smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(Nc1ccc(I)cc1C(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8900736 JHDMUQCIZLGQRO-UHFFFAOYSA-N 505.234 5.071 5 40 KKBB Clc1ccc(CN2CCCN(Cc3ccc(Cl)cc3)C2c2cc3ccccc3c3ccccc23)cc1 19319578 ILRCCCMLZKMQGT-UHFFFAOYSA-N 511.496 8.707 5 40 KKBB in-vitro O=C(Nc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3Cl)c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 33354627 JOVRWLOTZMZMGC-UHFFFAOYSA-N 713.490 7.819 5 40 KKBB O=C(Nc1ccc2sc3ccc(Cl)cc3c(=O)c2c1)C(=O)c1cn(Cc2ccccc2Cl)c2ccccc12 100241303 YZSACCIFLMSFMP-UHFFFAOYSA-N 557.458 7.546 5 40 KKBB Cc1nn(-c2ccc(Cl)cc2)c(O)c1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O 102835921 CDLQSCLUQYLFRN-RUZDIDTESA-N 550.402 6.069 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2s1)Nc1ccc([N+](=O)[O-])cc1 103765717 SSLMGSHOGJJUIO-UHFFFAOYSA-N 540.582 5.889 5 40 KKBB O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Oc1ccccc1Cl 103769887 SRXJXVLJZXJQNU-UHFFFAOYSA-N 534.796 7.096 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 103841445 KOGFYJCQFRKALX-KEPJHFNWSA-N 600.483 6.794 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 112247544 FEJBTYOTYRZBGK-UHFFFAOYSA-N 537.981 5.875 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222466243 POCJXVKMZUUXPI-HKBQPEDESA-N 665.168 5.147 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224547870 NBVXBHWRTZWZNH-VWLOTQADSA-N 588.488 5.844 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225142407 RFBHMHLZDVYDTD-SSEXGKCCSA-N 671.216 6.017 5 40 KKBB O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 247349250 VOJWIUIYLOAAIG-LUIYPFIDSA-N 610.453 6.883 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261029953 WYCYUINXMAYVKV-MGBGTMOVSA-N 658.752 5.628 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408643361 PGSOUMQTAJGSCN-ILBGXUMGSA-N 601.999 5.049 5 40 KKBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408650671 MQEDYYLVNUPDOP-XMNXRXSASA-N 585.616 5.506 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408651093 GKMCAUQPIUALOM-ZOMWRJOCSA-N 627.480 5.843 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1)c1cccc([N+](=O)[O-])c1 408655516 KWXBCQMULGOGOL-XXSMREGWSA-N 627.436 5.732 5 40 KKBB O=C(CCCCCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1cccc([N+](=O)[O-])c1 408658990 OPZGSIHXZLDZMD-BCBQGPIMSA-N 621.473 5.474 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1 408687016 OHQWOHUCTWOYHP-CYBMUJFWSA-N 607.230 5.410 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408851139 VOTXUONZLJYFKX-FUFNRSNVSA-N 587.654 5.062 5 40 KKBB Cc1sc2nc(-c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)nc(O)c2c1C 408993535 VZTKFMCNZFYANU-HDICACEKSA-N 617.734 7.029 5 40 KKBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCCCC1)C(c1ccccc1)c1ccccc1 409002737 PNXISAPFOBVDMZ-NDEPHWFRSA-N 513.638 5.683 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c2=O)=N1 409031138 IXPIBEWZRWKIGN-DXUGRCAZSA-N 692.190 6.126 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409076503 BATCQMFNPDKZLY-PBKKUYBVSA-N 747.418 5.899 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 409080516 FCWCYZGBLJRDFV-KEQCBNTKSA-N 637.095 5.419 5 40 KKBB O=C(O)COc1ccccc1[C@@H]1N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N1Cc1ccccc1 409118397 QAGJSORAWSZEDI-LJAQVGFWSA-N 523.545 5.420 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1Cl 409182372 KLCUOWFRUZMNRW-LSFURLLWSA-N 670.847 7.805 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(F)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 409182729 ORXMXSXANLKUSX-MHDNGKQISA-N 680.688 6.940 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccccc2)OC1=O 409188347 GXTFYFGJQWOHFJ-SYHWEURASA-N 519.307 5.321 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C 409340826 AZNQHYPOHNZPRS-OAQYLSRUSA-N 531.038 5.026 5 40 KKBB O=C(O)Cc1c(-c2ccc(I)cc2)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1 3377584 WIBFBAWYDPGPFN-UHFFFAOYSA-N 510.287 5.709 5 40 KKBB CC1(C)O[C@H](C(SCc2ccccc2)SCc2ccccc2)[C@@H]([C@H](O)COC(=O)c2ccc([N+](=O)[O-])cc2)O1 4991057 FHVAEXJDMFGHSI-CYXNTTPDSA-N 569.701 5.826 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 8426150 MQLLPVIAZSUWJJ-PKNHVDRJSA-N 637.442 5.538 5 40 KKBB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 39750523 UUVUZMBLVNADBT-VGOFMYFVSA-N 505.943 5.671 5 40 KKBB CCc1sc(NC(=O)c2cc3c(ccc4ccccc43)o/c2=N\c2ccccc2)nc1-c1ccc(Cc2ccccc2)cc1 97958748 AAZNWWCGPOPDSA-XENYIEROSA-N 591.736 9.347 5 40 KKBB O=C(O)CCC(=O)N1N=C(c2c(O)nc3ccccc3c2-c2ccc(Cl)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 102327673 LMEQUIJJMOJSMJ-HSZRJFAPSA-N 544.951 5.712 5 40 KKBB O=[N+]([O-])c1ccccc1-c1nc2c3cc(I)ccc3c3ccc(I)cc3c2[nH]1 102413028 HYQHIUADFGHVFL-UHFFFAOYSA-N 591.146 6.654 5 40 KKBB CCOC(=O)c1c(-c2ccccc2)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccc(OCC)cc3)cc12 102628731 ZIYMGDCZMTURGT-UHFFFAOYSA-N 614.632 6.619 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccc(Cl)cc1Cl 103628883 VTTYHCDHEHFIFU-QLTSDVKISA-N 539.419 5.379 5 40 KKBB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306278 XHTRLJZLKUYRDX-UHFFFAOYSA-N 533.635 5.143 5 40 KKBB O=C1S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(Br)cc1 106723683 FOECUHMJHFKSBM-GRSHGNNSSA-N 519.760 6.507 5 40 KKBB C[C@H](CCC(=O)NCCC[N+](C)(C)C[C@H](O)CS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118912954 HWYJEBSPZZWBMD-NERAKNLZSA-O 583.900 5.283 5 40 KKBB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](OC(=O)c4ccc([N+](=O)[O-])cc4)CC[C@]5(C)[C@H]3CC[C@@]21C 119086833 KZIYWQYTGHYKMG-SWXAPQOWSA-N 551.768 8.373 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 205814943 WBQJAVQPTLPXBJ-ZVHZXABRSA-N 616.433 6.414 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223803445 HJBDHHCVABFDOI-MHZLTWQESA-N 601.125 5.167 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224324918 XIXCMLSLAKJNKT-RUZDIDTESA-N 508.018 5.346 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 225284957 ZDSAWDMLKCSTRY-SXOMAYOGSA-N 543.605 5.320 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1F 225619492 XYNDXCBERBNLQN-CLJLJLNGSA-N 531.569 5.390 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1ccccc1 408571578 PCFLABRTMDYREU-QHCPKHFHSA-N 594.318 7.334 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)c1 408571620 PGLMNGNPTUAHJK-DEOSSOPVSA-N 539.455 6.336 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 408576576 XSZVKYSWZQPUOH-DEOSSOPVSA-N 557.445 6.475 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)cc1 408750735 RBFKZNKCLSKUFD-UHFFFAOYSA-N 504.549 5.044 5 40 KKBB O=c1/c(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 408767028 HWBVVQINLYORBE-VEPRTGNQSA-N 688.834 8.413 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408975423 JYTSEBDNRLAWSD-WWWKDLBZSA-N 548.664 5.503 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 409176113 HRLPJBQECYZKMV-YDZHTSKRSA-N 548.533 5.533 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(C(c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1 409177143 BUIRPOIGNZXRQO-ZAQUEYBZSA-N 870.711 10.476 5 40 KKBB Cc1c(C=O)c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(I)cc1 409250758 MTIKAVUDXUIPML-JJFYIABZSA-N 587.395 5.656 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409265285 RTNISDIXDLMYJF-WYMPLXKRSA-N 723.929 6.514 5 40 KKBB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 409333231 IMNVOJOQFHQEQL-DUPGQGGVSA-N 514.921 5.078 5 40 KKBB O=C(Oc1ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc2c1)c1ccc([N+](=O)[O-])cc1 1807420 SLSFNNUKUAMROA-UHFFFAOYSA-N 550.239 6.494 5 40 KKBB O=C(CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12)OCc1ccccc1 70665286 GDQUPPLAMIXMDC-MUUNZHRXSA-N 565.578 5.670 5 40 KKBB biogenic C[C@H]1N(C)c2cc3c(cc2C1(C)C)[P@](=Nc1cccc([N+](=O)[O-])c1)(N1CCOCC1)OC(c1ccco1)=N3 97984746 NTPKTTLMGLANLN-ITUROAMUSA-N 535.541 5.733 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 97998474 FAKLIXKZEZPFMC-UHFFFAOYSA-N 574.818 8.271 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 100367848 NVOYYICREMSRDL-FOKLQQMPSA-N 600.403 6.090 5 40 KKBB Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)c1 101128623 KEIOUNZRSOINTR-PKTNWEFCSA-N 549.539 5.174 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@H]3C2=O)cc1 102859622 MTYNENLYGAFTQZ-OLUZHXLYSA-N 623.618 5.663 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 103628889 TXIRARWKKXIPRZ-HQQOBVENSA-N 583.472 5.533 5 40 KKBB CCCOc1c(I)cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC 106727041 ZIIBEIRZMQDCOJ-WQRHYEAKSA-N 554.362 5.233 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1 164515403 MQTSXWYJQJMWQC-GWXNNEATSA-N 661.736 5.822 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 214181711 AQESHTFVGHMBPF-FSJBWODESA-N 510.955 6.072 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 215976195 SKVIUPZUWVGTBQ-UHFFFAOYSA-N 665.168 6.949 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223375451 AAFULMBRNBGUPP-QDPGVEIFSA-N 533.694 5.691 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224384571 ILTSIRUDCGJZIJ-RUZDIDTESA-N 554.043 5.190 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccn(-c4ccccc4)c3)cc2)cc1 224790833 FGKFHRGQXPCIRR-WDYNHAJCSA-N 549.681 7.109 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccn(-c4ccccc4)c3)cc2)cc1 224790876 FGKFHRGQXPCIRR-URLMMPGGSA-N 549.681 7.109 5 40 KKBB COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224989373 QXVMYHIRPXGTLT-VWLOTQADSA-N 636.771 5.016 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1 225058376 DSOKDTQVUNLSIG-RRPNLBNLSA-N 529.622 5.733 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1NC(C)=O 225328878 NMKMFGJSWYSRSM-FTJBHMTQSA-N 529.578 5.394 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225511946 UWUJJUQCPQFQGX-PMERELPUSA-N 675.635 6.065 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 225556309 HNOVCIIFCOQVOE-NSOVKSMOSA-N 540.649 5.344 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 247297530 CZIWASWPOFICDG-LUIYPFIDSA-N 576.008 6.230 5 40 KKBB O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247306606 GYBZXUJTJFNGAH-GYPIRZFJSA-N 610.453 6.883 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260894431 GLEUQFXKNZRLSG-PGUFJCEWSA-N 767.732 7.503 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3F)c(Cl)c1)[C@@H]1CCCN12 408570113 ZDRAXMIFDRZPFH-TUPPOGIXSA-N 507.949 5.113 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 408637759 BBQDRFOCXFZEQS-ILBGXUMGSA-N 608.434 6.275 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408643991 QKTLZMJJRIIWIG-ZCYQVOJMSA-N 636.444 5.702 5 40 KKBB CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 408657439 UDDFVLJQYNGERI-MUUNZHRXSA-N 670.718 8.284 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408754793 IORLUZPWAWCBJE-VEOKEAFVSA-N 708.705 5.562 5 40 KKBB O=c1/c(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408758145 VWOBEEBUDWTEBU-YVBHXKDBSA-N 644.934 6.903 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409032190 LJWOSUYBEGGWJI-PGUFECHJSA-N 801.068 5.652 5 40 KKBB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409097568 MOICAJCYKUKHLG-NVMNQCDNSA-N 519.273 6.448 5 40 KKBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc(Oc3ccccc3)cc2)cc1 409112725 CEVQNIHJTMVKRS-UHFFFAOYSA-N 505.368 7.341 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc(Br)cc4)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409162515 WEEPTBONAKKZHP-JBDHCHCMSA-N 648.535 5.356 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 409179033 OXKLJMDYETYIAM-CSKPTYFESA-N 572.184 5.144 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409230880 GXEFPLBHLUNGQA-WSDLNYQXSA-N 552.381 5.346 5 40 KKBB C[C@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc2ccccc2c1 3356465 HNIOSCVLAZVGCG-INIZCTEOSA-N 540.519 7.102 5 40 KKBB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)c1 8792266 DRHTVPKCCGBYFX-KRWDZBQOSA-N 505.530 5.175 5 40 KKBB biogenic Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 8833158 LGCMQGQBVKFGOY-UHFFFAOYSA-N 501.568 5.438 5 40 KKBB CCOC(=O)C[C@@H](NC(=O)CCCc1cn(Cc2ccccc2)c2ccccc12)c1cccc([N+](=O)[O-])c1 8846742 GBWCEQSXJCVABS-HHHXNRCGSA-N 513.594 5.731 5 40 KKBB CC(C)C1=C[C@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2[N+](=O)[O-])C(=O)[C@H]13 101075055 YGUPHSYJUKWQMM-BCFFICFCSA-N 520.626 5.610 5 40 KKBB O=[N+]([O-])c1ccccc1SN[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl 102580406 VURUKHBYKDGOFF-CYBMUJFWSA-N 530.684 5.637 5 40 KKBB O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)[C@H]3C2=O)cc1 102712929 ZPYUWLTTYHWHBP-DSITVLBTSA-N 541.541 5.073 5 40 KKBB CCC1=C[C@@](C)(CC)N(Cc2ccc([N+](=O)[O-])cc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 105513124 FOJCULUQNAYOAL-LDLOPFEMSA-N 578.756 9.960 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1 111465626 HVDFKCHSFANVBU-ZHGFHMGHSA-N 591.645 5.412 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3cccc(OC)c3)n2-c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 150393694 XETVBZOXWSZBKG-GOSISDBHSA-N 664.766 5.350 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 150459165 QLILIUKZJVGRAQ-FMCGGJTJSA-N 619.471 5.679 5 40 KKBB COc1cc([C@H]2c3c(C)nn(-c4ccc(C)cc4)c3N=C3C(Cl)=CC(Cl)=CN32)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 150464142 PUDNKYVOESALKE-NDEPHWFRSA-N 652.516 6.825 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc(Cl)cc1 215004233 IJIIWHVEHLPUTO-WSDLNYQXSA-N 589.851 6.835 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223295682 UMTRDJYSFDCLQH-HKBQPEDESA-N 713.640 6.190 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(C)cc1 408567151 GPHUWRVKXXGELD-SANMLTNESA-N 613.534 6.743 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 408571383 OOUQJGULWAHGNA-GDLZYMKVSA-N 619.541 7.579 5 40 KKBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408652932 PFLMKHDIJANJTE-PDWSDUJXSA-N 606.034 5.769 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409084594 WVWGNCHMSLFTGR-ZCWBPALNSA-N 682.549 5.445 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O 409183809 SXLGPMSUGGCPSW-AREMUKBSSA-N 540.915 5.830 5 40 KKBB COc1ccc(Cl)cc1C1=N/C(=C\c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O1 409189487 PPIAYBNSGVPVAI-ODLFYWEKSA-N 557.740 5.583 5 40 KKBB COc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 409191764 MQJCHRNIZMLCDO-IVEZPLFTSA-N 628.229 6.092 5 40 KKBB COc1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409194193 OHQPRGMVBAVMOT-ZUXDRYNTSA-N 549.333 5.329 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409199705 JFDAQOBCNPONMI-YDZHTSKRSA-N 584.006 6.058 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(F)c(Cl)c1 409226774 WVDGBYWVEIFBBT-MYKKPKGFSA-N 564.982 6.065 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409355806 DZCPPSMTIKWBID-IVQFASICSA-N 606.704 5.326 5 40 KKBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4sc5c(c4C(=O)OC)CCCC5)c(CC)nc32)cc1 2596759 PQWPAUDGPYWLIO-UHFFFAOYSA-N 579.682 5.961 5 40 KKBB O=c1c2ccc(S(=O)(=O)c3ccc4c(=O)n5c6ccccc6nc5c5cccc3c45)c3cccc(c32)c2nc3ccccc3n12 5479283 PAZQQCMVOCVSQF-UHFFFAOYSA-N 602.631 6.330 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(CNc2ccccc2Cl)n1-c1ccccc1 6280787 KVOQXDQCKXAXIY-QGZVFWFLSA-N 523.018 5.869 5 40 KKBB O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 9554154 DISVTLJTSNXMBJ-UHFFFAOYSA-N 512.944 5.052 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 9972139 ROAFDWYAXDXQST-SOFGYWHQSA-N 509.843 5.427 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 58506294 IODFOBPZJQDETA-CILKRHGOSA-N 559.553 5.590 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1[N+](=O)[O-])N1C(=N2)C(N2CCN(c3ccc(F)cc3)CC2)=Nc2ccccc21 96022065 OTXVKVYOYPLEHG-YTTGMZPUSA-N 612.669 6.733 5 40 KKBB O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 97959885 VVTQKGMGMLFLLW-UHFFFAOYSA-N 620.062 5.264 5 40 KKBB CC[C@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 100052721 DYGSLDJMGUBSDS-XCBLRWGCSA-N 506.558 5.701 5 40 KKBB COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1[N+](=O)[O-] 100300622 IQDPUKGPTQOGHS-UHFFFAOYSA-N 518.885 5.470 5 40 KKBB Cc1ccc(C(C)C)cc1CN1C(=O)[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2cc(Br)ccc21 101091275 FAQSBFYMTGRQFB-MHZLTWQESA-N 537.410 5.797 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 101249803 ZKUCCZHPJRVQSP-KIHHCIJBSA-N 533.462 5.012 5 40 KKBB O=C(c1cc(Cl)ccc1[N+](=O)[O-])N(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1c(Cl)cccc1Cl 102227145 OKBCPRUXGRMPMU-UHFFFAOYSA-N 529.119 6.604 5 40 KKBB COCCn1c(=N)c(-c2nc(-c3cccs3)c(NC(=O)c3ccc(C)cc3)s2)cc2c(=O)n3cc(C)ccc3nc21 102621530 VVGHGLVSNDGOBL-UHFFFAOYSA-N 582.711 5.496 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1Br 103540266 SKBFYJCKVOADAM-XPGKHFPBSA-N 588.414 5.073 5 40 KKBB COc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(F)cc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 103781235 NSPFDSOJLFTBKC-ITNPZBTBSA-N 579.609 5.635 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 104659529 HDNOUUQZJIQCPE-XNMXCUJWSA-N 601.684 5.815 5 40 KKBB Cc1cc(C(=O)Oc2ccc3ccccc3c2Cc2c(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc3ccccc23)ccc1[N+](=O)[O-] 150409799 XFLYGNHVVFXIBZ-UHFFFAOYSA-N 626.621 8.455 5 40 KKBB CC(C)(C)c1cc(C(=O)Nc2ccc3oc4ccc(NC(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4c(=O)c3c2)cc(C(C)(C)C)c1 150452833 NDMVUQZEKUFNSY-UHFFFAOYSA-N 658.883 10.641 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 215270426 BHLTZLYYMGHOFL-AUEPDCJTSA-N 607.841 6.974 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223451329 RZZPKVKMZWCDNE-OAQYLSRUSA-N 526.486 5.857 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224085537 OLKIQMYVLIJXKQ-UMSFTDKQSA-N 672.804 5.582 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224999325 OIJZVWQTNQTXMG-UMSFTDKQSA-N 798.156 7.222 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(C)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 253564560 GQODMJYYOYZESC-IEROYTCOSA-N 644.727 7.709 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261112027 YAJKJLUXEBRULS-RTWAWAEBSA-N 665.596 5.746 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 408568793 UPPGNJFRJGZCEK-JDKFTNMGSA-N 532.811 5.794 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Br)cc1 408572397 RAICCAWMZVKOKN-XMMPIXPASA-N 648.377 7.107 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)cc2)cc1 408649013 XAXBPGRFSRDVFC-UHFFFAOYSA-N 737.357 6.821 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 408661170 BIERRISXEXFHMM-RGZWJVDOSA-N 512.559 5.017 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 408725411 HWVUKIYWWRETSD-MJASDKGPSA-N 665.724 5.456 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cn(S(=O)(=O)c5cccc([N+](=O)[O-])c5)c5ccccc45)c(=O)n31)c1ccccc1CC2 408770577 ZEIDKNNMLPRGKI-HWANIQDNSA-N 674.760 5.427 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408829641 OIEGMTJUQSLRED-LCQSEVKBSA-N 725.561 5.207 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409076842 CBOKYPNFCKWZIQ-INJWXVQMSA-N 682.549 5.445 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc5ccccc5c4)c(OCC)c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 409087468 UHAVDLNGSPAONE-DXUGRCAZSA-N 775.621 6.442 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 409179106 KEBRXAUBHBKWFQ-UHFFFAOYSA-N 563.349 6.852 5 40 KKBB COc1cccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 409191807 NSSKTWPPZNVFFD-JAIQZWGSSA-N 602.191 5.692 5 40 KKBB O=C(CN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)Nc1ccccc1F 409212033 LLQFPHRCJHZAJT-SRZZPIQSSA-N 648.239 5.369 5 40 KKBB c1ccc(C(=C(c2ccccc2)c2ccc(-c3cnc4c(ccc5cccnc54)c3)cc2)c2ccccc2)cc1 2048532869 BNDJPEALBWNQFN-UHFFFAOYSA-N 510.640 9.457 5 40 KKBB CCOc1ccc2nc(S[C@@H](C)C(=O)N3CCN(c4nc5ccc([N+](=O)[O-])cc5s4)CC3)sc2c1 3671226 UVVFFWQCSUZHCN-AWEZNQCLSA-N 529.669 5.042 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@H]2C1=O 18066686 KJUKQSBCDHJAIR-WYYWNUCKSA-N 501.583 5.918 5 40 KKBB O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59331505 SIHVOLWDFVZNCS-UHFFFAOYSA-N 519.608 5.304 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc2c1Cl 97949274 FVDSLRDHXFLGEH-UHFFFAOYSA-N 711.676 8.546 5 40 KKBB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Sc5ccc(Br)cc5)cc([N+](=O)[O-])c4)c3N2)cc1 97985358 ZLGYBQFQIRSPMG-ZEQRLZLVSA-N 632.462 7.926 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1NC1C2CC3CC(C2)CC1C3 100369690 ZTAKJCWEKOXMTO-UHFFFAOYSA-N 565.523 5.649 5 40 KKBB O=C(OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 100390709 LFIIYFNPEOPSCZ-VXKWHMMOSA-N 534.952 6.077 5 40 KKBB O=C(Oc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(F)cc2)c2ccccc12)c1cccc([N+](=O)[O-])c1 102628706 LZMXIDGZTNZOLH-UHFFFAOYSA-N 615.551 6.050 5 40 KKBB CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2c(Sc3ccccc3[N+](=O)[O-])c(C)nn2-c2ccccc2)cc1 102919419 RQTXRYHETLBUHB-UHFFFAOYSA-N 566.661 5.490 5 40 KKBB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])n2-c2ccccc2)c1 103006138 XFRYCKWLXNZXAC-UHFFFAOYSA-N 601.110 5.257 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105313218 IHHXONBXOVWOJS-UHFFFAOYSA-N 553.600 5.520 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 105321620 QRXBPBILPYKDFJ-WUXMJOGZSA-N 525.392 5.516 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150395698 PTJVGJKGLLHLTP-POKSHJSXSA-N 637.670 5.121 5 40 KKBB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)Nc1ncc(Cc2ccc([N+](=O)[O-])cc2Cl)s1 150422231 ODROKCQVMKNSAY-UHFFFAOYSA-N 624.169 6.666 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c2=O)=N1 164200907 DEDBPNHILXOGEQ-TZUCAZQYSA-N 895.510 6.292 5 40 KKBB COc1cc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 164810131 SWLVATJEYJWLMZ-UHFFFAOYSA-N 677.495 5.803 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225084064 MUWGQBLJKOCYLB-GDLZYMKVSA-N 685.243 6.325 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225736442 ZPVXMZOPBFDZQM-FQRUVTKNSA-N 714.068 6.789 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225745201 RQYIFKSFUHDRIB-QRWLVFNGSA-N 526.417 5.011 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260978191 ASCIPKBRDNSZCJ-GOXGLGGOSA-N 707.647 6.107 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408569709 XCPBFVVEUNZNFH-WSNNEZGNSA-N 532.811 5.748 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)cc1 408570874 MDQGRFVTAMULHW-XMMPIXPASA-N 557.445 6.475 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1 408571022 MVKOQZUXGMIJQI-AREMUKBSSA-N 587.073 6.855 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 408575027 VNWQZCRNTINLAP-HSZRJFAPSA-N 549.867 7.225 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)cc1C 408577363 ZBBKGYWMTILXDJ-VWLOTQADSA-N 571.472 6.783 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 408619710 HANRDFLGYNMORU-BIQRORRISA-N 510.977 6.289 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]32)c2ccc(OC)cc2)cc1 408620413 ITFUCWRIHLCKGW-TUJIQRHUSA-N 542.975 5.689 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c(OC)c1 408979422 QMWGLAJSVFLCDL-FFWTUWPMSA-N 692.750 5.387 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408990439 VXNNCDUEORAQCO-NOZLNSQSSA-N 725.404 7.173 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409082630 MRORZNAULYTFNS-JBDHCHCMSA-N 664.534 5.057 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc5ccccc5c4)c(OCC)c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 409087470 UHAVDLNGSPAONE-KOHOJCOXSA-N 775.621 6.442 5 40 KKBB CCCOc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409141674 WIKIRSUEMASBMP-SSEXGKCCSA-N 507.590 6.745 5 40 KKBB Cc1ccc(CN2C(=O)N/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 409239088 BSZYTDZKYHNXGM-WSDLNYQXSA-N 601.251 6.100 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409347111 MCAALULNMCCWQS-MIUGUJGPSA-N 739.588 5.597 5 40 KKBB CC(C)(C)c1ccc(OCCOc2cc(Br)ccc2/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])cc1 409389004 OKQDASWEBVHSAK-VZUCSPMQSA-N 530.375 5.484 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccc(Br)cc4Br)c([N+](=O)[O-])c3)C2=O)o1 409398275 CLARQDGAOQFPCG-WSVATBPTSA-N 665.247 5.180 5 40 KKBB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)c1 1316290 QJTICNCAZQDWIA-BKKFENPESA-N 542.979 5.019 5 40 KKBB Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1cccc(Cn2nc(C)c([N+](=O)[O-])c2C)c1 2735589 NHWZXPDKPUHTPG-UHFFFAOYSA-N 548.472 5.266 5 40 KKBB Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(Sc4cccc5cccnc45)c3)CC2)cc1 8781026 QGKJJKJDCYTRQU-UHFFFAOYSA-N 520.636 5.114 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1SCc1ccco1 9720477 VDQZELCCFBXAOJ-UHFFFAOYSA-N 509.609 5.144 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)cc1 22825676 LRLWCEIBUWTVFZ-UHFFFAOYSA-N 502.571 5.234 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)cc2[N+](=O)[O-])CC1 59294120 BGDHIDIKBYWWNF-UHFFFAOYSA-N 513.642 5.406 5 40 KKBB COc1ccc2nc3cc(Cl)ccc3c(SCC(=O)Nc3ccccc3-c3ccccc3NC(=O)CSc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1 95550147 PYKZBIUZNLXPPS-UHFFFAOYSA-N 815.804 11.542 5 40 KKBB Cn1ccnc1Sc1ccc(/C=C2\C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)O)cc1[N+](=O)[O-] 97981443 KCKLVTIYTVIANC-BIRYMOPTSA-N 528.634 6.875 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N=[P@@](Oc1ccc(Br)cc1Br)(c1ccncc1)C(C)(C)C 97984917 LEURASKLDJJWRG-JGCGQSQUSA-N 583.217 7.474 5 40 KKBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1 100358934 TXUJUNHSWSTBCD-UHFFFAOYSA-N 594.159 5.788 5 40 KKBB O=C1OC(c2ccc(NC(=O)c3cncc(Br)c3)cc2)=N/C1=C/c1ccc(Br)c([N+](=O)[O-])c1 100948014 WCSDVMZQCXMDCY-CNHKJKLMSA-N 572.169 5.112 5 40 KKBB CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(O)=C2[C@H]1c1cccc([N+](=O)[O-])c1 102930628 WGUZESRLKNRDEF-WNSROMTISA-N 565.714 9.023 5 40 KKBB C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)CO[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 103556734 MUIYIOFPLUSVHU-XSEPWZHSSA-N 604.656 6.596 5 40 KKBB C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)CO[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 103556748 MUIYIOFPLUSVHU-FAYNIKLESA-N 604.656 6.596 5 40 KKBB O=C(Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1)c1cccc(Cl)c1 109951724 JSLPQZZQKPGGBH-UHFFFAOYSA-N 533.791 5.390 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224558899 NJSSHKSSEZPMEZ-WJOKGBTCSA-N 697.641 6.652 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224690579 DCGDULVVFQSOPT-FQEVSTJZSA-N 696.020 5.465 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)cc1 224787543 QFQPHKLVNQIRGW-FQLXRVMXSA-N 619.555 8.885 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225063752 KADQRWFDTGBCQU-AREMUKBSSA-N 574.530 6.300 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408566460 OHUBQQSZSAXIBZ-OTGIWPJISA-N 586.870 5.602 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 408572322 QWPUCRNEJUNIAC-QHCPKHFHSA-N 547.439 7.019 5 40 KKBB COc1ccccc1Oc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 408636605 BAJBHIHUEOHCAI-HSZRJFAPSA-N 610.575 5.394 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)c(C)c2)CC1=O 408668818 RDAMCOPADCZGSA-LBPRGKRZSA-N 653.258 6.285 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408678186 CSLAJBBLCSBOPT-ZYNNUQKQSA-N 624.091 5.599 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408837717 LYTJCASEUNFIAA-WLJFKGHSSA-N 603.962 5.162 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408873073 MOMFXIMHCJPQIO-UUYOSTAYSA-N 545.400 6.726 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 409182058 IFERSNMWPPIUKO-YDZHTSKRSA-N 548.533 5.533 5 40 KKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)o1 409232402 OTBSICJRFDVIKF-RGVLZGJSSA-N 513.915 5.192 5 40 KKBB O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1CCC1CCCCC1 585265291 HEAKPTCNBLFYQD-UHFFFAOYSA-N 591.734 5.476 5 40 KKBB Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Br)cc3)C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 6189041 ZJIICSOSGNTPRR-QFIPXVFZSA-N 500.374 5.206 5 40 KKBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OCC)c([N+](=O)[O-])c4)ccc3o2)cc1 16692005 ZXESLMFEYBTQEJ-UHFFFAOYSA-N 506.540 5.327 5 40 KKBB CCOC(=O)c1c(C)oc2c(Br)cc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc12 101696829 XSDQFUJLSZLRRW-UHFFFAOYSA-N 517.741 5.043 5 40 KKBB O=C(NCc1ccccc1)C1CC[N+](Cc2csc(Nc3ccccc3)n2)(Cc2csc(Nc3ccccc3)n2)CC1 102704697 ALWIBHSJBUWDPU-UHFFFAOYSA-O 595.818 7.330 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1c(-c2ccccc2Cl)noc1C 103629541 JRMMRSHGEUNNIG-MJPNWULPSA-N 594.027 5.232 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n31)c1ccccc1CC2 104655248 KDWKRGKNCXCVQY-ACHQHTMYSA-N 601.684 5.815 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(SC)cc1 105499381 CZQFHDFAVGSJGU-HDFSHUSISA-N 550.705 5.827 5 40 KKBB Cc1ccc(-c2ccc(C(=O)NC(=S)N3CCN(c4ccc([N+](=O)[O-])c(N5CCCCC5)c4)CC3)o2)cc1Cl 109318765 NUTJPQRPFAPXNM-UHFFFAOYSA-N 568.099 5.644 5 40 KKBB Cc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)Nc3ccc(S[C@@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)c4ccccc4)cc3)o2)cc1 150483259 WEAVAUKNFJBWMH-RNCYYTJHSA-N 708.796 9.045 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 224076811 PXTIOXPPJSXTFC-CLJLJLNGSA-N 551.024 6.106 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225022663 SJJCXGTUZLEMCO-YTTGMZPUSA-N 772.118 6.688 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1 225058422 DSOKDTQVUNLSIG-SVBPBHIXSA-N 529.622 5.733 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225091601 NMIWTNIWYBNQKY-UMSFTDKQSA-N 788.150 7.766 5 40 KKBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)cc1 229605279 KHCJVOYEERZCRS-CPJIJYJCSA-N 599.599 5.502 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 260882370 COIWXYPXHIMWJW-PGUFJCEWSA-N 684.815 5.888 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260900985 HZCOBIDVYJJBDD-UUWRZZSWSA-N 654.789 5.879 5 40 KKBB CCn1c2ccccc2c2cc(NC(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc21 408626927 YHTOKUWIJNWJPR-UHFFFAOYSA-N 572.643 5.874 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408682193 JDNCFRCZDFWOTD-HCXPYDJZSA-N 598.442 6.351 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 408720235 JSALIIMZTHFSPB-QYRZKEDASA-N 541.003 6.354 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729535 GOFMSPNYCJPEDQ-JJHILCALSA-N 690.561 6.852 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408764450 ISJILRWYGAABDN-SLZKQOKCSA-N 708.705 5.562 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc([C@H]4N[C@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 408992462 SAVHFTUBLZVTSD-JTSKRJEESA-N 573.077 6.050 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(s/c(=C/c3ccc(Sc4ccc(Cl)cc4)o3)c2=O)=N1 409092729 WJGFHTXHHTZLTB-BLJGQIRFSA-N 596.086 5.493 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409104015 IDBSCKNOODLDFA-KMBIYUNPSA-N 611.507 5.579 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 409123080 DQLXDJCNPOWTII-UHFFFAOYSA-N 517.563 5.251 5 40 KKBB CCCOc1ccc(Cl)cc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 409156542 OROSSPQKPDYCBD-CRCYZHLCSA-N 608.072 5.327 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)o2)cc([N+](=O)[O-])c1C 409175128 QHAUKDAEKOVGTG-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 409180731 UVSHHFJYSASODR-UHFFFAOYSA-N 528.473 6.009 5 40 KKBB CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)O2)cc1OCC 409188861 BEGKBOIKNUKVOJ-VXAIQDGOSA-N 558.543 5.364 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409353371 JUGMTWUOSSYANB-IPAKXIGBSA-N 774.033 6.251 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409355535 DGWMAHZWNXVPFZ-WQNUKSJVSA-N 760.006 5.861 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)c1ccc(Cl)cc1Cl 3671614 FHTVBWNERVFDRY-UHFFFAOYSA-N 544.397 6.287 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 8426134 QFNUMOYWXUNSHZ-XVJPVSGASA-N 637.442 5.538 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 8426147 MQLLPVIAZSUWJJ-NMEUQEADSA-N 637.442 5.538 5 40 KKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cc([N+](=O)[O-])ccc4Cl)o2)N3)C1 8920361 LZYGAOYWDMSBJF-XMHCIUCPSA-N 500.020 7.540 5 40 KKBB O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)cc1)c1ccc([N+](=O)[O-])s1 9446028 VOPFJUYYOHISKS-UHFFFAOYSA-N 508.537 5.721 5 40 KKBB Cc1c(OCC(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCCC(C)C)C2)ccc2c1oc(=O)c1ccccc12 79204368 VDLDQAOJUODQEB-FVQSQUBJSA-N 652.916 10.587 5 40 KKBB biogenic CCOC(=O)N1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 98005166 UCRFUZDTUCGYSM-UHFFFAOYSA-N 586.626 6.468 5 40 KKBB Cc1cc(C(=O)Nc2ccc3oc(-c4cc(I)ccc4Br)nc3c2)ccc1[N+](=O)[O-] 100363546 OYODNJNHUZTSSE-UHFFFAOYSA-N 578.160 6.331 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1 100949642 LXSBDGTXASLBKB-ARLGEPFESA-N 526.014 5.998 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 101938434 CFYZFQWHDUANSE-PKYOQBLNSA-N 599.590 6.506 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C(=O)c1ccccc1-c1ccccc1)[C@@H]1OC(=O)c2ccccc21 102920658 YXKBCIIQJQYDFH-LBNVMWSVSA-N 520.497 5.180 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc4c(c3)OCO4)CCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 102968102 VXGNXCVRIIXHSM-GBVNUPCTSA-N 610.623 5.326 5 40 KKBB O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105316312 BEVDRBMVFHZXRD-UHFFFAOYSA-N 607.136 5.328 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1cccc(OC)c1 111469925 IJVAQCIRBCOQRJ-POKSHJSXSA-N 621.671 5.421 5 40 KKBB O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc2ccccc2c1Cc1c(OS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc2ccccc12 150410476 WQLGTANLHJLTKP-UHFFFAOYSA-N 670.677 6.936 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 150502491 AOYVRUQHHCREIZ-RIFKOAFWSA-N 772.577 6.327 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 163197557 QLOBFEUKRKBPEH-AHDXEZHLSA-N 631.710 5.823 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223383468 LTYLRRISWBPPPC-VWLOTQADSA-N 679.623 6.136 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 224715657 WHLWIYRUTBUBAX-KYJUHHDHSA-N 547.640 7.058 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225491091 QGRREINCRCDNRE-LJAQVGFWSA-N 691.634 5.765 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1 226628923 YUBUBTHBZIIYES-NQCYILGJSA-N 662.698 6.801 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261013332 SXQZLBSNQGJOON-JOCHJYFZSA-N 643.162 5.237 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261074444 QFDUYTQOERNWDD-VXKWHMMOSA-N 675.602 5.202 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408730188 FXXYMZFYOSOWIZ-QFMXGDCESA-N 690.664 6.241 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408872064 JVXWAKPUNBCBAP-CFRMEGHHSA-N 601.559 6.266 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408933882 AUVGQCGZOMQVDB-OBDCIHEFSA-N 648.137 5.726 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409091315 SPAZBELYUOQMQK-KAEGSSFASA-N 708.587 5.455 5 40 KKBB CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCC)=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 409159321 SPXRPHFVPFBLKM-GSASKQFNSA-N 679.751 6.210 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409197426 FDNKLEKYOPLZFS-OPEKNORGSA-N 656.467 5.391 5 40 KKBB COCCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409246212 GLIHUZUBGFFZGU-XDHOZWIPSA-N 507.362 5.009 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(I)cc1 409266320 XWPFDJHTZHJSOM-UUYOSTAYSA-N 694.301 6.216 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)C2=O)cc1Cl 409269710 LZAQDECBHNHTNJ-NHDPSOOVSA-N 570.967 5.128 5 40 KKBB C[C@@H](CCc1ccccc1)NC(=O)c1nnn2c1sc1c(C(=O)N[C@H](C)CCc3ccccc3)nnn1c1ccccc12 1409699 ZCEPTJLIXJJSPG-SZPZYZBQSA-N 592.729 5.051 5 40 KKBB COC(=O)c1c(NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 1787362 QNVGSFGFNWFCDG-LBPRGKRZSA-N 525.421 5.374 5 40 KKBB O=C(CSc1nnc(COc2ccc(Br)cc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 6474808 IMVOLVLEZIYTBN-UHFFFAOYSA-N 540.399 5.248 5 40 KKBB O=C(Cc1cccc2ccccc12)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 9062470 LXXQEBVLHKDSEO-UHFFFAOYSA-N 509.547 5.700 5 40 KKBB CC(C)Oc1cccc(CC(=O)N2CCC[C@@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1 14952198 RPDFDSQFBCJTDY-PXODCTBUSA-N 620.685 8.226 5 40 KKBB investigational O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F 29491215 LVXVWHULHYTTJG-MTJSOVHGSA-N 500.960 6.775 5 40 KKBB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1 33354957 ORKIHRWQYUITAZ-JXBUFBJBSA-N 581.739 5.081 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 100338786 AGDMIOYMTAUYHW-MFKUBSTISA-N 547.589 5.556 5 40 KKBB Cc1ccc(C(=O)Nc2ccc3oc(-c4cc(I)ccc4Br)nc3c2)cc1[N+](=O)[O-] 100360539 CQFNFFQEMLUJPQ-UHFFFAOYSA-N 578.160 6.331 5 40 KKBB O=C(c1ccc(F)cc1)[C@@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101670528 KYSWBXRMYWBYRO-TVNXZVQQSA-N 559.553 5.716 5 40 KKBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)OCc3ccccc3)ccc12 102497642 ZLNJVIKFWHLMLD-GDLZYMKVSA-N 562.578 5.879 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C(=O)N1c1ccc(Cl)cc1 102710030 ACWZLUCEXNVHEH-SDHSZQHLSA-N 531.977 6.028 5 40 KKBB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 103060291 VLVWQRUSEYKBKW-UHFFFAOYSA-N 547.608 5.215 5 40 KKBB CC1=C[C@H]2N(c3ccc(C)cc31)[C@H](C(=O)c1ccc(C)cc1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 103545920 XLAZJFUBGHRGIC-CWDXJPQLSA-N 583.644 6.458 5 40 KKBB Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 103552788 WMZUMKLGYFTYLW-ACIRYHQQSA-N 535.600 5.492 5 40 KKBB O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305741 VDFPFSOHEFAGEH-UHFFFAOYSA-N 536.013 6.174 5 40 KKBB Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 105305950 XMBOEPVTAJOWIV-UHFFFAOYSA-N 529.626 5.063 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 150394727 QHXMMTBEONOFLB-JOHYPREOSA-N 647.709 5.431 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 150396285 ABZWGEZKUXKDEW-JOHYPREOSA-N 633.726 6.536 5 40 KKBB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224248456 BLQXJVOXINHIDZ-RUZDIDTESA-N 631.151 5.012 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224333258 JYXZDYYMTITHCH-FQEVSTJZSA-N 700.041 6.257 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224378195 ZWFWJGVUXFJMKV-HKBQPEDESA-N 693.620 5.719 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224497752 LPSYSRWLGYPSKK-MUUNZHRXSA-N 647.581 5.963 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4cc(C)c(C)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(C)cc2)cc1 227545309 BXIBVESOCILULD-PEMRLZPOSA-N 504.586 6.252 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 229950395 SEXAKKNDQXAJDL-IEROYTCOSA-N 676.725 7.109 5 40 KKBB CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408562936 SKVLAYPNYXURET-FLFQWRMESA-N 509.371 6.053 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408563384 AHHGCINZZXOTEL-ZVFGGPEJSA-N 578.463 5.400 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)c(Br)cc1OC 408565440 BWIIZRGGJSOUEU-HXUWFJFHSA-N 507.410 5.164 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408569222 JDZDPGHGKWCFNI-XMMPIXPASA-N 584.452 6.244 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C(=O)O)n[nH]2)c1 408634245 SRGCASWDIIQSNY-FOKLQQMPSA-N 550.618 6.075 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1 408736666 DXTQWWMEMSYTQI-GDLZYMKVSA-N 532.600 5.883 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408835042 VWSMUJBBIWFAAH-UPWSPCOFSA-N 668.555 5.991 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408848519 ZLHIKPOTXANUER-FUFNRSNVSA-N 587.654 5.062 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408918916 QOZQHDVPWLDUTA-SRZZPIQSSA-N 730.172 7.540 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)c1ccc2c(c1)Cc1ccccc1-2 408980558 FOEIOOUHZPQUJE-UHFFFAOYSA-N 563.616 6.551 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccc(OC)c1 408992928 UDVOQSOCJOFLEQ-NXYYLBPMSA-N 678.679 5.553 5 40 KKBB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409023045 BXAGMKIJRLFSRG-VCHYOVAHSA-N 554.362 5.232 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Cl)cc1Cl 409183279 RDISMOULZMNQOP-UHFFFAOYSA-N 563.733 5.404 5 40 KKBB CC(C)c1ccc(CNc2cc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)ccc2[N+](=O)[O-])cc1 8781111 DGQPLNUQKLBGAW-UHFFFAOYSA-N 529.062 5.495 5 40 KKBB CC(C)CCNC(=O)C(=Cc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1)C(=O)NCCC(C)C 14359849 YROLMZYVJHBETI-UHFFFAOYSA-N 523.674 6.393 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 59331825 BQCXUCZMZLVQNY-UHFFFAOYSA-N 520.973 6.269 5 40 KKBB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 59428124 WTWVYVFOLLWYAZ-UHFFFAOYSA-N 505.067 7.878 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Cl)c1OCc1ccccc1 101346916 OBQTUZMERTUGEI-UCQKPKSFSA-N 524.982 6.462 5 40 KKBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1ccc2c(c1)c1ccccc1n2CC 102885036 VEFNOSJSVTWICZ-UHFFFAOYSA-N 562.677 7.217 5 40 KKBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1cccc(Br)c1 103091092 XQRJQIYVBUCRFO-UHFFFAOYSA-N 559.225 5.498 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1 106738946 KALHYGGQJGMPIR-XKZIYDEJSA-N 555.406 6.181 5 40 KKBB Cc1ccc(OCCN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 106782535 PMOMKLJHSOIKNK-QQXSKIMKSA-N 513.575 6.022 5 40 KKBB O=[N+]([O-])c1ccc(OP(=O)(Oc2ccc([N+](=O)[O-])cc2)OP(=O)(Oc2ccc([N+](=O)[O-])cc2)Oc2ccc([N+](=O)[O-])cc2)cc1 150368497 IYTZBDDDAQHMBE-UHFFFAOYSA-N 662.353 7.168 5 40 KKBB Cc1ccc(S(=O)(=O)N(Cc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2-c2ccccc2)c2cccc(Cl)c2)cc1 150374486 HXRNRYMBTVINCU-UHFFFAOYSA-N 649.154 6.264 5 40 KKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 224509819 SNWQPYFLDFOIPX-PKTZIBPZSA-N 521.396 6.189 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225066932 ASEVTKXOOKCJOO-DHUJRADRSA-N 753.705 7.113 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225245521 VXWXYZQNKFRYRN-MUUNZHRXSA-N 545.636 5.071 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260982583 LMLAOTXRSKWNGF-JGCGQSQUSA-N 776.139 7.622 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261004534 SIVDNQWZQWBIDZ-OUTSHDOLSA-N 624.760 5.138 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 408565262 BLSJUQVIVKMWFA-XMMPIXPASA-N 577.465 7.109 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1 408577787 ZWMPFLOVYFPCCE-FQEVSTJZSA-N 515.791 6.580 5 40 KKBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1 408641611 KPWZCVSFBMVUBU-LBPRGKRZSA-N 773.026 6.878 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408652994 PKNDISXQIGARQA-DZUWIXTPSA-N 756.565 6.709 5 40 KKBB O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1cccc([N+](=O)[O-])c1 408656948 MOVNQAKYQIPBFE-DQXSBBCTSA-N 578.452 5.687 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408687686 USVORSBQROQZRA-SNINSWTHSA-N 624.091 5.599 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408824153 HGCCFCOPMGQOLJ-PKYOQBLNSA-N 634.110 5.338 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)cc1C 408928791 JNOIZARMYHHXOJ-FSJBWODESA-N 571.533 6.698 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4F)c(I)c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 409091228 RVGMBPIRHZVFMK-LNXFQTKESA-N 825.394 5.634 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 409173866 OHHHIJURVGOTJQ-IWIPYMOSSA-N 517.563 5.411 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)ccc1Cl 409194373 KNCLRPZLUAVSAI-MZJWZYIUSA-N 654.097 6.468 5 40 KKBB O=C(CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O)Nc1ccccc1F 409216958 QAYVFVJIAFXHND-SRZZPIQSSA-N 559.337 5.151 5 40 KKBB CCOC(=O)c1c(NC(=O)/C=C/c2cccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)sc2c1CCCC2 2298071 SEUNMLVUNCBRKA-ZHACJKMWSA-N 537.550 6.064 5 40 KKBB C[C@H](CCc1ccccc1)Nc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 8818265 WGQYOEKOSSUXDG-HXUWFJFHSA-N 529.062 5.192 5 40 KKBB O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8832877 BBPBNQXITSCUGM-UHFFFAOYSA-N 500.561 6.258 5 40 KKBB Cc1ccc(C2=Nc3ccccc3N3[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H](c4ccc([N+](=O)[O-])cc4)O[C@H]23)cc1 35074958 SMRKYZRESNBWSJ-ZGIBFIJWSA-N 506.518 6.591 5 40 KKBB CC(=O)Nc1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 39929437 CMUCQARTKDEGLC-UHFFFAOYSA-N 500.898 5.904 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 96836820 OAFSUZWLLTTXGQ-DQEYMECFSA-N 500.507 5.424 5 40 KKBB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])c1 100171797 YPWPULNVVHQFHN-WXHPKRHJSA-N 616.673 7.092 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccccc1Cl 100342888 BQLJMEACCPREFN-WSDLNYQXSA-N 589.851 6.835 5 40 KKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O 100343541 FTSVRHDEGAXTDB-XKZIYDEJSA-N 540.022 6.383 5 40 KKBB O=C(Oc1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(Cl)c1)c1ccc(Br)c([N+](=O)[O-])c1 100356223 KXEQLOUHCSSHNK-UHFFFAOYSA-N 600.559 6.120 5 40 KKBB COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)CCCCCCCCCCCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC 100921933 WOGMIZJGRGKLSV-UHFFFAOYSA-N 630.742 5.605 5 40 KKBB O=C(O)c1cc(-c2ccc3c(c2)OCCO3)nc2cc3nc(-c4ccc5c(c4)OCCO5)cc(C(=O)O)c3cc12 100954304 NPQDYNFKZWXDLO-UHFFFAOYSA-N 536.496 5.056 5 40 KKBB CCOc1ccc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o/c3=N\c3ccc(Cl)cc3)sc2c1 101389990 MMUPLGCIRZFBHE-PNHLSOANSA-N 520.954 6.488 5 40 KKBB CCCCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 101670569 ICZJZIATRJSWEA-QVJCSHTLSA-N 611.698 7.184 5 40 KKBB O=c1/c(=C/c2c3ccccc3cc3ccccc23)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 102660317 VGQQPUVZNWSLKA-WXKAHTKJSA-N 565.654 6.533 5 40 KKBB O=c1c2cc(I)ccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 103688814 JBMQFTFBWZLIQR-UHFFFAOYSA-N 515.332 5.191 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(c1cccc3ccccc13)=NN2c1ccccc1 103757226 CWMSTQAHTOWTMB-MGBGTMOVSA-N 569.646 7.287 5 40 KKBB CCc1ccc(C2(c3ccc(CC)cc3)S[C@]3(SC(C(C)=O)=NN3c3ccccc3[N+](=O)[O-])c3ccccc32)cc1 103768831 XQLQOVCLORZWBT-MGBGTMOVSA-N 579.747 8.025 5 40 KKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3c(C)cc(Br)cc3Br)nc12 104244653 UWJKHHDDYOTEDA-UHFFFAOYSA-N 531.182 5.064 5 40 KKBB Cc1c(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2-c2nc3ccccc3s2)cccc1[N+](=O)[O-] 105311828 DCFJYLUQROUTPH-UHFFFAOYSA-N 606.321 6.832 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223623840 UFZVKGGUJJZBCZ-INJOXJOKSA-N 741.694 6.969 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 224684256 FKXGHFKMLZOPSJ-XZWHSSHBSA-N 548.624 7.528 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(C)cc1)[C@@]21C(=O)Nc2ccccc21 248176581 ZJYJLYAGGWEYIV-DDWAFBAVSA-N 569.617 6.149 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3O)nnc2-c2cc(Br)ccc2O)c(C)c1 408544267 CWGNZOLIVSYMSX-UHFFFAOYSA-N 570.425 5.364 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 408567680 QYOQRSDLTHICLL-NJLXRYBVSA-N 577.262 5.903 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)cc1 408568144 HTPWPIBYROTURG-RUZDIDTESA-N 525.030 6.317 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408638150 BZPMAFRQKGDZFG-QKCPIRFBSA-N 720.991 6.588 5 40 KKBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408644970 SAHLMCQKTRZBBH-NSHDSACASA-N 611.221 6.142 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408734573 YIYBVAIPNJZKMK-VVNKCDPRSA-N 608.470 5.037 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)cc1Cl 408750410 MMHARNCBGLOPQE-UHFFFAOYSA-N 538.994 5.698 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409034691 QTAWZBFUUKELFG-NBQDTTAVSA-N 673.744 5.090 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409046929 LMDXCULDJRDHFQ-PLMBTIQCSA-N 631.707 5.379 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1cccc(Cl)c1 409160496 QISSSKTVTLNTSC-UFFVCSGVSA-N 554.924 5.624 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409167092 HJJHWAUFQPKMPG-WYMPLXKRSA-N 612.458 5.928 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409174816 VOTQEYHLXXGAHB-DHRITJCHSA-N 582.034 6.209 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 409176295 JSKBAJRUNKRCPU-SANMLTNESA-N 551.467 5.085 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 409183025 RMZSZYNGZHZDJQ-AREMUKBSSA-N 551.467 5.085 5 40 KKBB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409203149 WLFDTRGXNAKJFM-UHFFFAOYSA-N 526.214 7.254 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccccc1Cl 409246701 ANIDSBIDKKBYHL-YBFXNURJSA-N 510.915 5.111 5 40 KKBB O=c1oc(=O)c2cc(Cl)c3c4c(Cl)cc5c(=O)oc(=O)c6c(Cl)cc(c7c(Cl)cc1c2c73)c4c56 584578353 IFQQYABVVINQPY-UHFFFAOYSA-N 530.102 6.160 5 40 KKBB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 1570006804 MCSXGHLTXBACQB-RQWWHMNSSA-N 535.769 9.162 5 40 KKBB biogenic CCOc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)c1 1317533 YAXQSZGROMJYRA-ZRBLBEILSA-N 528.348 5.351 5 40 KKBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2ccc(Oc3ccccc3)cc2)cc([N+](=O)[O-])c1 2256394 OUVGYFNIIOBLBJ-UHFFFAOYSA-N 504.462 6.244 5 40 KKBB COc1ccc(OC)c(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)c(C)nc32)c1 2257586 XXYPPJLCVGOALS-UHFFFAOYSA-N 511.969 5.311 5 40 KKBB COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(-c3cc(C[C@@H]4c5cc(OC)c(OC)cc5CC[N+]4(C)C)ccc3O)c1)[N+](C)(C)CC2 4273409 LVORPGXIHUEJFS-KKLWWLSJSA-P 654.848 6.632 5 40 KKBB C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)O)[C@H](CCC(=O)O)[C@@H]3C 4428315 LBTSOAOHYOZENH-QWMYNDFQSA-N 578.669 6.571 5 40 KKBB CCN(CC)CCSCCCNc1cc(C)nc2c1ccc1c2ccc2c(NCCCSCCN(CC)CC)cc(C)nc21 5663765 SPUXQIPVGJCOCT-UHFFFAOYSA-N 635.004 8.307 5 40 KKBB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 6014808 JLUALTVFLLOANS-HSZRJFAPSA-N 531.366 5.563 5 40 KKBB biogenic,in-vitro COc1cc2c(cc1OCc1ccccc1)[C@@H](CC(C)C)N(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 68568488 RNOFTTMDKCHAAK-JOCHJYFZSA-N 552.540 5.938 5 40 KKBB COc1ccccc1/C=C1/CCC[C@H]2C1=NN(C(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)[C@H]2c1ccccc1OC 97983816 MOAXSUQGWYIMQZ-LDHVAUBBSA-N 582.657 5.885 5 40 KKBB CCOc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@@H]3c2ccc(OCC)cc2)cc1 97983833 ZELOBQMLMCXUFI-OHVHUJDQSA-N 610.711 6.666 5 40 KKBB COc1cc(C(=O)Nc2ccc(N3CCOCC3)c(C(F)(F)F)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 100142269 PKSJMLYDGDJKBG-UHFFFAOYSA-N 585.457 6.522 5 40 KKBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc2ccccc12 102758587 XPVKFGFAWTVPEG-DSNGMDLFSA-N 534.355 6.106 5 40 KKBB Cn1c(Sc2ccc([C@H](Nc3ccccn3)n3nnc4ccccc43)cc2[N+](=O)[O-])nnc1-c1ccccc1 103763819 GTUNMRJAEAXUDC-RUZDIDTESA-N 535.593 5.340 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224305629 PBWNHXXBJKJMRK-HHHXNRCGSA-N 691.634 6.280 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224416960 RKAIONUBDRPKSI-MUUNZHRXSA-N 647.581 5.963 5 40 KKBB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224763440 HHNKJTVKXHCIGZ-IZZNHLLZSA-N 515.664 6.701 5 40 KKBB CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224783353 WPWCFXKSKJSNSR-CONSDPRKSA-N 593.734 7.508 5 40 KKBB CCOc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C)cc1 408551085 AXNFZKQUZNCKHY-UHFFFAOYSA-N 575.355 5.525 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 408571113 NRFIQAPUVOSUBM-VWLOTQADSA-N 617.953 7.388 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408610617 QRABYRKXQMDIRE-UHFFFAOYSA-N 535.294 5.307 5 40 KKBB Cc1ccc(NC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 408657848 NQJUXGSXHQWLET-PLKBCFBZSA-N 578.452 5.460 5 40 KKBB O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccc(Cl)cc1[N+](=O)[O-] 408666544 VCELPUYJQLIJMQ-HCOICLPRSA-N 627.908 6.445 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408686005 QVXCYBMBZWXGAL-TUSFPTNYSA-N 624.091 5.599 5 40 KKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 408710460 INWKKTJWMBVQSA-UHFFFAOYSA-N 514.350 5.925 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408734688 IOTHXAYLCGAEHI-HVDVVURSSA-N 643.718 5.083 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4C(=O)O)cc3s2)c(C)c1 408748429 AFLPELSBJNGKMG-UHFFFAOYSA-N 536.591 5.503 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408757657 OKSNBHZNNIKCKB-USDTVRPUSA-N 610.489 6.249 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408999778 XRTLGCKCVOLDNS-GRPHBVMCSA-N 713.815 5.333 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409038529 VXVJXFBWAWOQAU-ZJTZAHLKSA-N 638.098 5.416 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409060419 ZURSHCMKRIDJFK-UCQKPKSFSA-N 558.971 6.090 5 40 KKBB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl 409175287 YXPHCCAPTUNBLT-DEOSSOPVSA-N 534.874 6.153 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409192362 BFPXSDINMNFEAG-CXABMRDKSA-N 745.283 6.578 5 40 KKBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O 409198446 ARTLKJMKQDVGGN-BFNDQCEFSA-N 603.369 6.546 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 409273301 JSQSKDXLIBYMSY-RGVLZGJSSA-N 513.915 5.192 5 40 KKBB CCCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O 409276743 VTHLZNZHDMMQER-RQZCQDPDSA-N 531.306 6.615 5 40 KKBB O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 3340866 AMLYFKFAWRAUTA-UHFFFAOYSA-N 538.632 5.516 5 40 KKBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](C[N+](=O)[O-])c1ccccc1 8739520 VAMMHMBTLSBKCE-FPKJORFWSA-N 507.652 8.152 5 40 KKBB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13523857 RCYZAPFTTZOFKA-UHFFFAOYSA-N 519.541 6.707 5 40 KKBB CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4C[C@H]([N+]5(C)CCCCC5)[C@H](OC(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)C[C@@H]1N1CCCCC1 19685782 BGSZAXLLHYERSY-SYRDBPTRSA-N 557.840 5.966 5 40 KKBB O=C(NC(=S)Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59331440 NXGHIHHNTBYIDK-UHFFFAOYSA-N 517.636 5.989 5 40 KKBB Cc1nn(C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Sc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 89505541 FQRIDHMLWNJNQY-UHFFFAOYSA-N 517.523 5.408 5 40 KKBB CCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)c(Cl)c2)cc1[N+](=O)[O-] 100142912 BMKCEHQXEGQFEU-UHFFFAOYSA-N 529.424 5.875 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306114 NBSTUSNNGTXPLX-UHFFFAOYSA-N 580.464 6.283 5 40 KKBB CCCc1ccc(C(=O)N2c3ccccc3[C@@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3)C[C@@H]2C)cc1 105513461 SQGFWLDELGHQIA-CHJDUVSTSA-N 624.162 9.243 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 150395558 ALARXRHZPJRROL-POKSHJSXSA-N 637.739 6.134 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222730474 KWTVUXYSZOZBHV-RUZDIDTESA-N 700.041 6.399 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223829904 IXGAIIZKQBWRJA-MUUNZHRXSA-N 679.623 6.138 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NC(=O)C(C)C 224115212 WBYLOTIJEPUNEF-RRPNLBNLSA-N 541.633 6.330 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)o1 224383738 BXIUFTSRRYPRBH-RRPNLBNLSA-N 514.607 6.559 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)cc1 224787807 KQJVKRRBSKDQGQ-VMPREFPWSA-N 619.555 8.885 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224962763 ROMWFSNLIRYSCB-HKBQPEDESA-N 632.714 5.094 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225567771 PCLHOXCTOAIJQH-SANMLTNESA-N 542.463 6.001 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2Cl)C1 260925512 UTKHQSYKDLFZIW-GVXWNRQESA-N 587.149 7.093 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 408573427 STZQYWARKWVJPL-RUZDIDTESA-N 585.480 6.045 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1C 408577070 YNJZLJNZYGZTGF-VWLOTQADSA-N 554.028 6.443 5 40 KKBB C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)N[C@H](C)c4ccccc4)c3cc12)c1ccccc1 408720546 UCALUVFLTQBFEV-VSGBNLITSA-N 626.760 9.099 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733608 MDSCXCGBWZONQT-UTWPHBJQSA-N 705.914 5.233 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408837769 NEXPJSUTBRTQEH-CBYYHRJHSA-N 722.923 6.244 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408918980 RKNYBOTTYSXNIA-ZVBGSRNCSA-N 628.715 8.133 5 40 KKBB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 408924441 IWRUYSZNAPYOTB-KFOJKGMOSA-N 636.730 5.415 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1C 408928775 IJNBWYOGVWZMBN-NHDPSOOVSA-N 511.943 5.800 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3c4ccccc4cc4ccccc34)c2=O)=N1 409037607 XYTNLIVZPASOHD-FHMSYZJOSA-N 504.611 5.105 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409062640 YEURTYNPJPWPSD-QRVIBDJDSA-N 691.354 5.855 5 40 KKBB CCOc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 409110830 AJSDBDUOSLGNIR-BHVANESWSA-N 668.577 9.241 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409143877 OCRIJYGOUOGDGN-HRIDGTDGSA-N 652.733 5.479 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409158106 XQPCWJOUYIQQON-KEBDBYFISA-N 576.370 5.623 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409166795 GQEDEMDWQXNHIZ-ZVHZXABRSA-N 626.485 6.318 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409176831 YWQKLUZPKYVUOP-SANMLTNESA-N 548.960 7.089 5 40 KKBB Cc1cccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 409193648 KSXUGNFGWRSZMD-HFAHNTRXSA-N 533.334 5.629 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409223252 DYCWVTSDGPPDMC-YDZHTSKRSA-N 521.957 5.627 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 409231490 KTLVSKCYDRQETF-YDZHTSKRSA-N 752.303 5.477 5 40 KKBB Cc1ccc(S(=O)(=O)c2c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n(-c3ccccc3)c3nc4ccccc4nc23)cc1 1874001 KOCCDDFSCOZPSL-UHFFFAOYSA-N 599.650 5.424 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 8384050 OAFWIDMMEBIYQT-SRZZPIQSSA-N 545.451 6.551 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc3ccccc23)ccc1Cl 12659877 BZHMCHIWUVTXIG-UHFFFAOYSA-N 505.943 5.889 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)C[C@@H](C(C)(C)C)C2 97979671 NZGXUCPHRRBDOY-RMWKRFJVSA-N 585.682 7.158 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccccc2Cl)n1-c1ccc([N+](=O)[O-])cc1 100022327 WSECFVZNDIVQNE-LFYBBSHMSA-N 529.721 5.722 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 100358851 KMNJFJKVFLCLRN-SRZZPIQSSA-N 522.451 5.440 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@H]1C(c1cccc([N+](=O)[O-])c1)[C@@H]1C(=O)N(c2ccc(C)cc2)N=C1C 100922645 IZAQEVNAVAZTDD-CLJLJLNGSA-N 509.566 5.373 5 40 KKBB O=C1[C@@H]2[C@H]3C[C@H]([C@H]2C(=O)N1c1cccc(C(F)(F)F)c1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2sc(=O)[nH]c2S[C@H]31 100971696 YDFNPRCPBPZTAW-PIQGRLPUSA-N 573.574 5.041 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103530486 CZIWASWPOFICDG-PBNWVGGGSA-N 576.008 6.230 5 40 KKBB COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1Cl 105304567 YRSKTFFPDBRGNT-UHFFFAOYSA-N 562.995 5.686 5 40 KKBB COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Cl 105306693 WRHLPMKJZVCRCC-UHFFFAOYSA-N 568.011 5.028 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 150389618 KOWDBFUEJKSNQR-FCVOFCDTSA-N 694.560 5.065 5 40 KKBB COc1ccccc1-n1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 150408956 ZXJJMICSZYQNPW-SANMLTNESA-N 671.736 5.785 5 40 KKBB COc1cc([C@H]2c3c(C)nn(-c4ccc(S(=O)(=O)c5ccc(C(C)C)cc5)cc4)c3N=C3C(O)=Nc4ccccc4N32)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 150482828 FPYKBHLPMOVDSQ-KDXMTYKHSA-N 832.917 8.371 5 40 KKBB C[n+]1ccc(/C=C/c2ccc3c(c2)c2cc(/C=C/c4cc[n+](C)cc4)ccc2n3CCOCCOCCOCC[N+]2(C)CCCCC2)cc1 198761627 VTOXDAWUOPMOQO-UHFFFAOYSA-N 661.911 6.465 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCCC1 205870811 IRSBMBINDZRWAG-VXLYETTFSA-N 600.369 5.827 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224913820 VCWYBPRECVHTFM-XIFFEERXSA-N 693.222 5.925 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225111353 OQQGOLKCZUUZPS-XZOQPEGZSA-N 645.178 5.401 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225220190 CXFBSXKDHZBUHI-DEOSSOPVSA-N 552.524 6.391 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225538779 QIDFZJXAUSSUFN-FUFSCUOVSA-N 624.760 5.138 5 40 KKBB CC(C)(C)c1ccc(OCCOC[C@H](O)C[N@+](C)(Cc2ccccc2)C2CCCCC2)c(C(C)(C)C)c1 245240529 ZKKOEEJLMHFPLK-SJHOIFEDSA-N 510.783 7.017 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688074 VQUJREQNFMLWKK-FZDFQQAASA-N 563.997 5.698 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408735753 WWRPDUGHKZDVND-FVUNBJOLSA-N 673.744 5.092 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 408824916 BVXQTBDQFCRBPF-GEYGMGCISA-N 646.681 5.723 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 408913264 SKZSEQFUZWDGDE-GSTVVXAASA-N 666.756 5.425 5 40 KKBB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409010117 JPPMGJARSLVVOG-NNLQFVHNSA-N 570.259 6.534 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409032636 KEJBQJBRBNCANS-CRCYZHLCSA-N 709.531 5.568 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cccc2ccccc12 409082433 MASKUUZLVPNARS-OGMUYLFESA-N 605.672 5.439 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]32)c2ccc(OC)cc2)cc1 409091763 UGOBRMTXXRFEHB-JQDNXDNNSA-N 538.556 5.044 5 40 KKBB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409098371 LCSSQVYHZYCNEH-IDUWFGFVSA-N 598.169 7.210 5 40 KKBB Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2)cc1 409181507 CFFSYYSVHPODTG-HHHXNRCGSA-N 520.497 5.485 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409183466 SMQTWHVSPUUWPP-BHGWPJFGSA-N 636.004 7.441 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409273198 IZIOSJVTQITRBS-JUNLCRQGSA-N 593.709 5.018 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409338585 MPKJNJCIGQLKED-LGJNPRDNSA-N 640.512 6.743 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C 409357108 IXAVNHLVTJLPSK-NRFANRHFSA-N 565.483 5.679 5 40 KKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 1863110 ZPGFLAQADIDTLM-UHFFFAOYSA-N 593.737 6.226 5 40 KKBB CCc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2381346 QMQAKIGNOMCMLA-UHFFFAOYSA-N 500.389 6.201 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4cccc5ccccc45)nc3c2)cc1[N+](=O)[O-] 8721684 OGEODFQOXJSHPV-UHFFFAOYSA-N 512.551 5.007 5 40 KKBB CCC1=NN(c2ccccc2)[C@@]2(SC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)c2ccccc21 13648053 JMGJZHQSMADYME-LJAQVGFWSA-N 505.603 6.955 5 40 KKBB CC(C)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1 59513077 MNSDZKBYZBXCLI-LCQSEVKBSA-N 507.615 5.350 5 40 KKBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Cc1ccc(Br)cc1 95682005 HBPWIUKYCWZADM-UHFFFAOYSA-N 513.216 5.651 5 40 KKBB CCn1c2ccccc2c2cc([P@@](=Nc3ccc([N+](=O)[O-])cc3)(Oc3ccc(Br)cc3)C(C)(C)C)ccc21 97984384 DQOBAMBZLKXWNG-KXQOOQHDSA-N 590.458 9.436 5 40 KKBB Cc1ccc(C(C)C)c(Oc2cc(NC(=O)c3nn4c(c3Br)N[C@@H](c3cccs3)C[C@@H]4C(F)(F)F)cc([N+](=O)[O-])c2)c1 97999639 LSUWMYCXWOUUCL-NFBKMPQASA-N 664.504 8.752 5 40 KKBB CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OCc1ccccc1 98000291 SEYMZTBNRWSFSB-DTXPUJKBSA-N 565.582 5.624 5 40 KKBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1OCc1ccc(Cl)cc1Cl 102577369 HHTFFABPOIYIKV-DJWKRKHSSA-N 543.157 5.211 5 40 KKBB O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 105319492 QIXVMIDOZYCFKX-UHFFFAOYSA-N 533.201 6.649 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n31)c1ccccc1CC2 163189469 VBMBJJIZXNVUBJ-SJXDCSIJSA-N 640.515 6.258 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1 225058333 DSOKDTQVUNLSIG-SXOMAYOGSA-N 529.622 5.733 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 248337232 PPCVFMUUBPASDY-BQUCCUTGSA-N 561.619 5.903 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)c(Cl)c1)[C@H]1CCCN12 408565402 KHPWUVNCUSGBDS-YUHKXCSQSA-N 507.949 5.113 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 408566803 GETKPMPZNPSWJL-SANMLTNESA-N 599.507 6.435 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408684463 NKKHFGPNHGRZCJ-ZYNNUQKQSA-N 658.536 6.252 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12 408720305 KZDQCOHLCFMGTN-OIOCTNRISA-N 520.585 6.009 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408845038 QDNIAZZELPLSRI-QHCWNQLDSA-N 677.651 5.844 5 40 KKBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 408923367 CFQBCOITNUBFJR-XIEYBQDHSA-N 548.020 6.537 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408974711 CFJCCNLQPULENB-RISWYLRJSA-N 594.045 5.019 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409107856 RMPSOPJRVVNPBC-PSAPEEBNSA-N 701.599 6.196 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1 409167549 IPVZXBPWGCQGEK-YDZHTSKRSA-N 587.532 6.480 5 40 KKBB CS(=O)(=O)CC[C@H](C(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409175187 WZUAMRGCVWFDPJ-JOCHJYFZSA-N 669.879 5.173 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 409175464 ZJEISAMGOJVIDU-SANMLTNESA-N 540.915 5.830 5 40 KKBB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)c2cccnc12 409177383 GEKBALDXCGXYMW-HHHXNRCGSA-N 562.376 5.792 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409247104 GGWJTFYWRYBCNJ-AUEPDCJTSA-N 616.421 5.759 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409249315 KBZVXENMCWNOHU-WSDLNYQXSA-N 679.876 6.115 5 40 KKBB O=C(O[C@H](c1nc2ccccc2[nH]1)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 409331147 CPAHQSYSOUYHFA-UIOOFZCWSA-N 592.524 5.752 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C(C)C)cc4)C3=O)o2)c([N+](=O)[O-])c1 409339777 YFQMRDCMYGNWRO-YDZHTSKRSA-N 521.551 5.662 5 40 KKBB CO[C@H](C)C1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5[C@@H](C)O)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C 2242101223 AEWMCYQDHSDWMG-NHCUHLMSSA-N 612.727 6.763 5 40 KKBB O=C(Nc1ccc(Br)cc1C(=O)O)c1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 857579 LEALQPKWODJFOC-UHFFFAOYSA-N 560.316 5.262 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 8384099 YGPVJPIOVDMAEW-FSJBWODESA-N 685.323 7.720 5 40 KKBB O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc(CN4CCCCC4)n3-c3ccc(Cl)cc3)o2)cc1 13099098 VRUTYGPDPUSCJB-UHFFFAOYSA-N 511.995 5.157 5 40 KKBB O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14274101 XHMMLLNWLAQIGQ-UHFFFAOYSA-N 503.380 6.019 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(F)cc1 100260282 ZTNIEYGQOIRHTG-UUYOSTAYSA-N 543.370 6.312 5 40 KKBB COC(=O)CCC1=C(C)c2cc3cc(C)c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)OC)c5C)C(C)=C4)[nH]3 100393588 MTXRVEYQSPRYBW-UHFFFAOYSA-N 538.648 6.482 5 40 KKBB Cc1ccc(-n2c(C)c3c(c2C)[P@@](=Nc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)N(c2ccccc2)N=C3)cc1 102937909 FQCUIZRGPFCAAZ-RRHRGVEJSA-N 554.591 6.485 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)o1 104654999 RTIFHJLICQTKMT-NBQDTTAVSA-N 591.645 5.504 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Br)cc1 106722003 LAZDIVQDNCECFT-UUYOSTAYSA-N 604.276 6.935 5 40 KKBB CC1(C)[C@]2(Cl)C(Cl)=C(Cl)[C@]13[C@@](Cl)(c1ccc([N+](=O)[O-])cc1[C@@]1(Cl)C(Cl)(Cl)[C@@]4(Cl)C(Cl)=C(Cl)[C@]13C4(C)C)C2(Cl)Cl 150480152 HEOLJZCXUWKCNQ-LUDAKILFSA-N 774.825 11.238 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214928018 KQGXDKXKISFPBV-FSJBWODESA-N 623.403 7.804 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222878416 ICLJBESJESXKNW-YTTGMZPUSA-N 697.641 6.509 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223629664 VCHKHBRKMLFJFO-LJAQVGFWSA-N 624.760 5.139 5 40 KKBB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224458801 YAAOOXJJJVQVHY-DEOSSOPVSA-N 686.014 6.011 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224951861 DRQYMEATUNJONK-IBGZPJMESA-N 607.516 5.040 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 226628747 HCUASSZGQJKMAB-VVHYXOSJSA-N 671.536 8.091 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)cc1 408568616 ICKDJXVNWNCJSP-XMMPIXPASA-N 539.455 6.336 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C(=O)O)n[nH]2)c1 408634484 VDXFPKLVIPAOSV-MTJSOVHGSA-N 508.512 5.183 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408686900 SQJPKEGBXPPTMF-ZYNNUQKQSA-N 658.536 6.252 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1 408855014 LSXZRVQETIYZHO-WWWKDLBZSA-N 606.660 5.441 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 408906223 BBLFNWXLWWFPLV-UHFFFAOYSA-N 510.753 5.064 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409023137 MSZSTTOWRHHFMY-UHFFFAOYSA-N 545.661 5.897 5 40 KKBB O=C(Nc1ccc(Br)cc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409092972 XFDZCJAXVBXWKS-UHFFFAOYSA-N 524.374 7.492 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 409176955 CEDTYKMBAMSDBS-SANMLTNESA-N 505.486 6.093 5 40 KKBB COc1ccc(-c2cc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c3ccccc3n2)cc1 409183815 VBUSZWONSGVCLQ-UHFFFAOYSA-N 506.514 6.968 5 40 KKBB COc1ccc2nc3cc(Cl)ccc3c(NCC(O)CNc3c4ccc(Cl)cc4nc4ccc(OC)nc34)c2n1 1611255 QVQIYYZXMNJTAG-UHFFFAOYSA-N 575.456 6.088 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)cc1[N+](=O)[O-] 1846845 YZLXBDGKNHJFPE-UHFFFAOYSA-N 513.000 6.050 5 40 KKBB CCc1ccc(OCc2ccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)cc2)cc1 13644118 BGMPMZZKIPQVBL-UHFFFAOYSA-N 501.562 6.942 5 40 KKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 33353528 ZWFNHRXHSZBWOE-UHFFFAOYSA-N 520.592 5.112 5 40 KKBB CC(C)(C)c1ccc(OCc2nnc(Sc3ncc([N+](=O)[O-])cc3Br)n2-c2ccccc2)cc1 100287732 QSWQZSCOERSRQC-UHFFFAOYSA-N 540.443 6.361 5 40 KKBB COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1cccc([N+](=O)[O-])c1 102887106 ZTBXZOFYYWFZSK-FSSWDIPSSA-N 558.772 5.070 5 40 KKBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c2ccccc2)c([N+](=O)[O-])c1 103083965 WKFVVCWZPQNAGV-MHZLTWQESA-N 558.015 7.370 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 150391791 BASHMEGAGAMVNC-OINPTKSXSA-N 642.089 5.766 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150396754 WVLPIJZOJONSMV-KUSDHMTMSA-N 637.670 5.121 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 163707505 MDQNZXWJNVODBL-SUAMDDGLSA-N 632.676 5.129 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223698281 BHYJAESKRBUIHS-SANMLTNESA-N 659.205 5.525 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)o1 225144329 MWZARBPZCNBAER-RRPNLBNLSA-N 592.077 6.683 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 408575066 VXHKNRBTONBENL-RUZDIDTESA-N 614.478 6.334 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl 408576607 XVXYWZKVGAPNRX-IBGZPJMESA-N 550.236 7.233 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408641060 JJPRDJJWFLWDJU-UHFFFAOYSA-N 663.382 5.565 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408810149 IKJICNPYONSPIE-RGVLZGJSSA-N 619.349 6.149 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n21 408935353 DKUPJHQPHHOFLN-QARYAGPDSA-N 638.496 5.126 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Sc5nc6ccc([N+](=O)[O-])cc6s5)o4)c(=O)n32)cc1OC 408993856 XIRGQWYJXSWBBX-OGEXXFCLSA-N 711.803 6.153 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409029699 AKGSLUOCAAHBLI-HNVAQCFTSA-N 636.726 5.055 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]32)c2ccc(OC)cc2)cc1 409050716 YWOQNFVMUHPDKA-TUJIQRHUSA-N 508.530 5.036 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409060601 VETBSCAZRWRTLY-UCQKPKSFSA-N 612.458 5.093 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc3c4c(cccc24)CC3)N1Cc1ccccc1 409112135 KJBYXPJAEGNTHR-MGBGTMOVSA-N 525.608 7.208 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409132853 KGFRHKQLXXKEFO-KOEQRZSOSA-N 504.564 5.852 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409190501 YOHSUHFULUMGNP-FCVOFCDTSA-N 786.119 7.392 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc(Br)cc1 409203205 WUAMJIWWGDVDRA-ODLFYWEKSA-N 555.366 5.220 5 40 KKBB Cc1ccc(CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 409246390 HPBQICWNTVMQRY-WSDLNYQXSA-N 556.800 5.991 5 40 KKBB Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)n(-c2ccc([N+](=O)[O-])cc2)n1 3356393 SUWSCSDTTZOKRA-UHFFFAOYSA-N 528.366 6.319 5 40 KKBB CC(C)(C)c1ccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3cc(Br)ccc3n2)cc1 8450837 YTHNKMSOGWVFNN-UHFFFAOYSA-N 573.491 6.832 5 40 KKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@H]2c2ccc(OCc3ccccc3)cc2)no1 9187259 FYLWCYZMNNUARW-MUUNZHRXSA-N 514.537 6.571 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(C=CC(c3ccc(C(C)C)cc3)=NN2c2ccccc2)S1 9310084 WRBBLJZICAELSM-MUUNZHRXSA-N 511.607 6.308 5 40 KKBB CC[N+](CC)(CCNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)Cc1nc2ccccc2[nH]1 12523779 XHGFJGJLXUHZJA-UHFFFAOYSA-N 513.602 6.815 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)n1-c1ccccc1 95471412 CUVMQECXSKIGNR-HSZRJFAPSA-N 515.422 6.572 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C(=O)N1c1ccc(Cl)cc1 97952012 ACWZLUCEXNVHEH-UBFVSLLYSA-N 531.977 6.028 5 40 KKBB CCN(CC)c1ccc2c(c1)OC(=O)N(c1ccc(Cl)c(Cl)c1)[P@@]2(=Nc1ccccc1[N+](=O)[O-])N1CCOCC1 97984317 QWOOMZAOSHSFRD-FAIXQHPJSA-N 604.431 7.087 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 100823299 YRUCXOYORNPTPK-KEIPNQJHSA-N 566.458 5.186 5 40 KKBB CCOC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(C=CC(c3ccc(Br)cc3)=NN2c2ccccc2)S1 102659821 XZJYARVSIANNGT-AREMUKBSSA-N 578.448 5.922 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1C(=O)N(c2ccc(Oc3ccccc3)cc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 102803262 IYIOOKBSDDQFMP-CLJLJLNGSA-N 541.947 6.337 5 40 KKBB CCOC(=O)c1ccc(NC(=S)N2c3ccccc3N=C3CC(C)(C)CC(O)=C3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 102872142 FZVDDDUPUBGYBU-NDEPHWFRSA-N 570.671 7.434 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2s1)Nc1ccc(F)c([N+](=O)[O-])c1 103765628 XZLURXIJUKKPNL-UHFFFAOYSA-N 558.572 6.028 5 40 KKBB O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105319263 CQBAKFKMJXIJAS-UHFFFAOYSA-N 599.260 7.909 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 150395034 HQXIBISDJKRDNN-KMCFWPMWSA-N 654.144 6.881 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 208358649 SRBDFIUZBINZOY-CCLVUABDSA-N 609.660 5.437 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 215009491 SIRNIHPVZKLHPC-SSDVNMTOSA-N 552.477 5.449 5 40 KKBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222911862 OGCDLHJPTWKBCW-IBGZPJMESA-N 621.543 5.429 5 40 KKBB COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224610868 TUTIKDUJJCZSDI-RUZDIDTESA-N 588.488 5.844 5 40 KKBB Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c(Br)c1 224788638 IFPLCYJUZYHQQJ-IHLOFXLRSA-N 643.588 8.649 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224795418 LFSQZDATDNWMSS-QFIPXVFZSA-N 613.136 5.310 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C 225167437 LGGJEPSXANOWBW-KAYWLYCHSA-N 526.622 5.615 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225231890 IQDGXGVRUGZWID-SSEXGKCCSA-N 705.661 6.670 5 40 KKBB CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC 408564908 ASIMTMRPWBKAQV-FQEVSTJZSA-N 507.410 5.164 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1cccc2ccccc12 408567187 GRGJWSWYVRXQKD-SSEXGKCCSA-N 570.671 6.825 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 408571416 ORTZEZGYOXDBTG-XMMPIXPASA-N 608.345 7.643 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1cccc(F)c1 408572641 RPIZQXKZYDEEOU-HHHXNRCGSA-N 536.629 6.419 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 408574710 CCNMNZUVLUJJCC-UHFFFAOYSA-N 510.753 5.064 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1 408575904 WZTJHSJWZGXOMY-VWLOTQADSA-N 662.404 7.497 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)O)o1 408634266 SXGCXYXWDYMKRZ-JAIQZWGSSA-N 513.915 6.093 5 40 KKBB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)nc3ccccc23)cc1[N+](=O)[O-] 408645322 LBNNFJNLRTUPES-UHFFFAOYSA-N 547.567 6.493 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408678180 CSLAJBBLCSBOPT-SNINSWTHSA-N 624.091 5.599 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 408836210 ZMAVYSKYLGAXKR-ZSJKCPIUSA-N 703.398 6.355 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408845055 DZZKYDXQZFXGIO-FUFNRSNVSA-N 587.654 5.062 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408848495 ZHNUPKFPIQTWLA-WXKAHTKJSA-N 725.621 6.522 5 40 KKBB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c(C)c1 408986225 OQUCBMVDXKFVMF-INIZCTEOSA-N 546.630 6.050 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4c(C)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)cc1 409002125 SQHWKIIYQJMFIE-JLHDDXNDSA-N 532.665 5.722 5 40 KKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409167911 KFHKLWVDPCIGMF-SSDVNMTOSA-N 636.402 7.152 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 409276634 UNKDRWZYKKBWQV-OYKKKHCWSA-N 517.563 5.466 5 40 KKBB C[C@H](c1nnc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1-c1ccc(F)cc1)N1CCCCC1 2660275 FZQLQUBOKORELR-OAHLLOKOSA-N 519.002 5.246 5 40 KKBB CC(C)(C)[C@H]1C/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3c(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C1 97979915 BFUKFPHQBVPDRX-URBQWANRSA-N 618.517 8.394 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C 100358251 LXCWOGKTLBYDCD-JVWAILMASA-N 575.643 6.371 5 40 KKBB O=[N+]([O-])c1ccc([C@@H]2Nc3c(Br)cc(Br)cc3C(c3ccccc3)(c3ccccc3)O2)o1 101055633 COGDKXHRLMQHPW-HSZRJFAPSA-N 556.210 7.146 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@@]12C(c1ccccc1[N+](=O)[O-])[C@@]21C(=O)N(c2ccc(C)c(C)c2)N=C1C 102572871 VSDLASVYIBIOBW-CONSDPRKSA-N 535.604 5.744 5 40 KKBB O=c1/c(=C\c2cc(Cl)c(O)c(Cl)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 102660289 YSFQQUPQDIDKDB-XOBACGFXSA-N 550.423 5.239 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccs1)[C@]21C(=O)Nc2ccccc21 103541645 KUEKYYDBCBGJPW-FFAHVWSXSA-N 561.619 5.903 5 40 KKBB c1ccc(C[N+]2(Cc3ccccc3)CC[N+](Cc3ccccc3)(Cc3ccccc3)[C@@H]3CCCC[C@@H]32)cc1 104339994 RRLMDROXBSLWAT-TYHGNQNSSA-N 502.746 7.746 5 40 KKBB Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)cc1 105576370 DYMVDXONUDFGIP-UHFFFAOYSA-N 505.468 5.762 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(Br)cc1 106727402 QXKUIYJMYWAENV-QRVIBDJDSA-N 555.406 6.181 5 40 KKBB Cc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)Nc3ccc(SCC(=O)Nc4cc([N+](=O)[O-])ccc4C)cc3)o2)cc1 150483684 PBDGSVQPBJJTCJ-QXPFVDMISA-N 646.725 7.612 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222715018 IXSCBEAPGSJVPC-MHZLTWQESA-N 537.657 5.379 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224793503 RADHDMYQMJQTTJ-AREMUKBSSA-N 714.068 6.647 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225401034 CAOMZXZZDQPTKF-BHVANESWSA-N 716.832 6.335 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225551631 CGMIVQQCGUMVJC-UUWRZZSWSA-N 751.700 6.426 5 40 KKBB COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260807100 QXVMYHIRPXGTLT-RUZDIDTESA-N 636.771 5.016 5 40 KKBB CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408555016 FLBHUSKDZAXKPI-HSZRJFAPSA-N 515.931 6.126 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408558210 QKVISSLANOSNND-UHFFFAOYSA-N 589.264 6.539 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl 408564674 DNYQAEBHAAGYHV-BQVXCWBNSA-N 528.392 5.103 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633848 PYFZMRPMGOTHFE-NDENLUEZSA-N 514.922 6.144 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1Cl 408647875 VXOUMFZCKFYLEQ-UHFFFAOYSA-N 532.723 5.091 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408659829 PQDRAZUDMPZTQY-NTDMNLGMSA-N 599.426 6.049 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733929 RXJZDOLFUFIRMG-HQNZAIDJSA-N 710.721 5.771 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)S2)cc1 408780835 LUUOWHVIJJBVNQ-AOLPSBPOSA-N 530.433 6.643 5 40 KKBB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 408804565 AWQJFRDISUYMEL-MPZRGWBKSA-N 528.654 7.228 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1cccs1 408830769 STGOAIXWICXJMQ-FBRKSOCZSA-N 597.674 5.474 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408851373 YEQAEBCMCBWDPT-JLKMOJGBSA-N 613.692 5.073 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1cccc(C(F)(F)F)c1 408871166 XZZRDZHYBPPOHG-UUYOSTAYSA-N 557.506 5.868 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n21 408934795 CZYLNVVBDKTUKJ-NFYDWNOTSA-N 672.941 5.780 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cccc(OC)c1 408995846 BNVMBMSMBNORAR-HNVAQCFTSA-N 726.605 6.194 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409105076 GCKCJGNBZSBHJR-DTDQMKFYSA-N 652.729 5.442 5 40 KKBB O=C(CN1C(=O)c2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2C1=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409177870 ILHWINWNTBSGSC-UHFFFAOYSA-N 703.616 6.784 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409214486 XTHACSKRISQLED-SRZZPIQSSA-N 622.824 6.681 5 40 KKBB O=C1S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1Cc1ccc(Cl)cc1 409237115 JCJMZECHCGRESE-ZMOGYAJESA-N 503.967 6.488 5 40 KKBB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)/C=C/c5c6ccccc6cc6ccccc56)CC[C@]4(C)[C@H]3CC[C@@]21C 1889303087 HWPKACQLFFCDBD-DKRRFKAESA-N 616.930 11.959 5 40 KKBB O=C(Nc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1)c1ccc(Br)cc1 651629 KRPBUKCIXNFQFA-UHFFFAOYSA-N 506.312 6.122 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 2368908 JDBMPMIZGAKWFR-UHFFFAOYSA-N 525.742 6.266 5 40 KKBB O=C(OC(c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 3196649 HYNCFTYNVJIEQK-UHFFFAOYSA-N 581.252 7.331 5 40 KKBB O=C(O)CCCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 11852465 IIROHKZBIYKAQN-XMMPIXPASA-N 558.978 5.689 5 40 KKBB Cc1nn(CC(=O)Nc2cc(Oc3ccc4oc5c(c4c3)CCCC5)cc([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] 12844330 QXAQRSXPDMPIPV-UHFFFAOYSA-N 505.487 5.372 5 40 KKBB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccc(OC)c(OC)c1 102794828 LTBUDRMEDWGJDI-KEEVHDRGSA-N 527.577 6.572 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)C(C)(C)C)CC4)c(Cl)c3)cc2[N+](=O)[O-])CC1 103933914 RWXPLUFVJURCPL-UHFFFAOYSA-N 542.080 5.432 5 40 KKBB CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)N(c4cccc([N+](=O)[O-])c4)O[C@H]3C2=O)cc1 106021082 PXYSLKZLVKDHQE-ZGIBFIJWSA-N 579.565 5.264 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 106719311 FHRSJYPRDNZDEE-IWIPYMOSSA-N 513.531 6.180 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CCOc1ccccc1 106766517 YOPRHFASXMPUHY-HAHDFKILSA-N 555.406 6.052 5 40 KKBB CC(C)(C)c1ccc(Oc2cc3c(=O)oc(=O)c4cc(Oc5ccc(C(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)C)cc7)cc7c(=O)oc(=O)c8cc(Oc9ccc(C(C)(C)C)cc9)c(c2c5c34)c6c87)cc1 150347860 OIBUEAFZCMYHPY-UHFFFAOYSA-N 985.142 15.905 5 40 KKBB in-vitro CO[C@H]1/C=C/C=C(\C)C(=O)Nc2cc3nc4cc(Br)ccc4oc-3c(c2=O)C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@@H](C)/C=C(/C)[C@H]1OC(N)=O 150387612 GBAQGGXRNHNHMV-VOZKRZDTSA-N 698.611 5.516 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 163745925 IXZSPVVQEWMLGI-VPHSIRQSSA-N 628.663 5.530 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224886481 RLDBAVNWYJKTFX-XIFFEERXSA-N 693.222 5.925 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1NC(C)=O 225333535 FTFVKADEGOWTPQ-CLJLJLNGSA-N 529.578 5.394 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 225694033 SKNMGUWACHPHJP-RRPNLBNLSA-N 527.606 5.560 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 229902730 PPCVFMUUBPASDY-OAJQQGRKSA-N 561.619 5.903 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)C1 260919554 MGMKJOBUQKZAJZ-GBJTXXJHSA-N 588.133 7.563 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3cccc(F)c3)c(Cl)c1)[C@@H]1CCCN12 408563422 AJSSSZJSVGEXLK-UUNMANHLSA-N 542.394 5.766 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)cc1 408568146 HTPWPIBYROTURG-VWLOTQADSA-N 525.030 6.317 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 408571638 PIISKZTZZYSUAY-XMMPIXPASA-N 559.019 6.075 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1Cl 408577005 YINUZBCUWKASSQ-RUZDIDTESA-N 525.030 6.235 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1C 408646213 TXLRJSXZIVOKPV-UHFFFAOYSA-N 526.332 5.055 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OCC 408738732 NGLRICPLJOBMHD-WOSHRIRTSA-N 643.718 5.083 5 40 KKBB Cc1ccc(C)c(N2C(=O)c3cccc4c(-c5ccc(Br)cc5C)c([N+](=O)[O-])cc(c34)C2=O)c1 408757624 OAKIWSKETHRUMH-UHFFFAOYSA-N 515.363 6.903 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1Cl 408837025 XXPJEKYYMKJYPA-ZFWDJNJRSA-N 658.947 6.246 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408840508 GPNJVWSCOGOXPK-LLXISZFLSA-N 651.697 5.511 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408934945 DRVNPPCZADIMDW-SOJUGJLBSA-N 722.614 5.844 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 409000055 MIRISLYGUMMDOP-NXYYLBPMSA-N 803.669 7.037 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c2=O)=N1 409045994 QSPWDKXKRUYVBN-CRCYZHLCSA-N 642.517 6.062 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)cc1 409088401 JDMAGHNCYSYQRG-RRLWTYHVSA-N 743.845 7.915 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(CNc3ccc(Oc4ccccc4)cc3)cc2Br)cc1 409119045 RDBFNAITMVRCPN-UHFFFAOYSA-N 584.264 8.103 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)o1 409176200 YPJDLYWTLWAHAM-RGVLZGJSSA-N 513.915 5.192 5 40 KKBB COc1ccc(Cl)cc1C1=N/C(=C\c2ccccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C(=O)O1 409191323 VOAHNZDDJHZLSD-HGKZOJRLSA-N 504.882 5.220 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 409191446 HRURARIKYZUTBM-KEPJHFNWSA-N 731.212 5.518 5 40 KKBB O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 409269584 KLNFMZXZEBCMQZ-MXAYSNPKSA-N 558.547 5.247 5 40 KKBB Cc1ccc(Nc2cc3c(=O)n(-c4ccccc4)c(=O)c4ccc5c(=O)n(-c6ccccc6)c(=O)c2c5c43)cc1 2054946 KSYWOGRDIYHEKR-UHFFFAOYSA-N 523.548 5.096 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 6501249 UHGQCXBJESHKCT-QYRZKEDASA-N 506.558 5.701 5 40 KKBB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 12620818 YKUUHVQHYSNOOL-UHFFFAOYSA-N 505.503 5.654 5 40 KKBB O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)/C(=C/c2ccccc2)CCC1 67191222 XEDBYECHYHTNLN-XWJKQBQJSA-N 505.599 5.391 5 40 KKBB COc1ccc(Br)cc1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1cccc([N+](=O)[O-])c1 102887110 ZTBXZOFYYWFZSK-FKBYEOEOSA-N 558.772 5.070 5 40 KKBB CCOc1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n2[C@@H]3c2ccc(OCC)cc2)cc1 102901935 BZSFYMQPIWTMQK-CJFQQIECSA-N 593.705 6.188 5 40 KKBB CCOc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1 103777283 DMJLVQWIPNVOQS-UHFFFAOYSA-N 534.575 5.135 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6C)o5)c(=O)n42)c2ccccc2CC3)cc1 104656877 MNPVFUAYRYSBKA-DDIUQFJASA-N 575.646 5.804 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 104676638 RBNYXFMHEYBQMC-UNDLXJOSSA-N 599.709 6.179 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 105394634 WOBVUSOKAALKRW-NTEUORMPSA-N 547.036 6.077 5 40 KKBB O=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Br)cc1 106725423 DWIUOQXPOKLGQH-GRSHGNNSSA-N 519.760 6.507 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223488526 UYKRYNCWZSIMGW-IDISGSTGSA-N 554.112 6.036 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223774842 QGGWYEOZUJEWSM-QHCPKHFHSA-N 657.189 5.545 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224401952 KILVNVVNOXSJNO-NRFANRHFSA-N 665.596 5.603 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225237525 MKELBVDEQNTHCW-HHHXNRCGSA-N 631.151 5.094 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 225635643 PISARYVYZUXWTO-NSOVKSMOSA-N 540.649 5.399 5 40 KKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccccc1Cl 408545302 XNSNBVRLUDDMKO-FPLPWBNLSA-N 526.714 5.907 5 40 KKBB CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408556931 KYOFKBPPKURPLU-QHCPKHFHSA-N 538.931 7.237 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1)[C@H]1CCCN12 408563514 AQPJLOZGEKRWCO-AWTIUKJOSA-N 568.855 5.736 5 40 KKBB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)c1 408654934 RALFNDZOVMFUHT-WVXDQTCGSA-N 707.695 5.955 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1)c1ccc(Cl)cc1 408750954 ULPIOZDDDOPPFY-UHFFFAOYSA-N 527.967 5.783 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408823437 DHBNDJXVVSTWNN-UPWSPCOFSA-N 760.006 5.942 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1 408999731 SEJBYTXWWNUVNR-JBVGNYNVSA-N 720.785 5.044 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1 409094646 FHUSMPKTTSJDTF-RAWKODRKSA-N 648.770 5.847 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1 409108508 WJDUHKAQQSWNSB-OXDPQRGISA-N 678.796 5.861 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(N2CCOCC2)cc1 409149902 UXYOFRUSLWGPFZ-QRQIAZFYSA-N 597.653 5.109 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)c([N+](=O)[O-])cc1C 409163307 PKEOQERRKQCTOE-FBHDLOMBSA-N 503.363 7.015 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)ccc1Cl 409169482 RBRUUFYLOPHLKJ-LSFURLLWSA-N 714.856 7.283 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409189394 GDTYHEAAARIYBS-LXYLXTGBSA-N 739.688 6.672 5 40 KKBB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cc(Oc4ccc(F)cc4)cc([N+](=O)[O-])c3)n2)cc1 2798867 HVIHFOFVWJGNKE-UHFFFAOYSA-N 574.512 6.741 5 40 KKBB C[C@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 3250458 AFDBLPLOPGPCTM-LBPRGKRZSA-N 521.740 5.970 5 40 KKBB CC(C)(C)c1ccc(Cn2cc(/C=C3\SC(=O)N(CCOc4ccc([N+](=O)[O-])cc4)C3=O)c3ccccc32)cc1 8387520 XAVNNPNJYOEJKU-VEILYXNESA-N 555.656 7.011 5 40 KKBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)c(C)nc32)cc1Cl 8871116 VAMZHGWCWPDJCW-UHFFFAOYSA-N 516.388 5.956 5 40 KKBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(-c3ccncc3)nc3ccccc23)c2ccccc2)c([N+](=O)[O-])c1 12620211 BNBZEQHIRVHMBG-NDEPHWFRSA-N 518.529 6.050 5 40 KKBB O=C(Nc1ccc(Oc2cc(Oc3ccc(F)cc3)cc([N+](=O)[O-])c2)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 98000421 BJMBUFNCUWUQEH-UHFFFAOYSA-N 606.009 9.439 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(F)cc1)[C@]21C(=O)Nc2ccccc21 103557911 DPAPWPGRWVQXGD-YQQRZDPSSA-N 573.580 5.980 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 103899108 BOIGCUGPFYRIMT-UHFFFAOYSA-N 602.694 6.331 5 40 KKBB O=C(NC(=S)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306003 PJKGUXSOGWDVHV-UHFFFAOYSA-N 538.029 5.618 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214140439 FPRDDBUCZFNJFP-SRZZPIQSSA-N 541.925 6.194 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222798460 MQYMKVJKRNABAC-GDLZYMKVSA-N 655.560 5.483 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C(C)C 224104179 XLCQEZOPSWDZDL-RRPNLBNLSA-N 540.649 5.861 5 40 KKBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224617694 WTLBTWZWEPLMND-MHZLTWQESA-N 549.693 5.391 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224829796 LOXCRAAHGWMQAS-DHUJRADRSA-N 733.287 6.768 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225576387 LJTHUDXOTAHIQP-UUWRZZSWSA-N 741.694 6.970 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 229864619 CWSVCPDOJGYHEP-CILKRHGOSA-N 620.459 6.213 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261109025 XNJMBJQLMWTBLH-DICHSLLOSA-N 628.751 5.345 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F 408568099 HQSZTCVTOYJNNM-SANMLTNESA-N 571.074 7.073 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 408577446 ZNLOPTAHVOMOQF-SANMLTNESA-N 539.057 6.625 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)C3)cc2)cc1 408650275 MEASDKLMJPBAIN-RUZDIDTESA-N 614.632 5.117 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408683829 MHLXNGPAZYKMNZ-UHFFFAOYSA-N 761.959 6.407 5 40 KKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)o1 408925744 SRPQNYKESIORKA-MFCBUNOESA-N 605.694 5.086 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OCC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)cc1 409108276 ZEWDZCICNAWJQH-VULFUBBASA-N 656.511 6.409 5 40 KKBB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409146098 JGYJPINKMQKVAK-NRFANRHFSA-N 531.038 5.026 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409161610 WNBMPEIXWGDYCR-FSJBWODESA-N 587.532 6.398 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1cccc(Br)c1 409165281 VVZRYXYTMXHZIV-SRZZPIQSSA-N 556.350 6.294 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409180876 TVIDXWIXTKWVSO-WGOQTCKBSA-N 561.616 5.810 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)cc1Cl 409275125 YVBAPJBNCLHWSX-UFFVCSGVSA-N 570.967 5.128 5 40 KKBB O=[N+]([O-])c1ccc([C@@H](Nc2nnc(C(F)(F)F)s2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 8453408 VWRBQTKVMBADMG-IBGZPJMESA-N 536.428 6.927 5 40 KKBB CCn1c2ccccc2c2cc([P@](=Nc3cc([N+](=O)[O-])ccc3C)(N3CCCCC3)C(C)(C)C)ccc21 12524751 YNVMDAYCACUVTR-QNGWXLTQSA-N 516.626 8.389 5 40 KKBB Cc1c(C(=O)NC(=S)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)cccc1[N+](=O)[O-] 21595923 BZKXNSAFZKWJMH-UHFFFAOYSA-N 505.021 5.426 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5c6ccccc6cc6ccccc56)c(=O)n42)c2ccccc2CC3)cc1OC 97968619 NLBYPIMAKPLPGJ-PECNEJNESA-N 580.709 6.642 5 40 KKBB Cn1cc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 100023412 GWFBPSICAMDYRH-AWNIVKPZSA-N 548.340 5.561 5 40 KKBB COc1ccc(CSc2nnc3c4c5c(sc4n4c(SCc6ccc(OC)cc6)nnc4n23)CO[C@H](C(C)C)C5)cc1 100158775 ZUHKHWRBQWQDHD-QHCPKHFHSA-N 618.810 6.686 5 40 KKBB Cc1cccc2c(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc(-c3ccc(N4C(=O)c5ccccc5C4=O)cc3)nc12 100396605 CAKJSNDGEAORDZ-UHFFFAOYSA-N 571.545 5.959 5 40 KKBB Cc1ccccc1-n1c(COc2ccc(Br)cc2)nn(CC(=O)c2cccc([N+](=O)[O-])c2)c1=S 100995880 MWPVQTCQLIVDSJ-UHFFFAOYSA-N 539.411 5.844 5 40 KKBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 103112790 NRAMWKLWKDXFLT-QHCPKHFHSA-N 578.430 5.223 5 40 KKBB CCOc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3CC)cc1 103706514 GNPQOFYMBRHLFD-UHFFFAOYSA-N 545.573 5.163 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=Cc4ccc(Cl)cc4N3[C@H](C(=O)c3ccc(Br)cc3)[C@@H]2C1=O 103988259 LZDUQVIBVQDPDJ-KTEAYJLESA-N 608.832 5.292 5 40 KKBB O=C(Oc1cccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 106697152 JQPBUYJLMXMKSZ-NKVSQWTQSA-N 523.454 5.098 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 139818965 RQYHDACXIAQQCL-HSZRJFAPSA-N 579.708 5.496 5 40 KKBB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224484994 WGIVFDJEXUOTME-VWLOTQADSA-N 607.516 5.040 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1)S(C)(=O)=O 224856687 PKJVTWVGYUZIHO-UHFFFAOYSA-N 530.606 5.108 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl 225251506 RDPXJKWCVLKTOY-IZZNHLLZSA-N 563.039 5.196 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 260954535 FUEDLWIJFYQTKM-MUUNZHRXSA-N 647.581 5.367 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)nnc2-c2cc(Br)ccc2O)c(C)c1 408545461 QWRUCYNONDRMCI-UHFFFAOYSA-N 623.316 6.965 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl 408564443 CYYFNOXASDBSGY-UHFFFAOYSA-N 510.753 5.064 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1 408567587 GWTDQEZPFUAQBO-NDEPHWFRSA-N 635.540 7.198 5 40 KKBB CCn1c2ccccc2c2cc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)ccc21 408622274 NATCHADHMNRIQZ-UHFFFAOYSA-N 528.590 5.557 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(Br)cc1 408997227 MCMNUOMGIJSIFJ-ZJTZAHLKSA-N 664.534 5.057 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409014818 LCAJHVIRMTZTKL-JVWAILMASA-N 667.538 5.330 5 40 KKBB CCCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3ccccc3)c(=O)c2c1C 409113540 GTYNBFCEPFJFQA-UHFFFAOYSA-N 505.543 6.786 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2c(F)cccc2Cl)N1Cc1ccccc1 409125346 CYMNASSZNVAERW-HHHXNRCGSA-N 501.945 6.749 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl 409152435 FJUFMFGXWRBWLS-YSMPRRRNSA-N 624.071 6.459 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1cccc2ccccc12 409193486 DSEBFXHJZGCGIN-UCQKPKSFSA-N 526.530 5.610 5 40 KKBB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 2798513 JYQCFWMZVFQMEV-INIZCTEOSA-N 540.523 6.982 5 40 KKBB CCN(CC)S(=O)(=O)c1ccc(C(=O)c2c(C)c(Sc3ccccc3[N+](=O)[O-])c3ccccn23)cc1 3163884 ONQKGBUEXWJDCO-UHFFFAOYSA-N 523.636 5.569 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 6289380 DWTKXXFJNUWQQQ-BUVRLJJBSA-N 556.556 5.619 5 40 KKBB CCOC(=O)c1c(Nc2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 12311343 RNCXNVVEBUTSOG-UHFFFAOYSA-N 501.586 5.256 5 40 KKBB Cc1ccc(Sc2ccc(C3c4c(C)nn(-c5cccc(C(F)(F)F)c5)c4Oc4c3c(C)nn4-c3cccc(C(F)(F)F)c3)cc2[N+](=O)[O-])cc1 97982473 IARVZRJUIZWGRA-UHFFFAOYSA-N 721.683 10.366 5 40 KKBB C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)C(CCC(=O)OC)=C4C)c(C)c3C=C 100045922 WASRLAPXOHTNAX-UHFFFAOYSA-N 590.724 7.681 5 40 KKBB endogenous,in-man CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(O)=C2[C@H]1c1cccc([N+](=O)[O-])c1 101420740 KPSKIVXMDNISPX-SMSORMJASA-N 509.606 7.462 5 40 KKBB O=C(COC(=O)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 101525282 HBKNZANMELSLAR-UHFFFAOYSA-N 553.530 7.171 5 40 KKBB CCOc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 101671139 GRKVKYDAHGSZLD-SLQPCKNISA-N 604.413 5.666 5 40 KKBB COC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(C=CC(c3ccc(Br)cc3)=NN2c2ccccc2)S1 102894321 BFNXQDCQLOZASF-RUZDIDTESA-N 564.421 5.532 5 40 KKBB O=C(NCCN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 103021743 RDSBZXMZMCDLGH-XKZIYDEJSA-N 565.032 5.991 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccncc1)[C@@]21C(=O)Nc2ccccc21 103554601 ZMPULFICGYXEER-HKFRAXQBSA-N 556.578 5.236 5 40 KKBB CCOC(=O)c1c(CN(CC)CC)n(-c2ccc(OC)cc2)c2ccc(Oc3ncnc(N4CCCCC4)c3[N+](=O)[O-])cc12 103560650 CDHXEGHPCSVHJF-UHFFFAOYSA-N 602.692 6.138 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 105306711 KYHNMWVPTGZAOM-UHFFFAOYSA-N 559.648 5.168 5 40 KKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105312842 LHKLTFIQLRXMTO-UHFFFAOYSA-N 575.647 5.498 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 138905837 RLZQCUOZSXTUQS-NPYONTDKSA-N 571.589 5.036 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1cccc2ccccc12 150385997 LXCZEMZILGJQFC-JVWAILMASA-N 666.493 7.567 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 150396101 JKMIWLWRAPTBFL-XNENXQGPSA-N 663.777 6.145 5 40 KKBB Cc1c(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)n2-c2ccccc2)cccc1[N+](=O)[O-] 150411333 MOSAWDJHDHYCQQ-MHZLTWQESA-N 655.737 6.085 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214911568 IXUXHAQUPCBXHW-SSDVNMTOSA-N 609.376 7.414 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1cc2c(cc1Cl)OCO2 215281140 RWIGMSNKUKUFKA-GZIVZEMBSA-N 578.908 7.025 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224462507 BCMRXIUMPUDYOJ-WJOKGBTCSA-N 683.614 6.263 5 40 KKBB CN(C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224781235 XVESCZRPHVNMAD-JSOSNVBQSA-N 592.750 7.175 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 260987517 MSZVHEBHLBVZGK-UUWRZZSWSA-N 654.789 5.797 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 408566730 OONRZHYQZMFTJQ-BQGAEBSMSA-N 582.426 5.230 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 408570365 LDIWFYLEPHECFE-MHZLTWQESA-N 552.628 6.201 5 40 KKBB CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OCC 408577045 YMTMCCGCABGIMW-FQEVSTJZSA-N 525.400 5.385 5 40 KKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 408710442 CFSOWXBVBNCKCF-UHFFFAOYSA-N 549.568 5.849 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 408728163 IIOWTQLSFZRMEL-LMHXZZLNSA-N 588.639 5.658 5 40 KKBB COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3C)s2)cc1Br 408824258 HPPTZYKIGZUXKL-UHFFFAOYSA-N 538.423 7.026 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408980240 FERKITZMUMSXKK-AOLPSBPOSA-N 674.982 6.104 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409043559 MYTPGQSCKYUFJN-MBSKNMOHSA-N 704.714 5.211 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 409139339 CWSKBDXWFKEVGR-BFOKUZPWSA-N 649.754 5.402 5 40 KKBB Cc1ccc(-c2csc(NC(=O)Cn3nc(COc4ccc5c(c4)CCCC5)oc3=S)n2)cc1[N+](=O)[O-] 409164133 CWFBKHYSTLWGSZ-UHFFFAOYSA-N 537.623 5.642 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] 409180845 WLBHGKPBUUNRJA-VWLOTQADSA-N 538.408 7.834 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409206951 RNMHJCFLULTJIB-FOKLQQMPSA-N 553.980 5.511 5 40 KKBB COCCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409231500 JLAMQBGCVQLMBO-WOJGMQOQSA-N 586.258 5.772 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409238048 YURCSSNEYGFMFP-LSHDLFTRSA-N 568.495 5.118 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1F 409271688 LEEILUDLJCURRL-ZVBGSRNCSA-N 556.459 5.249 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1C 409271860 DFRKAAHIXQIVSB-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB CCN(CC)CCC[C@@H](C)Nc1cc(C)nc2c1ccc1c2ccc2c(N[C@H](C)CCCN(CC)CC)cc(C)nc21 5663771 CKCJECFVTUNGND-CLJLJLNGSA-N 570.870 8.398 5 40 KKBB CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)c1ccccc1n2CC 8871118 MMVNKBNDZNPZTD-UHFFFAOYSA-N 514.633 6.774 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 44802876 CCINRIBPHGDYBG-UHFFFAOYSA-N 517.563 5.008 5 40 KKBB CC1(C)CC2=NN(c3ccccc3)[P@](=Nc3ccccc3[N+](=O)[O-])(c3ccccc3)C2=C(N2CCOCC2)C1 97984131 WORPOWVJTKISCC-LDLOPFEMSA-N 541.592 6.908 5 40 KKBB COc1ccc(CCn2c(-c3ccc(C(C)(C)C)cc3)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1 102581378 CVYKQWCCSPJVBG-UHFFFAOYSA-N 559.460 6.481 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2C)CC[C@@H](C)C4)c([N+](=O)[O-])c1 103057243 KSDHMKDCAKAXRG-MRXNPFEDSA-N 534.663 5.828 5 40 KKBB Cc1ccc2nc(-c3ccc(NC(=O)CN(c4ccccc4)S(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)sc2c1 108888855 QOVKSFSRLSHSPA-UHFFFAOYSA-N 558.641 6.014 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 150391635 ITARSTVKCLSOPA-DAIZXWHWSA-N 647.709 5.431 5 40 KKBB COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 222523417 YUVLWDPAJRFBPH-GDLZYMKVSA-N 529.637 5.235 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 224076590 DGRLAAZLXIJZAG-CLJLJLNGSA-N 551.024 6.106 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)o1 224111126 JFZFDCICLOGRCM-IZLXSDGUSA-N 571.659 6.338 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224619882 TVOZQYNDGIAUAH-PMERELPUSA-N 636.771 5.016 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 225558067 AJDVFJUHNSVZRV-VSGBNLITSA-N 541.633 5.814 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225570073 HZQNNFPQWQQXBU-YTTGMZPUSA-N 697.641 6.653 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 408565492 CBNHPJFRTGTEIF-DEOSSOPVSA-N 563.894 7.533 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1Cl 408571905 PUYKICQUMBMBAK-VWLOTQADSA-N 617.953 7.306 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1F 408575545 WMIDCGDUOGTNSZ-DEOSSOPVSA-N 587.471 6.565 5 40 KKBB CCn1c(S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408633575 NYNGCJNVMIYRGJ-DHRITJCHSA-N 578.672 6.568 5 40 KKBB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4[C@H](C3=O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C3(Cl)Cl)cc2)c1 408642937 OJPUJCLVBDBYKQ-CJKHBJSASA-N 802.234 6.509 5 40 KKBB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4[C@@H](C3=O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C3(Cl)Cl)cc2)c1 408642972 OJPUJCLVBDBYKQ-VVYIRJGBSA-N 802.234 6.509 5 40 KKBB O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1cccc([N+](=O)[O-])c1 408658993 OPZGSIHXZLDZMD-BONBFMHJSA-N 621.473 5.474 5 40 KKBB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408672049 UXWYXYISOJLTFA-ZDUSSCGKSA-N 637.259 6.584 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1ccc(C)cc1 408916668 FWILLYSAEQLHEJ-DHRITJCHSA-N 583.460 6.880 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 408994867 HJYOQTHPCOBSIK-JBVGNYNVSA-N 693.803 6.153 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1 408999735 SEJBYTXWWNUVNR-OTHIGLTOSA-N 720.785 5.044 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409153836 NOQCVISZCFRIEL-MTJSOVHGSA-N 552.590 5.188 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])cc1C 409163854 YSEGRWSGSMLZNF-NHDPSOOVSA-N 513.369 6.471 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(COc2ccc(Br)cc2)cc1 409173914 PCYKDEPMLXUJNP-UHFFFAOYSA-N 534.362 7.086 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409214414 XJILRMPQYKYSGO-LSHDLFTRSA-N 575.824 6.839 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409275348 IQFLBYSRSCCMBT-JJFYIABZSA-N 584.994 5.518 5 40 KKBB Cc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2268802 JHWZSBRSBBTCNL-MUUNZHRXSA-N 505.039 7.906 5 40 KKBB CC1=C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@H]21 100391048 ZRHIGDZIDKQKSO-ZGWQZBKRSA-N 524.529 5.446 5 40 KKBB COc1cccc(/N=c2/ssc3c2-c2cc(C)cc(C)c2N(C(=O)c2cccc([N+](=O)[O-])c2)C3(C)C)c1 100730022 LYPVRMGZRMERKO-PBBVDAKRSA-N 531.659 7.138 5 40 KKBB Cc1ccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)/C(=C/c4ccc([N+](=O)[O-])cc4)NC(=O)c4ccccc4)c3)C2=O)cc1C 113562144 NVGLJBGNXLJKSQ-IUBRTPTASA-N 620.687 6.045 5 40 KKBB O=[N+]([O-])c1ccc(C2N(Cc3cn(-c4ccccc4)nc3-c3cccnc3)CCN2Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 150471819 ILVWFKDAIRCCME-UHFFFAOYSA-N 659.754 7.107 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 150634385 QCDACXZTCMGNDE-GKTKDVHMSA-N 668.555 5.909 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)o1 214813298 ZHBLURMMLGDDMV-KEBDBYFISA-N 505.335 6.407 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 224825680 MVFCBJQRTVRDOG-DQEYMECFSA-N 502.552 5.444 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cc(C)c(C)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(C)cc2)cc1 250972295 BXIBVESOCILULD-IPMXHECSSA-N 504.586 6.252 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1 408565489 CBLRNRBINOCPOF-DEOSSOPVSA-N 543.020 6.374 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408567195 GRLKDKJBZZMCKF-AJZQZXEDSA-N 570.415 5.134 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 408572978 RZYDXZPWKZCNRJ-RUZDIDTESA-N 644.504 6.343 5 40 KKBB CCn1c(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408633441 MYECZMLATRMAIM-MFKUBSTISA-N 578.672 6.568 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C2)c1 408654459 GTIFJOJTJUQMNE-IBGZPJMESA-N 561.591 5.228 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cccc(Br)c3)c2=O)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408733682 ZMIGDDORMULCSD-YRSDHNRQSA-N 664.534 5.166 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc(C)c(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1 408758374 ZAXGIHIBKPKBGZ-FVUNBJOLSA-N 589.673 6.112 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 408786601 SSQKEJYNACMXCV-FQKMCRJQSA-N 632.676 5.129 5 40 KKBB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409177906 DJJOWIFEFIQAQB-UHFFFAOYSA-N 501.278 5.033 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 409183474 SRPUSYVTSJMESS-UHFFFAOYSA-N 620.570 7.802 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409221608 SWXIHQBQHAXOKH-CIAFOILYSA-N 619.799 5.928 5 40 KKBB Cc1c(C(=O)NS(=O)(=O)c2ccc(NCCN3CCOCC3)c([N+](=O)[O-])c2)n(CCc2ccc(Cl)cc2)c2ccc(Cl)cc12 585271664 IGXWDNPEBKDKOM-UHFFFAOYSA-N 660.580 5.270 5 40 KKBB CCCOc1c(I)cc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1OCC 8396180 UGLHFTPRWALFIX-LICLKQGHSA-N 536.322 5.040 5 40 KKBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cc([N+](=O)[O-])ccc4Cl)o2)N3)C1 8921676 XCGXXSFVSQJOSL-IBGZPJMESA-N 502.936 5.513 5 40 KKBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 12541375 XGVOCFFWALEYIJ-UHFFFAOYSA-N 523.611 5.632 5 40 KKBB CCOc1ccc(OCc2ccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)o2)cc1 13643685 PWHNTTQNLNURHF-UHFFFAOYSA-N 507.522 6.371 5 40 KKBB CC1(C)c2cc(Br)ccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21 100376757 CERVAJOMYJBUAB-UHFFFAOYSA-N 625.609 12.702 5 40 KKBB O=C(Oc1c(Br)cc(C(=S)N2CCCCC2)cc1Br)c1ccc([N+](=O)[O-])cc1 101056450 DLJVSWZDVMSODE-UHFFFAOYSA-N 528.222 5.500 5 40 KKBB CCCOc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103288087 RWNXCLOGXUGYJO-XKEBTDTJSA-N 599.643 6.365 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(F)cc3)C3=C(N=4)c4ccccc4CC3)o2)cc1[N+](=O)[O-] 103791565 INXJTCCNKQGRCE-UAMLYEQYSA-N 563.610 5.934 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112239153 UTLJXNSKNVZLSP-UHFFFAOYSA-N 629.570 5.187 5 40 KKBB O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc3ccccc3c2Cc2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 150410453 ZGPILMNDYJEFKD-UHFFFAOYSA-N 670.677 6.936 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224074359 BNDXPCFWMBUOJB-YTTGMZPUSA-N 628.751 5.265 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225142366 RFBHMHLZDVYDTD-PMERELPUSA-N 671.216 6.017 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 225231680 SNNSDIIANATLPI-CLJLJLNGSA-N 529.578 5.012 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 247289458 ALPBRAWMIUYVDR-YGGCMVMVSA-N 559.553 5.590 5 40 KKBB O=[N+]([O-])C[C@H](c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1c[nH]c2ccccc12 408573559 TVIYSPSAGJTPIA-XMMPIXPASA-N 501.380 7.071 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408608173 MVKZRHIMDFDWHX-UHFFFAOYSA-N 580.291 5.819 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Br)cc1 408643381 PIEQTLIZJQMLIY-QKCPIRFBSA-N 730.997 6.044 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408647839 VSWWVMDOKFBHSF-FMNCTDSISA-N 576.005 5.702 5 40 KKBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]12 408658055 URFYELOAECOJEN-GRMVFTJISA-N 636.444 5.558 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688419 WGVIJMRSQNIUCW-HCXPYDJZSA-N 598.442 6.351 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc(C)ccc4c3Cl)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408838163 CNIWYOLCFIGXHQ-DEDYPNTBSA-N 562.987 6.734 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c2=O)=N1 408922379 DMVKSBJYWSBCJB-USDTVRPUSA-N 620.127 6.524 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409039697 XFVDQIRRIRQECU-IVQFASICSA-N 643.718 5.081 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)cc1 409048395 WJKUBKLXGRIKOH-IVQFASICSA-N 643.718 5.081 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409164424 IHJNIPURESUBCV-CIAFOILYSA-N 534.550 5.083 5 40 KKBB Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1C 409178374 LNVUNQULAZQORJ-WJOKGBTCSA-N 516.553 7.208 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 409187755 BNJZIFCOMFLURZ-LMBBUSAASA-N 764.289 6.874 5 40 KKBB COc1cc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc(OC)c1OC 409192282 WEVDRPWVJICUDJ-OQYQGTIFSA-N 688.281 6.109 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)Nc1cccc(F)c1 409222590 CDQYYKRDXGRXEC-UFFVCSGVSA-N 665.291 6.513 5 40 KKBB CCN(CC)c1cccc(Oc2cc(NC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)cc([N+](=O)[O-])c2)c1 1900478 QKCNLZSAIVXBNI-UHFFFAOYSA-N 555.418 7.756 5 40 KKBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c(NC(=O)c3ccc([N+](=O)[O-])cc3)cccc12 3142919 XFFFVCAPOKETSG-UHFFFAOYSA-N 534.506 5.399 5 40 KKBB CS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)cc1[N+](=O)[O-] 3297915 BWJFASWEHATFHU-HXUWFJFHSA-N 556.902 5.207 5 40 KKBB COc1c(C)cccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c2)CC1 9934607 CKYWOUQKWSDISI-PDAMRLRISA-N 532.685 5.891 5 40 KKBB CCc1cccc(CC)c1-n1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cccnc1 15980233 YMYOEVZIPHVJPF-UHFFFAOYSA-N 518.599 5.102 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(Br)cc3)CC2)cc1 33358001 RDSQTNRSDCFQPD-UHFFFAOYSA-N 555.436 6.085 5 40 KKBB O=C(Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 98003569 AVMMDUAKTCEZPS-UHFFFAOYSA-N 546.468 5.324 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 100198058 OPIMHWFSNWGFGD-PRLWALMFSA-N 587.654 5.099 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1)c1ccc([N+](=O)[O-])o1 100363920 POKNALRERJQDAE-UHFFFAOYSA-N 554.094 5.615 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 102556678 PWBZMRUOQXZBRM-SDHOMARFSA-N 582.407 5.206 5 40 KKBB O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)N(Cc2ncc(-c3ccc(Cl)cc3)o2)Cc2ncc(-c3ccc(Cl)cc3)o2)cc1 102771270 ZFRVEVAMSGVQLR-OUTSHDOLSA-N 595.439 6.308 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c2=O)=N1 104945048 BLNQEADIDHEKAD-UAMLYEQYSA-N 608.651 5.798 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl 105251011 HNRSCUYBNDLTKB-UHFFFAOYSA-N 603.728 7.497 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Br)C3=O)o2)cc([N+](=O)[O-])c1C 215103694 LMZSGPCGNJEHOW-SRZZPIQSSA-N 513.369 6.471 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222619175 IHBNREFZHUDSDO-PMERELPUSA-N 744.064 5.909 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223454986 JPVQFCNWWDDWFR-NDOVKIIASA-N 721.276 6.624 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223958659 YWJOAZBUGRHKGB-FQEVSTJZSA-N 712.052 6.543 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224461028 NYZKMTHACWYHSI-VWLOTQADSA-N 552.469 5.455 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225204405 LKPUINMYBVGJKF-NDEPHWFRSA-N 689.206 6.156 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260966678 IDGVWROTMKIPDN-PSXMRANNSA-N 698.842 6.114 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260990783 NPROBWYKULYQNF-PGUFJCEWSA-N 684.815 5.806 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408564956 GUOFDSZWBGIMJQ-HGMMTPDKSA-N 516.356 5.233 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408565050 BBSDPSAAUBCATO-RUZDIDTESA-N 614.478 6.334 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 408565651 CQZFIBLWBBJIFB-DEOSSOPVSA-N 584.452 6.244 5 40 KKBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 408651693 NVRUDHDLCOEDAC-OVEGOBCQSA-N 636.444 5.558 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408686933 SSFOUDUJDHPMGU-SNINSWTHSA-N 703.533 6.161 5 40 KKBB Cc1ccccc1NC(=O)CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 408748476 ATSODKFWNLYJDC-UHFFFAOYSA-N 504.549 5.044 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1cccc2ccccc12 408869849 UIXGAVYSNKIZJI-FUFNRSNVSA-N 600.052 5.773 5 40 KKBB Cc1c(Br)ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(C45CC6CC(CC(C6)C4)C5)cc2)C3=O)c1C 409003138 YFTKDSFTXWBRGF-UHFFFAOYSA-N 650.573 9.139 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Br)cc4)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409346529 OSPGUORNOGTRQI-PIXWUVMMSA-N 648.535 5.356 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)c3c(nc2c1Cl)-c1ccccc1CC3 1846510 OFIVVEHHCFCJNQ-UHFFFAOYSA-N 597.912 7.259 5 40 KKBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2o1 8833161 GOLIFMUFXNMLMY-UHFFFAOYSA-N 501.568 5.438 5 40 KKBB CCOC(=O)[C@@H]1CCCN(CCCNc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1 9461715 GNWCICJEHIWFCV-LJQANCHMSA-N 525.605 5.018 5 40 KKBB O=C(OCc1nc2ccccc2s1)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 13524880 UGVQYRPXXSLQBL-XDJHFCHBSA-N 507.571 6.987 5 40 KKBB Cc1cccc(/N=c2\oc3ccc4ccccc4c3cc2C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)c(C)s2)c1 97959430 SJPBPCABCIVYNV-WASYMBJWSA-N 593.708 9.603 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]3c2ccc(OCC)cc2)cc1 97971168 OVEBLQBUPDIOPA-IXXPZIILSA-N 560.050 7.482 5 40 KKBB Cc1ccc(C(C)C)c(Oc2cc(NC(=O)c3nn4c(c3Br)N[C@H](c3cccs3)C[C@@H]4C(F)(F)F)cc([N+](=O)[O-])c2)c1 97999641 LSUWMYCXWOUUCL-NZQKXSOJSA-N 664.504 8.752 5 40 KKBB C[C@H](Nc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100323453 COIIQAYYQVRULX-JEUFTWPBSA-N 538.714 5.264 5 40 KKBB CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC 102983939 QUHKMDJLJIBVDI-XKBXTGQUSA-N 574.715 5.237 5 40 KKBB COc1ccc([C@H](CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 103006424 ZYMBQJNTZYAVIU-DEOSSOPVSA-N 534.638 5.503 5 40 KKBB COc1ccc(OC)c(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc([N+](=O)[O-])cc2)CCC3)c1 103139115 OFHDZXFFJSCIRJ-SILNSSARSA-N 553.571 5.833 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N23)c1 103547617 VRNRUJWSUQUVEG-CWDXJPQLSA-N 599.643 6.158 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103553039 KHCVIOANXKIKGD-JUQCDRLLSA-N 571.589 5.460 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@@H](c2cc([N+](=O)[O-])ccc2OC(F)F)NC(=O)N(Cc2ccccc2)[C@]1(O)C(F)(F)F 110551211 MVACBLJAGZFVNS-YCRNBWNJSA-N 571.480 5.274 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)c1 111468255 VSXINYNVAKLALF-LAUBZIAYSA-N 592.633 5.051 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223679636 HRYKXPJOMZFGLX-INJOXJOKSA-N 725.239 6.454 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225207813 BBINSJGFGNEPJD-HHHXNRCGSA-N 631.151 5.094 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 225562387 POSZAIZRDACMRC-IZLXSDGUSA-N 541.633 5.814 5 40 KKBB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225598777 OINCMGDNBNYTGG-IBGZPJMESA-N 607.516 5.039 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 408568827 UUEKCJHSZCJKAC-OCAOGGMISA-N 568.457 6.026 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C(=O)O)o2)c1 408633390 MTUSHRZRDICPLE-FMCGGJTJSA-N 614.430 6.221 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)C3)cc2)cc1 408650279 MEASDKLMJPBAIN-VWLOTQADSA-N 614.632 5.117 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408651547 GVBQLJMMBCHEOM-WOQLAOQXSA-N 612.469 5.738 5 40 KKBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Cl)cc2Cl)C(=O)c2cccc([N+](=O)[O-])c2)cc1 408686320 ROJJSMFEWQAFMF-QFIPXVFZSA-N 506.363 5.508 5 40 KKBB COc1ccc([C@@H]2C=C3c4c(ccc5ccccc45)OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]23)cc1 408732567 RVVMAVWXMYEPDE-VQCLQPKNSA-N 560.562 5.587 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408823240 NJFFOESXCCVNGF-CRCYZHLCSA-N 682.980 6.010 5 40 KKBB O=c1/c(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408845845 RZAIBUVRWKKPNQ-SODCYNRPSA-N 640.548 7.113 5 40 KKBB O=C1S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1CCc1ccccc1 409007745 RCYIXNROGDUVBM-HMAPJEAMSA-N 712.303 6.662 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1cccc(Cl)c1 409174076 LBFIJGDWYGVVRS-VXLYETTFSA-N 562.785 5.946 5 40 KKBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409182029 HQOIJPOPESRBOF-UHFFFAOYSA-N 596.957 5.821 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O 409193217 FQPRUTFRAIRYGW-FZYNABOYSA-N 667.093 7.390 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409224596 IJBNKZFZCGFRCM-CIAFOILYSA-N 538.354 5.038 5 40 KKBB Cc1cccc(CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)c1 409229130 KDMHCYOFVYDNOU-WSDLNYQXSA-N 512.349 5.882 5 40 KKBB CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2cc(Sc3ccccc3)cc([N+](=O)[O-])c2)c(C(C)C)c1 3622678 MLPBBMYONSSEKN-UHFFFAOYSA-N 512.697 7.917 5 40 KKBB O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 8385914 RNQHLEHYHHCXEH-UHFFFAOYSA-N 578.068 8.413 5 40 KKBB CCn1c2ccccc2c2cc([P@@](=Nc3ccc([N+](=O)[O-])cc3)(Oc3cccc(Br)c3)C(C)(C)C)ccc21 97984156 OJRGVPFZNJEIKB-KXQOOQHDSA-N 590.458 9.436 5 40 KKBB COCCCn1c(=N)c(-c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc2c(=O)n3cccc(C)c3nc21 101337863 AUHNAJKDFJUQGS-UHFFFAOYSA-N 617.156 6.231 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1 105355311 QDAFKHQFNYOKNW-JQIJEIRASA-N 540.551 5.608 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 106725497 IQOBMUULXOYSRO-BKUYFWCQSA-N 605.444 5.370 5 40 KKBB O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112230250 GCWUVLFHVNWIOR-UHFFFAOYSA-N 523.343 5.254 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccccc1 150391421 ITILIDMUKRIQRK-JQTKYWOZSA-N 656.514 5.866 5 40 KKBB c1ccc2c(c1)-c1nc3nc(nc4nc([nH]c5[nH]c(nc-2n1)c1ccccc51)-c1ccccc1-4)-c1cc2c(cc1-3)-c1nc3nc(nc4[nH]c(nc5nc([nH]c-2n1)-c1ccccc1-5)c1ccccc41)-c1ccccc1-3 150421505 ONGKQSYJKMSLFO-UHFFFAOYSA-N 950.990 11.858 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222680445 PIVJCNSFZDVGRN-YTTGMZPUSA-N 663.196 5.856 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224895075 IXTBITCMDJFRMP-HXUWFJFHSA-N 651.569 5.357 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl 225251539 RDPXJKWCVLKTOY-CLJLJLNGSA-N 563.039 5.196 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1NC(C)=O 225331494 HVUPFEGNUDRBEC-SVBPBHIXSA-N 559.604 5.403 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261003632 QIBFBXUGJXSYNB-PGUFJCEWSA-N 702.805 5.945 5 40 KKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1Cl 408542168 HSDXVVYXVGLUMO-DAXSKMNVSA-N 575.186 6.951 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408566435 NYNLGKOHGTUJJM-OYMMJLNRSA-N 532.811 5.748 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc2ccccc12 408566729 GADSRSSVZJQJSP-GDLZYMKVSA-N 633.568 7.806 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408567083 GITJYLZDQJIJPK-DEOSSOPVSA-N 656.361 7.872 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1 408572678 RSYYWRTWJGXNBV-DEOSSOPVSA-N 608.345 7.643 5 40 KKBB Cc1c(Cl)cccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1 408748662 BPOAXQNARYVOSN-UHFFFAOYSA-N 557.009 5.848 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(OCc3ccccc3Cl)cc2)N1Cc1ccccc1 409113946 HVBSFLHMMFBIAK-UMSFTDKQSA-N 590.079 8.189 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccccc1Cl 409156177 SWHITKAJEGJISR-UHFFFAOYSA-N 500.993 5.381 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409177363 FJGGRIPOPTXBCG-DHRITJCHSA-N 615.586 7.096 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409177917 DTGASBZCOAEXGZ-SANMLTNESA-N 540.915 5.830 5 40 KKBB Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409180609 YADOFGABTPOJQJ-HHHXNRCGSA-N 554.942 6.138 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O 409235362 ZWIPSEDFEGBSFB-XDHOZWIPSA-N 521.389 5.781 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409246608 JLTPHYPEQVKNIJ-LPYMAVHISA-N 507.930 5.319 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)o1 409274942 RJSFJIBMIUAFNE-WSDLNYQXSA-N 507.524 5.155 5 40 KKBB Cc1[nH]nc(O)c1C(c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1c(O)n[nH]c1C 409361353 GZQBKWFRZNIAEM-UHFFFAOYSA-N 593.232 5.353 5 40 KKBB O=C(Nc1cc(Oc2ccc(Cl)cc2C2CCCCC2)cc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12 4421669 BWCLOHMEDMIHSK-UHFFFAOYSA-N 578.068 9.556 5 40 KKBB Cc1cc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)ccc1Cl 6194211 SUMGCTQJQYDSEF-UHFFFAOYSA-N 509.975 5.447 5 40 KKBB O=C(Nc1cc(Oc2ccc(I)cc2)cc([N+](=O)[O-])c1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 8427040 COFRECVSBXGUNR-UHFFFAOYSA-N 645.335 6.973 5 40 KKBB O=[N+]([O-])c1ccc(Oc2ccc(OCc3ccccc3)cc2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 13063422 ZFPPPWCYBZKOQN-UHFFFAOYSA-N 510.955 6.420 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc3c(c2)OCO3)n1-c1ccc([N+](=O)[O-])cc1Cl 102480093 CJXGFPGHPPMZJY-KRXBUXKQSA-N 573.730 5.451 5 40 KKBB Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccncc3)n2-c2ccc(Cl)c(Cl)c2)c2ccccc2)c([N+](=O)[O-])c1 103079478 UWXLIZLTONZMOV-VWLOTQADSA-N 591.480 7.325 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1ccc(-c2ccccc2)cc1 103629756 VFTRTYIIVXOXIA-FTTXPQLCSA-N 568.633 5.477 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105307897 XRCYWFUWIOWDRW-UHFFFAOYSA-N 529.622 6.055 5 40 KKBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1C 139819904 GQISYSQKHSFODZ-OAQYLSRUSA-N 586.099 5.358 5 40 KKBB CCOC(=O)c1sc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C2=O)c(C(=O)OC)c1C 150441543 FXZOKGRNFKHJRE-IARZGTGTSA-N 715.693 5.207 5 40 KKBB C[C@@H]1C[C@@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O 163941282 JYVXLXLGVVOETR-PIIWDFAUSA-N 665.127 7.272 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223820299 RUPZCTQPHKSMHN-MHZLTWQESA-N 635.570 5.821 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225038234 KRUBQKWCSGNKCY-XIFFEERXSA-N 709.652 6.796 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 225540410 NGVAPUISSKIOFC-UIOOFZCWSA-N 513.579 5.251 5 40 KKBB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 253589838 ACTTVKYFPXTCSY-VMGOQZOXSA-N 526.976 5.964 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408566608 FTARANYDIBVMEY-DEOSSOPVSA-N 570.027 6.143 5 40 KKBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)c1 408678782 DAMXFWBCUSKNOY-HZCFWTAGSA-N 682.127 5.290 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1 408684319 OUHQOMBLIOQIOT-IBGZPJMESA-N 593.203 5.020 5 40 KKBB Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 408736585 CZZRMQWTMOBFLZ-MUUNZHRXSA-N 507.590 5.710 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408825636 DJQDJJMXNIMKBT-PLNPHXOGSA-N 635.698 5.811 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3c4ccccc4cc4ccccc34)c2=O)=N1 409036496 LJPBBSRPEJSGED-ASUJOLEISA-N 641.587 6.656 5 40 KKBB CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)N(CC(=O)OC)C2=S)cc1 409058326 NUMZCOIFWFZKON-IWIPYMOSSA-N 610.486 5.646 5 40 KKBB COc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1ccccc1 409116966 VVMQXCBFEBYUNJ-PGUFJCEWSA-N 585.660 7.544 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc45)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409176753 WQHJEGTYLSTEHW-KOHOJCOXSA-N 619.699 5.747 5 40 KKBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(Oc2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2)cc1 409179508 QZHHVWBOGGCLPB-UHFFFAOYSA-N 528.473 6.009 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 409206671 ZVPRHLMDNIQSEC-NDENLUEZSA-N 504.524 5.074 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409265842 WETRXHKLCLEWPA-ZMOGYAJESA-N 642.440 6.162 5 40 KKBB COc1cccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409276055 XXHXDMWLKOKJNN-JAIQZWGSSA-N 527.898 6.198 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 827006 UPIZDMQJMXYFIK-UHFFFAOYSA-N 525.468 6.429 5 40 KKBB COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1Cl 1847544 JJLJUXQIWBDWOB-GDLZYMKVSA-N 590.043 7.546 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C(=O)N1c1ccc(Cl)cc1 2220835 ACWZLUCEXNVHEH-DSNGMDLFSA-N 531.977 6.028 5 40 KKBB O=C1O/C(=C\c2ccc([N+](=O)[O-])cc2)C(c2ccc(Cl)cc2)=C1c1ncc(C(F)(F)F)cc1Cl 8781625 DVADYNIXSLYIAC-NVMNQCDNSA-N 507.251 6.824 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1 9500081 FVWZUVLOVQAJFF-VXNXHJTFSA-N 507.930 5.088 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccccc4[N+](=O)[O-])cc3)nc2c1 22828142 VILBMUNABGNUCZ-MRXNPFEDSA-N 504.568 5.809 5 40 KKBB O=[N+]([O-])c1cccc(C2=CSC3=NC4=C(CCC/C4=C\c4ccccc4Cl)[C@@H](c4ccccc4Cl)N23)c1 100814430 XVFHCKGPCPGKSI-SMFXCRCKSA-N 546.479 8.881 5 40 KKBB O=C1[C@H]2[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)cc1 102710033 ACWZLUCEXNVHEH-ISJGIBHGSA-N 531.977 6.028 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(-c2nc3ccccc3s2)c1O 105310752 OKDFVTDCIIBVFJ-UHFFFAOYSA-N 533.635 5.613 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 163280259 DDGXJLLELFBPHW-JCBRUWBUSA-N 675.763 6.222 5 40 KKBB O=[N+]([O-])c1cccc(OP2(Oc3cccc([N+](=O)[O-])c3)=NP(Oc3cccc([N+](=O)[O-])c3)(Oc3cccc([N+](=O)[O-])c3)=NP(Oc3cccc([N+](=O)[O-])c3)(Oc3cccc([N+](=O)[O-])c3)=N2)c1 195803755 FYZQGSFNAKDCBA-UHFFFAOYSA-N 963.555 11.762 5 40 KKBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)cc1C 211049158 WFPOWKOOLSJUFH-TURZUDJPSA-N 527.602 6.192 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214770391 FWEBRKCEIDRAKX-ZMOGYAJESA-N 559.427 7.116 5 40 KKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214810116 BNWNDOPDASMMDT-DJKKODMXSA-N 509.754 7.052 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222713689 FQAVUJJMNXPNEJ-SANMLTNESA-N 621.543 5.429 5 40 KKBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223904595 YJZBZVAUWUUHHG-INIZCTEOSA-N 524.470 5.611 5 40 KKBB C[C@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)C1 224150160 ZCUHWIAVXUBRDS-BLQAFSTQSA-N 588.133 7.563 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 224750410 QTOZHFTZHQIBPD-LOYHVIPDSA-N 563.639 6.759 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224873488 PYNYDSVEJSSYNF-XIFFEERXSA-N 675.207 6.142 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224904838 PEGUWICOXUONHJ-UMSFTDKQSA-N 753.705 7.113 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225081473 GZTYBHKALVHOGD-WJOKGBTCSA-N 650.798 5.672 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225138489 NTIWMMGUDFBCCH-QFIPXVFZSA-N 691.634 6.280 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C 225167535 MMPQPQQBJVVKIJ-SXOMAYOGSA-N 526.622 5.615 5 40 KKBB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 225354769 KGDVSTXJACAMQC-IZZNHLLZSA-N 500.580 6.214 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2cccc3ccccc23)c(Br)c1 408564437 CVCJRIYGFMHJBV-WQHMJLMGSA-N 558.432 5.750 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1Cl 408569224 JEEQEXHHXICCQN-AREMUKBSSA-N 631.980 7.696 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408572025 QLCGYFFVBXKMGA-DEOSSOPVSA-N 638.371 7.651 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 408575064 VWKJTYNQENDJHR-DLXDESGFSA-N 542.419 5.539 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408732852 ABCMTNRSTZTYLY-DQARITGZSA-N 684.941 7.187 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408734224 VCUKAQBPBQYYAD-YRSDHNRQSA-N 695.493 6.442 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)c1 408787393 ZHRYEXZEUYUXJN-NBQDTTAVSA-N 575.646 5.804 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408829259 FHQSZFCPACBXNU-KEPJHFNWSA-N 727.033 6.489 5 40 KKBB O=c1/c(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408840795 GABDCZLGGLYIKF-SOJUGJLBSA-N 763.895 7.984 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409010936 GINQACNAWZXIEE-SRZZPIQSSA-N 603.344 5.019 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccccc1Cl 409066939 HZMXXCAAROTAQU-JAIQZWGSSA-N 624.694 7.593 5 40 KKBB COc1cc([C@@H](c2c[nH]c3ccccc23)C2C(=O)OC(C)(C)OC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409113874 GDQWEQQNCMXLNO-DEOSSOPVSA-N 656.429 5.853 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl 409156728 LVWWIFIJMOCFID-MXAYSNPKSA-N 688.940 6.832 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409163916 ZMOCLWPXTRVRMP-FOKLQQMPSA-N 596.599 5.701 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cl 409165497 YSJBWTLBTCFDBN-HAHDFKILSA-N 583.022 5.671 5 40 KKBB CCC(=O)Nc1cc(OC)c(C(=O)OCC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1Cl 409182831 OKXRKSOFQFDBND-UHFFFAOYSA-N 547.347 6.091 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 409192543 YPFCFBILFQWIHN-DQARITGZSA-N 753.715 7.060 5 40 KKBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)C1=O 409200380 LBTFNKOCMWFVCM-RGVLZGJSSA-N 554.499 5.794 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccccc1Br 409351230 ZQJIGLRJMYKLDI-LPYMAVHISA-N 568.405 5.611 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3c4ccccc4cc4ccccc34)c2=O)=N1 2174276 HXQVPMDEVYIMCO-HRDPZVOISA-N 593.752 7.304 5 40 KKBB Cc1ncsc1C(=O)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 8455418 ATLXYDPAHQITJW-UXVSBZDTSA-N 503.540 5.705 5 40 KKBB CC1(C)Cc2c(sc3nc(SCC(=O)c4ccc([N+](=O)[O-])cc4)n(-c4ccccc4)c(=O)c23)CO1 9488394 QBROZUYYXYMGQL-UHFFFAOYSA-N 507.593 5.182 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@]12C(c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)N(c2ccc(C)cc2)N=C1C 18268376 PFOGYUWCHWRXFJ-LNFXKIIUSA-N 507.550 5.127 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 21596026 FMRHHUVWTUWCTR-SDNWHVSQSA-N 501.951 7.437 5 40 KKBB O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)c1ccc(Cl)cc1Cl 22839641 BHHSWGLEXSRAIQ-UHFFFAOYSA-N 515.353 5.243 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105318020 YAVKDWJOVQFTGC-UHFFFAOYSA-N 580.022 5.190 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)o1 150396957 UTZHGTSNHGVOPT-USDTVRPUSA-N 627.078 5.704 5 40 KKBB O=C1S/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214891270 UBRHAAXFAKCGMP-WYMPLXKRSA-N 521.957 6.627 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223656448 WBZYZIQMWSVMLY-IDISGSTGSA-N 537.657 5.522 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224510593 HTFPXSZPXAGEMM-MHZLTWQESA-N 726.079 6.934 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 224690932 NGSNKJBWVYTDFX-KYJUHHDHSA-N 548.624 7.528 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224962942 RBJWZMSVMMZKEJ-IBGZPJMESA-N 686.014 6.011 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225243781 NSDNVSPUFCFTMI-QFIPXVFZSA-N 552.455 5.545 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 408570279 KRMGYBMRZNWAEP-XMMPIXPASA-N 600.451 5.944 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OC 408570989 MOWLPWSONUWSBV-QGZVFWFLSA-N 513.801 5.119 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1 408571582 PCSMGCNOSSPRJP-AREMUKBSSA-N 504.612 5.972 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C(=O)O)o2)c1 408635089 YRIHJLBLZYFQCS-UUYOSTAYSA-N 523.523 5.757 5 40 KKBB O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccccc1[N+](=O)[O-] 408648882 CQCAMBRRNJBHNA-FZNVTIIDSA-N 593.463 5.792 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408663110 YDHOIJJZPHLQSX-CPAHJZNRSA-N 636.444 5.392 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408686937 SSFOUDUJDHPMGU-ZYNNUQKQSA-N 703.533 6.161 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408774179 AUNNSNJLGNHKQJ-MFCBUNOESA-N 652.498 5.187 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408834890 WEJYMSFPDNIJJQ-HRIDGTDGSA-N 692.588 5.755 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 408920503 JLFOQVMVUXFQMW-ZSXMQSLNSA-N 657.727 6.233 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 408991798 YURYRXWHIDYXCF-IENUPWEYSA-N 720.985 6.528 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409108039 VFKGKCSEUANOCP-PQRKSKNISA-N 617.127 5.244 5 40 KKBB CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409131227 NSHKRPPATYIJNZ-FQEVSTJZSA-N 551.456 5.371 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409164649 LMUMKZOUMMKVMA-LSHDLFTRSA-N 584.950 5.632 5 40 KKBB Cc1ccc(C(=O)OCC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409176325 KQNJRLKYRKJFAN-UHFFFAOYSA-N 639.831 7.496 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409228807 FMIGMTIRNMMKPQ-SSDVNMTOSA-N 663.421 5.601 5 40 KKBB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)c1 409250612 RGSCPNQJDZOBQL-LPYMAVHISA-N 522.355 5.338 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C 409365817 YPGSSGWLVQPPOD-OAQYLSRUSA-N 531.038 5.026 5 40 KKBB CCN(CC)C(=O)c1ccc2c(=O)n(-c3ccc(F)cc3)c(SCc3cccc([N+](=O)[O-])c3)nc2c1 33077903 XMYXFXGMLOGONU-UHFFFAOYSA-N 506.559 5.207 5 40 KKBB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33683966 CWINCPKLNQBVIH-UHFFFAOYSA-N 508.317 7.531 5 40 KKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc2c1OCCO2 79189768 MBCZQQWYIAJMAU-UHFFFAOYSA-N 515.566 6.062 5 40 KKBB biogenic O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccccc1Cl 100960622 KZHJPPNQOISQSO-RMKNXTFCSA-N 519.682 5.315 5 40 KKBB COCCOC(=O)c1c(C)n(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2c1cc(O)c1ccccc12 101646087 JGOJTBPAOBXZOE-UHFFFAOYSA-N 531.487 5.651 5 40 KKBB biogenic,in-vitro COc1cccc(C2=NN(c3nc(-c4ccc(Cl)cc4)c4ccccc4n3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 101894497 KRIDZPXJSXQAJT-MUUNZHRXSA-N 535.991 7.223 5 40 KKBB COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 103529150 HJDDQLIAYWPZHU-NIKYWZLZSA-N 571.589 5.585 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 103547745 YEKSFGXTSXPVKO-YQQRZDPSSA-N 555.590 5.841 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 103753056 KHAUPIDJSHABFJ-KUSDHMTMSA-N 621.671 5.421 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)c1 111468254 VSXINYNVAKLALF-HDFSHUSISA-N 592.633 5.051 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)SC(c1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccccc12 163488506 PABVHWMSTBXLTO-GDLZYMKVSA-N 681.431 8.425 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223280697 MVRMRERKIRECCR-QRRWFCJLSA-N 672.804 5.662 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223555645 WDOBALXWBHEUBN-SSEXGKCCSA-N 679.593 5.329 5 40 KKBB C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223979376 WCOVYMMKNCBGER-INIZCTEOSA-N 524.470 5.611 5 40 KKBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)cc1 224507315 UKZNWKTWYMUZCW-PKTZIBPZSA-N 520.412 5.720 5 40 KKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1 224647699 PRPJKKLHSRCPSE-VMPREFPWSA-N 533.613 6.750 5 40 KKBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 225105296 NBAWRSQXGWKUFQ-LJAQVGFWSA-N 561.704 5.536 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225375849 MQZNTYFTHHYIPO-YTTGMZPUSA-N 663.196 6.000 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260944319 JCQHXOSQJYJDTB-HRFSGMKKSA-N 635.570 5.819 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 260960441 XZKKZDXWAUOIIY-MGBGTMOVSA-N 642.778 5.511 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 408564851 AOKLGLOMFXZHJR-VWLOTQADSA-N 543.020 6.456 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408564954 GTWVSJORXOCCFF-YJIIWGRFSA-N 570.415 5.088 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 408569376 WCJWWADNIOIXGW-YKZUFBCQSA-N 523.589 5.339 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 408577505 ZRISJSJXWXEPEL-HSZRJFAPSA-N 573.444 6.175 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408577789 ZWQWDHRIRFIHQV-RUZDIDTESA-N 584.054 6.452 5 40 KKBB COc1cc(CNc2ccc(Cl)cc2Cl)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408605833 GWUUYTVVSKMJQZ-UHFFFAOYSA-N 590.157 6.827 5 40 KKBB O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1ccc([N+](=O)[O-])cc1 408667405 VLSOVDMBDYSNRD-WHLOOWMUSA-N 621.473 5.474 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408679460 FFHQJLDBSXCRIW-FZDFQQAASA-N 563.997 5.698 5 40 KKBB CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 408781088 RKJAHTITXDNUAH-IYVASWNSSA-N 584.492 6.497 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC 408989388 UEIRBUYNRPXESZ-AOLPSBPOSA-N 658.914 5.391 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409043558 MYTPGQSCKYUFJN-JJHILCALSA-N 704.714 5.211 5 40 KKBB COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409069170 LQHWSFKVINSEDU-MTJSOVHGSA-N 531.373 6.730 5 40 KKBB O=C1N/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1F 409097312 MXZUIRTXVUDVLX-CIAFOILYSA-N 526.318 5.168 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(SC)cc1 409192477 DDPNTMLHCZYOOG-NNAGEYCMSA-N 733.297 6.511 5 40 KKBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)C1=O 409197027 UHGBOZXAJSITKU-NPNVKNKFSA-N 554.499 5.793 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409223740 IQEHCAIBKNQRAK-ZVHZXABRSA-N 644.443 6.096 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 409244624 GLCWHMHNUXAIEK-YDZHTSKRSA-N 569.401 5.574 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 678179 NMSVILYFXCNCMJ-UHFFFAOYSA-N 503.536 5.221 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccc(C(C)C)cc3)OC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 2144900 TXAYYCWYBSIUSA-OYKKKHCWSA-N 520.969 6.694 5 40 KKBB O=c1c2ccccc2nc(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1-c1ccc(OC(F)F)cc1 3325563 IGKXUYHEHGTFCF-UHFFFAOYSA-N 509.412 6.065 5 40 KKBB Cc1cc(C)c(C)c(Oc2cc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4C(C)C)cc([N+](=O)[O-])c2)c1 13961414 DJAZKURCIUKRDX-UHFFFAOYSA-N 513.598 7.076 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14278262 ZEWHMGWCTQWIPP-UHFFFAOYSA-N 509.905 7.722 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 14291051 HMFHAGZTNIWHAV-WUXMJOGZSA-N 511.409 5.876 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3)nc2c1 21596062 MMZSHPFLQNMOAA-CQSZACIVSA-N 505.983 8.037 5 40 KKBB CCN(CC)S(=O)(=O)c1ccc(-c2csc(N3N=C(c4cccc([N+](=O)[O-])c4)C[C@@H]3c3ccc(F)cc3)n2)cc1 97966072 XATWFXXWAHWBCK-HHHXNRCGSA-N 579.679 6.244 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)N1CCc2ccccc2C1 100369055 QUVZOULZVHSLKT-OYKKKHCWSA-N 566.060 6.021 5 40 KKBB N=c1c(-c2nc(-c3ccccc3)c(NC(=O)c3cccs3)s2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1 101910770 JRKOBBJHQPJZNO-UHFFFAOYSA-N 600.729 6.476 5 40 KKBB Cc1ccc([C@H]2C3=C(O)C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 102927490 PTPKKFCTHJXSIY-UKJJDJLKSA-N 529.596 7.767 5 40 KKBB O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)OC[C@@H]1[C@H](COC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1(Cl)Cl 102939971 BILUXFIFILGVIY-OKILXGFUSA-N 566.177 5.101 5 40 KKBB COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1 102984492 GZYGZXDKEUGZLW-KRWDZBQOSA-N 566.083 6.921 5 40 KKBB COc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 103769906 NLXKNWDCTDJGGN-UHFFFAOYSA-N 530.377 6.451 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 150506916 MSBINTTVNWPQSB-YVBHXKDBSA-N 628.479 6.389 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 163708111 SSQKEJYNACMXCV-MFCBUNOESA-N 632.676 5.129 5 40 KKBB C[C@@H]1C[C@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O 163941058 JYVXLXLGVVOETR-NGOKVRLYSA-N 665.127 7.272 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccc(I)cc1 205760302 FVJPJCRBMLSFBW-SRZZPIQSSA-N 603.350 6.136 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224251909 UTZAICHDSXQLDF-HKBQPEDESA-N 649.169 5.610 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224350685 GWNJIRUVUDGEIF-JGCGQSQUSA-N 711.212 6.066 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225075284 WGBASVBESDJBGK-YTTGMZPUSA-N 762.112 7.232 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225302652 FVIXDBQVHCGNSK-VWLOTQADSA-N 513.660 5.093 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225718713 FMBLNLQSFHXCNH-FOIQADDNSA-N 526.417 5.011 5 40 KKBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)cc1 253487439 KHCJVOYEERZCRS-ZGFYEYRMSA-N 599.599 5.502 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260947019 DVIHJPMCQSXARN-PGUFJCEWSA-N 753.705 7.113 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261001707 FHZJIZDYLORARC-UUWRZZSWSA-N 741.694 6.826 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl 408571567 OZWYEKJXLZKGHH-QHCPKHFHSA-N 607.889 6.828 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCC)c(OC)c2)cc1 408572448 RENWMFYWFRGEAQ-HXUWFJFHSA-N 537.436 5.254 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1cccc2ccccc12 408573131 SPUODSVNKXLEOQ-DEOSSOPVSA-N 531.406 7.080 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 408576156 XLJCLNUFPBGHTC-XMMPIXPASA-N 603.470 6.184 5 40 KKBB O=[N+]([O-])c1ccc(NCc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1 408608945 NEUWHXAXDRJRHJ-UHFFFAOYSA-N 510.157 6.450 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408623751 YWBRICYSGULBLX-UHFFFAOYSA-N 549.992 5.313 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1Cl 408642667 NRZYPCKANNBDHD-UHFFFAOYSA-N 567.168 5.745 5 40 KKBB Cc1ccc2c(Cl)c(C(=O)Nc3cccc(C(=O)Nc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)c3)sc2c1 408710497 WOFDPXHZGZLIRP-UHFFFAOYSA-N 533.953 6.326 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730992 XLUOLTZLKMOZMX-FUFNRSNVSA-N 660.502 5.989 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]23)cc1 408731362 KADUWVWGFRKWSO-HSNHEXMOSA-N 560.562 5.587 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 409035989 KUHCHCOGBCCMMA-DBHVVYFFSA-N 715.626 6.261 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409157260 UTCYGXLKTWHASM-DHRITJCHSA-N 626.043 5.688 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 409173254 HYLNVMYZFSYEAU-SSDVNMTOSA-N 636.402 7.152 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1 409191739 MBZTWHDKRSTSPA-CCVBWGSMSA-N 723.620 5.958 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 409192631 DAYZUWQKBQXREH-RAWKODRKSA-N 740.292 6.927 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)ccc1Cl 409198474 GLIQOGTVHODSQX-UWVJOHFNSA-N 586.837 6.187 5 40 KKBB COC(=O)c1ccc(Oc2ccc(-c3nc(O)c4c5c(sc4n3)CCCC5)cc2OC)c([N+](=O)[O-])c1 409257569 TVJQTAOGTWVUFO-UHFFFAOYSA-N 507.524 5.438 5 40 KKBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1 409321064 DKVWETIEHBUGQQ-WAYWQWQTSA-N 541.127 5.210 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)N1CCc2ccccc2C1 409388828 XNGHEHPWISDVFX-CFRMEGHHSA-N 687.366 6.320 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(Br)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 8435177 NEGYDRVBLVYRCR-OHKLAEMPSA-N 741.594 7.563 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59331431 YCORTBRESLNLHW-UHFFFAOYSA-N 517.567 5.226 5 40 KKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)ccc1OC(C)C 79502226 VHOMFLGJDLVRMQ-UHFFFAOYSA-N 501.583 7.100 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6cccc([N+](=O)[O-])c6)o5)nc34)c12 98046170 XWCJFUASPQVAJY-UHFFFAOYSA-N 526.456 5.962 5 40 KKBB Cc1c(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)cccc1[N+](=O)[O-] 100958445 DIVQYLRIROALKE-UQDCTOEPSA-N 551.649 5.857 5 40 KKBB O=c1c2ccc3c(=O)n(CCc4ccc(Cl)cc4Cl)c(=O)c4ccc(c(=O)n1CCc1ccc(Cl)cc1Cl)c2c34 103759520 BEQATKLECPBWBE-UHFFFAOYSA-N 612.296 6.165 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 143991844 XHPJKMRCJNBOPB-UHFFFAOYSA-N 605.713 5.914 5 40 KKBB O=C(Nc1ccc(S[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1)/C(=C/c1ccc(-c2ccc(Br)cc2)o1)NC(=O)c1ccccc1 150483299 BBPINRNLQDDVJQ-DCGAYJQZSA-N 773.665 9.499 5 40 KKBB C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223984295 SPDPXZKRHKLYNR-HXUWFJFHSA-N 633.554 5.573 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@@H]2C=Cc3c(ccc4ccccc34)N21 230057845 QHFYVXFTSTVDLU-VWEWBFCZSA-N 549.970 5.674 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 260968834 IKHSKIHKFIXPOL-GDLZYMKVSA-N 627.163 5.022 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 261110401 XSKQHCRNZHPZAX-MUUNZHRXSA-N 649.597 5.388 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408566583 FQGMTNIKBANYCV-BABFKJTQSA-N 631.321 5.758 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl 408577113 YOJNUSOSRIKGCH-MMOZRLFVSA-N 528.392 5.149 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1 408684734 NWEUMWUSKCHEBQ-UHFFFAOYSA-N 758.999 6.490 5 40 KKBB CCCCCCOC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)OCCCCCC)c3cc12 408720765 YXEHNFOUMYFOEX-UHFFFAOYSA-N 588.748 9.591 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408755023 BDDHQKFOGKNVJW-HDFSHUSISA-N 531.593 5.487 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c5ccccc5cc5ccccc45)c(=O)n32)c1 408767955 HKLMTVGIQGNBAJ-YWEMJKAQSA-N 581.697 6.189 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 408822146 BKLSYMVBXPAOLX-IYVASWNSSA-N 717.425 6.663 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408929166 HXGGEBIFPLFVAC-WSDLNYQXSA-N 678.277 6.033 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(C(=O)OCC)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409029732 ASUOHBUCMFXWDL-PNUVFATHSA-N 838.686 5.175 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N1 409035850 QTGBKFPOLUWUCH-SOJUGJLBSA-N 722.614 5.845 5 40 KKBB O=C1N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1F 409066742 PKLRVEFWSSLZEL-YBFXNURJSA-N 501.392 5.638 5 40 KKBB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409078064 GRKZLOHLUSQFLL-STZFKDTASA-N 530.444 5.669 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409099963 SENRBMHICLIWQO-UNDLXJOSSA-N 644.775 5.180 5 40 KKBB COc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccccc1Cl 409111686 DMQDBVFAQQQDMU-DHUJRADRSA-N 699.001 8.960 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 409180756 ZVBNLIDHUOOJCU-FMCGGJTJSA-N 537.981 5.811 5 40 KKBB Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1C 409184514 YSCNKBRAECTUHN-MUUNZHRXSA-N 529.570 5.825 5 40 KKBB Cc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 409191120 SPPPDJUYFHHQNM-JAIQZWGSSA-N 586.192 5.992 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409275317 ZYRJHXGOWGVUNY-WYMPLXKRSA-N 578.559 5.596 5 40 KKBB C[C@@H](Sc1nc2ccccc2n1CCc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3258387 JIZMQNSBMQFTRH-GOSISDBHSA-N 529.647 6.430 5 40 KKBB O=C(Oc1ccc(C2(c3ccc(OC(=O)c4ccc(Br)c([N+](=O)[O-])c4)cc3)CCCC2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 4017321 UIPONIQDVMYLGK-UHFFFAOYSA-N 710.331 8.327 5 40 KKBB COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)n2)cc1OC 8832878 APUSBXFJGNCDRL-UHFFFAOYSA-N 510.553 5.122 5 40 KKBB Cc1ccccc1Oc1cc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cnc(Cl)n2)(C4)C3)cc([N+](=O)[O-])c1 13600756 WLOLHRGDABZGEN-LJQDGHHOSA-N 507.978 5.875 5 40 KKBB O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16385971 KJAYUDQBSBNYOB-UHFFFAOYSA-N 514.287 6.143 5 40 KKBB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)CC2)cc1 22828900 UYAADQFKFZMZRS-WLRTZDKTSA-N 504.974 5.171 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 97954070 UZEJOLNVKPMBNZ-UBFVSLLYSA-N 550.354 6.213 5 40 KKBB O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)Nc1nc2ccc(Cl)cc2s1 102769025 NVANRQZBJFZDKP-UHFFFAOYSA-N 531.022 5.299 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150396651 LKCWYMLGKPOBIR-KUSDHMTMSA-N 637.670 5.121 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1Cl 214902812 SMSQTFHOOSPJKS-WYMPLXKRSA-N 559.427 7.116 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222632512 HOTNRSPKQOGPRU-VWLOTQADSA-N 649.141 5.232 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224416767 YYXTVXATIHCNSB-NDEPHWFRSA-N 647.581 5.963 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224863078 MTBXCOHIVPOGPN-AREMUKBSSA-N 714.068 6.647 5 40 KKBB COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC 248163806 YXSLJKQTIDHPOT-PEZCJLBTSA-N 929.161 8.066 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260774535 XQOOGUNQGGWHLF-LJQANCHMSA-N 686.014 6.009 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261057127 NDKRRVCILWFTMB-MGBGTMOVSA-N 672.804 5.662 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl 408564677 DNYQAEBHAAGYHV-NLRIEGLYSA-N 528.392 5.103 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408568417 UJPQYLSOYXQWOL-YDOVEJIGSA-N 586.870 5.602 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCC 408573537 TUMXVUVUXFKGMW-HXUWFJFHSA-N 521.437 5.554 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc(Cl)c1 408575880 WZEZKJLSYCCXMH-RUZDIDTESA-N 617.953 7.388 5 40 KKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1c[nH]c2ccccc12 408576571 XSIGNTCNCVAMHZ-XMMPIXPASA-N 501.380 7.071 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408640750 IQOKSRUCMIJRCN-SPYNFDBNSA-N 632.456 5.987 5 40 KKBB O=C(CCCCCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 408651737 HFRRYBXUMKXXCI-CCSVULQMSA-N 578.452 5.687 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408678181 CSLAJBBLCSBOPT-TUSFPTNYSA-N 624.091 5.599 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408682091 IPPQTTCHMLSIMV-TUSFPTNYSA-N 669.088 5.507 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729730 IXRDVIZHAKPBBL-FJNIOPPGSA-N 873.463 6.755 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4c(ccc5ccccc45)C3=C[C@H](c3ccccc3)[C@H]2C1=O 408732376 QIBGKYGNJUNOOG-MUUFRUSVSA-N 530.536 5.578 5 40 KKBB CC(=O)Oc1c(Br)cc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408782245 GDGBHTBJBJPWRQ-DJTCXORXSA-N 681.362 5.677 5 40 KKBB CCOc1cc(/C=C2/N=C(Cc3ccccc3)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408839709 VLZRQRRJBJRMOG-UDWIEESQSA-N 562.987 6.620 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1 408984174 MARZOXCKIXHDJM-KUAKTGBJSA-N 690.959 6.520 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 409023324 JNYAFTIFXLUJSK-WSDLNYQXSA-N 644.276 5.539 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c2=O)=N1 409040399 UCARUDHIONDBSD-MKWGYRPRSA-N 634.508 5.048 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409042463 KXNBVPNUWWBPEW-OIUASMPBSA-N 722.614 5.844 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409221293 OBXDSUCPRSJIDL-ZVHZXABRSA-N 579.009 5.320 5 40 KKBB O=C(CSCC(=O)Nc1cccc2ccccc12)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 409335296 LLGICBCTPYFQLU-UHFFFAOYSA-N 574.709 6.960 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccccc1Br 409339669 KHNVAIMTXPSAJY-LPYMAVHISA-N 568.405 5.611 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O)N1CCc2ccccc2C1 409375926 QXQYWFPNJLWPJQ-AFPJDJCSSA-N 558.399 5.783 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccc(Cl)c(Cl)c2)cc1 409388794 NQMLHRUXRUDYLH-UHFFFAOYSA-N 522.410 5.348 5 40 KKBB COC(=O)c1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c3ccccc32)o1 409393997 UCRZTDVLKHDINY-FMCGGJTJSA-N 517.519 5.214 5 40 KKBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O)c1ccc([N+](=O)[O-])cc1 991253 HUBKAXPPHJAMJN-UHFFFAOYSA-N 532.814 5.107 5 40 KKBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@H](NC(=O)OCc3ccccc3)c3ccccc3)ccc12 2264411 VLUNEHIAOXVAIW-HHHXNRCGSA-N 509.514 5.528 5 40 KKBB O=c1cc(CSc2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)c2c(ccc3ccccc32)o1 3298767 NVIPGUGYUZQROQ-OAQYLSRUSA-N 504.011 6.329 5 40 KKBB CC(C)(C)[C@@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c4ccccc43)c2C1 6142496 LUFLXRSCTRUMDK-OAHLLOKOSA-N 513.015 7.099 5 40 KKBB CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(CC)cc(Br)c4o3)cc2)cc1[N+](=O)[O-] 10119733 ADZKADIEYIRUOT-UHFFFAOYSA-N 510.344 6.379 5 40 KKBB COc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nc3sc(C)c(C)c3c2=O)cc1 13401795 FOBKALLCELSNTK-UHFFFAOYSA-N 510.597 5.020 5 40 KKBB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 20412568 NNFJFKZQEWLTKW-ACCUITESSA-N 522.989 5.465 5 40 KKBB Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3O)nc2c1 38178000 VWVJECCJDQFFFF-UHFFFAOYSA-N 514.519 5.804 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(Br)c3ccccc3C2(Br)c2ccccc21 68583018 VGJLTZJDWUGPKF-LMHXZZLNSA-N 554.194 5.005 5 40 KKBB CCCOc1cc2nc3c4cc(Br)cc(Br)c4n(Cc4ccccc4)c3nc2cc1OCCC 102795500 JUNUMPXRYBDZQC-UHFFFAOYSA-N 583.324 7.889 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 103531347 QZCMMIUCUBLAPD-DZDVJMQSSA-N 576.008 6.230 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccc(C)cc1)[C@@]21C(=O)Nc2ccccc21 103549907 ZJYJLYAGGWEYIV-RAESKKBESA-N 569.617 6.149 5 40 KKBB COc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 103780206 WFBMBOZESCJQCX-UAMLYEQYSA-N 596.064 6.149 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106683146 RLDJQMDVRKAHCO-FMCGGJTJSA-N 575.020 5.569 5 40 KKBB O=C(c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 150476617 SUFDACWJDQXKOH-XMMPIXPASA-N 717.876 7.327 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(Br)cc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 163212696 ICFNXIVTCUFVNJ-UAMLYEQYSA-N 624.516 6.558 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c2=O)=N1 164201536 ZMJXIGZKVYZUDC-OIUASMPBSA-N 799.640 5.696 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccc(Cl)cc1 214982854 SMIPRGPCMYBIIL-YDZHTSKRSA-N 650.878 7.067 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222589994 PYUNBZKYIRNQGW-HHHXNRCGSA-N 554.112 5.894 5 40 KKBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222911921 OGCDLHJPTWKBCW-LJQANCHMSA-N 621.543 5.429 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224328764 SHJVNVGCNAYZDK-HKBQPEDESA-N 663.196 5.998 5 40 KKBB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)[nH]1 224762893 BEGNHHVQWSSHRS-DQEYMECFSA-N 501.637 6.263 5 40 KKBB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-n1cnnc1 224765847 OFROSRORVPGRAW-SVBPBHIXSA-N 568.688 5.639 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225577435 FVXHTOBMTOVBOZ-HHHXNRCGSA-N 635.570 5.224 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)c1 229871980 VRNRUJWSUQUVEG-RJISQBBCSA-N 599.643 6.158 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260748011 PGFUXYWPBYBCFV-HXUWFJFHSA-N 651.569 5.356 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260977312 NOOFQUANEOQGTG-LVXARBLLSA-N 679.623 6.136 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c1)[C@H]1CCCN12 408565507 LAHAGXJDTNRDCM-LADVCJOISA-N 558.849 6.280 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1cccc(F)c1 408567109 GMBRMPAEEDLMIZ-XMMPIXPASA-N 543.020 6.374 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 408567154 GQBPJFOOWMWVEE-XMMPIXPASA-N 648.377 7.189 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc(Cl)c1 408575884 WZEZKJLSYCCXMH-VWLOTQADSA-N 617.953 7.388 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408679961 FPSQCKXMURTFTE-TUSFPTNYSA-N 658.536 6.252 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733939 SKQRIVQCMSPGDK-ZJTZAHLKSA-N 660.060 5.578 5 40 KKBB Cc1cc(Br)ccc1-c1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1cccc(O)c1)C2=O 408758195 WUFRBHDKXBNKTB-UHFFFAOYSA-N 503.308 5.992 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 408865962 FMMXZIPLCCXJID-JMIUGGIZSA-N 581.912 6.211 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408937603 KAHCMAYOEBPEFX-VPHSIRQSSA-N 737.585 5.743 5 40 KKBB CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)N(C)C2=S)cc1 409031972 IGBDEEKHWBWRQQ-HAHDFKILSA-N 568.449 5.939 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4F)c(I)c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 409091227 RVGMBPIRHZVFMK-DJTCXORXSA-N 825.394 5.634 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409157523 VURXWKJYOQXJQA-CVKSISIWSA-N 561.616 5.864 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Cl)cc1 409169265 PCECXORFLFCGMB-UUYOSTAYSA-N 602.850 6.265 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 409169974 SBTQOUMLDQKYGI-SRZZPIQSSA-N 561.469 6.220 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 409179748 NMQJWESQNIHCTE-UHFFFAOYSA-N 553.574 8.021 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O 409245243 PPVXZDKYFCIUNA-FSJBWODESA-N 609.433 5.039 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409263766 MOOFDBOBOFNRBW-ZMOGYAJESA-N 617.558 6.488 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1Cl 409270823 AYNMNALNMHBQPI-JJFYIABZSA-N 590.466 6.736 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(F)c(F)c1F 409272979 OUBDTXVZWBKURR-CAOOACKPSA-N 537.859 5.601 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc([C@H](C)CC)ccc4o3)ccc2Cl)cc1[N+](=O)[O-] 1847905 HIZHQHZFMUEXBW-OAHLLOKOSA-N 553.040 7.095 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1Cl 2059492 ALXZBRSOICMMOM-RWTNITNYSA-N 584.437 5.273 5 40 KKBB Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OC(C)C)c1-c1ccc(C2CCCCC2)cc1 2110704 WVXLSUWGXAYZPG-UHFFFAOYSA-N 506.624 7.497 5 40 KKBB Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c2ccccc2)cc1Cl 12566879 AZUOVBZVLPIBGA-AREMUKBSSA-N 522.001 6.330 5 40 KKBB CCCc1nc2sc3c(ncn4c(SCC(=O)Nc5cccc6ccccc56)nnc34)c2c2c1CCCC2 97952252 QADVNHAOMSGYSU-UHFFFAOYSA-N 538.702 6.603 5 40 KKBB O=C(OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 100390699 LYKHOXDFSYOSHL-UHFFFAOYSA-N 527.920 7.115 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 103629803 MKXCEEQZMMYVCC-OMZRFSFHSA-N 605.478 5.270 5 40 KKBB CCc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 105306174 VFNDWHHQKSFUFK-UHFFFAOYSA-N 529.622 6.083 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 106702328 KDOPULUHSCVNEG-UCQKPKSFSA-N 504.520 5.368 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](OC(=O)c4ccc([N+](=O)[O-])cc4)CC[C@]5(C)[C@H]3CC[C@@]21C 123233376 KZIYWQYTGHYKMG-AOQDIDSQSA-N 551.768 8.373 5 40 KKBB O=C(c1ccc(Cn2c(SCc3ccc([N+](=O)[O-])cc3)nc3cc4c(cc3c2=O)OCO4)cc1)N1CCN(c2ccccc2)CC1 150445074 GAUWQCQCPQRVNJ-UHFFFAOYSA-N 635.702 5.336 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223245543 GFLFNRINFXHIBS-XIFFEERXSA-N 658.777 5.192 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223617433 BHYTULVASYLUAZ-HKBQPEDESA-N 748.085 6.844 5 40 KKBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 224260190 STDNHDDMGLHWPH-MHZLTWQESA-N 533.694 5.691 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1NC(C)=O 225333579 UBZDZOSXOWNEIA-UIOOFZCWSA-N 529.578 5.394 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225346086 ZMSKQLSPKITCDZ-MUUNZHRXSA-N 580.081 5.725 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225732141 RCLAXGGVBCSJND-YTTGMZPUSA-N 628.751 5.202 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 225763403 XZKKZDXWAUOIIY-XIFFEERXSA-N 642.778 5.511 5 40 KKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](OC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)c1cccnc1 245284911 UWJZZKYOTLHWCO-KDGPEKFPSA-N 711.881 10.374 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260952301 UDNMMZQLUMPDTI-MGBGTMOVSA-N 741.694 6.826 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260994597 OIJZVWQTNQTXMG-UUWRZZSWSA-N 798.156 7.222 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408568941 VIYXEUARRWREKR-DEEGFUGBSA-N 534.012 5.372 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 408571720 DJBKKRLWYFMUGQ-DHZHZOJOSA-N 530.528 5.110 5 40 KKBB Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408645381 SHOHVSLDXKMRDK-CQSZACIVSA-N 526.332 5.135 5 40 KKBB Cc1c(Cl)cccc1N1C[C@H](C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC1=O 408655259 RKPBQIZBQUKEFL-GOSISDBHSA-N 508.914 5.128 5 40 KKBB O=C1[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 408918367 JPBRNHHXBKXWNW-YQORSWRPSA-N 509.743 5.104 5 40 KKBB CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)N(CC(=O)OC)C2=S)cc1 409061546 FHSWYCGGQGYORE-OYKKKHCWSA-N 640.512 5.655 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 409083390 OFFYODPONWEDDM-JLHDDXNDSA-N 606.660 5.359 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409095949 BXHFSNMDVVYESW-YNMQQHPQSA-N 653.613 6.470 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 409101413 XPDYIULRJYGDMZ-HMXFMCBNSA-N 667.794 5.507 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409122594 ACXBBVUMQOTLBD-OEAKJJBVSA-N 531.030 6.843 5 40 KKBB CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 409162090 COXJQFWPTDJOHJ-RGFRMHDHSA-N 587.654 5.064 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl 409169151 PDPQJYMPKXPUMO-SRZZPIQSSA-N 590.397 6.013 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409174185 SXEBPHXXMBDFQG-CIAFOILYSA-N 528.348 5.977 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409202120 ZUNJUKUHDMYHFG-DHRITJCHSA-N 547.589 5.474 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)c1 409269296 AVQKAZLAUCEOPR-CXABMRDKSA-N 623.735 5.027 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409274714 WZFZPQOHOOBIQY-JVWAILMASA-N 573.627 5.194 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409274825 GDAIRJLORNNCNZ-JJFYIABZSA-N 564.925 7.699 5 40 KKBB O=C(O[C@@H](c1nc2ccccc2[nH]1)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 409331149 CPAHQSYSOUYHFA-WMPKNSHKSA-N 592.524 5.752 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 33358557 WXELPYPMLCMPQP-PKOBYXMFSA-N 626.386 7.459 5 40 KKBB CCOC(=O)c1c(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccc([N+](=O)[O-])c2)CCC3)sc(C)c1C 97979604 STGCUABYHRHUNT-RCCKNPSSSA-N 599.665 6.670 5 40 KKBB O=C1C2(CCCC13COC(c1c4ccccc4cc4ccccc14)OC3)COC(c1c3ccccc3cc3ccccc13)OC2 97983660 RDYQWYUIPQDACG-UHFFFAOYSA-N 594.707 8.816 5 40 KKBB COCCn1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 97983964 VCLYJAAHXMFEEA-UHFFFAOYSA-N 580.022 5.186 5 40 KKBB Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2Br)cc1 100236582 GMUWUWASWHVOER-YDZHTSKRSA-N 582.432 5.920 5 40 KKBB COc1ccc(CCn2c(-c3ccccc3Cl)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1OC 102581395 OHOOKIUVHORWTK-UHFFFAOYSA-N 567.823 5.846 5 40 KKBB C[C@H]1CC[C@]2(OC1)O[C@H]1[C@H]3C=C[C@H]4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@@H]1[C@@H]2C 102812782 ULNDHEVVJSRKCY-OYYZAICVSA-N 509.643 6.317 5 40 KKBB Cc1ccc(N2C(=O)/C(=C\Nc3cc([N+](=O)[O-])ccc3Nc3ccccc3)c3ccccc3C2=O)c(C)c1 103004001 NEFBNHRJKRTXCL-BWAHOGKJSA-N 504.546 6.595 5 40 KKBB COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 103088090 MDFUAEVLYTZLFK-CTBJKRMSSA-N 602.043 6.875 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1Br 103540260 SKBFYJCKVOADAM-QYOOZWMWSA-N 588.414 5.073 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 103552461 FCQOIALZWRCTEL-KVOHOPFUSA-N 585.616 5.850 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 103754686 KIWQPMSZKFRLPL-UHFFFAOYSA-N 543.424 5.950 5 40 KKBB CC(C)(C)c1ccc(-c2nnc(Sc3ccc(C4OC(=O)CC(=O)O4)cc3[N+](=O)[O-])n2-c2ccccc2)cc1 103763907 JEADJRPKCUNDMI-UHFFFAOYSA-N 544.589 5.780 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccccc1 111465616 UXUZPZDJDFBHEV-CLNXTWJPSA-N 591.645 5.412 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223495818 NOYSKQKFBGBICQ-NLGDKJDOSA-N 663.196 5.998 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223806459 KADUPTNJJXJHPP-NLGDKJDOSA-N 707.647 6.107 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(Sc4ccc(Cl)cc4)o3)cc2)cc1 224785488 GCIRQFLLMPGTHW-WDYNHAJCSA-N 617.177 8.716 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260926057 HDOFYYSAPKOVLG-HRFSGMKKSA-N 635.570 5.819 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc2ccccc2c1 408564785 AFHMDQDVKIIFHO-GDLZYMKVSA-N 575.090 7.470 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccccc1 408566798 GDRZGMJJWLQVQD-QFIPXVFZSA-N 533.412 6.711 5 40 KKBB CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC 408570897 MGHWFRKIROJORM-FQEVSTJZSA-N 507.410 5.164 5 40 KKBB CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408638771 DJCXDLYKRFGJNB-VCTPWBKUSA-N 680.155 6.060 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1C 408650263 MCTNNIQAIFUZPL-LNZWSYKSSA-N 585.616 5.344 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730391 QKHYUCUPWIDMLM-DKOMQPSQSA-N 584.437 5.273 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408732972 CBWLALHIDHRDIX-QJWUKVPRSA-N 797.365 5.190 5 40 KKBB O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408756417 RDRIIBCCPGNQPD-DDIUQFJASA-N 602.628 5.927 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(OCC)cc1 408975422 JYTSEBDNRLAWSD-DDBFQISPSA-N 548.664 5.503 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036219 AUKBFZMFRAWUNZ-FMPWNGJLSA-N 798.874 6.782 5 40 KKBB CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)N(C)C2=S)cc1 409040929 ZBWLGXJPXYKTHO-UCQKPKSFSA-N 554.024 5.839 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccccc1OC 409188106 ANQFBCRVXSSTQZ-DEDRDRDXSA-N 744.299 6.103 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409195041 SQSMIAMMOOCWSN-PNUVFATHSA-N 815.717 7.104 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409360466 PSOIAKOISZPKHF-GKTKDVHMSA-N 770.558 5.115 5 40 KKBB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 3259989 DAETVWFPPAUXNC-UHFFFAOYSA-N 523.640 5.165 5 40 KKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccccc2Br)cc1/C=C\c1ccccc1Br 5080542 XPNJDUJJRXINIT-HWAYABPNSA-N 530.172 7.369 5 40 KKBB CCOc1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4cccc([N+](=O)[O-])c4)c(=O)n2[C@H]3c2ccc(OCC)cc2)cc1 6234193 DCAYBBNFLNYKAP-DEQPFZNBSA-N 593.705 6.188 5 40 KKBB CC(C)(C)c1ccc(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 26441871 QNUTUJVHBGOYKS-UHFFFAOYSA-N 502.596 6.027 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 100347296 BLMZWCZJMVJXDF-FSJBWODESA-N 558.565 5.055 5 40 KKBB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 100397006 PUNJFFDQABDDKC-UHFFFAOYSA-N 583.394 7.405 5 40 KKBB COC(=O)c1cc2c(s1)N=C(c1ccc(F)cc1)N(C)[P@]2(=Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1 102940391 TWXKOBYUGHYNOP-BHVANESWSA-N 541.545 6.080 5 40 KKBB O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[C@@H](C(=O)c1ccc2ccccc2c1)[C@H]1OC(=O)c2ccccc21 102980497 JVKNCBVJIVEUBW-BVAGGSTKSA-N 562.456 5.685 5 40 KKBB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)cc3)CC2)c1 104146770 OUMVUWYKPUCSPZ-UHFFFAOYSA-N 586.601 5.095 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccccc5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1 104657147 AAWYJAAGWSWARW-ACHQHTMYSA-N 601.684 5.815 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 106699228 QFBWBEMUQLZHHX-JMIUGGIZSA-N 532.361 6.334 5 40 KKBB O=C(NCc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(F)cc2)n1-c1ccc([N+](=O)[O-])cc1)c1ccco1 150508119 XETWVVUTQWLAPZ-QHCPKHFHSA-N 631.671 5.369 5 40 KKBB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccnc1 224765619 DBTUWUGTCXQBGM-XZWHSSHBSA-N 578.723 7.121 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)o1 225601937 LGTQMFSODNUSPQ-SXOMAYOGSA-N 561.595 5.399 5 40 KKBB O=C1[C@H]2C[C@@H]3[C@H](C[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C1(Cl)Cl 226940155 FOKXNSDHYMSFQJ-LQNZGKCFSA-N 545.033 5.572 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 248165691 RJPHSPNOPSCOST-FUABUCQOSA-N 555.590 5.885 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408565675 LRILBXPHHMEHSC-SIJZCSJPSA-N 578.463 5.481 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Br)cc1 408565926 DHDCPXGDHFKFFA-AREMUKBSSA-N 676.431 7.805 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2c(C)c(-c3ccc(OCc4ccccc4)cc3)nc3ccccc23)c1 408647952 VROIXQLBJAPGRF-UHFFFAOYSA-N 577.593 6.502 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408687548 UPHYXFFSTYNZNV-HHLQZUTDSA-N 666.128 5.590 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408995576 BEOSFACOBMPZLM-VCLSCOGJSA-N 799.656 7.439 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 409000615 UGYCAYZQZGXPQR-OTHIGLTOSA-N 677.735 5.440 5 40 KKBB CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n21 409014699 NTFRBJIBNKCXRA-NSQMGQQPSA-N 592.717 5.520 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c2=O)=N1 409043077 ZIKUQBPGDKEGKR-FQKMCRJQSA-N 686.968 6.171 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409050389 VGNBFCPXRMICSR-IWIPYMOSSA-N 599.459 6.369 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc2ccccc12 409145504 RAMYMLGHLFXFKC-ASUJOLEISA-N 605.672 5.439 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409228550 BKJUTOHMJXWQKD-CIAFOILYSA-N 660.275 5.239 5 40 KKBB Cc1cc2nc3s/c(=C\c4ccc(OCc5cccc([N+](=O)[O-])c5)c(Br)c4)c(=O)n3c2cc1C 409394179 WUHQGRPFVXUXTF-FMCGGJTJSA-N 536.407 5.323 5 40 KKBB COc1cc(OC)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)c(C)nc32)c1 2254117 ZWRHSOZEMNDBHB-UHFFFAOYSA-N 511.969 5.311 5 40 KKBB COc1cc([C@@H]2NN=C(c3ccccc3)S2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 59409191 OKPXTTNBSYECHK-JOCHJYFZSA-N 500.374 5.642 5 40 KKBB Cc1c(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3Cl)C3=C(N=4)c4ccccc4CC3)o2)cccc1[N+](=O)[O-] 100140571 CZNSMTDXTYYCJM-SJXDCSIJSA-N 580.065 6.449 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2=O)=N1 100954372 LYTOEOVZZRLRSY-PRLWALMFSA-N 615.042 5.835 5 40 KKBB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5Cl)cc4)cc3)C(=O)[C@@H]12 101459499 QGAMWNKSVGNEGX-OLNBOCFNSA-N 558.974 6.099 5 40 KKBB O=C(Nc1ccc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1)c1ccc(F)cc1 102187101 BKBWEVHKNQNPMR-UHFFFAOYSA-N 518.432 5.953 5 40 KKBB O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 103892710 HNFPUMVTTFHZBK-UHFFFAOYSA-N 549.663 5.262 5 40 KKBB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 164763338 QBXMFGRTSMDMNJ-UHFFFAOYSA-N 645.191 8.129 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223967669 ZXPOJHPZPWJOEC-DFHRPNOPSA-N 549.693 5.391 5 40 KKBB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-n1cnnc1 224765808 OFROSRORVPGRAW-RRPNLBNLSA-N 568.688 5.639 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224951720 CJQMEXWUWVVZOG-LJQANCHMSA-N 607.516 5.040 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225401981 TZMBVQGOLHRLSW-SANMLTNESA-N 508.018 5.347 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 225692752 FCHRRTDLRMNHOI-RRPNLBNLSA-N 526.622 5.090 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 225763447 FSFYZBDSFICQQZ-XIFFEERXSA-N 642.778 5.511 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408567821 RMOPCJFNFZEDKC-ZUIZJCIVSA-N 621.315 6.256 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)c(Br)cc1OC 408570266 KPSLVAQSLFPWIQ-NRFANRHFSA-N 521.437 5.472 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc([N+](=O)[O-])cc1 408641373 KEBVAFACSHZMMV-UHFFFAOYSA-N 601.613 6.398 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(SC)cc1 408784569 UYABOUIPWZWZJN-WOSHRIRTSA-N 665.749 5.801 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408827058 UMNLKPFSPSXDHC-ZJTZAHLKSA-N 723.558 5.877 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408986482 MFJFPLDYQHJIIA-QZVQSRICSA-N 756.631 6.203 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409103233 GAJVGRHPQRRHFZ-QEEORQGDSA-N 691.593 6.740 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409145339 NTZQPMVSBBCJJU-DJTCXORXSA-N 696.605 5.036 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 409152073 DFUUKADAQBJJHX-WSDLNYQXSA-N 534.506 5.279 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409176943 BWFSDSGDXICRJL-AREMUKBSSA-N 501.516 5.209 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409182688 NIUGBMWOQINYSB-UHFFFAOYSA-N 534.502 5.485 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cc(Br)cc(Br)c1OC(=O)c1ccco1 409189784 SRNPXTFCKJWBRE-SXGWCWSVSA-N 562.126 5.277 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O 409190485 OLLAUHORAJKLTM-NSFNGMEESA-N 564.304 5.229 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 409192546 YPFCFBILFQWIHN-YRSDHNRQSA-N 753.715 7.060 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409237611 AMHWMCSCXFFFTP-DEDYPNTBSA-N 551.415 5.408 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409249195 JTPLQPNYNHPJCS-WSDLNYQXSA-N 552.381 5.346 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409264611 LJRDFCCMQLRYLI-AFUMVMLFSA-N 600.565 6.132 5 40 KKBB COc1ccccc1/N=c1\ssc2c1-c1ccc(C)cc1N(C(=O)c1ccc([N+](=O)[O-])cc1)C2(C)C 1746916 QGDJWMCNWVKWBD-FVDSYPCUSA-N 517.632 6.830 5 40 KKBB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 2798514 JYQCFWMZVFQMEV-MRXNPFEDSA-N 540.523 6.982 5 40 KKBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1 8816307 VULILEPIZQUVRS-PWHYTNLZSA-N 518.658 5.583 5 40 KKBB Cc1cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)ccc1[N+](=O)[O-] 100311777 SBDFOBRWTOFAIV-UHFFFAOYSA-N 527.356 5.306 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(F)cc1 102450486 DZKLALZBEYYUJL-XFBBMMLJSA-N 602.427 5.412 5 40 KKBB CC(C)c1ccccc1-n1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2ccccc2c1=O 103087473 PSOUDDVRGUNESG-UHFFFAOYSA-N 542.539 6.167 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)c1 150393264 AFWZADWGXQXQAK-PKYOQBLNSA-N 671.529 5.813 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222674906 BRPYDBXMCFTBMD-MHZLTWQESA-N 554.112 5.894 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223896791 NJNFDZHJICAMSF-BCHFMIIMSA-N 588.488 5.844 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224396961 VEZRBMXGOCIELL-HKBQPEDESA-N 646.741 5.484 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408574549 VEGNAKVQUOGZJP-DEOSSOPVSA-N 672.816 8.386 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cc(C)ccc3C(C)C)cc2)c1 408668620 MJNHEDIVIFLMCW-UHFFFAOYSA-N 563.607 6.118 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408678827 DJLRYXOVPNHPKM-ZYNNUQKQSA-N 669.088 5.507 5 40 KKBB CCCCCCNC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)NCCCCCC)c3cc12 408720036 JECWACYPCWGGKX-UHFFFAOYSA-N 586.780 8.737 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1ccc(Br)cc1 408732518 WFECYPFAZPKODU-UPWSPCOFSA-N 664.534 5.166 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408768372 FRMHYXYCPPSEAA-FWESEHMYSA-N 658.157 6.479 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408777882 KYGOLSALZBPJIU-CTHKJOMYSA-N 887.465 6.771 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1Cl 408825099 JEXJTIDOQNJISE-NFYDWNOTSA-N 703.398 6.355 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C1c3ccccc3C2(Br)c2ccccc21 408918796 PEEWLCDVGBLVBG-ISQHLFTMSA-N 554.194 5.261 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409031260 ACGVMEIVRWZNBP-LNXFQTKESA-N 674.570 5.052 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)cc1 409091236 RXHUOOJXMMJFRB-JLHDDXNDSA-N 622.659 5.059 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409096060 JLJICUUIGSWYPC-QTTRZTASSA-N 591.089 5.234 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC 409097383 GLWVDUPLGKEUSL-SAGCDJCOSA-N 635.746 5.023 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)ccc1Cl 409156261 NMWQCBRFDANOQA-WYMPLXKRSA-N 641.014 6.191 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 409182748 NNCRDBUFEMPYCP-LJAQVGFWSA-N 503.514 6.229 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1Cl 409269315 BCHMRQNFEMYNTE-ZMOGYAJESA-N 538.965 5.755 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)c1ccc(Cl)cc1 409275652 LAAWVKSFDVMXPU-YDZHTSKRSA-N 508.939 5.746 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1 2248360 MQCYLVRRGGEEJH-HDFSHUSISA-N 534.637 5.113 5 40 KKBB Cc1ccc(C(=O)c2cccc(N3C(=O)c4ccc(C(=O)c5ccc([N+](=O)[O-])cc5)cc4C3=O)c2)cc1C 3143018 HEYDULCNXZCASW-UHFFFAOYSA-N 504.498 5.474 5 40 KKBB O=C(Oc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(C(=O)Oc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 4134105 VJQDJFPVLSMNPA-UHFFFAOYSA-N 592.516 7.526 5 40 KKBB COc1cc2c(cc1OC)[C@H](Cc1ccc(O)c(-c3cc(C[C@H]4c5cc(OC)c(OC)cc5CC[N+]4(C)C)ccc3O)c1)[N+](C)(C)CC2 4273410 LVORPGXIHUEJFS-HEVIKAOCSA-P 654.848 6.632 5 40 KKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)nc2c1 10119758 UYSHRIOKDVPINT-UHFFFAOYSA-N 500.736 6.634 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc2)cc1[N+](=O)[O-] 101579981 DHYMXRZVUVWDFC-UUYOSTAYSA-N 528.539 5.047 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106736604 LWKJYNNZSSRMTK-KSEXSDGBSA-N 593.010 5.709 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)o1 111468879 CAKIKZMSNSQBFV-BIWBSIMWSA-N 598.662 5.112 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 147939063 AOENUWJJXHLKDK-KRWDZBQOSA-N 565.681 5.168 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 150396550 XUBSRKRBUCMRGI-KUSDHMTMSA-N 637.739 6.134 5 40 KKBB O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 164918376 OTIJVOCYAMHFEY-ZMTYCLHQSA-N 747.440 7.470 5 40 KKBB O=C1S/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215000259 PPFHCSQJIGGCAR-SRZZPIQSSA-N 698.276 6.620 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224435486 WWXXQCPHVSGTKW-YTTGMZPUSA-N 772.118 6.689 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408577805 ZZFPNJCIQVIXBX-DEOSSOPVSA-N 614.478 6.253 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408633796 PNISMORPMALBSO-YVNNLAQVSA-N 591.429 6.675 5 40 KKBB O=C(Oc1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408665381 OXEJHYHSOILNOW-LLVKDONJSA-N 609.205 5.968 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408679882 FMIRSNHHTCWUDQ-HCXPYDJZSA-N 563.997 5.698 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6C)o5)c(=O)n42)c2ccccc2CC3)c1 408775883 KPVLADJAZJZVJF-MRWVFDTMSA-N 575.646 5.804 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)S2)cc1 408786982 ZBUCJFVCKGJNCF-HBMWKUFKSA-N 572.690 7.882 5 40 KKBB CCOc1cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408819092 YDCFTQZIBPSTEF-FWNYDOCSSA-N 572.707 7.627 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 408834071 SVSLZLFTRBFARR-ZSJKCPIUSA-N 686.943 5.841 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 408958872 XEWFCASUHVYICK-BXMULHQWSA-N 708.587 5.454 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409040586 SVZHDVLMTPSBOE-KAEGSSFASA-N 771.484 6.599 5 40 KKBB COc1ccccc1N1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409059727 NSVMNSZCZZGCLR-MTJSOVHGSA-N 620.275 6.948 5 40 KKBB COc1cc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)ccc1OC(C)=O 409189085 CNKZORLDYGRGJG-JMIUGGIZSA-N 660.227 5.617 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccccc2Cl)OC1=O 409190787 QTYFWFBLKCRPAN-DWVIGKKNSA-N 553.752 5.974 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O 409206211 WEKHUJYKLPERIY-BNCCVWRVSA-N 500.747 5.538 5 40 KKBB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Br)c1Oc1ccc([N+](=O)[O-])cn1 409398973 GOCGUPLFYZGSBP-NVNXTCNLSA-N 666.235 5.178 5 40 KKBB CC(C)C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 2078948 RUVOBMOESYDWCS-LLVKDONJSA-N 519.168 5.858 5 40 KKBB O=C(Nc1ccc(Oc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2765686 NTVFVQDKYWKLLD-UHFFFAOYSA-N 588.019 9.300 5 40 KKBB O=C(/C=C/c1ccccc1)Nc1ccc(C(OC(=O)c2cccc([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)cc1 3181365 QZJWGYXFKLBHRV-NTEUORMPSA-N 538.400 6.424 5 40 KKBB O=C1N(c2ccc(Cl)c(Cl)c2)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@]2(C[N+](=O)[O-])CCCCCN12 3263770 DQCCKZFSXPBCKL-OAQYLSRUSA-N 532.211 6.716 5 40 KKBB O=C1S/C(=C/c2cc(Br)cc(Br)c2O)C(=O)N1Cc1cccc([N+](=O)[O-])c1 8383982 UGTWBLGDJFHYRX-MKMNVTDBSA-N 514.151 5.062 5 40 KKBB Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(O)n2n1 11757857 BNSPKXXMIDCENZ-SANMLTNESA-N 540.649 5.210 5 40 KKBB O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105319606 TUVQEYYQPSVTNP-UHFFFAOYSA-N 599.260 7.909 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 105498325 UELVPXGAHCCNJG-ZSJKCPIUSA-N 621.027 5.060 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc(F)cc1 105979343 NQONIKUBZAPVGP-UUYOSTAYSA-N 573.396 6.321 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)c1 111468817 LBKLCNSBHMDCOU-UNDLXJOSSA-N 606.660 5.359 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)c(Cl)c1 112240735 KFLWJMJSSASFJV-UHFFFAOYSA-N 552.012 5.328 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223332511 PLEJTPHZNDPFHH-INIZCTEOSA-N 512.459 5.468 5 40 KKBB C[C@@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)C1 224150045 ZCUHWIAVXUBRDS-AVRWMQKNSA-N 588.133 7.563 5 40 KKBB O=C(c1ccccc1Cl)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 229619391 FKWLUXZNSYSCKD-CKPORNQBSA-N 576.008 6.230 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cccc(Cl)c2Cl)cc1 408546220 RLWVDUXHMFLQJD-UHFFFAOYSA-N 508.383 5.352 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408568721 ILFQQARGFDTTDN-AREMUKBSSA-N 666.425 8.350 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408575636 WSKUWRWRYMLQBW-BWBSTZKSSA-N 617.294 5.367 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408680823 GZTGUMHRVLLKNZ-QYVZARNFSA-N 608.994 5.606 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(F)cc1 408687961 VJKYILLJRZKKIL-ZBWOKKAISA-N 670.091 5.421 5 40 KKBB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)S1 408806112 AIJFNGHSVOOCAG-UHFFFAOYSA-N 534.017 6.331 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(C)cc1 408836108 YXHXFHVCJYYJEZ-IGSNNMATSA-N 680.786 7.140 5 40 KKBB O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccccc1 409015351 ROBLDQCXSZCJEE-UDWIEESQSA-N 528.746 5.687 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409035899 UPIODUJGARJRFT-PIXWUVMMSA-N 682.549 5.525 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 409092439 YEXHHZRBSXSTRK-JVWAILMASA-N 570.627 5.980 5 40 KKBB COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409181177 YNTMIXRCUDJJEM-HHHXNRCGSA-N 570.941 5.838 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 409182433 MFCAFEIPOHITJY-MFKUBSTISA-N 547.589 5.420 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409235264 AXQYYTJYQHIQHN-ZVHZXABRSA-N 598.033 5.910 5 40 KKBB CC1CCN(C(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)CC1 409275504 VHNNMXPBIDTFLA-XKZIYDEJSA-N 574.453 5.231 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409374704 XEGDVOGETFHXDY-AFUMVMLFSA-N 561.616 5.783 5 40 KKBB COc1ccccc1N1C(=O)c2ccccc2N[C@@]12C(=O)N(Cc1cccc([N+](=O)[O-])c1)c1ccccc12 1088848 VZYGTGSGRUMRPS-GDLZYMKVSA-N 506.518 5.076 5 40 KKBB CC(C)Cc1nc2sc3c(ncn4c(SCC(=O)c5ccc(Br)cc5)nnc34)c2c2c1CCCC2 1780382 JJKIUSIRVXQBSA-UHFFFAOYSA-N 566.550 6.702 5 40 KKBB CC(C)OC(=O)c1c(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc([N+](=O)[O-])cc2)N3)sc2c1CCCC2 1811158 UYTIPFIXSXUXHB-YLJYHZDGSA-N 577.585 6.209 5 40 KKBB Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@H](C)C34CC5CC(CC(C5)C3)C4)c2)CC1 9720458 CEOFYMDDTTVLJV-GSSZYLCVSA-N 502.659 5.882 5 40 KKBB Cc1ccccc1[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1 22429781 HSWXCCFJBITEKP-MUUNZHRXSA-N 515.591 5.004 5 40 KKBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)nc2c31 70708349 RNKYOHAPDAKCJS-UHFFFAOYSA-N 553.018 5.225 5 40 KKBB biogenic CCCCOc1ccc(C(=O)[C@H](CC[C@H](C[N+]2(C)CCCCCC2)C(=O)c2ccc(OCCCC)cc2)C[N+]2(C)CCCCCC2)cc1 95856917 HZQBNIXCSYZYBH-XPSQVAKYSA-N 663.000 9.164 5 40 KKBB O=C(OCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])o1 97979937 LWMNBOFUVOGBED-ORKZNYJLSA-N 521.476 5.446 5 40 KKBB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(ncn5c(SCC(=O)Nc6ccc(Cl)cc6Cl)nnc45)c23)CO1 97999841 ITRLGWSFOPQHEK-UHFFFAOYSA-N 630.583 5.613 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(Br)cc1 100264039 HZGLEXWOXFTISL-RGFRMHDHSA-N 583.507 5.867 5 40 KKBB COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 100598933 YZJUOFNRONPAHA-UHFFFAOYSA-N 566.419 6.108 5 40 KKBB O=C1c2cc([N+](=O)[O-])cc(C(=O)N(c3ccccc3)c3ccccc3)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 100931259 ZZEOHAJZPLRJHC-UHFFFAOYSA-N 510.418 5.601 5 40 KKBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccc([N+](=O)[O-])cc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 101155294 WHORAWYKUZATPJ-FCEKVYKBSA-N 549.539 5.174 5 40 KKBB CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 101539895 PWBCNOWNLUBNBZ-OYRHQHFDSA-N 582.407 5.075 5 40 KKBB COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)sc2c1CC[C@@H](C(C)(C)C)C2 102869541 KNSZFXQHZICIMJ-XRNKBYASSA-N 589.670 5.645 5 40 KKBB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 102984351 IMOMKDBDUCTPGI-INIZCTEOSA-N 570.502 7.566 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 103551424 LRNYNWZTGLBQKI-ALBQUZEBSA-N 582.037 6.166 5 40 KKBB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 103555408 JPSWEZZIEGDXBS-GSFCIGPDSA-N 615.642 5.858 5 40 KKBB COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Cl 105306178 NCLGOANGCODZLI-UHFFFAOYSA-N 566.039 6.182 5 40 KKBB COc1cc([C@@H]2c3c(C)nn(-c4ccc(C)cc4)c3N=C3C(Cl)=CC(Cl)=CN32)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 150464143 PUDNKYVOESALKE-MUUNZHRXSA-N 652.516 6.825 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 163197054 HTWSKWBIMVTQRI-NPNXEGEYSA-N 631.710 5.823 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224613280 LWQQJDDXQVHHTK-HHHXNRCGSA-N 659.205 5.649 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccn(C4CCCC4)c3)cc2)cc1 224790525 ZURKORDWSWBHID-VSGBNLITSA-N 541.702 7.235 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl 225139335 DDEDKYPKLBWCQD-UIOOFZCWSA-N 561.067 6.206 5 40 KKBB COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C(=O)NC(C)(C)C)cc1 260787026 LXYKROSFZYFUQS-OAQYLSRUSA-N 661.177 5.101 5 40 KKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Br)c(C)c1C 408541728 FNKOZSWJEAZKMH-POHAHGRESA-N 516.348 5.467 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 408576054 XGMYSFBNJMPTEQ-MHZLTWQESA-N 605.514 7.189 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)C(=O)O)o1 408631460 DYIJCHXIOPDQFJ-CIAFOILYSA-N 541.994 6.676 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408638354 CHPSJOBEFKHYLY-PDNQGOMLSA-N 841.098 7.808 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408672137 ZOXMQXUMTKLFQT-ZOMWRJOCSA-N 642.495 5.746 5 40 KKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 408710479 PEBBYLIXOOASLY-UHFFFAOYSA-N 514.350 5.925 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4c(ccc5ccccc45)C3=C[C@@H](c3ccc4c(c3)OCO4)[C@@H]2C1=O 408732684 UBCUYZHOOIDPLD-OUEGXDDWSA-N 574.545 5.307 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408939908 NIRZXWXPUJHHSJ-USDTVRPUSA-N 692.588 5.835 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408989623 ULLFKRQIHCLEFC-MFCBUNOESA-N 624.071 5.027 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408994543 HYUREVBRLUNBNR-GNZKFENCSA-N 608.763 7.365 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409009493 AMINFFCFAMUANX-YZSQISJMSA-N 623.087 5.221 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1cccc2ccccc12 409036313 QYAHLVQFTBMVTL-HRIDGTDGSA-N 595.633 5.128 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2c(Cl)cccc2Cl)N1Cc1ccccc1 409132730 JUOYUYCUXLJLHK-MHZLTWQESA-N 518.400 7.263 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)ccc1Cl 409157147 QCTWFRLAAPXWLL-ZMOGYAJESA-N 596.017 5.679 5 40 KKBB CCCCOC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409195408 IMKFXKUGYDWSTB-NDENLUEZSA-N 549.399 5.316 5 40 KKBB COc1cc(CNc2ccc(Br)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409200945 UDOGWIUZWNCLCO-UHFFFAOYSA-N 569.193 6.162 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)c1ccccc1 409223113 GLZGTEWMDSLYJS-WSDLNYQXSA-N 505.464 5.215 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409230122 BPDOBWPKYZROTA-WSDLNYQXSA-N 552.381 5.428 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccccc1OCC 8452269 QEOIZHWGMBHBBB-XGLKJEJJSA-N 548.664 5.503 5 40 KKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3cnn(-c4ccccc4)c3-n3cccc3)n2-c2ccccc2)cc1 8763012 LMSDJYYAXYIMPO-UHFFFAOYSA-N 519.590 6.111 5 40 KKBB CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)scc12 11757972 FVHHLCTWIXSQJE-UHFFFAOYSA-N 546.483 5.112 5 40 KKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)NCCc4c[nH]c5ccccc45)cc3c3ccnc2c31 70708112 XNSKADRNRJEWKZ-SFHVURJKSA-N 560.610 5.217 5 40 KKBB biogenic COc1ccc(-c2nc3c(sc4nc(C(F)F)cc(-c5ccccc5)c43)c(=O)[nH]2)cc1Cn1cc([N+](=O)[O-])cn1 97948269 BSPHNUMQLJWTNG-UHFFFAOYSA-N 560.542 5.966 5 40 KKBB CCOc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OCC)cc2)cc1 97983545 DMGUHELCQUBQIA-POPUVSTASA-N 551.643 7.229 5 40 KKBB Cc1ccc(NC(=O)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H](C(=O)Nc3ccc(C)cc3C)C(=O)C[C@]2(C)O)c(C)c1 100239251 AVGYFSCQMANWHE-PCWGPIHSSA-N 543.620 5.146 5 40 KKBB CCc1ccc(S(=O)(=O)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc3oc(C)c(C(=O)OC)c3c2)cc1 100821903 XGFWNLDNLHZGBL-UHFFFAOYSA-N 522.535 5.034 5 40 KKBB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)ccc1OCc1cccc(Cl)c1 100912643 SRBGMCBGEUXJBO-WMTXJRDZSA-N 610.069 5.381 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2=O)=N1 103755714 LYTOEOVZZRLRSY-UQDCTOEPSA-N 615.042 5.835 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 105303725 DLCXFAYSSRPNIX-UHFFFAOYSA-N 588.517 5.989 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 106745815 OKZFTELFZOZGPN-QRVIBDJDSA-N 549.517 5.357 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccccc1I 150466001 IZELOYUVLZICGX-UCQKPKSFSA-N 630.416 6.054 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccccc1Br 215092623 RWWAEESOFVIOAA-VXLYETTFSA-N 564.211 6.616 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222972896 KLBIBZWOCJBMOZ-QFIPXVFZSA-N 631.151 5.094 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223319436 INBDFKVJTUMUKQ-FIPFOOKPSA-N 533.694 5.691 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224221089 RCAFLPMAHYLVLX-MUUNZHRXSA-N 671.216 5.935 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224595306 XXPJSNHHHWFWBE-MGBGTMOVSA-N 723.248 5.935 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 224822260 MSZVHEBHLBVZGK-UMSFTDKQSA-N 654.789 5.797 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225346049 ZMSKQLSPKITCDZ-NDEPHWFRSA-N 580.081 5.725 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408568124 HSYLVQWUYACAIR-DEOSSOPVSA-N 593.920 7.624 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1C 408930062 ROFUUCBMNQYCFN-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1 408981198 ABMXEEJKLJQEJF-JBVGNYNVSA-N 720.785 5.044 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409031500 AUROLJLHFXJHSK-FZEVDNDPSA-N 895.510 6.291 5 40 KKBB CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)N(C)C2=S)cc1 409032436 CBAVCFMAVGARJX-UCQKPKSFSA-N 647.345 6.702 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)cc1 409085834 SNLIHMDXYPRSKS-NULZLWRNSA-N 671.529 5.813 5 40 KKBB CC(C)COC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409206577 XINBIPYBNFIJBK-JMIUGGIZSA-N 549.399 5.172 5 40 KKBB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)c1 409222877 YANULAZMNXMLOG-LPYMAVHISA-N 569.355 5.180 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)C2=O)o1 409402508 VZFKDABOHJKMBT-NVMNQCDNSA-N 590.770 5.062 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)N1C(=N2)C(Nc2ccc(Cl)c([N+](=O)[O-])c2)=Nc2ccccc21 1844587 VHKFZKCEZDCJLZ-NDEPHWFRSA-N 594.462 8.191 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1Cl 1858636 NUQAOTBLAUAECF-UHFFFAOYSA-N 588.329 7.675 5 40 KKBB CCOc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C(C)C)c([N+](=O)[O-])c1 5948888 SILLHMVGFHGAFZ-UHFFFAOYSA-N 518.599 5.490 5 40 KKBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(I)cc1)C(c1ccccc1)c1ccccc1 8425146 SWMOFAUJGCJSNN-SANMLTNESA-N 605.432 5.698 5 40 KKBB COc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 10058999 CGGNDXJKOYZCAB-VERVWZFWSA-N 510.528 5.919 5 40 KKBB Cc1ccc([C@H](NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1 20039134 NGWRCGREYIILOT-MUUNZHRXSA-N 515.591 5.004 5 40 KKBB Cc1nn(CCCC(=O)Nc2cc(Oc3ccc4oc5c(c4c3)CCCC5)cc([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] 33357425 YHTJUOTZFPVHCZ-UHFFFAOYSA-N 533.541 6.153 5 40 KKBB CN1/C(=C2\C=NN(c3ccccc3)[P@]2(=Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)C(C)(C)c2ccccc21 97983991 QOLMVMFRUHRHJQ-XWJARFHNSA-N 533.572 7.813 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 100340470 RECOHYIBMHLQSI-ZMOGYAJESA-N 542.972 6.602 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc2ccccc2c1 101113513 WEYAEDVRPLAJQN-SDHSZQHLSA-N 534.355 6.106 5 40 KKBB CCOc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 102436023 KYAMLCVITBOMNT-SSEXGKCCSA-N 569.625 7.283 5 40 KKBB C[C@@H](OC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 102975126 GJHRPFWEXAZYED-GFCCVEGCSA-N 589.907 5.391 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)c1 111468268 FQPDBJAPBNRVAS-LAUBZIAYSA-N 592.633 5.051 5 40 KKBB CC[N+](CC)(CCCCCCCCCC[N+](CC)(CC)CCN1c2ccccc2Sc2ccccc21)CCN1c2ccccc2Sc2ccccc21 150419343 UXSJVZRCXQSLBP-UHFFFAOYSA-N 737.180 12.426 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 198310941 CPDFOIWFAKXJKR-UHFFFAOYSA-N 679.560 5.853 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccccc1Cl 214116235 BEKIXECYMNDIEJ-VXLYETTFSA-N 519.760 6.507 5 40 KKBB COc1c(Br)cc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 215024000 KRFCZAQINNQSJW-VIZOYTHASA-N 528.178 5.365 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(I)cc1 215194344 KPOMSYCTRYKNBJ-SRZZPIQSSA-N 626.350 7.247 5 40 KKBB C[C@@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2Cl)C1 224140554 UTKHQSYKDLFZIW-YFGXVBGTSA-N 587.149 7.093 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccccc3)cc2)cc1 224780671 AHOSQXCOPVHMMC-URLMMPGGSA-N 549.681 7.109 5 40 KKBB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 253589837 ACTTVKYFPXTCSY-DLQYFKQDSA-N 526.976 5.964 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)C1 260927605 ZCUHWIAVXUBRDS-OCKPKQIFSA-N 588.133 7.563 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 260970916 JBJGFBZSDQLCJR-UUWRZZSWSA-N 654.789 5.797 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261029059 WWPOPWDVWPYBGZ-PMACEKPBSA-N 700.041 6.399 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261099004 VROOWDATFPFDRH-JKFCTSDTSA-N 751.700 6.424 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(OCC)c(OCC)cc2Br)cc1 408565733 CYFWTWFBWOFLFR-JOCHJYFZSA-N 551.463 5.644 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccccc3Cl)c(Cl)c1)[C@@H]1CCCN12 408567092 PRACVQBCOJXTSN-CWWSAELMSA-N 558.849 6.280 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408568085 HPJQKHAMEKDREA-AREMUKBSSA-N 666.425 8.350 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 408573092 SLLVNYPBKKPCFO-QHCPKHFHSA-N 594.318 7.334 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]23)cc1 408728431 MGPWKQQZPFUMRN-VIBBIMNMSA-N 676.725 7.109 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl 408837972 BBAWMOFUTXGHJO-VCHYOVAHSA-N 618.248 7.443 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n21 408958745 WOVQSOHLEKMAIF-ZFWDJNJRSA-N 656.486 5.265 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408981770 BQYREWQQGSSPDU-OBDCIHEFSA-N 708.587 5.455 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 408993405 DOTRSAOSRXOAKI-OINPTKSXSA-N 642.089 5.766 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409038272 ZZSFEISAFHPZRO-IWIPYMOSSA-N 555.008 6.260 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1Cc1ccccc1 409115752 KIGLYCKIHPBFQG-UUWRZZSWSA-N 590.079 8.189 5 40 KKBB CCCOc1ccc(Cl)cc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 409155880 DUIIMSNSQFYWBR-CRCYZHLCSA-N 608.072 5.327 5 40 KKBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O 409197183 XWSSDLKWKBAAEA-LPXFMOJISA-N 506.989 5.777 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409273563 JWFNCUWWHJGCNQ-OGLMXYFKSA-N 583.622 6.401 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)c1ccc(Cl)cc1 409275307 UGYRUYWEAAZVJD-MXAYSNPKSA-N 531.977 6.170 5 40 KKBB O=C(O)c1ccccc1-c1c2ccc(=O)c(I)c-2oc2c(I)c(OS(=O)(=O)c3ccc(Br)cc3)ccc12 8452153 CPEVLBAFFKNGKY-UHFFFAOYSA-N 803.162 7.002 5 40 KKBB O=C(c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 97971278 GONMSONKEHLAPM-LQMYPEKXSA-N 657.104 7.426 5 40 KKBB CC(C)[C@@H]1Cc2c(sc3c2c2nnc(SCC(=O)c4ccc(Br)cc4)n2c2nnc(SCC(=O)c4ccc(Br)cc4)n32)CO1 97999683 WDFMMXAPMJHZPK-QHCPKHFHSA-N 772.570 7.559 5 40 KKBB O=c1/c(=C\c2c3ccccc3cc3ccccc23)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 100958419 NONKTBHTOJXYGB-OGMUYLFESA-N 526.686 6.687 5 40 KKBB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(C)nn(-c2ccc(Cl)cc2)c1O 102975082 AVDKNEUFRVUSTM-ZCYQVOJMSA-N 550.402 6.272 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 106729052 HWGOJBHFTMTRLT-ROTLSHHCSA-N 548.617 5.962 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc(Br)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n31)c1ccccc1CC2 163205075 GPDIBEUVTOKOME-XDYZZPCYSA-N 759.476 7.340 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cccc(OCc6ccc([N+](=O)[O-])cc6)c5)c(=O)n42)c2ccccc2CC3)cc1OC 163275247 TYEXBQOAORUBOM-HWANIQDNSA-N 631.710 5.823 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c2=O)=N1 163454058 ZHBSTHOIOJTASP-NBQDTTAVSA-N 656.717 6.311 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1c(Cl)cccc1Cl 214715870 FXHWBCJHJDRKCC-DJKKODMXSA-N 554.205 7.161 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224263895 JBMXUASAQURLIC-NDEPHWFRSA-N 671.216 5.935 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)c1 224516879 UGSGRXRNBRBPIP-GOTSBHOMSA-N 521.396 6.189 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224935860 WMEDAWFMZDKDIG-HKBQPEDESA-N 632.714 5.094 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 225562419 POSZAIZRDACMRC-WUFINQPMSA-N 541.633 5.814 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc23)o1 225714402 BKMAYNHSYQOSME-FIRIVFDPSA-N 593.665 6.413 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261060386 NRPWQTKGVXHFAT-CVYDZTKKSA-N 686.831 5.970 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 408570861 MAUJEYUBKQCZKH-HHHXNRCGSA-N 569.083 6.716 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 408574463 UVYIURZWTBKERG-DEOSSOPVSA-N 586.026 5.844 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccccc1 408753460 ABASANANTPZMAK-ZRYJBNJPSA-N 631.666 5.063 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1cccc(Br)c1 409153700 MFRWLLRUAYFOMI-CFRMEGHHSA-N 548.418 6.597 5 40 KKBB CCc1ccc(-c2cc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 409177075 CIXMYJULFLUGCX-HKBQPEDESA-N 516.553 7.153 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 409231694 FPOAGWCXQQKYSU-SRZZPIQSSA-N 549.819 7.371 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409275222 SPTSXBLTSBDZJA-AFUMVMLFSA-N 547.589 5.474 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)c(F)c1F 409275797 WYHPQGBQJXHSSZ-JAIQZWGSSA-N 543.479 5.266 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccccc1Br 409337949 AEDYDTZFSQDSBS-UFFVCSGVSA-N 701.271 7.606 5 40 KKBB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409381271 SNXZHTUTCUESSP-OAQYLSRUSA-N 530.400 5.704 5 40 KKBB O=c1/c(=C/c2ccccc2OCc2ccccc2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 1884139 XSSWDKWAFVENEA-UTAOYMJKSA-N 571.658 5.806 5 40 KKBB O=C1S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N1Cc1cccc([N+](=O)[O-])c1 2080687 ZANHSTYOGXWCOI-ZMOGYAJESA-N 503.967 6.488 5 40 KKBB Oc1cccc(-c2nc3c4cc(I)ccc4c4ccc(I)cc4c3[nH]2)c1 6445394 MFBFCIKEPJIKGQ-UHFFFAOYSA-N 562.148 6.451 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1F 9361089 NSKVQDNPYBRCIR-HBMCJLEFSA-N 502.285 5.092 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 22843108 BSONBNRNTMHPDS-RUDMXATFSA-N 518.442 5.269 5 40 KKBB O=[N+]([O-])c1ccc2nc(Sc3nnc(Cc4cccc5ccccc45)n3Cc3ccccc3)sc2c1 59489590 KUAOYABXZNAXMF-UHFFFAOYSA-N 509.616 6.740 5 40 KKBB c1#c-c2ccc(cc2)-c2ccccc2-c2ccc(cc2)-c#c-c2ccc(cc2)-c2ccccc2-c2ccc-1cc2 68568370 NPWVSRVWUMAABX-UHFFFAOYSA-N 504.632 10.327 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@H]2[C@@H]1c1ccc(Br)cc1 97982715 OOCCWTBJFYDRNB-BKIZBIRHSA-N 629.736 8.210 5 40 KKBB CC1(C)CC2=NN(c3ccccc3)[P@@](=Nc3ccc([N+](=O)[O-])cc3)(N3CCOCC3)C2=C(N2CCOCC2)C1 97983927 QTDVXQJZMIPUDR-KDXMTYKHSA-N 550.600 5.830 5 40 KKBB CO[C@H]1[C@@H](N(C)C(=O)c2ccccc2)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 100070719 BMGQWWVMWDBQGC-PZFYLCKJSA-N 570.649 5.907 5 40 KKBB in-vitro Cc1cc(C)cc(-n2c(S[C@@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c3ccccc3)nc3ccccc3c2=O)c1 103089460 DWLAPQWTQUBCFF-MUUNZHRXSA-N 550.640 6.691 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)c1ccccc1C(c1cccc3ccccc13)=NN2c1ccccc1 103757187 UQHGAKMIBKALRW-MGBGTMOVSA-N 569.646 7.287 5 40 KKBB COC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@@H]1[C@@H]1[C@@H]2[C@@H]2[C@@H]1[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)c2c1c1ccccc1c1ccccc21 104129385 QFDRLWYVFISIPE-YMFUCIIOSA-N 628.724 7.098 5 40 KKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)cc3)nc2c1 104221890 RJIZCUHNXOQBOM-UHFFFAOYSA-N 562.376 7.249 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3O)nc2c1 112242574 GDEFQMSTARSJEJ-UHFFFAOYSA-N 561.620 5.195 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccc(OCC)cc2)sc2c1CCC2 150391445 OMXHIAMAXKHPDH-GOSISDBHSA-N 664.766 5.350 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223338842 SHDMKKHKZXNMGS-HXUWFJFHSA-N 621.543 5.431 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223770128 FQCRAUREHADYQE-FQRUVTKNSA-N 552.469 5.455 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224799475 PYZTYTDRHCPPQH-YTTGMZPUSA-N 628.751 5.263 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1)S(C)(=O)=O 224857068 OIBSCLCMXGETIW-UHFFFAOYSA-N 515.591 5.374 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225282684 JAJRNAOYPOEEPC-NRFANRHFSA-N 512.459 5.468 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225600233 WTGLFRSUBUPOEQ-HHHXNRCGSA-N 635.570 5.224 5 40 KKBB O=[N+]([O-])c1cccc(NCc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c1 408554742 FFZQJZMFZJUCQO-UHFFFAOYSA-N 526.612 6.964 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCC 408573534 TUMXVUVUXFKGMW-FQEVSTJZSA-N 521.437 5.554 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408689470 YGESXUILFXUMQT-ZYNNUQKQSA-N 642.081 5.738 5 40 KKBB Cc1ccc(C(=O)O)cc1N1C(=O)c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C1=O 408757888 RPTXELOFZBAVHU-UHFFFAOYSA-N 501.882 5.952 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 408765884 RHSKDJMNSQOEED-NXYYLBPMSA-N 787.601 6.324 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408771790 ICCPXEVJAVZGTB-FABFSAKGSA-N 793.465 7.087 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)c(OC)c1 408976541 FZHUQODGOXXRIR-IMUCPKNRSA-N 636.686 5.368 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409102164 YGPQNBUBLNMMJI-HDFSHUSISA-N 633.195 6.125 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409175183 WZEJKIOVHQAVBY-UHFFFAOYSA-N 679.560 5.853 5 40 KKBB O=C(COC(=O)c1ccccc1Nc1ccccc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 1839667 ALYYFSCBJANMKC-UHFFFAOYSA-N 502.910 6.824 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2-c1cc(Cl)cc(Cl)c1 2235706 YSSHSHAFMBAWJI-UHFFFAOYSA-N 520.807 6.601 5 40 KKBB Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)oc12 3168902 BMHCUXVDAIKTID-UHFFFAOYSA-N 530.367 5.948 5 40 KKBB O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)OCc1cc(=O)oc2ccc3ccccc3c12 3301350 HXYXDZNVHWWEGU-LFIBNONCSA-N 517.603 5.268 5 40 KKBB COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc([N+](=O)[O-])cc4OC)c(N)c23)cc1 6157175 HUEIRTWAXYCYJA-UHFFFAOYSA-N 526.574 6.390 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1Sc1cccc2cccnc12 8385346 QFQDROJQCHPOQD-UHFFFAOYSA-N 541.054 5.459 5 40 KKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3cccc(Cn4cc(Br)c([N+](=O)[O-])n4)c3)nc12 97945721 LKXQHPHRSKTUFH-UHFFFAOYSA-N 535.387 5.087 5 40 KKBB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@H]21 100391050 ZRHIGDZIDKQKSO-NNPJNUEMSA-N 524.529 5.446 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(Cl)cc1)[C@]21C(=O)Nc2ccccc21 103547679 PNPZEWJZMSIVKO-CLWMVSBGSA-N 590.035 6.494 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 103557160 ZKUCCZHPJRVQSP-NEWJYFPISA-N 533.462 5.012 5 40 KKBB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)c(Cl)c2)cc1[N+](=O)[O-] 105318722 ZWZINWCCGDGYKI-UHFFFAOYSA-N 599.969 5.706 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(-c6ccccc6)n(-c6ccc([N+](=O)[O-])cc6)c5-c5ccccc5)c(=O)n42)c2ccccc2CC3)cc1 163258704 CAORXOIZPPJOMW-PSANAXBTSA-N 712.831 8.360 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222470255 NGCAXYPLBQAQRT-PMERELPUSA-N 699.613 5.800 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222815455 FHWBBWQQJIEQAC-PMERELPUSA-N 734.058 6.453 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223248526 CIEQEBKJZQVRFX-AREMUKBSSA-N 659.205 5.791 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)oc1ccccc12 223526076 VBXOXIQGLBPYII-UHFFFAOYSA-N 501.520 5.328 5 40 KKBB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccccc1 224770902 YZUDOSIOABDPBN-ZWXJPIIXSA-N 591.762 7.785 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C 225167569 MMPQPQQBJVVKIJ-RRPNLBNLSA-N 526.622 5.615 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225312947 BKMCWKHTTAUJOO-UMSFTDKQSA-N 689.234 6.533 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 247308460 HNXUXIGIRRUIAS-BYBRNZAOSA-N 547.592 5.512 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccccc1)[C@@H]1CCCN12 408565165 IINLWSMIEMKOHG-UQBYDPJISA-N 534.410 5.083 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408565475 KZDXQLBCJWKYMY-FODJJAHYSA-N 528.392 5.103 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1ccc(F)cc1 408575552 WMUQTYZWYLGGIX-QHCPKHFHSA-N 543.964 5.966 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1cccc([N+](=O)[O-])c1 408643090 ORDLHNFKYSNQFD-UHFFFAOYSA-N 789.969 6.089 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408650072 ZHZOOVZFVVUWKN-UKILVPOCSA-N 573.989 5.622 5 40 KKBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c1 408690185 ZZTYOGDNYNBXMQ-UHFFFAOYSA-N 774.998 6.190 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408770623 ZRBFFHZJGSHLOA-HRIDGTDGSA-N 566.038 6.140 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cccs1 408784681 RTPZODXCYKHUMQ-PNZYDNNZSA-N 640.537 5.110 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408941947 QZTOZHXBRSYMAL-MFCBUNOESA-N 608.072 5.407 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408996195 LKDCMQWSBYWTMW-UBXIJNLVSA-N 732.840 6.159 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c2=O)=N1 409043076 ZIKUQBPGDKEGKR-CRCYZHLCSA-N 686.968 6.171 5 40 KKBB COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1Br 409055277 YHAVDDODMPKSPZ-UHFFFAOYSA-N 528.359 6.548 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 409100316 UIXGDLFYTLSFBZ-MFKUBSTISA-N 612.060 6.300 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(OCc3cccc(Cl)c3)cc2)N1Cc1ccccc1 409117083 QCMKXOLKAWEQMC-UMSFTDKQSA-N 590.079 8.189 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(COc4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc2ccccc12 409140144 DYLRENMSMFTRED-HRIDGTDGSA-N 595.633 5.032 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1/N=C(c2ccc3c(c2)OCO3)OC1=O 409189794 STRZDHHLEHVIAE-CTSNWVIMSA-N 642.212 5.812 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 409191915 QGMRORHFTKCDFN-AOFXREQWSA-N 768.708 7.519 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409198327 CMCGQJBQHRGSSC-WOJGMQOQSA-N 513.428 5.507 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409228450 YXOZRKKNNLISHF-DHRITJCHSA-N 642.484 6.019 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(OC)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 409269040 DFMGDLHJCACLTP-SRZZPIQSSA-N 543.941 5.200 5 40 KKBB CCOC(=O)c1oc2cc(OCc3ccc([N+](=O)[O-])cc3)cc(C)c2c(=O)c1-c1cnn(-c2ccccc2)c1 943127 OHFVBMNPMSIJCJ-UHFFFAOYSA-N 525.517 5.618 5 40 KKBB COC(=O)c1c(NC(=O)COc2ccc(Br)cc2[N+](=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 1787363 QNVGSFGFNWFCDG-GFCCVEGCSA-N 525.421 5.374 5 40 KKBB O=C1N(c2ccc(Cl)c(Cl)c2)C(=O)N(c2ccc(Cl)c(Cl)c2)[C@]2(C[N+](=O)[O-])CCCCCN12 3263768 DQCCKZFSXPBCKL-NRFANRHFSA-N 532.211 6.716 5 40 KKBB CCOc1ccc(N=[P@@]2(N(CC)CC)/C(=C3\N(C)c4ccccc4C3(C)C)C=NN2C)c([N+](=O)[O-])c1 32693765 WSYLXTKGAQJFAR-BRYWBPRWSA-N 510.579 6.568 5 40 KKBB COc1cc(NC(=O)COc2ccc3c(=O)c(-c4cnn(-c5ccccc5)c4)c(C(F)(F)F)oc3c2)c(C)cc1[N+](=O)[O-] 97982945 SXCITNKZTSWRMK-UHFFFAOYSA-N 594.502 5.907 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1 100420527 ZERQTTHZAKJOFV-SRZZPIQSSA-N 561.469 6.220 5 40 KKBB O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@H]12 101024778 NMHDINZUWSXCHF-ATIZSFMBSA-N 500.554 6.345 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 101180449 XQHVYYBQSRWDOI-UKTHLTGXSA-N 563.010 5.039 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccccc1Cl)[C@]21C(=O)Nc2ccccc21 103548677 NWWPPZXHZYEGEJ-YQQRZDPSSA-N 590.035 6.494 5 40 KKBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2Cl)CC1 103933031 ZVVGEXYOBMOBGH-UHFFFAOYSA-N 535.453 6.063 5 40 KKBB O=C(NC1CCC(CC2CCC(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] 104136511 UMWNJVQMZURIMO-UHFFFAOYSA-N 577.465 6.477 5 40 KKBB O=C(NC(=S)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305998 XIYXAXJQOPSWFE-UHFFFAOYSA-N 572.474 6.271 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 105312570 NUAWTNIMBDIABF-IBGZPJMESA-N 557.676 7.034 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105313225 BVYNXEBVQHKFCN-UHFFFAOYSA-N 537.601 6.283 5 40 KKBB O=C(Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 150484454 JVBPPGPKQHUONO-VBSNSAIWSA-N 671.529 6.191 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)NC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 150496402 NELIAFZQXAJDSF-QHCPKHFHSA-N 867.743 5.156 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 163228392 YBAUQKNOFFVEHG-UHSYMONFSA-N 680.580 6.577 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 164512901 NQHDVTQYGBCMML-SVXDAGRPSA-N 648.653 5.544 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cccs1 197563782 RXRUZLYRAOBKIA-MZANGIHLSA-N 618.092 5.819 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224757670 LXQSZKIKMDCQQC-SANMLTNESA-N 663.168 5.479 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224854257 SDZUCMQTANSZDO-OAQYLSRUSA-N 647.581 5.963 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1F 225622801 VNJAXTJHYULFLP-IZZNHLLZSA-N 531.569 5.390 5 40 KKBB O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2C=Cc3ccc(Cl)cc3N21 230018030 PVQXMHMJFXHCEH-XGAJZPNHSA-N 578.806 5.283 5 40 KKBB CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565652 LQJWUXROMABDOO-HFRGRHLUSA-N 542.817 5.203 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408646715 UGBDFLKIEAQHJB-QKCPIRFBSA-N 697.098 5.190 5 40 KKBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)c1 408678778 DAMXFWBCUSKNOY-HHLQZUTDSA-N 682.127 5.290 5 40 KKBB Cc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1 408750333 LPKNAMIEIQYMTR-UHFFFAOYSA-N 536.591 5.503 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5cccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)c1 408827395 GXJPTOQJNRSDAU-RIFKOAFWSA-N 632.654 5.936 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408829229 LCGRJEHQSLPFNN-FUFNRSNVSA-N 571.655 5.398 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408837317 CBQGEGSHHLNRRC-UNDLXJOSSA-N 599.709 6.179 5 40 KKBB CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408841987 HOGJAPGDHURGAI-YBFXNURJSA-N 593.957 6.334 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408993963 DXONPJVJOVYEIZ-UBXIJNLVSA-N 689.790 6.555 5 40 KKBB COc1ccccc1N1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409061791 ICQDEWJYQQGMIS-XKZIYDEJSA-N 571.405 6.194 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(s/c(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)c2=O)=N1 409082319 IXLDMQIXZSZMFY-LXYLXTGBSA-N 821.431 5.883 5 40 KKBB O=C1N/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1C1CCCCC1 409087129 ARTZCJCKJZTOKO-MOSHPQCFSA-N 500.349 5.162 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409129563 GXQNOLQTPWQNLD-KOEQRZSOSA-N 597.487 7.004 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC 409145256 NMEFJWKVEYECKO-MXLMUYMQSA-N 758.676 6.173 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409183053 QPVJTGGPAJXLHF-PLMBTIQCSA-N 648.137 5.646 5 40 KKBB CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)O2)cc1OCC 409190433 NESWVYBLRVBNCJ-CKWWZSKKSA-N 558.543 5.364 5 40 KKBB CCOc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1OCC 409192054 TZHNWMYQDRJTIA-YBRLOCPZSA-N 607.413 6.118 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc5ccccc45)C3=O)o2)cc([N+](=O)[O-])c1C 409275239 ZPUPDBHCATVLRU-AFUMVMLFSA-N 527.558 6.300 5 40 KKBB O=c1c2ccccc2nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1-c1ccc(Oc2ccccc2)cc1 3334681 YBQLJFAETDZGLM-UHFFFAOYSA-N 539.569 6.245 5 40 KKBB O=C(O)c1ccccc1-c1c2cc/c(=N\c3ccccc3)cc-2oc2cc(Nc3ccc(S(=O)(=O)O)cc3)ccc12 4366239 GWMRYULFIJVZCV-STKMKYKTSA-N 562.603 7.126 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 8401281 PGBMRVNWWUOCNX-ZJTZAHLKSA-N 669.634 5.535 5 40 KKBB COc1ccc(-c2c(C(F)(F)F)n[nH]c2-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)cc1OC 9410233 BPQAJRWPGYUODZ-UHFFFAOYSA-N 515.444 5.973 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 53229034 ITKUJSXZHRIRAH-QRVIBDJDSA-N 520.519 5.117 5 40 KKBB CCOC(=O)c1cc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(Cl)c(C(=O)OCC)c3)n2)ccc1Cl 100165174 PEDTWMTXAQJKRV-UHFFFAOYSA-N 534.356 5.841 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)c3cc(F)c(F)cc3Cl)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100221447 XOSIEZHSPZAVAY-RNICHOSVSA-N 559.057 6.506 5 40 KKBB O=C(COC(=O)c1cc(-c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 102517174 FSBMMNBEKOKGKV-OUIXTEOLSA-N 575.577 5.385 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 102889854 MGXMYFRTHHVETP-JBOQNHBVSA-N 593.592 5.654 5 40 KKBB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 103094858 QOVIHNKQXMQRCS-CHGQMLAJSA-N 585.041 7.099 5 40 KKBB CCCCC1CCC(C(=O)/N=c2/c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2C2CCCCC2)CC1 103628760 SSUWKBWXBNWKCA-MDVFONAFSA-N 532.685 5.755 5 40 KKBB O=c1/c(=C\c2cccc(Cl)c2Cl)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 103818143 MHKYGHWNTCWVIM-MLJBDGAYSA-N 534.424 5.534 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cccc(OCc6ccc([N+](=O)[O-])cc6)c5)c(=O)n42)c2ccccc2CC3)cc1 104657131 MGQFSLDBQXDYRO-DUCIMOQJSA-N 601.684 5.815 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 111470035 HYCIXQABBCSLTM-KUSDHMTMSA-N 621.671 5.421 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccccc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1OC 139954307 DXSCQBNCXPNSLH-IMUCPKNRSA-N 591.645 5.504 5 40 KKBB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 216358498 HANXASORMOCFGO-AREMUKBSSA-N 555.653 5.019 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223279238 NTIDLKOJSXRDOM-PMERELPUSA-N 635.142 5.220 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223731528 DKXPZBKYRBKOHJ-OOXUFLSTSA-N 690.794 5.801 5 40 KKBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 229620051 KYSWBXRMYWBYRO-GYPIRZFJSA-N 559.553 5.716 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247293392 BTNNBBAJKPBJBU-UPOHCCNUSA-N 541.563 5.577 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260888245 FKZUCWRMVSHDPD-PSXMRANNSA-N 733.287 6.850 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 261064737 OJPWCFJSOLSINI-DCFHFQCYSA-N 665.596 5.231 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408566246 NJOOKMYBSHHPDV-NKCAPHFPSA-N 528.392 5.149 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccccc1F 408574430 UUQKOWAQVVHSID-HSZRJFAPSA-N 528.993 6.066 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 408574529 RRQVXCMLGGICQU-DHZHZOJOSA-N 523.973 5.355 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccccc1Cl 408791269 XXVCDUKKRLDUFZ-HWANIQDNSA-N 650.156 6.858 5 40 KKBB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 408815035 RHKYFPMUQBRMNE-UUYOSTAYSA-N 541.379 6.186 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408988495 DPRNDEPGQNUYBP-MDINZUHSSA-N 723.829 6.043 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409162613 XPWSCALNHZLOMR-ZWTBYVTRSA-N 772.428 6.027 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 2082477 ULJDEBGXWGGULS-UHFFFAOYSA-N 598.335 7.130 5 40 KKBB O=C(Nc1ccc(OC(F)(F)C(F)F)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1 3142793 ZCLHZZWDCSHWDF-UHFFFAOYSA-N 522.367 5.244 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(F)(F)F)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 6280168 WTJZWJHGTHRHBP-UHFFFAOYSA-N 513.501 5.901 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Nc4ccc([N+](=O)[O-])cc4)c3cc12 8383243 OVRSEAKNOSQOOF-UHFFFAOYSA-N 660.646 8.438 5 40 KKBB Cc1cc(C2(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(C)c3)OC(=O)c3ccccc32)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 8452161 HCTLFVBOHRJMMZ-UHFFFAOYSA-N 644.592 7.021 5 40 KKBB Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccc(Cl)cc2)c([N+](=O)[O-])c1 14945396 IXAKJCGVWSBLAF-UHFFFAOYSA-N 500.005 5.905 5 40 KKBB C[C@H]1C[C@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2N1C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 33353898 KGWGLPOUBLASOV-ZQLNOWDWSA-N 588.620 5.793 5 40 KKBB COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)cc1OC 70708245 XIVQZSSTRPPFCT-INIZCTEOSA-N 553.571 5.032 5 40 KKBB biogenic O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 97940402 ATQPJNXLIHLVFM-UHFFFAOYSA-N 550.615 5.160 5 40 KKBB Cc1cc(OCc2ccc(-c3nc4c5sc6nc(C(F)(F)F)cc(C)c6c5ncn4n3)o2)ccc1[N+](=O)[O-] 98046185 MZBODNJSHLMMPL-UHFFFAOYSA-N 540.483 6.270 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2cccs2)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 103534398 HZJJTVSUAGHUPD-YUUTYDCPSA-N 547.592 5.638 5 40 KKBB Cc1cc(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)c(Cl)c2)ccc1[N+](=O)[O-] 104911547 WLVQXXTZEVVMJZ-UHFFFAOYSA-N 540.876 5.831 5 40 KKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 106722615 YHJRLYQXMVWTQF-MTJSOVHGSA-N 561.866 7.398 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 150472412 NZFWINXEEICSKK-RGFRMHDHSA-N 636.151 5.910 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Br)[C@@]1(Cl)[C@@]3(Cl)O[C@@](Cl)(C(Cl)=C3Cl)[C@]1(Cl)[C@@]1(Cl)[C@@]3(Cl)O[C@@](Cl)(C(Cl)=C3Cl)[C@]21Cl 151058333 AVFKJPRMXDMQMG-WSROCUIRSA-N 801.557 9.401 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222924026 LYEQDRJSLIENHT-IBGZPJMESA-N 700.041 6.399 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223309006 QHGGTNCIICKXNR-FQEVSTJZSA-N 700.041 6.401 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223587010 OGWIOCDSFXNQQA-AREMUKBSSA-N 645.178 5.484 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223634349 CCENTPDHLBBUQL-MHZLTWQESA-N 659.205 5.793 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223809392 BNZOVVIGMPCDSZ-OGVWKLGRSA-N 786.145 7.078 5 40 KKBB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 224851609 PHZPSZHSQJQVAZ-LOSJGSFVSA-N 502.552 5.444 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224970614 JKZCCVAOJUQBQC-YTTGMZPUSA-N 711.212 6.064 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 225579327 LVJLNCGDFYQGGT-RRPNLBNLSA-N 527.606 5.560 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261040979 YXUNOIOJNZQPSF-PGUFJCEWSA-N 719.260 6.459 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1ccc(F)cc1 408576720 YECDUPWLGOIBKX-HSZRJFAPSA-N 561.408 6.306 5 40 KKBB COc1ccc(C(=O)Oc2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)cc2)cc1 408781115 AJTUBKDNSKVNJP-SAGCDJCOSA-N 615.667 5.455 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408976784 TYMFFSKGXCPSAG-HYRGFNLMSA-N 710.812 7.230 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 408978721 AVLQEFKAVXQPSY-AOLPSBPOSA-N 658.914 5.391 5 40 KKBB Cc1ccc(NC(=O)c2c(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 409057971 XDQZAEWJXXJGPU-GOSISDBHSA-N 521.639 6.386 5 40 KKBB COc1ccccc1N1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409061482 XVCNKCVCJBLPFT-MTJSOVHGSA-N 620.275 6.948 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1 409098046 JYAQEKALCQCZGN-LMSRTUJASA-N 652.154 5.090 5 40 KKBB CC1(C)OC(=O)C([C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c2c[nH]c3ccccc23)C(=O)O1 409111243 BOVGYJRXTXRUJX-XMMPIXPASA-N 534.952 5.893 5 40 KKBB CCOc1cc(CNc2ccc(C)c(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409117106 KQUZULLRLJUOGG-UHFFFAOYSA-N 532.378 6.406 5 40 KKBB CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409133996 RGOABUAXNQNTEK-SANMLTNESA-N 570.760 5.919 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)ccc1Cl 409152900 KJFDASDDLUVGLD-WSDLNYQXSA-N 604.424 6.403 5 40 KKBB CCOc1cc(CNc2ccccc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409180699 UMEFJPLGIMJSBC-UHFFFAOYSA-N 538.769 6.443 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409269178 GOGIMTKIIUMSNU-KSEXSDGBSA-N 616.877 6.573 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409271752 MRBJJKVCAGQXEA-SRZZPIQSSA-N 713.428 6.269 5 40 KKBB O=C(COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1 1863666 JFEMWBRPLAYMSY-UHFFFAOYSA-N 528.473 5.914 5 40 KKBB Cc1cc(C(=O)NCC(=O)O[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)ccc1[N+](=O)[O-] 3285650 FHYGFHQBXJYJHC-QFIPXVFZSA-N 549.889 5.228 5 40 KKBB aggregator Cc1c(NC(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] 10338836 UQWJDFIVVOZCIX-UHFFFAOYSA-N 508.383 5.429 5 40 KKBB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)scc12 11757939 TYLZNWMNBNTTCK-UHFFFAOYSA-N 533.349 5.091 5 40 KKBB CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@]2(CCC(c3ccc(C(C)C)cc3)=NN2c2ccccc2)S1 13785494 MKNSIIRBWFEISX-NDEPHWFRSA-N 513.623 6.532 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100230783 MUXYDAAPYIAMIJ-IWIPYMOSSA-N 579.447 6.977 5 40 KKBB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 100390905 SLXHHNJUAYBDEO-NKSQBKDSSA-N 516.937 5.931 5 40 KKBB CCc1ccc(S(=O)(=O)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccc3oc(C)c(C(=O)OC)c3c2)cc1 100821902 VDFVNALYQNXHGC-UHFFFAOYSA-N 522.535 5.034 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 102077530 UETCURFXUHVMSX-RFHSWFGCSA-N 598.995 5.638 5 40 KKBB Cc1ccc(C2=NN(C(=O)COC(=O)[C@@H](C)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 103137233 ZPYUTFTYUANONS-OPAMFIHVSA-N 544.486 5.237 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)c(C)c1 103546100 DFNKYXKIQZXVOQ-DTQAZKPQSA-N 550.619 6.704 5 40 KKBB O=C(N[C@@H](Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 150383437 MSQPBOAVAXPHPV-HKBQPEDESA-N 734.630 5.934 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccccc4Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)n31)c1ccccc1CC2 163196214 VTMGCTDMMFBQAL-KFOJKGMOSA-N 632.654 5.936 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223848688 KYQHKYJWLFOYJO-HXUWFJFHSA-N 526.417 5.013 5 40 KKBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)cc1 229633091 XIRUWOOZGAGXCD-CPJIJYJCSA-N 599.599 5.502 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260981946 OEEUYQQVQYPSSR-DFHRPNOPSA-N 645.178 5.483 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1F 408570575 LLIOTQNBIJBWQL-RUZDIDTESA-N 526.565 5.942 5 40 KKBB COc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC 408574450 UVJLYOIKPOKPIA-GOSISDBHSA-N 513.801 5.119 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 408733123 DXSOOIPDXCZAMZ-OFRZWCKSSA-N 662.698 6.801 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408773865 SZWMZOQJJXBJCP-SMXMPJKCSA-N 749.470 7.884 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)o1 408813697 OSOFHIMYGUOCPM-GYJVLNOTSA-N 502.616 7.217 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408828380 MSDPCEQQHPDZKK-QCHPHUCNSA-N 633.988 5.171 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408915647 QJWDFGJEKRQJNZ-SWBDNCPRSA-N 696.181 6.475 5 40 KKBB CC(=O)Nc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)cc1 408993194 VCFOEWGKSXFDMP-UHFFFAOYSA-N 573.403 6.630 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409039964 RUPFVXJSBADNNH-KEQCBNTKSA-N 807.404 5.495 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409041082 ZBMGEQJEGPBOJV-PGUFECHJSA-N 892.519 5.603 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409154065 FSUQAYGURIBOAB-UCQKPKSFSA-N 517.563 5.466 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409205091 LIYZMENKEITYFH-BRJLIKDPSA-N 645.568 6.251 5 40 KKBB O=C1N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 409223361 FLMCFLWBXUFZQY-WOJGMQOQSA-N 503.820 6.157 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc(F)c(Cl)c1 409227397 YEGJVSATNLSCKG-SSDVNMTOSA-N 541.944 5.641 5 40 KKBB Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1)S(=O)(=O)c1ccccc1 409326917 ORDYKAXXAKULQS-UHFFFAOYSA-N 550.036 6.513 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409339376 UQUIWKRHZTWDKD-SSDVNMTOSA-N 652.401 6.852 5 40 KKBB COc1ccc(-c2cc(C(=O)Nc3cc(Oc4ccc(NC(C)=O)cc4)cc([N+](=O)[O-])c3)c3ccccc3n2)cc1 828580 BCDKVARRRFHJOY-UHFFFAOYSA-N 548.555 6.822 5 40 KKBB O=C(NCc1nnc(SCc2cccc(C(F)(F)F)c2)n1-c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 2965801 HNBMJXLWOLPISO-UHFFFAOYSA-N 592.397 6.179 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)c1noc(-c2ccc(Br)cc2)c1S(=O)(=O)c1ccccc1 4292508 JMYWXJVBHDXPHQ-UHFFFAOYSA-N 513.325 5.076 5 40 KKBB biogenic COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@@H](NC(=O)OCc3ccccc3)c3ccccc3)ccc12 9034117 GQUSRDZBBCCNIZ-MHZLTWQESA-N 523.541 5.836 5 40 KKBB biogenic CCOC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 20169092 PFTMIBAJHZSOIG-UHFFFAOYSA-N 504.417 5.844 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 21123816 WBQIJCHYFUNUBK-LICLKQGHSA-N 522.561 5.469 5 40 KKBB CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463630 DGUBZCOVQVZWNU-UHFFFAOYSA-N 503.580 6.825 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc6n(n5)[C@H](C(F)(F)F)C[C@H](c5ccc(F)cc5)N6)nc34)c12 97948483 MGPLOAYWOIKPSY-CJNGLKHVSA-N 574.514 6.796 5 40 KKBB CCCCCOc1ccc(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 100045963 VXKVFWODXWOEIA-UHFFFAOYSA-N 520.454 6.458 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 100281012 LMIHRZXIXNLPGB-SFHVURJKSA-N 535.691 6.807 5 40 KKBB CC(C)Oc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)c1 100374715 REMPQDLGZLRQSZ-KMRWNETISA-N 546.712 6.361 5 40 KKBB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(C)nn(-c2ccc(Cl)cc2)c1O 102975079 AVDKNEUFRVUSTM-NOZRDPDXSA-N 550.402 6.272 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccnc1)[C@@]21C(=O)Nc2ccccc21 103542961 BGAHJQLDWMQREK-HKFRAXQBSA-N 556.578 5.236 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 103791788 CWCMWGSLINJMNJ-KEPJHFNWSA-N 611.035 6.049 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1cccc(C)c1 106728687 WLKCWQPETDAXDT-MYYYXRDXSA-N 504.564 6.117 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2-c2ccc(F)cc2)sc2c1CCC2 150390063 ZFEUBCSBNHGMKM-UHFFFAOYSA-N 638.703 5.011 5 40 KKBB C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@H](CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H]3C 150462882 DQVGVYRSVYCJRR-GZRYHDRUSA-N 871.220 13.503 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 164523424 SQWKGAJDLDXWCP-FABFSAKGSA-N 775.475 6.948 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224542005 KOKFOCLUSDBPPD-HKBQPEDESA-N 683.614 6.263 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224905756 IUMRVQNROGHYOY-KRWDZBQOSA-N 538.497 6.001 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225570107 IRLNLKHKBLCCHI-JGCGQSQUSA-N 697.641 6.653 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225631154 RKHFWTUSIGMOOW-SSEXGKCCSA-N 699.613 5.800 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 253575184 UHGQCXBJESHKCT-OREYSHIXSA-N 506.558 5.701 5 40 KKBB CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408563527 AVSNPSNAEHNNAN-LAMXGVLKSA-N 577.262 5.857 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1ccc(F)cc1 408571872 PSVWDILFPCKIKU-HSZRJFAPSA-N 543.418 6.166 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccccc1 408572412 RCABHTHGFNNJTG-HSZRJFAPSA-N 515.422 6.572 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc([N+](=O)[O-])cc1 408637833 BGQCDNLVMYOWNJ-UHFFFAOYSA-N 636.058 7.052 5 40 KKBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408638510 CSUAXZMERQDCQK-VYWIQWNJSA-N 680.155 5.979 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408643113 OTFDIFHLHJDDPN-UHFFFAOYSA-N 756.165 8.271 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408685088 ONSSENYRIVYVLU-TUSFPTNYSA-N 642.081 5.738 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408734107 DBUINYRLMKGTJR-FUFNRSNVSA-N 638.098 5.417 5 40 KKBB Cc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c1 408845595 QQRHLEFOSNAESB-UHFFFAOYSA-N 505.939 5.672 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408853534 PDWBAHUCPGDKFB-WWWKDLBZSA-N 606.660 5.441 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc([C@H]4N[C@@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl 408987070 ACMRGSRNTXWXKP-VGSWGCGISA-N 573.077 6.050 5 40 KKBB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)N(CC(=O)OC)C2=S)cc1 409062158 OQJAMSWBMFGDFA-IWIPYMOSSA-N 566.035 5.537 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409095049 BCTQXRKQHCLHTG-KEBDBYFISA-N 558.772 5.696 5 40 KKBB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 409120742 SNLZDNVPRFKZTB-UHFFFAOYSA-N 547.589 5.260 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(Br)cc1 409156996 ORWMRWZJGYTPRG-VXLYETTFSA-N 607.236 6.055 5 40 KKBB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F 409173960 QGINTHNMVGRSRP-DEOSSOPVSA-N 500.429 5.500 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 409189013 HCYZCDTWCJCGBW-OXDPQRGISA-N 755.665 7.087 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409224015 IEOWJRYBTYMAFU-WYMPLXKRSA-N 583.416 5.864 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O)Nc1cccc(F)c1 409244053 WVNLUFMSDDURKR-FBCYGCLPSA-N 536.324 5.976 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)o2)cc1[N+](=O)[O-] 409346714 LDCDICYTZORMSO-RGVLZGJSSA-N 589.367 5.443 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccccc3Cl)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409350903 WEWLPLCEOVZYJH-LCQSEVKBSA-N 604.084 5.247 5 40 KKBB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 409356831 GUEQSBLQKMLCLG-LJQANCHMSA-N 585.901 5.932 5 40 KKBB C[C@H](c1ccccc1)N([C@H](C)c1ccccc1)p1oc2c(-c3ccccc3)cc3c(c2c2c4c(cc(-c5ccccc5)c2o1)CCCC4)CCCC3 2171432757 IURXNEVILFDRGW-KKLWWLSJSA-N 699.875 13.842 5 40 KKBB O=[N+]([O-])c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1 4015895 FGQAUBYZWGQYDS-UHFFFAOYSA-N 592.607 9.451 5 40 KKBB COc1cc(CC(Cc2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(OC)c1OC 4976486 OAAKFKBWPLKHHL-UHFFFAOYSA-N 621.680 5.101 5 40 KKBB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4c5cc(C(C)(C)C)ccc5[C@@H](c5cc(C(C)(C)C)ccc54)[C@H]3C2=O)c([N+](=O)[O-])c1 8396873 CQGAMSNGONRHRZ-GCXHJFECSA-N 552.671 6.985 5 40 KKBB Cc1ccc(-n2c(/C=C/c3ccc(Br)cc3)nc3ccc(I)cc3c2=O)cc1[N+](=O)[O-] 101063206 CZUUQQSNBNDUEE-VZUCSPMQSA-N 588.199 6.140 5 40 KKBB O=[N+]([O-])c1cccc([C@@H]2Oc3c(Br)cc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)c1 101510827 ZWRJAGWJJWZENT-UNMCSNQZSA-N 529.188 6.362 5 40 KKBB O=[N+]([O-])c1ccc(C2=NN(c3ccc(/C=C/c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc3)[C@H](c3ccccc3)C2)cc1 102936772 UHVUZIZMKSNXHN-FSGILBIHSA-N 589.655 8.838 5 40 KKBB CC(C)c1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(Cl)cc1 103006754 KPSQUDOKGAQRTH-MRXNPFEDSA-N 556.475 7.392 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307867 VHGHQMWBULQEDU-UHFFFAOYSA-N 521.986 5.783 5 40 KKBB CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@H]3C2=O)cc1 106013701 MTYNENLYGAFTQZ-JFHPUIQFSA-N 623.618 5.663 5 40 KKBB O=C(CSc1ccc(NC(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)NC(=O)c2ccccc2)cc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 150483686 NVKIZMOTLUCPCE-GTWSWNCMSA-N 780.682 8.881 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222470193 NGCAXYPLBQAQRT-SSEXGKCCSA-N 699.613 5.800 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 224784145 BGJACDMPWHVNQJ-FQLXRVMXSA-N 594.678 7.017 5 40 KKBB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 225676913 PRPWIDVFMKSUFJ-WUFINQPMSA-N 573.631 5.268 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(Cl)cc1Cl)[C@]21C(=O)Nc2ccccc21 248337838 QKIIMVJPMJSBIP-YUAOJYLXSA-N 624.480 7.148 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260988849 CGWKIRAGQBMITJ-RTWAWAEBSA-N 649.141 5.232 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260991774 CVQKQXSKEWYKLA-JGCGQSQUSA-N 707.249 6.315 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408565178 INJIZEBSMJNLEB-ZVFGGPEJSA-N 596.453 5.620 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1 408565280 BNGSJMYZOVEIFD-HSZRJFAPSA-N 563.894 7.533 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Br)cc1 408568541 HZRFKXIYGQORRA-AREMUKBSSA-N 583.508 6.734 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Br)cc1 408571374 ONWMOYYEISESQZ-RUZDIDTESA-N 569.481 6.344 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCC 408573079 SKLHYZHAOBBKDJ-IBGZPJMESA-N 525.400 5.385 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1ccc(Br)cc1 408729241 BKMYERMVYQJTRO-YVBHXKDBSA-N 678.561 5.556 5 40 KKBB COc1ccc([C@@H]2C=C3c4c(ccc5ccccc45)OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]32)cc1 408732471 RVVMAVWXMYEPDE-UUAGDVGUSA-N 560.562 5.587 5 40 KKBB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408772677 GZLBMYLUWQNJEG-KLKBWYFJSA-N 631.492 6.339 5 40 KKBB Cc1c(Br)ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(N(C)C)cc2)C3=O)c1C 408996650 LZKDFEQRSDMKFX-UHFFFAOYSA-N 559.420 6.738 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409034836 OHVSNOWSOATKGT-BXMULHQWSA-N 801.510 6.606 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c2=O)=N1 409039019 GEYNKMFMMHMPRJ-FSEOGBMLSA-N 721.413 6.825 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409052294 JFVWWNDYHPEHBT-QRVIBDJDSA-N 569.433 6.490 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C(c1ccc(C)cc1)c1ccc(C)cc1 409078185 HWXBALKKMGLVJA-ZVBGZEEKSA-N 506.558 5.644 5 40 KKBB CC1(C)OC(=O)C([C@@H](c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c2c[nH]c3ccccc23)C(=O)O1 409121310 ZAVZNHUGKZFTHW-QHCPKHFHSA-N 752.299 6.449 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409133341 QIQMOCJRLLNFIZ-LFVJCYFKSA-N 539.009 6.505 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409276353 QBVOXDCOIMUXRP-NNAGEYCMSA-N 683.625 5.494 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409352799 DUKOPMPYUGKHBG-LCQSEVKBSA-N 648.535 5.356 5 40 KKBB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc3c(c2)nc2c4ccccc4c(-c4ccc(Cl)cc4)nn32)cc1 6023839 ZYNMXSZIJVMYNM-LJQANCHMSA-N 570.074 5.970 5 40 KKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4cccc([N+](=O)[O-])c4)CCC[C@H]3[C@@H]2c2cccc([N+](=O)[O-])c2)n1 8455456 VYXMSYOEPBOPMV-FUSANKIHSA-N 545.512 5.064 5 40 KKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4cccc([N+](=O)[O-])c4)CCC[C@@H]3[C@H]2c2cccc([N+](=O)[O-])c2)n1 8455457 VYXMSYOEPBOPMV-VOGPWYKLSA-N 545.512 5.064 5 40 KKBB CCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 24522501 MDFAGFSWQBOYFQ-SVBPBHIXSA-N 502.567 6.438 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 33358595 AOULBZNGHCVXIG-GGAORHGYSA-N 671.257 8.566 5 40 KKBB Cc1cc(CSc2ccccc2)ccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 59887546 DJBFHGIOTQGYHJ-UHFFFAOYSA-N 547.658 6.030 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(Cn5nc(C(F)(F)F)c(Cl)c5C5CC5)nc34)c12 97945233 SONBBXRSBPPJOY-UHFFFAOYSA-N 513.883 5.928 5 40 KKBB O=C1c2cc(OC(=O)C34CC5CC(CC(C5)C3)C4)c([N+](=O)[O-])cc2-c2cc([N+](=O)[O-])c(OC(=O)C34CC5CC(CC(C5)C3)C4)cc21 102899234 KMFMCXMPHCBQOF-UHFFFAOYSA-N 626.662 6.958 5 40 KKBB CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 102969904 UNDIMEQHGWFOKV-GDLZYMKVSA-N 513.594 7.838 5 40 KKBB CCOc1ccc(-n2c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nnc2-c2c[nH]c3ccccc23)cc1 103080717 HFRSVLWIOLJMOJ-UHFFFAOYSA-N 532.557 5.592 5 40 KKBB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3F)n2[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 103141837 PTBVLKBTEDEXGQ-SOAMZJECSA-N 555.632 5.641 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 103817959 RXQTVSFAUMQIKM-NULZLWRNSA-N 576.590 5.395 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 105222786 LNAJCGRBMRIMQH-BMRADRMJSA-N 536.592 6.395 5 40 KKBB O=C(NC1CCC(CC2CCC(NC(=O)c3ccc(N4CCCCCC4)c([N+](=O)[O-])c3)CC2)CC1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 150454971 LOGVVJKYMLCMPD-UHFFFAOYSA-N 702.897 7.931 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c2=O)=N1 163466964 RRMRVBRSCYUVPR-DDIUQFJASA-N 783.539 7.714 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 164552226 RDDDJZDVIRADJV-WGJPBTIMSA-N 899.501 6.641 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)n1nc(NCc2cccc(Br)c2)nc1NCc1cccc(Br)c1 199432068 KXJGPPYAXBVUAH-UHFFFAOYSA-N 586.244 5.624 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)N1CCCC1 205871896 DJFAFANDDAHQDZ-VXLYETTFSA-N 600.369 5.827 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223152212 MWABWGIVLKKISJ-MGBGTMOVSA-N 658.777 5.192 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223544898 KASWPTPXGXFBDJ-JIPXPUAJSA-N 554.112 6.036 5 40 KKBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223947829 HZRPJIFQQWJENC-HXUWFJFHSA-N 633.554 5.573 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 224076486 DGRLAAZLXIJZAG-FTJBHMTQSA-N 551.024 6.106 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4)o3)cc2)cc1 224785636 IAAPTYNSLMHDJV-VMPREFPWSA-N 550.665 7.578 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224876314 ODRQXYIQNJXUTR-SANMLTNESA-N 540.085 5.646 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)o1 225087455 VKSBBTGBTWZOEZ-AJQTZOPKSA-N 621.675 6.453 5 40 KKBB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC 225309751 KRXIYALNMTYZKD-SVBPBHIXSA-N 559.604 5.020 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260936499 YSXAZUSTHHRPQY-OAQYLSRUSA-N 665.596 5.603 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1F 408573602 TYBPIYBSJUGYGQ-SANMLTNESA-N 522.602 6.029 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408645764 IFTJSISRVNYODY-HDDXADFGSA-N 606.418 5.741 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408650054 ZFFUIICYAIPBCX-UHFFFAOYSA-N 721.720 7.617 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733134 DYKAWYUDUIVTPE-QZMHYXCESA-N 618.882 5.927 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 408926413 NGGUTZCFPOXZQZ-KFOJKGMOSA-N 682.755 5.044 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 408996957 FQCVQCDRWYSCPK-CBYYHRJHSA-N 608.470 5.037 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]32)c2ccc(C)cc2)cc1 409089846 KMRMJXVFFYSBDU-TUJIQRHUSA-N 510.977 6.289 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1 409152543 FSSLKADFTGRJDQ-WSDLNYQXSA-N 573.505 6.090 5 40 KKBB Cc1ccc(-c2csc(NC(=O)CSc3n[nH]c([C@H](NC(=O)c4ccc(Cl)cc4Cl)C(C)C)n3)n2)cc1[N+](=O)[O-] 409172658 FEYARTAECAGOCE-OAQYLSRUSA-N 620.544 6.310 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1 409194662 QMQUIPZERUCXNS-LNXFQTKESA-N 711.584 6.089 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409271364 BVFFKUKVXJVATL-RGVLZGJSSA-N 513.325 5.537 5 40 KKBB Cc1nc2sc(C(=O)c3cccc([N+](=O)[O-])c3)c(N)c2c(-c2ccco2)c1C(=O)Nc1ccc(Cl)cc1 1763023 RVVMNGQLJFNENZ-UHFFFAOYSA-N 532.965 6.492 5 40 KKBB CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n(C2CCCCC2)c2nc3ccccc3nc12 2286816 NJMGQNUEKCXQRJ-FOCLMDBBSA-N 513.554 5.827 5 40 KKBB NC(=O)C1CCN(C(=O)c2ccc3c(c2)nc(SCc2ccccc2Cl)n2c4ccccc4nc32)CC1 2970641 QTNUMZPYEKGKBT-UHFFFAOYSA-N 530.053 5.319 5 40 KKBB CCOC(=O)c1sc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)c(C(=O)OCC)c1C 3322877 NDGRAZJAJQLZAH-UHFFFAOYSA-N 519.575 5.512 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 59331878 CKRRFYHJTUNQLD-UHFFFAOYSA-N 519.005 6.177 5 40 KKBB CCOC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4C)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)sc2c1CCCC2 97986505 GAKOOUXIFVPRHC-SDHOMARFSA-N 561.616 5.071 5 40 KKBB O=C(c1ccc(Cl)cc1)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 97997114 ZDZQPJMAWWFCFB-HHHXNRCGSA-N 627.882 7.511 5 40 KKBB O=[N+]([O-])c1cccc(/C=C2\CCC[C@H]3C2=NN(c2nc(-c4ccc(Br)cc4)cs2)[C@H]3c2cccc([N+](=O)[O-])c2)c1 100490238 OLXHDERNBBFXMA-BOIOHCFISA-N 616.497 8.190 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1 104656818 ZBECEYCGUBLEKQ-NBQDTTAVSA-N 575.646 5.804 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccccc1Cl 105979369 BQLJMEACCPREFN-UUYOSTAYSA-N 589.851 6.835 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1)Nc1cccc([N+](=O)[O-])c1 139014915 XLMWDPWHKIJOAR-FQEVSTJZSA-N 525.517 5.075 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(SC)cc1 150395547 JIXDBVXMSZTQLX-POKSHJSXSA-N 637.739 6.134 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccccc1 150447386 RELRMRVEECFWDR-JMIUGGIZSA-N 701.271 7.606 5 40 KKBB O=C(Nc1cccc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)/C(=C/c1cc(Br)ccc1F)NC(=O)c1ccccc1 150484514 ZJMFBGQZPLVKJD-PCLOCDPPSA-N 689.519 6.330 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223327068 XQSRSIOWOVRHBY-VCTRWQRLSA-N 642.778 5.653 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223968909 LHESGWHETVOEDU-HHHXNRCGSA-N 675.204 5.493 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 225147008 HKXQEHJCXGXGRZ-UIOOFZCWSA-N 562.051 6.675 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C 225169589 FGDBTBYWWQBDHC-KAYWLYCHSA-N 527.606 6.084 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12 225711074 LWQITVYVXADVHD-LOYHVIPDSA-N 562.655 5.935 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc2ccccc12 408557052 LWRCSJDOTSBVEM-UHFFFAOYSA-N 507.384 7.100 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408565704 CVVBUTLBVGZJFP-QHCPKHFHSA-N 624.344 7.343 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Br)cc3)cc1)[C@H]1CCCN12 408568418 UJYFSJPTBCVFCJ-BGBNXGLDSA-N 534.410 5.083 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1ccc(Cl)cc1 408572014 QJTOEHBPPOUIPB-HSZRJFAPSA-N 577.863 6.820 5 40 KKBB COc1cc(CNc2ccc(Cl)cc2Cl)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408608052 MJMGFEOICZXTRI-UHFFFAOYSA-N 566.157 8.096 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C(=O)O)o1 408634147 RMRLPVANGOPMMO-CIAFOILYSA-N 541.994 6.676 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408642338 MWCLSTHMPSRGPP-ZRZAMGCNSA-N 561.978 5.456 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccs1 408642974 OJQIPDFMMLRYGZ-BMHXQBNDSA-N 658.130 5.343 5 40 KKBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408666433 PPSCCHARBQNSFG-QWGGJERUSA-N 722.192 6.121 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5cccc([N+](=O)[O-])c5)c(Cl)c4)c(=O)n32)cc1OCC 408932686 DNSKGXVGAGKRFS-MKTOWPBFSA-N 684.554 5.610 5 40 KKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O 409159386 ZVAILZNTNKKHAI-SSDVNMTOSA-N 636.402 7.152 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1C 409162389 DLPKFYLUYOOHKP-SRZZPIQSSA-N 556.394 5.909 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O 409238946 XJLFRBCOMCGBTN-XDHOZWIPSA-N 568.389 5.623 5 40 KKBB COc1ccc(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1[N+](=O)[O-] 409337846 XPUVOYUIRGVSRL-UHFFFAOYSA-N 522.520 5.214 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409341175 DDOBSVSKVPBAAZ-PIXWUVMMSA-N 725.561 5.207 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc5ccccc45)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409354098 YBSBGZHDEZLEDF-SOJUGJLBSA-N 871.491 6.956 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409356292 FZTFDFKVVYXWSE-ZWTBYVTRSA-N 855.876 6.457 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 8765784 CXILAYFYFVVMRL-UHFFFAOYSA-N 512.927 5.541 5 40 KKBB CCCN(c1ccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1)S(=O)(=O)c1ccc(C)cc1 28209325 AXWJIFXPBMAEGT-UHFFFAOYSA-N 509.609 5.976 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc5ccccc45)C3=O)cc2[N+](=O)[O-])cc1 100367457 PLEGBYYYOUMHMJ-QQXSKIMKSA-N 555.637 6.883 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 100949411 UUMGVPAVMBFNCK-VPHSIRQSSA-N 613.095 5.363 5 40 KKBB O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccc(Br)o4)n3Cc3ccccc3)c1)OCOC2 101726791 LPEQADZEHKGVAB-UHFFFAOYSA-N 529.372 5.416 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)cc2[N+](=O)[O-])CC1 104098769 YLKMCAAPLLAVGX-UHFFFAOYSA-N 527.408 6.643 5 40 KKBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 222553045 JHLTYJBKHMMFRB-MUUNZHRXSA-N 533.694 5.549 5 40 KKBB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223011362 LLGRFJYIWOHRTH-IBGZPJMESA-N 681.993 5.076 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223398162 UPKNRKUIYOPUEA-QRRWFCJLSA-N 721.276 6.624 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1OC 225200722 LVYTXYIUZQALTF-VSGBNLITSA-N 573.631 5.793 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)o1 225621228 DCEYONQXUZJBQB-RRPNLBNLSA-N 561.595 5.399 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)o1 225638261 GVCDZKWCEHVJJJ-WDYNHAJCSA-N 571.659 5.877 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccnc1)[C@]21C(=O)Nc2ccccc21 248328231 BGAHJQLDWMQREK-AGKKXDHOSA-N 556.578 5.236 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 408565288 BPPHVJDBYFMGKJ-QHCPKHFHSA-N 563.438 6.719 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1 408565883 DCGCXOCOSPKSSB-AREMUKBSSA-N 587.073 6.855 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc34)C2=O)cc1 409022170 HLMQIHOJAMCLGK-WGOQTCKBSA-N 536.544 5.167 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409159931 CAHMHXLLCJORHG-MTDXEUNCSA-N 618.668 5.084 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409166859 GAESCAFDZIMYMG-YDZHTSKRSA-N 555.406 6.181 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 409182975 PVOGBAPRCDOFGN-UHFFFAOYSA-N 511.486 5.954 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 409189310 PGMMLNCZOMJDKM-NPNXEGEYSA-N 794.315 6.882 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccccc2)OC1=O 409191737 LZURKWNDSIMMNY-KOTFUQRNSA-N 519.307 5.321 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409226098 SBXYDQCBTCMUNJ-ZVHZXABRSA-N 597.443 6.254 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c(C)c1 409371468 COIQMOJCSMTEHA-FSJBWODESA-N 585.560 7.006 5 40 KKBB O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1COc1ccc(Cl)cc1 585265779 UFEXIBVTLOLWDQ-UHFFFAOYSA-N 622.103 5.195 5 40 KKBB Cc1ccc(N(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)C(c2ccccc2)c2ccccc2)cc1 725050 LHVSFUGDPXCFHQ-UHFFFAOYSA-N 505.530 5.322 5 40 KKBB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2-c2ccccc2)c([N+](=O)[O-])c1 6136531 AUPHTCHPSDIWTE-UHFFFAOYSA-N 540.399 5.344 5 40 KKBB C[C@H]1CCC[C@@H](NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)[C@@H]1C 12546354 FZXVXSHYLHIXTC-QMTMVMCOSA-N 506.550 5.986 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5ccc6ccccc6c5)nc4c3)cc2[N+](=O)[O-])CC1 59294138 PFUJIAFZMXHWJZ-UHFFFAOYSA-N 506.562 7.045 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 100231737 MPLQMJMHIQJOBQ-ZVHZXABRSA-N 551.552 5.387 5 40 KKBB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 103001090 UNKSAGPEBHKCFB-GOSISDBHSA-N 606.491 8.061 5 40 KKBB C[C@@H]1N(C)c2cc(NC(=O)c3cccs3)c([P@](=O)(Nc3ccccc3[N+](=O)[O-])N3CCOCC3)cc2C1(C)C 103957201 RMEATOQVOHWSIB-OBICXDTRSA-N 569.624 5.287 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104258876 YXIPCEKMQLVIJU-MQXWNXJFSA-N 525.386 5.199 5 40 KKBB COc1c(Br)cc(Br)cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 105949460 USUNJBFIXBBLJO-UHFFFAOYSA-N 567.156 5.110 5 40 KKBB C[C@@H]1N(C)c2cc3c(cc2C1(C)C)[P@@](=Nc1cccc([N+](=O)[O-])c1)(N1CCOCC1)OC(c1ccco1)=N3 110551405 NTPKTTLMGLANLN-DCDFMGFMSA-N 535.541 5.733 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 111470039 HYCIXQABBCSLTM-POKSHJSXSA-N 621.671 5.421 5 40 KKBB CC1(C)C[C@@](C)(c2ccccc2)c2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 163936841 VOZSDOMVLJKTAC-GWHBCOKCSA-N 733.333 11.981 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214677498 NCPGUUNJWDWCMR-BUVRLJJBSA-N 533.562 5.248 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223601433 ISKSDLFVXZHDON-JIPXPUAJSA-N 554.112 6.036 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 224068926 FUCOIVOMQQCBIY-CLJLJLNGSA-N 551.024 6.106 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224816701 FYGCMJUEMQSXAJ-MHZLTWQESA-N 635.570 5.677 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1Br 224946680 LZDZFPGZPIRBQN-BJKOFHAPSA-N 535.423 6.498 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225245685 GTVSAORGXKQEPR-QFIPXVFZSA-N 675.602 5.203 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225494017 VFFRJPIKARQHNI-JGCGQSQUSA-N 646.741 5.486 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2Cl)C1 260916508 JFOZYGXJNYIJSE-GVXWNRQESA-N 587.149 7.093 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1cccc(C)c1 408559095 UHSASBFYDUVKHL-UHFFFAOYSA-N 561.376 5.536 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 408565204 BHOSLNHZMYMHPW-XMMPIXPASA-N 603.926 6.998 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 408568591 IBGDFCIQIKDTIF-SANMLTNESA-N 538.601 5.811 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 408569626 JXNFVCGSHBKJTL-RUZDIDTESA-N 557.047 6.683 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)CC2)c([N+](=O)[O-])c1 408572220 HLNRTWBEDUYVIR-DHZHZOJOSA-N 603.484 5.575 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408643979 QKTLZMJJRIIWIG-ILBGXUMGSA-N 636.444 5.702 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)C1(Br)c3ccccc3C2(Br)c2ccccc21 408756582 WJMTXKVVGXIYFG-DQXSBBCTSA-N 630.292 6.672 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 408789094 JHDVUSQKFCBFHH-NXYYLBPMSA-N 915.569 7.354 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408830813 PXFBBCRIQXXDEI-LCQSEVKBSA-N 634.110 5.256 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(OCC)cc1 408833731 USXHFIDQJIJESF-ACHQHTMYSA-N 649.725 5.837 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409080899 ODCGEVPWIJJTFW-KGXBHJDWSA-N 819.734 8.001 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409133722 QZGACFOSLCOWCI-OEAKJJBVSA-N 575.481 6.952 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)c(C)c1 409179833 UCPFPLGUACJJBJ-FMCGGJTJSA-N 505.552 5.763 5 40 KKBB Cc1cccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)c1 409180892 WYUKJVBMQPVAEY-UHFFFAOYSA-N 508.486 5.853 5 40 KKBB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 409234248 JNNWXUOPQFLEAB-LPYMAVHISA-N 569.355 5.180 5 40 KKBB O=C1N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1Cc1ccccc1 409241688 SYBKPPZUKGDFJM-CIAFOILYSA-N 681.224 5.476 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409252326 DEEVCWZNZHNHBC-FOKLQQMPSA-N 603.487 6.242 5 40 KKBB Nc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c12)C[C@H](c1ccccc1)S[C@H]3c1ccccc1 1865635 JUNFLXCNDTUBEI-VWNXMTODSA-N 542.711 7.594 5 40 KKBB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)ccc1C 3286712 HLGKNVNWGUJRLW-UHFFFAOYSA-N 527.598 5.827 5 40 KKBB CCC(C)(c1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1)c1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 4017323 AGKZNRBMSSULSQ-UHFFFAOYSA-N 698.320 8.182 5 40 KKBB Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 6189038 ZJIICSOSGNTPRR-JOCHJYFZSA-N 500.374 5.206 5 40 KKBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1ccccc1-c1ccccc1 6474487 NUASTRRTMWTJHJ-UHFFFAOYSA-N 507.575 6.240 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 8426143 MQLLPVIAZSUWJJ-XVJPVSGASA-N 637.442 5.538 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 9319407 UNVCFEQCMWMNQQ-HPQIJTKRSA-N 515.525 5.146 5 40 KKBB O=c1n(Cc2c(F)cccc2Cl)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n1Cc1c(F)cccc1Cl 13590708 OKAYQRUFLGCCDJ-UHFFFAOYSA-N 509.252 5.301 5 40 KKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 22832087 IICKLUKHNIGPIZ-UHFFFAOYSA-N 507.757 6.579 5 40 KKBB Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccc(C)cc32)cc1 59428187 BXVUBHSJAIYOKE-LJAQVGFWSA-N 519.066 8.215 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(Br)cc3)N4)cc([N+](=O)[O-])c2)cc1 97949105 PHBMBQWMQCLGQQ-UKILVPOCSA-N 646.420 7.657 5 40 KKBB C[C@H]1C[C@H](N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 100112866 LWLXBSZSSOASIX-JMQGSBJISA-N 605.434 7.637 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)c(C)c1 100347554 YSWIOXQYIATGHR-QRVIBDJDSA-N 554.049 6.691 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(c5c(F)c(F)c(F)c(F)c5F)CC4)cc3)cc2[N+](=O)[O-])CC1 105303467 ITRHTIQFMLGNMT-UHFFFAOYSA-N 589.565 6.106 5 40 KKBB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3Cl)oc2c1 105312315 KHIGQYUWNLLGLZ-UHFFFAOYSA-N 552.012 5.328 5 40 KKBB CC(C)(C)OC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NSc1ccccc1[N+](=O)[O-] 150383089 ZQGXUHFEYQBNHR-MPQUPPDSSA-N 776.981 7.471 5 40 KKBB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c(OC)c1OC 150484651 MUKQCYIARFOPRA-HDFSHUSISA-N 682.711 5.454 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1 163995333 KRXZLDFRNGSCHJ-MHDNGKQISA-N 630.700 7.401 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1 214190591 CPQKMULONNXWHW-SRZZPIQSSA-N 511.899 6.185 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222576863 MVBGDTKWKZOTBS-HHHXNRCGSA-N 631.151 5.093 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222720500 SXITYDUILWSPDV-YTTGMZPUSA-N 646.741 5.342 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223262739 FQZQNCZMAJWEDQ-OAQYLSRUSA-N 649.141 5.233 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223768650 PXARRCGUHFNCTM-JIPXPUAJSA-N 598.563 6.145 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224456870 SIKDCBSSKLJFBG-SANMLTNESA-N 574.530 6.301 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)o1 224721815 OBMMEXLQXAYJPH-JSOSNVBQSA-N 578.650 7.536 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225012905 RSWMXVZSHOYZCX-MHZLTWQESA-N 564.480 5.599 5 40 KKBB COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2ccccc2[N+](=O)[O-])N3Cc2ccccc2)cc1 408528853 LNYYLFMGZFVWTC-UUWRZZSWSA-N 634.714 7.078 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc(F)c1 408555641 GRRFKJWLNPQCOU-UHFFFAOYSA-N 508.287 5.538 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl 408562545 AMIPMFNDBZHAMB-UHFFFAOYSA-N 500.747 5.608 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 408573995 UIXIMMNVTBIVNX-SANMLTNESA-N 597.535 7.043 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 408575516 WLNGCWBVDZJVDZ-MHZLTWQESA-N 587.529 7.587 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1)c1cccc([N+](=O)[O-])c1 408639795 ZPKYWDOCCDMEJC-QHCPKHFHSA-N 536.540 5.833 5 40 KKBB O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccccc1[N+](=O)[O-] 408648883 CQCAMBRRNJBHNA-HCOICLPRSA-N 593.463 5.792 5 40 KKBB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 408720465 QAMFYOMDJXYJON-KDXFCVBFSA-N 520.585 6.009 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408851374 YEQAEBCMCBWDPT-UNDLXJOSSA-N 613.692 5.073 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408853129 LTUVDFMFDBCKNI-PRLWALMFSA-N 587.654 5.062 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5cccc([N+](=O)[O-])c5)c(Br)c4)c(=O)n32)cc1OCC 408934654 MCIXGDPNOYOFOY-MGQZUQOPSA-N 694.560 5.065 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409048829 PDZLZFAXEZYOHU-OCDQFKQQSA-N 722.614 5.844 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1CCOc1ccc(F)cc1 409054965 WRWHNQYEZAAMKT-UCQKPKSFSA-N 528.945 6.082 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409089964 PLAWNDPXWMEXKI-QTTRZTASSA-N 591.089 5.234 5 40 KKBB CCCOc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1OCC 409115035 HXDAONJVECOIFR-JGCGQSQUSA-N 551.643 7.144 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1 409155537 LNWQGDMIWXXHQH-WSDLNYQXSA-N 557.506 6.389 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(N2CCOCC2)cc1 409160869 JQTWVOMUBYHUAU-QQXSKIMKSA-N 653.511 5.448 5 40 KKBB O=C1N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 409165903 ALSOPFSZWQUNEY-RGVLZGJSSA-N 607.642 6.450 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 409181984 HIDSCTVUGVPTES-OYKKKHCWSA-N 596.459 6.174 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc(F)c1 409236712 GSRVOPHCKSEJEV-SSDVNMTOSA-N 586.395 5.750 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc([C@@H]4N[C@@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1)c1ccccc1 409333012 AJUVJAPIDHFOKF-VGOFRKELSA-N 538.632 5.396 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1cc2cc(Br)ccc2o1 409342626 HACGZFULLQFKRW-UHFFFAOYSA-N 516.377 5.421 5 40 KKBB CCOc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccccc4[N+](=O)[O-])c(N)c23)cc1OC 6090202 CDJIEOMWGGVJLT-UHFFFAOYSA-N 540.601 6.780 5 40 KKBB O=C(Oc1ccc(C(c2ccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)(C(F)(F)F)C(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1Cl 8432548 VEYBDSHYENOLKA-UHFFFAOYSA-N 703.331 8.659 5 40 KKBB O=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 9062492 OMOMEGXGLGYFJV-UHFFFAOYSA-N 509.547 5.700 5 40 KKBB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5Cl)cc4)cc3)C(=O)[C@H]21 100390403 QGAMWNKSVGNEGX-OLIRRTGVSA-N 558.974 6.099 5 40 KKBB CCCCn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1S[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 100817301 BHVJEVAEKZWQAQ-QGZVFWFLSA-N 614.750 5.153 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N23)c1 102890548 VRNRUJWSUQUVEG-RCFASBGUSA-N 599.643 6.158 5 40 KKBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)O[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 103066988 LMDCRSNBMCIIKB-QFIPXVFZSA-N 575.883 5.176 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 104084000 VKWVLPLKJOWCBA-WUXMJOGZSA-N 530.968 5.609 5 40 KKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3)nc2c1 104221885 ZZRKAMPXDCZSLT-UHFFFAOYSA-N 546.377 7.549 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5c6ccccc6cc6ccccc56)c(=O)n42)c2ccccc2CC3)cc1 104657521 URBGNRKGHXFLOT-MDYVMDJYSA-N 550.683 6.634 5 40 KKBB CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3Cl)CC2)cc1 105025697 QMPODNSQZYYCQJ-UHFFFAOYSA-N 537.016 5.560 5 40 KKBB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 105302742 GMXWTHFKWRPOQV-UHFFFAOYSA-N 532.792 8.139 5 40 KKBB CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105305823 YOKXVYUCCAJGIC-UHFFFAOYSA-N 529.622 6.083 5 40 KKBB CCc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 105306350 DSXBYEADDBPCJS-UHFFFAOYSA-N 566.039 5.582 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1 105498337 FDLKFUQSDVEEMG-QARYAGPDSA-N 621.027 5.060 5 40 KKBB CC(C)[C@H](NC(=O)CNC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NSc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C 150383057 JVADZRVXECAVKU-NQVJXQQZSA-N 728.937 6.884 5 40 KKBB COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCCNCCCNc3c4ccc(Cl)cc4nc4ccc(OC)nc34)c2n1 150422613 XVYPVFKAYXSAQZ-UHFFFAOYSA-N 687.676 7.467 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1F 214358255 LLTAFMORMMGPSD-SRZZPIQSSA-N 518.444 6.782 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222619110 IHBNREFZHUDSDO-SSEXGKCCSA-N 744.064 5.909 5 40 KKBB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C(C)C 224769973 LZNQUXJAIYGTPO-NSOVKSMOSA-N 543.718 7.317 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224851961 IHBROGLWKZVHAD-HHHXNRCGSA-N 635.570 5.677 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225062050 ZFSJPUHEQYMIFR-XIFFEERXSA-N 709.652 6.796 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc(Cl)cc1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 248340320 UTSKPBSVUGXZSY-CTMYTVLESA-N 590.035 6.494 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OC 408570988 MOWLPWSONUWSBV-KRWDZBQOSA-N 513.801 5.119 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 408572314 QWJAQJWADLAUOG-RUZDIDTESA-N 524.574 5.421 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F 408575001 VIMGWZCFWKBBPW-DEOSSOPVSA-N 561.010 6.595 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc2ccccc12 408603933 CDVYXSPAQBVPFH-UHFFFAOYSA-N 540.357 6.552 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)C(=O)O)n[nH]1 408632451 QDULBODKNLJAEX-UDWIEESQSA-N 515.979 5.250 5 40 KKBB O=C(Oc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1)c1ccc([N+](=O)[O-])cc1 408756229 OUBLZLLSOGVESR-FVJLIQDKSA-N 635.701 6.599 5 40 KKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccccc1Br 408823125 DSFJGZVIDFFKSV-UHFFFAOYSA-N 514.788 7.054 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c2=O)=N1 409035757 UBFGHBFOAMJLRZ-LCQSEVKBSA-N 638.098 5.417 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 409085472 XDAIBFNXVKNOCS-ZBXXMNEPSA-N 582.059 5.104 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409160682 HVVUNJXDXGLIOU-ZFWDJNJRSA-N 696.605 5.036 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409173426 MVXOEDWRUNVYDK-UHFFFAOYSA-N 547.501 6.712 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(Br)ccc1OC 409188707 KHUBVXCQZRAZRB-JBVGNYNVSA-N 858.196 7.698 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)cc2[N+](=O)[O-])cc1 409275777 WTIGXHIHDZBVEU-QRVIBDJDSA-N 569.458 6.736 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)Nc1ccc(Br)cc1 409332485 FYOHLDMCXNYWBN-UHFFFAOYSA-N 569.418 5.498 5 40 KKBB CCCCCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)N(C(C)=O)c1ccccc1-2 2094888 VSFNEOYYHHUPEF-AREMUKBSSA-N 531.594 6.433 5 40 KKBB O=C(Nc1ccc(Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)cc1)c1ccc([N+](=O)[O-])s1 3187583 HMESJFQFXDJHQD-UHFFFAOYSA-N 508.537 5.721 5 40 KKBB CC(C)c1ccccc1-n1c(SCc2cc(=O)oc3ccc4ccccc4c23)nnc1-c1cccnc1 3355043 XFQLHRHVJOGHKH-UHFFFAOYSA-N 504.615 7.005 5 40 KKBB COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H](c3ccccc3)C2)cc1 15906600 HYXIPKPUOXVBGC-HHHXNRCGSA-N 511.965 7.169 5 40 KKBB Cc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 97656558 GGXWDECWDSOBPD-AJNNJPABSA-N 507.546 6.122 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 97971200 UVMLGXOHJPBVFH-JWABDOFGSA-N 558.585 6.146 5 40 KKBB O=[N+]([O-])c1ccc(OCCOCCOCCOCCOc2ccc(-c3ccc(-c4ccc(O)cc4)cc3)cc2)cc1 97976344 HCDBZEWQACQBAN-UHFFFAOYSA-N 559.615 6.142 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 100174768 OHOHBRNZKSCGIR-UDKDVIIMSA-N 602.646 6.784 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc3c(c1)OCO3)[C@]21C(=O)Nc2ccccc21 101672269 XHWJKRPGZBPKRW-ZXFZPVEDSA-N 599.599 5.570 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)c1ccccc1C(c1ccc(C(C)C)cc1)=NN2c1ccccc1 102402073 ZRPOUYMHYFIOPZ-JGCGQSQUSA-N 561.667 7.257 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)c1 163773717 NMTPQKSCKAGCGF-GEYGMGCISA-N 680.580 6.577 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)cc1 169358746 BIIYWHLOULXKJD-NQCYILGJSA-N 662.698 6.801 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223454924 JPVQFCNWWDDWFR-QRRWFCJLSA-N 721.276 6.624 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223587916 UZEVVNSKPRJPED-RXFWQSSRSA-N 554.043 5.190 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224627128 RKHPYILVGHTNRM-UMSFTDKQSA-N 702.830 5.671 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3Cc3ccccn3)cc2)cc1 224785132 YKNIAFXBBINVAI-URLMMPGGSA-N 564.696 6.563 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224847360 NEQMJKDVIGTODB-QFIPXVFZSA-N 526.486 5.714 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224959973 CXLLZHVSJRWCBO-FQEVSTJZSA-N 651.569 5.357 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225177531 UHTBRERKDJFFMK-SFHVURJKSA-N 548.503 5.457 5 40 KKBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225251281 CVYBQGCSVGDMFT-GDLZYMKVSA-N 513.638 5.535 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225253525 SIHOXJTWOWLRKV-DHUJRADRSA-N 668.816 6.188 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225326208 ZOPZYOFRKAQSCQ-PGUFJCEWSA-N 686.831 5.972 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NS(C)(=O)=O 225469653 BFNWKDTWQNYKFM-DQEYMECFSA-N 549.634 5.107 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408564992 AXLCXSVLRFQDPO-XMMPIXPASA-N 529.449 6.880 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408567201 GRLKDKJBZZMCKF-VFICKSILSA-N 570.415 5.134 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408570061 YHFWUZYGTHIHNX-SIJZCSJPSA-N 657.359 6.244 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)O)n[nH]2)c1 408633635 OHOSQMBKTVJNKG-KSEXSDGBSA-N 534.550 5.194 5 40 KKBB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c1 408638774 DJDRCTLJUNSQBC-UHFFFAOYSA-N 648.411 5.666 5 40 KKBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1[N+](=O)[O-] 408645262 JNRFZHCAQSZPJS-UHFFFAOYSA-N 525.945 5.640 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408654474 QPGBOKDMDYTEOG-XMMPIXPASA-N 609.547 5.168 5 40 KKBB CCOc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408757876 REWFCCGCXQPWLD-UHFFFAOYSA-N 532.350 6.453 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408850190 HSVPONWNEAYCLD-IMUCPKNRSA-N 643.718 5.081 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409098207 KIMMHMFORPKNJL-JOHYPREOSA-N 699.254 6.978 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1 409143089 UNSMUTCKFTWCRW-AHNSQEAUSA-N 667.744 5.541 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 409160161 SUCXYQJAIUBQEL-DWLKXISJSA-N 679.751 6.210 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1Cl 409172450 IIWKIBYDAFTHHL-LSHDLFTRSA-N 591.951 7.043 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409275146 ZCCGSXJPQBTTTM-SRZZPIQSSA-N 573.505 5.275 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F 1005639 TZAWLZKPHRWXDB-DHIUTWEWSA-N 505.481 6.199 5 40 KKBB COc1ccccc1-n1c(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)nc2cc([N+](=O)[O-])ccc21 3248104 GVPMTOOPACSHQP-UHFFFAOYSA-N 577.087 7.478 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3c4ccccc4cc4ccccc34)[C@H]2C(=O)N1c1ccc(Cl)cc1 9192336 XOGFVUWLFDJLNB-MPFGFTFXSA-N 504.973 6.698 5 40 KKBB CCCCOc1ccc(N2C(C)=C(C(=O)OCC)C(c3ccc([N+](=O)[O-])cc3)C(C(=O)OCC)=C2C)cc1 16639274 WETLBHINMUQTHR-UHFFFAOYSA-N 522.598 6.052 5 40 KKBB CCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3C2=O)cc1 102074650 CBBOYBJJOKYAOK-UHFFFAOYSA-N 564.934 5.045 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2n1[C@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 102654854 LNULDUDMECLROO-YVBHXKDBSA-N 600.483 6.794 5 40 KKBB Cn1c(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 102869286 SUDKIQDLVFIOMH-UHFFFAOYSA-N 519.967 5.135 5 40 KKBB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1C(F)(F)F 103111137 VWGQKTLADHMHIR-UHFFFAOYSA-N 541.265 5.947 5 40 KKBB O=c1c([N+](=O)[O-])cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)n1C(c1ccccc1)(c1ccccc1)c1ccccc1 150371182 ODWDGPXXRUWISN-UHFFFAOYSA-N 641.727 7.599 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Br)[C@@H]1[C@H]([C@@H]3[C@@H]2C(Cl)(Cl)C(Cl)=C(Cl)C3(Cl)Cl)C(Cl)(Cl)C(Cl)=C(Cl)C1(Cl)Cl 150377884 ZKRPKVLLGLFBDB-KYXWUPHJSA-N 773.591 10.872 5 40 KKBB O=C(Nc1ccc2c(c1)OCCOCCOc1cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc1OCCOCCO2)c1ccc([N+](=O)[O-])cc1 150401714 GDYBADBWLWWMEU-UHFFFAOYSA-N 688.646 5.270 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Br 215051780 ULENDIPGYVELDR-UFFVCSGVSA-N 658.246 8.167 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C(C)C 224104228 XLCQEZOPSWDZDL-KAYWLYCHSA-N 540.649 5.861 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224649374 YIUVKFXAWDJFEP-MHZLTWQESA-N 659.205 5.649 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224885927 PSTMBMMDHOQHCV-LJQANCHMSA-N 607.516 5.040 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225466941 LOPDCVKHWXSGQO-YTTGMZPUSA-N 646.741 5.486 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 408565300 BPZNNAFVBZHAMR-XMMPIXPASA-N 556.000 5.835 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408565639 LPZGZXVPPSYCID-CNBSGPCYSA-N 607.288 5.865 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1cccc(F)c1 408567147 GPAJSEBRJYBQNE-SANMLTNESA-N 522.602 6.111 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 408570986 MNYSHABRVFKGKA-RUZDIDTESA-N 638.371 7.733 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 408576062 XGURACHIIMAIJJ-DEOSSOPVSA-N 575.474 6.589 5 40 KKBB COc1cc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408633664 LJVZXDLHOMHIHY-XKZIYDEJSA-N 538.969 5.839 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 408729321 YZBNCSPFLMZJEW-KXANFNGZSA-N 637.091 7.437 5 40 KKBB Cc1cc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C 408780343 XQHKGLRUMCUCDW-IVQFASICSA-N 594.092 6.757 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)cc3Br)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 409079219 KOZCULGJXIWLII-INJWXVQMSA-N 733.424 6.363 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 409176741 WIDZDLIENDIACQ-AREMUKBSSA-N 524.460 5.316 5 40 KKBB Cc1c(Cl)cccc1N1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O 409179602 QOJAVZRSFSXFKE-MHZLTWQESA-N 554.942 6.138 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccccc1OC 409191137 SYPSAFROQXMKSH-NNAGEYCMSA-N 717.229 5.798 5 40 KKBB COc1cc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)ccc1OC(C)=O 409192667 DSOAGMNDQBPKSD-PETUHQMUSA-N 686.265 6.017 5 40 KKBB CCCC[C@H](CC)Cn1c2ccsc2c2sc3c(sc4c5sccc5n(C[C@H](CC)CCCC)c43)c21 1776011044 UADKGDDJUZOUSC-BGYRXZFFSA-N 554.916 11.734 5 40 KKBB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(SCc2ccc([N+](=O)[O-])cc2)N1c1ccc(OC(F)F)cc1 2649613 DVWZNYUQDSRYNT-SRZZPIQSSA-N 550.370 7.180 5 40 KKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)N[C@@H](C)CCc4ccccc4)cc3c3ccnc2c31 70707976 UAVGWEMDCFTCHO-IBGZPJMESA-N 535.600 5.125 5 40 KKBB biogenic CCCCCCNC1=C(C(=O)Nc2cccc3ccccc23)C(=N)[C@H](C(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)S1 102929679 GHJDFPYJIWGZMW-HHHXNRCGSA-N 575.691 6.159 5 40 KKBB CC(C)c1ccccc1-n1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(Cl)cc1 103006749 KPSQUDOKGAQRTH-INIZCTEOSA-N 556.475 7.392 5 40 KKBB Cc1cc(NC(=O)COC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1C 103078414 QBBAWGQGNJLDGV-UHFFFAOYSA-N 545.470 5.043 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Cc2ccc(N3C(=O)[C@@H]4ON(c5ccccc5)[C@H](c5ccc([N+](=O)[O-])cc5)[C@H]4C3=O)cc2)cc1 150434268 DDPOQCPGGSSIPN-CHGUBWSSSA-N 842.821 7.196 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2=O)=N1 164187058 YFFONFZIEFBMNJ-KAEGSSFASA-N 674.688 5.204 5 40 KKBB O=C(O)[C@H]1[C@]23c4c5cc6cc7cc8c9c%10c%11c%12c(c4c6c%12c79)[C@@H]4c6c-%11c7c-%10c(cc9c7c7c(cc(c(c67)[C@]412)C[C@@H]3C=5)C9)C8 169795987 ZADJNWVKEGRDBR-UNNWFFNSSA-N 540.577 7.285 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223587855 UZEVVNSKPRJPED-FQRUVTKNSA-N 554.043 5.190 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)o1 223953524 KJSYQTLINWXVHX-VSGBNLITSA-N 557.632 5.272 5 40 KKBB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)[nH]1 224762804 BEGNHHVQWSSHRS-RPBOFIJWSA-N 501.637 6.263 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225375822 MQZNTYFTHHYIPO-JGCGQSQUSA-N 663.196 6.000 5 40 KKBB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 247934091 UHXKNIZXANIXRU-ZPNDBRHUSA-N 601.615 5.468 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260799714 QGGWYEOZUJEWSM-HSZRJFAPSA-N 657.189 5.545 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408567824 RNTMZVKLRXEXAA-SIJZCSJPSA-N 596.453 5.620 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 408570903 MGOYSLSFHYYKCO-RUZDIDTESA-N 603.926 7.079 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1 408572639 ROGXYRVEFIAHIF-LJAQVGFWSA-N 649.567 7.588 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(F)cc1 408642276 MQDOQMLCVRXAHZ-ZBWOKKAISA-N 670.091 5.421 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)cc1 408642445 DVXDHDPMBGLKCJ-WVXDQTCGSA-N 691.696 6.255 5 40 KKBB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@H]5C6c7ccccc7C(c7ccccc76)[C@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] 408674043 YFXJTVOJLGQZAY-AGMRJWFBSA-N 613.626 5.258 5 40 KKBB Cc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccc(Cl)cc4)C(=O)[C@@]3(c3ccc(Cl)cc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])cc1C 408919458 YFCJXYAPQBMGKC-SUCLOZJKSA-N 699.590 8.707 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)ccc1Cl 409165355 WXWORMHKTINNOD-VYYCAZPPSA-N 633.082 6.493 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409193813 MTWMMMFKPBPPPB-INJWXVQMSA-N 753.646 5.967 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1Cl 409276039 XRJFSZQAUNWLSU-WYMPLXKRSA-N 584.006 5.519 5 40 KKBB Cc1cccc2c1ccc1c3occ(C)c3c3[nH]c(-c4ccc(-c5cc(C(=O)O)ccc5Cl)o4)nc3c21 1547206417 YJVODCVBDHJXHG-UHFFFAOYSA-N 506.945 8.511 5 40 KKBB biogenic COc1ccc(S(=O)(=O)NCCCCCc2nc3ccccc3c(-c3ccccc3)c2[N+](=O)[O-])cc1 3300748 NJZXEBPISQLLOW-UHFFFAOYSA-N 505.596 5.510 5 40 KKBB Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3308798 ILOXPCNYZHJVIA-VOTSOKGWSA-N 504.326 5.078 5 40 KKBB CC(=O)Nc1nc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)nc2c1c(=O)oc1ccccc12 18196598 SZJQURMVVSNLIY-UHFFFAOYSA-N 514.925 5.033 5 40 KKBB O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 102896828 BBUWHNWAKLCWMN-QKDODKLFSA-N 569.957 5.519 5 40 KKBB C[C@H]1N(C)c2cc(NC(=O)c3cccs3)c([P@](=O)(Nc3ccccc3[N+](=O)[O-])N3CCOCC3)cc2C1(C)C 103957195 RMEATOQVOHWSIB-ITUROAMUSA-N 569.624 5.287 5 40 KKBB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 105317423 NPETZEGHFHXQFH-UHFFFAOYSA-N 569.643 5.252 5 40 KKBB O=C(Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1)c1ccc(Cl)cc1Cl 112244259 FYMQZZUPKHMWEM-UHFFFAOYSA-N 574.446 5.117 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccccc1F 150440537 CMNMFGBVGKKWMH-UKWGHVSLSA-N 676.236 8.307 5 40 KKBB CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 205698906 DPWFWRDBZBNZQQ-LGJNPRDNSA-N 518.635 6.698 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 214432524 QPPAUQVSGLAINK-AWQFTUOYSA-N 532.361 6.334 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223827169 ZFUAWEGVSBYROJ-RBTNQOKQSA-N 649.597 5.531 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224178125 MZLQOINCHQNIDP-NDEPHWFRSA-N 671.216 5.935 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccccc3)cc2)cc1 224780632 AHOSQXCOPVHMMC-WDYNHAJCSA-N 549.681 7.109 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 224975564 QDGWREHLOIGNIB-DNQXCXABSA-N 506.971 6.089 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 229603891 OSHSCLJTDFLDGI-DZHULAFLSA-N 547.592 5.638 5 40 KKBB Cc1ccc2c(c1)N1[C@H](C(=O)c3ccccc3)[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]1C=C2 253487871 SETJNAPNEKCWEW-HEFUCBFLSA-N 555.590 5.759 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261016523 UPTWFIPZEVIZKF-JGCGQSQUSA-N 786.145 7.078 5 40 KKBB Cc1ccc(NC(=O)COc2ccc(Br)cc2CNc2cccc([N+](=O)[O-])c2)cc1Cl 408553876 BQLWBTOUFGQIOJ-UHFFFAOYSA-N 504.768 5.949 5 40 KKBB COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccc(Cl)cc1Cl 408557870 OJBIZHIZXZBZST-UHFFFAOYSA-N 510.355 5.272 5 40 KKBB CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408604029 CSNYYPPCFUOPOF-UHFFFAOYSA-N 526.214 7.254 5 40 KKBB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1[N+](=O)[O-] 408684304 ORHGXXNOJAVLPH-IBGZPJMESA-N 577.204 5.319 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1cccc2ccccc12 408840294 DEZMDTHFNXGOPX-WJSUKJBESA-N 665.771 7.358 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 409029416 AQIGFFVAQBMODQ-UQDCTOEPSA-N 622.099 5.717 5 40 KKBB O=C1S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1CCOc1ccc(F)cc1 409055437 YKVLSKVZRWVZKJ-XKZIYDEJSA-N 746.292 6.637 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409089545 JNDJBFZNJGZZJP-IVQFASICSA-N 657.586 6.275 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409091117 PKBJLEOQYADQQN-BIQRORRISA-N 510.977 6.289 5 40 KKBB CCOc1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1 409109859 MWBWKHBYFPDXQO-UHFFFAOYSA-N 536.220 6.710 5 40 KKBB O=C1OC(c2ccco2)=N/C1=C/c1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1 409195961 XLBVPVRIYHILSF-CXUHLZMHSA-N 562.126 5.277 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)c(C)c1 409374626 VIPDBGKUOGUPSE-FOKLQQMPSA-N 664.456 7.769 5 40 KKBB Cc1cc2nc3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n3c2cc1C 409391768 JQUMQRBZRCRQEV-FMCGGJTJSA-N 536.407 5.323 5 40 KKBB CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccccc3C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc21 3296472 XFGWWLIVXMLYLL-UHFFFAOYSA-N 555.974 6.403 5 40 KKBB COc1ccc(NC(=O)C2=C(Nc3ccccc3F)S[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2=N)cc1Cl 6304314 QMAKBCJREMZQDB-QHCPKHFHSA-N 586.001 5.441 5 40 KKBB Cc1cc(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)cc2)ccc1[N+](=O)[O-] 22830222 IYYYGSJZGRQECZ-UHFFFAOYSA-N 506.431 5.178 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(c1ccc(Br)cc1)=NN2c1ccccc1 33355242 WUEFIHAZPHIVLM-LJAQVGFWSA-N 598.482 6.896 5 40 KKBB Cc1nn(CC(=O)Nc2ccc3c(c2)nc2c4ccccc4c(-c4ccc(Cl)cc4)nn32)c(=O)c2ccccc12 50860275 FJNPGQJZAGBJDV-UHFFFAOYSA-N 545.002 6.013 5 40 KKBB CCOC(=O)c1c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n(-c2ccccc2)c2cc(Br)c(OC)cc12 97966089 KMZNMJBMSDYLFW-UHFFFAOYSA-N 593.478 5.809 5 40 KKBB O=c1c2cc([N+](=O)[O-])ccc2nc([C@H](Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1Cc1ccc([N+](=O)[O-])cc1 100362646 ZRQRWBKFHOGZIG-RUZDIDTESA-N 551.515 5.544 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)cc2[N+](=O)[O-])cc1 100368990 HUXBXZLEKLEZRS-AQHIEDMUSA-N 541.006 6.673 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccc(-c2ccccc2)cc1 100820907 XJBZZAVSPYAVOM-GXVXDJONSA-N 546.627 5.739 5 40 KKBB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1N1CCCCC1 102955516 GARCDSZCIFCRHE-UHFFFAOYSA-N 579.679 5.247 5 40 KKBB CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103332789 UTYYXHFWFQIORA-HATVSKDLSA-N 583.644 6.529 5 40 KKBB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)cc1 104086017 PGQABNHPLFZEOB-UHFFFAOYSA-N 598.125 5.310 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 105500037 GTGSBQHQDINRNB-QYIOYSLNSA-N 623.687 5.745 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1Cl 106683297 RYVGHFABNWWSPP-UUYOSTAYSA-N 559.825 6.826 5 40 KKBB O=C(Nc1cccc(S[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 150484459 JVBPPGPKQHUONO-WAWVYTBHSA-N 671.529 6.191 5 40 KKBB CC(C)Oc1cccc(C(=O)CN2CCC[C@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1 200049129 IVKFRDOJMJDKJU-GAQXSTBRSA-N 620.685 8.340 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)N1CCCCC1 205799210 MWWBEHJMWDHBCT-RGVLZGJSSA-N 614.396 6.217 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 214778922 PKPNGCZJSGDIGK-ZMOGYAJESA-N 559.427 7.116 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223805460 SNCOCXHJHQJOEK-IBVKSMDESA-N 552.469 5.455 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224600233 LMLAOTXRSKWNGF-YTTGMZPUSA-N 776.139 7.622 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 225084589 NRAVZGVOACBCHM-FIRIVFDPSA-N 591.649 6.444 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225590209 RUOJDCRBSDVKCT-SANMLTNESA-N 542.463 6.001 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 225636902 MVTARSYRXZLRON-WUFINQPMSA-N 541.633 5.868 5 40 KKBB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 225678684 UUKIQEWHIDCXAA-SXOMAYOGSA-N 543.605 5.260 5 40 KKBB O=C1[C@H]2[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1I 229886743 WCMTWYVEPIEPRK-ISJGIBHGSA-N 623.428 5.979 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 230030095 QLVSTNCGMUSMBH-DZHULAFLSA-N 547.592 5.638 5 40 KKBB CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 253376054 RWNXCLOGXUGYJO-MXMCVKMKSA-N 599.643 6.365 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 408565934 DIKJXGSZOZHNBQ-AREMUKBSSA-N 682.424 8.132 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1Cl 408569610 JUSJOMBRDVFFSU-XMMPIXPASA-N 528.993 6.066 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408644469 RLWHRXHRPQBFHM-QFPYXQTFSA-N 660.466 5.414 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408679894 FOIWNIONRFEUFD-SNINSWTHSA-N 669.088 5.507 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408825090 RHPLLZXQNIQYFW-LCQSEVKBSA-N 587.654 5.062 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408826221 KYZSVBWWCXSTFL-FUFNRSNVSA-N 696.551 5.586 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CCc1ccccc1 409008034 UYDXHNPRDSQXQA-HMAPJEAMSA-N 618.303 6.978 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)cc1 409040408 UCYZGVLSCZLZJK-FQKMCRJQSA-N 652.523 5.516 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409107503 WIAVLEIWIYQGRS-ADUBFANXSA-N 662.768 5.753 5 40 KKBB CCCN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)c2ccccc21 409125806 BBAUDRMSKPEHDN-BKUYFWCQSA-N 523.383 6.242 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)ccc1Cl 409194891 DXOYRROBRMOGBL-BRJLIKDPSA-N 626.043 5.688 5 40 KKBB COc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409196133 XFFXMJATGAQWIO-GRSHGNNSSA-N 513.289 5.474 5 40 KKBB CCOC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OCC)C1c1ccc(Cl)c([N+](=O)[O-])c1 2921147 FUSUOPYMMMZDNN-UHFFFAOYSA-N 505.354 5.395 5 40 KKBB O=[N+]([O-])c1ccc(COP(=O)(OCc2ccc([N+](=O)[O-])cc2)OCc2ccc([N+](=O)[O-])cc2)cc1 72400679 VFVYCNYEQFSMLG-UHFFFAOYSA-N 503.360 5.470 5 40 KKBB in-vitro C[C@@H](Nc1cc(N2CCN(C(=O)c3ccccc3Br)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100136178 ZQHCNAHTYQMQTP-HWWKNPRSSA-N 567.528 6.337 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cc([N+](=O)[O-])ccc1Cl 100310220 ODBZIUHWDKYQLH-UHFFFAOYSA-N 547.774 5.651 5 40 KKBB COc1ccccc1NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc(-c2ccccc2)c1C 100565545 PYYKXKNGLSUZDN-UHFFFAOYSA-N 521.982 6.798 5 40 KKBB O=P1(NCCC[N+]2(Cc3nc4ccccc4[nH]3)CCOCC2)C=C(c2ccccc2)OC(c2ccccc2)=C1 102135042 BLUIAWIVKZSNEN-UHFFFAOYSA-N 541.612 6.195 5 40 KKBB COc1ccc(CCn2c(-c3ccc(F)cc3)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1 102581365 QFGVUBOXHOLQTF-UHFFFAOYSA-N 521.342 5.323 5 40 KKBB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)c(C)n1Cc1ccccc1 103060269 BYWNUNGIWNWOKG-UHFFFAOYSA-N 565.670 6.560 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2s1 103765704 JNMBSOKSKPWJCF-UHFFFAOYSA-N 527.583 6.459 5 40 KKBB COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)c(Oc2cc(C[C@@H]3c4cc(OC)c(OC)cc4CC[N+]3(C)C)ccc2OC)cc1OC 150388075 XCLBDNOYLJKGLS-NOCHOARKSA-N 728.927 7.372 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 164552419 HJKLFTRYQNDIII-KMCFWPMWSA-N 805.501 6.956 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1Cl 214438280 IJZOFRUAHYQGQV-ZVBGSRNCSA-N 546.344 6.839 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1Cl 215148474 KIBMDIDBYVKLAH-ZVBGSRNCSA-N 529.889 6.324 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222873184 UWKQCAZBPQSVNR-HHHXNRCGSA-N 588.557 6.547 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224310478 HKZSXMCNYKQZRC-JGCGQSQUSA-N 711.212 6.066 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224476567 CPNXKEDEWVOUFH-YTTGMZPUSA-N 762.112 7.234 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(Br)s3)cc2)cc1 224761358 OYYFXWYVFYUIDF-GOTSBHOMSA-N 569.531 7.142 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225328835 PCQYSBDXXHJWPX-UMSFTDKQSA-N 721.276 6.625 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261099005 VROOWDATFPFDRH-SFRLIIPVSA-N 751.700 6.424 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Cl)cc1 408564758 FTZSNZBQWLIBQL-SQOVJYTMSA-N 512.393 5.403 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408565052 BBSDPSAAUBCATO-VWLOTQADSA-N 614.478 6.334 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 408565249 BLIVSPJFJIXXGY-AREMUKBSSA-N 597.535 7.043 5 40 KKBB Cc1ccccc1OC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Oc4ccccc4C)c3cc12 408720490 RFUDLZUZIMOSDX-UHFFFAOYSA-N 600.674 9.172 5 40 KKBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccccc2)cs1)C(c1ccccc1)c1ccccc1 408736502 CADPWVDYVCQBAU-MHZLTWQESA-N 562.651 6.216 5 40 KKBB O=C1c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408757709 PCEPZNFBCAKMMQ-UHFFFAOYSA-N 622.519 8.523 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)cc1 408835778 ZGLIYDRBNQFPQZ-ZJTZAHLKSA-N 725.561 5.207 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408851522 KWQISMMMZIOENO-SJXDCSIJSA-N 692.588 5.835 5 40 KKBB Cc1cc(N2C(=O)[C@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])cc1C 408918724 OESPQBOCVBWWBE-ZQFKLAOWSA-N 503.352 5.115 5 40 KKBB O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408994652 GZVHYFZMXKYCAW-UHFFFAOYSA-N 578.068 8.413 5 40 KKBB CCOc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)N(C)C2=S)cc1 409042630 XEDDPZDXPXFPES-UCQKPKSFSA-N 741.345 6.386 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409078156 GTZNIXKNNPVGHS-CCVBWGSMSA-N 668.522 5.136 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC 409093551 APNFIAHGQCKDIU-ZIRCPPMYSA-N 614.749 5.172 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409122789 BPDBVKFQIJJBNR-KOEQRZSOSA-N 597.487 7.004 5 40 KKBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n[nH]1 409159775 ULRFTQKCNRQKGC-SFHVURJKSA-N 556.954 5.243 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409160542 RBRCIZRSIDPNFR-ZVHZXABRSA-N 533.562 5.166 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl 409163823 YIHKSJSFZVWECF-VULFUBBASA-N 732.993 7.230 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409176767 XBMOUZQAMZMWDT-AREMUKBSSA-N 546.513 5.117 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 409178371 LMSXZGVAOBQEPF-UHFFFAOYSA-N 539.456 5.453 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409228455 AIPLDBIHOYJTEL-OEAKJJBVSA-N 579.407 5.030 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cc(C)cc(C)c4)C3=O)o2)c([N+](=O)[O-])c1 409275431 UMKBCDSGVULSST-WSDLNYQXSA-N 507.524 5.155 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 6280762 VBLFJLWNKYZALN-UHFFFAOYSA-N 524.400 5.644 5 40 KKBB CCOc1ccc(C(=O)[C@@H](CC[C@H](C[N+]2(C)CCCCCC2)C(=O)c2ccc(OCC)cc2)C[N+]2(C)CCCCCC2)cc1 6600747 RJRNNBYCWWOHJK-AQOUDTPCSA-N 606.892 7.603 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16429428 PVGUWCLIOYONSS-JXMROGBWSA-N 505.880 5.889 5 40 KKBB CC1(C)Cc2c(sc3c2c2nnc(SCc4ccccc4Cl)n2c2nnc(SCc4ccccc4Cl)n32)CO1 100156765 HGUWIMBDWJUBDL-UHFFFAOYSA-N 613.621 7.729 5 40 KKBB CC[C@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 100521602 BCZNXSTYRXQCQO-XCBLRWGCSA-N 506.558 5.701 5 40 KKBB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c(Cl)cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 101027893 JVKPCBRVLGBSSO-UHFFFAOYSA-N 543.985 5.487 5 40 KKBB COc1cccc(-n2c(S[C@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c3ccccc3)nc3ccccc3c2=O)c1 103088877 YGGOBMSENIBGNW-MHZLTWQESA-N 552.612 6.083 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c2=O)=N1 150393928 IXGLRVQTXHIXKJ-FUFNRSNVSA-N 682.549 5.526 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1 163994772 VZLQBXLTKZAAPD-VIBBIMNMSA-N 644.727 7.709 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 198311547 AJRFZHUXJADFGT-UHFFFAOYSA-N 675.141 5.209 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 215010997 SQQGJZWBYSBTPG-SSDVNMTOSA-N 575.477 6.559 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224878537 ZAVWUGJJLVGHJA-QGZVFWFLSA-N 538.497 6.001 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225567743 PCLHOXCTOAIJQH-AREMUKBSSA-N 542.463 6.001 5 40 KKBB O=C(O[C@H]1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 256079672 IJTANGJQVDVKFH-QXQUIYPHSA-N 689.761 7.450 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261029404 JDZHFVHOCBKRQK-GOXGLGGOSA-N 663.196 5.998 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc(F)c1 408565957 DKQYELAYZXBHSZ-QHCPKHFHSA-N 591.434 6.314 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1 408572679 RSYYWRTWJGXNBV-XMMPIXPASA-N 608.345 7.643 5 40 KKBB O=C(CCCCCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccccc1[N+](=O)[O-] 408648884 CQCAMBRRNJBHNA-ZHKRYAAZSA-N 593.463 5.792 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408732875 ABYBHBUBGGVNMR-ZJTZAHLKSA-N 741.947 6.485 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408830823 PXFBBCRIQXXDEI-UQDCTOEPSA-N 634.110 5.256 5 40 KKBB Cc1cccc(C2=N/C(=C/c3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 408842898 KHULWVRFVYVKCS-DEDYPNTBSA-N 507.296 5.229 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n21 408958731 WNGVMFNHJCMUHP-YRSDHNRQSA-N 666.550 5.743 5 40 KKBB Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc([C@H]4N[C@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1 408988465 DNHNCGYLNYRKNG-MBSDFSHPSA-N 552.659 5.705 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409043681 ZAEHIONBNSBISH-KEQCBNTKSA-N 713.404 5.811 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 409099510 NVTNTMWOFWIYHH-JDKSNUEYSA-N 716.197 5.461 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)N1Cc1ccccc1 409116005 LDLMSHBBZZHKMX-UUWRZZSWSA-N 555.634 7.535 5 40 KKBB Cc1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1C 409117985 RYROQCBZUOQALU-UHFFFAOYSA-N 520.221 6.928 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409133183 ZZTMWNHNRQUBHJ-OEAKJJBVSA-N 575.481 6.952 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409146183 KBIBVGRZBCMCDR-FSJBWODESA-N 561.454 6.562 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)c1ccc(Cl)cc1 409270015 NRGGDLAEMBAVPA-FMCGGJTJSA-N 587.835 6.509 5 40 KKBB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(Br)ccc12 6599791 ABMTZABKJPBKAN-UHFFFAOYSA-N 605.444 5.769 5 40 KKBB O=C(NC(=S)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1cc([N+](=O)[O-])ccc1Cl 8721690 BTWGWSLAVAMYDS-UHFFFAOYSA-N 502.943 5.262 5 40 KKBB CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@@H](CC(C)C)C(=O)OCc1ccc([N+](=O)[O-])cc1 70670189 AKLVTOVHAXAATO-IFSCQJKWSA-N 586.770 6.602 5 40 KKBB biogenic CC(C)c1nc2sc3c(ncn4c(SCc5ccc(Br)cc5)nnc34)c2c2c1CCCC2 97952193 KPHFJAYCRQOORS-UHFFFAOYSA-N 524.513 6.944 5 40 KKBB Cn1c(SCc2cc3c(cc2CSc2nnc(-c4ccc([N+](=O)[O-])cc4)n2C)OCO3)nnc1-c1ccc([N+](=O)[O-])cc1 100233929 IXXJUHJJBNXCFY-UHFFFAOYSA-N 618.657 5.407 5 40 KKBB Cc1cc(Oc2cc(NC(=O)CSc3nc4c(c(C(F)(F)F)n3)CCc3ccccc3-4)cc([N+](=O)[O-])c2)ccc1Cl 101230411 TWNOKLOYPAGWPU-UHFFFAOYSA-N 601.006 7.654 5 40 KKBB Cc1ccc(N2C(=O)[C@@H](c3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1C 102609690 XZAZIBRNSBYXEZ-SMCANUKXSA-N 593.481 7.699 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1cccc([N+](=O)[O-])c1)(N1CCOCC1)N(C1CC1)C(c1ccccc1F)=N2 102940554 OLGNZADTWOLGSO-HUESYALOSA-N 585.580 6.105 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 103531081 UHWKOJZFHIODKF-LWSSLDFYSA-N 534.355 5.174 5 40 KKBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C(N)=O)C1 105315783 LYBUQZKPLMVLDB-CYBMUJFWSA-N 526.640 5.293 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105320249 JUEQEXJOIHSVND-UHFFFAOYSA-N 573.403 6.408 5 40 KKBB Cc1ccc([P@](/C=C2\N(C)c3ccccc3C2(C)C)(=NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccc(Br)c(Br)c2)o1 150439584 UHIPSSRRVIPIFI-OJNUKUGJSA-N 735.391 8.500 5 40 KKBB O=C(Nc1cc2sc3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c2c2c(=O)c3ccccc3c(=O)c12)c1ccc2c3c(nsc13)-c1ccccc1C2=O 150471868 KXLZGMCEOJTBQP-UHFFFAOYSA-N 737.774 7.947 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215022936 YYUBCYWEJAOFBR-SRZZPIQSSA-N 638.721 7.589 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222935285 XSKQHCRNZHPZAX-NDEPHWFRSA-N 649.597 5.388 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223805451 SNCOCXHJHQJOEK-RXFWQSSRSA-N 552.469 5.455 5 40 KKBB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1-c1cccnc1 224767893 GVPSKWCRTABNGG-WDYNHAJCSA-N 564.696 6.812 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl 225256195 VGGPTIROIFOTRY-KAYWLYCHSA-N 594.049 5.674 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225332737 RPMIOSXLTZGSJP-UMSFTDKQSA-N 689.234 6.533 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260787035 LYEQDRJSLIENHT-LJQANCHMSA-N 700.041 6.399 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccccc1 408553517 AERUKIZDDHVKKV-UHFFFAOYSA-N 547.349 5.228 5 40 KKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1c[nH]c2ccccc12 408565668 CRTDMPRWEFOVPO-LJQANCHMSA-N 520.210 7.225 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1ccc(Cl)cc1 408569624 JXHBEHCHXPTHIT-QHCPKHFHSA-N 549.867 7.225 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 408571123 NRSOLFWXKUYLSL-SANMLTNESA-N 647.979 7.478 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 408573072 SKIQGGDNTZGAFE-RHLLLVCUSA-N 542.817 5.250 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1 408662342 XWWLLHYMKBFTRM-AJBRRXLCSA-N 683.698 6.008 5 40 KKBB CCCCCOC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)OCCCCC)c3cc12 408720720 XPRVYBXJVRLYGU-UHFFFAOYSA-N 560.694 8.811 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 408757509 YSTRRSPJVFXCLL-LLXISZFLSA-N 696.579 6.185 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408827774 MQJNGFYMORLEMY-MIUGUJGPSA-N 667.662 6.305 5 40 KKBB O=c1/c(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408832704 ZPYYYHFQSXCSOW-SELCLYCASA-N 823.450 7.015 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 408998843 QRKCBZZOJPALGU-GORIGYSASA-N 787.601 6.324 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 409042866 DDMNKKQEEJYFML-ZPMAPHDVSA-N 685.202 6.460 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)ccc1Cl 409163963 AJHZZWGRYXBUOO-AFUMVMLFSA-N 610.044 6.069 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409176078 YEUSLTFOTXZLPZ-YDZHTSKRSA-N 738.354 6.615 5 40 KKBB CCc1ccccc1N1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O 409178844 IWSNIVZZXGCHRE-NDEPHWFRSA-N 534.524 5.739 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O 409270118 FVXUOSVHDCCZBU-SSDVNMTOSA-N 525.970 6.108 5 40 KKBB COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 1067376 KPAZWRDOQPLQOY-UHFFFAOYSA-N 503.511 5.021 5 40 KKBB COc1ccc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1COc1ccc([N+](=O)[O-])c(C)c1 1792448 RAWZGESMSUPYKV-JGCGQSQUSA-N 549.627 6.786 5 40 KKBB biogenic O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1-c1cc(Br)ccc1Br 2276415 CVQZQXOVSIOROA-UHFFFAOYSA-N 501.134 5.486 5 40 KKBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccc(-c2ccc(I)cc2)o1 3089569 PDLIWIHKISWAHT-YVLHZVERSA-N 520.666 5.457 5 40 KKBB O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 8385916 FMPIIPDWKXSDJE-UHFFFAOYSA-N 578.068 8.413 5 40 KKBB CC(C)[C@H]1CC[C@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](C[N+](=O)[O-])c1ccc(N(C)C)cc1 8927190 VFILCUMPYXSAII-BRLSFAGNSA-N 550.721 8.218 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2 9348450 YBUCFPKCBIGDDT-LUZBKYPTSA-N 516.920 5.687 5 40 KKBB O=C(C[C@H](c1ccccc1)[C@@H](C(=O)c1ccccc1)[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1 33355114 QFFRUDKBZNZJIJ-WDJITTCOSA-N 554.646 8.304 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Br)cc3)CCC[C@H]2[C@H]1c1ccc(Br)cc1 96022723 ZOESZJOOIKSZAE-JWABDOFGSA-N 680.397 7.393 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O 100369233 HWLOJTYCPXPSAB-XKZIYDEJSA-N 556.021 6.083 5 40 KKBB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c(Cl)cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 101027897 DDPUDNFMCOZXEW-UHFFFAOYSA-N 527.986 5.786 5 40 KKBB O=C(c1ccccc1)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccco1 102527533 OMNFCTJKSGXYMP-LGGPFLRQSA-N 505.530 7.052 5 40 KKBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 105303855 DLMAPPXRHHKGMH-UHFFFAOYSA-N 539.828 5.652 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 105306063 WWBGQCMLXNIVOH-UHFFFAOYSA-N 543.649 6.644 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)c1 111468511 DWEONNKOQUNKDL-JLKMOJGBSA-N 606.660 5.359 5 40 KKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 112233617 SIQNSABQESYDBA-ZZXKWVIFSA-N 519.391 6.298 5 40 KKBB C[C@H]1N(C)c2cc(NC(=O)c3ccc(F)cc3)c([P@](=O)(Nc3ccc([N+](=O)[O-])cc3Br)N3CCOCC3)cc2C1(C)C 150682191 BMTFUVKAGQZJFL-SLDFVORKSA-N 660.481 6.127 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224869994 UHJBYIBGRRXMIV-MUUNZHRXSA-N 566.123 6.180 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225371711 PDNJXKSGCJVNSQ-GDLZYMKVSA-N 563.695 6.056 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1cccc2ccccc12 225716526 WSKQHBQUTQBXDV-LOYHVIPDSA-N 563.639 6.404 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260826249 YQEZGPAGBMNAIR-HSZRJFAPSA-N 640.734 5.112 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 408571664 PLPGVQYXZKJVGV-AREMUKBSSA-N 583.508 6.734 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 408647733 VLNLJBTUQSPEPV-ZCYQVOJMSA-N 636.444 5.702 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731446 MPMMKEBNCPCDDV-SANMLTNESA-N 517.538 5.290 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)S2)cc1 408777505 AVFTVTXXYLFKDG-VVNKCDPRSA-N 522.539 5.466 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)o1 408794688 ATVOQZLQQDXTLQ-YSCCPZIMSA-N 502.616 7.217 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5cccc([N+](=O)[O-])c5)c(OCC)c4)c(=O)n32)cc1OCC 408937535 GTTPIIOOWCJMRS-SXSMZTLPSA-N 785.613 5.306 5 40 KKBB CCOc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 409110836 AJSDBDUOSLGNIR-PSXMRANNSA-N 668.577 9.241 5 40 KKBB CCOc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 409125666 AKBXBUMBPKWHRA-BHVANESWSA-N 634.132 8.587 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409138530 DEUDTFAVUYNAOD-FQEVSTJZSA-N 551.456 5.371 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)ccc1Cl 409168191 LALZCZRVVDGILD-RPPGKUMJSA-N 718.966 6.840 5 40 KKBB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 409181870 GBGBHPRWGXVXOC-UHFFFAOYSA-N 567.381 7.068 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 409235743 QDPJXHOHPBQWFX-WSDLNYQXSA-N 771.327 6.067 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409269591 CXMNQOLQMLVTAU-FOKLQQMPSA-N 580.487 5.131 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 832732 LGNQBHJUSAEBFH-AGTZKDDFSA-N 558.546 5.031 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 1850696 AMOKDHJAHKRPCP-UHFFFAOYSA-N 502.600 5.415 5 40 KKBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21 6474595 TXALHGWIAPVKHL-UHFFFAOYSA-N 572.071 7.418 5 40 KKBB CCOc1c(Br)cc(Br)cc1CNCCNc1ccc([N+](=O)[O-])cc1Cl 16688071 PSTYYNVKKOBOOB-UHFFFAOYSA-N 507.610 5.374 5 40 KKBB Cc1ccc(-n2cc(-c3ccccc3)c3c(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)ncnc32)cc1Cl 16712803 KHXJHWINCFVULC-UHFFFAOYSA-N 525.012 6.284 5 40 KKBB O=C(c1cc(-c2ccccc2)nc2ccc(Br)cc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 20530284 YTMLKYLLHWHIGK-UHFFFAOYSA-N 517.383 5.535 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(-c2ccccc2)cc1 33499439 NVDSHFFURIPLHT-UHFFFAOYSA-N 529.666 5.089 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccccc6Cc6ccccc6)o5)nc34)c12 98046194 OJLDAPSGMLSZDD-UHFFFAOYSA-N 553.594 7.563 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 102280183 FZZQKFVPWOQBTK-OAHLLOKOSA-N 550.365 5.765 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)c3ccccc23)cc1 102628805 IQKFDJGBRXMTSY-UHFFFAOYSA-N 615.063 7.273 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccc(F)cc1 102744129 GUCSZVFFEVMVRB-DSITVLBTSA-N 533.899 5.698 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103552448 FCQOIALZWRCTEL-IEMSDXTESA-N 585.616 5.850 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 103828045 HLLZDKVIFZMOJV-PKYOQBLNSA-N 617.680 5.072 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150395696 PTJVGJKGLLHLTP-KUSDHMTMSA-N 637.670 5.121 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 163254290 MLQXPJWOULTMMF-NPNXEGEYSA-N 631.710 5.823 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214945218 WSSDTPQNGZCQAI-YDZHTSKRSA-N 555.406 6.181 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223070508 NCCDHCQEMCKCAY-HSZRJFAPSA-N 645.178 5.403 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223121045 VCPRMHPEOLJIFQ-QHCPKHFHSA-N 645.178 5.403 5 40 KKBB CC1=C(/C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1 254341021 OENHQHLEOONYIE-WQRUXFHQSA-N 536.888 12.606 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 261058123 NGHSDBMXKGUUJC-HRFSGMKKSA-N 635.570 5.222 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261060347 NOYSKQKFBGBICQ-UKJJDJLKSA-N 663.196 5.998 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 408572483 RHMGCDIRFXSGCG-ACUUJPJHSA-N 577.262 5.903 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 408574545 VDSAROKIWVSTTD-XMMPIXPASA-N 545.448 6.580 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408689242 XZFDNWBKZIBGIZ-WVZRZZCNSA-N 697.098 5.190 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408758622 NYFJJNDAMQEJQL-JBVGNYNVSA-N 677.735 5.440 5 40 KKBB O=c1/c(=C\c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408830423 MVJWAEOPDIIJRI-GEYGMGCISA-N 662.724 5.558 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC 408910007 VPXSGLIKPIEFHK-OGMUYLFESA-N 673.744 5.092 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OCC 408943855 MISXFVINTDDXFH-JNNIQXQOSA-N 738.613 5.464 5 40 KKBB COc1ccc(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c34)C2=O)cc1 408988067 CKJIAVIWQVENRB-UHFFFAOYSA-N 546.377 6.680 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409139385 DDAHSPPFVVBCKL-NNAGEYCMSA-N 634.743 5.340 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C 409169400 QFXXJERFFCQYSH-NHDPSOOVSA-N 511.943 5.800 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409170870 WXVZAWXFGLRXBL-ZVHZXABRSA-N 687.512 6.469 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 409183984 VOHAJHGUZPKWHG-UHFFFAOYSA-N 525.948 7.250 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409245301 QOWHTIXFPMWYMO-ZVHZXABRSA-N 689.484 5.861 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccccc1Br 409352788 ZHGNYGGTOJIZKN-OEAKJJBVSA-N 517.404 6.431 5 40 KKBB CCOc1cccc(N2C(=O)c3cc(Br)ccc3N[C@H]2c2cc([N+](=O)[O-])ccc2Cl)c1 2747352 ARDXMOWYIXIIND-OAQYLSRUSA-N 502.752 6.181 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@@H](C(C)(C)C)C[C@H]3[C@H]2C1=O 5957604 KJUKQSBCDHJAIR-CHMFPOLISA-N 501.583 5.918 5 40 KKBB O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8899203 OBTZTMMBLPDVPH-UHFFFAOYSA-N 513.337 5.799 5 40 KKBB CCCCCCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 12653600 MOEODFWKUODAKY-UHFFFAOYSA-N 517.583 5.224 5 40 KKBB C[C@H](CCc1ccccc1)Nc1cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] 100233237 JNCPFDQDRDNNBW-HXUWFJFHSA-N 573.513 5.301 5 40 KKBB O=[N+]([O-])c1ccccc1SN[C@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl 102580383 RVKMCRWPHAQOEH-ZDUSSCGKSA-N 530.684 5.637 5 40 KKBB CC(C)(C)c1ccc(C(=O)Oc2cn(CCc3ccccc3)c3nc(-c4ccc(C(C)(C)C)cc4)n4c5ccccc5nc4c23)cc1 102896696 WAAXITNYWRRNTE-UHFFFAOYSA-N 620.797 9.561 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Sc1ccc(Br)cc1 103005620 VFKDGOIIGZDKLJ-UHFFFAOYSA-N 533.347 6.328 5 40 KKBB O=[N+]([O-])c1cc([C@@H](Nc2ccccn2)n2nnc3ccccc32)ccc1Sc1nnc(Cc2ccccc2)n1-c1ccccc1 103763823 ADKAWDYNFPHBOF-YTTGMZPUSA-N 611.691 6.716 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(c1cc(Cl)ccc1Cl)=NN2c1ccccc1 104496900 INOIHWLCCHHXRG-GDLZYMKVSA-N 588.476 7.440 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl 105249231 FLJUSVDEOWUYFG-UHFFFAOYSA-N 534.838 6.190 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(-c2cccc(Cl)c2)o1 105586601 LLCYQFYEBCBOGZ-UHFFFAOYSA-N 554.072 5.335 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(I)cc1 106739383 VEVNMGDLRISZBC-QRVIBDJDSA-N 602.406 6.024 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccccc1Cl 106743219 KESDWALPTODVIE-XKZIYDEJSA-N 524.938 5.713 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 150385993 REXTYFYABSPSGJ-YDZHTSKRSA-N 661.430 6.322 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 211052101 YEWOKBQNKQRATD-NLRVBDNBSA-N 533.993 6.228 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 215007145 XXAHVWPOMNCKEX-FSJBWODESA-N 566.504 5.839 5 40 KKBB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C(C)C 224769934 LZNQUXJAIYGTPO-WUFINQPMSA-N 543.718 7.317 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224965949 FBCRPFQGPCSBDM-NDEPHWFRSA-N 549.668 5.666 5 40 KKBB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC 225309849 KRXIYALNMTYZKD-KAYWLYCHSA-N 559.604 5.020 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225600262 WTGLFRSUBUPOEQ-MHZLTWQESA-N 635.570 5.224 5 40 KKBB O=[N+]([O-])c1ccc(NCc2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1 408611519 SVCLDRPARAMUBH-UHFFFAOYSA-N 510.157 6.450 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c2=O)=N1 408784475 CKKDGCPEQCSAJL-UHAPOFRNSA-N 698.823 5.802 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408825873 JWNSQLGHYOJGPG-CRCYZHLCSA-N 821.431 5.803 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409069265 VJPXBIKZTQXPRB-AWQFTUOYSA-N 558.772 5.696 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1 409104365 YHUODQBRXLGLMW-MFISQUFLSA-N 659.790 5.565 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409168030 KRZRWPDRYGRHLP-DHRITJCHSA-N 615.586 7.096 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409196818 YATNVLXFNVZECO-JFLMPSFJSA-N 683.537 5.457 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)c1 409207748 ZCFCQTACYMBRGN-CIAFOILYSA-N 509.565 5.560 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)cc1Cl 409254928 JUYGNSHGHUDIGU-YSURURNPSA-N 662.902 6.282 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 409360518 PYKKCOUBQBLWRQ-LLVKDONJSA-N 557.847 5.388 5 40 KKBB COc1c(I)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1 409363684 MGRKWHOUGCLYNV-UHFFFAOYSA-N 504.280 5.039 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1 1848771 ZMEJURDBZINYGU-CQSZACIVSA-N 539.013 6.705 5 40 KKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(Br)cc2)cc1 2246966 PRHXJRLXVBSJQI-UHFFFAOYSA-N 510.395 5.711 5 40 KKBB CC1(C)C[C@@H](n2c(SCc3ccc([N+](=O)[O-])cc3)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1 6232547 LUWBBJRYDMGEHZ-QHCPKHFHSA-N 531.678 6.609 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1 6280068 LCHJDXQDHCDDEP-UHFFFAOYSA-N 514.394 6.189 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)SC(c1ccccc1)(c1ccccc1)c1ccccc12 8407536 VIWSIZIZEWGACL-GDLZYMKVSA-N 523.639 6.900 5 40 KKBB Cc1nn2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 9291913 FCAQWXFYQDXQHD-UHFFFAOYSA-N 510.019 6.295 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1Cl 16195815 FTFUFGWCAJMXII-UHFFFAOYSA-N 510.805 6.344 5 40 KKBB Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 100239248 AVGYFSCQMANWHE-INXMUBLWSA-N 543.620 5.146 5 40 KKBB COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1[N+](=O)[O-] 100847551 VRFCZMBYBZTJOT-ONUIUJJFSA-N 578.654 5.433 5 40 KKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1)Nc1cccc(Cl)c1 101140177 VIFRLUZFSRNVSR-UHFFFAOYSA-N 548.930 6.730 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(OC)c(OC)c3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 104658081 GUGNYCSJRVTZSH-KFOJKGMOSA-N 621.671 5.513 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306679 GLQSECGKRKGTEG-UHFFFAOYSA-N 572.430 5.673 5 40 KKBB O=C1[C@H]2[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Br)cc1 106013543 VQGSKWNCKIQRPO-ISJGIBHGSA-N 594.805 6.322 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccccc1 150391418 ITILIDMUKRIQRK-GBIJUZDQSA-N 656.514 5.866 5 40 KKBB Cc1c(C(=O)Oc2ccc(C(C)(C)c3ccc(OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4C)cc3)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 150409982 CYKUDNLURIHBBA-UHFFFAOYSA-N 644.549 6.701 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(O)cc3)cc2)cc1 224783152 GPNNUWYPXLFAPR-FQLXRVMXSA-N 565.680 6.814 5 40 KKBB COC(=O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224792787 VXIYMZPVPUPUGL-IHLOFXLRSA-N 607.717 6.895 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 225658639 IIZPLDIMZRHFSD-RRPNLBNLSA-N 527.606 5.560 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247335434 QLVSTNCGMUSMBH-VRNNKUELSA-N 547.592 5.638 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260867713 APECMRIRELJBLJ-OAQYLSRUSA-N 631.151 5.093 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccc(Br)cc1)[C@@H]1CCCN12 408566283 NKVDPPNHLGEYEW-UQBYDPJISA-N 534.410 5.083 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 408570930 MJSXPNOCXXOKPP-VWLOTQADSA-N 633.952 7.088 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccc(F)cc1 408575556 WMXPXRUWUXMVJD-HSZRJFAPSA-N 509.519 5.312 5 40 KKBB CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC 408576644 XXYVOVNLFUDYBA-SFHVURJKSA-N 527.828 5.509 5 40 KKBB COc1cc(CNc2ccc(Cl)cc2Cl)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408612460 WDFVHWLLIMRMIT-UHFFFAOYSA-N 613.157 7.938 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@@H]12 408719518 FMRLWFBDFREYPB-PSQNISHLSA-N 536.584 5.709 5 40 KKBB Cc1cc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc(C)c2C)C3=O)ccc1Br 408757651 OJTQRQCCYCLBRZ-UHFFFAOYSA-N 515.363 6.903 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408827646 FPDWNUQFLFKOIB-AFHVAHMMSA-N 638.407 5.816 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408828664 INCHMDQDJMJLPB-QARYAGPDSA-N 578.046 5.317 5 40 KKBB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2)c1 408920791 NBFAOIDMMAOYPG-NLRVBDNBSA-N 559.600 5.592 5 40 KKBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1[N+](=O)[O-] 409048038 QNSPGDUAQYIPOV-CTGRGZOBSA-N 660.682 6.709 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc24)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 409095358 HOXTZMWZLHBRPY-ZRBTUZGESA-N 706.821 6.151 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409149749 PJWIYYXZDHLHNG-PYCBVSLESA-N 657.818 6.168 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)cc1 409179704 RTLYIMQAWSBCOM-DHRITJCHSA-N 626.485 6.182 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)o1 409389929 RAXCGCSIEBFAFI-SRZZPIQSSA-N 573.377 5.552 5 40 KKBB O=C(COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 2772944 ZLUCEWPLNFSCIQ-UHFFFAOYSA-N 581.584 7.704 5 40 KKBB NS(=O)(=O)c1ccc(CCn2c(-c3cccc([N+](=O)[O-])c3)cs/c2=N\c2cccc(C(F)(F)F)c2)cc1 3668578 YZKMLXQQWQITJU-FAJYDZGRSA-N 548.568 5.266 5 40 KKBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)N1CCCc2ccccc21 12542212 WXAYTHGJPQYGCT-UHFFFAOYSA-N 512.513 6.024 5 40 KKBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 20438110 OJVUCUSAZYXOPY-UHFFFAOYSA-N 505.600 5.357 5 40 KKBB COc1ccc(N(C(=O)c2cc(Cl)ccc2Cl)C(=O)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 97945234 SRBBDMSHNNJFKK-UHFFFAOYSA-N 514.148 6.704 5 40 KKBB O=C(COc1ccc2ccccc2c1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 97971240 KVXLJZCGSZZNQV-ZQLWOZBISA-N 562.582 6.858 5 40 KKBB CCN(CC)c1ccc2c(c1)OC(=O)N(c1ccc(Cl)c(Cl)c1)[P@@]2(=Nc1ccc([N+](=O)[O-])cc1)N(CC)CC 97984291 HURZEOFNXQOCTO-KDXMTYKHSA-N 590.448 8.097 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N(C1CC1)C(c1ccccc1)=N2 102940413 OJXBNMYNKFORHV-RWYGWLOXSA-N 567.590 5.966 5 40 KKBB CC(C)c1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 103083529 VVXVKXPGFALADD-XLNRJJMWSA-N 535.600 6.939 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 106732303 DFHBIDICIILCPM-BKUYFWCQSA-N 605.444 5.370 5 40 KKBB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@@H]([N+](=O)[O-])[C@@]2(Cl)C1 118926240 IEVVBUBYACFXQB-BSMCXZHXSA-N 510.159 7.656 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OCc1ccccc1 150502843 JBOSKZTVUHWPBT-KFOJKGMOSA-N 680.580 6.577 5 40 KKBB O=C(NCc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(F)cc2)n1-c1ccc([N+](=O)[O-])cc1)c1cccs1 150508131 DFSWAOQNMHIHGJ-HSZRJFAPSA-N 647.739 5.838 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 163729412 NBBWLRRTVMMGET-SFKHYTNKSA-N 674.529 5.891 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 164185530 WOORCWUHOGNCOJ-NBQDTTAVSA-N 643.718 5.083 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1 164524526 LOVZBKQKAYLADF-KUSDHMTMSA-N 775.475 6.948 5 40 KKBB COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224793773 DGKQMSRIYOAOKV-XZWHSSHBSA-N 608.701 7.365 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225093393 PNIDSIBEPWSMNN-WJOKGBTCSA-N 683.614 6.262 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225604789 WLRHQYUWDSUVKD-IBGZPJMESA-N 686.014 6.009 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1cccc(F)c1)[C@H]1CCCN12 408563485 AMIPZIVFUINWHG-AWTIUKJOSA-N 552.400 5.222 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1cccc(F)c1 408566675 FYYVGCKHCKKLGJ-RUZDIDTESA-N 526.565 5.942 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 408570401 LJDLJEGMFMAUCK-RUZDIDTESA-N 601.498 6.874 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc(Cl)c1 408571076 NHEBOYJUIGRKRQ-DEOSSOPVSA-N 603.926 6.998 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408572602 RKXOVVLKHMQZFH-XMMPIXPASA-N 638.371 7.733 5 40 KKBB C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408648370 WHCVBEIXYJGSRV-JTQLQIEISA-N 793.444 7.223 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(Cl)cc1Cl 408687746 UUQGTTLQJHZROD-UHFFFAOYSA-N 813.862 7.488 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 408712383 UONKKNSIFYQVBZ-UHFFFAOYSA-N 524.382 5.129 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729057 CHDBQWJHJKSVLT-PRLWALMFSA-N 707.502 5.831 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408779167 AZASDYCPXSFXPL-PLNPHXOGSA-N 635.673 5.562 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1cccc2ccccc12 408917254 PWHKQAQOKIPNBA-JVWAILMASA-N 666.493 7.567 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408987431 OREHNPBETNXAOJ-QUNTYYFUSA-N 787.483 6.218 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409082806 SXLLINRXNQKBGX-GWRYVSOYSA-N 708.587 5.455 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 409082874 JWHQDRXLFJQXEL-GVMLUORFSA-N 637.095 5.419 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409163240 OAOILIZZBNXCTO-FMCGGJTJSA-N 619.471 5.679 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409177743 GXFGPZFMMWWPCD-UHFFFAOYSA-N 637.114 5.372 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 409179048 MQOASEUJWDBDNP-VWLOTQADSA-N 532.892 6.730 5 40 KKBB CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O 409197567 IVJVLOKGUWIOHU-SRZZPIQSSA-N 579.425 5.325 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O)Nc1cccc(F)c1 409246864 KIBSEWNQYHLVRO-UFFVCSGVSA-N 576.389 6.295 5 40 KKBB CCOC(=O)N(Cc1c(F)cccc1F)c1sc(-c2ccc([N+](=O)[O-])cc2)c(CN(C)C)c1C(=O)O 1911530883 WIZSPFRNLVKEOT-UHFFFAOYSA-N 519.526 5.524 5 40 KKBB NC(=O)C1CCN(C(=O)c2ccc3c(c2)nc(SCc2ccc(Cl)cc2)n2c4ccccc4nc32)CC1 2970649 NXGZGKLXVWXCFP-UHFFFAOYSA-N 530.053 5.319 5 40 KKBB COc1ccc2c(Cl)c(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)sc2c1Cl 12623373 YMRXCJLDANPXOF-QMMMGPOBSA-N 503.747 5.962 5 40 KKBB Cc1cccc(/N=c2\oc3ccc4ccccc4c3cc2C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)c(C)s2)c1C 97958879 WPDYMFFRLWJDMX-OVJIMOTJSA-N 569.730 8.998 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc2ccccc12 101176282 XPVKFGFAWTVPEG-DSITVLBTSA-N 534.355 6.106 5 40 KKBB O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 102996065 GLGGLBJGHHUJNU-UHFFFAOYSA-N 528.801 5.328 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@@H](OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)sc2c1CC[C@H](C)C2 103100784 YKOQWNOSOANRTO-FYSMJZIKSA-N 552.605 5.503 5 40 KKBB C[C@@H](CCN(C)CC[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1 103193094 XOEYANGOTQNOTN-RPWUZVMVSA-N 562.736 6.216 5 40 KKBB COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N23)c1 103550163 WPRUOCSKEYLTNL-XWJIURCXSA-N 571.589 5.460 5 40 KKBB CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@H]1[N+]1(C)CCCCC1 118912532 GVEAYVLWDAFXET-BGSSAPBFSA-N 572.875 6.111 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Cl)[C@H]1[C@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150389174 KSAWMTRQDBHJKO-PDAJONCFSA-N 753.162 10.352 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 163739231 DMWBLBLMQXLLLG-MXLMUYMQSA-N 666.668 5.569 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 163745644 MRWAYQKSJVOUOX-MHLAHEJPSA-N 746.845 7.993 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214620779 RERPQEKJPHMCOD-ZMOGYAJESA-N 558.534 7.350 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223787554 BPLSYKQOCUVPSZ-UVMFRMCBSA-N 751.700 6.424 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NC(=O)C(C)C 224115111 WBYLOTIJEPUNEF-SVBPBHIXSA-N 541.633 6.330 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224430950 WKVPYASKZJFYSN-HKBQPEDESA-N 646.741 5.484 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224579473 DYGNXINSOQXEQF-VWLOTQADSA-N 588.488 5.844 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225113109 ZBLSHGVNMUTDCV-BHVANESWSA-N 714.841 5.815 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 408567081 GINGXFXTOIUORA-HSZRJFAPSA-N 547.439 7.019 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1Cl 408573637 TZIVKSXSXBJBCO-RUZDIDTESA-N 525.030 6.235 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC 408758079 VBEJMKAGVCARCR-VGEDDRPUSA-N 787.632 6.436 5 40 KKBB Cc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(c4ccc(Cl)cc4)C(=O)[C@@]3(c3ccc(Cl)cc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])cc1C 408919457 YFCJXYAPQBMGKC-QFMXGDCESA-N 699.590 8.707 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409050652 YDGGKFVRQBQTRU-QEEORQGDSA-N 845.519 5.761 5 40 KKBB O=C(COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)Nc1ccccc1 409129932 VKXKJZPAYZDPIQ-PGUFJCEWSA-N 598.659 6.974 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409148634 ZAGHHPBJVZXRBA-OEAKJJBVSA-N 531.030 6.843 5 40 KKBB CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O 409207439 WZQYJVILQDXWEX-GRSHGNNSSA-N 506.989 5.635 5 40 KKBB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1cccc2ccccc12 409400335 OQXHRGYVLOSXPA-QRVIBDJDSA-N 571.542 5.198 5 40 KKBB O=C(c1cc2cc(Br)cc(Br)c2oc1=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 855078 WRSRNVXXLCMEAG-GOSISDBHSA-N 540.189 5.114 5 40 KKBB C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21 1566899 HDZAQYPYABGTCL-UHFFFAOYSA-N 502.746 8.240 5 40 KKBB world CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(=O)oc4ccc5ccccc5c34)n2C)c1 3298046 PTAVNMCDRNBBQY-UHFFFAOYSA-N 534.663 5.065 5 40 KKBB O=C(Nc1cc(Oc2ccc(Cl)cc2C2CCCCC2)cc([N+](=O)[O-])c1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 4179907 AOTNATRZOSZFBE-UHFFFAOYSA-N 642.059 9.131 5 40 KKBB COc1cc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)ccc1OCc1ccc(Cl)cc1 6289329 AABJPISVZAEYDC-UHFFFAOYSA-N 575.474 5.326 5 40 KKBB CCOc1cc(-c2cc(-c3ccc(Cl)cc3)c3c(ccc4ccccc43)n2)cc(Br)c1O 8856504 CGMBSRHFJVHWRO-UHFFFAOYSA-N 504.811 8.242 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2 9348447 YBUCFPKCBIGDDT-MFIPAATESA-N 516.920 5.687 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cc(Cl)ccc2Cl)cc1 14154765 WCBPQLKXAQTGOH-UHFFFAOYSA-N 508.383 5.352 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 22822439 GCVMUPQAXVQQRV-GOSISDBHSA-N 500.555 6.005 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3cc(-c4nc5ccccc5s4)ccc3Cl)cc2[N+](=O)[O-])CC1 57316140 ZEUDTKBVJDIKEL-UHFFFAOYSA-N 507.015 7.014 5 40 KKBB O=[N+]([O-])c1cc([N+](=O)[O-])c2c(Nc3ccc(Cl)c(Cl)c3)n(-c3ccc(Cl)c(Cl)c3)[n+]([O-])c2c1 100083562 YFTJBNJREIAYJV-UHFFFAOYSA-N 529.123 6.438 5 40 KKBB CCCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OC)c4)[C@@H]3C2=O)cc1 101673364 DUUSPZHFETZJQF-GSLIJJQTSA-N 612.433 5.302 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccccc1C 106726759 GCDJHJZESBFGON-OYKKKHCWSA-N 533.562 5.166 5 40 KKBB O=C(Nc1ccc(S[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 150399481 ROCOCVDUKNEPLD-DHGQXYFSSA-N 667.747 7.958 5 40 KKBB O=c1/c(=C/c2cc([N+](=O)[O-])cc(Br)c2O)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163215774 BYUIOKMRXAPUFT-IZBTWGKQSA-N 639.325 5.458 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 167678603 WJRMBHMPALGVQF-JOCHJYFZSA-N 565.681 5.188 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1Cl 205699803 LZJPJXUJTGQCOO-WSDLNYQXSA-N 636.851 6.677 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 208360681 ZTBLFMSNEGPBIG-CCLVUABDSA-N 625.659 5.137 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222483224 KPOSGIDQFWHNRC-SANMLTNESA-N 645.178 5.401 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224324268 HRAYYZFSGLBQLM-AREMUKBSSA-N 554.112 6.036 5 40 KKBB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1NC(=O)C(C)(C)C 225116122 QQBIQWIUZRASLU-NSOVKSMOSA-N 601.685 6.429 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225297580 NKEHHXAXPUZJQW-QFIPXVFZSA-N 552.455 5.545 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408564691 DPTRSPVAGUNNEY-PWBHZWRTSA-N 516.356 5.233 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408564890 GFWQCQPZUNNVOM-USCUKXROSA-N 568.457 6.026 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 408569082 ISWCSBUULWNXRS-DEOSSOPVSA-N 529.449 6.880 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1ccc(F)cc1 408572460 RFKWBRAQTQJIGY-HHHXNRCGSA-N 593.478 7.320 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc2ccccc12 408573646 TZYUAWCSBZWVQB-MUUNZHRXSA-N 619.541 7.498 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408648598 WUECBZODSQXYMA-SAPQRMKNSA-N 660.466 5.414 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 408785341 WNHPCCKIDJRJES-WGJPBTIMSA-N 714.569 6.324 5 40 KKBB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCC6)cc3[N+](=O)[O-])sc2c1 408988800 FYVLRLDTJVBFHC-QZTJIDSGSA-N 643.772 7.291 5 40 KKBB CC(C)N1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409062332 RZZRZTRKJGGCOF-MFOYZWKCSA-N 556.232 6.144 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409090555 REBJJCRFRDYCDQ-SWBDNCPRSA-N 678.836 6.633 5 40 KKBB CCOc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 409116675 JWQXORKZGYVRDM-UHFFFAOYSA-N 501.377 6.346 5 40 KKBB Cc1cccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c1C 409118528 QZBKPBOABFTEFB-UHFFFAOYSA-N 520.221 6.928 5 40 KKBB COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409181580 CYBNZOCXUYFLQL-UHFFFAOYSA-N 627.820 7.514 5 40 KKBB Cc1cccc(CN2C(=O)N/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)c1 409239493 NFIKEYGLQBXJMW-WSDLNYQXSA-N 601.251 6.100 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)o1 409274174 NHCKRJMTWUYJDE-ZVHZXABRSA-N 529.530 5.692 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(F)cc1 409275922 MZQKDINBBNJERB-CFRMEGHHSA-N 522.510 5.241 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cnn4c3N[C@@H](c3cccs3)C[C@H]4C(F)(F)F)cc([N+](=O)[O-])c2)cc1 1867698 AEIBMPISDLXFEC-GGAORHGYSA-N 573.553 6.956 5 40 KKBB Cc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CN2N=N[C@@H]4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)[C@@H]42)[C@@H]3c2ccc(C)cc2)cc1 8455511 MAJCDONOJJQSSW-HKDRGWIYSA-N 617.666 5.328 5 40 KKBB COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccccc1C(F)(F)F)CC2 11726274 MCXPSISGWWIFPM-JOCHJYFZSA-N 516.472 5.449 5 40 KKBB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14277560 MMYHEHZJUDJMKW-UHFFFAOYSA-N 513.406 7.031 5 40 KKBB O=[N+]([O-])c1cccc(Cn2nc(-c3cccc(Br)c3)cc2-c2cccc(Br)c2)c1 22837361 JEKKZAQYHWKZLV-UHFFFAOYSA-N 513.189 6.699 5 40 KKBB Cc1nc(-c2cc3cc(Br)ccc3oc2=O)cc2c1c(=O)oc1ccc(Br)cc12 100571091 UADBOTBQBNHOLG-UHFFFAOYSA-N 513.141 5.948 5 40 KKBB CCCCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 105307958 KSEBPNZHQZMPDD-UHFFFAOYSA-N 543.653 5.398 5 40 KKBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105311697 XFUPAEBSLYQVDE-UHFFFAOYSA-N 569.451 7.565 5 40 KKBB O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])o1 105319235 SGVHJKVHZNJQQC-UHFFFAOYSA-N 523.162 6.242 5 40 KKBB O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 150362852 VMAQFJFSBJWACY-IPAKXIGBSA-N 735.479 7.392 5 40 KKBB Cc1c(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)n2-c2ccc(F)cc2)cccc1[N+](=O)[O-] 150387933 QSFOIHGNNKKZLX-HHHXNRCGSA-N 673.727 6.224 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2CCc2ccccc2)sc2c1CCC2 150392639 XBBAUGZVYUTNPW-HXUWFJFHSA-N 662.794 5.514 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222883850 ZLJXANPWJHJATI-FQEVSTJZSA-N 649.141 5.232 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223857245 GYSZYGSCGBXMPJ-SIBVEZHUSA-N 542.463 5.999 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224350881 SSSOJSQYSNDWDO-RUZDIDTESA-N 554.043 5.190 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225264588 KPRVNXOMRLCJMH-WOJBJXKFSA-N 700.041 6.399 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225277019 GOSNHEXALCUAJU-DEOSSOPVSA-N 552.524 6.391 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 229992761 CZIWASWPOFICDG-CKPORNQBSA-N 576.008 6.230 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 248337422 PWVRXKYEONVPMP-YUAOJYLXSA-N 590.035 6.494 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 260972970 JOGQPAHPIXUBDT-MUUNZHRXSA-N 677.607 5.375 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408643792 GLRVSOCDYACZQK-INIZCTEOSA-N 529.332 5.473 5 40 KKBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408647792 VPHNOVLMKUOZCH-HZCFWTAGSA-N 682.127 5.290 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733792 RDKTYAGPVAKFQE-SZYVSPPHSA-N 664.523 6.842 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 408755357 KTPUGDPLDNTUQF-UHAPOFRNSA-N 601.684 5.815 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cccc(OCc6ccc([N+](=O)[O-])cc6)c5)c(=O)n42)c2ccccc2CC3)c1 408791521 ZPAPXYOUEHFMTR-UDHMSBBDSA-N 601.684 5.815 5 40 KKBB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 409035302 RZYGVHKYSKDCBE-BKUYFWCQSA-N 697.292 5.987 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036862 WMXWMYXFUUGPOC-IVRZUQNJSA-N 784.613 5.138 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 409105109 GIPQLPJJLUKIEJ-MFKUBSTISA-N 656.511 6.409 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1Cl 409154105 JSIWBYFCIYNJND-LSHDLFTRSA-N 612.960 5.410 5 40 KKBB Cc1ccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)n2)cc1[N+](=O)[O-] 409154569 KJZLHSMDBZZEIG-LJQANCHMSA-N 537.429 5.186 5 40 KKBB COc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2)cc1 409177571 CDRUSCYKBLNGPC-MHZLTWQESA-N 536.496 5.185 5 40 KKBB COCCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409245638 WVMKVGXTKLNZQY-WOJGMQOQSA-N 586.258 5.772 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)c1ccc(Cl)cc1 409273373 QGMWKPPLEXZXFM-KEBDBYFISA-N 503.319 6.081 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O 409381694 VNXAEZFQKJRXIT-LEWJYISDSA-N 628.434 5.415 5 40 KKBB O=C(Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 987771 JYPUMZOTTSSJIT-UHFFFAOYSA-N 521.415 5.158 5 40 KKBB CCOC(=O)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 1838680 HPOLSJRQBNAUEG-PMERELPUSA-N 597.635 7.061 5 40 KKBB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 2351888 YICNLHWKAYOZNJ-UHFFFAOYSA-N 515.378 6.036 5 40 KKBB CC(C)(C)c1cc(C(=O)NCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc(C(C)(C)C)c1 10000594 PINBAQUVPXRFAS-UHFFFAOYSA-N 518.610 6.455 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 96022731 ZXSCXSAJACHKSR-OMZIQHPLSA-N 612.599 5.685 5 40 KKBB Cc1ccc(-c2nc3ccc(Br)cc3c(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2C)cc1 97945269 DCSAJOJZIWUZQB-UHFFFAOYSA-N 519.351 6.229 5 40 KKBB CCOC(=O)N1C=CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1c1nccn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 100217449 CCPUPIGBQAXHQQ-HXUWFJFHSA-N 586.405 6.175 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 100306881 SUNWIDXPBPATGC-ZSJKCPIUSA-N 578.046 5.353 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2ccc(F)c(Cl)c2)=Nc2ccccc21 102444065 JPTHRKBBYWYOFR-MUUNZHRXSA-N 578.007 7.677 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 103515105 WCAMSUCLLGQXNT-OVDFTCDZSA-N 531.524 5.044 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163679487 IYFFRCDRWKCZPE-SUAMDDGLSA-N 668.953 5.701 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214434383 OXVFASPTVSVZLC-FOKLQQMPSA-N 545.400 6.726 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223457709 WTGTWANLYBOWGH-SANMLTNESA-N 635.570 5.819 5 40 KKBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223947976 OLKOWZBLIVQOFF-HXUWFJFHSA-N 633.554 5.573 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224828605 BNOLICXAMBFNRT-SANMLTNESA-N 714.068 6.647 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1OC 225195664 FJSCNEMLICZJLQ-SXOMAYOGSA-N 542.621 5.315 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225542361 MJMQIMLYGNXYIR-SANMLTNESA-N 552.469 5.456 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 248337237 PPCVFMUUBPASDY-WPQKMFINSA-N 561.619 5.903 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 260943851 DMSLMLGOEKSIGF-HHHXNRCGSA-N 649.597 5.531 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(F)cc1 408573109 SMTSMCPNTNZQSR-RUZDIDTESA-N 526.565 5.942 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc2ccccc12 408613691 ZJJYPCUBIJXUCP-UHFFFAOYSA-N 507.384 7.100 5 40 KKBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 408653891 QBRFIGUIZRUENV-PYCXMFPASA-N 608.434 6.131 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408660049 WHNVLGJEJBCPDV-DHIUTWEWSA-N 624.433 5.536 5 40 KKBB O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 408710458 IGNQIDVNBXYNBY-KNTRCKAVSA-N 575.537 5.768 5 40 KKBB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Nc5cccc(C)c5)c4cc23)c1 408720482 QYSWIJTUIIBEHP-UHFFFAOYSA-N 598.706 9.238 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729653 HOAZGZBRRUGNGX-RIFKOAFWSA-N 696.694 5.462 5 40 KKBB COc1cccc2c(/C=c3/sc4n(c3=O)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)c(-c3ccccc3)[nH]c12 408776365 ZLZKPGPUQHTYJD-HOQWGYMXSA-N 610.695 6.384 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 408823350 FANRRHUXDFNHRY-WYLTYJJASA-N 737.843 7.008 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408833585 TUJLHAZDJLQAFO-KAEGSSFASA-N 674.688 5.203 5 40 KKBB COc1ccc(C(=O)N=c2nc[nH]c3oc(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)c23)cc1[N+](=O)[O-] 408978004 XOSYUVQSBCEWSP-UHFFFAOYSA-N 542.551 6.815 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1 409084390 BMJWHCYOCSVEMG-JLHDDXNDSA-N 606.660 5.359 5 40 KKBB O=C(Nc1ccc(Cl)cc1Cl)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409091648 RBIDGNLFNMWQMV-UHFFFAOYSA-N 514.368 8.036 5 40 KKBB CCc1ccccc1N1C(=O)c2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2C1=O 409172426 HUOPZCREFSGBRG-UHFFFAOYSA-N 522.513 6.107 5 40 KKBB COc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc2ccccc2c1Br 14277361 MEGSDODQKDJZTE-UHFFFAOYSA-N 504.768 5.135 5 40 KKBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl 20610818 MOQYTVURNBFTMW-UHFFFAOYSA-N 506.950 5.233 5 40 KKBB COc1cc(Br)c(C[N+]2(CCOCC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)CCOCC2)cc1OC 100046907 DDHUTBKXLWCZCO-NNWRFLSQSA-N 511.521 5.292 5 40 KKBB in-man CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 100190007 HRKYLISZDIZMMX-MFCBUNOESA-N 592.073 5.743 5 40 KKBB Cc1ccccc1C(=O)CN1C(=O)[C@@H](NC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N=C(c2ccccc2)c2ccccc21 100947418 MTMHQWHDZWUUFN-GDLZYMKVSA-N 582.016 5.771 5 40 KKBB CC(C)(C)c1ccc2[nH]c3c(cc(NCCCN4CCN(c5ccccc5)CC4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 101755986 CGSZGOWIIIRPFK-UHFFFAOYSA-N 586.736 6.863 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 102956344 VPRGRGQLRLNGBU-IOGDKGLISA-N 540.834 7.992 5 40 KKBB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC[C@]5(C)[C@H]3CC[C@@]21C 119031879 FGAOHUMBQGSZQZ-GMWGBDKBSA-N 596.765 8.281 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224291450 FKBIGGPNMHMZDE-AREMUKBSSA-N 554.112 6.036 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)o2)c1 224656686 CLCXURXJMHDUGY-URLMMPGGSA-N 534.597 7.219 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)o1 224721770 OBMMEXLQXAYJPH-FIRIVFDPSA-N 578.650 7.536 5 40 KKBB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1OC 225307608 OODJZZGMWXRODE-IZLXSDGUSA-N 589.630 5.029 5 40 KKBB O=C1CS[C@H](c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 408554182 CECNUVKTZLWYGZ-JOCHJYFZSA-N 519.804 6.368 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408566229 NJKRJMDAHKLERR-HSWHJCFASA-N 554.430 5.636 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1F 408572768 RZPFLHNQCJWOIU-VWLOTQADSA-N 617.497 6.574 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408642461 DXCNAFMYZWRHHZ-DHIUTWEWSA-N 559.962 5.232 5 40 KKBB O=C(OCc1ccccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408666532 VBIOCTHXIPSXAG-BDRLMTCPSA-N 627.480 5.843 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)C(=O)[C@@H]23)cc1 408764321 TUCUXLUFYWZUPL-AGFOIJJQSA-N 738.796 8.468 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408850674 QPMUBAXZZFLBFT-SZYVSPPHSA-N 753.584 5.965 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c([N+](=O)[O-])cc1OCc1ccccc1 408928149 ZYZAAHXZHUHBBS-TZUCAZQYSA-N 645.759 5.405 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408990077 VELOZRXTXVEUNV-QYIOYSLNSA-N 856.920 7.443 5 40 KKBB CC(C)CNC(=O)COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409109378 CNLSCRORQJHJNC-MGBGTMOVSA-N 578.669 6.107 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 409226312 UUYXAJYOQWTRQU-KEBDBYFISA-N 531.905 5.331 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(I)cc1 409256282 KTKBHYOMLSTFLY-CFRMEGHHSA-N 630.416 5.706 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1[N+](=O)[O-] 4122548 SGTVPAHGGSGKRJ-UHFFFAOYSA-N 508.581 5.406 5 40 KKBB C[C@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 8385459 FPZBTYFOFVBFQI-KMRWNETISA-N 574.747 6.276 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 21305742 DNKCEVVTSHASND-UHFFFAOYSA-N 500.747 5.608 5 40 KKBB COc1cc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 97981635 YYRQDNDPHIHSRO-CSKARUKUSA-N 523.467 6.358 5 40 KKBB Cc1nn(-c2cccc(C(F)(F)F)c2)c2c1C(c1ccc(Sc3nncn3C)c([N+](=O)[O-])c1)c1c(C)nn(-c3cccc(C(F)(F)F)c3)c1O2 97982472 ZTGHTWGLYURWLO-UHFFFAOYSA-N 712.636 8.186 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 100341579 WCCAMAFKRQNVFZ-FSJBWODESA-N 528.945 6.211 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br 100526575 VMLXNVVIRRVPCK-UHFFFAOYSA-N 604.364 7.192 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 100955430 YSGYZPVBHGTOAG-USDTVRPUSA-N 611.079 6.004 5 40 KKBB COc1cc2nc(SCc3ccc([N+](=O)[O-])cc3)n3nc(CCn4c(C)nc5ccccc54)nc3c2cc1OC 101308266 DQVORACENWSLBX-UHFFFAOYSA-N 555.620 5.396 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6OC)o5)c(=O)n42)c2ccccc2CC3)c1 103891613 OPPXDQAAOSJDKC-NBQDTTAVSA-N 591.645 5.504 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 105311193 FBHAMIPKMDTXTF-XBXARRHUSA-N 541.210 6.451 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc(Cl)cc1Cl 106699653 UMMGCODCVPFJEC-MYKKPKGFSA-N 538.412 7.141 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224795343 SLZUNWRHSCXAMF-UMSFTDKQSA-N 654.789 5.797 5 40 KKBB Cc1c(N(Cc2ccc(C(=O)Nc3ccc4c5c(cccc35)CC4)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224864167 FFEZZASXYGDKBK-UHFFFAOYSA-N 515.591 5.374 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224959176 MUMMHZWSYXJWSM-SANMLTNESA-N 523.630 5.132 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225597845 OEEUYQQVQYPSSR-RBISFHTESA-N 645.178 5.483 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260939062 ZPJQIXOTLZUOCA-OAQYLSRUSA-N 665.596 5.603 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260952325 KBJLIHYRIHYFLU-RLWLMLJZSA-N 679.623 6.136 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261105380 XBYPZGLOCCNTEM-RTWAWAEBSA-N 710.047 5.855 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(F)cc1 408569090 ITOCQOQHJSQUMV-HHHXNRCGSA-N 536.629 6.419 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730870 UZQQYRKAIWZRIF-GSOQPGDSSA-N 689.338 5.197 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5c(ccc6ccccc56)C4=C[C@@H](c4ccc5c(c4)OCO5)[C@@H]3C2=O)c([N+](=O)[O-])c1 408733502 YPLJKYLMYNTFHP-AOLGVVFKSA-N 590.544 5.007 5 40 KKBB Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1 408750414 MNVGSMGCKCLVNT-UHFFFAOYSA-N 522.564 5.194 5 40 KKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccc(Cl)cc3Cl)sc2c1 408750558 OTCPECLKXMYQGD-UHFFFAOYSA-N 516.387 6.604 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408842144 MOTYGZVAEKNLKU-PLQXQRLBSA-N 582.009 5.148 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(Br)cc1 408995832 FDELSSNZMKRZFA-BIWBSIMWSA-N 634.508 5.048 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 409132989 PVAAHFQRYSPYDC-UHFFFAOYSA-N 543.907 5.110 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O 409176310 KDKFJAPGOJDPJE-UHFFFAOYSA-N 563.349 6.852 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccccc2Cl)OC1=O 409190958 CTGHWYVZDUDJHH-HCYZRJLASA-N 553.752 5.974 5 40 KKBB O=C(OC[C@H]1[C@H](COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1(Cl)Cl)c1ccc(Cl)c([N+](=O)[O-])c1 2665392 FGJGHSIDLZJXNM-RYUDHWBXSA-N 538.123 5.244 5 40 KKBB O=[N+]([O-])c1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1C1(c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)C(c2ccccc2)=N1 8383391 XFHXPLOUCUSXIL-UHFFFAOYSA-N 680.724 9.351 5 40 KKBB CC(=O)Nc1ccc(Oc2cc(NC(=O)c3nn4c(C(F)(F)F)cc(-c5cccs5)nc4c3Cl)cc([N+](=O)[O-])c2)cc1 8397984 QFCUOWMYTDPOCK-UHFFFAOYSA-N 616.965 7.041 5 40 KKBB O=C(NN1C(=O)c2cc(I)ccc2N[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1 8432039 JZQXANFVCKYOKS-HSZRJFAPSA-N 614.783 6.024 5 40 KKBB c12c3c4c5c1c1c6c7c2c2c8c3c3c9c4c4c%10c5c5c1c1c6c6c%11c%12c%13c%14c%15c%16c%17c%14c%14c%18c%13c%11c1c1c5c%10c5c(c%14c%10c%17c%11c%13c%16c%14c%16c%15c%12c%12c%16c(c2c7c%126)c2c8c3c(c%13c%142)c2c9c4c5c%10c%112)c%181 96068395 ATLMFJTZZPOKLC-UHFFFAOYSA-N 840.770 20.685 5 40 KKBB in-vitro COc1ccc(N2C(=O)C3=CCc4c5c6c7c(ccc6c6ccc(c3c46)C2=O)C(=O)N(c2ccc(OC)cc2)C(=O)[C@H]7C=C5)cc1 100053374 BIFLOXJWLXANKQ-NDEPHWFRSA-N 604.618 6.434 5 40 KKBB C[C@@H]1C[C@H](N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 100112860 LWLXBSZSSOASIX-WRHNGFHOSA-N 605.434 7.637 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 100352738 VQVOKINOJHJTMS-PRJPHZNJSA-N 598.995 5.638 5 40 KKBB Cc1nn(-c2ccccc2)c(O)c1C(c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1c(C)nn(-c2ccccc2)c1O 100617305 FZQMHBKIVGZDDW-UHFFFAOYSA-N 601.619 6.394 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 103558440 KAMVSGGANDFDTA-KIHHCIJBSA-N 567.907 5.540 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)cc1 150391879 FLGUOJCHWINKHA-OINPTKSXSA-N 642.089 5.766 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 225082356 GDDBAMKNTJZRLR-JSOSNVBQSA-N 590.665 5.975 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229867784 UBLRONAYKDNJFH-YQQRZDPSSA-N 555.590 5.759 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260846952 CIEACARCRYPRSO-MGBGTMOVSA-N 707.249 6.234 5 40 KKBB Cc1noc(/C=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)c1[N+](=O)[O-] 408543989 RGDATMKLKKXYTI-DAXSKMNVSA-N 512.129 6.305 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c1)[C@@H]1CCCN12 408568879 VCTDNYRZUARHSV-UQBYDPJISA-N 558.849 6.280 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1 408570959 MMOJAKSVGMHTES-DEOSSOPVSA-N 605.461 6.704 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 408639346 FPHGDYFNMMGBGY-UOKFIYJESA-N 638.460 5.782 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408644429 REOBTEOVEZJAKG-QKCPIRFBSA-N 686.546 5.935 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408686299 RJRDCUSFAKAFGJ-TUSFPTNYSA-N 669.088 5.507 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 408870959 WGCLAYNKDLPHBF-KSEXSDGBSA-N 696.454 6.647 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)c(OC)c1 408979227 QFYVYFDBEGDZEK-UHAPOFRNSA-N 662.724 5.378 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409039397 QWGLEABTJYOKOI-OCDQFKQQSA-N 708.189 5.743 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409093734 BIZRNBZAVNYLTJ-WOJGMQOQSA-N 507.362 5.391 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 409101235 SFRPFVJJIMUMGE-VXBWEVHPSA-N 697.820 5.521 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409102826 UIRHZAHAKCURDJ-CYGYJLBOSA-N 663.781 5.908 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409164925 PSKLIHAXDKMZQF-FMCGGJTJSA-N 618.045 5.008 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409189209 FTSXJIALNXOGFB-LPYMAVHISA-N 636.851 7.071 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 409190435 NFIDKKLEBZDHKY-VCLSCOGJSA-N 813.745 7.874 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409241150 JBJUKABNSQLIJE-CIAFOILYSA-N 660.275 5.239 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c1 409275640 KWTMWJSXMFWLSH-FSJBWODESA-N 548.533 5.587 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(Cl)cc3Cl)C2=O)o1 409399559 JXVQBARYAYESCF-WSVATBPTSA-N 580.764 5.607 5 40 KKBB CCCCCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)Nc1ccccc1-2 2743285 TVNCKHWMMOJNKG-HSZRJFAPSA-N 524.002 7.146 5 40 KKBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(Br)cc2Br)nc2cc([N+](=O)[O-])ccc21 6016700 LFZUKDIXAAELBR-UHFFFAOYSA-N 592.269 6.198 5 40 KKBB COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(N)c(C(=O)Nc4ccccc4[N+](=O)[O-])sc3n2)cc1 6157190 QJYRIALOFXZHFB-UHFFFAOYSA-N 526.574 6.390 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 8401375 LBPIKEOTYWIBMX-KEPJHFNWSA-N 683.661 5.925 5 40 KKBB O=[N+]([O-])c1ccc2c(c1)nc(SCc1csc(-c3ccccc3)n1)n2-c1cccc(C(F)(F)F)c1 12546518 FRYGXXBUVMUREE-UHFFFAOYSA-N 512.538 7.368 5 40 KKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 14275375 UQUCKBSMENTTDD-UHFFFAOYSA-N 514.588 6.567 5 40 KKBB COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nc(NC(=O)c4ccc([N+](=O)[O-])cc4)nn32)cc1 101002503 GAMHRDIDRRSYDO-JOCHJYFZSA-N 502.918 5.157 5 40 KKBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccc(Br)o1 101088473 DFEDSMMRBWAIEY-QGZVFWFLSA-N 524.121 5.250 5 40 KKBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccc([N+](=O)[O-])cc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 101155289 WHORAWYKUZATPJ-PKTNWEFCSA-N 549.539 5.174 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc([N+](=O)[O-])ccc6C)o5)c(=O)n42)c2ccccc2CC3)cc1OC 104658063 DKCQVDHNLFVUFM-FVUNBJOLSA-N 605.672 5.813 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 106683726 VBSBVFLNSALZTA-BKUYFWCQSA-N 560.993 5.261 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccccc1OC 108417917 KLYMVVZVIGMDOK-HDFSHUSISA-N 534.637 5.113 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 150363041 CUMLXZZKDSPGAI-KMCFWPMWSA-N 698.595 6.990 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1 163537548 SVQFVFWVVNVVLU-PSAPEEBNSA-N 666.643 5.683 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 214569223 UOQPMQKIQFLZAF-MFKUBSTISA-N 504.564 6.117 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223379112 VXTLHZSZPMBNNC-INIZCTEOSA-N 512.459 5.468 5 40 KKBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223904656 YJZBZVAUWUUHHG-MRXNPFEDSA-N 524.470 5.611 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224472329 BTZIVXUVJYRPTB-MHZLTWQESA-N 726.079 6.934 5 40 KKBB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1C 224767742 UPQALUGRDCZVHM-LOSJGSFVSA-N 501.637 5.965 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260875412 BEWJGTPWZWLINQ-UUWRZZSWSA-N 723.679 7.186 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 408564386 CMCHXCHQZOMPNL-LBEGXTCUSA-N 532.811 5.794 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)cc1 408565697 CUKGPFVAKRDQRO-VWLOTQADSA-N 508.575 5.803 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408577486 ZPTYHSHAOIUJAA-QHCPKHFHSA-N 618.441 6.083 5 40 KKBB CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408639827 GEDXZDQLBDDMRO-IBGZPJMESA-N 526.332 5.217 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c2=O)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729091 AMTIPCGAQHSNTB-JYKOFRAPSA-N 735.815 6.381 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(C)cc1 408754675 XACPMKLCEDBBCU-ZDGAQAAHSA-N 608.470 5.037 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409149406 FJBWUYZAOIEVBY-HRIDGTDGSA-N 669.188 5.994 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Oc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 409178571 MXALBEIGGTWFPS-UHFFFAOYSA-N 712.667 9.594 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)c1ccc(Br)cc1 409217544 DBPWDFKNEQWSOA-RGVLZGJSSA-N 513.325 5.537 5 40 KKBB O=C1c2cccc3cccc(c23)C(=O)N1CCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12 4256946 FFNZLXDTFLAGQA-UHFFFAOYSA-N 529.552 6.234 5 40 KKBB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nn12 10010304 DJPODFGTLRCSCE-JLHYYAGUSA-N 516.539 5.244 5 40 KKBB Cc1ccccc1-n1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc2ccccc2c1=O 12311723 AMLRSJIMTUUDOU-UHFFFAOYSA-N 514.485 5.352 5 40 KKBB COc1ccc(-c2nc(NC(=O)c3ccccc3Br)sc2-c2ccc([N+](=O)[O-])cc2)cc1 19894542 MNYKEGSAQKZAGW-UHFFFAOYSA-N 510.369 6.409 5 40 KKBB CC(C)Oc1ccc(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4ccc(Br)cc4[C@H]3C2)cc1 36352178 WKWUYGYTWGQGKR-NOZRDPDXSA-N 508.372 6.387 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=N2)C(N2CCN(c3ccc(F)cc3)CC2)=Nc2ccccc21 96022073 URYRAAZOMGDRHD-YTTGMZPUSA-N 647.114 7.387 5 40 KKBB Clc1ccc(CSc2nnc3c4sc5nc(-c6ccccc6)c6c(c5c4ncn23)CCC6)cc1Cl 97952631 IGQNECYNHREGDP-UHFFFAOYSA-N 534.497 7.642 5 40 KKBB COc1ccc2[nH]cc(/C=C/c3nc4ccc(I)cc4c(=O)n3-c3ccc([N+](=O)[O-])cc3)c2c1 100023886 WRMANIVVZHPRHK-BIIKFXOESA-N 564.339 5.559 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCc1ccccc1 102930413 SANRUDDVELAGGO-VHEBQXMUSA-N 603.660 6.220 5 40 KKBB C[C@@H]1N(C)c2cc(NC(=O)c3cccs3)c([P@@](=O)(Nc3ccccc3[N+](=O)[O-])N3CCOCC3)cc2C1(C)C 102941617 RMEATOQVOHWSIB-DCDFMGFMSA-N 569.624 5.287 5 40 KKBB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 103083539 CYFWYBBMERRGAZ-LCMCWVSWSA-N 545.595 7.238 5 40 KKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 103083616 VZPPHCMCJZDWCC-QJOMJCCJSA-N 568.585 7.637 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 111470267 ARYRYHJCGVNIHJ-LLXISZFLSA-N 619.699 6.227 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1 163253150 KDMGTSIJSRCJMO-KFOJKGMOSA-N 632.654 5.936 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 163658951 UJTIYSAYEYSHIV-CPOYULECSA-N 726.811 6.848 5 40 KKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(I)cc1 215231271 OEYQPQIUWPIFIH-VXLYETTFSA-N 566.760 6.349 5 40 KKBB COC(=O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 224793482 LNKMRMBBAWCETI-LOYHVIPDSA-N 608.701 7.365 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225020521 KLWQKKNYSNBFOZ-MUUNZHRXSA-N 671.216 6.017 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225240302 DAGVWNFSETVZPA-RUZDIDTESA-N 665.596 5.748 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225435393 BEILPVSPVPYRKK-NDEPHWFRSA-N 624.532 5.834 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225729566 PJEZLOREKCPZHN-HHHXNRCGSA-N 519.667 5.240 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260904802 FEECKZBVYZYRTH-HRFSGMKKSA-N 635.570 5.819 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261041555 KPCGVHHUNHNVOF-BNHRFMORSA-N 697.641 6.652 5 40 KKBB COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1 408526792 BFSAVVLMATUQPZ-UUWRZZSWSA-N 634.714 7.078 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc(Cl)c1 408577772 ZULPTHKRPKRWEQ-DEOSSOPVSA-N 603.926 6.998 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408638147 BZGGZSPYEYSEBQ-UHFFFAOYSA-N 882.066 7.882 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408734621 ZVLXEOACVICAPM-IZBTWGKQSA-N 628.888 5.382 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)o1 408794685 ATVOQZLQQDXTLQ-UHKUATGWSA-N 502.616 7.217 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(SC)cc1 408995039 KZJUUBCTPJRONI-JBVGNYNVSA-N 736.853 5.757 5 40 KKBB Cc1cccc(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c34)C2=O)c1 409002690 WGPDYEJQVTVXJU-UHFFFAOYSA-N 530.378 6.980 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 409030733 FKSPRNFOMDEKND-UQDCTOEPSA-N 587.654 5.062 5 40 KKBB CC1(C)OC(=O)C([C@@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c2c[nH]c3ccccc23)C(=O)O1 409112550 DWZLLOQZHSPASH-DEOSSOPVSA-N 500.507 5.239 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409177529 BPFSGPXNUCKFNE-ZCWBPALNSA-N 638.529 5.901 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cc(Cl)ccc4C)C3=O)o2)c([N+](=O)[O-])c1 409269255 AFVDFFVHJKNIQZ-SRZZPIQSSA-N 527.942 5.500 5 40 KKBB COc1ccc(C(OC[C@H]2O[C@@H](c3cc([N+](=O)[O-])c(NC(C)=O)nc3OCCc3ccc([N+](=O)[O-])cc3)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 585671960 JUYNRDATCNBBEO-UJTUJTOWSA-N 764.788 6.695 5 40 KKBB Clc1ccccc1-c1nc2ccc3c(-c4ccccc4Cl)nc4ccc5c(-c6ccccc6Cl)nc6ccc1c1c6c5c4c3c21 1776010777 GUFIJMCSRCQZRH-UHFFFAOYSA-N 634.953 12.065 5 40 KKBB CC(C)N(C(C)C)[P@@](=O)(O[P@](=O)(c1ccc([N+](=O)[O-])cc1)N(C(C)C)C(C)C)c1ccc([N+](=O)[O-])cc1 1555511 QYSOTSPLJXOLFZ-JXLNJXQWSA-N 554.521 6.094 5 40 KKBB CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)[C@H](C)Oc1cccc(Br)c1 1783227 MONNIYRPRXYKTK-ZDUSSCGKSA-N 519.373 5.669 5 40 KKBB COc1ccc(C(C)=O)cc1CSc1nc2cc(C(=O)NCc3ccco3)ccc2c2nc3ccccc3n12 2970624 DNETXGUVXPOZSS-UHFFFAOYSA-N 536.613 6.062 5 40 KKBB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 15982124 ZOLSUBBQPNKUSF-QHCPKHFHSA-N 518.923 5.769 5 40 KKBB Cc1ccc([P@](=Nc2ccc([N+](=O)[O-])cc2Br)(Oc2ccc(Br)cc2Br)C(C)(C)C)o1 97983425 KXMUSXHYYWYAKU-HKBQPEDESA-N 635.087 8.734 5 40 KKBB CCCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=Cc4ccccc4N2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)cc1 101026559 CMICDHUVEMGCEC-LAJGZZDBSA-N 537.572 5.046 5 40 KKBB CCOC(=O)c1c(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4C)[C@H]3c3ccc([N+](=O)[O-])cc3)C2=O)sc2c1CCCC2 102862078 GAKOOUXIFVPRHC-CCDWMCETSA-N 561.616 5.071 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106745934 LASKHJLHRJNYRX-MTJSOVHGSA-N 522.495 5.326 5 40 KKBB O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1c1ccc(S(=O)(=O)c2ccc(Nc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 150386846 NMWPULJTAKJAKD-UHFFFAOYSA-N 661.458 5.345 5 40 KKBB O=C(CSc1ccc(NC(=O)/C(=C\c2ccc(-c3ccccc3)o2)NC(=O)c2ccccc2)cc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 150428607 NXKUMUBCSLHUBJ-NJZRLIGZSA-N 701.786 8.119 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215011241 VCXRQEJHAINCFS-SRZZPIQSSA-N 522.451 5.440 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225134799 LLJUIYXZPLUGPW-LJAQVGFWSA-N 627.163 5.700 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225626336 NOOFQUANEOQGTG-QFQXNSOFSA-N 679.623 6.136 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260911575 FTYFIMRQJDEXEW-YADHBBJMSA-N 631.151 5.093 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1ccc(F)cc1 408567219 GUJQYOVKEKSVKW-HSZRJFAPSA-N 588.415 6.075 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408567719 QZFQBPAENLKNNS-YDOVEJIGSA-N 542.419 5.493 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 408572382 QZYPYELLDRUXMV-RUZDIDTESA-N 678.403 7.197 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1 408572638 ROGXYRVEFIAHIF-GDLZYMKVSA-N 649.567 7.588 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 408613006 WGMPUGSBCXIQJB-UHFFFAOYSA-N 581.794 5.881 5 40 KKBB CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408672131 ZOXKDTLZELVDKG-PLKBCFBZSA-N 579.436 5.256 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408831403 QKHRLFRZXQGONM-MFUBYVTQSA-N 801.819 7.006 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n32)cc1OCC 408938116 RTWMJVNGTDTZCR-FVMAXLJRSA-N 820.456 5.670 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409052772 ICHZMQMALCUMDK-XKZIYDEJSA-N 616.877 5.737 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1 409099540 OGOJMWZCNPLZMK-MTJSOVHGSA-N 572.393 5.691 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409131658 YOWBENBWVNSWTB-RGVLZGJSSA-N 537.388 5.018 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc45)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409141401 NRQSGIWQJXQTTQ-XDYZZPCYSA-N 698.595 6.510 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409162766 HLZMUERHJOXUGR-ZMOGYAJESA-N 705.552 6.574 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1 409173430 NASMHIXBVMOOLG-MGBGTMOVSA-N 541.559 7.274 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409190833 REIAGHYCIJUKAF-JLHDDXNDSA-N 747.255 5.807 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409211182 NAJZKDWEUWNVCZ-WSDLNYQXSA-N 636.851 7.071 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(-c3nc(O)c4ccccc4n3)cc2Br)cc1 409254151 DHIVLMCMOJWSSP-UHFFFAOYSA-N 531.160 6.015 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409262589 IZRMWFNCPJESQS-JJFYIABZSA-N 699.401 6.694 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 409337755 UQRIBFGSBQCWSX-UHFFFAOYSA-N 522.520 5.214 5 40 KKBB CCc1ccc(C2=NN(c3ccccc3)[C@@]3(SC(C(C)=O)=NN3c3ccccc3[N+](=O)[O-])c3ccccc32)cc1 8442576 LYAGCMSDBQOZDY-HKBQPEDESA-N 547.640 6.696 5 40 KKBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 9349624 XROAXZMEDVJKCF-NJDAHSKKSA-N 502.285 5.092 5 40 KKBB Cc1cc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 32115519 ROFFBSIEGIFBPE-FMIVXFBMSA-N 500.536 5.428 5 40 KKBB CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cc(Br)c(Br)s1 97947957 XVCOJFXBXMRZQF-UHFFFAOYSA-N 547.254 5.191 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 97971217 BKOYERJOPBZSCY-OBHVEFGISA-N 534.663 5.991 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](c3ccc(Cl)cc3)[C@H]2C1 102928536 NBKGSHHTNLCTFW-KVMBAODRSA-N 565.413 7.493 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccccc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1 104656679 WDRGEDKNFZOMLW-UNDLXJOSSA-N 561.619 5.496 5 40 KKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105313787 SOLLQYRDCPVYAM-UHFFFAOYSA-N 543.653 5.488 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 106681946 JKJYYLFSQCBVNA-XKZIYDEJSA-N 525.380 6.173 5 40 KKBB CCOc1cc([N+](=O)[O-])c(C(c2c(C)nn(-c3ccccc3)c2O)c2c(C)nn(-c3ccccc3)c2O)cc1OC 108423449 HKSHTOWEUKGHBY-UHFFFAOYSA-N 555.591 5.582 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224847404 NEQMJKDVIGTODB-JOCHJYFZSA-N 526.486 5.714 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225093288 XHQVEFDGYNCVHE-WJOKGBTCSA-N 683.614 6.262 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225608556 ZLQVDJSVGQRYKH-PMERELPUSA-N 699.613 5.800 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408567818 RMOPCJFNFZEDKC-CCXQXCJASA-N 621.315 6.256 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)c(Br)cc1OC 408570263 KPOZNNVVMJDVQR-HXUWFJFHSA-N 507.410 5.164 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 408613053 WYHDVMBYEZWEIE-UHFFFAOYSA-N 504.370 6.238 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408648594 WUECBZODSQXYMA-QFPYXQTFSA-N 660.466 5.414 5 40 KKBB Cc1ccc(OC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Oc5ccc(C)cc5)c4cc23)cc1 408720415 OASAJIHATOLUFS-UHFFFAOYSA-N 600.674 9.172 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408834898 WFBHESVWVIAPPG-LCQSEVKBSA-N 648.535 5.356 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408837633 KFEXUCVIIAAYQE-XGHXRCDJSA-N 660.852 5.064 5 40 KKBB O=c1/c(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408847209 UEWCSOSVXBOVTM-ISZRBDKASA-N 616.655 5.714 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409042978 MBUAWBWWLBNWRL-ACNFRRSXSA-N 816.683 6.152 5 40 KKBB CCn1c(SCC(=O)Nc2cc(C)c(C)cc2Br)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409137921 YOLWNFAZDQJGKV-QFIPXVFZSA-N 589.516 5.443 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409155208 CNVQXFBVAUDAOX-BKUYFWCQSA-N 605.444 5.370 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409174411 SJRBRITWZPXBLO-UHFFFAOYSA-N 714.005 6.507 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409217707 FPQVTCZPHMHBTG-UUYOSTAYSA-N 584.404 5.863 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409241522 OCLWNEQAKSFXSU-WSDLNYQXSA-N 589.851 6.835 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2c(-c3ccc(C)cc3)n[nH]c2O)c2c3ccccc3cc3ccccc23)cc1 409370630 CJDDVNXGTDXIAY-UHFFFAOYSA-N 536.635 7.981 5 40 KKBB Cc1nc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)sc1C 1314348 YDFWGPAESQXZIW-SFHVURJKSA-N 512.341 5.287 5 40 KKBB O=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4125296 YCUNVNYGMPRFAX-UHFFFAOYSA-N 529.424 6.114 5 40 KKBB CCCCOc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccc(C(C)=O)cc2)cc1 15944897 SUYCSZNFHHCYKF-NLRVBDNBSA-N 501.539 5.386 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1[N+](=O)[O-] 16693016 YFNXZKYFLGEQGY-UHFFFAOYSA-N 512.547 6.082 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)c(C)c1 59331868 AWOAOWFMJNCAQG-UHFFFAOYSA-N 527.629 5.644 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F 97949277 YDWSGPVEJKCFPS-NHCUHLMSSA-N 715.708 8.675 5 40 KKBB COc1ccc(C(=O)c2c(-c3ccc(OC)cc3)c3c4cc(OC)c(OC)cc4c(C)cc3c3cc(OC)c(OC)cc23)cc1 102895948 ZEHCRJLNEHEDLM-UHFFFAOYSA-N 602.683 8.404 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)c1 111468515 DWEONNKOQUNKDL-UNDLXJOSSA-N 606.660 5.359 5 40 KKBB O=[N+]([O-])c1ccc(Sc2cccc(S(=O)(=O)c3cccc(Sc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c2)c([N+](=O)[O-])c1 150401180 MJUOQJSRKOQTBX-UHFFFAOYSA-N 614.595 6.455 5 40 KKBB Cc1cccc(-n2c(CNC(=O)c3ccc([N+](=O)[O-])cc3)nnc2SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(F)cc2)c1 150411072 WWXPBZFCFHCIIX-HHHXNRCGSA-N 655.737 6.085 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc(Br)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1 163246623 LDQWLRZIKOETTC-OBDCIHEFSA-N 640.515 6.258 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223862586 QAHDVQYMKKMWHI-NRUKRWIHSA-N 697.641 6.652 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225277056 GOSNHEXALCUAJU-XMMPIXPASA-N 552.524 6.391 5 40 KKBB COc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 248117985 CHZRWCNJNSGYPL-IDFSYQMWSA-N 571.589 5.585 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260939340 NITXRHOMFOKIRU-MGBGTMOVSA-N 725.239 6.312 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 408564145 RZANIHSELDVKLM-UHFFFAOYSA-N 500.747 5.608 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F 408570635 LQPQVGBATGHDJX-QHCPKHFHSA-N 563.438 6.719 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 408570862 MAUJEYUBKQCZKH-MHZLTWQESA-N 569.083 6.716 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1C 408572376 QZMCDGQYXUVJGL-XMMPIXPASA-N 561.466 7.328 5 40 KKBB O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408647191 BHVSQRLDWALTDL-BDRLMTCPSA-N 661.925 6.496 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccccc1 408648338 WEXYTZQRBCCOAC-WVZRZZCNSA-N 652.101 5.282 5 40 KKBB Cc1nn(-c2ccccc2)c(O)c1C(c1c(C)nn(-c2ccccc2)c1O)[C@H]1C=CC=C(OC(=O)c2ccc([N+](=O)[O-])cc2)C1 408737381 NMBWZBNULBTCGG-DEOSSOPVSA-N 603.635 6.443 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)S2)cc1 408783812 RIPWUVQCWSUCBT-CBYYHRJHSA-N 587.439 5.940 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408831914 PTTSJKGSFBAHHR-PNZYDNNZSA-N 722.923 6.244 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)c(=O)n2[C@H]1c1ccccc1OC(C)C 408935629 GGAQWDWMAKCGSQ-ZMTYCLHQSA-N 722.614 5.844 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408995574 BEOSFACOBMPZLM-TVRVIFGSSA-N 799.656 7.439 5 40 KKBB O=C1N/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1C1CCCCC1 409078494 IAOLXVOLZJHEJZ-NDENLUEZSA-N 579.245 5.924 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(Cl)cc2Cl)N1Cc1ccccc1 409110424 BWXDXTDHUZHAQS-MHZLTWQESA-N 518.400 7.263 5 40 KKBB O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409179226 LALVNBZEUMEVBA-UHFFFAOYSA-N 551.580 7.120 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409195797 LAGSWYIUDBXCTP-XKZIYDEJSA-N 534.550 5.164 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc(F)c(Cl)c1 409220065 TZJOKVNQQUCSMA-TVPGTPATSA-N 504.710 5.369 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409341174 DDOBSVSKVPBAAZ-JBDHCHCMSA-N 725.561 5.207 5 40 KKBB COc1cc(NC(=O)CCc2ccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c(OC)cc1Cl 2070195 BGWFIHSMAAMMJU-UHFFFAOYSA-N 501.879 5.537 5 40 KKBB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10041712 BKJPSGUKHLKUJN-LJAQVGFWSA-N 508.530 5.010 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 12524403 HXVRMIWYMBDCEM-OQMCZVHSSA-N 522.605 5.868 5 40 KKBB Cc1ccccc1-n1cc(-c2ccc([N+](=O)[O-])cc2)nc1SCC(=O)c1ccc(Br)cc1 26441743 PZNBZSNEUQPABR-UHFFFAOYSA-N 508.397 6.493 5 40 KKBB COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccc6oc7c(c6c5)CCCC7)cc([N+](=O)[O-])c4)cc3n2)cc1 97999635 UGGVSFPXHWDEMP-UHFFFAOYSA-N 643.578 8.002 5 40 KKBB C[C@@H](Nc1cc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100310510 WQQXAWDFKNFVOZ-VNTGEEESSA-N 583.560 7.280 5 40 KKBB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@]1([C@H]2C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)N=C1C 100998678 YRGNNBWEALFYLI-WAINPOFTSA-N 625.645 5.410 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 105306338 JJWZSEJUSBRXGX-UHFFFAOYSA-N 566.039 5.637 5 40 KKBB CCOC(=O)[C@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])c(C)c2c1Nc1c(c(C)c3oc(=O)c(C)nc3c1C(=O)N[C@@H](CC(C)C)C(=O)OCC)O2 150382657 XOGADTAGGCEDNQ-VXKWHMMOSA-N 709.753 5.286 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223272889 KFOMJQMRECYROD-RUZDIDTESA-N 526.058 5.258 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223543067 LFDXZBCMFLMHMV-NRFANRHFSA-N 526.486 5.857 5 40 KKBB COC(=O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 224793526 LNKMRMBBAWCETI-IHLOFXLRSA-N 608.701 7.365 5 40 KKBB COc1ccc(C[C@@H]2C[N@+](C)(CCC(=O)OCCCCCOC(=O)CC[N@@+]3(C)CCc4cc(OC)c(OC)cc4[C@@H]3Cc3ccc(OC)c(OC)c3)Cc3cc(OC)c(OC)cc32)cc1OC 252286800 KVURKGMRRKDFPC-OHGCIVRSSA-N 929.161 8.066 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc(C)cc2)=C1c1ccc(C)cc1 253575578 UTZPLZWFWNCZFX-YSSMVSIISA-N 660.726 7.409 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 408564384 CMCHXCHQZOMPNL-KIHBTMOLSA-N 532.811 5.794 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 408568631 IDMALYQQRFNFBI-JOCHJYFZSA-N 584.312 7.878 5 40 KKBB CCOc1cc(CNc2ccc(Br)cc2C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408605306 GBGRTXWQMDQCJV-UHFFFAOYSA-N 628.217 6.982 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408772399 OTGWIURNLJBZBJ-SUAMDDGLSA-N 759.498 6.532 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)S2)cc1 408779003 OTHBPLGKRRBQIE-RSCAPRFBSA-N 534.819 6.433 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n21 408944513 MSFRFWHMXJHPEP-QUNTYYFUSA-N 678.561 5.445 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O)N1CCN(c2ccccc2)CC1 409011436 GNYZPQWJAAAGRW-YZSQISJMSA-N 637.512 5.321 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(COc2ccc(Br)cc2)cc1 409176839 ZBUQRECFDLISCY-UHFFFAOYSA-N 534.362 7.086 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 409190647 UKLSISCPRATZOO-UNDLXJOSSA-N 747.324 6.900 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409219289 KYKSYLUPDBQRFS-FSJBWODESA-N 535.490 5.223 5 40 KKBB O=C(Oc1ccc2c(=O)c(-c3cccc4ccccc34)c(C(F)(F)F)oc2c1)c1ccc([N+](=O)[O-])cc1 1770087 SURNIDXAEREZPK-UHFFFAOYSA-N 505.404 6.759 5 40 KKBB COc1ccc(/C=C/c2nc(Nc3ccccc3)nc(Nc3ccccc3)c2[N+](=O)[O-])cc1Br 16226537 YCVSUTNTEWEBQP-WYMLVPIESA-N 518.371 6.814 5 40 KKBB COc1cccc(C2=NN(c3nc(-c4ccccc4)c4cc(C)ccc4n3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 89657540 KHSJYYWJTGKMDH-LJAQVGFWSA-N 515.573 6.878 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@@H](c2cc([N+](=O)[O-])ccc2OC(F)F)NC(=O)N(Cc2ccccc2)[C@@]1(O)C(F)(F)F 97984696 MVACBLJAGZFVNS-YYDVJCTNSA-N 571.480 5.274 5 40 KKBB O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1c1ccc([N+](=O)[O-])cc1 97994390 AVSIRAVBEGUOSU-UHFFFAOYSA-N 583.812 5.445 5 40 KKBB COc1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])c(Nc3ccc(/C=C/c4ccccc4)cc3)c([N+](=O)[O-])c2)c1 100065602 RHDZEXIJSNPJOI-CMDGGOBGSA-N 540.532 6.687 5 40 KKBB COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 100556842 BILQLVQQWSOCBH-UHFFFAOYSA-N 528.926 5.125 5 40 KKBB COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccc5ccccc5c4)cc2)C3=O)cc1[N+](=O)[O-] 139121581 FLGAYBOLYQARDL-UHFFFAOYSA-N 602.555 6.389 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2-c2cc(C)ccc2C)sc2c1CCC2 150390239 OJCKOEAODDMVHE-UHFFFAOYSA-N 648.767 5.488 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215015627 SAORQVJTPGEMQU-UFFVCSGVSA-N 624.347 7.313 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224289700 FZCFLIFKCOSRER-AREMUKBSSA-N 523.630 5.133 5 40 KKBB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224781034 ANWQGRCRGSZTRO-IHLOFXLRSA-N 563.708 7.417 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261093501 UPLWZZVITXUMJT-UKJJDJLKSA-N 663.196 5.998 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1 408569594 JTROUQZWFNGDIJ-RUZDIDTESA-N 583.508 6.734 5 40 KKBB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408673363 WRNCWMWMWSBTHY-OJGFGIBBSA-N 627.653 5.567 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5ccc6ccccc6c5C4=C[C@H](c4ccccc4)[C@@H]3C2=O)c([N+](=O)[O-])c1 408729286 AUQOFQBWYHQPJG-UQMGHXSLSA-N 546.535 5.278 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408835048 WRMXLZQAPNWSGJ-UAMLYEQYSA-N 739.588 5.677 5 40 KKBB COc1ccc(-c2sc(NC(=O)c3cc(OC)c(OC)c(OC)c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408835509 XKKPXYQOTIWEEC-UHFFFAOYSA-N 521.551 5.672 5 40 KKBB O=C1OC(Cc2ccccc2)=N/C1=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408845145 OYWIKGYFMZVRSF-CPNJWEJPSA-N 518.934 6.221 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409146194 SAHLSVLFFNZLME-HXUWFJFHSA-N 551.456 5.371 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 409178852 NRMHHBQYVDQDDE-LJAQVGFWSA-N 557.389 7.898 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 409182439 KWFZZJGWTYEUBB-AREMUKBSSA-N 540.915 5.830 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)Nc1ccccc1Cl 409235198 YWFGKSDMECGHBT-WSDLNYQXSA-N 649.850 6.107 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 100358589 MCKMCNRIGRXLAQ-UHFFFAOYSA-N 598.578 6.676 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 102628817 DAPOXSPVGSUYSZ-UHFFFAOYSA-N 565.003 6.120 5 40 KKBB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305726 FNYUWHRFMQCIOJ-UHFFFAOYSA-N 531.663 6.297 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCCSc1cccc2ccccc12 106740893 OQKBEQUTDBEJJU-VEILYXNESA-N 572.664 7.164 5 40 KKBB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 112233574 WDONORLXOWVDNI-RMKNXTFCSA-N 519.391 6.298 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112244221 OTABEUKCRUITPN-UHFFFAOYSA-N 582.436 5.129 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222608746 OAIFQCPDWKPAQM-XIFFEERXSA-N 741.694 6.826 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222826936 VRGZAXKYHLYQRN-SANMLTNESA-N 661.177 5.101 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223269462 XNJMBJQLMWTBLH-XYFQYJLHSA-N 628.751 5.345 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223323042 DLZDQVWKZAYJGI-SANMLTNESA-N 601.125 5.166 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccccc3F)cc2)cc1 224781697 IAUSDQDYRKQFEI-URLMMPGGSA-N 567.671 7.248 5 40 KKBB COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224792493 JOWKYAVLOOVXFN-KYJUHHDHSA-N 607.717 6.895 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261103465 WRXORGKFSUKCRO-UUWRZZSWSA-N 686.831 5.970 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccccc1)[C@H]1CCCN12 408565166 IINLWSMIEMKOHG-YUHKXCSQSA-N 534.410 5.083 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408565446 KTNWDKGOXZTCTO-OCAOGGMISA-N 612.908 6.135 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408574442 UVGZCQFDJLRGLE-LPSCJGLESA-N 607.288 5.912 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C(=O)O)o2)c1 408634037 RGGCWOHROYLHDH-LSHDLFTRSA-N 572.020 6.684 5 40 KKBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408682650 LAONSGYIYWVGNB-UDPYREPESA-N 587.588 5.095 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408688411 WGMVITJQNAYPNM-UHFFFAOYSA-N 573.603 6.715 5 40 KKBB COc1cccc(NC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Nc5cccc(OC)c5)c4cc23)c1 408720460 PTMXFGGDXJYVOU-UHFFFAOYSA-N 630.704 8.639 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccco1 408839298 QIDGMFZSFIMEIC-OQLLNIDSSA-N 573.764 6.382 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408854655 ASDGDGURVQJMFH-MIUGUJGPSA-N 644.662 5.194 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916866 HOHVJAYKLMJREW-LPYMAVHISA-N 525.380 6.173 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 408996960 FQCVQCDRWYSCPK-PNZYDNNZSA-N 608.470 5.037 5 40 KKBB CC(C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409021588 OQICDUMRKKJDIH-RQZCQDPDSA-N 511.781 6.034 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c2=O)=N1 409050790 ZTHDBIRTFNJBIA-FQKMCRJQSA-N 731.419 6.280 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409179418 NCITZCXIRJLSFL-WLNFRNCRSA-N 761.478 7.062 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409197454 FUZQYDGJWUKQJD-MYYYXRDXSA-N 570.583 6.009 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1Cl 409269725 MDEWALPZKVTLKN-RGVLZGJSSA-N 513.915 5.192 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1C 409273689 LBLXXDPXOHNWNT-FSJBWODESA-N 548.533 5.587 5 40 KKBB O=[P@@]1(NS(=O)(=O)C(F)(F)F)Oc2c(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc3c(c2-c2c4c(cc(-c5ccc6ccc7cccc8ccc5c6c78)c2O1)CCCC4)CCCC3 1857524059 AYQUGUKQLQQIEA-AFLCPGBUSA-N 889.932 14.171 5 40 KKBB O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)Nc5cccc([N+](=O)[O-])c5)cc4c3c2)c1 5942035 SRIRPKZSMVUODX-UHFFFAOYSA-N 568.545 5.004 5 40 KKBB C[C@@H](Nc1cc(N2CCN(C(=O)Cc3ccccc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 9312135 AQSIZOBBFWXYCY-QOHRDKRTSA-N 502.659 5.503 5 40 KKBB Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 13139804 XPUBTMXZZANGEZ-UHFFFAOYSA-N 508.383 5.352 5 40 KKBB Cc1ccc(C2=Nc3ccccc3N3[C@H]2O[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 35074959 SMRKYZRESNBWSJ-NHKHRBQYSA-N 506.518 6.591 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 59331940 RSVRRSZJCNYIBI-UHFFFAOYSA-N 520.929 5.316 5 40 KKBB CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OCC)cc2)cc1 97983546 DMGUHELCQUBQIA-DJTBFXSJSA-N 551.643 7.229 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]23)cc1 98006816 YUBUBTHBZIIYES-OHKLAEMPSA-N 662.698 6.801 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 100892603 DUONHBGHQMEVTO-KIHHCIJBSA-N 534.355 5.300 5 40 KKBB CN1/C(=C\[P@@](=Nc2ccccc2[N+](=O)[O-])(OC2CCCCC2)c2ccccc2)C(C)(C)c2ccccc21 102941104 SZUAEOQBZLIJQJ-HEFGHAFBSA-N 515.594 8.286 5 40 KKBB Cc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1 103084008 QJSOYCHICJNAPZ-QJOMJCCJSA-N 535.600 6.741 5 40 KKBB COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103553033 KHCVIOANXKIKGD-JCUDBWTNSA-N 571.589 5.460 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105313507 PBWUOGWVUUGMKD-UHFFFAOYSA-N 581.452 5.678 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)o1 106723248 XSWBJSSETDPZHJ-JAIQZWGSSA-N 515.341 5.862 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106724751 KSHLZVWKYKEWAM-MTJSOVHGSA-N 556.394 6.180 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2)cc1 112231838 RVFMMOPPLQKGAD-UHFFFAOYSA-N 542.617 6.531 5 40 KKBB COc1cc([C@H]2c3c(C)nn(-c4ccccc4)c3N=C3C(N4CCN(c5ccc(F)cc5)CC4)=Nc4ccccc4N32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 150482810 NQOFQLSSTPDNDD-FAIXQHPJSA-N 812.884 7.818 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 214255455 LCXTVSHQWHBILH-YDZHTSKRSA-N 634.423 6.553 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223817363 VKPHAQOMNVUKDL-NRUKRWIHSA-N 697.641 6.652 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cc(Br)cs3)cc2)cc1 224761561 UVTDAXJQEUTRPZ-GOTSBHOMSA-N 569.531 7.142 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225185380 PTJPKZSQNHLPJK-NRFANRHFSA-N 649.141 5.233 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1NC(C)=O 225331525 HVUPFEGNUDRBEC-SXOMAYOGSA-N 559.604 5.403 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C(=O)NC2CCCC2)c1 260785109 KLIJVRHTOMUMDJ-JOCHJYFZSA-N 673.188 5.245 5 40 KKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1 408543629 PMRSXOVCHQFDTC-YVMONPNESA-N 526.714 5.907 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 408570928 MJSXPNOCXXOKPP-RUZDIDTESA-N 633.952 7.088 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4OC)C(=O)[C@@H]23)cc1 408723195 ORYIYHYXBYVPNM-VIBBIMNMSA-N 692.724 6.810 5 40 KKBB Cc1cc(N2C(=O)[C@@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])cc1C 408918722 OESPQBOCVBWWBE-QQNJPBSNSA-N 503.352 5.115 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccccc1OC(C)C 408943370 SGARJMOWKVHXSL-ZSXMQSLNSA-N 663.752 6.226 5 40 KKBB O=C1N/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1C1CCCCC1 409076379 AAGXSWVNEIKCQM-MOSHPQCFSA-N 500.349 5.162 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4c5ccccc5cc5ccccc45)c(=O)n32)cc1 409081676 QBXHLQGGMTUOLO-VMCUCKNMSA-N 581.697 6.189 5 40 KKBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n1C 409140960 HIBUTIYSKNMGRU-NRFANRHFSA-N 630.550 5.467 5 40 KKBB COc1cc(C=O)ccc1OCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 409256668 MUZYYXDYZDLHNB-YSMPRRRNSA-N 564.572 5.119 5 40 KKBB O=C1Oc2c(cc3c4c2CCCN4CCC3)[P@](=Nc2ccccc2[N+](=O)[O-])(N2CCOCC2)N1c1ccc(Cl)c(Cl)c1 97984315 RNBBLJHCYIJTKO-WBCKFURZSA-N 628.453 6.940 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc4ccccc4c3)cc12 98045665 VAZIYFQCODYQKT-UHFFFAOYSA-N 558.568 6.015 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Br)c3)nc2c1 100320106 MYIGRIDPDSGBJN-AWEZNQCLSA-N 553.438 6.806 5 40 KKBB CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2[N+](=O)[O-])C(=O)[C@@H]13 100660677 YGUPHSYJUKWQMM-BNZAKVLTSA-N 520.626 5.610 5 40 KKBB O=C1[C@H]2[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)cc1 102748482 VFDJNELIPCLBFQ-ISJGIBHGSA-N 550.354 6.213 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)C[C@@H](C(C)(C)C)C2 103082015 XFUTULXEMAAZEY-UZSKZZQDSA-N 599.709 7.546 5 40 KKBB O=[N+]([O-])c1ccccc1C1=Nc2ccc(Br)cc2C(c2ccccc2[N+](=O)[O-])=Nc2ccc(Br)cc21 103988354 XCMTZKMNMIQWFM-UHFFFAOYSA-N 606.230 7.680 5 40 KKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 104221785 ZHJCTZVKGPXUBK-WYMLVPIESA-N 558.388 7.640 5 40 KKBB CN(c1ccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1)S(=O)(=O)c1ccc(Br)cc1 104404039 JDKBKUKXJTYKBM-UHFFFAOYSA-N 546.424 5.649 5 40 KKBB COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl 105305979 XYIFXHNFFQGLIC-UHFFFAOYSA-N 566.043 5.108 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214999270 FCQSWSRDXNLJOQ-SRZZPIQSSA-N 638.721 7.589 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222720437 SXITYDUILWSPDV-JGCGQSQUSA-N 646.741 5.342 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223228346 XBYPZGLOCCNTEM-NHCUHLMSSA-N 710.047 5.855 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223552315 NSJFIZNBIJHXAB-ZOYWYXQUSA-N 663.196 5.998 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223756634 ZYTRSVXKYAZBIX-JGCGQSQUSA-N 709.221 5.545 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 223778888 MFIOJUALBKJLBQ-RPBOFIJWSA-N 502.552 5.444 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224164389 GROLMCKUDYXYRN-HKBQPEDESA-N 628.751 5.345 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1OC 225195699 FJSCNEMLICZJLQ-RRPNLBNLSA-N 542.621 5.315 5 40 KKBB Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 248294985 WMZUMKLGYFTYLW-UCDUTVGFSA-N 535.600 5.492 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260915792 ZATJPROLRMOGFS-MGBGTMOVSA-N 727.667 6.579 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 260943512 SIHOXJTWOWLRKV-PGUFJCEWSA-N 668.816 6.188 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261041318 ZFSJPUHEQYMIFR-MGBGTMOVSA-N 709.652 6.796 5 40 KKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408541560 DEDQMRNIZMRNII-TWGQIWQCSA-N 551.293 5.552 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408557619 PPPQEMPRTLFLIG-UHFFFAOYSA-N 502.321 5.855 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408566431 NYNLGKOHGTUJJM-IUUIHGGBSA-N 532.811 5.748 5 40 KKBB O=C(O)/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408634613 SLESGZDYRNKYEQ-BKUYFWCQSA-N 508.943 5.830 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)cc2)cc1 408643330 PEXSMGLPXOUQOS-UHFFFAOYSA-N 879.106 7.709 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408650325 MIQHXHQAPMTBQN-DQEYMECFSA-N 559.962 5.232 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(Cl)cc1Cl 408655919 SFRYOSGTJOYULM-KRWDZBQOSA-N 513.333 5.348 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409145289 NVHNFOMDIFCCOI-CVKSISIWSA-N 658.611 5.926 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])c(OCC)c3)C2=O)ccc1Cl 409158658 UJCIQLUNRJDLBB-VULFUBBASA-N 640.070 6.078 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)cc1 409176362 LKWDPSULGXXSDF-YTTGMZPUSA-N 677.463 7.731 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409229901 AUFINNNEGUABEV-DEDYPNTBSA-N 598.415 5.250 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409257208 OZDDGQAZLPIWSE-BRJLIKDPSA-N 626.485 6.237 5 40 KKBB O=[N+]([O-])c1cccc(COc2c(Br)cc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2Br)c1 409374200 YPSCOIRMFJTVGR-UHFFFAOYSA-N 605.352 6.192 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1 409411182 FGYMGNDTIIWHKI-UHFFFAOYSA-N 540.399 5.350 5 40 KKBB COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1Br 2261472 RBRTWTUFSXUKFF-UHFFFAOYSA-N 527.809 5.270 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 8765785 RXXHJIPLNWEYCR-UHFFFAOYSA-N 512.927 5.541 5 40 KKBB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)cc1OC 12618203 ZAOXKJAUJFMKSE-HMAPJEAMSA-N 510.506 5.118 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC 100362055 BASBGZWFFKXCPO-MFKUBSTISA-N 563.588 5.256 5 40 KKBB Cc1c(C(=O)NCc2nnc(SCC(=O)c3ccccc3)n2-c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 100816769 PUKFJQUDIJRZMF-UHFFFAOYSA-N 556.431 5.696 5 40 KKBB COc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101673537 CHZRWCNJNSGYPL-GGKJBDKJSA-N 571.589 5.585 5 40 KKBB COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 102877571 SUUFERUYZMLAHJ-NHKHRBQYSA-N 614.010 5.836 5 40 KKBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)cc1[N+](=O)[O-] 102975095 HLVUKMXUETWAEB-GOSISDBHSA-N 539.610 5.186 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)Nc1ccc2c(c1)oc1ccccc12 103776061 NOYMVMOOUHZZRJ-UHFFFAOYSA-N 580.603 6.635 5 40 KKBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2cc(Cl)ccc2Cl)o1 104120805 VZSXWVXBJJMSFM-UHFFFAOYSA-N 515.172 6.051 5 40 KKBB Cc1ccc(CCNC(=O)c2c3nc4c(C(=O)NCCc5ccc(C)cc5)ccc(Br)c4oc-3c(Br)c(=O)c2N)cc1 150402113 QVKUVWWCAZRFFO-UHFFFAOYSA-N 692.408 5.962 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(-c6ccccc6)n(-c6ccc([N+](=O)[O-])cc6)c5-c5ccccc5)c(=O)n42)c2ccccc2CC3)cc1OC 163282902 IAFIBZJWVUCRAB-LKTSNFJKSA-N 742.857 8.369 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c2=O)=N1 164190379 UHKRRYAZWPPDRR-VSQRRKBNSA-N 687.771 5.482 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223829967 IXGAIIZKQBWRJA-NDEPHWFRSA-N 679.623 6.138 5 40 KKBB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224358179 XSPLWYNFLCWKGF-FQEVSTJZSA-N 621.543 5.286 5 40 KKBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224402327 RDHABWCCCSPNRV-RUZDIDTESA-N 607.516 5.040 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 224884317 UZVJGQDTODCLAQ-DNQXCXABSA-N 522.970 5.795 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225613403 LIVNIQVHZYZCKW-HHHXNRCGSA-N 588.557 6.691 5 40 KKBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 225761563 PBDPCYPDXUCRCK-NDEPHWFRSA-N 533.694 5.549 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260881989 CCUVVBSFCYENMJ-SFTDATJTSA-N 665.596 5.746 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1F 408565647 CQWCZOXVEWYRKC-DEOSSOPVSA-N 512.538 5.552 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408567594 GXCSGCRTBJEEAR-HSZRJFAPSA-N 556.000 5.835 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408823293 DSBAYZOHTLHQDM-MIUGUJGPSA-N 818.484 6.440 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 408826882 DLCVXTWEFCCLRQ-KYRGTEIWSA-N 663.630 5.979 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C\c5cccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)c1 408827390 GXJPTOQJNRSDAU-PNQAETMRSA-N 632.654 5.936 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 408917531 WKICTIOXPIBWRN-WYMPLXKRSA-N 603.878 7.225 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409097765 HGCWEVSPUKAXCS-IVQFASICSA-N 721.630 5.371 5 40 KKBB CCOc1cc(CNc2ccc(OC)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409113051 HUHIXGCVPMGUMG-UHFFFAOYSA-N 534.350 5.798 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409131763 JSSCWMMEFXNWBQ-LFVJCYFKSA-N 583.460 6.614 5 40 KKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Br)cc3)c2ncn1Cc1ccc(Cl)cc1 2253104 SPHGVOBTGNVYRK-UHFFFAOYSA-N 516.786 5.748 5 40 KKBB C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3319794 WKJKCFFXBOCDGZ-KRWDZBQOSA-N 540.630 6.357 5 40 KKBB COc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cc(Oc5ccc(F)cc5)cc([N+](=O)[O-])c4)c3n2)cc(OC)c1OC 8445079 VNRZTDMTDPHWKD-UHFFFAOYSA-N 627.507 6.533 5 40 KKBB CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 97995667 BHRDDHMZGRZOAR-UHFFFAOYSA-N 554.603 5.606 5 40 KKBB O=C(Nc1cccc(CNc2ncnc(NCc3cccc(NC(=O)c4ccco4)c3)c2[N+](=O)[O-])c1)c1ccco1 100913063 XFNVIEBZXQCBRQ-UHFFFAOYSA-N 553.535 5.300 5 40 KKBB O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccc(Cl)cc1)N2)c1cccc([N+](=O)[O-])c1 100999183 IYHYUKZUKWDUEM-NRFANRHFSA-N 507.337 5.801 5 40 KKBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c2ccccc2)c([N+](=O)[O-])c1 102975321 VJUGMKUFZCKJGZ-SANMLTNESA-N 563.563 5.380 5 40 KKBB C[C@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 102996967 ADZLNMCCBQLTGI-AWEZNQCLSA-N 541.054 5.676 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccc(C)cc1)[C@@]21C(=O)Nc2ccccc21 103549896 ZJYJLYAGGWEYIV-WLDYPGBFSA-N 569.617 6.149 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 150396380 HUTDPUWNWIQMTA-UOVKPGFYSA-N 688.589 7.534 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c2=O)=N1 164176343 FSVPNTZFBLBFMD-FUFNRSNVSA-N 638.098 5.417 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215263778 SVYBNPBJXONMOO-QPJQQBGISA-N 555.908 5.914 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223203135 NIYGNSVAJIAUSP-AREMUKBSSA-N 659.205 5.791 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225379768 CWRYODMNGJVHOC-DHUJRADRSA-N 751.277 6.989 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225619795 IRCHCNISCOXUMY-JIPXPUAJSA-N 601.125 5.166 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260904796 FEECKZBVYZYRTH-DCFHFQCYSA-N 635.570 5.819 5 40 KKBB Cc1ccc(COc2ccc(Br)cc2[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1 408569668 WVLJCIFXNVIRDM-DTOIDXSMSA-N 548.437 5.391 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc([N+](=O)[O-])cc1 408642932 OJLHDUXEHUBVIR-UHFFFAOYSA-N 813.862 7.488 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733772 QJORERVVSCXJLL-BXMULHQWSA-N 907.908 7.408 5 40 KKBB Cc1cccc(C)c1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408736388 BKUPNIBPQYRULZ-MHZLTWQESA-N 507.590 5.710 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408829074 WZNODAIYLKUSCN-MFCBUNOESA-N 652.523 5.516 5 40 KKBB Cc1ccc(C(=O)Oc2ccccc2/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)cc1 408848244 UYJOTRMDSHPLHS-XDHOZWIPSA-N 518.934 6.335 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408947825 OHDFEZPSWSFSMV-FVUNBJOLSA-N 898.517 6.969 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1cccc(OC)c1 408998289 ISHLYJNSTRUZQP-NXYYLBPMSA-N 899.501 6.641 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1 409041271 UKHAIVLSUXYDIM-JLHDDXNDSA-N 613.692 5.073 5 40 KKBB CCOc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1cccc(Cl)c1 409139419 AGUMKJKENJSTNI-PSXMRANNSA-N 634.132 8.587 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409166481 DVYOYPZNJFSZHB-WYMPLXKRSA-N 578.559 5.596 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409181980 HHANYSFIESZHRQ-DHRITJCHSA-N 582.034 6.209 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)o2)cc([N+](=O)[O-])c1C 409198006 UHLYEQASKKFOLY-UFFVCSGVSA-N 590.839 6.563 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)o1 409400339 ORTXNHRBKVZJHC-GRSHGNNSSA-N 590.770 5.062 5 40 KKBB O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1Cc1cccc(Cl)c1 585265864 WNBJETGSWDSZSQ-UHFFFAOYSA-N 606.104 5.207 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cc(C(F)(F)F)ccc1Cl 2759176 HMLSPWKAKJAFJX-UHFFFAOYSA-N 562.671 6.969 5 40 KKBB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Oc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 3282780 IJFDOROGJPLOIX-UHFFFAOYSA-N 558.019 7.019 5 40 KKBB O=[N+]([O-])c1cccc(C2=NN(c3nc(-c4ccc(Br)cc4)cs3)[C@H](c3ccc(F)cc3)C2)c1 8442564 DRONMBZLGXEZKI-QHCPKHFHSA-N 523.387 6.976 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2 8871117 CIDJUJBFXJZKLN-UHFFFAOYSA-N 509.953 5.065 5 40 KKBB COc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O 57315829 NHGKMHKOFICNTC-UHFFFAOYSA-N 513.550 5.865 5 40 KKBB O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59331556 TZZJDKUJCXJXOQ-UHFFFAOYSA-N 517.636 5.989 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1[N+](=O)[O-])N1C(=N2)C(N2CCN(c3ccc(F)cc3)CC2)=Nc2ccccc21 96022064 OTXVKVYOYPLEHG-JGCGQSQUSA-N 612.669 6.733 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 105314486 PXGLREHOLCQNAU-UHFFFAOYSA-N 575.050 6.712 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222638856 FFKBDFWKPHFMIQ-JGCGQSQUSA-N 663.196 5.856 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222765687 TYGRZMNSPKYMLW-QFIPXVFZSA-N 645.178 5.401 5 40 KKBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224228165 HHPKVRHWZOMKGH-MHZLTWQESA-N 533.694 5.691 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224481227 GTSPDUURNKHOID-MHZLTWQESA-N 635.570 5.142 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 225562586 PYOKCEMNIOIESJ-VSGBNLITSA-N 541.633 5.814 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(Br)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 253572405 QDCNQWWEXTZQJJ-BMPBIMJCSA-N 709.596 8.163 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 261008525 ROHOOYOTOCELFJ-GDLZYMKVSA-N 661.608 5.675 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1F 408567726 HGHLZPMTTTUHLP-XMMPIXPASA-N 528.993 6.066 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)cc1 408570567 LJSVMDWUFJGCGP-DEOSSOPVSA-N 539.455 6.336 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408827910 HWRAOGAHCAMWMM-WLJFKGHSSA-N 603.962 5.162 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 408927251 VRVBYJGRZUCKIX-IMUCPKNRSA-N 631.739 5.847 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 409032808 JLENZWSCXCXQBX-ZPMAPHDVSA-N 729.653 6.569 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c2=O)=N1 409045887 JKGLIUQDMUOMNX-UQDCTOEPSA-N 682.549 5.526 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409048832 PDZLZFAXEZYOHU-OKMHPQNISA-N 722.614 5.844 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)c1 409108896 YSZSSRJTFMPTCF-WSDLNYQXSA-N 599.825 5.430 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1 409170595 WNFPWFUDPMEJOU-XKZIYDEJSA-N 540.022 6.383 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 409171891 CPGYPCYAGTYRPB-LJAQVGFWSA-N 537.959 6.882 5 40 KKBB CCc1cccc(CC)c1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409173328 PAESDOCRYUKYJM-UHFFFAOYSA-N 546.045 5.524 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409193970 JFTXJPXDGQGXJC-ZMOGYAJESA-N 533.562 5.166 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1 409273284 JQGPBJAGCALRTC-MFKUBSTISA-N 518.547 5.492 5 40 KKBB O=[N+]([O-])c1ccc(C2=C[C@@H]3CCCC[C@H]3C3=C2O[P@](=O)(NS(=O)(=O)C(F)(F)F)Oc2c(-c4ccc([N+](=O)[O-])cc4)cc4c(c23)CCCC4)cc1 2237365267 UYPHZKYCFKLVHC-IIJANHGNSA-N 731.642 8.620 5 40 KKBB CC(C)OC(=O)c1c(-c2cccc(Br)c2)csc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 2761819 YJPXOADHMAAZLJ-UHFFFAOYSA-N 523.792 6.557 5 40 KKBB Cc1ccc(C(=O)COC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nc3ccccc23)cc1[N+](=O)[O-] 2772713 RHYFMUOTGQKMCU-UHFFFAOYSA-N 502.526 6.825 5 40 KKBB CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)CO[P@@](=O)(O)OCC[N+](C)(C)C 65740689 UUZCIIYFIOLREQ-WJPZTBRDSA-O 542.674 5.652 5 40 KKBB in-vitro CCN(CC)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 96022272 HRKRDXGIYSURLR-UHFFFAOYSA-N 552.440 6.193 5 40 KKBB CC1=C[C@H]2N(c3ccc(C)cc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 97954630 NFHSKALYPBNTGN-XAEBNIDXSA-N 549.627 5.882 5 40 KKBB CC1(C)Cc2c(sc3c2c2nnc(SCc4ccc(Cl)cc4Cl)n2c2nnc(SCc4ccc(Cl)cc4Cl)n32)CO1 98007226 HSKIAHZKRMXDQA-UHFFFAOYSA-N 682.511 9.036 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(OCc2ccccc2)cc1 100055767 ZJMDVRWNFLOPOJ-UHFFFAOYSA-N 544.555 5.030 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccccc2O)n1-c1ccc([N+](=O)[O-])cc1Cl 101035202 QGSOFGPQUKHVHW-BJMVGYQFSA-N 545.720 5.428 5 40 KKBB O=C(O)[C@H]1[C@]23c4c5cc6cc7cc8c9c%10c%11c%12c(c4c6c%12c79)[C@H]4c6c-%11c7c-%10c(cc9c7c7c(cc(c(c67)[C@]412)C[C@@H]3C=5)C9)C8 103556163 ZADJNWVKEGRDBR-KUFDFXSVSA-N 540.577 7.285 5 40 KKBB CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3Cl)CC2)cc1 105025673 JCAAJZWETFOOFY-UHFFFAOYSA-N 557.434 5.905 5 40 KKBB O=C(N/C(=C\c1ccc(/C=C(/NC(=O)c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 150427155 ZMKQXKHGOTXVSE-SMVCDFMASA-N 690.676 7.112 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 214130418 MDBYKOFNYQWAAH-UFFVCSGVSA-N 613.795 8.058 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)o2)cc1 224656881 NRHJATBRHNGDEU-URLMMPGGSA-N 534.597 7.219 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225064296 TVPJZPJTTBBSQG-RUZDIDTESA-N 528.436 5.609 5 40 KKBB CNC(=O)[C@H](N)CS[C@@H](C)c1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5[C@@H](C)SC[C@@H](N)C(=O)NC)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C 407947266 DAWSJUFONOYCDF-XSRCTALUSA-N 831.078 5.738 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Cl 408557302 MJPREZYKPRMHMP-UHFFFAOYSA-N 538.769 6.443 5 40 KKBB CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC 408567554 GVLCAIJIOPDSDK-LJQANCHMSA-N 527.828 5.509 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 408573074 SKIQGGDNTZGAFE-RTFLAGNKSA-N 542.817 5.250 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408685153 OUQXAMBCGQQOAL-ZYNNUQKQSA-N 669.088 5.507 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408687816 VECRIMHLIFUPCZ-UHFFFAOYSA-N 504.713 5.409 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408769913 QLYZKXZUOVGMBG-BUDNTJSZSA-N 724.586 5.074 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 408772397 OTGWIURNLJBZBJ-MFCBUNOESA-N 759.498 6.532 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cccc(OCc6ccc([N+](=O)[O-])cc6)c5)c(=O)n42)c2ccccc2CC3)c1 408791522 ZPAPXYOUEHFMTR-ZPMAPHDVSA-N 601.684 5.815 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408831291 UYHLXLJFFBFSJI-BIWBSIMWSA-N 582.663 5.412 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)cc1 408850080 FJDFRUUHAIBFDR-UHAPOFRNSA-N 707.721 5.890 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 408996076 NXWSVOLQKMWCEZ-PLNPHXOGSA-N 677.760 5.785 5 40 KKBB COc1cc(CNc2ccccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409112125 FAIHNRCRKPWYMP-UHFFFAOYSA-N 504.324 5.708 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1CCCc1ccccc1 409148173 XNCKTBBVLAPUAE-HZHRSRAPSA-N 528.508 7.075 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl 409152887 LMWYJXIOZGLSIV-SSDVNMTOSA-N 569.979 5.587 5 40 KKBB O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 409205823 KIIAEKWPRCJZCF-UHFFFAOYSA-N 573.252 5.494 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409229184 KWBBLHBQAVZZTE-FSJBWODESA-N 630.448 6.149 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409327121 IFSGAXYWTYCVTH-ZVHZXABRSA-N 612.458 6.010 5 40 KKBB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 1823149 CZUBDSAMSXMHNS-MHZLTWQESA-N 525.457 8.251 5 40 KKBB Cc1ccc(-c2nnc(-c3ccc(Oc4ccc(-c5nnc(-c6ccc(C)c([N+](=O)[O-])c6)o5)cc4)cc3)o2)cc1[N+](=O)[O-] 3669269 DKHVBFHUBHGQTR-UHFFFAOYSA-N 576.525 7.346 5 40 KKBB COC(=O)CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)OC)c5C)C([C@@H]1C[C@@H]1C(=O)OC)=C4C)c([C@@H]1C[C@@H]1C(=O)OC)c3C 4769270 VEFZRFBFJHKRJW-VIJSPRBVSA-N 734.850 6.937 5 40 KKBB COc1ccc(C2=NN(c3nc(-c4ccccc4)c4cc(C)ccc4n3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 11617454 VROWNPVGBYXREU-LJAQVGFWSA-N 515.573 6.878 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 13304331 HDHSGVRQCONKDG-ZMZJTNPCSA-N 507.924 6.963 5 40 KKBB CCCn1nc2ccccc2c1[P@@](=Nc1ccc(OCC)cc1[N+](=O)[O-])(Oc1cccc(Br)c1)C(C)(C)C 97976781 HLJCQWSTIIRZIV-KXQOOQHDSA-N 599.466 8.466 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F 97999676 UJVLNYRBWUCZLT-RPWUZVMVSA-N 615.971 7.777 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccc(Cl)cc6)o5)nc34)c12 98046140 DINGFFBAPNOYDN-UHFFFAOYSA-N 515.904 6.707 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc2[N+](=O)[O-])cc1 100367796 VYXNWHNWYZOFSY-XKZIYDEJSA-N 523.567 5.869 5 40 KKBB CCOc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc3sc4c(c3c2=O)CCCC4)cc1 102997891 VAPDXCLAKODBHH-OAHLLOKOSA-N 585.107 6.406 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)c1 103817521 HQWZXLDRGSPMPD-ITNPZBTBSA-N 596.064 6.149 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=Cc4c(ccc5ccccc45)N3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 103918467 CORKNRFVHAWXMO-HDUOHBRYSA-N 529.552 5.329 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)c1ccccc1C(c1cc(Cl)ccc1Cl)=NN2c1ccccc1 104496909 SJRWGKPJODRIGD-GDLZYMKVSA-N 588.476 7.440 5 40 KKBB Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 107665468 OXFDLDCFRQQABE-UHFFFAOYSA-N 500.536 5.542 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163662781 JVDHXEKFPYPIFN-PLQXQRLBSA-N 799.949 6.095 5 40 KKBB CCOc1ccc(CNc2nc(NCc3ccc(OCC)cc3)n(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 199432270 AMNJTXMLVZXVHY-UHFFFAOYSA-N 551.003 5.550 5 40 KKBB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 225359996 KOVNHBYBTZKJMB-FTJBHMTQSA-N 500.580 6.214 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225517435 KVQDNSUZLOZHTO-AREMUKBSSA-N 552.469 5.456 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)N=C1C 248150119 JJFZXDSDHSNMCQ-WLNZHLEZSA-N 537.620 5.990 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 260904248 BDIPBEQXBOOJRL-HHHXNRCGSA-N 665.596 5.089 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 408567175 GQWPYXJTCFKPHB-XMMPIXPASA-N 584.452 6.244 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1F 408571966 QCPHVARTCPIWCJ-RUZDIDTESA-N 508.575 5.803 5 40 KKBB CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(I)c1OCc1ccccc1 408626178 ZYEUUIBFBYIWMU-UHFFFAOYSA-N 532.334 5.738 5 40 KKBB CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408650669 MQEDYYLVNUPDOP-BRORTUQTSA-N 585.616 5.506 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)n32)c1 408770116 SXAGTBJUZREEBM-NBQDTTAVSA-N 663.668 5.491 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccccc1OC(=O)c1ccccc1 408843574 MFGKITPDLTWZCV-LDADJPATSA-N 504.907 6.027 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408853379 RSXOFHNDLOZZNN-KFOJKGMOSA-N 804.517 7.285 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 408917069 LVPVPLPIDDBDGJ-WSDLNYQXSA-N 528.945 6.211 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409040927 VETDZJYBRZNMHX-GEYGMGCISA-N 666.756 5.505 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409098461 OXAIUYMGTTTZFT-INJWXVQMSA-N 671.559 5.596 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409142923 FQJPAGBLDLHXSP-YVBHXKDBSA-N 675.789 5.062 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409154322 NOAPBRKPOZZZKH-RGVLZGJSSA-N 585.392 5.228 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc(Cl)cc1 409156880 UCQRKVZFRUEXLL-LPYMAVHISA-N 523.954 5.502 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409174433 TXPSDAFERXPJKA-UHFFFAOYSA-N 542.372 5.192 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409179401 MQNBJTVDBWQATN-UHFFFAOYSA-N 534.502 5.485 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC 409191724 LODDBNYSQCLFIR-LRAMOIDDSA-N 802.516 6.721 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@@H](c1ccc(Cl)cc1)N1C(=N2)C(N2CCOCC2)=Nc2ccccc21 1317230 VEWRMTMONNVPNW-AREMUKBSSA-N 554.010 5.758 5 40 KKBB Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2)cc1 33596140 KWYQQTGVNSVVNP-UCQKPKSFSA-N 503.536 5.157 5 40 KKBB O=c1c(Br)cc2nc3cc(Br)c(O)c(Br)c3oc-2c1Br 100086136 FNZMSZFLTFRNMB-UHFFFAOYSA-N 528.776 5.048 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 100189944 KSJSHCABMFLGNC-ZGOFBEGVSA-N 557.628 5.090 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 100189949 KSJSHCABMFLGNC-BIWBSIMWSA-N 557.628 5.090 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 100746072 AQNHUPUJBBPFMH-SUAMDDGLSA-N 592.073 5.743 5 40 KKBB O=C(Oc1cccc([C@@H]2N=C(O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)c1)c1ccc([N+](=O)[O-])cc1 102100809 MIBFGIZWMZQJRU-AREMUKBSSA-N 540.601 5.863 5 40 KKBB COc1ccc(-c2nc3c4cc(I)ccc4c4ccc(I)cc4c3[nH]2)cc1O 102442381 ODNRIWHAHGPLJB-UHFFFAOYSA-N 592.174 6.460 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=C(O)C1 102453449 UZXJMYMZRFXGLF-SSEXGKCCSA-N 568.029 8.615 5 40 KKBB COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br 102555956 SOBMLYLWTNXPKK-GSDHBNRESA-N 574.387 5.570 5 40 KKBB O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)N(Cc2ncc(-c3ccc(Cl)cc3)o2)Cc2ncc(-c3ccc(Cl)cc3)o2)cc1 102771264 ZFRVEVAMSGVQLR-PWUYWRBVSA-N 595.439 6.308 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cccc(OCc6ccc([N+](=O)[O-])cc6)c5)c(=O)n42)c2ccccc2CC3)cc1 104657136 MGQFSLDBQXDYRO-XNMXCUJWSA-N 601.684 5.815 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1F 105251049 BQNDOBMSIQIECV-UHFFFAOYSA-N 538.801 5.939 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccccc1 106710069 PCNMNJUDBQHNJV-NHDPSOOVSA-N 599.375 5.733 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224295633 PUEXBLWMZUQBDZ-HKBQPEDESA-N 632.714 5.096 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224968555 CONZQKAXLOIOQB-XIFFEERXSA-N 676.767 5.411 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225625010 VNCQSBLVILAXAR-MHZLTWQESA-N 665.596 5.233 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 229597780 JOLGNNANNAVUIK-CILKRHGOSA-N 586.560 5.359 5 40 KKBB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)/C=C/c5c6ccccc6cc6ccccc56)CC[C@]4(C)[C@@H]3CC[C@@]12C 253502974 HWPKACQLFFCDBD-RPHOBQKTSA-N 616.930 11.959 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260920182 GMWZRKCXJOMQFS-OAQYLSRUSA-N 631.151 5.093 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1 408566302 FGNAMEPYCZGFQE-MHZLTWQESA-N 613.534 6.825 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1 408569866 JZSXIBCTRPQHGN-HSZRJFAPSA-N 591.434 6.314 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1C 408571573 PBQVKOILCKTRAA-VWLOTQADSA-N 543.476 7.188 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 408574577 SDGSASXSRJQLST-VMPITWQZSA-N 603.484 5.575 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 408577516 ZRKMPEAGQAJKMI-VWLOTQADSA-N 543.020 6.456 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 408577548 ZSCAVQHOMDWYIN-AREMUKBSSA-N 573.502 7.197 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)C(=O)O)n[nH]1 408632902 UWASHNWZHPSDHE-GRSHGNNSSA-N 516.894 5.659 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408676211 ALPWIOKSSRZHTB-ZYNNUQKQSA-N 703.533 6.161 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4c(ccc5ccccc45)C3=C[C@@H](c3ccc4c(c3)OCO4)[C@H]2C1=O 408732686 UBCUYZHOOIDPLD-SIZNEBELSA-N 574.545 5.307 5 40 KKBB O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408756424 RDRIIBCCPGNQPD-IMUCPKNRSA-N 602.628 5.927 5 40 KKBB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 408804569 AWQJFRDISUYMEL-SEGSMTSKSA-N 528.654 7.228 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408851519 KWQISMMMZIOENO-OBDCIHEFSA-N 692.588 5.835 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 408914462 NZBZNUMOKZCSQQ-SFKHYTNKSA-N 875.504 6.694 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cccc(OC)c1 409000156 MSIAAPPBQZKQQE-DFXMODJXSA-N 678.679 5.553 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036220 AUKBFZMFRAWUNZ-SUCILVLGSA-N 798.874 6.782 5 40 KKBB CCOc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 409114709 IVKIRLBNYSNGMA-UHFFFAOYSA-N 536.220 6.710 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1Cl 409173041 KXRJJIVUTBHTLD-KEBDBYFISA-N 532.361 6.145 5 40 KKBB Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 409181688 GDAMNMFTPPVMBQ-HHHXNRCGSA-N 520.497 5.485 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccccc1OC 409191139 SYPSAFROQXMKSH-PQRKSKNISA-N 717.229 5.798 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409251937 RFAUFEOGHOMBGM-YDZHTSKRSA-N 566.408 5.736 5 40 KKBB O=c1[nH]c2c(s1)[C@@H](c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl)[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11990745 QOGOWCLXSZOUGF-IEZHZQBZSA-N 501.029 6.229 5 40 KKBB Cc1ccc(Sc2ccc(C(=O)OCC(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])cc1 14357669 BNDBGZKZLATJII-UHFFFAOYSA-N 523.611 5.006 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16037591 FIYSBLSOTYOTCA-HFLBTKGNSA-N 515.525 5.146 5 40 KKBB O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22837374 XHNXBYAUFFEKMC-UHFFFAOYSA-N 513.337 5.799 5 40 KKBB C1=Cc2nc1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1 27521195 AQPPOLXYUQPDOD-UHFFFAOYSA-N 614.752 11.324 5 40 KKBB in-vitro O=C(COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)N1CCOCC1 59651939 HJHPCGZPQPDGPO-MGBGTMOVSA-N 592.652 5.194 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 59953465 UDLAEYUPSYKIEN-UHFFFAOYSA-N 559.644 5.336 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 97949237 AWTOWUGNJIDAFZ-FYYLOGMGSA-N 681.263 8.021 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(C=CC(c3ccc(Br)cc3)=NN2c2ccccc2)S1 97999564 QDQXTWULCRQEGG-AREMUKBSSA-N 578.448 5.922 5 40 KKBB Cc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3C(=O)NC34CC5CC(CC(C5)C3)C4)n2-c2ccccc2)c(Cl)c1 98009012 FEHGEDNDTZIJJP-UHFFFAOYSA-N 600.144 7.654 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1Br 100301263 CNXWEHFTPYAPBE-UHFFFAOYSA-N 567.755 6.224 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3n2)cc1 100326503 NMKQYMXVPLGROY-UHFFFAOYSA-N 567.469 5.869 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 100343322 HOHXSJGQTOLNLX-AWQFTUOYSA-N 515.906 5.820 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 105308115 NAAYZDSATNBEKL-UHFFFAOYSA-N 543.649 5.931 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105318231 MINCBDIIPXVKMV-UHFFFAOYSA-N 576.078 5.957 5 40 KKBB Cc1cccc(-n2c(CNC(=O)c3ccc([N+](=O)[O-])cc3)nnc2SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(F)cc2)c1 150411067 WWXPBZFCFHCIIX-MHZLTWQESA-N 655.737 6.085 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 163198131 FSURKSBNEWNAGW-LXKZMGPHSA-N 645.737 6.213 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 163737667 ANUIUKGXGAEMMZ-WGJPBTIMSA-N 635.698 5.447 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205688295 UCDBVAQMBRNRHE-WSDLNYQXSA-N 559.825 6.826 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 214119648 UVIAKYMQBBDNOD-FOKLQQMPSA-N 589.851 6.835 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223588029 UZEVVNSKPRJPED-FNZWTVRRSA-N 554.043 5.190 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 223955950 KTLWPSKWGWBWFF-NRFANRHFSA-N 677.607 5.890 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224464497 SSHPHAKPSICWDI-WJOKGBTCSA-N 707.647 6.107 5 40 KKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408541575 DHDBYQSVSSHUCB-YVMONPNESA-N 524.165 6.174 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 408569068 IPAHJTSBSVSYGY-XMMPIXPASA-N 521.555 5.182 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)c1 408639136 VJOPMIWAUIFZCP-RUZDIDTESA-N 608.647 7.390 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc([N+](=O)[O-])cc1 408681702 IGTBQTBXQHGRLG-UHFFFAOYSA-N 612.165 5.653 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]23)cc1 408731347 JYKCRWPKMWXGRK-QNMIOERPSA-N 544.947 5.087 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1OCC 408739070 SNGOBLJROZADSH-LMSRTUJASA-N 594.045 5.019 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408844968 DSCNJRXMGIBWKK-FSEOGBMLSA-N 642.517 6.061 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(F)cc1 408867377 KPXJPGVKTVBIOF-GRSHGNNSSA-N 546.330 5.431 5 40 KKBB Cc1sc2nc(-c3ccc(Sc4nc5ccc(NC(=O)c6ccc(Cl)cc6)cc5s4)c([N+](=O)[O-])c3)nc(O)c2c1C 408987544 BGDSIDOZTRSMHE-UHFFFAOYSA-N 620.137 8.256 5 40 KKBB O=C(N[C@H](Cc1ccc(OC(=O)OCc2ccccc2)cc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)OCc1ccccc1 409003866 VQMGUJBEBHRKCC-GDLZYMKVSA-N 612.591 5.574 5 40 KKBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O 409021022 WYWGIMGPTSVVDM-PVGUKEHMSA-N 534.974 5.214 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 409036231 AXAVPDCOHMBXKV-MIUGUJGPSA-N 601.681 5.371 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409086226 QDRKHTRDOYBYLW-YIDORKBYSA-N 745.652 6.188 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409150062 ZHSXIFDYEZRFFP-WPWMEQJKSA-N 744.564 5.689 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 409356676 HADDJRDJZJRNEE-OAQYLSRUSA-N 579.510 6.069 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)OC(c1ccccc1)c1ccccc1 1829599 YZABQCDDSCIHOQ-MUFAAYGBSA-N 585.616 5.626 5 40 KKBB CC1(C)Cc2c(sc3nc(SCc4ccccc4)nc(SCc4ccc([N+](=O)[O-])cc4)c23)CO1 1849302 SAWCUVRKLOVICG-UHFFFAOYSA-N 509.678 7.035 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1cccs1 2303295 RTBDUOAQAGYXMZ-GTWFGUSFSA-N 510.640 5.166 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1ccc([N+](=O)[O-])cc1 2305281 FTMHFYWNQVYRGH-UHFFFAOYSA-N 544.330 5.134 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 3769192 PEEYOFSLWHIBNJ-UUYOSTAYSA-N 559.825 6.826 5 40 KKBB CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)c4ccccc4)c3)CC2)cc1[N+](=O)[O-] 8817365 MJLCPBFFGYBPAE-LJQANCHMSA-N 519.558 5.037 5 40 KKBB Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 14274723 MKBROWXCXMXEOG-UHFFFAOYSA-N 501.568 5.438 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 97955298 VOSIDTGGCYSXFF-HBMCJLEFSA-N 518.740 5.606 5 40 KKBB Cc1cc([N+](=O)[O-])nn1[C@H](C)c1nc2c3sc4nc(C(F)(F)F)cc(-c5ccco5)c4c3ncn2n1 98046264 KYOKUGUZAUCTOR-SNVBAGLBSA-N 514.449 5.188 5 40 KKBB O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1cc(Br)ccc1Br 100026050 BYLYENUKMJAWJF-DHZHZOJOSA-N 527.172 5.989 5 40 KKBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 102894332 BFUMWFUBEKUPJU-DSNGMDLFSA-N 584.799 6.866 5 40 KKBB CC[C@@]1(C)Cc2c(sc3c2c2nnc(SCC(=O)c4ccccc4)n2c2nnc(SCC(=O)c4ccccc4)n32)CO1 102911656 DPRFJCRQYCFCFB-PMERELPUSA-N 614.778 6.178 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 108186422 HZAQTPGNBIBJBE-PRLWALMFSA-N 571.655 5.398 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 150395541 BKGONNGHQYOWRC-OINPTKSXSA-N 658.157 6.479 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 164552547 HJKLFTRYQNDIII-WGJPBTIMSA-N 805.501 6.956 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 215013353 RJGHOZJXYGSWLT-SRZZPIQSSA-N 552.477 5.449 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222713827 KRIATLJJSYMRBU-SANMLTNESA-N 621.543 5.429 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223280764 MVRMRERKIRECCR-NDOVKIIASA-N 672.804 5.662 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1Br 224938193 LXKYYJIHZYNOOK-RPWUZVMVSA-N 534.439 6.029 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224975921 WTFJMQMXVHPNJU-UMSFTDKQSA-N 737.250 6.599 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 225006796 GDBTVZJGYMGFKQ-MHZLTWQESA-N 610.505 5.444 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 408572318 QWJAQJWADLAUOG-VWLOTQADSA-N 524.574 5.421 5 40 KKBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)cccc1[N+](=O)[O-] 408635508 CPLGFKCEOHCXBF-UHFFFAOYSA-N 510.355 5.028 5 40 KKBB Cc1cc(C)cc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)c1 408647573 SMQPDALDCMRENY-UHFFFAOYSA-N 519.554 5.603 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)cc1 408832800 RIJUIFOOVVQGDS-LCQSEVKBSA-N 648.535 5.356 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 408924802 RGFKGOKZZSMYSX-QQMBNGEASA-N 638.771 5.820 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409037487 NSYSFTOLNZHXAA-UJOYXPLYSA-N 737.787 5.389 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 409060680 SRCSHPBYWVPRMO-UUYOSTAYSA-N 693.903 5.588 5 40 KKBB COc1ccc(-c2cc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c3ccccc3n2)cc1 409184557 XZDIUISZZYMVOO-UHFFFAOYSA-N 506.514 6.968 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409188613 HVRVCIZBIDMXHH-LPYMAVHISA-N 636.851 7.071 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)c(Cl)c1 409204709 INGFKUBHPFMTNB-UUASQNMZSA-N 531.171 5.339 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409262806 HMTYRZABBOWWDR-WYMPLXKRSA-N 601.559 6.706 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c1C 409269389 IOAGGUFEZRWNGG-ZVHZXABRSA-N 517.563 5.466 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 409333955 GICMFPASCWIWLA-BMZLMQSUSA-N 756.840 6.224 5 40 KKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2415984 HDOGRDGAUZEBEY-UHFFFAOYSA-N 502.416 6.114 5 40 KKBB COc1ccc(NC(=O)[C@H](OC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cc1Cl 3364808 OLGXMNLSLHEEOJ-HHHXNRCGSA-N 579.392 6.678 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59331508 GJRHBDGAZMVGBS-UHFFFAOYSA-N 519.608 5.304 5 40 KKBB COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 97945992 RLRXOZQWGWEZRV-UHFFFAOYSA-N 540.576 5.216 5 40 KKBB c1cc2c(cc1CSc1nnc3c4c5c(sc4n4c(SCc6ccc7c(c6)OCO7)nnc4n13)CCC5)OCO2 97999534 VXFGZKQSJRTDIP-UHFFFAOYSA-N 588.696 5.517 5 40 KKBB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccc6c(c5)CCC6)cc([N+](=O)[O-])c4)c(Cl)c3N2)cc1OC 97999614 WFXYOFDUQQANJC-BVAGGSTKSA-N 658.033 7.656 5 40 KKBB CC[C@]1(C)Cc2c(sc3c2c2nnc(SCC(=O)c4ccccc4)n2c2nnc(SCC(=O)c4ccccc4)n32)CO1 102911654 DPRFJCRQYCFCFB-SSEXGKCCSA-N 614.778 6.178 5 40 KKBB Cc1ccc(NC(=O)[C@H]2SC(NC3CCCCC3)=C(C(=O)Nc3ccc(Cl)cc3Cl)C2=N)c([N+](=O)[O-])c1 102930216 IDGOBCAWGPZIDR-QFIPXVFZSA-N 562.479 6.056 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1cccc([N+](=O)[O-])c1)(N1CCOCC1)N(C1CC1)C(c1ccccc1)=N2 102940441 PACIYQGNKWXMCV-VQJSHJPSSA-N 567.590 5.966 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 103751635 WWUMKDMHRSUIBB-CCLVUABDSA-N 625.659 5.137 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 163751507 VPVVTVQIYNAZMZ-TUVDJZKNSA-N 708.840 7.955 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 164754924 SGQVWXGBXVHTID-VNOBABJFSA-N 636.129 6.468 5 40 KKBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O 205764383 XPTMZOAJOGJFGX-GIJQJNRQSA-N 510.446 5.394 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223510962 IFAJFIGFOVYSSZ-INJOXJOKSA-N 741.694 6.969 5 40 KKBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224322395 ZCWORRYNTOVTEK-HXUWFJFHSA-N 621.543 5.286 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)o1 224383652 BXIUFTSRRYPRBH-KAYWLYCHSA-N 514.607 6.559 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 225146880 AHLHNNXLERAQLT-FTJBHMTQSA-N 562.051 6.675 5 40 KKBB O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 408544265 CUFGGQJHHLJNNQ-UHFFFAOYSA-N 511.966 5.349 5 40 KKBB Cc1ccc(COc2c(Br)cc(Br)cc2CNc2cccc([N+](=O)[O-])c2)cc1 408556238 JCRKEZPNMAINOS-UHFFFAOYSA-N 506.194 6.619 5 40 KKBB CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408556600 KSGZVUCWPJRDOU-XMMPIXPASA-N 610.857 6.609 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408565483 KZDXQLBCJWKYMY-ZNCVFPSASA-N 528.392 5.103 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1ccc(F)cc1 408575550 WMUQTYZWYLGGIX-HSZRJFAPSA-N 543.964 5.966 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408827047 FRRRCLFTTVOUOU-KEPJHFNWSA-N 584.028 6.279 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408849623 ZOWRVSHZHRWXAL-GIJQJNRQSA-N 684.491 8.202 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5c(Br)c(Br)c(Br)c(Br)c5C4=O)cc3s2)c([N+](=O)[O-])c1 408979335 BTBWYLASBRHMQT-UHFFFAOYSA-N 836.132 7.795 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 408997457 GKYWLTXRPIDAIH-CBYYHRJHSA-N 608.470 5.037 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409128231 DXKDOQXHJJXBQP-OAQYLSRUSA-N 531.038 5.026 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409227372 YCWVQZWIFJWWID-FOKLQQMPSA-N 711.893 6.645 5 40 KKBB O=[N+]([O-])c1ccccc1COc1ccc(Br)cc1-c1nc(O)c2c3c(sc2n1)CCCC3 409257335 QCTGKOBRMMOLKW-UHFFFAOYSA-N 512.385 6.192 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409344016 JAHLMKIVILLVHQ-LXYLXTGBSA-N 821.431 5.803 5 40 KKBB C[C@@H](c1ccccc1)N([C@@H](C)c1ccccc1)p1oc2c(Br)cc3ccccc3c2c2c(o1)c(Br)cc1ccccc12 1857524076 ONPIYBCPPMKNMA-ZEQRLZLVSA-N 697.407 12.582 5 40 KKBB COc1ccccc1Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2213784 WDXZEFSHIBKHIV-UHFFFAOYSA-N 512.367 5.103 5 40 KKBB COC(=O)c1cc(C(=O)N(c2ccc(SC(F)F)cc2)c2nc3ccccc3s2)cc([N+](=O)[O-])c1 3311092 IKCXALUKGOIZKG-UHFFFAOYSA-N 515.519 6.284 5 40 KKBB BrC(Br)(Br)c1ccc2cc3ccc(C(Br)(Br)Br)nc3cc2n1 4235293 AIDQZXMXQSTXHH-UHFFFAOYSA-N 681.640 7.373 5 40 KKBB Cc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 9232571 QDGKSUSUKDLNCZ-OEAKJJBVSA-N 503.536 5.157 5 40 KKBB CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO)CO[P@](=O)(O)OCC[N+](C)(C)C 13540302 LSUXCWJOIAWGOU-FTJOPAKQSA-O 520.668 5.544 5 40 KKBB biogenic,in-vitro CC[C@@H](C(=O)Oc1c(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)nn1-c1ccccc1)c1ccccc1 17269291 XWWXMHBPFCHTKL-HSZRJFAPSA-N 505.552 5.021 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1C 32116663 RZLQTUXNKHKDLK-BJMVGYQFSA-N 506.971 6.200 5 40 KKBB COc1ccc(-c2nn(Cc3ccc([N+](=O)[O-])cc3)c(-c3ccc(OC)c(OC)c3)c2Cl)cc1OC 36611280 VAOOTTGJAJJEKC-UHFFFAOYSA-N 509.946 5.861 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)c1 100370124 QDDGGVIRWRXQRX-QRVIBDJDSA-N 551.671 6.451 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)N1c3ccc4ccccc4c3C=C[C@H]21 100781359 CORKNRFVHAWXMO-PXTYPYQWSA-N 529.552 5.329 5 40 KKBB Cc1cc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)c(C)c2)ccc1NC(=O)c1ccc([N+](=O)[O-])s1 100810628 PPQJKFQHZZDKGL-UHFFFAOYSA-N 522.564 6.414 5 40 KKBB Cc1ccc(-n2c(/C=C/c3ccc(Cl)cc3[N+](=O)[O-])nc3ccc(I)cc3c2=O)cc1 101030346 FQBPIFAAQFLSKN-VZUCSPMQSA-N 543.748 6.031 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 101672100 HPEVXTCHWZUTIR-UOWMXVQPSA-N 599.643 6.364 5 40 KKBB C[C@@H](Nc1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N[C@H](C)c3ccccc3)cc1[N+](=O)[O-])C2=O)c1ccccc1 102415400 SYOCSCGDXHZTRO-QZTJIDSGSA-N 572.599 5.927 5 40 KKBB Cc1ccc(N(CC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 103053690 KWGSPEIZXIERNL-PXCRPINLSA-N 520.051 5.001 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2Cl)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 103529364 FKWLUXZNSYSCKD-DZDVJMQSSA-N 576.008 6.230 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 103750447 KKWUTUAMWIRBRB-PRLWALMFSA-N 571.655 5.398 5 40 KKBB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 104405991 PJYKBRZRHFWOPR-UHFFFAOYSA-N 566.035 5.970 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1c(Cl)cccc1Cl 106718112 AWQBTPGLKKUROV-JJFYIABZSA-N 594.270 7.480 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 109391368 WFVATMUVNNLRIU-MIUGUJGPSA-N 617.680 5.071 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(-c2ccc(Cl)cc2)o1 112232235 DIDWIKUPDDKIKR-UHFFFAOYSA-N 538.935 5.364 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 150363263 OYNDZYVLFLHDJA-DRBQYUEGSA-N 656.072 5.486 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215194043 FZYGPCYNYZIDGB-IFRROFPPSA-N 519.318 6.127 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223813000 INWFDFGXPIGRBW-FQRUVTKNSA-N 598.494 5.300 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223908405 YZMWRFKXTUMEQF-HHHXNRCGSA-N 635.570 5.821 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc(Br)c3)cc2)cc1 224782333 JLMNWHZBZSSKAH-FQLXRVMXSA-N 628.577 7.871 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 224998405 BSCXZPTVTNUSQC-WDYNHAJCSA-N 574.106 7.317 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc4ccccc34)c(Br)c1)[C@@H]1CCCN12 408568771 ULMQALLGCCRQCF-RIOMWJCISA-N 584.470 6.236 5 40 KKBB O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408647202 BHVSQRLDWALTDL-HMZNYUFESA-N 661.925 6.496 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408676678 BDLHGCSXWAGYLT-WVZRZZCNSA-N 697.098 5.190 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408683605 LSQACUFGNJFSAS-TUSFPTNYSA-N 702.987 6.361 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n31)c1ccccc1CC2 408765055 BHZODQFESZDUDL-ONOZBBEISA-N 630.509 6.802 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409031350 ASLPTHRXSXYKHD-UPWSPCOFSA-N 638.098 5.416 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)c2=O)=N1 409033727 PEEJQOLCUREQIV-PYCBVSLESA-N 684.568 6.201 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 409104651 GMMOIETWRPCURB-ZVHZXABRSA-N 659.458 5.852 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409108537 VCRFKMAAZOKBIF-BRYUKDSCSA-N 753.881 7.154 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409267425 VNULWKPIWNCIEW-SSDVNMTOSA-N 666.731 7.271 5 40 KKBB O=C(CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5)Nc1ccccc1 1249965 UKZFKXXXJJPQSV-UHFFFAOYSA-N 508.632 5.774 5 40 KKBB O=c1oc2ccc3ccccc3c2cc1-c1csc(-c2nc(-c3ccc(Br)cc3)cs2)n1 3165074 DCSYSWOXXPLEQA-UHFFFAOYSA-N 517.429 7.623 5 40 KKBB COc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c([N+](=O)[O-])c1 6164080 YMFYLOWYYBCFMR-ZDUSSCGKSA-N 607.230 5.410 5 40 KKBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 20528982 UHFDAWHDRDRVJL-UHFFFAOYSA-N 510.978 5.455 5 40 KKBB Cc1ccc(Sc2ccc([C@H]3NC[C@@H](c4ccccc4Cl)c4c3[nH]c3ccccc43)cc2[N+](=O)[O-])cc1 53356565 JPBHRXMBDJBGIA-MUAVYFROSA-N 526.061 8.014 5 40 KKBB O=[N+]([O-])c1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 97951384 ANCDZHUZIJJPNR-MHZLTWQESA-N 540.410 7.868 5 40 KKBB O=C1c2cccc3cccc(c23)C(=O)N1CCCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(F)c1 97983236 MLBJVDAPLWWKCB-UHFFFAOYSA-N 531.927 5.874 5 40 KKBB O=C(Oc1ccccc1-c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100353406 YXWKQHDZTITNEE-UHFFFAOYSA-N 574.414 5.425 5 40 KKBB O=C(c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccccc4)c4ccccc4c3=O)c2)CC1 100365160 HBVAYTSLWZIJOD-UHFFFAOYSA-N 549.562 5.062 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 102370327 OSKNEXCNOWJMKO-AXXJGTDDSA-N 599.643 6.364 5 40 KKBB Cc1ccc(NC(=O)[C@H](OC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)c2ccccc2)c([N+](=O)[O-])c1 104347984 LJZDPRZUOQPXDA-GPWFNSNZSA-N 552.671 7.281 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n31)c1ccccc1CC2 104654926 NEYONHSNFBGLAE-NBQDTTAVSA-N 575.646 5.804 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 111470806 SNLGYPRJUPWWPV-CLNXTWJPSA-N 623.712 5.826 5 40 KKBB CCCC[C@H](CC)Cn1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 150456256 XNURPPMMQTZCLV-NRFANRHFSA-N 644.710 7.011 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 214589085 XDBCBYDGYSYWOA-WYMPLXKRSA-N 569.433 6.490 5 40 KKBB O=C(O[C@H]1O[C@H](CCOc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 223535770 DVRUPTGAKAQTGX-ZWWYPIQLSA-N 689.761 7.702 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 224825719 MVFCBJQRTVRDOG-RPBOFIJWSA-N 502.552 5.444 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl 225256128 VGGPTIROIFOTRY-SXOMAYOGSA-N 594.049 5.674 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225418218 FQALUSBGUQBXKI-XIFFEERXSA-N 741.694 6.970 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225654228 FPFZTXWXIYKGRK-HFZDXXHNSA-N 663.168 5.622 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260900925 HWTUNXZSIKJWNM-GDLZYMKVSA-N 701.640 5.221 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 408565293 BPYSBDIICKJOTH-RUZDIDTESA-N 617.953 7.388 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 408565553 CJUYACKREOEQRG-XMMPIXPASA-N 557.445 6.475 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)cc1 408568157 HUHQJORCEXVKOA-XMMPIXPASA-N 511.003 5.927 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 408570858 MAQMYPLZMBNPFQ-VWLOTQADSA-N 638.371 7.733 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1ccc(F)cc1 408575419 WESYZTPUIPMOTO-QHCPKHFHSA-N 577.863 6.820 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)cc1 408576103 XHVPCLRYRSMMMH-XMMPIXPASA-N 557.445 6.475 5 40 KKBB COc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c([N+](=O)[O-])cc1OCc1ccccc1 408632962 ICELLQLBTMNBCA-UUYOSTAYSA-N 539.953 6.104 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408637814 BEOCMHJYVOBDPP-UHFFFAOYSA-N 756.165 8.271 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 408821391 GXZXHKNEHVGCSP-IMUCPKNRSA-N 620.687 5.668 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1cccc2ccccc12 408916870 HTQVCNIAGACJNG-MZJWZYIUSA-N 605.466 7.335 5 40 KKBB Cc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])cc1C 408917815 BNIBNCCAKMXECP-FPMFRTRJSA-N 582.248 5.621 5 40 KKBB O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Br)cc1 408929746 NKSPAOCCEPCNKB-LICLKQGHSA-N 502.708 5.364 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408937604 KAHCMAYOEBPEFX-YVBHXKDBSA-N 737.585 5.743 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409029636 CAGTXQAAEVWDSY-RIFKOAFWSA-N 722.216 6.133 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 409031816 BMAQEGVTCRQGIC-UQDCTOEPSA-N 587.654 5.062 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409032451 JAIUAGSCMGYBLS-BRYUKDSCSA-N 754.865 7.627 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036855 BUBNKENQKPFFNS-PGUFECHJSA-N 756.617 5.543 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4OC)C(=O)[C@H]32)c2ccc(OC)cc2)cc1 409040569 GSMJQPSZVWHESO-JQDNXDNNSA-N 538.556 5.044 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409179177 PRFIVBLDUNSUAQ-NULZLWRNSA-N 563.635 5.321 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1Cl 409256587 MEUPYEGYDJFIPT-AUEPDCJTSA-N 614.976 5.641 5 40 KKBB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409381267 SNXZHTUTCUESSP-NRFANRHFSA-N 530.400 5.704 5 40 KKBB COc1ccc(/C=C/CCCCOc2ccc3c(=O)c4cc(C(=O)O)ccc4oc3c2CCC(=O)O)cc1 3794275 MTTBGOLFCYOWSV-GQCTYLIASA-N 516.546 5.933 5 40 KKBB investigational Cn1c2cc(Cl)c(Cl)cc2nc2cc3c(cc21)c(Cl)c(=O)c1cc2cc(Cl)c(Cl)cc2cc13 4774358 WIUBNKTVLKDEQN-UHFFFAOYSA-N 532.641 8.813 5 40 KKBB Cc1c(Cl)cccc1NC(=O)c1c(OCC(F)(F)F)cc([N+](=O)[O-])cc1SCc1ccccc1 15024597 VBXDBXWPKOXYDF-UHFFFAOYSA-N 510.921 7.042 5 40 KKBB O=C1C(Nc2cccc(C(F)(F)F)c2)=C[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1cccc(C(F)(F)F)c1 100879019 ICHYRDRHEMHZHD-NRFANRHFSA-N 507.390 6.716 5 40 KKBB COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 102877567 SUUFERUYZMLAHJ-NLDZOOGBSA-N 614.010 5.836 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccco1)[C@]21C(=O)Nc2ccccc21 103555996 IIGHFBBSFNYSHR-FFAHVWSXSA-N 545.551 5.434 5 40 KKBB COc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5ncccc5o4)cc(Cl)c3OC)o2)c([N+](=O)[O-])c1 104330300 JSZXRMBZDABUEK-UHFFFAOYSA-N 520.885 5.981 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1 111465193 XHZJGEQTYGTWPY-AHQATDLNSA-N 577.618 5.104 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214837224 YVBQYEJVKVTTGJ-JFLMPSFJSA-N 594.567 8.194 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223495864 NOYSKQKFBGBICQ-ZOYWYXQUSA-N 663.196 5.998 5 40 KKBB C[C@@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)C1 224142875 SOYMDDDNYJLTRR-AVRWMQKNSA-N 588.133 7.563 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224536806 MUUSSHKSGBFDIR-SANMLTNESA-N 574.530 6.301 5 40 KKBB Cc1c([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n(-c2cccc(Cl)c2)c1C 224763195 KFLGCFJHWHZESS-ZWXJPIIXSA-N 626.207 8.687 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 260981125 LBXMUJWLBIDIAV-MUUNZHRXSA-N 677.607 5.375 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 408565350 BTXGFUAWPHQMIZ-HHHXNRCGSA-N 587.529 7.587 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccccc1 408568065 HMEGQPZKYKFBKQ-QFIPXVFZSA-N 549.867 7.225 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1cccc(F)c1 408571999 QIDQKEHFBXIHOE-DEOSSOPVSA-N 512.538 5.552 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1 408577368 ZCIYLAMSSULOFS-HSZRJFAPSA-N 573.444 6.175 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 408577761 ZTWBZRAIYUATLU-XMMPIXPASA-N 600.451 5.944 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408640453 HZQXAKABUAERSQ-GOTSBHOMSA-N 624.433 5.536 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408678848 DNHAQHAMIYPZSN-UHFFFAOYSA-N 608.048 7.369 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408685085 ONSSENYRIVYVLU-SNINSWTHSA-N 642.081 5.738 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccc(-c3ccc4nc(-c5ccccc5)cc(C(=O)Nc5cccc([N+](=O)[O-])c5)c4c3)cc12 408720040 JHLGVPNPIFZFDG-UHFFFAOYSA-N 736.744 10.105 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 408774572 WMZIMQBODCNLIX-OIUASMPBSA-N 884.490 6.579 5 40 KKBB Cc1ccc(-n2c(-c3ccccc3)cc(/C=c3/sc4n(c3=O)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)c2-c2ccccc2)cc1 408839359 RAYREMKJGXKGKY-YEFJUXFDSA-N 696.832 8.660 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408978613 AAXSUGHYSHEPIM-KMCFWPMWSA-N 761.050 6.847 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 409078382 CADZEVHIZKNAGW-AOFXREQWSA-N 632.698 5.370 5 40 KKBB O=C1Nc2ccccc2/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409113577 HMNGRNHEJYXILH-MFOYZWKCSA-N 530.172 6.192 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409195979 XUOHEFACSWASOM-QWQNUTRASA-N 553.354 6.264 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(Br)c(Cl)c1 409202084 ZHHQMKQLRIXMKN-MYKKPKGFSA-N 625.888 6.689 5 40 KKBB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 409253179 WFPNVFGYWJQGGE-QRVIBDJDSA-N 645.431 5.462 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409262514 HNZWIVYJFPGCTL-AFUMVMLFSA-N 687.512 6.469 5 40 KKBB Cc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2312874 NYSYOJBWHQNEOL-UHFFFAOYSA-N 510.395 5.597 5 40 KKBB C[C@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCCC1=CCCCC1 3369559 YPBFCMVYXWASDD-INIZCTEOSA-N 522.545 6.317 5 40 KKBB O=C(c1ccc(Cl)cc1Cl)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1 8440018 HZXKVIALBLYYJA-MHZLTWQESA-N 662.327 8.164 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C(=O)N1Cc1ccccc1 9428322 FYJZSTHYPIYGTO-ZNZIZOMTSA-N 511.559 5.370 5 40 KKBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 20153117 UVHFARJTRMBTFC-UHFFFAOYSA-N 508.600 5.019 5 40 KKBB CC(C)(C)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 97979818 SQIVIPPHVFJDRR-FXBPSFAMSA-N 535.600 6.723 5 40 KKBB O=C(Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2)c1ccc(Cl)c([N+](=O)[O-])c1 101006940 ANFSMRLUCISXRA-FQEVSTJZSA-N 525.327 5.941 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 101148106 HGSLBRRVUWCDBN-UHFFFAOYSA-N 561.645 5.006 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc4c(c3)OCO4)CCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 102968104 VXGNXCVRIIXHSM-WOKHXPHGSA-N 610.623 5.326 5 40 KKBB CCOc1ccc(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3ccc(OCC)cc3)C2c2cccc([N+](=O)[O-])c2)cc1 104240794 PMZLCVDUODNRIR-UHFFFAOYSA-N 556.619 5.904 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc([N+](=O)[O-])ccc6C)o5)c(=O)n42)c2ccccc2CC3)cc1 104656904 XIXQBFILBHFBQK-IMUCPKNRSA-N 575.646 5.804 5 40 KKBB Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)oc2cc1C 105305897 BNZLTGSZSCTQKT-UHFFFAOYSA-N 529.622 6.137 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1[N+](=O)[O-] 106688922 GRQGCKUBTCAJKU-UUYOSTAYSA-N 528.539 5.047 5 40 KKBB Cc1ccc(-c2ccc(C(=O)NC(=S)N3CCN(c4ccc([N+](=O)[O-])cc4Cl)CC3)o2)cc1Cl 108176930 ONULLUDBWNEYGS-UHFFFAOYSA-N 519.410 5.307 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 110244783 NBGBKZMKOHAAFJ-YVBHXKDBSA-N 617.680 5.071 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 150368783 KTUZRTVMOQIDCS-YIECNSLDSA-N 630.078 5.782 5 40 KKBB CCc1ccc(C(=O)N2c3c(C)cccc3[C@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3C)C[C@@H]2C)cc1 163941716 FHOCGSYTEDADCO-YUDQIZAISA-N 638.189 9.469 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c2=O)=N1 164201649 ZMJXIGZKVYZUDC-QQMBNGEASA-N 799.640 5.696 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1 164554740 MLSSTYYYIOVPIC-GNZKFENCSA-N 711.752 6.225 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 214090149 VXBIEJALTYHWKH-ZVHZXABRSA-N 524.982 6.462 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214382288 RGRSOLPJHLOWBK-SRZZPIQSSA-N 525.470 5.680 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224721331 MXPFUGIGBMEMKY-FQEVSTJZSA-N 696.020 5.465 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225476706 BXRRYBJHMSQNGD-XIFFEERXSA-N 725.239 6.456 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1F 408565650 CQWCZOXVEWYRKC-XMMPIXPASA-N 512.538 5.552 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408566590 FQGMTNIKBANYCV-VFICKSILSA-N 631.321 5.758 5 40 KKBB CCOc1cc(CNc2ccc(Br)cc2C)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408607292 JRNCPTWAMAASIH-UHFFFAOYSA-N 581.217 7.140 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccccc2)cc1 408644397 RBLZGNINAJWCSG-SADWXVNCSA-N 772.208 6.501 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408690183 ZYGDCBKHNVOCEQ-TUSFPTNYSA-N 658.536 6.252 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408732908 ARFCAQMXNZIWBB-QJWUKVPRSA-N 831.810 5.838 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cn(S(=O)(=O)c6cccc([N+](=O)[O-])c6)c6ccccc56)c(=O)n42)c2ccccc2CC3)cc1OC 408770034 RYKZVFPCJDRINH-XJNHXSSVSA-N 704.786 5.436 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N1 409035882 KNLROTZYGQTNCQ-SOJUGJLBSA-N 678.163 5.736 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c2=O)=N1 409036758 BGBZAMMOVOHMET-UQDCTOEPSA-N 622.099 5.717 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409175747 BRQNSAODJZYYKV-UHFFFAOYSA-N 603.927 6.115 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)c1 409178925 KMQYXULMAJVQHO-YTTGMZPUSA-N 633.012 7.622 5 40 KKBB Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cc2)c1 409184997 ZXGUFTADIGFKJB-UHFFFAOYSA-N 531.948 6.968 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccccc2Sc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 409256614 PRGHHUDKRTVIKY-UHFFFAOYSA-N 579.656 5.597 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409270355 DPNPMTGAAGNYAB-UHFFFAOYSA-N 616.479 6.845 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(CC)ccc4o3)c(O)c2)cc1[N+](=O)[O-] 8833351 PBYNQSNZEFSJEM-UHFFFAOYSA-N 506.540 5.197 5 40 KKBB CCCCC(=O)Oc1cn(Cc2ccc(OC)cc2OC)c2nc(CCCC)n3c4ccccc4nc3c12 9243256 CKOLTVHMZMYDFC-UHFFFAOYSA-N 514.626 6.341 5 40 KKBB Cc1nn(Cc2ccc([C@H]3NC(=O)c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4N3)o2)c(C)c1[N+](=O)[O-] 97948049 DNJPQTBSYXNNIH-XMMPIXPASA-N 550.547 6.118 5 40 KKBB CCOC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(C=CC(c3ccc(C(C)C)cc3)=NN2c2ccccc2)S1 97951753 PTGFEBBVXMWZJD-LJAQVGFWSA-N 541.633 6.283 5 40 KKBB Cc1ccc(OCc2ccc(-c3nc4c5sc6nc(C(F)(F)F)cc(C)c6c5ncn4n3)o2)c([N+](=O)[O-])c1 98046136 XQVUWRFTQJDACA-UHFFFAOYSA-N 540.483 6.270 5 40 KKBB O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc([N+](=O)[O-])cc5)c(-c5ccccc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1 100041991 IHZAULOMKSKXSA-UHFFFAOYSA-N 604.626 8.951 5 40 KKBB O=C(NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 100386204 AZBHSMIFCRIAIH-UHFFFAOYSA-N 534.553 6.943 5 40 KKBB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 100528150 LWNUDGONUHHXRT-SANMLTNESA-N 553.958 5.325 5 40 KKBB COCCn1c(=N)c(-c2nc(-c3cccs3)c(NC(=O)c3ccc(C)cc3)s2)cc2c(=O)n3ccccc3nc21 101349452 ZTRDRTYEDVXDOF-UHFFFAOYSA-N 568.684 5.188 5 40 KKBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1 101658598 PCQXEBBJYXVMPZ-UHFFFAOYSA-N 592.517 8.823 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)c1 103791087 NIEOGAJKXURJTD-UDHMSBBDSA-N 601.684 5.815 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c2=O)=N1 150396071 CKJKORPNTSDBFL-ZTJHJZSNSA-N 654.572 7.177 5 40 KKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2nc(SCC(=O)n3c4c(c5ccccc53)CCCC4)sc2c1 150496432 GRLQPORMRINSBO-UHFFFAOYSA-N 645.813 7.811 5 40 KKBB Cc1cccc(CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 214639323 LLJKFHJXSPSNCH-SSDVNMTOSA-N 593.377 7.713 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224251850 UTZAICHDSXQLDF-WJOKGBTCSA-N 649.169 5.610 5 40 KKBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224413446 AVHZJOGZKAMPAK-AREMUKBSSA-N 651.569 5.357 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225009890 BKQCKOVNEQETLE-GDLZYMKVSA-N 592.718 5.046 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225014766 ANKKYCMMVNCFHW-WJOKGBTCSA-N 693.620 5.717 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225181063 OZMVOYLJGPGXJA-JOCHJYFZSA-N 657.587 5.419 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 225636889 MVTARSYRXZLRON-IZLXSDGUSA-N 541.633 5.868 5 40 KKBB COc1cc(CNc2ccc(Br)c(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408556788 KLEYQFHKVRBLEH-UHFFFAOYSA-N 508.712 6.332 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc4ccccc34)cc1)[C@H]1CCCN12 408570030 YEYRQNGQDMWVJL-KQWYEKEHSA-N 505.574 5.473 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccccc3F)c(Cl)c1)[C@@H]1CCCN12 408570071 YKSFFEJOWQISHA-UUNMANHLSA-N 542.394 5.766 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C(=O)O)n[nH]1 408633133 WFAREVSAMGBRTJ-CIAFOILYSA-N 541.010 6.411 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408634410 QWGHTBRDEUZMKG-NDENLUEZSA-N 531.377 6.658 5 40 KKBB CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 408657440 UDDFVLJQYNGERI-NDEPHWFRSA-N 670.718 8.284 5 40 KKBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccc(Cl)cc4)C(=O)[C@@]3(c3ccc(Cl)cc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])c1 408723677 ZTGOOSJWOAEYAV-HOSOATPESA-N 685.563 8.399 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408849621 XFMIARPVKZILAH-VPHSIRQSSA-N 644.662 5.194 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC 408928042 UZEWCFIZBXLHGR-DDIUQFJASA-N 622.703 5.027 5 40 KKBB COc1ccc(N(CC(=O)NCCSCc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409029091 VTHGEPAFLROBDN-UHFFFAOYSA-N 598.530 5.464 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409097560 IYYURIRNKFIJDF-JOHYPREOSA-N 699.254 6.978 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409158708 YIZHKELBAWQZCX-JAIQZWGSSA-N 540.941 5.119 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(C(=O)OCC)c4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409179672 UBPMVMWJFSGMKO-CRCYZHLCSA-N 636.082 5.105 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409196338 ZDLSDWCBZODRER-SSDVNMTOSA-N 575.824 6.839 5 40 KKBB O=C(CN1C(=O)N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O)Nc1ccccc1F 409214059 XJWQMYQNUJUXDP-YBFXNURJSA-N 544.417 5.076 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409215160 XOFXPEOVVHLYIT-SRZZPIQSSA-N 531.373 6.730 5 40 KKBB O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(N2C(=O)CS[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1822956 RJNLCBIEBIMOFL-ZEQRLZLVSA-N 522.564 5.060 5 40 KKBB COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])o2)cc1 3200265 JRCPJVMCFGUVGO-MHZLTWQESA-N 545.559 6.486 5 40 KKBB Cc1csc(Sc2ccc(C(=O)OCC(=O)NC(c3ccccc3)c3ccccc3)cc2[N+](=O)[O-])n1 3362760 YQMUIZLTIIQIIK-UHFFFAOYSA-N 519.604 5.574 5 40 KKBB C[C@H](Nc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 8443043 KKYKETVAZABVDI-IFDVCUOJSA-N 524.687 5.123 5 40 KKBB O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 24522216 FZVMOOFXXONPOU-UHFFFAOYSA-N 510.531 5.290 5 40 KKBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 98050273 GBHQIPOBEBHVDL-UHFFFAOYSA-N 536.426 5.268 5 40 KKBB Cc1ccc(N2C(=O)[C@H](c3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1C 102609697 XZAZIBRNSBYXEZ-VEEOACQBSA-N 593.481 7.699 5 40 KKBB Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 103057709 LRPOKQDLGBVXTA-UHFFFAOYSA-N 546.958 7.159 5 40 KKBB O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 103791488 OAIDWHNFVSSKPE-NULZLWRNSA-N 566.038 6.140 5 40 KKBB CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 106019028 MGXMYFRTHHVETP-IDZRBWSNSA-N 593.592 5.654 5 40 KKBB O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc(I)cc1 106753088 UWCSHEKOQDWBEZ-UUASQNMZSA-N 535.146 5.743 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 214964613 AQIROASOAXQMEF-YDZHTSKRSA-N 648.329 7.334 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223720536 XOBWNDXXSNWXKQ-ZOYWYXQUSA-N 646.741 5.484 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225253345 IBTJOBVSEOYNHI-GDLZYMKVSA-N 661.608 6.353 5 40 KKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 225379357 GDCGRAYAFBNROG-VSGBNLITSA-N 526.618 6.748 5 40 KKBB CC1=C(/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 255221227 JKQXZKUSFCKOGQ-GOFKDWQQSA-N 568.886 10.547 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)C1 260919559 MGMKJOBUQKZAJZ-OCKPKQIFSA-N 588.133 7.563 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408638211 PRMCYJOGRATKHV-SANMLTNESA-N 630.609 6.539 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408638714 DDULAOKSKPQNOZ-ZBWOKKAISA-N 720.991 6.588 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1cccc([N+](=O)[O-])c1 408642934 OJOLVMAZWPETIJ-UHFFFAOYSA-N 636.058 7.052 5 40 KKBB COc1cc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(Cl)cc3)s2)cc(OC)c1OC 408824336 IBORNRVSGVJJNN-UHFFFAOYSA-N 525.970 6.317 5 40 KKBB COc1ccc(C2=N/C(=C/c3ccccc3OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)C(=O)O2)cc1 408845226 PQOPCOLDYYEGQJ-XDHOZWIPSA-N 534.933 6.035 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 408852636 VFTXUWPEQGPIID-UNDLXJOSSA-N 641.105 6.094 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408915582 QDBIHTZETGFOOI-FUAQWRKOSA-N 726.207 6.484 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Br)cc1 408997506 MSSMMHGFUYDAFH-BIWBSIMWSA-N 634.508 5.048 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409033139 DVMHZYBRUCIMRN-BIWBSIMWSA-N 634.508 5.048 5 40 KKBB CCn1c(SCC(=O)Nc2c(C)cc(I)cc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409133653 MAVIWHNZQHLNFQ-OAQYLSRUSA-N 636.516 5.286 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409154611 ORGNJQSBGWRVJT-WSDLNYQXSA-N 564.532 5.287 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 409178524 JHMSFXPEDGZXFO-UHFFFAOYSA-N 563.349 6.852 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)c1 409180391 RWJHXRGKVRFOQZ-JGCGQSQUSA-N 677.463 7.731 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2cccc3cccnc23)n1-c1ccccc1 6194287 KKTXHNQXFNWWDC-UHFFFAOYSA-N 526.578 5.342 5 40 KKBB Cc1cc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2cccc(C(F)(F)F)c2)no1 44087827 CVBONPVYVLDUOJ-UHFFFAOYSA-N 503.462 5.494 5 40 KKBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 97980171 ZROFMDBZHNTQJE-ZHPYGUFWSA-N 575.496 7.939 5 40 KKBB CCN(CC)c1ccc2c(c1)OC(=O)N(c1ccc(Cl)c(Cl)c1)[P@]2(=Nc1ccc([N+](=O)[O-])cc1)N(CC)CC 97984292 HURZEOFNXQOCTO-LDLOPFEMSA-N 590.448 8.097 5 40 KKBB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4c5cc(C(C)(C)C)ccc5[C@H](c5cc(C(C)(C)C)ccc54)[C@H]3C2=O)c([N+](=O)[O-])c1 102387326 CQGAMSNGONRHRZ-RLQUZOAZSA-N 552.671 6.985 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 102555867 UBLRONAYKDNJFH-WFPUBZAHSA-N 555.590 5.759 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(OCc4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 102562021 ICIAMULZLRCHHA-KCHLEUMXSA-N 555.974 5.878 5 40 KKBB CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 102966424 UGLROAJLRLVFGL-UHFFFAOYSA-N 545.706 5.104 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccs1)[C@@]21C(=O)Nc2ccccc21 103541638 KUEKYYDBCBGJPW-IDSQFFPFSA-N 561.619 5.903 5 40 KKBB COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 103541774 GKACDUHCMJDVPI-HPNWTYDNSA-N 571.589 5.460 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105313443 KHFFAUMZIZISHK-UHFFFAOYSA-N 560.591 7.457 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c2=O)=N1 111470358 HZOZERJPRCYFKJ-JLKMOJGBSA-N 615.708 5.879 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1 163751215 HFGGCGSMJACMEX-QARYAGPDSA-N 695.504 5.178 5 40 KKBB CCc1ccc(C(=O)N2c3c(C)cccc3[C@@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3C)C[C@H]2C)cc1 163942105 FHOCGSYTEDADCO-DJUQAAIZSA-N 638.189 9.469 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224337749 DIPSFXZLULFTHH-HKBQPEDESA-N 632.714 5.096 5 40 KKBB CN(C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224781332 XVESCZRPHVNMAD-CONSDPRKSA-N 592.750 7.175 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225609583 SKQCQRFELGNHFO-AREMUKBSSA-N 588.488 5.845 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408567710 QZFQBPAENLKNNS-DNKZPPIMSA-N 542.419 5.493 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 408571394 OPFXHGGCWMSOBB-SANMLTNESA-N 631.524 6.964 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1ccc(F)cc1 408571940 QANFGDHTDWKEQJ-QHCPKHFHSA-N 567.857 7.364 5 40 KKBB Cc1cccc(NC(=O)COc2c(Br)cc(CNc3ccc([N+](=O)[O-])cc3)cc2Br)c1 408603876 BXAVPWQSTFPVHZ-UHFFFAOYSA-N 549.219 6.058 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 408637762 BBQDRFOCXFZEQS-ZCYQVOJMSA-N 608.434 6.275 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(F)cc1 408687541 UPASGTJDUMFGBC-WVZRZZCNSA-N 670.091 5.421 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408758406 ZODGCPUQCRLUCJ-PKYOQBLNSA-N 610.489 6.249 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1cccs1 408779420 WQFOMPZJZXSBBL-IZBTWGKQSA-N 701.533 5.240 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408850452 AHLBGYSFDNEOLL-WXKAHTKJSA-N 677.735 5.866 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@H]1c1ccc(SC)cc1 408993836 XDKNSZWTBNXYBS-GLSAMTQTSA-N 652.548 5.034 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1 409108309 ZVRJXWDGCVDGIP-KKGHXWGNSA-N 697.795 5.604 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409124389 HAZSREQNHUJXIT-LFVJCYFKSA-N 630.460 6.456 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CC1CCCCC1 409148322 YKPGTMSJNMRUAX-CIAFOILYSA-N 565.873 7.206 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409154135 FXPOFNYXZIRTCC-WSDLNYQXSA-N 534.550 5.083 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(Cl)cc1 409165678 AWINKOHBFGSELG-VXLYETTFSA-N 562.785 5.946 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 409178613 NFFHOMMISGYXBS-UHFFFAOYSA-N 515.565 7.465 5 40 KKBB CCC(=O)Nc1cc(OC)c(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl 409181061 ZXRPWUBYHPDPFL-UHFFFAOYSA-N 512.902 5.437 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409182092 IBTHBEYUSNKCSM-KAEGSSFASA-N 610.667 5.157 5 40 KKBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O)c1cccc([N+](=O)[O-])c1 409182929 QEZNSXWZXXVSOO-UHFFFAOYSA-N 532.814 5.107 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409191135 ZVHBAMXMSSYIDG-JESJEVRBSA-N 799.718 7.486 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1CCc1ccccc1 409198627 ITOUVLLSUSUTDX-HYARGMPZSA-N 514.481 6.685 5 40 KKBB CCCCCCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3C)o1)N(C(C)=O)c1ccccc1-2 2104619 PVDVUYNDEHPMGU-MUUNZHRXSA-N 559.648 7.132 5 40 KKBB COc1ccc(C(=O)Nc2cc3c(cc2[P@@](=O)(Nc2ccc([N+](=O)[O-])cc2Br)N2CCOCC2)C(C)(C)[C@@H](C)N3C)cc1OC 97984787 QSBWAVKAUZRQKC-KKOFHSDPSA-N 702.543 6.005 5 40 KKBB O=C(N1C=CN(c2ccccc2[N+](=O)[O-])[C@H]1c1nccn1-c1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100217919 UQXRZNAFGOMWLV-OVTYMREPSA-N 540.580 5.724 5 40 KKBB O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 100299985 UXDNWASICDSROQ-UHFFFAOYSA-N 518.885 5.227 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1cccc2ccccc12 101033476 JJFCGVVQZWWAOK-FMIVXFBMSA-N 535.297 5.815 5 40 KKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H](C[N+](=O)[O-])c1ccccc1 102675568 VAMMHMBTLSBKCE-CNTDHZNPSA-N 507.652 8.152 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)[C@@H]3c2ccc(OCC)cc2)cc1 102928600 OMOKKGZHHSVWMZ-JERPQPCYSA-N 610.711 6.666 5 40 KKBB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1 102987279 GAMRKUCTRNTMJB-UHFFFAOYSA-N 533.610 5.213 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1 105250971 QIHACYORTRCODQ-UHFFFAOYSA-N 534.838 6.190 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(OS(=O)(=O)c5ccc(C)c([N+](=O)[O-])c5)cc4)c(=O)n31)c1ccccc1CC2 163208196 UJJFKROWDQNXIH-UHAPOFRNSA-N 665.749 5.312 5 40 KKBB O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 164099179 GEUYSUWZTQTQCV-BHFPBWTASA-N 618.473 6.933 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)o1 223994117 WODVRCSOQNNLPJ-IZZNHLLZSA-N 529.578 5.394 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224548539 MDAHKBDIKVLFDS-NDEPHWFRSA-N 687.215 5.635 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225124153 KXIOKCINIIJSSL-UMSFTDKQSA-N 688.803 5.280 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 225653464 MKZREDVTFCCNRT-SVBPBHIXSA-N 526.622 5.090 5 40 KKBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 245285573 XRNAPTJIDRDNAA-KHJGHBQCSA-N 727.073 11.014 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 260989017 MWQLMULWXZWYKA-GDLZYMKVSA-N 627.163 5.022 5 40 KKBB COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1 408529594 MRNAMGDZMKLMNZ-UUWRZZSWSA-N 634.714 7.078 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408563945 BSKBDHALUBVRIJ-DNKZPPIMSA-N 631.321 5.711 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 408564798 AHJDPKIOMTYRDL-RUZDIDTESA-N 617.953 7.306 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)[C@@H]1CCCN12 408566330 NNYFBZOOFHUSCU-CLPFNFTISA-N 524.404 5.627 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12 408569999 KNBSEPOJTMBPGN-YFVDRESESA-N 588.458 5.758 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1ccccc1 408570333 KXVBJZCDSRXIRD-HSZRJFAPSA-N 570.425 5.936 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc2ccccc12 408573445 SWLZJPDXQSRURI-MUUNZHRXSA-N 526.618 6.427 5 40 KKBB CCn1c(S/C(=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408634707 WSHUJBBNPJVCES-QRQIAZFYSA-N 599.669 6.420 5 40 KKBB CCn1c(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C(=O)O)nnc1-c1ccc(Cl)cc1 408635066 YLFICIPJNCHEMS-PXLXIMEGSA-N 539.038 6.896 5 40 KKBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408646846 IYSPJCPNVHLSAI-FBVOFZDNSA-N 571.589 5.116 5 40 KKBB CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408777044 UHABXMAYFPDAKQ-IYVASWNSSA-N 584.492 6.497 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1cccc2ccccc12 408919050 RZHOOIAWQDACDC-HZHHUVPKSA-N 728.621 6.600 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408944392 VKYKPHOTNJJZRD-VPHSIRQSSA-N 727.033 6.489 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408992074 ZLUJCYVISFLPNH-FQWZWQHVSA-N 646.508 6.411 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 409001243 OMZSXDMFFOZWAE-WGJPBTIMSA-N 915.569 7.354 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4Cl)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409142962 SJTGQYSSMUCIQX-JBDHCHCMSA-N 604.084 5.247 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409159864 ARXUDSPHPREINB-ZCWBPALNSA-N 638.529 5.901 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409164825 OIJFUYSLPUMZSA-ZVHZXABRSA-N 612.458 6.010 5 40 KKBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O 409197182 XWSSDLKWKBAAEA-JFENUBAZSA-N 506.989 5.777 5 40 KKBB Cc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409245236 PLUDVOHFIBYRPT-AFUMVMLFSA-N 561.019 6.235 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409271879 DOULFDQQNIUHFK-FMCGGJTJSA-N 598.387 5.764 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)o1 409276253 ZLSREGWZKKNQAM-WSDLNYQXSA-N 507.524 5.155 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)o1 409389283 OBWYTULTCMDVDF-ZMOGYAJESA-N 531.546 5.522 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12C(c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)N(c2ccc(C)cc2)N=C1C 1022229 PFOGYUWCHWRXFJ-VMPREFPWSA-N 507.550 5.127 5 40 KKBB Cc1ccc2nc(NC(=O)CSc3nc4c([nH]c5ccccc54)c(=O)n3-c3ccc([N+](=O)[O-])cc3)sc2c1 2720973 JZGXXEZSVAGBJW-UHFFFAOYSA-N 542.602 5.424 5 40 KKBB O=C(OC(c1ccc(NS(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 3170763 ZQYJJPJRNKKVHO-UHFFFAOYSA-N 548.417 5.573 5 40 KKBB O=C(c1ccccc1)c1nn(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1 3849254 IJCQYWKSMCFWLI-UHFFFAOYSA-N 509.543 5.511 5 40 KKBB biogenic CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(c1ccc(C(C)C)cc1)=NN2c1ccccc1 6190770 CMPOBWCZZJJMGI-YTTGMZPUSA-N 561.667 7.257 5 40 KKBB Cc1ccc(NC(=O)CSc2nnc3c4sc5nc(CC(C)C)c6c(c5c4ncn23)CCCC6)cc1 9194123 BGZHDBPLKXEMHX-UHFFFAOYSA-N 516.696 6.004 5 40 KKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)c(C(=O)O)c5)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 12447060 HWZWGNHUAAAJTA-UHFFFAOYSA-N 515.909 6.261 5 40 KKBB Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc3sc4c(c3c2=O)CCC4)c1 12659389 NYVQXGGLZDPQTE-UHFFFAOYSA-N 506.609 5.192 5 40 KKBB Cc1cccc2c(=O)c3c(O)cc(OC(=O)[C@@H](NC(=O)OCc4ccccc4)c4ccccc4)cc3oc12 13591439 VEABXIZFGGXKBL-SANMLTNESA-N 509.514 5.533 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(CSc3ccccc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59882928 ALGCQAJPYPHFKN-UHFFFAOYSA-N 593.683 5.738 5 40 KKBB O=[N+]([O-])c1ccc(/C=C2\CCC[C@@H]3C2=NN(c2nc(-c4ccc(-c5ccccc5)cc4)cs2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 96022669 NRERLGVASAWBHW-HRPUESBKSA-N 613.699 9.095 5 40 KKBB CC(=O)c1ccc(NC(=O)CSc2nnc3c4sc5nc(CC(C)C)c6c(c5c4ncn23)CCCC6)cc1 97951464 ZQPHSHALJVHQBU-UHFFFAOYSA-N 544.706 5.898 5 40 KKBB COc1ccc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1Cn1nc(C)c([N+](=O)[O-])c1C 101027604 NUVYHXHYJBQFGQ-SANMLTNESA-N 501.587 6.336 5 40 KKBB Cn1ccnc1Sc1ccc(/C=C2/C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)O)cc1[N+](=O)[O-] 102970390 KCKLVTIYTVIANC-CWDSQJGSSA-N 528.634 6.875 5 40 KKBB O=c1c2ccc3c(=O)n(-c4ccc(-c5ccccc5)cc4)c(=O)c4ccc(c(=O)n1-c1ccc(-c5ccccc5)cc1)c2c34 103756896 JQQGFJBPGKIAJN-UHFFFAOYSA-N 570.604 6.378 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 103913899 FHLWQHUQNFHIQG-QPJBPQEWSA-N 537.622 5.548 5 40 KKBB O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 104153808 VSAVCOJRHGXMCL-UHFFFAOYSA-N 582.459 5.737 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1 104911686 WDESSIZTEIKPKV-QHHAFSJGSA-N 587.332 6.576 5 40 KKBB COc1c(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc2ccccc2c1Br 105303561 MTVDWUKUOZGISB-UHFFFAOYSA-N 563.861 5.009 5 40 KKBB O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105320401 DBULLFYSTXJGCX-UHFFFAOYSA-N 523.343 5.254 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150395626 LPDPZDJRWMOVFX-WGJPBTIMSA-N 651.697 5.429 5 40 KKBB CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1I 163769707 MPSOESKMBRVRBE-JAYSWQADSA-N 761.379 5.835 5 40 KKBB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)(C)C 225119420 UGSMHIDXHSKWPZ-KAYWLYCHSA-N 571.659 6.420 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc4ccccc4c3)c(Br)c1)[C@@H]1CCCN12 408569404 WOXJJSKQUSKMCC-RJPUKIMISA-N 584.470 6.236 5 40 KKBB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] 408667098 QBCHJKVBUDCZSA-LBPRGKRZSA-N 623.232 6.276 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408685712 QBRDEJGGXRLRMA-FZDFQQAASA-N 608.448 5.807 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 408766050 OEZVPLKYFWSSNM-CTYPWNGFSA-N 678.744 8.451 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408784947 DPKKIHMOVZRVDV-MDINZUHSSA-N 694.209 7.200 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408827999 IHHIAMIUIFAREZ-PRLWALMFSA-N 598.587 5.320 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408835629 OQMZEUTYZICADU-NULZLWRNSA-N 692.588 5.755 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408980553 FNSJUFSGLQLEER-ZDZYTSRMSA-N 670.969 6.506 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)cc3Br)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 409079280 ALPGPQMLOLEALC-ZCWBPALNSA-N 733.424 6.363 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] 409179744 SYCVKVQMYZSUHA-RUZDIDTESA-N 548.960 7.089 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409190225 QBWGCWLUDUQVAN-ISZRBDKASA-N 774.325 6.112 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409191209 DJAOTPSSDFHQCC-MDNSZFDISA-N 793.327 7.326 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409219116 NJCKSZNPLUVWRQ-XKZIYDEJSA-N 633.454 5.053 5 40 KKBB CCCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 409269210 HCSOBORWZXSSFT-NDENLUEZSA-N 549.399 5.464 5 40 KKBB CCOC(=O)c1c(-c2ccccc2)csc1N[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 2682647 SLSMSXMOFWDJGQ-OAQYLSRUSA-N 542.828 6.038 5 40 KKBB Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 6245370 MLVIRLATMJBSAI-IBGZPJMESA-N 502.600 5.524 5 40 KKBB CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)CO[P@@](=O)(O)OCC[N+](C)(C)C 36378818 LSUXCWJOIAWGOU-YMVLYFQPSA-O 520.668 5.544 5 40 KKBB biogenic,in-vitro C[C@@H]1CC2=C(N=C3SC=C(c4cccc([N+](=O)[O-])c4)N3[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 100817575 GWLCTGUEUKEYNQ-HHKZHTPISA-N 527.596 8.099 5 40 KKBB COc1cccc(/C=C2\CCCC3=C2N=C2SC=C(c4ccc([N+](=O)[O-])cc4)N2[C@@H]3c2cccc(OC)c2)c1 100929453 MJTNRKHHUGICLV-AMSOUEKYSA-N 537.641 7.592 5 40 KKBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2)c([N+](=O)[O-])c1 102849211 UKXHALDCKZKXIG-NDEPHWFRSA-N 548.555 5.198 5 40 KKBB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 102890795 BVDAAQKWCKLXRL-IARZGTGTSA-N 583.528 5.013 5 40 KKBB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2)NC(=O)c1cccc([N+](=O)[O-])c1 103083442 KIGZFOACEYQRLO-BMRADRMJSA-N 527.558 5.195 5 40 KKBB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 104580876 GCODDWNURPPSSJ-ZVHZXABRSA-N 536.628 6.962 5 40 KKBB COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107831114 AHAVQUZMJYZCLW-UHFFFAOYSA-N 541.541 5.764 5 40 KKBB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3Cl)nc2c1 112237450 WNHVRXPTSAECOP-UHFFFAOYSA-N 566.039 5.582 5 40 KKBB CCCCCOc1ccccc1[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2)N1C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 150352096 KLAXDZYINVRTAJ-JHQKSRMGSA-N 656.761 5.960 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214676246 SOCALMNJMBONLK-BUVRLJJBSA-N 533.562 5.248 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 215234331 SKSBFHNKMUGIIE-QPSGOUHRSA-N 541.925 5.409 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222888762 PEDWJMJYCZVUTJ-HHHXNRCGSA-N 635.570 5.080 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222918961 MYHMGVUOXWJHBB-YTTGMZPUSA-N 697.641 6.509 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224074315 BNDXPCFWMBUOJB-JGCGQSQUSA-N 628.751 5.265 5 40 KKBB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1C 224784304 LFCLGRZZYKMLPQ-IOWSJCHKSA-N 577.735 7.726 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)cc1 224787650 DWXGDFGCVKLTFJ-WDYNHAJCSA-N 619.555 8.885 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1Br 224946400 IQATZVLTRRTJLY-ZEQRLZLVSA-N 535.423 6.498 5 40 KKBB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)(C)C 225119302 UGSMHIDXHSKWPZ-SVBPBHIXSA-N 571.659 6.420 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225347437 XNIXZJBKNNOPGP-MGBGTMOVSA-N 642.778 5.655 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225463099 RGIMOHDELRJXAX-MHZLTWQESA-N 537.657 5.524 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260950221 UWUJJUQCPQFQGX-SSEXGKCCSA-N 675.635 6.065 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261021076 VZROMDPXRREHRA-GIGWZHCTSA-N 624.760 5.138 5 40 KKBB CO[C@@H](C)C1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3[C@H](C)O 299754513 BEZGXBMGGVINBF-SFTDATJTSA-N 612.727 6.763 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408563948 BSKBDHALUBVRIJ-UYDITSSVSA-N 631.321 5.711 5 40 KKBB CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565655 LQJWUXROMABDOO-NIDLKEISSA-N 542.817 5.203 5 40 KKBB Cc1ccc(COc2ccc(Br)cc2[C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 408569498 JIARTHJNOGSDTF-SANMLTNESA-N 567.509 6.953 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408642748 FDIHMXHEEIVVFS-OVWYZSLCSA-N 634.428 5.168 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408680245 FZOAZRCQJMFCJK-TUSFPTNYSA-N 658.536 6.252 5 40 KKBB Cc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1[N+](=O)[O-] 408684305 ORHGXXNOJAVLPH-LJQANCHMSA-N 577.204 5.319 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 408728303 JMWLFVRPURYXRA-OFRZWCKSSA-N 665.145 8.054 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408734276 WAMMJCWDMVQGHD-OCBLXXOXSA-N 748.641 7.559 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408734383 XQQFTWIPWIUULS-SZYVSPPHSA-N 675.075 6.097 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408824615 GYNLNCOGTZVFDK-MFCBUNOESA-N 608.072 5.407 5 40 KKBB O=c1/c(=C\c2c(OCc3ccc(Br)cc3)ccc3ccccc23)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408839030 LUKOEJIAGNIKJN-DEGAVRALSA-N 700.614 7.722 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1cccc2ccccc12 408846161 QWTHHGNPTNKOSW-BNUCFEHPSA-N 777.640 7.572 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)NC(c1ccccc1)c1ccccc1 408980874 GFUMSRXQITZIST-UHFFFAOYSA-N 580.647 6.003 5 40 KKBB COc1ccc(-c2cc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 409177206 DKWVIJNOFRKUGJ-SSEXGKCCSA-N 518.525 6.600 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409205712 FGBXBQHUWGOUAV-NHDPSOOVSA-N 554.968 5.509 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1 409207425 WQPWZFUAJWVRQR-JAIQZWGSSA-N 522.564 5.179 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)c1ccc(Br)cc1 409224983 LIOYVRLKESICTH-LSHDLFTRSA-N 686.256 7.850 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1 409340514 YIPCINMEQKISFE-WSDLNYQXSA-N 525.970 6.307 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2ccccc2O)c(C)c1 409412589 UJNUWKDUOFHHKY-UHFFFAOYSA-N 509.975 5.549 5 40 KKBB CC1=NN(c2nc(-c3ccccc3O)cs2)C(=O)[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)N(c2nc(-c3ccccc3O)cs2)N=C1C 1547139849 RQAQYGIIOXPHEP-PKQPGRETSA-N 679.740 6.414 5 40 KKBB COc1cc2c[n+](C)c3c4cc(OC)c(OCc5ccccc5)cc4c(OCc4ccccc4)cc3c2cc1OC 1584871 MJHVZBQYEARUBT-UHFFFAOYSA-N 546.643 7.155 5 40 KKBB O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccccc3Cl)cc2[N+](=O)[O-])c([N+](=O)[O-])c1)c1ccccc1Cl 2729549 JDYDGHWSJYMOPZ-UHFFFAOYSA-N 565.369 6.905 5 40 KKBB CCOCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)c(C)c1 6150796 KATZXQCOOGUFII-UHFFFAOYSA-N 520.431 5.344 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1)c1ccc([N+](=O)[O-])cc1 16400921 HRRZIRKIPWUHKQ-UHFFFAOYSA-N 508.384 5.225 5 40 KKBB CCOc1c(/C=C\c2cc(/C=C/c3cccc(OC)c3OCC)c([N+](=O)[O-])cc2[N+](=O)[O-])cccc1OC 16926342 DPZMSMVRPKNORN-VCFJNTAESA-N 520.538 6.658 5 40 KKBB CCCn1nc2ccccc2c1[P@@](=Nc1cc([N+](=O)[O-])ccc1OC)(Oc1cccc(Br)c1)C(C)(C)C 96022517 SEBRMAOAYITIGA-DIPNUNPCSA-N 585.439 8.076 5 40 KKBB CCCc1nc2sc3c(ncn4c(SCc5ccc(Br)cc5)nnc34)c2c2c1CCCC2 97952461 ZSEDDMMDMNBWLO-UHFFFAOYSA-N 524.513 6.773 5 40 KKBB COc1ccc(N2C(=O)C3=CCc4c5c6c7c(ccc6c6ccc(c3c46)C2=O)C(=O)N(c2ccc(OC)cc2)C(=O)[C@@H]7C=C5)cc1 100053377 BIFLOXJWLXANKQ-MUUNZHRXSA-N 604.618 6.434 5 40 KKBB COc1ccc(C(=O)N2c3ccccc3[C@H](N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)C[C@@H]2C)cc1 100693818 UKNXJQNIZVYFFY-AYSGYYFFSA-N 547.611 6.830 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2cc(Br)ccc2O)n1-c1cccc([N+](=O)[O-])c1 102462806 DDXNHUJERLTZQG-RUDMXATFSA-N 590.171 5.537 5 40 KKBB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 103008073 SPWPELVAAABPRK-UHFFFAOYSA-N 561.597 5.382 5 40 KKBB COc1cc(-c2nc3cc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)ccc3o2)cc(OC)c1OC 104222690 UZIPZYXLIVEWEV-UHFFFAOYSA-N 539.953 6.549 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 150353476 MXKIXYCFJMRNQP-UHFFFAOYSA-N 879.754 5.205 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@]1(c3ccc(Cl)cc3)C(=O)[C@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 150365212 ALQYNJMXOUJUNP-UDKDVIIMSA-N 671.536 8.091 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(SC)cc1 163700774 KHQSGKYURCFXRL-PNZYDNNZSA-N 640.537 5.451 5 40 KKBB CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 214893730 IDASTPVDGILOFD-MFKUBSTISA-N 531.590 5.972 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 225047368 JBXWDFZEELKVKP-LJAQVGFWSA-N 661.608 5.675 5 40 KKBB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 225359965 KOVNHBYBTZKJMB-UIOOFZCWSA-N 500.580 6.214 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 408565478 CAHIPJIRQNGBEI-HHHXNRCGSA-N 597.535 7.043 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408566236 NJKRJMDAHKLERR-PBPLDAPSSA-N 554.430 5.636 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12 408569997 KNBSEPOJTMBPGN-ULDMULJASA-N 588.458 5.758 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408641948 DLRZYFBVFNQODJ-DZUWIXTPSA-N 712.114 6.600 5 40 KKBB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1[N+](=O)[O-] 408644129 DEHSZUVVAUOMSR-UHFFFAOYSA-N 510.333 6.221 5 40 KKBB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408667985 QQWQLZSYKIECIG-ZDUSSCGKSA-N 815.063 7.021 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)cc1 408822949 CZPSXIRSVQPEKS-MRWVFDTMSA-N 606.704 5.326 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl 408838154 CMNBKVLWAUJKOA-YBFXNURJSA-N 653.521 8.602 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cccs1 408915722 QUUCFVDBPZZRIZ-KMCFWPMWSA-N 646.750 5.908 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c2=O)=N1 408927219 OVUMKOQDFNMCAU-IGSWSUAKSA-N 584.075 5.462 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408951701 UWBSJFRXURYQOQ-IBGAUWDRSA-N 634.881 5.545 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409032682 MHXIUUPFXNYIEG-FZEVDNDPSA-N 712.608 6.388 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c2=O)=N1 409034701 QTIMARDMJZSRLJ-QARYAGPDSA-N 695.504 5.178 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409103714 BLNGJQOZCBPCKS-DFXMODJXSA-N 636.730 5.742 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 409148389 YKVWLQBETNHRRK-UHFFFAOYSA-N 547.589 5.113 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 409182011 HNCYODBHZKNVRK-AREMUKBSSA-N 575.360 6.483 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409269279 ANSACJKJXNQMHX-KEBDBYFISA-N 513.871 5.336 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1F 409272457 GUQTYDQIXCZXTL-ZVBGSRNCSA-N 579.459 6.359 5 40 KKBB CCOc1c(I)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 409369085 BBXOWHLSNIIPCE-UHFFFAOYSA-N 561.328 5.217 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21)c1cccc([N+](=O)[O-])c1 8426137 QFNUMOYWXUNSHZ-GDNVMHJUSA-N 637.442 5.538 5 40 KKBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c2ccccc2)c([N+](=O)[O-])c1 12543004 NTCPBWPGAYXBNC-DEOSSOPVSA-N 518.957 5.647 5 40 KKBB COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c(C[C@@H](C)OC(=O)c6ccccc6)c(c(c1C[C@H](C)OC(=O)Oc1ccc(O)cc1)c23)c54 85481774 LSUTUUOITDQYNO-RTWAWAEBSA-N 790.774 6.981 5 40 KKBB in-vitro O=c1/c(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 100958388 RTWLAKSOYPEURA-HRIDGTDGSA-N 599.590 6.506 5 40 KKBB Cc1ccccc1NC(=O)c1c(C)nc2sc(C(=O)c3ccc([N+](=O)[O-])cc3)c(N)c2c1-c1ccc(C(C)C)cc1 102609856 AVIQCVDLMMIDCU-UHFFFAOYSA-N 564.667 7.677 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 102955979 RVJNPKVPCKOEAF-IOGDKGLISA-N 540.834 7.992 5 40 KKBB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 105311056 ZHGZIISXFURAQH-UHFFFAOYSA-N 545.621 5.788 5 40 KKBB Cc1ccc(-c2csc(NC(=O)CSc3nnc(COc4ccccc4Cl)n3C)n2)cc1[N+](=O)[O-] 138592682 YLCLABMZUVUINQ-UHFFFAOYSA-N 531.019 5.118 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 214130140 TUDOZMCCKNFBDH-SRZZPIQSSA-N 534.899 7.296 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)C 224114932 VBQZZIZEOUEGKE-SXOMAYOGSA-N 541.633 6.330 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224200258 ZKPYPSZTKZMGGT-YTTGMZPUSA-N 642.778 5.653 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224458881 QBHAKXDJPUAZOA-MUUNZHRXSA-N 647.581 5.963 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)c1 224819413 HHKLJLLNLQDSDP-JWQCQUIFSA-N 502.552 5.444 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)o2)cc1 225384072 IHUWKCMEINVIBP-VSGBNLITSA-N 526.618 6.748 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260986220 BVXRMNCQAKEIRX-WJVKJDHCSA-N 686.831 5.970 5 40 KKBB Cc1noc(/C=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)c1[N+](=O)[O-] 408544539 UOYHEIFCGHNIBX-UTCJRWHESA-N 514.210 6.543 5 40 KKBB CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OCC 408565615 CNUXRYYGZBESIS-HXUWFJFHSA-N 507.410 5.246 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408565667 LRFPMOMNMOKXBZ-SQOVJYTMSA-N 572.843 5.212 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1Cl 408569482 JEEQEXHHXICCQN-SANMLTNESA-N 631.980 7.696 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OC)c(OCC)c2)cc1 408570317 KWXDNBCYCAIDLG-HXUWFJFHSA-N 537.436 5.254 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 408570937 MKJFOKMVFAOOFR-QHCPKHFHSA-N 563.438 6.719 5 40 KKBB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408608441 LOSFQZSNIMSCBU-UHFFFAOYSA-N 501.333 5.645 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(Cl)cc1 408645214 HTUALBOHMTWGLK-AGTZKDDFSA-N 592.007 5.381 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408730184 FXXYMZFYOSOWIZ-CTGRGZOBSA-N 690.664 6.241 5 40 KKBB Cc1cc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(Br)cc3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C 408757903 SBPWYWSCBYNQCB-OIUASMPBSA-N 638.543 6.866 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)cc1 409033978 MUCDLLXJXCHXQS-LCQSEVKBSA-N 587.654 5.062 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 409179224 NZUYHNLMGVTDNC-UHFFFAOYSA-N 524.573 7.294 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409197399 DOTMEPYXULRWDE-ZVBGSRNCSA-N 579.425 5.180 5 40 KKBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O 409204204 DLXHBBVBZFJHLZ-YVJZOELXSA-N 579.425 5.323 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccccc1Cl 409237877 XREBEYVPYATCKH-ZMOGYAJESA-N 546.992 5.926 5 40 KKBB COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br 1311057 SOBMLYLWTNXPKK-ZNZIZOMTSA-N 574.387 5.570 5 40 KKBB CCn1c2ccccc2c2cc(NC(=O)COc3ccc4c(c3)c3ccnc5c6ccc(OC)c(OC)c6c(=O)n4c35)ccc21 70708391 CFYGHMORIFKMML-UHFFFAOYSA-N 596.643 6.754 5 40 KKBB biogenic Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(Cl)cc1Cl)N1C=Cc3ccccc3[C@@H]21 97954247 BFCHFVQHFQCYDZ-NDBXHCKUSA-N 548.382 5.608 5 40 KKBB CCn1c2ccccc2c2cc([P@@](=Nc3cc([N+](=O)[O-])ccc3Br)(Oc3cccc(Br)c3)C(C)(C)C)ccc21 97984388 RQGNWOASRBPCCA-LDLOPFEMSA-N 669.354 10.198 5 40 KKBB O=c1/c(=C\c2cc(Br)cc([N+](=O)[O-])c2O)sc2n1[C@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 100956981 XWGCVQOWTHEMRH-SEXPAEGTSA-N 594.874 5.348 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 104230586 LLJOFFRUCRKFQX-GYRAYZOKSA-N 619.029 5.298 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)cc1[N+](=O)[O-] 105026077 GLFKZKLAPGHTDG-UHFFFAOYSA-N 547.641 5.009 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306126 YMVMJJXMIZGGEJ-UHFFFAOYSA-N 580.464 6.283 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306169 PCXACTIWMXXJPO-UHFFFAOYSA-N 614.909 6.936 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)c(C)c1 105314166 GCIXFTOGUJVQGD-UHFFFAOYSA-N 600.749 5.909 5 40 KKBB O=C(Nc1cc(Oc2ccc(C3CCCCC3)cc2)ccc1C(F)(F)F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105472589 DZWQAOPUXSMXQC-UHFFFAOYSA-N 569.580 7.543 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 105497218 MRAJUQJRLPJOKT-UNDLXJOSSA-N 564.663 5.122 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 106716191 HDFLTRZHAATWOY-KSEXSDGBSA-N 588.425 6.164 5 40 KKBB CC[C@@]1(C)Cc2c(sc3c2c2nnc(SCC(=O)NC(c4ccccc4)c4ccccc4)n2c2nnc(SCC(=O)NC(c4ccccc4)c4ccccc4)n32)CO1 150544138 LFDUJAMHRYWXJB-SJARJILFSA-N 825.058 8.224 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n31)c1ccccc1CC2 163200863 ZOJYUJBFCGXDRJ-YEFJUXFDSA-N 712.831 8.360 5 40 KKBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 225105340 NBAWRSQXGWKUFQ-GDLZYMKVSA-N 561.704 5.536 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 253374792 NNMUSNAJXQOONC-XKEBTDTJSA-N 599.643 6.364 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(F)cc1 408577297 YZMIDGAIIPHIEF-DEOSSOPVSA-N 512.538 5.552 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)O)o2)c1 408631339 DJMRZRHKUGILPB-KSEXSDGBSA-N 535.534 5.459 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1 408778366 SGDJQTBSZZOOST-ARLGEPFESA-N 617.465 5.949 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1Cl 408826585 JXPOWXDJWBLUEH-ZFWDJNJRSA-N 841.849 6.148 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)cc1 408926939 VATIHWOLGSVQCS-VYQNWNTASA-N 726.880 7.942 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)c(OC)c1 408977866 KIEMJXMAPKWUSM-JLKMOJGBSA-N 622.659 5.059 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408986177 OIRFZIBWKYNOHS-VCLSCOGJSA-N 786.657 6.211 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408990419 VSFVBFOBFJTBOD-VEOKEAFVSA-N 882.527 6.807 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408990781 LZWZFOWNBACTEZ-RRWAGRPKSA-N 770.911 9.092 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409105933 PKRMHGXNGHYHRT-BJYVYPIYSA-N 693.807 5.922 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409143878 OCRIJYGOUOGDGN-NULZLWRNSA-N 652.733 5.479 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409225735 KQTIBDVPZZMDDJ-WSDLNYQXSA-N 599.381 5.188 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1c1cccc(Cl)c1 409270980 SJXBXFRLNRKMFU-UKWGHVSLSA-N 599.768 8.063 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409273803 SVRFBYXTFRWQOJ-AFUMVMLFSA-N 547.589 5.474 5 40 KKBB O=C1c2ccc3c4c(N5CCCCC5)cc5c(=O)n(CCN6CCCCC6)c(=O)c6cc7c(CCN8CCCCC8)cc8cc(c2c3c8c7c4c56)C(=O)[C@@H]1CCN1CCCCC1 1570009232 LSZJFUJIXFCHFG-DIPNUNPCSA-N 830.086 8.817 5 40 KKBB CCCCc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 1900963 JNSTVTZNCGXTDM-JGCGQSQUSA-N 581.680 8.227 5 40 KKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2cc(Cl)cc(Cl)c2)cc1 2256553 YNTIJDRMLWXKFC-UHFFFAOYSA-N 500.389 6.256 5 40 KKBB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 12749270 RAVPQDJFEQMYBS-HNNXBMFYSA-N 518.986 6.097 5 40 KKBB CC[C@@]1(C)Cc2c(sc3nc(SC)n4c(SCC(=O)c5ccc([N+](=O)[O-])cc5)nnc4c23)CO1 13555887 ROOMVTFEJZPEKB-QFIPXVFZSA-N 515.642 5.186 5 40 KKBB C[C@H]1CCCN(c2ccc(C(=O)O[C@H](C)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2[N+](=O)[O-])C1 36432025 GJKCBSAQXCDIKP-QWHCGFSZSA-N 514.793 5.975 5 40 KKBB O=C(c1sc2c([N+](=O)[O-])cccc2c1Cl)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317336 FPLHBPOWTZUBLT-UHFFFAOYSA-N 508.280 5.635 5 40 KKBB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc(Cl)c([N+](=O)[O-])c1 96022037 HHPZUPKHMUUNMB-UHFFFAOYSA-N 526.018 6.342 5 40 KKBB O=C(Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCCCC1 97951406 GQBBFXLUYDFUMQ-UHFFFAOYSA-N 539.082 7.642 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(F)c1F 100369544 UJDWXRJLAUNQSU-GRSHGNNSSA-N 579.965 6.492 5 40 KKBB Cc1ccc2oc3cc(NCCN4CCN(Cc5ccccc5)CC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 100921030 IKRLFDJRQAEMJG-UHFFFAOYSA-N 544.655 5.479 5 40 KKBB O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)N(Cc2ncc(-c3ccc(Cl)cc3)o2)Cc2ncc(-c3ccc(Cl)cc3)o2)cc1 102771273 ZFRVEVAMSGVQLR-GIGWZHCTSA-N 595.439 6.308 5 40 KKBB O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 102896825 BBUWHNWAKLCWMN-PVHODMMVSA-N 569.957 5.519 5 40 KKBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1 104086856 TZCNHUJNGGEFCH-UHFFFAOYSA-N 578.069 5.462 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 106724350 HESZHUNDOVKQBZ-OYKKKHCWSA-N 569.433 6.572 5 40 KKBB O=C1S/C(=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)N1c1ccccc1 147251232 AXFLXJDYPFUTDX-XHLNEMQHSA-N 543.604 7.960 5 40 KKBB COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2ccc([N+](=O)[O-])cc2)cc1 150472151 BBQMDLZUNSLQPG-XMMPIXPASA-N 643.707 5.239 5 40 KKBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 158658327 TWLXATQGOYEXDY-QQTULTPQSA-N 666.731 6.449 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 205700216 SMXNXTKRHVKLMA-WSDLNYQXSA-N 636.851 6.677 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222436400 JWQHFIZDLJHZTE-SANMLTNESA-N 645.178 5.401 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223516098 RBVXHSVPLUOLGQ-MHZLTWQESA-N 679.623 6.136 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(F)c(Cl)c3)cc2)cc1 224766287 BLVWHXFJNVJPJI-VMPREFPWSA-N 602.116 7.901 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc(Cl)c3)cc2)cc1 224766681 MEAAROIYIIYQQS-VMPREFPWSA-N 584.126 7.762 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 225001612 IKGRKPPTZWAPNJ-LJAQVGFWSA-N 671.614 5.131 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225466908 LOPDCVKHWXSGQO-JGCGQSQUSA-N 646.741 5.486 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229652904 IUMWQSBZCGWYSD-RPWYQEBTSA-N 597.671 6.775 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 247335427 QLVSTNCGMUSMBH-TVXPCSCSSA-N 547.592 5.638 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733341 GZPDVQXMSRFOII-QQMBNGEASA-N 656.116 6.199 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733709 OSBGVXHYNCKCNN-LRAMOIDDSA-N 668.522 5.055 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)c1 408769539 NPXWXFIGOHKSTM-OIUASMPBSA-N 790.490 6.895 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408824493 QOHHELKQQZBYJH-UPWSPCOFSA-N 747.451 6.754 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 408916359 WPPZRHIAZSCDPE-OINPTKSXSA-N 658.157 6.138 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408992707 BDUJVBFOAZHCPY-QZVQSRICSA-N 819.699 6.758 5 40 KKBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409099070 PWYQZWJBQLBTSU-GIJQJNRQSA-N 614.268 5.687 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1CC1CCCCC1 409123972 GEPLCPVHZPXMME-CIAFOILYSA-N 506.502 7.023 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409196897 RXNNRCSFJFSYIZ-JVWAILMASA-N 667.538 5.330 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1-c1nc(O)c2ccccc2n1 409262696 IQDLRUXPRQCLJK-UHFFFAOYSA-N 506.234 6.484 5 40 KKBB CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)C1 409331917 FJDIZJYCLMVPAI-SFHVURJKSA-N 523.666 5.157 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 839691 RGWFFWNLRHNEBK-UHFFFAOYSA-N 513.881 5.101 5 40 KKBB COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccccc5)cc([N+](=O)[O-])c4)c(Cl)c3N2)cc1 1818950 SEDJFKVBFJEBFV-FCHUYYIVSA-N 587.942 7.158 5 40 KKBB CC(C)[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 2068042 WQORDRCQBZHMHR-GOSISDBHSA-N 548.162 5.255 5 40 KKBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Nc3ccccc3)cc2)c1 8997046 ZQFGETWRRQSXRZ-UHFFFAOYSA-N 512.551 5.826 5 40 KKBB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl 14278484 BJQCMERJRCQPCZ-UHFFFAOYSA-N 506.950 5.152 5 40 KKBB Cc1ccc([P@@](=Nc2cc([N+](=O)[O-])ccc2Br)(Oc2cccc3cccnc23)C(C)(C)C)o1 96022802 KPOWJJRDTXTEIB-MGBGTMOVSA-N 528.343 7.758 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 97983821 BKOYERJOPBZSCY-VRTHLOKNSA-N 534.663 5.991 5 40 KKBB C[C@@H](CCc1ccccc1)Nc1cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] 100233266 DWCFOMXOFALYAM-FQEVSTJZSA-N 537.458 5.753 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 102191065 WKIVEZKDGCBOBQ-WQDCPGLISA-N 597.671 6.649 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(C)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1 104656849 LPFYHYNKGQSGMX-NBQDTTAVSA-N 575.646 5.804 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106727590 DSFNDMMBUFRZBY-MTJSOVHGSA-N 522.495 5.326 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150395722 OZSHRFLDBOOXNK-FABFSAKGSA-N 716.566 5.884 5 40 KKBB COc1ccccc1-n1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 150408605 JUEZXDQUHBYUIA-UHFFFAOYSA-N 620.997 5.517 5 40 KKBB COc1ccccc1-n1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(C)cc1 150408873 SGQJWFDLRBJSKF-HHHXNRCGSA-N 667.773 5.954 5 40 KKBB Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2cccc(C)c2C)cc1 150411012 SRDYOZQLXOLMBZ-GDLZYMKVSA-N 665.801 6.562 5 40 KKBB O=C(Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 150484688 PVGWETICMNLIJU-OYBDOCOOSA-N 661.523 6.735 5 40 KKBB Cc1ccc(-c2csc(NC(=O)CSc3nnc([C@H](NC(=O)c4cccc([N+](=O)[O-])c4)C(C)C)n3C)n2)cc1 166334715 MIAWJNHILMHNGQ-JOCHJYFZSA-N 565.681 5.013 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214772008 QDVACZGRHMIJBL-UFFVCSGVSA-N 569.344 7.949 5 40 KKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1 224647657 PRPJKKLHSRCPSE-URLMMPGGSA-N 533.613 6.750 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)cc1 224787501 QFQPHKLVNQIRGW-URLMMPGGSA-N 619.555 8.885 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 225226151 PJPSTMGHKICRPK-CLJLJLNGSA-N 529.578 5.012 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 408573665 UAJGJTOTQLACBE-VWLOTQADSA-N 583.508 6.653 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408734603 ZJYKUNRCZMCZFI-TZUCAZQYSA-N 654.657 5.752 5 40 KKBB CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 408752751 JXCAUFZJCCAYHU-BONBFMHJSA-N 500.554 6.007 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408825726 FRGNQCIDWBEOOX-LWUPDDLQSA-N 644.027 5.481 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917862 CBAXYXOUTGGGAB-SRZZPIQSSA-N 622.266 7.074 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409039341 QLVMAQRKEMOQSV-SOJUGJLBSA-N 752.640 5.852 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)cc1 409085833 SNLIHMDXYPRSKS-HRIDGTDGSA-N 671.529 5.813 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 409099740 TVMZLLCKTZAQGY-CVKSISIWSA-N 556.600 5.672 5 40 KKBB CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409103337 YBMWQPQTKMOBJW-CXUHLZMHSA-N 542.205 5.755 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cccs1 409189892 UNTIISAKHFPHFQ-CYGYJLBOSA-N 755.303 6.988 5 40 KKBB O=C(NCCn1cc(SCc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccc(Cl)cc1Cl 9391946 LRTUALPEBUBZSK-UHFFFAOYSA-N 500.407 6.579 5 40 KKBB O=C(C[C@@H](c1ccccc1)[C@@H](C(=O)c1ccccc1)[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1 33355115 QFFRUDKBZNZJIJ-PPFXRVHHSA-N 554.646 8.304 5 40 KKBB O=[N+]([O-])c1ccc2nc(SCc3ccc(CSc4nc5ccc([N+](=O)[O-])cc5s4)cc3)sc2c1 102448343 HXVNIPWUHYDGPY-UHFFFAOYSA-N 526.646 7.307 5 40 KKBB O=[N+]([O-])c1ccc(N=[P@](c2ccccc2)([C@@H]2CCCC=C2N2CCOCC2)N2CCN(c3ccccc3)CC2)cc1 102919367 FYXDJQFXSRYRLG-FICSEENJSA-N 571.662 6.259 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 103754374 WBYIULSBECRKLM-ZHGFHMGHSA-N 623.712 5.826 5 40 KKBB O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 105222682 UGZBOVGVDCOWNM-UHFFFAOYSA-N 518.765 7.830 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 107927567 VGXLDDOTWFQWKR-UHFFFAOYSA-N 604.788 5.750 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 150466397 LPAFENXRAJYTDQ-QFEZKATASA-N 654.336 8.089 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 161912970 JRIHTSDJLBWKFR-UHFFFAOYSA-N 630.524 7.436 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 197831151 LHMMMLBZWYKJKF-UHFFFAOYSA-N 729.111 5.919 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224404870 SPKCTWIQPQRETO-XIFFEERXSA-N 690.794 5.801 5 40 KKBB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1OC 225305811 FHYKPBALKUTDLJ-SXOMAYOGSA-N 559.604 5.020 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 225556425 CLJFJNFOGPOIPX-NSOVKSMOSA-N 540.649 5.344 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)o1 226364011 MFWBPIMEHPLYNX-UKTHLTGXSA-N 504.951 7.360 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408565452 KTNWDKGOXZTCTO-ZVFGGPEJSA-N 612.908 6.135 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccccc3F)c(Cl)c1)[C@@H]1CCCN12 408570068 YKSFFEJOWQISHA-CWWSAELMSA-N 542.394 5.766 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)cc1 408577466 ZOZORXBSPNTKSF-VWLOTQADSA-N 508.575 5.803 5 40 KKBB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(/Sc1nnc(-c2cc(Cl)ccc2OC)o1)C(=O)O 408632447 IWYSLSCYVKXQMM-YBFXNURJSA-N 504.952 5.371 5 40 KKBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408668976 RPGBWWFTHILWIY-GFCCVEGCSA-N 623.232 6.276 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408682190 JDNCFRCZDFWOTD-FZDFQQAASA-N 598.442 6.351 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 408823001 BZVBNWIUPKDHPH-DDIUQFJASA-N 698.595 6.510 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408827903 HWRAOGAHCAMWMM-VLOXRPPESA-N 603.962 5.162 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 408828069 VQHLWIMLFDAUDX-ORVZPOCUSA-N 638.529 5.901 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409045493 PSJKVCYVYDHFRQ-PIXWUVMMSA-N 638.098 5.416 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 409053707 HFHXLDZPTWOWAR-QRVIBDJDSA-N 642.484 5.101 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409076262 AIEBSKWLNYUBKH-FSEOGBMLSA-N 702.967 5.790 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1Cc1ccccc1 409115750 KIGLYCKIHPBFQG-UMSFTDKQSA-N 590.079 8.189 5 40 KKBB CCOc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1OC 409125741 KBZYKYWCTNMNNJ-PMERELPUSA-N 523.589 6.364 5 40 KKBB CCCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1OC 409164715 MRTOVBHDWXSUHM-JLHDDXNDSA-N 631.707 5.462 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)ccc1Cl 409171224 YULGPJKIVQTIRP-BRJLIKDPSA-N 756.937 8.454 5 40 KKBB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409176401 MMERMJWENNNZEI-NDEPHWFRSA-N 529.570 5.658 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409258381 TUOKVCGEYQMAGR-YSURURNPSA-N 646.903 6.582 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccccc1Br 409328284 RGDQTMDGFKQXTL-VXLYETTFSA-N 607.236 6.055 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)o2)cc([N+](=O)[O-])c1C 409343674 FTGQFRRVVSNXIE-SRZZPIQSSA-N 556.394 5.909 5 40 KKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)c(Cl)c3)c2ncn1Cc1ccc(Cl)cc1 2251100 VUOIXIWYPFXHEE-UHFFFAOYSA-N 506.780 6.292 5 40 KKBB O=c1c2ccc3c(=O)n4c5cccc6cccc(nc4c4ccc(c2c34)c2nc3cccc4cccc(c43)n12)c65 8927021 HCUQQJJLNLDLNN-UHFFFAOYSA-N 512.528 6.650 5 40 KKBB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 13557591 SEDVAGLXORMEAH-NSYGIPOTSA-N 503.551 5.510 5 40 KKBB Cn1ccc(=Nc2ccc(NC(=O)c3ccc(/N=c4\ccn(C)c5ccc([N+](=O)[O-])cc45)cc3)cc2)cc1 18057104 SDVVSJQTYKFAFR-TVKQRKNISA-N 504.550 5.142 5 40 KKBB CN1CCc2c(sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2-c2nc3ccccc3s2)C1 19942367 LFXWOVCYMBOCPQ-UHFFFAOYSA-N 506.634 6.388 5 40 KKBB CCCN(CCC)C(=S)Sc1nc(C)nc(N2CCN(c3nc(C)nc(SC(=S)N(CCC)CCC)c3[N+](=O)[O-])CC2)c1[N+](=O)[O-] 59365284 SSPQQHSNNOMMED-UHFFFAOYSA-N 710.978 6.024 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 97949239 AWTOWUGNJIDAFZ-GGAORHGYSA-N 681.263 8.021 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@@H]5CCCN(S(=O)(=O)c6ccc(Cl)cc6)C5)nc34)c12 98046160 GKZMPLYOLOQGNX-CYBMUJFWSA-N 549.028 5.355 5 40 KKBB O=C1[C@@H]2[C@H]3C[C@H]([C@H]2C(=O)N1c1cccc(C(F)(F)F)c1)[C@H]1[C@H]3Sc2[nH]c(=O)sc2[C@H]1c1cccc([N+](=O)[O-])c1 100971690 YDFNPRCPBPZTAW-BEZVJNGGSA-N 573.574 5.041 5 40 KKBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105311653 QUNRYXOFYOHOPY-UHFFFAOYSA-N 586.526 7.295 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)c(C)c1 105314195 YPAUGHNSNGZLPA-UHFFFAOYSA-N 586.722 5.519 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 150385999 TWYKXYROSADKOE-LSHDLFTRSA-N 624.296 7.488 5 40 KKBB Cc1ccc(N(CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 195530762 INBSKBUAAJTFLE-MMOPVJDHSA-N 508.040 5.001 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 205751076 XDHCIBYMQXIOPN-YDZHTSKRSA-N 602.406 6.024 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224251989 BZWLZVNXPDWFPV-WJOKGBTCSA-N 649.169 5.610 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224673227 SQZBKTKILMTQIQ-HHHXNRCGSA-N 601.125 5.023 5 40 KKBB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@@H]3CC[C@@]12C 253537501 HWWNKOPGLSAYEI-UOQDHYJASA-N 535.769 9.162 5 40 KKBB biogenic,in-vitro COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408564461 CZXSVYHGKARFFI-NUWWLQTNSA-N 598.881 5.745 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408567807 RJQDBXVIJFBWEO-RVBRUHEGSA-N 558.432 5.703 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 408569487 JESPTUZJZUUEJZ-RUZDIDTESA-N 599.507 6.435 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408686918 SRHXWWKASDSZDD-SNINSWTHSA-N 692.981 6.906 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 408755096 BMLCPCGOHSNHJB-UNDLXJOSSA-N 561.619 5.496 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c2=O)=N1 408865657 BRQMOTFQBSVHBK-FUFNRSNVSA-N 638.098 5.417 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 408927970 ZBQUCDSLUMVBMY-PKYOQBLNSA-N 615.733 5.396 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409034494 HGPVWZGIZVNLMF-RIFKOAFWSA-N 722.216 6.133 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c2=O)=N1 409040400 UCARUDHIONDBSD-OCEWKHMESA-N 634.508 5.048 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409051909 DAKSOAOFWYYPAJ-UCQKPKSFSA-N 603.422 6.199 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC 409108139 VGOYPHXPBBCVND-DUCIMOQJSA-N 649.773 5.332 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)ccc1Cl 409167186 HNERCQDCGOKRLJ-LQKURTRISA-N 668.124 6.858 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409184171 XRRKSWFNYMBMOL-MFKUBSTISA-N 640.512 6.572 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409200346 KXWKSHNHHGLSKN-UFFVCSGVSA-N 568.526 6.040 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409251770 WCAWAVYDXDGFJI-WYMPLXKRSA-N 646.903 6.663 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1cccc2ccccc12 409253731 BXOSWWQEPCBURZ-DHRITJCHSA-N 672.435 7.997 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409273083 PNJHIHCKBUNFDQ-USDTVRPUSA-N 683.625 5.494 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)cc1F 409273773 SKCVHIDPMRZSAW-JJFYIABZSA-N 525.489 5.127 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409350907 WEWLPLCEOVZYJH-UQDCTOEPSA-N 604.084 5.247 5 40 KKBB CCOc1c(Br)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 409368467 XFTOLXJZOMPKLP-UHFFFAOYSA-N 514.328 5.375 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2055838 WWJKLEWILCISQL-UHFFFAOYSA-N 513.912 7.647 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8899977 GIMXLPCASXIUCZ-UHFFFAOYSA-N 512.953 7.062 5 40 KKBB O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@@]3(S2)c2ccccc2C(c2ccc(Cl)cc2)=NN3c2ccccc2)cc1 33353241 FNVNKAZVSCHEFN-MGBGTMOVSA-N 588.092 8.246 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 100231653 QCGSJGQUAHKSOK-JAIQZWGSSA-N 547.467 5.557 5 40 KKBB Cc1ccc(-n2c(C)c3c(c2C)[P@](=Nc2cc([N+](=O)[O-])ccc2C)(N2CCOCC2)N(c2ccccc2)N=C3)cc1 102937882 VGXQHMYLPRLVSF-RWYGWLOXSA-N 568.618 6.794 5 40 KKBB COc1cc2c(cc1NC(=O)[C@@H](C)N1CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC1)oc1ccccc12 102987554 FEUXSHLLGPZATO-MRXNPFEDSA-N 542.514 5.671 5 40 KKBB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Br)cc1 105576386 LZRQIQDVWCFRFG-UHFFFAOYSA-N 514.788 7.054 5 40 KKBB CC(C)(C)c1ccc(OCCOc2cc(Br)ccc2/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 106745425 DQSYCNYQOFIONB-QQXSKIMKSA-N 611.514 7.349 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Br)c(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1OC 163289862 DQBLWTDGMJCTSB-SXDQJOKOSA-N 789.502 7.348 5 40 KKBB CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)ccc1Cl 205700036 KWMYNVHNDHWFGW-CIAFOILYSA-N 512.927 5.921 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215001397 VUBWDJWOQVEOBE-SRZZPIQSSA-N 522.451 5.440 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223857089 GYSZYGSCGBXMPJ-NIYFSFCBSA-N 542.463 5.999 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 261000131 PTEPQVDZYNDCQT-AREMUKBSSA-N 665.596 5.231 5 40 KKBB Cc1ccc(COc2ccc(Br)cc2[C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1 408575017 VMPCZCIIFOWISG-DEOSSOPVSA-N 557.445 6.475 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408690103 ZRKZAZMNMHJYGI-FZDFQQAASA-N 563.997 5.698 5 40 KKBB CN(C)c1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408758234 XDFXTAOYCGPFKZ-UHFFFAOYSA-N 531.366 6.121 5 40 KKBB Cc1cccc(COc2c(Cl)cc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)c1 408918643 NDUAUQRGECRUMW-WSDLNYQXSA-N 529.401 7.026 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n21 408950659 UBVSYEUNJWIKDA-SZYVSPPHSA-N 678.561 5.445 5 40 KKBB CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409134584 WHXPYRSFKQLPTO-HXUWFJFHSA-N 551.456 5.371 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1CC1CCCCC1 409142446 LLDCADKCJOCXPQ-LPYMAVHISA-N 531.428 6.553 5 40 KKBB Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C(=O)OCc4cccc([N+](=O)[O-])c4)cc2)C3=O)cc1C 409179449 NWVYFGOQFXKEEL-UHFFFAOYSA-N 522.513 6.162 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409198897 MJOALSOSGNCNDV-WYMPLXKRSA-N 646.903 6.663 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409271309 UPEGLOMRBJTRAG-SSDVNMTOSA-N 539.953 5.515 5 40 KKBB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 1839741 SOPXDCSUUREGOM-UHFFFAOYSA-N 524.960 7.921 5 40 KKBB COc1ccc(C(=O)c2c(O)n(-c3ccc(C(C)C)cc3)c3nc(-c4ccc(OC)cc4)[n+]4c5ccccc5sc4c23)cc1 3236441 AZGMCACHOQYUJS-UHFFFAOYSA-O 600.720 7.723 5 40 KKBB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 13839301 BHHMCIPFHJIFBA-UHFFFAOYSA-N 500.388 7.645 5 40 KKBB Cc1c(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)cc2)cccc1[N+](=O)[O-] 22830227 YSVDQUFHFXYSFW-UHFFFAOYSA-N 506.431 5.178 5 40 KKBB O=C(COc1ccc2ccccc2c1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 97971241 KVXLJZCGSZZNQV-SPELTNJGSA-N 562.582 6.858 5 40 KKBB O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccccc4)c4ccccc4c3=O)c2)CC1 100368918 PFAVQUGQZNRAAQ-UHFFFAOYSA-N 566.017 5.577 5 40 KKBB O=c1/c(=C\c2cc(Cl)cc(Cl)c2O)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 100958344 AGIHPYQYFIRIDB-SEXPAEGTSA-N 550.423 5.239 5 40 KKBB CCOC(=O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccc(I)cc3c2=O)cc1 102456892 DNPAJNDTYJWXSC-AWNIVKPZSA-N 567.339 5.246 5 40 KKBB O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)[C@@H]3C2=O)cc1 102712920 ZPYUWLTTYHWHBP-SDHOMARFSA-N 541.541 5.073 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 104659596 OWTBUHQEYPJGAP-UYXCRFNSSA-N 615.711 6.205 5 40 KKBB Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3C)oc2cc1C 105306378 YXJQHWYPMXCIBT-UHFFFAOYSA-N 545.621 5.292 5 40 KKBB O=C1S/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc2ccccc2c1 105981050 LZRMDWOOXIXAKV-QFEZKATASA-N 527.514 6.685 5 40 KKBB O=C1CCCCC(=O)Nc2ccc3nc4ccccc4c(c3c2)SCCCCCCCCSc2c3ccccc3nc3ccc(cc23)N1 150424867 FBFSPGNQBNGACO-UHFFFAOYSA-N 672.920 10.765 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 163737793 ANUIUKGXGAEMMZ-KMCFWPMWSA-N 635.698 5.447 5 40 KKBB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225359853 KVENPFKBKYEFDY-FTJBHMTQSA-N 500.580 6.214 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260710277 CFBBPZJRPZJIOI-JOCHJYFZSA-N 631.151 5.011 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 260950309 VBFWVLXWIUGEEK-GDLZYMKVSA-N 627.163 5.103 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(F)cc1 408564820 AKSILUGBUKBMBF-HSZRJFAPSA-N 516.957 6.196 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408564990 AXLCXSVLRFQDPO-DEOSSOPVSA-N 529.449 6.880 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 408565975 DMABLOUMFWFQAS-RUZDIDTESA-N 573.502 7.279 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccccc1F 408574432 UUQKOWAQVVHSID-QHCPKHFHSA-N 528.993 6.066 5 40 KKBB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408646778 UMGPTHWFOFFXLE-NSHDSACASA-N 581.195 6.133 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1cccc([N+](=O)[O-])c1 408685973 QQOPJKQNUAUPMB-UHFFFAOYSA-N 612.165 5.653 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 408728275 JHUVQIZXVTXHQM-CSKPTYFESA-N 633.090 5.767 5 40 KKBB O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3Cl)sc2c1)c1cccc([N+](=O)[O-])c1C(=O)O 408750583 OZAFNMKYZZTOLQ-UHFFFAOYSA-N 534.402 6.754 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 408828829 MIKANVLTTKFREJ-OBDCIHEFSA-N 719.013 6.855 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccs1 408837385 DNHSISBYHRWQPJ-ZPVURNRZSA-N 613.673 5.174 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408871041 VIYDAWKYGVCYAF-RMORIDSASA-N 666.428 6.639 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408994556 HZEAYMDIGVKFLM-JESJEVRBSA-N 724.773 6.275 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409042837 XXPGUTWZODJCRC-IVRZUQNJSA-N 845.519 5.761 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(C)cc5[N+](=O)[O-])C(=O)[C@H]34)c(=O)n2[C@@H]1c1cccc2ccccc12 409050558 WYKSLJBZRRCEFU-GFUAOMJXSA-N 786.866 6.371 5 40 KKBB O=C1N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 409095547 HZQYIIICLYPFJI-KEBDBYFISA-N 518.740 6.231 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc2c(c1)OCO2 409158346 OKMROCXGHYTLKN-GATIEOLUSA-N 556.556 5.002 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(Br)cc1 409175618 SZGLWZRHDRDALI-SRZZPIQSSA-N 599.375 5.733 5 40 KKBB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409176982 CYFKGCFVLIBKCS-UHFFFAOYSA-N 544.972 7.357 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409178338 GPPMETYHPQINJA-AQIZGWBQSA-N 608.470 5.037 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 409275247 ZTBHMNOHQYAQGF-SSDVNMTOSA-N 562.909 6.979 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409337035 SMJRMKIYFCYCGL-SCRHHBKZSA-N 664.743 5.078 5 40 KKBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)CC2)cc1 20528408 JTRZHIAVBYZYBU-UHFFFAOYSA-N 524.577 5.632 5 40 KKBB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@]1([C@H]2C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)N=C1C 59662984 YRGNNBWEALFYLI-KQDQWFAOSA-N 625.645 5.410 5 40 KKBB CCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C/c1ccccc1O 100177507 FGBQIHPDXYNZHO-RQZCQDPDSA-N 505.439 5.643 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C)C(c1ccccc1)=N2 102940960 KLKDDJICTHXZLQ-FAIXQHPJSA-N 620.448 6.196 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2ccc(Br)cc2)=Nc2ccccc21 103562830 IJCCODCADADWKG-MUUNZHRXSA-N 604.468 7.647 5 40 KKBB O=C(C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(C=CC(c3ccc(Cl)cc3)=NN2c2ccccc2)S1)c1ccccc1 103697084 ICLQKQUGKORNEK-PMERELPUSA-N 566.042 7.132 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 105355495 KKHLUXHCCVNBGM-DTQAZKPQSA-N 535.943 8.122 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1c(Cl)cccc1Cl 106743586 FONIWTQUUZEFJY-CFRMEGHHSA-N 559.427 7.116 5 40 KKBB Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)C(C)C)cc1 147113243 LXDPEILMRZHZDQ-HSZRJFAPSA-N 579.708 5.322 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c2=O)=N1 150396339 MDUIKLHJSWEASU-USDTVRPUSA-N 664.578 6.633 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 163628952 GQSOGVUOAGBJHJ-ALUWMOPFSA-N 755.556 5.195 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 208360598 NKUCWEOLTJURCA-CCLVUABDSA-N 609.660 5.437 5 40 KKBB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@@]1([C@@H]2C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)N=C1C 221965543 YRGNNBWEALFYLI-AAYZJPSRSA-N 625.645 5.410 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)o1 224111233 JFZFDCICLOGRCM-NSOVKSMOSA-N 571.659 6.338 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccn(C4CCCC4)c3)cc2)cc1 224790426 ZURKORDWSWBHID-IZLXSDGUSA-N 541.702 7.235 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225220736 KEACDCJUOGQUIK-JOCHJYFZSA-N 506.430 5.700 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225440705 DZIQTRFKHUEGRD-LJAQVGFWSA-N 624.601 6.680 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 225560409 VNAASQGGKOOBAE-URLMMPGGSA-N 571.659 5.822 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccco1)[C@@]21C(=O)Nc2ccccc21 229895574 IIGHFBBSFNYSHR-OAJQQGRKSA-N 545.551 5.434 5 40 KKBB CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@H]2[C@@]12C(=O)Nc1ccccc12 248376251 CBXSBQLRTDYRMY-JXFTZBDYSA-N 585.616 5.975 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260944316 JCQHXOSQJYJDTB-DCFHFQCYSA-N 635.570 5.819 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)cc2)n1-c1ccc(Cl)cc1 408574472 UWIDGCFTVCRPIQ-MHZLTWQESA-N 531.037 7.071 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408683274 LBAWOICDPAIINS-HCXPYDJZSA-N 598.442 6.351 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732278 TVOPCZCOMRXTLJ-HHHXNRCGSA-N 547.633 5.845 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733426 IWXUNKUHGRIEMC-KEFSUDQCSA-N 734.614 7.169 5 40 KKBB Cc1ccc(C2=N/C(=C/c3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 408848868 WQNOPJYYKQZUEU-DEDYPNTBSA-N 507.296 5.229 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 409085729 CWMSDQBPDZDUKG-LXKZMGPHSA-N 669.763 6.102 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 409098250 OXUUVHOESLUFGZ-ZRYJBNJPSA-N 679.780 5.572 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409128226 DXKDOQXHJJXBQP-NRFANRHFSA-N 531.038 5.026 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c1 409172594 DHRFOHWVDUEZJC-YDZHTSKRSA-N 535.603 5.571 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1cccc(F)c1 409231690 FPFVTSSFWUGCJN-UFFVCSGVSA-N 620.840 6.404 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409334962 XDZNIHABJFCCJO-FSJBWODESA-N 598.431 5.620 5 40 KKBB O=[N+]([O-])c1ccc(Sc2c(-c3ccc(Br)cc3)c3c4n(c(-c5ccccc5)cn24)CCCC3)cc1 3183580 MOUMOAZGYBZCKD-UHFFFAOYSA-N 544.474 8.233 5 40 KKBB C[C@H](CCN(C)CC[C@@H](C)c1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1 98048275 XOEYANGOTQNOTN-DNQXCXABSA-N 562.736 6.216 5 40 KKBB O=C(Nc1ccc(Br)cc1)c1cc([N+](=O)[O-])c(Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 100065595 QZVHFSSRHCFEKX-UHFFFAOYSA-N 549.337 7.054 5 40 KKBB COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2)cc1Br 100318529 BLNFXHSCYWORIP-UHFFFAOYSA-N 559.423 5.876 5 40 KKBB O=c1c2cc([N+](=O)[O-])ccc2nc([C@@H](Cc2ccc(Br)cc2)c2ccccc2)n1Cc1ccc(Br)cc1 100362619 SCRVHXGXXVIWRE-VWLOTQADSA-N 619.313 7.253 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 103540842 JOLGNNANNAVUIK-KCIBBDPESA-N 586.560 5.359 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)SC(c1ccccc1C)(c1ccccc1C)c1ccccc12 103768967 OAFXJHDNNUHSQU-WJOKGBTCSA-N 551.693 7.517 5 40 KKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 105024238 BBFFMFOMBBCUNU-UHFFFAOYSA-N 576.458 6.199 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 109400618 FOGJNFBFQPDHIY-UHFFFAOYSA-N 539.828 5.652 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 150454991 KXYNFINBCIPRNM-QRVIBDJDSA-N 695.329 7.176 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 214371630 PADNBGFSRIYLJL-ZVHZXABRSA-N 508.527 5.948 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224393069 GKEHTRDHAVUHNY-YTTGMZPUSA-N 772.118 6.689 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224781389 BZIGLDIWNVVBRK-HHHXNRCGSA-N 635.570 5.677 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc4ccccc4c3)cc2)cc1 224784877 HWNPSDSKDWVIFU-SAIUNTKASA-N 599.741 8.262 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225267013 JCMYCVYVZPFTDT-JGCGQSQUSA-N 628.751 5.347 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225318868 GLEUQFXKNZRLSG-DHUJRADRSA-N 767.732 7.503 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1 225536070 BJFXLDACZSVUFZ-FTJBHMTQSA-N 513.579 5.251 5 40 KKBB CC1=C(/C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]23O[C@@]2(C)C[C@H](O)CC3(C)C)C(C)(C)C[C@@H](O)C1 299888557 OFNSUWBAQRCHAV-UCYVLPQRSA-N 584.885 9.759 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408565409 BUXKJFNQMSGZSG-QHCPKHFHSA-N 573.990 5.974 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408566649 FVUOIHMQVMQENR-VWLOTQADSA-N 559.475 6.970 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1F 408570994 MQTKRKYICQDGKO-RUZDIDTESA-N 508.575 5.721 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1 408573025 SFBYZVXJYJKKOD-XMMPIXPASA-N 511.003 5.927 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2cccs2)cc1 408638951 DSTAXCKSGZCCJZ-UHFFFAOYSA-N 589.969 5.065 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408641634 KSQDUEGGPJZQHS-SPYNFDBNSA-N 598.011 5.334 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729917 KVMYTXQDINWYCF-YVBHXKDBSA-N 640.630 5.443 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)cc1C 408749178 FELXZTIMVHUDJS-UHFFFAOYSA-N 518.576 5.353 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c(OC(=O)c5ccc([N+](=O)[O-])cc5)ccc5ccccc45)c(=O)n32)c1 408764993 AZXVFJXEDNJESO-HRDPZVOISA-N 696.741 6.163 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC 408933487 BAEDQPJDOLPEBZ-ILLSWNIOSA-N 867.456 5.512 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408990840 WTXOCBSZFNWANJ-UHFFFAOYSA-N 538.994 5.698 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408992020 PZRVWGSHRHEKMO-VZVSMJQGSA-N 659.764 6.546 5 40 KKBB CCOc1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCC6)cc3[N+](=O)[O-])sc2c1 408994214 YCKQDEWODIBHEB-UHFFFAOYSA-N 536.660 7.011 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 409167756 MRKPRWYFNOJUBH-UDWIEESQSA-N 528.746 5.687 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)F)c1)C2=O 409175739 BNLQKLYOZAPCIT-UHFFFAOYSA-N 562.456 6.564 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 409188651 JCAVYTWTZBCJIF-RGVLZGJSSA-N 624.694 7.593 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409231059 HZGDWPXOUPODIN-SSDVNMTOSA-N 552.381 5.346 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409243376 VYSIGPUKLWEISY-YDZHTSKRSA-N 613.408 5.578 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409272586 NJYWOCSUJZSHIH-FSJBWODESA-N 543.384 6.400 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409275109 YLPJHKBFVOZRMX-FSJBWODESA-N 587.835 6.509 5 40 KKBB O=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1F 1772163 UHODTEOLRKWNPX-UHFFFAOYSA-N 513.884 5.250 5 40 KKBB COc1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 1807439 XYBRIQGXIROWOV-UHFFFAOYSA-N 501.369 5.740 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(C)C[C@@]3(c4ccccc4)N(c4ccc([N+](=O)[O-])cc4)N=C(C(=O)OCC)N3c3ccccc3N12 95101039 AZSNWJZCHJVPIN-ZPGRZCPFSA-N 704.700 5.882 5 40 KKBB CCCCOc1ccc(C(=O)NN2C(=O)c3cc(I)ccc3N[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 97959393 QEVYVLFIEKOURK-HSZRJFAPSA-N 620.831 5.943 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 97983823 BKOYERJOPBZSCY-UPEQZEQLSA-N 534.663 5.991 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1Cl 100360601 MZVYJKRWLWSDMH-WSDLNYQXSA-N 589.851 6.835 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4Br)C3=O)cc2[N+](=O)[O-])cc1 100368641 SOLNIEIQBUZVAL-XKZIYDEJSA-N 541.448 7.053 5 40 KKBB CCCCn1c(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)nnc1S[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 100817332 HRUUSVZNGCUXLB-GOSISDBHSA-N 628.777 5.461 5 40 KKBB CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 102899399 PXYSLKZLVKDHQE-ULNSLHSMSA-N 579.565 5.264 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 150396273 APJFQHUKEBCWJX-QZVQSRICSA-N 633.726 6.536 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 163995563 KRXZLDFRNGSCHJ-OFRZWCKSSA-N 630.700 7.401 5 40 KKBB C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223984082 KYODYELIQLUTPR-FQEVSTJZSA-N 633.554 5.573 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(Cl)cc3Cl)cc2)cc1 224766926 YDKPICZPMPSSNZ-WDYNHAJCSA-N 618.571 8.416 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225111315 OQQGOLKCZUUZPS-DHIUTWEWSA-N 645.178 5.401 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 225203502 WNHFLVGHXZDCBP-SVBPBHIXSA-N 543.605 5.784 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225490399 CEHHNQPAZJMSIB-DHUJRADRSA-N 802.177 8.156 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261042881 YXHIVQQWIQYHRQ-SFTDATJTSA-N 665.596 5.746 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1ccccc1 408573066 SIGUYYUCKBQMEU-HSZRJFAPSA-N 559.873 6.681 5 40 KKBB Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 408738943 XGLVJAQYQVJBMA-MUUNZHRXSA-N 507.590 5.710 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)cc(Br)c5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)c1 408844351 NODGAUBDXGDKAW-DBHVVYFFSA-N 759.476 7.340 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409126427 OXLQKENXEDQICI-WGOQTCKBSA-N 597.487 7.004 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409179942 QPNHHPCPJVQUBB-UHFFFAOYSA-N 563.349 6.852 5 40 KKBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)cc1Cl 409184322 XJPUGJQZBNHTRS-YZSQISJMSA-N 548.020 6.537 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409228968 HVFDXUOKPOTWAN-YDZHTSKRSA-N 646.903 6.663 5 40 KKBB COc1cc(-c2ccc(-[n+]3nnc(-c4ccccc4)n3-c3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1-[n+]1nc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1 575322880 POOAIYWLSWCRJP-UHFFFAOYSA-N 746.744 6.236 5 40 KKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccc(OCc3ccccc3)c2)cc1/C=C/c1cccc(OCc2ccccc2)c1 1714467 ZBBKRYQXGLTDAZ-XPWSMXQVSA-N 584.628 9.002 5 40 KKBB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 3279112 UDDZMTXCQGBNIN-UHFFFAOYSA-N 520.906 5.303 5 40 KKBB O=C(O)c1ccccc1C(=O)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 17466166 VTJTUNJMDOZWKD-LOQBRSTHSA-N 526.505 5.638 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 33358554 DBKXALWMUYNSQD-LEWJYISDSA-N 557.916 7.150 5 40 KKBB Cc1ccc(Sc2ccc([C@@H]3NC[C@@H](c4ccccc4Cl)c4c3[nH]c3ccccc43)cc2[N+](=O)[O-])cc1 53356563 JPBHRXMBDJBGIA-IADCTJSHSA-N 526.061 8.014 5 40 KKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 59331582 LAAWVANJDIIATJ-UHFFFAOYSA-N 520.567 5.670 5 40 KKBB CN1/C(=C2\C=NN(c3ccccc3)[P@@]2(=Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)C(C)(C)c2ccccc21 97983990 QOLMVMFRUHRHJQ-BDPUDFATSA-N 533.572 7.813 5 40 KKBB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(O)=C2[C@H]1c1cccc([N+](=O)[O-])c1 101420745 KPSKIVXMDNISPX-YKGWIAGDSA-N 509.606 7.462 5 40 KKBB CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OCC 102457131 NTYULADATGELOC-AREMUKBSSA-N 583.081 6.825 5 40 KKBB O=C1[C@H]2[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)N(c3ccccc3)O[C@H]2C(=O)N1Cc1ccccc1 102711341 FYJZSTHYPIYGTO-JIMJEQGWSA-N 511.559 5.370 5 40 KKBB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1 103095567 GGLXZFJFUDHEIR-YTKYSXRUSA-N 588.620 6.701 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 103841443 KOGFYJCQFRKALX-MIUGUJGPSA-N 600.483 6.794 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@H](c3c4ccccc4cc4ccccc34)C2=C(O)C1 104162587 QIYFFIQWFDOFDL-UUWRZZSWSA-N 522.648 9.099 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1cccc2ccccc12 106740776 SHJFBKJHXFZRKF-PKAZHMFMSA-N 554.580 6.602 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 106743611 JVEKNFRSCAUZDJ-USHMODERSA-N 576.671 6.985 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 150454644 UZSZDOPTLKOFEW-KSEXSDGBSA-N 634.302 6.944 5 40 KKBB Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccs3)n2-c2ccc([N+](=O)[O-])cc2)cc1 150455304 GTRQBQOABOYGEK-DEOSSOPVSA-N 643.776 6.007 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224163122 HQPSDYBJHCZFAS-WJOKGBTCSA-N 649.169 5.610 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225164797 MWLBTLDRMKECKK-GDLZYMKVSA-N 627.163 5.700 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 247334064 QBNRBOVWXWPHPX-YGGCMVMVSA-N 559.553 5.590 5 40 KKBB COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 261108902 XIKRCLIJICDFGW-MGBGTMOVSA-N 658.777 5.211 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408564027 CBHVFFWHQSHPTG-YKZUFBCQSA-N 523.589 5.339 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Br)cc1 408571376 ONWMOYYEISESQZ-VWLOTQADSA-N 569.481 6.344 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408575465 WIHKYPCGFRBQFW-VWLOTQADSA-N 573.502 7.279 5 40 KKBB CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)nnc1-c1cc(Cl)ccc1OC 408675099 RNSBVKKTJVWCDV-UHFFFAOYSA-N 511.785 5.273 5 40 KKBB Cc1ccccc1NC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408748624 BEUPRZVPQJOWJL-UHFFFAOYSA-N 504.549 5.044 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 408883576 UYPBREANLALHNQ-JMIUGGIZSA-N 581.912 6.211 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409140010 HGUWJBDKLOVBQF-ZDGAQAAHSA-N 597.571 5.294 5 40 KKBB COc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc(Cl)cc4)cc3C2=O)c([N+](=O)[O-])c1 409177991 FRIZBGGXJJTWKI-HHHXNRCGSA-N 570.941 5.838 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c1C 409271187 JTFCLTPBQQYQOD-FSJBWODESA-N 548.533 5.587 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409273863 MFDWVVKEQLICTO-YDZHTSKRSA-N 519.491 5.001 5 40 KKBB Cc1c(-c2ccc(Br)cc2)nn(Cc2cccc([N+](=O)[O-])c2)c1-c1ccc(Br)cc1 2733344 LLDJWAPSOJFIDS-UHFFFAOYSA-N 527.216 7.007 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1 6280785 FQEOTMDQTRXUMD-QGZVFWFLSA-N 523.018 5.869 5 40 KKBB C[C@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 8801791 PAIAIIFALHBCIP-HNNXBMFYSA-N 541.935 5.340 5 40 KKBB aggregator COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1OC 33562400 LCGRNZVPCDOHND-PGMHBOJBSA-N 510.546 6.394 5 40 KKBB COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1-c1cc2ccccc2oc1=O 59294063 YZHKVXCFLXIFLJ-NTCAYCPXSA-N 508.486 6.289 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C 70666063 MCSXGHLTXBACQB-NPFYMRIQSA-N 535.769 9.162 5 40 KKBB biogenic CC(C)Cc1nc2sc3c(ncn4c(SCC(=O)Nc5ccc(Cl)cc5)nnc34)c2c2c1CCCC2 97951617 SFIHQMGHVWJQQZ-UHFFFAOYSA-N 537.114 6.349 5 40 KKBB O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccc(Cl)cc1)N2)c1ccc([N+](=O)[O-])cc1 101007378 YQCQNCMMZYAIDQ-NRFANRHFSA-N 507.337 5.801 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl 105251087 NJQRPDAZEALUPZ-UHFFFAOYSA-N 545.250 6.998 5 40 KKBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)c(Cl)c1 106591214 COVOLFYCDYPVSC-UHFFFAOYSA-N 538.409 5.361 5 40 KKBB Cc1ccc2nc(-c3ccc(NC(=O)CN(c4ccc([N+](=O)[O-])cc4)S(=O)(=O)c4ccccc4)cc3)sc2c1 108887206 FULNYGKXNQLXPJ-UHFFFAOYSA-N 558.641 6.014 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)c(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC 163270813 DYHHCTJUTSVZIU-NMSMXSODSA-N 771.602 6.716 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 163713441 XIVWDPHSCFVUAU-SOOGQRQDSA-N 712.853 7.553 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223813022 INWFDFGXPIGRBW-IBVKSMDESA-N 598.494 5.300 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223817355 VKPHAQOMNVUKDL-GPNASLBKSA-N 697.641 6.652 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 224068812 FUCOIVOMQQCBIY-FTJBHMTQSA-N 551.024 6.106 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224468981 NUILNFGVPOOCLH-LJAQVGFWSA-N 691.634 6.280 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225469169 KAQIFYKREYGWMU-BHVANESWSA-N 767.732 7.503 5 40 KKBB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 225678533 NEFHUFQBBSKKPC-SVBPBHIXSA-N 543.605 5.260 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C(=O)NC(C)(C)C)c1 260825952 ZZCCCBDSGANMON-OAQYLSRUSA-N 661.177 5.101 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408563378 AHHGCINZZXOTEL-SIJZCSJPSA-N 578.463 5.400 5 40 KKBB COc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC 408574453 UVJLYOIKPOKPIA-SFHVURJKSA-N 513.801 5.119 5 40 KKBB CCn1c(S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)O)nnc1-c1ccc(Cl)cc1 408632851 KSJDMPMHQYNMNR-MYYYXRDXSA-N 560.035 6.747 5 40 KKBB O=C(Nc1ccc2nc(SCc3ccc(Cl)c(Cl)c3)sc2c1)c1cccc([N+](=O)[O-])c1C(=O)O 408748865 CJGIFYDAJHQNLE-UHFFFAOYSA-N 534.402 6.754 5 40 KKBB COc1ccc(OC)c(CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c1 408749870 JRUXKHKBAUQJIY-UHFFFAOYSA-N 507.549 5.315 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)S2)cc1 408785878 JBIZBERITRWMBC-NFYDWNOTSA-N 570.465 6.107 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 408979406 CJJJQRFFECFGAX-OXTLUBNBSA-N 708.974 6.544 5 40 KKBB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4nc(SCC(=O)Nc5ccccc5[N+](=O)[O-])sc4c3)n2-c2ccccc2)cc1C 408989371 UDYWSSYVFOLJSM-UHFFFAOYSA-N 711.851 7.443 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c(C)c1 409176603 SLFLUIOWPTYAQP-FSJBWODESA-N 548.533 5.587 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)N1CCN(c2ccccc2)CC1 409203969 AHQOAWBCVHGYOM-MFKUBSTISA-N 691.482 6.554 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409207442 WZYBHCUTEXQIJR-CVKSISIWSA-N 658.611 5.926 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409274177 NHIDGUPXKQXHDH-DHRITJCHSA-N 598.033 5.910 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl 409340774 BDOIJQNZCWONDR-ZDUSSCGKSA-N 537.429 5.043 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1 409367061 CEPXSEOJFHCPMV-UHFFFAOYSA-N 587.279 5.802 5 40 KKBB COc1ccc(S(=O)(=O)Nc2ccc(Oc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1 3134749 CMTFOQJFWCQWAN-UHFFFAOYSA-N 547.851 5.777 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2)cc1 22822877 WKTMAKYGAUWDBP-UHFFFAOYSA-N 500.599 6.387 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 97948754 BKMHVIQLZFUYSX-JTHBVZDNSA-N 602.367 7.259 5 40 KKBB CCn1c2ccccc2c2cc([P@](=Nc3ccc([N+](=O)[O-])cc3)(Oc3cccc(Br)c3)C(C)(C)C)ccc21 97984155 OJRGVPFZNJEIKB-LHEWISCISA-N 590.458 9.436 5 40 KKBB COc1cc(NC(=O)COC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)c(C)cc1[N+](=O)[O-] 103134044 CJDRMYIMJSZNRG-UHFFFAOYSA-N 555.012 5.237 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(NC(=O)c4ccccc4)c(Br)c3)cc2[N+](=O)[O-])CC1 105355529 LJPZTRVBDHVXON-UHFFFAOYSA-N 537.414 6.098 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 163739111 DMWBLBLMQXLLLG-QYIOYSLNSA-N 666.668 5.569 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214775547 VKHGRKFNVPYAPO-ZMOGYAJESA-N 559.427 7.116 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224262997 LWKPWBZZWINBAU-MGBGTMOVSA-N 693.222 5.927 5 40 KKBB Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224780830 LOSXTAFNOOXJED-IHLOFXLRSA-N 563.708 7.417 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225250120 PUKMRKAFGHXWPN-HZPDHXFCSA-N 512.459 5.467 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 247331420 OYDUHNVBJBYTNM-LUIYPFIDSA-N 620.459 6.339 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260891347 GAYQPYIXSOYUCC-PGUFJCEWSA-N 802.177 8.156 5 40 KKBB CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408560437 ZNHCCUCHQYNRCW-HSZRJFAPSA-N 594.827 6.889 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)CC2)c([N+](=O)[O-])c1 408576232 WGQXLTAHSJTODQ-UHFFFAOYSA-N 518.353 5.301 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)cc2)cc1 408642444 DVXDHDPMBGLKCJ-MFUHDEKWSA-N 691.696 6.255 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408643800 GLRVSOCDYACZQK-MRXNPFEDSA-N 529.332 5.473 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408683849 MINYMUZKCNQNRG-HHLQZUTDSA-N 666.128 5.590 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(F)cc3)C3=C(N=4)c4ccccc4CC3)cc2)cc1[N+](=O)[O-] 408826010 BZANBCAWHHXMFD-KOHOJCOXSA-N 653.713 5.442 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408841560 LGWBZVSYKLFHLU-QVFHAIOXSA-N 672.852 6.469 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc2ccccc12 408872479 FEDHOCIVMOWKEW-PKYOQBLNSA-N 579.634 5.428 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc2ccccc12 409087523 CWTUQNHYRRJVOF-LCQSEVKBSA-N 583.597 5.259 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409156321 RYWASXWETZDBEJ-NUGSKGIGSA-N 617.514 5.818 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 832720 WDCFRLSGQMGCAM-AGTZKDDFSA-N 558.546 5.031 5 40 KKBB CC(C)(C)c1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3c2=O)cc1 1807479 RVBGIPNHUVIUOW-UHFFFAOYSA-N 561.896 7.682 5 40 KKBB Cn1nnnc1Sc1ccc(C(=O)N(c2cccc(Cl)c2)c2nc3ccccc3s2)cc1[N+](=O)[O-] 2650819 VYRIDICZVQDLCB-UHFFFAOYSA-N 523.987 5.511 5 40 KKBB COc1ccc2c(-c3cc4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4oc3=O)cc(=O)oc2c1OC 9088427 QKNOYJAMUWVSBS-UHFFFAOYSA-N 501.447 5.071 5 40 KKBB biogenic O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22837385 IOSSRRYHGBQTRJ-UHFFFAOYSA-N 513.337 5.799 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 100329081 FEPXTYTZKWIAQL-OEAKJJBVSA-N 533.562 5.166 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 102099077 LJUAMUHYLHHXHT-RYHYHUEASA-N 604.615 6.500 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cc(OC)c(OC)c(OC)c1)CC2 103081502 XDOZUWKQQQNPHE-UYRXBGFRSA-N 599.596 5.460 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 106427314 XFLMOXRGWZLUMA-YXDQGSNCSA-N 598.464 5.582 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 106727509 GLZXMGPBZFICGS-MYYYXRDXSA-N 547.589 5.556 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCOCC1 214293823 ORZYQIRYSFHWLI-VXLYETTFSA-N 616.368 5.064 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222815404 FHWBBWQQJIEQAC-SSEXGKCCSA-N 734.058 6.453 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223640095 FYRYTMKEONUIBL-RUZDIDTESA-N 560.503 5.911 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223806448 ASCIPKBRDNSZCJ-ZOYWYXQUSA-N 707.647 6.107 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224389228 AZVYMBQAOYERCI-XIFFEERXSA-N 737.673 6.036 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 225253358 CUHLGOGDTLJTBC-UIOOFZCWSA-N 564.023 5.665 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260765578 FKPVKSHHBZCVFL-HSZRJFAPSA-N 657.189 5.627 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 408572391 RAHZZQXZGJYXNK-DEOSSOPVSA-N 603.926 7.079 5 40 KKBB CC(C)(C)c1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 408637692 NBFFHQIJOVFZMI-XMMPIXPASA-N 608.647 7.256 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408685937 QKQJCLOSRMYEFR-UHFFFAOYSA-N 761.959 6.407 5 40 KKBB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1[N+](=O)[O-] 408726358 BIJHUQNJZUGJKN-JUJAOGAQSA-N 568.221 5.313 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729279 DDWLJEICIJFHBE-ZJTZAHLKSA-N 650.496 6.533 5 40 KKBB O=c1/c(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408754276 GAGVQSZVJVQFLS-UTAOYMJKSA-N 571.658 5.806 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408760887 AQQQWDGGTRQDNV-UBXIJNLVSA-N 721.788 5.839 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408836056 POVRKTCIFGPTJD-ZJTZAHLKSA-N 851.457 5.893 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408837770 NEXPJSUTBRTQEH-PNZYDNNZSA-N 722.923 6.244 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc2ccccc12 408877041 SOIGKXZSCOJQIJ-PRLWALMFSA-N 644.503 5.882 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408942752 RHJZGHGVCKQBSV-VSQRRKBNSA-N 742.648 6.988 5 40 KKBB O=C(CSc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 408991323 NKQBNAVMWPNXIH-UHFFFAOYSA-N 556.669 7.125 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 409102924 URPSFOXUDWUVMN-YDZHTSKRSA-N 785.354 6.457 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409143458 FHQLMVMVRROAFV-ZJTZAHLKSA-N 724.659 5.816 5 40 KKBB CC(C)NC(=O)COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409148110 ONYWYARWEQOEDW-JGCGQSQUSA-N 564.642 5.860 5 40 KKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O 409179173 KONKMUJAOQKBJM-UHFFFAOYSA-N 504.804 5.425 5 40 KKBB O=C1N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1Cc1ccccc1 409237810 JSDYTVWQILHSJB-CIAFOILYSA-N 681.224 5.476 5 40 KKBB Cc1ccc(NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccc(C)cc2)cc1 907312 PWBFZPCVDRBUTR-UHFFFAOYSA-N 502.600 5.444 5 40 KKBB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)c1C 3380103 DNWBRZVIVGVKFC-INIZCTEOSA-N 530.961 5.715 5 40 KKBB CC1(C)C[C@]2(C)C=C3CC(C)(C)C(COC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)=C3[C@](COC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)(C1)C2 8385097 LWURPXALZXSISF-JHOUSYSJSA-N 678.651 7.203 5 40 KKBB CC(C)Oc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 9008484 WKWUYGYTWGQGKR-ILBGXUMGSA-N 508.372 6.387 5 40 KKBB O=C(COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(Br)cc1 13602152 BISOOILWRAATQT-UHFFFAOYSA-N 501.245 5.098 5 40 KKBB Cc1ccc(OCc2ccc(-c3nc4c5sc6nc(C(F)(F)F)cc(C)c6c5ncn4n3)o2)c(C)c1 13644115 BSDIMCKYNXBSQN-UHFFFAOYSA-N 509.513 6.670 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cc(Cl)cc(Cl)c2)cc1 19856839 ATACNBDIJDEZAL-UHFFFAOYSA-N 508.383 5.352 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 20153125 ZWDUWJPBLXEUIP-UHFFFAOYSA-N 508.600 5.019 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1C(/C=C/c1ccccc1)c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1O 100150494 QKWDBGNTYXBGKI-CAOOACKPSA-N 552.547 5.748 5 40 KKBB CC(C)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 101072946 HVVCZBKSBJRZEJ-GIJQJNRQSA-N 570.259 6.391 5 40 KKBB O=[N+]([O-])c1ccc2c(CSc3nnc(COc4ccc([C@H]5CC=CCC5)cc4)n3-c3ccccc3)c[nH]c2c1 103754121 CQTFCRKJKKGIOU-NRFANRHFSA-N 537.645 7.352 5 40 KKBB CCOc1ccc(N2C(=O)CS[C@]23C(=O)N(CN2CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC2)c2ccccc23)cc1 104162074 FZWBLZCVVCRJGB-GDLZYMKVSA-N 627.645 5.071 5 40 KKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105312855 ADWKHRZQVQGNMK-UHFFFAOYSA-N 559.648 6.262 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc(OC)c1 111469917 IFTAHEZWDSHDPX-KUSDHMTMSA-N 621.671 5.421 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)c(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1OC 163289746 DQBLWTDGMJCTSB-XZYZCHRKSA-N 789.502 7.348 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225351866 IZEAQFXDBXRNEH-MUUNZHRXSA-N 534.056 5.880 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408563306 AEQLRBGFNFJSML-LXVLGKFKSA-N 592.490 5.790 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733248 GZPDVQXMSRFOII-OIUASMPBSA-N 656.116 6.199 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 408822675 BQYIHUGNLFCVTM-ORVZPOCUSA-N 774.431 5.961 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408823993 GLHCAKALLFJPSM-NBQDTTAVSA-N 643.718 5.081 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])c(Cl)cc5Cl)o4)c(=O)n32)cc1OCC 408933010 GOXDHWGHWHYQSC-RHQUGFSWSA-N 644.489 5.291 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5cccc(Cl)c5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408938246 HLCJMCRPCCBEOO-UONGPDOGSA-N 729.005 5.719 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408946578 YYKVVVZQMFNKIV-UAMLYEQYSA-N 678.163 5.735 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC 408949872 SKMDGYLRXPIPKY-KXXVVDRPSA-N 694.560 5.065 5 40 KKBB Cc1ccc(Cl)cc1NCc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409114642 KRDMTGHYSKRDHV-UHFFFAOYSA-N 540.639 7.273 5 40 KKBB CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 409158917 YMWQKMDTZHAPTN-RGFRMHDHSA-N 587.654 5.064 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409160106 XPAMMUSUVMNQRK-FSJBWODESA-N 553.980 5.511 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1cccc(Br)c1 409166110 BNPPPCNMBLQUNX-VXLYETTFSA-N 519.760 6.507 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccccc1Cl 409247297 MDTQQNQKAKWSGR-GRSHGNNSSA-N 562.785 5.946 5 40 KKBB O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 409412463 MIZYGDFTECBGPE-UHFFFAOYSA-N 544.362 5.181 5 40 KKBB COC(=O)c1cc(C)nc(-c2cnn(C)c2OCCC[C@@H](C)CNc2cc(Br)ccc2[N+](=O)[O-])c1 1857793941 ZPWBMZAIYDZAMY-OAHLLOKOSA-N 546.422 5.155 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 1311686 WVLGEHNEHBKCGS-UBFVSLLYSA-N 550.354 6.213 5 40 KKBB O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 1813738 MCVZKMASUDQWFF-UHFFFAOYSA-N 506.914 7.925 5 40 KKBB O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 3044925 CZZUQKCLRVZQSE-UHFFFAOYSA-N 597.359 5.020 5 40 KKBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)N1CCC(Cc2ccccc2)CC1 9860257 LBSZUNFKJABIST-UHFFFAOYSA-N 529.648 5.396 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)cc1 14278776 CXEMSBFMXTYXLT-UHFFFAOYSA-N 502.571 5.234 5 40 KKBB C[C@H](C(=O)N1c2ccccc2[C@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)C[C@H]1C)N1C(=O)c2ccccc2C1=O 33353888 KGWGLPOUBLASOV-NPKFRGRUSA-N 588.620 5.793 5 40 KKBB Cc1ccc(N(CC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 34657377 INBSKBUAAJTFLE-MDKPJZGXSA-N 508.040 5.001 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 49762896 SSIWVYBQEYMNGF-UWFUZCTESA-N 692.724 6.810 5 40 KKBB C=Cc1c(C)c2cc3c(C=C)c(C)c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)n3C 85565768 PWQMZDDLPYUOLU-UHFFFAOYSA-N 576.697 7.819 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 97948266 NDBSKXXEXCGVRM-UHFFFAOYSA-N 560.467 5.772 5 40 KKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 100343777 GXLLJYWAMQCMRG-MTJSOVHGSA-N 517.415 7.289 5 40 KKBB O=C(COC(=O)c1cccc(-c2cccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1)c1ccc([N+](=O)[O-])cc1 100354290 IZJSKIBMZIUMRN-UHFFFAOYSA-N 568.494 5.249 5 40 KKBB O=C1NC(=O)/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)S1 100946248 RSFBOCXCIPQXCU-AUWJEWJLSA-N 514.151 5.023 5 40 KKBB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@@H]21 101460294 ZRHIGDZIDKQKSO-ULBKPHCJSA-N 524.529 5.446 5 40 KKBB Cc1nn(-c2ccc(Cl)cc2)c(O)c1[C@@H](c1cccc([N+](=O)[O-])c1)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O 101621099 LWJCBELZWCNVHJ-VWLOTQADSA-N 550.402 6.069 5 40 KKBB O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101674255 VOJWIUIYLOAAIG-TVNXZVQQSA-N 610.453 6.883 5 40 KKBB O=C(CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5)NC(c1ccccc1)c1ccccc1 102435756 IUEBSYONTRXVIT-UHFFFAOYSA-N 598.757 7.041 5 40 KKBB COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N23)c1 103553423 XDKVONHITCMNLZ-IEMSDXTESA-N 585.616 5.850 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 163708835 NYBCPAPAJVLOME-PKYOQBLNSA-N 631.732 5.016 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccc(C)cc2C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 164566328 DXJFPWVXRIDUPS-DEGAVRALSA-N 704.805 6.385 5 40 KKBB O=c1/c(=C\c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 164922555 RJFIEAMIFCHNQN-ZPMAPHDVSA-N 644.734 5.419 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224164327 GROLMCKUDYXYRN-WJOKGBTCSA-N 628.751 5.345 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224201346 PGFLMTJTQROROY-AREMUKBSSA-N 540.085 5.648 5 40 KKBB CC(C)CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224393590 IOHRUWLOFRQFDA-HXUWFJFHSA-N 621.543 5.286 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc4ccccc4c3)cc2)cc1 224784828 HWNPSDSKDWVIFU-LQJZCPKCSA-N 599.741 8.262 5 40 KKBB O=[N+]([O-])c1cccc(NCc2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)c1 408558096 PSDHOEUFKFAXSV-UHFFFAOYSA-N 510.157 6.450 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408564805 AITXFGHPTKKTAB-XMMPIXPASA-N 529.449 6.880 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc4ccccc34)cc1)[C@@H]1CCCN12 408570032 YEYRQNGQDMWVJL-MLSIGSLTSA-N 505.574 5.473 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1F 408571967 QCPHVARTCPIWCJ-VWLOTQADSA-N 508.575 5.803 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 408576047 XGJJHGQKNAACKC-SANMLTNESA-N 504.612 5.890 5 40 KKBB O=C(O)/C(=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)Sc1nnc(-c2ccc(Cl)cc2)o1 408632013 COQCGFCMMZTFNX-BRPDVVIDSA-N 621.074 8.641 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408680250 FZOAZRCQJMFCJK-ZYNNUQKQSA-N 658.536 6.252 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Br)cc1 408683790 MDXBOFCIWGUWML-ZBWOKKAISA-N 730.997 6.044 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4ccc5ccccc5c4C3=C[C@H](c3ccc4c(c3)OCO4)[C@H]2C1=O 408731117 JBABRQLRHGCBIV-GOATXGGQSA-N 574.545 5.307 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cc(C)c(C)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 408918245 HZVWGVRNYGQQMR-USVCQMFLSA-N 690.752 7.418 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408919721 BROPRXQVEAFOCN-ZSJKCPIUSA-N 610.113 5.730 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 408986480 MFJFPLDYQHJIIA-JOHYPREOSA-N 756.631 6.203 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 409106007 MBFPGQAWFQBGJQ-LRUGRNCASA-N 686.171 5.447 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409126594 CXSSMSZLQXOTBC-NLRVBDNBSA-N 518.591 6.242 5 40 KKBB CCc1ccccc1N1C(=O)c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O 409178843 IWSNIVZZXGCHRE-MUUNZHRXSA-N 534.524 5.739 5 40 KKBB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 409181914 GSGDJGDAEQAKKK-MUUNZHRXSA-N 579.392 6.700 5 40 KKBB CCOc1ccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1OCC 409190136 LFENGYOTLDVTGU-YMXYCTNHSA-N 528.517 5.356 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409196295 VNNUCJYOEOZKRX-OTHIGLTOSA-N 813.745 7.589 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409273073 PMWRSDSMTKDOMJ-UUYOSTAYSA-N 539.953 5.753 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1 409349507 PUXVANJKZWVUAY-ZDLGFXPLSA-N 504.362 5.156 5 40 KKBB O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)C2=O 3143016 DLLMTDISAISAHL-UHFFFAOYSA-N 574.412 6.561 5 40 KKBB C[C@@H](OC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 6153155 TXSKXQOTECQOLR-CYBMUJFWSA-N 571.917 5.252 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@H]2C=Cc3ccccc3N12 9313380 NMHDINZUWSXCHF-XJYHXZFBSA-N 500.554 6.345 5 40 KKBB COc1ccc(-c2nc(NC(=O)c3ccc(NCc4ccccc4Cl)c([N+](=O)[O-])c3)sc2C)cc1 12565692 XDIMPJBRLCGUJJ-UHFFFAOYSA-N 508.987 6.553 5 40 KKBB O=C1c2cccc3cccc(c23)C(=O)N1CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 13301229 LOETXDUXCQBUHF-BUHFOSPRSA-N 509.493 5.230 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(C(=S)N3CCCC3)cc2Br)cc1 34877776 QCDYPOSJIIBURW-UHFFFAOYSA-N 500.212 5.470 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)N1C(=N2)C(N2CCN(c3ccc(F)cc3)CC2)=Nc2ccccc21 96022095 RPTKKVWNNHKNCV-YTTGMZPUSA-N 612.669 6.733 5 40 KKBB Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)oc12 96022716 VIVUFFCADCHVJS-UHFFFAOYSA-N 575.364 5.856 5 40 KKBB CCCCOc1ccc(-c2cc(C(=O)OCCN(C)c3ccc([N+](=O)[O-])c4nonc34)c3ccccc3n2)cc1 97946061 CMJKDMAHQQOJFT-UHFFFAOYSA-N 541.564 5.818 5 40 KKBB O=[N+]([O-])c1ccc(-c2csc(NP(=O)(/C=C(\Cl)c3ccccc3)/C=C(/Cl)c3ccccc3)n2)cc1 97983627 ZYQGGQZCWKJUEZ-XRBXDRSNSA-N 542.384 8.883 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 101196403 HNXUXIGIRRUIAS-ANOKCIKSSA-N 547.592 5.512 5 40 KKBB COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 101673683 LOXKQPFLISBJHP-GNKBHMEESA-N 590.386 5.276 5 40 KKBB O=[N+]([O-])c1ccc(C2=CSC3=NC4=C(CCC/C4=C/c4ccc(OC(F)F)cc4)[C@@H](c4ccc(OC(F)F)cc4)N23)cc1 102451769 AGKBGYGLVIJTDB-RSNIYIGMSA-N 609.601 8.777 5 40 KKBB CCCC(=O)N(c1ccc2oc(-c3ccccc3)c(C(=O)OCC)c2c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 102628971 RXNYVMNQDZWZHQ-UHFFFAOYSA-N 571.007 6.360 5 40 KKBB O=c1/c(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 102660328 QEFSHYHSPJJGHV-IVQFASICSA-N 620.618 6.067 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)ccc1NCc1cccc(C(F)(F)F)c1 102837372 LHRBQXNXZWPBOI-UHFFFAOYSA-N 533.450 5.723 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1cccc([N+](=O)[O-])c1)(N1CCOCC1)N(C)C(c1ccc(F)cc1)=N2 102940915 VBEZGGIXEBEYAV-FAIXQHPJSA-N 559.542 5.572 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 103529135 HJDDQLIAYWPZHU-FVYOSNSJSA-N 571.589 5.585 5 40 KKBB O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1 103769915 YEHXYTKWDULWTQ-UHFFFAOYSA-N 576.449 8.109 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 104677376 GTBYEFRCDZXIPH-IMUCPKNRSA-N 613.736 6.487 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 105511721 CCPBYDKZSHXJJV-ZSJKCPIUSA-N 621.027 5.060 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106701534 CONXVXJVTQTFBC-RMORIDSASA-N 609.465 6.223 5 40 KKBB CCN(CC)c1ccc(C(c2c(C)nn(-c3ccccc3)c2O)c2c(C)nn(-c3ccccc3)c2O)cc1[N+](=O)[O-] 108423182 WZDYNCAXGTYAMA-UHFFFAOYSA-N 552.635 6.021 5 40 KKBB CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc1 215001448 USZGXLKTJIWDBB-HZHRSRAPSA-N 506.536 6.048 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224252043 BZWLZVNXPDWFPV-HKBQPEDESA-N 649.169 5.610 5 40 KKBB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CCCCC1 224770286 HJPIRZVKJZUMAE-JSOSNVBQSA-N 583.783 8.242 5 40 KKBB COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 224793337 WSVZFUFJKTVENX-IHLOFXLRSA-N 608.701 7.365 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)o1 225001325 IZACLTMSFJYWEC-IHLOFXLRSA-N 604.132 7.325 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225319397 FIRNDOQKRWHAFB-VQTJNVASSA-N 621.543 5.429 5 40 KKBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 225761586 PBDPCYPDXUCRCK-MUUNZHRXSA-N 533.694 5.549 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1F 408577799 ZXWFVMTXKMAWBG-QHCPKHFHSA-N 573.444 6.175 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408658032 UPIYXLXELSIWGJ-ZRZAMGCNSA-N 622.417 5.312 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 408834366 YDDMQSJGUWZRCG-ITNPZBTBSA-N 580.065 6.449 5 40 KKBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 409016420 SMJQICJRDIOWKW-SGEFVQMOSA-N 510.446 5.394 5 40 KKBB CC(C)Oc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409133056 ZEXFWUUEERBGTE-PMERELPUSA-N 507.590 6.743 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409153455 ICEAOTUXGWIOQZ-ZVHZXABRSA-N 614.032 6.149 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 409192564 CJQBOGJGBUHOSB-ASUJOLEISA-N 761.282 6.197 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 409194221 PFNSYMYZXXSXRN-CIAFOILYSA-N 545.798 6.831 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)Nc1ccccc1Cl 409232050 MTDUTFMOJSKNJS-SRZZPIQSSA-N 775.746 6.711 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)cc2)cc1[N+](=O)[O-] 409342846 FPGWOPVTSLSHNX-UUYOSTAYSA-N 632.470 5.108 5 40 KKBB COc1ccc2c(-c3ccccc3)cc(S[C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)nc2c1 3295461 BFAWWPIZZSEQHD-GDLZYMKVSA-N 556.043 7.944 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1 16195524 HESCDWSVCYEMJE-UHFFFAOYSA-N 504.356 5.286 5 40 KKBB CC(C)=CCC/C(C)=C\C=C/C(C)=C\C=C/C(C)=C\C=C/C=C(C)/C=C\C=C(C)\C=C/C=C(\C)CCC=C(C)C 32787678 OAIJSZIZWZSQBC-GZVPDMSFSA-N 536.888 12.938 5 40 KKBB Cc1cccc(Oc2ccc(N3C(=O)c4ccc(C(=O)OCC(=O)c5cccc([N+](=O)[O-])c5)cc4C3=O)cc2)c1C 97948048 HHZDTUAYOWIDHL-UHFFFAOYSA-N 550.523 5.844 5 40 KKBB O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 97984285 WCWIJPQJVBGTJF-ONFFIRDOSA-N 530.512 5.844 5 40 KKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)o1 104654942 BKGJPEGUDMHILU-NBQDTTAVSA-N 591.645 5.504 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2cccc3ccccc23)n1-c1ccc([N+](=O)[O-])cc1 104806386 BIIBVTYYDPYKMR-OVCLIPMQSA-N 545.336 6.222 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 105302440 CPSOEYNNZWGLAC-UHFFFAOYSA-N 534.380 8.330 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 112251735 PJVJQLAMXNIYCP-OGLMXYFKSA-N 540.597 6.962 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1cccc(OC)c1 150395127 XPWGARZDVFZCIB-OINPTKSXSA-N 686.540 5.875 5 40 KKBB O=c1/c(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 163500575 RDTXGYDWBYINCQ-IVQFASICSA-N 857.895 7.669 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 214236554 SGPHCVIRZIAZIF-YDZHTSKRSA-N 587.423 6.711 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223919012 WUUATCTZMJDCCG-NRUKRWIHSA-N 697.641 6.652 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224991329 JRTWAPHCOYJSFK-DEOSSOPVSA-N 671.216 5.669 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225285381 UNSZPHYZNHNHLG-CVEARBPZSA-N 512.459 5.467 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 229590649 QBNRBOVWXWPHPX-CILKRHGOSA-N 559.553 5.590 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N23)c1 229866031 XDKVONHITCMNLZ-OLBUMSFYSA-N 585.616 5.850 5 40 KKBB O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccc(Cl)cc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408545503 SSKAIFJQEZYDFW-UHFFFAOYSA-N 562.866 6.516 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1cccc(F)c1 408574485 UYCIREIEUFFYKO-QHCPKHFHSA-N 546.983 6.205 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 408614903 JONOISQSOJCBLD-UHFFFAOYSA-N 513.881 5.101 5 40 KKBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408638511 CSUAXZMERQDCQK-YWEJSHKYSA-N 680.155 5.979 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(Cl)cc1 408676591 AXRDEDGQWTUYDS-AGTZKDDFSA-N 592.007 5.381 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732524 WHAPXMGDHODFGJ-USBYOSQFSA-N 780.812 6.289 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5c(OC(=O)c6ccc([N+](=O)[O-])cc6)ccc6ccccc56)c(=O)n42)c2ccccc2CC3)c1 408768192 USJMAYWLRNTWBJ-NSFGRKQPSA-N 665.727 6.608 5 40 KKBB O=c1/c(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408837749 MUHZQLCZCBWMTJ-KOHOJCOXSA-N 616.655 5.714 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 408927517 PTZNJPUCOYHRMR-ZGGSADGGSA-N 684.730 5.576 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 409030172 CPKPPCPWHMQAEV-FQKMCRJQSA-N 608.072 5.407 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409068689 BOGRKOMQIFKFGC-KEBDBYFISA-N 514.321 5.587 5 40 KKBB O=C1N/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1C1CCCCC1 409078093 HQBFDMVFDATMIS-NDENLUEZSA-N 579.245 5.924 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 409105931 PKRMHGXNGHYHRT-AFOHCANTSA-N 693.807 5.922 5 40 KKBB COc1cc(C(c2c(-c3ccc(C)cc3)n[nH]c2O)c2c(-c3ccc(C)cc3)n[nH]c2O)cc([N+](=O)[O-])c1O 409368779 MCECAABQAQXUEY-UHFFFAOYSA-N 527.537 5.297 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)o1 409399646 KKQCFOHRAAFWLS-GRSHGNNSSA-N 590.770 5.062 5 40 KKBB CC(C)C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 2078947 RUVOBMOESYDWCS-NSHDSACASA-N 519.168 5.858 5 40 KKBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1ncc(Cc2ccc(Cl)cc2)s1 6161492 AKQHGULQLKNYQG-UHFFFAOYSA-N 563.064 6.274 5 40 KKBB COc1ccc(OC)c([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(C)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)c1 8437160 LESPFEIPOGGDHQ-KOHOJCOXSA-N 605.672 5.813 5 40 KKBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cc(C)c(C)cc1Br 9235761 BQJFCSADHFYDHX-SOFGYWHQSA-N 516.348 5.467 5 40 KKBB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 16401728 SLXHHNJUAYBDEO-PERMLSPLSA-N 516.937 5.931 5 40 KKBB CCc1sc(NC(=O)c2cc3c(ccc4ccccc43)o/c2=N\c2cccc(C)c2C)nc1-c1ccc(C(C)C)cc1 97957987 HQQIZSLVHLFRCJ-OVJIMOTJSA-N 571.746 9.497 5 40 KKBB CCCC[C@@H](CC)Cn1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(=O)OCC)c2nc3ccccc3nc21 97983748 FNEYCBWDDXVRKJ-QGZVFWFLSA-N 562.583 6.046 5 40 KKBB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5Cl)cc4)cc3)C(=O)[C@H]12 101459497 QGAMWNKSVGNEGX-BAVSPZBZSA-N 558.974 6.099 5 40 KKBB CCOC(=O)c1c(C)oc2c(Br)cc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 101697577 PJBAGMYHWKFJGW-UHFFFAOYSA-N 517.741 5.043 5 40 KKBB COc1ccc(CCn2c(C3CCCCC3)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1OC 102581385 JWADUFUXOBZTNN-UHFFFAOYSA-N 539.426 5.573 5 40 KKBB CC1CCC(Nc2cc3c(=O)n(-c4ccccc4)c(=O)c4ccc5c(=O)n(-c6ccccc6)c(=O)c2c5c43)CC1 103580582 JCWSUVDKDGMLSL-UHFFFAOYSA-N 529.596 5.035 5 40 KKBB CCCCCOc1ccc(N2C(C)=C(C(=O)OCC)C(c3ccc([N+](=O)[O-])cc3)C(C(=O)OCC)=C2C)cc1 104164483 CJQCVPFRCSZXJP-UHFFFAOYSA-N 536.625 6.442 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223448081 RYXQBRMKJBLYKG-JOCHJYFZSA-N 661.177 5.103 5 40 KKBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223947768 HZRPJIFQQWJENC-FQEVSTJZSA-N 633.554 5.573 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 224715523 VGRSYZFRJSLROX-IHLOFXLRSA-N 547.640 7.058 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 224783822 GJOILVNRCHFORT-VMPREFPWSA-N 594.678 7.017 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl 224967636 GXVBNHROKUKZJR-ZEQRLZLVSA-N 505.987 5.620 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 408573976 UIGURBDENOEBMH-AREMUKBSSA-N 597.535 7.043 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccccc1F 408574077 UOVSVNUSQYQIOQ-RUZDIDTESA-N 557.047 6.764 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F 408575003 VIMGWZCFWKBBPW-XMMPIXPASA-N 561.010 6.595 5 40 KKBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 408644639 HDKCMSSGHBWARV-ADCSMLMYSA-N 646.450 5.014 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408654443 QMHFMMAVKWZHLY-DZUWIXTPSA-N 684.104 7.173 5 40 KKBB O=c1/c(=C/c2cc(Br)cc([N+](=O)[O-])c2O)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408756100 HKLXAPWCGNNTHL-DKOMQPSQSA-N 639.325 5.458 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)o1 408757731 PRCVSNSFQBAMKD-SJXDCSIJSA-N 624.516 6.558 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 408917915 CQLBCLQDIHCEDY-YDZHTSKRSA-N 524.982 6.381 5 40 KKBB COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(c4ccc([N+](=O)[O-])cc4)N32)ccc1C 408986709 DBKTWOCZXGIOEI-AREMUKBSSA-N 512.591 6.283 5 40 KKBB Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(-c5nc(O)c6c7c(sc6n5)CCCCC7)cc4[N+](=O)[O-])sc3c2)cc1 408987950 CCLLENPHVIFHIX-UHFFFAOYSA-N 639.784 8.563 5 40 KKBB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409037180 SJSMIUVIJOVPTD-STZFKDTASA-N 524.396 5.541 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409040930 VETDZJYBRZNMHX-VNOBABJFSA-N 666.756 5.505 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2=O)=N1 409045118 HSFXZMNBKFGMEC-QPJBPQEWSA-N 608.072 5.409 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409090554 REBJJCRFRDYCDQ-FUAQWRKOSA-N 678.836 6.633 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409144715 PMJLNFAGFRJMBA-PQNXSAFSSA-N 709.806 5.419 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(I)cc1 409255157 ZIIKKOPRTZABAY-NHDPSOOVSA-N 669.375 6.686 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)C2=O)o1 409402163 VTUNKZAJQMBMCM-WSVATBPTSA-N 625.215 5.716 5 40 KKBB O=C(Nc1ccc(Cl)cc1)c1cccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 3142892 OVKWOAKHVZRLIR-UHFFFAOYSA-N 513.893 6.093 5 40 KKBB O=c1c2c3c(sc2nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1-c1ccc(Br)cc1)CCCC3 3251687 IMGHGZUKPPZERV-UHFFFAOYSA-N 559.423 6.056 5 40 KKBB COc1ccc(-c2nnc(Nc3ccc4c(c3)nc3c5ccccc5c(-c5ccc(C)cc5)nn43)c3ccccc23)cc1 98000103 XJAZIPCPBBAHIK-UHFFFAOYSA-N 558.645 8.374 5 40 KKBB O=c1c2ccccc2c2cc3ccc4c(=O)c5c(Br)c(Br)ccc5c5cc6ccc1c2c6c3c45 100006254 HJICBVMRKHYRDH-UHFFFAOYSA-N 564.232 8.318 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 100618523 VTWASUVUBPLIOL-JOHYPREOSA-N 584.697 6.267 5 40 KKBB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5c(Cl)cccc5[N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 101460298 IBBQLBXXABFNKA-GDYWIIFWSA-N 558.974 6.099 5 40 KKBB CCOc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 102436019 KYAMLCVITBOMNT-PMERELPUSA-N 569.625 7.283 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)cc1[N+](=O)[O-] 103913557 WSFVNOWUIUDGEX-LCQSEVKBSA-N 551.649 5.857 5 40 KKBB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)sc2c1 105306400 ZCIOISBJCCBLAX-UHFFFAOYSA-N 533.635 5.143 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 197764101 YEJCNYBXIVNJRE-QFIPXVFZSA-N 634.571 6.494 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 222387288 SEXAKKNDQXAJDL-JXWCMEKSSA-N 676.725 7.109 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222953323 SZPDATBJVFNJIM-HHHXNRCGSA-N 588.557 6.547 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223934179 FJAUAGKUKCYHCP-CAQRMWTPSA-N 776.139 7.622 5 40 KKBB CC(C)CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224393736 AYCAXUVSKRLZKU-HXUWFJFHSA-N 621.543 5.286 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224959137 MUMMHZWSYXJWSM-AREMUKBSSA-N 523.630 5.132 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225119118 FMVQJAZDTUAZBP-SANMLTNESA-N 645.178 5.403 5 40 KKBB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NC(=O)C(C)(C)C 225119520 GVDOJIXOJLNVPX-SXOMAYOGSA-N 571.659 6.420 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225186339 PNGVEBRWWDMGCX-FCHUYYIVSA-N 631.151 5.093 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225292813 LQQDEZXBSJGLNM-DEOSSOPVSA-N 613.564 5.232 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261086688 SGIFCJOXNVAJIO-OAQYLSRUSA-N 675.602 5.202 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)nnc2-c2cc(Br)ccc2O)c(C)c1 408542647 KJXVCVVZSODOBJ-UHFFFAOYSA-N 568.453 5.967 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408564416 CTDOVUNHQADOIB-BBFXTFFKSA-N 633.326 6.398 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 408565501 CCDXDUJSAKVWKR-XMMPIXPASA-N 619.925 6.698 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 408720733 XSIMOFASIGRPNO-TVNKHIRZSA-N 520.585 6.009 5 40 KKBB CCc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1 408984806 MXZXQNCACQAKAK-UHFFFAOYSA-N 518.576 5.298 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408995814 NMWYGOCCAIUKRF-MZANGIHLSA-N 695.535 5.277 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 409161609 NNGLLFDMVAIARK-ZWTGMXIPSA-N 693.763 5.131 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409177977 HZDWBGLDRQOUMM-AREMUKBSSA-N 551.467 5.085 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409238207 WFJYWMFBAXYASO-WSDLNYQXSA-N 507.930 5.237 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409338799 BIJKMHQQCSIIFN-JVWAILMASA-N 575.643 6.371 5 40 KKBB Cc1cc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 1864103 USUPOLSOGGNKFK-UHFFFAOYSA-N 580.141 5.775 5 40 KKBB CCCCc1ccc(-n2c(Sc3c(N)c4cc([N+](=O)[O-])ccc4[nH]c3=O)nc3ccccc3c2=O)cc1 5918899 UZILMUPCXYSRAO-UHFFFAOYSA-N 513.579 5.211 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccccc1OCC 8452267 QEOIZHWGMBHBBB-RAWKODRKSA-N 548.664 5.503 5 40 KKBB COc1ccc(-c2csc(N3N=C(c4cccc([N+](=O)[O-])c4)C[C@H]3c3ccc(F)cc3)n2)cc1OC 13382164 ABUPOKLQIPLXGG-QHCPKHFHSA-N 504.543 6.230 5 40 KKBB CCC1=C(CC)c2nc1ccc1[nH]c(c3nc(ccc4[nH]c2c(CC)c4CC)C(CC)=C3CC)c(CC)c1CC 68568435 ISTXAQGRFDHHFX-UHFFFAOYSA-N 534.792 10.026 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 100554872 JBRXIEJLFUUTAH-UHFFFAOYSA-N 551.296 6.520 5 40 KKBB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c(Cl)cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 101027756 PGKXKCKBNQTJQY-UHFFFAOYSA-N 543.985 5.487 5 40 KKBB CC1=C[C@H]2N(c3ccc(C)cc31)[C@@H](C(=O)c1ccc(C)cc1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 103545924 XLAZJFUBGHRGIC-GOLATDCPSA-N 583.644 6.458 5 40 KKBB CC[N+](CC)(CCCCCC[N+](CC)(CC)CCOc1ccccc1Cc1ccccc1)CCOc1ccccc1Cc1ccccc1 104451658 VWYHUDXFHBIZNT-UHFFFAOYSA-N 650.992 9.600 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 105313101 DLOYKNYOLRUTIN-RMKNXTFCSA-N 545.429 6.812 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112231840 NTZCFGWOLKTMTG-UHFFFAOYSA-N 537.985 5.020 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 215140029 ZTINURLJGCDZCB-LSFURLLWSA-N 582.915 7.444 5 40 KKBB O=C(NCc1cccc(NC(=S)Nc2ccccc2F)c1)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccccc1 215675083 ROLLUJBFACMAFD-COEJQBHMSA-N 635.677 6.890 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222953392 SZPDATBJVFNJIM-MHZLTWQESA-N 588.557 6.547 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224492200 PDYMWCGBZVGGJI-SANMLTNESA-N 598.563 6.145 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225262263 YXHIVQQWIQYHRQ-NHCUHLMSSA-N 665.596 5.746 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(F)cc1 408566007 DNPWXDOJETUZOR-VWLOTQADSA-N 601.498 6.874 5 40 KKBB COc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC 408566715 FZVUSGLWFYOTTG-HXUWFJFHSA-N 507.410 5.082 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408568581 IAXVISXNDAUONE-VWLOTQADSA-N 559.475 6.970 5 40 KKBB Cc1ccc(COc2ccc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccccc3)cc2Br)cc1 408568627 IDARJRKAJYCGEP-DEOSSOPVSA-N 539.455 6.336 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)[C@H]1CCCN12 408568871 VCQIEFCWRHDVQY-YUHKXCSQSA-N 552.400 5.222 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408649106 XLIHEKOPKLOZPM-UHFFFAOYSA-N 693.710 8.190 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408651544 GVBQLJMMBCHEOM-HUBOAGJBSA-N 612.469 5.738 5 40 KKBB Cc1ccc(NC(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-] 408675525 BEQQEGCNJJXCJK-BYVQZYKMSA-N 587.588 5.095 5 40 KKBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccc(Br)cc3)sc2c1 408750464 NJQOLYKZEUTRIH-UHFFFAOYSA-N 526.393 6.060 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(F)cc1 408778496 GJSZBRZOBOCBGX-JESJEVRBSA-N 665.699 5.571 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 408920549 JYKHFRNIGIWGPE-VZVSMJQGSA-N 654.748 6.155 5 40 KKBB Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCCC6)cc3[N+](=O)[O-])sc2c1 408988594 DYFMMBXAELSNAD-UHFFFAOYSA-N 639.784 8.563 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c2=O)=N1 409035421 JTOMORSWKYLBKJ-UQDCTOEPSA-N 682.549 5.526 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409168003 KMECHOJIGAYZHM-ZVHZXABRSA-N 533.562 5.166 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O 409179419 NCSLETBQBFDNEN-UHFFFAOYSA-N 528.904 6.198 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 409219587 OKALEILGQSKSTO-UUYOSTAYSA-N 589.876 7.081 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409329865 HXTXOJJRTRNTFW-NDENLUEZSA-N 632.392 5.070 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409374494 RDWOIYGTEJHTLL-CVKSISIWSA-N 575.643 6.173 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)C2=O)o1 409398006 AUMSYLUYHICCLI-UUYOSTAYSA-N 606.385 5.562 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1cccc(OCc2ccc(I)cc2)c1 2744920 OFAXYAVQXASNLI-NHDPSOOVSA-N 560.731 5.776 5 40 KKBB COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1Cl 20610834 YUZNUUIBIXNUCQ-UKTHLTGXSA-N 515.913 5.903 5 40 KKBB CCOc1ccc(/C=C2\CCCC3=C2N=c2s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n2[C@H]3c2ccc(OCC)cc2)cc1 102975382 DCAYBBNFLNYKAP-ZGJXBICYSA-N 593.705 6.188 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 109213935 VHNABCBTIOKNKR-HZHHUVPKSA-N 592.717 5.901 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1c(F)cccc1Cl 215270184 IGOZNTWYTWWTON-UFFVCSGVSA-N 529.889 6.324 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2OC)o1 224585136 NVVCWFRSIYVAGH-LOSJGSFVSA-N 502.552 5.444 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225236254 SZXDEHSULCWFJO-BHVANESWSA-N 698.842 6.196 5 40 KKBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225250717 XDEBTOGQEHVKQC-PMERELPUSA-N 559.732 6.225 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408564690 DPTRSPVAGUNNEY-OYMMJLNRSA-N 516.356 5.233 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408568415 UJPQYLSOYXQWOL-UYDITSSVSA-N 586.870 5.602 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 408575062 VWKJTYNQENDJHR-AJZQZXEDSA-N 542.419 5.539 5 40 KKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1 408585251 YCYGNPBCCYZJGK-UHFFFAOYSA-N 631.306 6.378 5 40 KKBB Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408638515 CSUAXZMERQDCQK-ZWOBKPEWSA-N 680.155 5.979 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733941 SLBGOBITAJLMSO-VVNKCDPRSA-N 608.470 5.037 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 408766367 CPKPKZLRRAFZFW-GEYGMGCISA-N 646.681 5.723 5 40 KKBB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)S1 408808336 FPENGLZHYHEQID-UHFFFAOYSA-N 506.560 5.262 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)cc2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408828584 IABCDJITQTXTNR-UNDLXJOSSA-N 590.661 5.659 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 408937320 QIJMFRXKTVDQPQ-MSXFZWOLSA-N 630.448 6.149 5 40 KKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c34)C2=O)cc1 409000042 MGMXWISXZDAXKZ-UHFFFAOYSA-N 530.378 6.980 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409034780 RAOMSRTWPKMSPH-XXNQQEORSA-N 841.646 5.519 5 40 KKBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409199621 IFPDAAYALJNPIU-UZPSYVQNSA-N 524.473 5.784 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409221707 ADDQHSGLTAEICN-FSJBWODESA-N 558.490 6.334 5 40 KKBB Cc1c(C=O)c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Br)cc1 409263229 LSSJXHLDNHPXST-JJFYIABZSA-N 540.395 5.814 5 40 KKBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c(OCCN(CC)CC)c(Br)ccc12 4065699 KWFDOTRLAGXFQP-UHFFFAOYSA-N 564.458 5.722 5 40 KKBB CCOC(=O)c1ccc(NC(=O)c2sc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(C(=O)OCC)c2C)cc1 6599919 IIJKTHIJWINLQD-UHFFFAOYSA-N 539.566 5.131 5 40 KKBB C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1[C@H](C[N+](=O)[O-])C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 8443146 SXJXXDFKTCCRQQ-SSDNGGRBSA-N 555.632 5.734 5 40 KKBB CCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1 8818288 JGGSKXNWZQAAPO-PLOUNDIBSA-N 516.686 6.136 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 14277953 KFADESFSSUDEDS-GOSISDBHSA-N 500.555 6.005 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)N1CCCC1 32118922 RJDZZOLUTKHUDN-UNOMPAQXSA-N 503.989 5.058 5 40 KKBB O=C(Oc1ccccc1C(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 97948398 BBKNHTNMNJOLSC-UHFFFAOYSA-N 566.953 6.722 5 40 KKBB Cc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@H]2C1=O 101111131 WUEIGWUXFIVMAO-FCEKVYKBSA-N 549.539 5.174 5 40 KKBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1c(F)c(F)c(F)c(F)c1F 102168258 AMLNKXPQXAVPIY-UHFFFAOYSA-N 570.279 5.431 5 40 KKBB O=C(NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105304654 NXGJZXHDNLNDOM-UHFFFAOYSA-N 526.530 5.980 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 150396237 XWNRASRBBBVHQY-WGJPBTIMSA-N 654.144 6.881 5 40 KKBB CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1Br 197695987 ZBZFCFNGHXFVBX-CRCYZHLCSA-N 588.483 5.388 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214627372 FKQXBDDGWLXJJS-FSJBWODESA-N 521.507 5.849 5 40 KKBB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)[nH]1 224762852 BEGNHHVQWSSHRS-LOSJGSFVSA-N 501.637 6.263 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3nc4ccccc4s3)cc2)cc1 224764728 KVXAXIWMIFBTMO-WDYNHAJCSA-N 606.758 7.719 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224988587 OIYNZJSBVGEVRQ-WJOKGBTCSA-N 693.620 5.717 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260887751 CPSDWGRWBRZYAM-PKTZIBPZSA-N 645.178 5.401 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261041453 KMYOPAWMOJXCRX-UKJJDJLKSA-N 663.196 5.998 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408564430 CUAYVHXHPPZODH-UMDVNSCSSA-N 568.457 6.026 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl 408565567 LKASHLKONSLWSJ-NUWWLQTNSA-N 554.430 5.636 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408569986 KMSXQUSGWZTZHT-GOSISDBHSA-N 550.236 7.233 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 408620410 ITFUCWRIHLCKGW-OOIQZMFUSA-N 542.975 5.689 5 40 KKBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccc(Br)cc3Br)sc2c1 408750742 RENDMRYBEPTNFS-UHFFFAOYSA-N 605.289 6.822 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408753459 IXLGUFGDDTZMJH-FLGOMVIPSA-N 817.627 6.333 5 40 KKBB Cc1cccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1C 408757890 RQZZLRXEFORUKM-UHFFFAOYSA-N 516.351 6.672 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc(Cl)c([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1OC 408765974 CFAQMXNEBMKYTH-UUGOHJJBSA-N 660.535 6.811 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cc(C)c(C)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 408918244 HZVWGVRNYGQQMR-ULQRSLTBSA-N 690.752 7.418 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n21 408946850 ISUIKYKAPCYQJE-NJRBXVFNSA-N 789.708 7.991 5 40 KKBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1[N+](=O)[O-] 409048039 QNSPGDUAQYIPOV-QFMXGDCESA-N 660.682 6.709 5 40 KKBB COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409055179 KFDWZTCPZDRMCT-MTJSOVHGSA-N 575.824 6.839 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409188785 ALJAFKURJBFQRI-ZWTBYVTRSA-N 742.066 6.992 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)c1ccccc1 409224963 OLEBLWBZGOCGMI-WSDLNYQXSA-N 528.464 6.325 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1OCc1ccc(Cl)cc1Cl 409275833 LUMSJVBUOMQAPQ-FOKLQQMPSA-N 573.410 6.408 5 40 KKBB O=[P@]1(NS(=O)(=O)C(F)(F)F)Oc2c(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc3c(c2-c2c4c(cc(-c5ccc6ccc7cccc8ccc5c6c78)c2O1)CCCC4)CCCC3 1857524060 AYQUGUKQLQQIEA-VGRRCQLWSA-N 889.932 14.171 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCc3cc(F)cc4c3O[C@H](c3ccccc3)OC4)cc2[N+](=O)[O-])C1 12546872 FYYVHDDLHRDNTP-RMYSCLOFSA-N 520.557 6.181 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 44802982 YKYXHVKQCJJSIB-UHFFFAOYSA-N 517.991 5.016 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 57313341 OUQYIZDZRIOYAZ-DTQAZKPQSA-N 501.498 7.468 5 40 KKBB Cc1cc([N+](=O)[O-])nn1Cn1nc(-c2ccc(Br)cc2)c(Cl)c1-c1ccc(Br)cc1 97948077 PYTOKHVAQFADRN-UHFFFAOYSA-N 551.626 6.314 5 40 KKBB COc1ccc(-c2csc(NC(=S)NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Br 100319460 FWABYHWITKVKCY-XVNBXDOJSA-N 553.847 5.669 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)c1ccccc1C(c1ccc(Cl)cc1)=NN2c1ccccc1 102417528 XGKNNTDLIPBGJC-LJAQVGFWSA-N 554.031 6.787 5 40 KKBB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 104195136 FIDAJOKZORRRTG-NHFSENDXSA-N 609.642 8.155 5 40 KKBB O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105316293 RDFDHCLSVATWSJ-UHFFFAOYSA-N 590.061 5.597 5 40 KKBB Cc1cccc(C)c1N1C(=O)C[C@H](Sc2cccc(NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)NC(=O)c3ccccc3)c2)C1=O 113561529 YMVNHZVQJTUBRA-ZWMLJNOUSA-N 620.687 6.045 5 40 KKBB O=c1/c(=C\c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 163502693 UNZMHXLGWMFRFW-OGMUYLFESA-N 639.686 5.134 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 163667124 FFNKDRUFSCOFDF-SZYVSPPHSA-N 694.560 5.065 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 163708713 NYBCPAPAJVLOME-USDTVRPUSA-N 631.732 5.016 5 40 KKBB COC(=O)CCCC1(c2ccccc2)[C@]23c4c5c6c7c8c9c(c%10c%11c2c2c%12c4c4c%13c5c5c7c7c8c8c%14c9c%10c9c%10c%11c2c2c%11c%12c4c4c%12c%13c5c5c7c7c8c8c%14c9c9c%10c2c2c%11c4c4c%12c5c7c5c8c9c2c45)[C@@]613 169724067 MCEWYIDBDVPMES-NKCYNRQTSA-N 910.902 18.589 5 40 KKBB C[C@@H](c1cccc2ccccc12)N([C@@H](C)c1cccc2ccccc12)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 201502837 KEIZMADKDYGTFM-KYJUHHDHSA-N 639.735 13.363 5 40 KKBB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 205672059 REHXPTIDPIIDPX-CAOOACKPSA-N 575.315 5.768 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 205778264 BBMUXKHJEFCQAT-DJKKODMXSA-N 540.472 5.402 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223693629 JPYQKZRIDRVQCY-PMERELPUSA-N 669.587 5.873 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1cccs1)[C@@]21C(=O)Nc2ccccc21 248334050 KUEKYYDBCBGJPW-WPQKMFINSA-N 561.619 5.903 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12 408566819 OYWXSGZYCTZSON-YTXOVJPBSA-N 614.496 6.244 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408574530 VCYICMVWQYHCNA-BABFKJTQSA-N 570.415 5.134 5 40 KKBB CCn1c(S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408631602 FXONCRXUCUTPLY-ZMFRSBBQSA-N 592.630 5.696 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1 408679389 DVXVGMADZSWBRG-UHFFFAOYSA-N 758.999 6.490 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccccc1Cl 408822966 DEVUBUQFIXFOLT-DDIUQFJASA-N 640.117 6.092 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1Cc1ccc(Br)cc1 408873360 UFWWCFXUFJFXJB-UUYOSTAYSA-N 559.825 6.826 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409094743 FWWPFQGDTCYAMI-VNOBABJFSA-N 665.772 5.032 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 409096215 CVBIZZNMFAHAOD-MTJSOVHGSA-N 527.942 5.582 5 40 KKBB Cc1ccc(Cl)cc1NCc1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409116007 LEJKHBRTPDLBGI-UHFFFAOYSA-N 540.639 7.273 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409164592 KRIICESNBBGQFS-SSDVNMTOSA-N 568.495 5.118 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccccc1 409249698 LAQGNCQUJYLXSB-FYJGNVAPSA-N 508.328 5.029 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409272069 OHCXMYMONVHPQW-AFUMVMLFSA-N 640.512 6.627 5 40 KKBB CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)C1 409336880 QREHJSPZHBWNOJ-SFHVURJKSA-N 523.666 5.157 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409369581 PRNQONIYNQCXNP-UHFFFAOYSA-N 626.467 7.606 5 40 KKBB COc1ccc2c(C3=Cc4c(OC)c(OC)c5c(ccc6cc(OC)c(OC)cc65)c4CCN3C)cc(=O)oc2c1 604406108 WRJSPKBWGMBBSI-UHFFFAOYSA-N 553.611 6.128 5 40 KKBB biogenic CC(C)(C)c1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 1807478 OCXRFDBBNZCGAX-UHFFFAOYSA-N 527.451 7.029 5 40 KKBB O=[N+]([O-])c1ccc(N(CCN(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Cc2ccccc2)c([N+](=O)[O-])c1 8396380 WIXWLTLMSQZSCC-UHFFFAOYSA-N 572.534 6.033 5 40 KKBB COc1ccc(-c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)cc1COc1ccc(Cl)c(C)c1 13643547 GUHWKYGDZHMJNI-UHFFFAOYSA-N 516.026 6.720 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)cc1 100369755 CECXMBPLNNMQKW-UCQKPKSFSA-N 535.603 5.738 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=C(O)C1 102453440 HLSYQYZNTNQQBK-XMMPIXPASA-N 525.483 7.210 5 40 KKBB O=[N+]([O-])C1=CC[C@@H](c2nc(-c3ccc(-c4nc(-c5ccc([N+](=O)[O-])cc5)nc5ccccc45)cc3)c3ccccc3n2)C=C1 103584263 OFCUGDPWUBFTNZ-DEOSSOPVSA-N 578.588 7.686 5 40 KKBB Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@@H]4[C@@H]3C2=O)c1 104071354 QJTICNCAZQDWIA-POTDNYQPSA-N 542.979 5.019 5 40 KKBB c1ccc(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)cc1 105535904 UTOWSIGAQFSSNM-UHFFFAOYSA-N 616.768 6.302 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1cccc2ccccc12 106718449 HWAOHHQRIOYOQT-NTFVMDSBSA-N 519.582 6.988 5 40 KKBB COc1c(Br)cc(Br)cc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 106741004 CFZJEIGCVKOVJM-CHHVJCJISA-N 528.178 5.365 5 40 KKBB CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccc(F)cc2)c(C(=O)OCC)c1C 150391436 NLRDDJUPBFFTMO-QGZVFWFLSA-N 684.728 5.087 5 40 KKBB COc1ccc(C(=O)Nc2cc3c(cc2[P@](=O)(Nc2ccc([N+](=O)[O-])cc2Br)N2CCOCC2)C(C)(C)[C@@H](C)N3C)cc1OC 150682176 QSBWAVKAUZRQKC-JGVQCAFCSA-N 702.543 6.005 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc(Br)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1 163246717 LDQWLRZIKOETTC-SJXDCSIJSA-N 640.515 6.258 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 224912804 CGSMYSIHJPLJQM-MHZLTWQESA-N 566.054 5.335 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 225653545 MKZREDVTFCCNRT-KAYWLYCHSA-N 526.622 5.090 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@]12[C@@H](c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)N(c2ccc(C)c(C)c2)N=C1C 248157721 MPZOSKBBYXZCJU-KKIVPZFCSA-N 535.604 5.744 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408567840 RWTQFOJXPRQGPQ-UYDITSSVSA-N 570.415 5.088 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408570560 LJJNFNWGBOBUBL-VFICKSILSA-N 586.870 5.648 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 408571084 NKTIBBMOKZJNFK-VWLOTQADSA-N 559.475 6.889 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 408576616 XWBVXVQWXQNLAZ-RUZDIDTESA-N 569.481 6.344 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(OC(=O)c2ccccc2)cc1 408649844 LPCWWZMVGTVARU-VWLOTQADSA-N 564.550 5.260 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733765 QBRHWVXPPSZOEQ-ZJTZAHLKSA-N 694.947 6.642 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408763821 RADVAVKJMOWIRY-FABFSAKGSA-N 672.115 5.774 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408824654 HBUPTONRZOMSAB-PYCBVSLESA-N 613.692 5.073 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OCc1cccc2ccccc12 408832559 REBXNDOKOYCGSD-JCBRUWBUSA-N 730.640 7.730 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408833196 WMRMBPRHBOEWNX-YNMQQHPQSA-N 587.654 5.064 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408874097 YOMVKIZDVMCMGL-JJFYIABZSA-N 713.428 6.481 5 40 KKBB Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc([C@H]4N[C@@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1 408988462 DNHNCGYLNYRKNG-JPYJTQIMSA-N 552.659 5.705 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409046927 LMDXCULDJRDHFQ-KAEGSSFASA-N 631.707 5.379 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409076501 BATCQMFNPDKZLY-FSEOGBMLSA-N 747.418 5.899 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409181491 BSAGKIFBUDCZNO-UHFFFAOYSA-N 747.557 6.872 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1/C=C\c1nc(O)nc(O)c1[N+](=O)[O-] 409324813 VTGQJZJYYLPIDO-RJRFIUFISA-N 543.208 5.448 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409380431 MXTBQMFMATVCAN-HMAPJEAMSA-N 604.479 5.384 5 40 KKBB CCc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2Cc1ccccc1OC 2390868 RWKCURMHPWYRQK-UHFFFAOYSA-N 509.997 5.615 5 40 KKBB O=C(Nc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 20283343 ZXHWJNLOFLAPNA-UHFFFAOYSA-N 520.589 5.395 5 40 KKBB COc1ccc(-c2nc(NC(=O)c3ccc(Br)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463627 MLPVZAKZFKMJOJ-UHFFFAOYSA-N 510.369 6.409 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 96400878 WMXYERPACINAMK-ATDUGNNBSA-N 518.476 6.218 5 40 KKBB CC(C)Cc1nc2sc3c(ncn4c(SCc5ccc(Cl)c(Cl)c5)nnc34)c2c2c1CCCC2 97951453 IIFNWWBBEYTYLT-UHFFFAOYSA-N 528.534 7.564 5 40 KKBB O=[N+]([O-])c1ccc(-c2csc(N3N=C4/C(=C\c5ccc(Cl)cc5)CCC[C@H]4[C@@H]3c3ccc(Cl)cc3)n2)cc1 97983154 ZGIZYGDUIOIIGA-MOAMZQRJSA-N 561.494 8.826 5 40 KKBB COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)sc2c1CC[C@H](C(C)(C)C)C2 102869545 KNSZFXQHZICIMJ-QQMCDRLVSA-N 589.670 5.645 5 40 KKBB CCc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)c1nc3ccccc3nc1n2-c1ccc2c(c1)c1ccccc1n2CC 102883650 OQNARRNLNVDNJN-UHFFFAOYSA-N 592.659 6.751 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 103527139 AFMJNMFGJOBXNT-FVYOSNSJSA-N 571.589 5.585 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccs1)[C@@]21C(=O)Nc2ccccc21 103541644 KUEKYYDBCBGJPW-PJGOFDOSSA-N 561.619 5.903 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 103754380 WBYIULSBECRKLM-CLNXTWJPSA-N 623.712 5.826 5 40 KKBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2cc(Cl)cc(Cl)c2o1 105305776 KWUIUQRPZPKUKY-UHFFFAOYSA-N 584.485 7.135 5 40 KKBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2ccc(Br)cc2)o1 105311186 YMPWZWMCKAQELK-UHFFFAOYSA-N 525.178 5.507 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)/C=C/c5c6ccccc6cc6ccccc56)CC[C@]4(C)[C@H]3CC[C@@]21C 118917000 HWPKACQLFFCDBD-DUFVDRSYSA-N 616.930 11.959 5 40 KKBB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)n2-c2ccccc2)c1 150439412 RVSGVIREANYBDW-UHFFFAOYSA-N 645.561 5.366 5 40 KKBB CC[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H]1CC[C@@](C(=O)O[C@@H]3C[C@@H]4CC[C@H](C3)[N+]4(C)CC)(c3ccccc3)c3ccccc31)C2 217469699 LIIILPIXOYWUHW-JMDGZJQPSA-N 600.844 6.256 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224368829 NIFQZASTMCQZBH-FQEVSTJZSA-N 700.041 6.257 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224516426 MSXMUMGWYOGPNS-JGCGQSQUSA-N 762.112 7.234 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224989182 WQUZKPLFBYOLKG-NDEPHWFRSA-N 610.574 6.289 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 225003932 XWYFPOLMFUGRAQ-FQLXRVMXSA-N 574.106 7.317 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 248328873 CELMTJHKWOYMKC-AOFBEVEVSA-N 600.587 5.749 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)[C@H]1CCCN12 408563320 AFLPHRQSCASXGN-BGBNXGLDSA-N 524.404 5.627 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(F)cc1 408564822 AKSILUGBUKBMBF-QHCPKHFHSA-N 516.957 6.196 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 408565728 CXZGMWNMEPZRQI-HSZRJFAPSA-N 545.448 6.580 5 40 KKBB CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408639833 GIBFOYLMAZYOAS-HNNXBMFYSA-N 595.222 6.523 5 40 KKBB Cc1cc(I)ccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408736564 CSNQUWWRPFOZFI-MHZLTWQESA-N 619.459 6.006 5 40 KKBB Cc1ccc(N2C(=O)c3cccc4c(-c5ccc(Br)c(C)c5)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 408755164 BUGVEVYKARIQJI-UHFFFAOYSA-N 515.363 6.903 5 40 KKBB Cc1cc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C 408757226 WJSXOKYBFVLMIH-IMUCPKNRSA-N 559.647 6.104 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 408978533 IYTLJXSXQZDCTG-RLFCKUQXSA-N 688.940 5.400 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409009273 CSGHBEWRKMBEEL-YZSQISJMSA-N 667.538 5.330 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409271664 KYSPYWQXWMRPIS-MTJSOVHGSA-N 525.926 5.363 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(OC)cc1 409274460 DEQKSQPTILUFQJ-LHMNITIUSA-N 638.746 5.089 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O 409379680 ZMLWVUSUOGMFAF-RTWAWAEBSA-N 644.433 5.115 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 3285834 LMVUISFHQOKUPZ-UHFFFAOYSA-N 534.985 5.717 5 40 KKBB CCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 35363209 AQDRWRQURWJITH-NHDPSOOVSA-N 617.655 8.238 5 40 KKBB Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 57315690 QLGOARWAHLGHBR-UHFFFAOYSA-N 519.001 7.162 5 40 KKBB O=C(CSc1nnc(-c2ccco2)n1-c1cc(C(F)(F)F)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1 98008158 QVYXTFWTGFRYRN-UHFFFAOYSA-N 523.880 5.839 5 40 KKBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 101195975 WJSUZDOGDSGOPI-WYMLVPIESA-N 561.664 5.076 5 40 KKBB COC(=O)c1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)cc1 102825699 HGRSRGZQVKKPJX-UHFFFAOYSA-N 534.977 7.231 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 104708804 HAYQPIAPHGDXBM-UHFFFAOYSA-N 538.409 5.361 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 106684851 MHPJHIHUXKDMTC-BKUYFWCQSA-N 560.993 5.261 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(Br)cc4[N+](=O)[O-])C(=O)[C@H]32)c2ccc(OC)cc2)cc1 112254353 QJLKXYKLYWLTMO-TUJIQRHUSA-N 587.426 5.798 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 150396278 ISYHVODAALJANU-JOHYPREOSA-N 649.725 6.236 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 163280154 DDGXJLLELFBPHW-DKRDTAIRSA-N 675.763 6.222 5 40 KKBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222952218 FPIUAOGRFQPTGB-IBGZPJMESA-N 621.543 5.429 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 225426763 SKPXIKDHCWHKMF-LJAQVGFWSA-N 671.614 5.212 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225505921 SIVDNQWZQWBIDZ-PWUYWRBVSA-N 624.760 5.138 5 40 KKBB CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@H](O)C[N@@+](C)(Cc2ccccc2)C2CCCCC2)cc1 245240287 PRONGAWLQZADHF-KAODMTDESA-N 510.783 7.136 5 40 KKBB CC1=C(/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)C[C@@H](O)C1 256116072 DMASLKHVQRHNES-JNKDDHERSA-N 552.887 11.577 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 408565188 ITOVNRQMLIFZIK-BQGAEBSMSA-N 537.975 5.121 5 40 KKBB CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408570085 YPZGQUQWXDXXLP-DPQOWFAMSA-N 577.262 5.857 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc([N+](=O)[O-])cc1 408638019 BLHLDQPVOMKQQS-UHFFFAOYSA-N 779.417 6.835 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408642898 OFYKEKLVTUPHMT-IITHMQAJSA-N 660.466 5.414 5 40 KKBB C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408645427 SIDNGRUTWQZOIU-LBPRGKRZSA-N 546.750 5.480 5 40 KKBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1 408678013 CMHXSTIJAUSPRX-UHFFFAOYSA-N 597.194 5.753 5 40 KKBB Cc1c(I)ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1Cl 408736961 KGZUWPRVRFIOQN-SANMLTNESA-N 653.904 6.659 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 408779138 AHJUCXMJXFZQMC-JOHYPREOSA-N 698.222 6.798 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408841557 LGWBZVSYKLFHLU-HMEHKCSNSA-N 672.852 6.469 5 40 KKBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2)c(C)c1 408927497 WCZCMZMFPWBMSD-ZXVVBBHZSA-N 527.602 6.192 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)cc1OCC 408933127 HTLYJQSMUYXMBE-MGQZUQOPSA-N 694.560 5.065 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 408983249 GPJIZYFTWNHFTI-JOHYPREOSA-N 712.180 6.093 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408983250 GPJIZYFTWNHFTI-QZVQSRICSA-N 712.180 6.093 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409100987 ODRHFIATKSIKQW-CSJROMOCSA-N 641.134 5.377 5 40 KKBB CCn1c(SCC(=O)Nc2c(C)cc(I)cc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409133650 MAVIWHNZQHLNFQ-NRFANRHFSA-N 636.516 5.286 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409175745 BRMGSVYNQZYBCW-JYNXQWRTSA-N 747.451 6.672 5 40 KKBB Cc1ccc(-c2nn3c4ccc(NC(=O)Cn5nc(C)c6ccccc6c5=O)cc4nc3c3ccccc23)cc1 1251899 NFKWJOSPRKPJJV-UHFFFAOYSA-N 524.584 5.668 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(C=CC(c3ccc(Cl)cc3)=NN2c2ccccc2)S1 9008469 KOVIPTXHAGFOFG-RUZDIDTESA-N 503.971 5.838 5 40 KKBB COc1ccc(-c2nc3oc4ccc(Br)cc4c(=O)c3c(=O)n2CCc2ccccc2)cc1 11851720 ANVBLOILMPFLRV-UHFFFAOYSA-N 503.352 5.184 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)cc2[N+](=O)[O-])cc1 100368250 KBKPRWXYIBUENW-UUYOSTAYSA-N 531.442 7.598 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 102955978 RVJNPKVPCKOEAF-ZMZJTNPCSA-N 540.834 7.992 5 40 KKBB C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@]43C)[C@@H]2[C@@H]1C 104131410 ZVZUAPRVZSTVHG-IKFGXQPISA-N 620.831 9.706 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nc5cc(Cl)cc(Cl)c5o4)cc3)cc2[N+](=O)[O-])CC1 105223263 VRVSYUFFRBQXFW-UHFFFAOYSA-N 525.392 7.198 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 150391877 FLGUOJCHWINKHA-FWESEHMYSA-N 642.089 5.766 5 40 KKBB COc1ccccc1N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 150446716 IAQFGQYHBJOZEH-UHFFFAOYSA-N 704.501 5.670 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222677946 CDCHNCGIWXYMFA-HHHXNRCGSA-N 665.596 5.746 5 40 KKBB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 223442074 VXFJWXLRQHCUBC-FTJBHMTQSA-N 516.579 5.440 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223640974 MRXQEFYLVSPNFT-DEOSSOPVSA-N 514.409 5.220 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224850098 IPRIOVIZCRYRCP-QGZVFWFLSA-N 538.497 6.001 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224926460 GVVZEUBEJYSQGS-DHUJRADRSA-N 719.260 6.459 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225330911 CSMZCYJBHLCAAL-MUUNZHRXSA-N 534.056 5.880 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408569220 JDZDPGHGKWCFNI-DEOSSOPVSA-N 584.452 6.244 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408659545 VXSDRDLRGOOVGX-DZUWIXTPSA-N 746.559 7.253 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730098 NBMLCAUYBCTQHG-UPWSPCOFSA-N 650.496 6.533 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 408821042 BUDGBPSLNIFZFZ-ZFWDJNJRSA-N 737.843 7.008 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408996150 OIPQRZZTRHCHKJ-KMCFWPMWSA-N 821.569 7.670 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408997592 HICWZFSYMKMSTL-GWXNNEATSA-N 709.802 5.735 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c2=O)=N1 409036728 LVKAXUZEZHDRFW-LCQSEVKBSA-N 666.550 5.826 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1 409141956 KIRWHPMLTXLPSU-DBLMTGOPSA-N 655.783 5.463 5 40 KKBB Cc1c(-c2ccc(Br)cc2)nn(Cn2ccc([N+](=O)[O-])n2)c1-c1ccc(Br)cc1 2733370 NCZXVDRXPLNBIQ-UHFFFAOYSA-N 517.181 5.661 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1 8401049 RMQDAOXXPDCYPP-MFCBUNOESA-N 639.608 5.526 5 40 KKBB O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8900109 XZTIVTUWFADBHL-UHFFFAOYSA-N 507.344 6.018 5 40 KKBB Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 22636717 NZFCDFZMLZSFPJ-FYWRMAATSA-N 507.502 6.814 5 40 KKBB CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@]2(CCC(c3cc(C)ccc3C)=NN2c2ccccc2)S1 97951754 HEKFVSFGBWYDGC-MUUNZHRXSA-N 529.622 6.000 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OCc1ccccc1C 100230726 RDKFUJSBEYHMQF-NHDPSOOVSA-N 527.360 6.532 5 40 KKBB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 103011089 OKCYGVUCZWQPKD-UHFFFAOYSA-N 526.540 7.093 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n31)c1ccccc1CC2 104654986 CAJOWAQSOPYBJW-IMUCPKNRSA-N 575.646 5.804 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105322519 UIAMUKVGSABEHP-UHFFFAOYSA-N 538.004 5.046 5 40 KKBB COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 222550069 HXNSLLJNYXYNQD-GDLZYMKVSA-N 575.662 5.080 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223564854 COKNJDCZMQWDQX-RUZDIDTESA-N 714.068 6.789 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223776392 MKFGYHHLIAUUPE-NLGDKJDOSA-N 707.647 6.107 5 40 KKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 224650097 KMQBYRANHBZJND-WDYNHAJCSA-N 534.597 7.219 5 40 KKBB COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224782646 FVAJKRQXIZNLAA-IHLOFXLRSA-N 579.707 7.117 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 225228839 BMGPSWADNQLEHX-SXOMAYOGSA-N 559.604 5.020 5 40 KKBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)cc1 225377918 JHVUAKBBBLRSKA-NSOVKSMOSA-N 525.634 6.279 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260980990 KZAPNNHQAJWXRQ-JGCGQSQUSA-N 725.239 6.454 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408570041 YFJGEKLSQGOTNF-CIHKJSBTSA-N 572.843 5.212 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1C 408570968 MMPMIIKRHDXJBL-VWLOTQADSA-N 554.028 6.443 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 408571895 PUOGEXIZEKOKCP-XMMPIXPASA-N 584.452 6.244 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408634443 RHECPCACAPEBAY-BKUYFWCQSA-N 510.959 6.313 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408642330 MVDJADDVAKPGEN-SADWXVNCSA-N 841.098 7.808 5 40 KKBB COc1ccc([C@@H]2C=C3c4c(ccc5ccccc45)OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]23)cc1 408732250 PYZJUSTVFVXUJI-POBVQFHHSA-N 580.980 5.932 5 40 KKBB Cc1ccc(C)c(NC(=O)CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c1 408750411 MMXNAYUXEOECPW-UHFFFAOYSA-N 518.576 5.353 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Br)cc1 408995752 DNKLWEFBRADBCM-MFUBYVTQSA-N 673.339 5.492 5 40 KKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 409001712 QSOCZGLYJXLCNL-UHFFFAOYSA-N 544.405 7.288 5 40 KKBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(c4ccc(Cl)cc4)C(=O)[C@@]3(c3ccc(Cl)cc3)C(c3ccccc3)=C2c2ccccc2)cc1[N+](=O)[O-] 409053416 CLCPRJQAKPHVNG-QFMXGDCESA-N 729.572 8.016 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Br)C3=O)o2)c([N+](=O)[O-])cc1C 409167716 JLEQGVCQUVFSPJ-NHDPSOOVSA-N 513.369 6.471 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409175444 RLWOBDVUVCXDOW-MFKUBSTISA-N 547.589 5.556 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 409223667 HNDWJGXXSUESDU-SSDVNMTOSA-N 584.360 5.977 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409344934 IDMMQPSCQBVABW-FOKLQQMPSA-N 677.327 6.382 5 40 KKBB C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 3250459 AFDBLPLOPGPCTM-GFCCVEGCSA-N 521.740 5.970 5 40 KKBB O=C(Nc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 4181871 YSRJHVSCFCFMPZ-UHFFFAOYSA-N 517.108 7.161 5 40 KKBB COc1cccc(-n2c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc3ccccc3c2=O)c1 12619918 BYPFIBZGRFBHBW-CQSZACIVSA-N 510.959 5.075 5 40 KKBB C[C@@H](Nc1cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 33355284 XRZRZZBQPAPSNF-HWWKNPRSSA-N 567.528 6.337 5 40 KKBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 96398767 VGBBXJUWSWAXFG-QBXNEHLRSA-N 514.028 6.573 5 40 KKBB CCOC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(C=CC(c3ccc(CC)cc3)=NN2c2ccccc2)S1 97951197 ASBROZSMOZBREZ-NDEPHWFRSA-N 527.606 5.722 5 40 KKBB CC(C)(C)c1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(C(C)(C)C)c1O 97954376 DIIJGUKJVOJOLH-KLJDGLGGSA-N 543.620 5.947 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100957596 WNBYORQLVDUZKP-UHFFFAOYSA-N 553.381 5.134 5 40 KKBB COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1cc2ccccc2o1 101147657 OTTZDXDETZDNHQ-NTCAYCPXSA-N 523.501 6.514 5 40 KKBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1OC1CCCCC1 101658607 YQCYNCRLCNRBQP-UHFFFAOYSA-N 522.467 7.075 5 40 KKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)OCc3ccccc3)ccc12 102498623 MUNRFSXPEHXXPM-GDLZYMKVSA-N 576.605 6.188 5 40 KKBB Cc1ccc(NC(=O)[C@@H]2SC(NC3CCCCC3)=C(C(=O)Nc3ccc(Cl)cc3Cl)C2=N)c([N+](=O)[O-])c1 102930220 IDGOBCAWGPZIDR-JOCHJYFZSA-N 562.479 6.056 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105312030 KIHWTBJRGUSKFZ-UHFFFAOYSA-N 535.006 6.912 5 40 KKBB O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 106020937 BBUWHNWAKLCWMN-ZONZVBGPSA-N 569.957 5.519 5 40 KKBB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@@H]([N+](=O)[O-])[C@@]2(Cl)C1 123229577 IEVVBUBYACFXQB-YILKZWTPSA-N 510.159 7.656 5 40 KKBB CC(=O)c1ccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)/C(=C/c4ccc([N+](=O)[O-])cc4)NC(=O)c4ccccc4)c3)C2=O)cc1 150483076 IBQBGBYNSSARRW-BLIVLRGHSA-N 634.670 5.631 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 163226913 BSLJILFSUYVXTG-LXYLXTGBSA-N 652.523 5.354 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C 224107251 IGAQKPOPKSRYJI-KAYWLYCHSA-N 541.633 6.330 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224854317 MXPQEMXTJIYPPJ-NRFANRHFSA-N 647.581 5.963 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl 224967833 RSPWJRYFNYCUQI-RPWUZVMVSA-N 505.987 5.620 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225040925 NIBQDPBIZRIYII-PMERELPUSA-N 606.745 5.355 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225364886 XKCHBWRNXQUSII-HKBQPEDESA-N 650.798 5.406 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1F 225619427 XYNDXCBERBNLQN-UIOOFZCWSA-N 531.569 5.390 5 40 KKBB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 229605040 MADWQJQPOQQSHX-IZJWOVIGSA-N 601.615 5.594 5 40 KKBB Cc1ccc(N(CC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 245228236 KWGSPEIZXIERNL-XODKDNOYSA-N 520.051 5.001 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260894506 GNYFYDVKFTZQFM-UUWRZZSWSA-N 733.685 6.642 5 40 KKBB CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408555019 FLBHUSKDZAXKPI-QHCPKHFHSA-N 515.931 6.126 5 40 KKBB CCCc1nc(S/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)O)n[nH]1 408633493 ZCPCBXCOBDBMHC-XHPQRKPJSA-N 551.628 7.008 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(Cl)cc3Cl)c2=O)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732839 UCDOJZRWGZVKHK-UWRMONIRSA-N 654.528 5.710 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408831350 QOQDCGKMQXKVCR-FHQMNNMHSA-N 753.584 5.965 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)c1ccc(OC)cc1 408838776 IGKNDLIPQMNWRX-UDWIEESQSA-N 578.986 6.434 5 40 KKBB CCN(CC)c1ccc(N2C(=O)c3cccc4c(-c5ccc(C(=O)O)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 409001929 YABDMDIFSHFEHO-UHFFFAOYSA-N 509.518 5.760 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409050651 YDGGKFVRQBQTRU-IVRZUQNJSA-N 845.519 5.761 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1/N=C(c2ccc3c(c2)OCO3)OC1=O 409196078 YTUYGUTYBCKTJB-KCHOUBKZSA-N 642.212 5.812 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409216512 ISOQKWUBYSMETN-FOKLQQMPSA-N 589.851 7.229 5 40 KKBB Cc1cccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 409248710 IDCRQUVDFQEBRR-LPYMAVHISA-N 522.355 5.338 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409342950 HBZQPODSHNZDJO-GKTKDVHMSA-N 760.006 5.861 5 40 KKBB Cc1ccc(NC(=O)C(=Cc2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)C(=O)Nc2ccc(C)cc2)cc1 3303178 WKZRSHAUGYXWNF-UHFFFAOYSA-N 525.590 5.814 5 40 KKBB CC1(C)O[C@H](C(SCc2ccccc2)SCc2ccccc2)[C@H]([C@H](O)COC(=O)c2ccc([N+](=O)[O-])cc2)O1 4991060 FHVAEXJDMFGHSI-ZNZIZOMTSA-N 569.701 5.826 5 40 KKBB COc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c([N+](=O)[O-])c1 6164027 UJIVCWIHDSLBMT-LJQANCHMSA-N 593.203 5.020 5 40 KKBB CSc1ncccc1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 12581750 ODFOXUOQYXRQMO-SFHVURJKSA-N 502.346 5.011 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 53298036 SKRJGQHXGJGZLB-QRVIBDJDSA-N 520.519 5.117 5 40 KKBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)N4CCN(c5cccc(C)c5C)CC4)nc2c31 70707882 XRMNYTXEPAIZND-UHFFFAOYSA-N 546.627 5.188 5 40 KKBB biogenic Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(-c3ccc(OCc4ccc(Cl)cc4)cc3)cc(C(F)(F)F)c12 98045580 WMAQPFIJDQLFDP-UHFFFAOYSA-N 538.913 7.555 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6cccc(Cl)c6Cl)o5)nc34)c12 98046190 OPCAPEQGCPWFBB-UHFFFAOYSA-N 550.349 7.360 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 100656016 LMAQIYCMSJFVFQ-KARJICKBSA-N 543.579 5.037 5 40 KKBB C[C@H]1N(C)c2cc(NC(=O)c3ccc(F)cc3)c([P@](=O)(Nc3ccc([N+](=O)[O-])cc3)N3CCOCC3)cc2C1(C)C 110551587 XARKRFDPAWSMRI-QNJPAKPISA-N 581.585 5.365 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 150395098 LZEFUBDXTGGHDG-PLNPHXOGSA-N 635.673 5.562 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(Cl)cc1Cl)[C@@]21C(=O)Nc2ccccc21 150422402 QKIIMVJPMJSBIP-IANDGLOUSA-N 624.480 7.148 5 40 KKBB O=C(COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)Nc1ccccc1Sc1ccc(Cl)cc1 150506064 GFUUTRIZNVUCNW-UHFFFAOYSA-N 624.524 5.635 5 40 KKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccc(I)cc1 215211720 GDZONKSZDQSGBM-OEAKJJBVSA-N 521.379 6.834 5 40 KKBB CC[C@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)cc1 215966980 MTBNXEKLIDOJEA-QFIPXVFZSA-N 562.044 5.037 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223555514 PPWSVOBKBHJFQT-SSEXGKCCSA-N 679.593 5.329 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223601333 TUYAMMRDHWIPMD-SSEXGKCCSA-N 669.587 5.873 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224535850 XSLZYMNHZCUDBN-AREMUKBSSA-N 635.570 5.222 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224825874 VBHKBCZBGIVMOC-YTTGMZPUSA-N 628.751 5.263 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225090127 GOFHAFLBMUVVIC-CONSDPRKSA-N 591.649 6.444 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225392965 XBRCNLQZKYWERN-MUUNZHRXSA-N 517.601 5.365 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260992514 QGPOTRAOJVFNDM-UXHICEINSA-N 621.543 5.429 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 408572387 RAHPZMKVLJMNNM-DEOSSOPVSA-N 512.994 6.366 5 40 KKBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2ccc(Cl)cc2Cl)cc1 408676561 ARTPDNOXINZYGJ-QFIPXVFZSA-N 506.363 5.508 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408687179 SZSLQZJBRAUEIV-UHFFFAOYSA-N 716.962 6.498 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 408835956 ZYIRKMIZPDKWCU-ZSJKCPIUSA-N 703.398 6.355 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)cc1 408848657 SCCOZAYSCGXAOI-YKDHLIQDSA-N 757.872 8.306 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409032212 LQOKEMSSNQLKHY-GWRYVSOYSA-N 712.608 6.388 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N1 409035854 QTGBKFPOLUWUCH-ZMTYCLHQSA-N 722.614 5.845 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409040036 SFVKWPXIJNLPEJ-FZEVDNDPSA-N 757.059 6.497 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409105573 LETLEYCMGVQGAW-DWLKXISJSA-N 662.768 5.753 5 40 KKBB O=C1N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 409111248 BAWABYISERAPQQ-KEBDBYFISA-N 607.642 6.450 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409149973 WXUBPJNJXQNWEF-AWQNYARGSA-N 796.321 7.426 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc(Br)cc1 409192324 ATZWBARMCHCPRG-GRSHGNNSSA-N 651.061 6.446 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409269571 CSNFGUWYNBJSSI-MFKUBSTISA-N 563.588 5.256 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409273628 KKANPRUJPDFEJK-MFKUBSTISA-N 563.588 5.256 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409274887 QYGBEEXDPRFEGO-AFUMVMLFSA-N 552.992 6.145 5 40 KKBB CC1(C)CCCN(CCCNc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1 9014198 YLLNFSHWVSZQTB-UHFFFAOYSA-N 537.704 7.162 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 97971276 CSEVLRDDKRAYBV-UITCBPOKSA-N 612.599 5.685 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 98087296 BDGKJDPALJNTSZ-MFKUBSTISA-N 504.564 6.117 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1cc(Br)c(O)c(Br)c1 100309970 UVSVWECYUMQJAM-DUXPYHPUSA-N 535.601 5.005 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 102512435 LJUAMUHYLHHXHT-RWIFEVTBSA-N 604.615 6.500 5 40 KKBB Cn1ccnc1Sc1ccc(/C=C2/C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)O)cc1[N+](=O)[O-] 102970387 KCKLVTIYTVIANC-LJLZWOEMSA-N 528.634 6.875 5 40 KKBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 104120841 PKKPLMZAKHMKLU-UHFFFAOYSA-N 515.172 6.051 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c2=O)=N1 104676710 OQVZLQVEAAISTG-UNDLXJOSSA-N 599.709 6.179 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]23)cc1 150365443 YDBRFTUWPFMXJZ-GMQJOBGYSA-N 697.143 7.454 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223262369 WIASPXCCUCCSSL-WXVAWEFUSA-N 519.667 5.383 5 40 KKBB COc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1C(C)C 223278974 XXTLTDLUHVIQGB-HXUWFJFHSA-N 525.627 5.108 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225088189 RWUMLRQJFVFAOY-VWLOTQADSA-N 631.151 5.094 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225616663 SHBBQIODLOXDAZ-YTTGMZPUSA-N 697.641 6.653 5 40 KKBB CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225635778 OIHQEFVPQJAEDG-IBGZPJMESA-N 607.516 5.039 5 40 KKBB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 229893702 UHXKNIZXANIXRU-KVOHOPFUSA-N 601.615 5.468 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 247290625 ARFPDNHPVKDBPQ-NBJHOTSESA-N 541.563 5.451 5 40 KKBB Cc1ccc2c(c1)N1[C@H](C(=O)c3ccccc3)[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]1C=C2 253487872 SETJNAPNEKCWEW-HPNWTYDNSA-N 555.590 5.759 5 40 KKBB c1ccc2c(c1)[C@@H]1C[C@@H]2C23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c%14c%14c8c9c8c%10c9c%11c%10c2c(c%20c%10c%22c9c%23c%148)c4c%19c%12c%17c5c%16c%136)C%152[C@@H]4C[C@H](c5ccccc54)C%18%212)C713 263619376 YLXQIZGBVUNXAF-LEHQPKPVSA-N 952.986 19.427 5 40 KKBB COc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC 408566710 FZVUSGLWFYOTTG-FQEVSTJZSA-N 507.410 5.082 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Br)cc1 408683785 MDXBOFCIWGUWML-QKCPIRFBSA-N 730.997 6.044 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408687297 UCKSZSWFIDQUCV-TUSFPTNYSA-N 692.981 6.906 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4ccc5ccccc5c4C3=C[C@@H](c3ccccc3)[C@H]2C1=O 408733518 YVTDQJKTMGFJKJ-SIZNEBELSA-N 530.536 5.578 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)o1 408870193 SDQUNTIUPXYVLS-JAIQZWGSSA-N 531.468 5.857 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 408918406 KCVCWLHQPHGMOE-YDZHTSKRSA-N 630.448 6.149 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1 408922304 DBNKMKBIKFBKMZ-IMUCPKNRSA-N 622.703 5.027 5 40 KKBB O=C1N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(Br)cc1 408928556 CCQBZHKTIFGIJM-SRZZPIQSSA-N 666.120 6.554 5 40 KKBB O=C1N/C(=C\c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C(=O)N1Cc1ccc(Cl)cc1 408932132 ULZFTPMRMFHVAV-MYYYXRDXSA-N 513.937 6.073 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408936787 PXHZCYHHAVSYGL-UUYOSTAYSA-N 616.421 5.759 5 40 KKBB Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 409027010 PRSYTMINBUZWDY-UHFFFAOYSA-N 536.009 6.204 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409030741 HPJPQNPSSAWKPR-UHSYMONFSA-N 687.771 5.480 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1Cc1ccccc1 409134485 UCPZTYBUMPYEIT-UMSFTDKQSA-N 624.524 8.842 5 40 KKBB CC(=O)Oc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409135236 XTSDOJXTCNRXCK-GDLZYMKVSA-N 507.546 5.882 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409161013 SHZYLPAUEGDWEI-KSEXSDGBSA-N 618.045 5.008 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 409187937 DIDKOTXXBASOJF-FATJQOLTSA-N 752.253 7.004 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409205176 GBMBQQSIFRQECS-AUEPDCJTSA-N 700.873 7.896 5 40 KKBB COCCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409232320 NWXXTUQBZMMYRA-XDHOZWIPSA-N 507.362 5.009 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409241938 ZLDNYWWQPDNQAT-WSDLNYQXSA-N 599.381 5.188 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1F 409275518 VKDIKUUHTXLYLE-ZVBGSRNCSA-N 579.459 6.359 5 40 KKBB O=[N+]([O-])c1ccc2[nH]c(=S)n(/C=C(/c3ccc(Cl)cc3)S(=O)(=O)Cc3ccc(Cl)cc3)c2c1 1637230 DBWVHDCADROUMD-MTJSOVHGSA-N 520.419 6.484 5 40 KKBB CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)cc1 2431522 VKIMGWAQXLSMKK-UHFFFAOYSA-N 523.980 5.470 5 40 KKBB CC(C)(C)c1ccc(COC(=O)c2ccc(N3C(=O)c4cccc5c([N+](=O)[O-])ccc(c45)C3=O)cc2)cc1 3327683 SMSLZFPWFLCZMM-UHFFFAOYSA-N 508.530 6.203 5 40 KKBB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4109839 DYIMIOLDUQEXEF-UHFFFAOYSA-N 504.490 5.601 5 40 KKBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1cccc(Cl)c1Cl 6474770 JOJXZPMRHAHMMN-UHFFFAOYSA-N 500.367 5.880 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(CC)cc3)cc12 11852764 JZBJNJALCCJFGC-UHFFFAOYSA-N 536.562 5.424 5 40 KKBB CC1(C)CC2=NN(c3ccccc3)[P@@](=Nc3ccccc3[N+](=O)[O-])(N3CCCC3)C2=C(N2CCCC2)C1 15906615 WAUDEXCYOVUHOM-QNGWXLTQSA-N 518.602 7.357 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 16399270 OAFSUZWLLTTXGQ-JWQCQUIFSA-N 500.507 5.424 5 40 KKBB CC(C)(C)c1ccc2c(c1)[C@@H]1c3ccc(C(C)(C)C)cc3[C@@H]2[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 100494557 DXEVLMYTGDEGKM-JUDWXZBOSA-N 508.618 6.586 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@H]1C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)N(c2ccc(C)cc2)N=C1C 100922641 IHHQXWNDVVPVIP-CLJLJLNGSA-N 509.566 5.373 5 40 KKBB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc2nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2c1 100928865 HOJZDZIPKRIXHQ-ZDUSSCGKSA-N 544.998 6.632 5 40 KKBB CC(C)[C@H]1CC[C@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H](C[N+](=O)[O-])c1ccccc1 102675566 VAMMHMBTLSBKCE-KPBQRPCKSA-N 507.652 8.152 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n31)c1ccccc1CC2 104654914 APNVMYQOOPSMIG-OBDCIHEFSA-N 596.064 6.149 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N1C/C(=C\NC(=S)Nc2ccc(Cl)cc2Cl)C(c2ccccc2)=N1 105008658 LLLAEWRFMWMZHI-GHRIWEEISA-N 526.405 5.632 5 40 KKBB CCc1ccc(C(=O)N2c3ccccc3[C@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3)C[C@@H]2C)cc1 105513409 YYXQXAHVKXATHR-KCWXNJEJSA-N 610.135 8.852 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 150353212 AWHPNBWXUBQEGS-WXHPKRHJSA-N 632.672 6.792 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccc(C)cc2C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 164566459 DXJFPWVXRIDUPS-NGPGRIRTSA-N 704.805 6.385 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215014736 INIDWEQCWXIZHF-SRZZPIQSSA-N 545.451 6.551 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222647440 VGZFTCCMIDHCDF-NRFANRHFSA-N 631.151 5.093 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223571467 ZQWLANATOGKTDC-HKBQPEDESA-N 758.091 6.299 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 225147044 HKXQEHJCXGXGRZ-FTJBHMTQSA-N 562.051 6.675 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225220227 CXFBSXKDHZBUHI-XMMPIXPASA-N 552.524 6.391 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260990700 NMIWTNIWYBNQKY-UUWRZZSWSA-N 788.150 7.766 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261070242 PMXCUUBWRMPDJC-JKFCTSDTSA-N 707.249 6.315 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408563535 AXISQPVHCFXRBU-JUQGWHLPSA-N 566.452 5.303 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 408570598 LMXKPQSDFVONAU-RUZDIDTESA-N 599.507 6.353 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(F)cc1 408577786 ZWKFLRKRHUMUHC-QHCPKHFHSA-N 533.412 6.711 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688328 VZTSWAUWUJBEAB-FZDFQQAASA-N 608.994 5.606 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)c1ccc(Cl)cc1 408749872 JSUDFQGBYZHUOZ-UHFFFAOYSA-N 509.952 5.634 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C)o1 408992152 ZVVQAJIFGIQYII-HWMPQDOQSA-N 632.876 5.284 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(C(=O)OCC)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409031099 GILSZHOUYDDLSS-DBHVVYFFSA-N 794.677 6.021 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409037530 SQVQNAPUGVAESF-LMWPEEHHSA-N 741.697 5.468 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1 409412628 YUEPUEYXTPQGDO-UHFFFAOYSA-N 540.399 5.350 5 40 KKBB O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 1063463 PIKJMEIBSSUAOF-UHFFFAOYSA-N 515.865 5.153 5 40 KKBB COc1ccc(NC(=O)CSc2nnc3c4sc5nc(CC(C)C)c6c(c5c4ncn23)CCCC6)cc1 1299617 RPUUEOYVUYABLQ-UHFFFAOYSA-N 532.695 5.704 5 40 KKBB C[C@@H]1CCc2sc3c(c2C1)c(=O)n(-c1ccc(Cl)cc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n31 1839140 ZQVUHYQCTASDLE-CQSZACIVSA-N 538.054 6.074 5 40 KKBB O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1 2799328 BVJJWCQLLIUTOS-UHFFFAOYSA-N 562.476 6.872 5 40 KKBB Cc1cccc2c(SCCCCCCSc3c4ccccc4nc4c(C)cccc34)c3ccccc3nc12 5487910 URHNYISJEADTQC-UHFFFAOYSA-N 532.778 10.151 5 40 KKBB CCOc1ccc(Nc2nc(/C=C/c3ccc(Br)cc3)c([N+](=O)[O-])c(Nc3ccc(OCC)cc3)n2)cc1 6090051 NRSOBHKXSKITSZ-CNHKJKLMSA-N 576.451 7.602 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)c3cccc(F)c3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 8984570 ZJGZIICLBHTMIW-HFESIUDZSA-N 506.622 5.713 5 40 KKBB CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 9543561 KRHHGEAVEWJEJZ-UHFFFAOYSA-N 504.495 5.125 5 40 KKBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nc2cc([N+](=O)[O-])ccc21 15982304 QMWFHJXGCHUDHX-UHFFFAOYSA-N 502.474 5.692 5 40 KKBB CC1(C)OCC(c2ccc3c(I)c(OCc4ccccc4)ccc3c2)([N+](=O)[O-])CO1 82048731 QPPLQJQIHCDCLP-UHFFFAOYSA-N 519.335 5.278 5 40 KKBB O=C(CSc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 100286846 QQBDXPDLBLQOKP-UHFFFAOYSA-N 612.756 6.243 5 40 KKBB COc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 100397974 PUDKMHCGCZVGKQ-HSZRJFAPSA-N 610.575 5.394 5 40 KKBB COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccccc1Br)CC2 100819010 MFJOXOOVNUIFMD-JOCHJYFZSA-N 527.371 5.193 5 40 KKBB CCOC(=O)C1CCN(CCCNc2cc3oc4cc(C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)CC1 101042525 CGJJTLCSNKDBPL-UHFFFAOYSA-N 539.632 5.326 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105318056 QUJVNKOIZNZXSC-UHFFFAOYSA-N 580.022 5.190 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Br)cc1 106743626 IIOKYIYDNFHBKU-OYKKKHCWSA-N 569.433 6.572 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2)cc1 112243175 LRVOTIKEBHLTOA-UHFFFAOYSA-N 561.664 5.108 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 150353210 AWHPNBWXUBQEGS-HOSOATPESA-N 632.672 6.792 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223815859 ZZXORKOLHAXEGL-DCFHFQCYSA-N 588.557 6.690 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223934122 FJAUAGKUKCYHCP-GJBXTBEHSA-N 776.139 7.622 5 40 KKBB COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224621335 IUZSIYVXTIHSGD-YTTGMZPUSA-N 658.777 5.354 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 408566659 FXMIFONCACJWIK-MHZLTWQESA-N 627.561 7.133 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1ccccc1 408572621 RNBGFNVUXMXLHQ-QFIPXVFZSA-N 533.412 6.711 5 40 KKBB COc1cc(CNc2ccc(Br)cc2C)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408606462 ITKQCJANFOITEJ-UHFFFAOYSA-N 637.190 7.702 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4c(ccc5ccccc45)C3=C[C@H](c3ccccc3)[C@@H]2C1=O 408732374 QIBGKYGNJUNOOG-COMWGTSQSA-N 530.536 5.578 5 40 KKBB Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4C(=O)O)cc3s2)c1 408751072 WBWRKTVDIDBJEM-UHFFFAOYSA-N 522.564 5.194 5 40 KKBB O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408837993 BEIZJBKXTLOBKA-LFYBBSHMSA-N 508.693 5.478 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(C)cc1 408916750 GWDAYBQGQKCANZ-MFKUBSTISA-N 504.564 6.117 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409091358 PRFYFGWYTFMLSK-MFCBUNOESA-N 666.575 5.629 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409104744 HVBPVPKGOYLYLT-SVXDAGRPSA-N 622.703 5.434 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 409189886 UNIHXAVMIXOWPI-ZMTYCLHQSA-N 770.680 7.034 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 409217935 RTAVUIIBMMSXMO-SRZZPIQSSA-N 545.798 6.831 5 40 KKBB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Oc2ccc3c(oc(=O)c4ccccc43)c2C)cc1 2092951 VTNYARNCVYXAQF-AREMUKBSSA-N 527.598 5.058 5 40 KKBB biogenic O=C(Nc1cc(-c2nnc(-c3ccccc3)o2)cc(-c2nnc(-c3ccccc3)o2)c1)c1ccc([N+](=O)[O-])cc1 3663492 MVTVPUYENLHTMN-UHFFFAOYSA-N 530.500 6.281 5 40 KKBB O=C(NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8833001 DDIUWZWVWXUAEX-UHFFFAOYSA-N 509.613 5.026 5 40 KKBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 12546897 BRNHPYNFAQRWCR-HSZRJFAPSA-N 506.408 5.516 5 40 KKBB O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14277736 GVXYKDVHUQCUPY-UHFFFAOYSA-N 513.337 5.799 5 40 KKBB COC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(C=CC(c3ccc(Cl)cc3)=NN2c2ccccc2)S1 97951919 SZTVBADVPQSJOP-RUZDIDTESA-N 519.970 5.422 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]3c2ccc(OCC)cc2)cc1 97971167 OVEBLQBUPDIOPA-JWABDOFGSA-N 560.050 7.482 5 40 KKBB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(SCC(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)s1 100816870 QTOFEBZUBZPQSX-UHFFFAOYSA-N 598.475 5.020 5 40 KKBB O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccc(Cl)cc1)N2)c1ccc([N+](=O)[O-])cc1 101007379 YQCQNCMMZYAIDQ-OAQYLSRUSA-N 507.337 5.801 5 40 KKBB O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)Nc1nc(-c2ccccc2)cs1 102764606 WIHMBDIAKBJWPJ-UHFFFAOYSA-N 522.615 5.159 5 40 KKBB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307854 GDODRUJQNSDTMA-UHFFFAOYSA-N 570.458 6.745 5 40 KKBB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3O)nc2c1 105310632 OKHLAJNNQQZOTC-UHFFFAOYSA-N 528.546 6.058 5 40 KKBB CC1(C)[C@@H](NCCCn2c(=O)c3ccc4c(=O)n(CCCN[C@@H]5C(C)(C)[C@@H]6CC[C@]5(C)C6)c(=O)c5ccc(c2=O)c3c45)[C@@]2(C)CC[C@@H]1C2 150385093 MJPRHFOANHCPIC-SSNSPPBXSA-N 652.880 5.455 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 150449896 WHUILLXMHGBPRO-PFBJBMPXSA-N 650.463 5.176 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1c(Cl)cccc1Cl 214786029 JVFQJCSWIOVYPU-UFFVCSGVSA-N 546.344 6.839 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224776497 KXOSWZIMDXWEKS-QFIPXVFZSA-N 526.486 5.714 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260974545 AJWPMJJISLNGSN-VXKWHMMOSA-N 631.151 5.093 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl 408565565 LKASHLKONSLWSJ-BBFXTFFKSA-N 554.430 5.636 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 408566027 DPFVTJPQGPCTBT-RUZDIDTESA-N 525.030 6.235 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(F)cc1 408571162 NXWRWGDETRGDTK-QFIPXVFZSA-N 551.402 6.850 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1F 408571818 PPBGMLFJGFNMRP-RUZDIDTESA-N 543.020 6.456 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 408572393 RAHZZQXZGJYXNK-XMMPIXPASA-N 603.926 7.079 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408576508 XNNYSQKNBAKPGS-QHCPKHFHSA-N 579.893 7.234 5 40 KKBB Cc1cc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(N(C)C)cc2)C3=O)ccc1Br 408756934 KOIIQBZAOBVTMU-UHFFFAOYSA-N 530.378 6.353 5 40 KKBB O=c1/c(=C/c2cccc(OCc3ccccc3)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408842190 NQLQDLNQEYYWFA-HZHHUVPKSA-N 571.658 5.806 5 40 KKBB O=c1/c(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408843672 RPUASSDJICJACX-GSTVVXAASA-N 589.648 5.945 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(C)cc5[N+](=O)[O-])C(=O)[C@@H]34)c(=O)n2[C@H]1c1cccc2ccccc12 409050557 WYKSLJBZRRCEFU-CHFLVDFXSA-N 786.866 6.371 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409067863 DJKIVOKNRNWIPD-UFFVCSGVSA-N 556.344 5.177 5 40 KKBB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409086243 QEEZIEJOHQPJJS-STZFKDTASA-N 530.444 5.669 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCCC3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409099733 TUKFPDWQOABJJX-UOZQHNDTSA-N 653.805 5.554 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409154111 FUZIQDHSYAEDCE-ZVHZXABRSA-N 551.552 5.387 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)N1CCN(c2ccccc2)CC1 409198394 FMNXSWPBMJCUOI-ONUIUJJFSA-N 637.512 5.321 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409227482 YXYCQYGERTUNEU-AUEPDCJTSA-N 571.970 5.650 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 409273932 AITYMXIVHCAWEV-WAHKBFHJSA-N 666.800 5.867 5 40 KKBB CCO[P@@]1(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)=NN(c2ccccc2)c2c(F)c(F)c(F)c(F)c21 2318973 NUBQQBYVELLBPF-PGUFJCEWSA-N 507.336 5.439 5 40 KKBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](C[N+](=O)[O-])c1ccc(N(C)C)cc1 8836574 VFILCUMPYXSAII-ZDWKDTRSSA-N 550.721 8.218 5 40 KKBB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 98003525 QQEPEUKHYHIKMB-UHFFFAOYSA-N 610.746 7.475 5 40 KKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 101139958 IZZYPDFSAXWOSP-UHFFFAOYSA-N 532.931 6.851 5 40 KKBB CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 101589805 KHCJVOYEERZCRS-SPOCJGCTSA-N 599.599 5.502 5 40 KKBB Cc1ccc(Sc2ccc(C(C3C(=O)CC(C)(C)CC3=O)C3C(=O)CC(C)(C)CC3=O)cc2[N+](=O)[O-])cc1 102899183 JOIQDCOQJQJRKD-UHFFFAOYSA-N 535.662 6.287 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 103515107 WCAMSUCLLGQXNT-MFUXGYHDSA-N 531.524 5.044 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1 105304581 AVIVKGVYSOXTSZ-UHFFFAOYSA-N 561.019 7.567 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc(-c2ccc(Br)cc2)o1 108972237 VRYYTTJYLMLAKF-UHFFFAOYSA-N 549.834 5.108 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 150396435 SDKKIOPHAJQWIJ-UHFFFAOYSA-N 663.881 5.624 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Br)[C@@H]1[C@@H]3C(Cl)=C(Cl)[C@@](Cl)([C@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl)C3(Cl)Cl 157678538 ACWWEAABJHNJCH-SSPVQVRNSA-N 763.168 10.100 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 215135250 MNEKSXVIQUXZLC-FOKLQQMPSA-N 528.945 6.211 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223613234 JNRFCFDXEGPNEP-YTTGMZPUSA-N 713.640 6.190 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224587230 SXBKTVXHGOICLZ-RUZDIDTESA-N 542.463 5.999 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc(Br)c3)cc2)cc1 224782205 JLMNWHZBZSSKAH-VMPREFPWSA-N 628.577 7.871 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225306313 BHVIHXCMUNACHX-SSEXGKCCSA-N 622.744 5.055 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225325324 BYUMOAHGVPPRDR-NDEPHWFRSA-N 580.081 5.725 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 408565552 CJUYACKREOEQRG-DEOSSOPVSA-N 557.445 6.475 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1ccc(F)cc1 408567539 GUJQYOVKEKSVKW-QHCPKHFHSA-N 588.415 6.075 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)O)n[nH]2)c1 408634546 VZVBTCSTZUAJOI-MYKKPKGFSA-N 564.576 5.203 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)c(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1 408757999 UDUOCNUPRGPGCK-FVUNBJOLSA-N 759.476 7.340 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408851230 WPQLNTMJTOLXMI-JLKMOJGBSA-N 613.692 5.073 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccs1 408915958 SKBUVWUFFPFRPT-OINPTKSXSA-N 688.183 6.146 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC 409102036 ZQLXQZBEZVKWFU-DDBFQISPSA-N 628.776 5.480 5 40 KKBB CC(C)CN1C(=O)/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c2ccccc21 409119904 UVDZWFZDUCBMHR-NHDPSOOVSA-N 680.280 6.926 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409161470 XSFHZCQBVUZPEI-MFKUBSTISA-N 561.616 5.864 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 409183473 SQQWWWRAGGGHDX-UHFFFAOYSA-N 527.554 6.313 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)ccc1Cl 409199047 GUJMNWJHJPMXGL-BNCCVWRVSA-N 544.756 5.017 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5c(ccc6ccccc56)C4=C[C@H](c4ccccc4)[C@H]3C2=O)c([N+](=O)[O-])c1 409332171 HAZCVPFKZUGZLC-IIWBRFRESA-N 546.535 5.278 5 40 KKBB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409398751 GGSDIQGZFZRBQQ-ZDLGFXPLSA-N 634.823 5.461 5 40 KKBB Cc1cccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nnc2-c2c[nH]c3ccccc23)c1 3378167 HQXCFTDHQDGVEP-UHFFFAOYSA-N 518.986 6.016 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)cc1[N+](=O)[O-] 4089579 SHQCJFCNVWCGFB-UHFFFAOYSA-N 534.550 5.127 5 40 KKBB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 59882739 APNJZHGXFDEZIV-UHFFFAOYSA-N 616.677 5.383 5 40 KKBB CC(=O)Nc1ccc(Br)cc1C(=O)OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 100156197 YKXIBQKLXLOASF-UHFFFAOYSA-N 519.735 6.118 5 40 KKBB CC1=C(C(=O)OCCN(C)Cc2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N1 100377046 IBSBJKKZJRFYFN-UHFFFAOYSA-N 612.727 5.180 5 40 KKBB Cc1csc(Sc2ccc(C(=O)OCc3cc(=O)oc4cc(Br)ccc34)cc2[N+](=O)[O-])n1 103057644 CBQPSFLIXRRURL-UHFFFAOYSA-N 533.381 5.737 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 103531076 UHWKOJZFHIODKF-KIHHCIJBSA-N 534.355 5.174 5 40 KKBB O=C(c1ccccc1Cl)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103562308 YPPHDLHIAYXVKH-PBNWVGGGSA-N 576.008 6.230 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 103789781 YSECVLHJUTZBHV-MFCBUNOESA-N 592.073 5.743 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 104708712 SKZIGEZZUFAMJA-UHFFFAOYSA-N 578.112 5.119 5 40 KKBB O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105319380 OFEZYNCKQXVLMQ-UHFFFAOYSA-N 602.308 7.249 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 106020115 ABMYIXXHJCUTEE-UHFFFAOYSA-N 577.615 5.025 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)o1 106331685 SYASKPCZDOTIHU-ZSJKCPIUSA-N 594.045 5.017 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 138905733 RLZQCUOZSXTUQS-UDPYREPESA-N 571.589 5.036 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 163648858 WTDQPVRSCNPAJZ-PKYOQBLNSA-N 694.087 6.635 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c2=O)=N1 164203986 YUEMRWMLECQCPJ-MDYVMDJYSA-N 707.761 5.876 5 40 KKBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224402465 APIPRPVDDXECJU-RUZDIDTESA-N 607.516 5.040 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 224684152 FKXGHFKMLZOPSJ-KYJUHHDHSA-N 548.624 7.528 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225585187 LYBMMGQUMXEGCU-AREMUKBSSA-N 588.488 5.845 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260929186 VVVZCMRVOZLWNR-OAQYLSRUSA-N 665.596 5.603 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261112006 XZOACNDJFDEEOI-UBOZLPQGSA-N 707.249 6.315 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Br)cc1 408556207 IZWSZZQPGOZFQY-UHFFFAOYSA-N 522.193 6.320 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 408565541 CGHFVJZESFSPDD-XMMPIXPASA-N 587.471 6.483 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c1 408570596 LMQCMUZJRJREPC-DEOSSOPVSA-N 584.452 6.244 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)O)n[nH]2)c1 408635136 ZFHDZGFFRIJIJM-GTWSWNCMSA-N 645.697 7.740 5 40 KKBB CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 408643122 FOISESVTXRBDTF-DEOSSOPVSA-N 578.621 6.492 5 40 KKBB O=C(Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1)c1ccccc1C(=O)N1CCOCC1 408748371 CTHAJMFLZUJUAW-UHFFFAOYSA-N 534.619 5.222 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OCc1ccccc1Cl 408771873 KVZDWAQDQGSXQG-DBHVVYFFSA-N 715.025 7.230 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccccc1 408809017 HGJCBENSVAHHTN-NDENLUEZSA-N 637.249 6.782 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408843112 LQUYBGMDPHXJIV-WOJGMQOQSA-N 549.904 5.935 5 40 KKBB COC(=O)c1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408849015 XQQMZJUIFJARGM-UHFFFAOYSA-N 549.948 5.150 5 40 KKBB Cc1sc2nc(-c3ccc(SCC(=O)Nc4ccc5ccccc5c4)c([N+](=O)[O-])c3)nc(O)c2c1C 408990680 LJGREIDPWGAJBO-UHFFFAOYSA-N 516.604 6.473 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409033107 LARLNNCMJRHRTF-XXNQQEORSA-N 888.646 5.361 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c2=O)=N1 409034985 RPTXFBIPUYFYHS-LCQSEVKBSA-N 666.550 5.826 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 409088335 WXKUJUMDYPAWSY-JLHDDXNDSA-N 622.659 5.059 5 40 KKBB O=C(COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)NCc1ccccc1 409116909 MSARYBGVWBNKCJ-BHVANESWSA-N 612.686 6.651 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4cccc5ccccc45)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409141313 NCCAETAPTWRSED-DXUGRCAZSA-N 619.699 5.747 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409151031 FTWTWSRWFLSZQC-DHRITJCHSA-N 626.043 5.688 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 409178640 LTPBRDFHZDJCQH-UHFFFAOYSA-N 539.456 5.453 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409179170 PRFIVBLDUNSUAQ-HRIDGTDGSA-N 563.635 5.321 5 40 KKBB COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n21 409187788 CIPVUZFQZJGIEZ-UWRMONIRSA-N 772.092 7.000 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)ccc1Cl 409205755 SYLBQYYIPYQBNX-BHGWPJFGSA-N 612.016 5.297 5 40 KKBB O=C1S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C(=O)N1c1cccc(Cl)c1 409209675 HRIHSXNZZCWZEQ-MFKUBSTISA-N 516.962 7.221 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409219601 RZVQNMADWJNDCR-ZMOGYAJESA-N 549.517 5.613 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccc(Cl)cc1 409233333 FPNUTPOOPZXSSD-UDWIEESQSA-N 575.746 5.529 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)c1 409275866 MFRXJIUAOVAFSH-FSJBWODESA-N 548.533 5.587 5 40 KKBB CCOc1ccc2nc(SCC(=O)Nc3ccc4nc(SCC(=O)Nc5ccc(OC)cc5[N+](=O)[O-])sc4c3)sc2c1 409335195 KFNHSNZLAYIZNR-UHFFFAOYSA-N 641.778 6.683 5 40 KKBB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 409361723 QUUVMRWQNFDZFC-LJQANCHMSA-N 551.456 5.278 5 40 KKBB CO[C@@H](C)C1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5[C@H](C)O)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C 2242101225 AEWMCYQDHSDWMG-SFTDATJTSA-N 612.727 6.763 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(Br)c2)cc1[N+](=O)[O-] 3144595 QKBAYSOTKHECBO-UHFFFAOYSA-N 515.272 5.321 5 40 KKBB Cc1cc(C(=O)NCC(=O)O[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)ccc1[N+](=O)[O-] 3285653 FHYGFHQBXJYJHC-JOCHJYFZSA-N 549.889 5.228 5 40 KKBB aggregator CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(CCC(c3ccc(C(C)C)cc3)=NN2c2ccccc2)S1 8837410 YVCGPSZAYSNACY-NDEPHWFRSA-N 513.623 6.532 5 40 KKBB O=C(O)CCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 97961213 UZFCGTMTGFFKAQ-HSZRJFAPSA-N 589.402 5.408 5 40 KKBB CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@H]13 100749860 BHKWBTATPFLOTL-XTSGDOFHSA-N 520.626 5.610 5 40 KKBB O=c1c2ccccc2sc2cccc(NCCCN3CCN(CCCNc4cccc5sc6ccccc6c(=O)c45)CC3)c12 102921971 IQTSIYNQGUDMSN-UHFFFAOYSA-N 620.844 7.065 5 40 KKBB Cc1ccc(-n2c(C)c3c(c2C)[P@@](=Nc2cc([N+](=O)[O-])ccc2C)(N2CCOCC2)N(c2ccccc2)N=C3)cc1 102937887 VGXQHMYLPRLVSF-VQJSHJPSSA-N 568.618 6.794 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(-c2nc3ccccc3s2)c1O 105310731 ZSRIVNFUXRHBLO-UHFFFAOYSA-N 530.587 6.272 5 40 KKBB CC1(C)C[C@@](C)(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc2N1C(=O)c1ccccc1-c1ccccc1 105630311 LFJKDXPJPKXYHV-HKBQPEDESA-N 566.570 7.213 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224427820 JLYPJHOQQYKMLZ-GDLZYMKVSA-N 691.634 6.280 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224619927 TVOZQYNDGIAUAH-SSEXGKCCSA-N 636.771 5.016 5 40 KKBB O=C(O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224783626 LVWNRFIJVSJIIR-FQLXRVMXSA-N 593.690 6.807 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224851852 JKPXBJWEJQHGMP-HHHXNRCGSA-N 635.570 5.677 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 224969997 UELUOHAOCFMGFM-DNQXCXABSA-N 506.971 6.089 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225520601 MPGJSBSPKJKZAF-YTTGMZPUSA-N 707.647 6.109 5 40 KKBB O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 229644585 VOJWIUIYLOAAIG-CKPORNQBSA-N 610.453 6.883 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccncc1)[C@@]21C(=O)Nc2ccccc21 229900288 ZMPULFICGYXEER-UODPJZIASA-N 556.578 5.236 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408567242 QNFPHUBHZDBAOU-BQVXCWBNSA-N 528.392 5.103 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)c(Br)c1)[C@H]1CCCN12 408568218 SMPCYRLBHZXDKQ-AWTIUKJOSA-N 552.400 5.222 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1Cl 408569609 JUSJOMBRDVFFSU-DEOSSOPVSA-N 528.993 6.066 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccc(Cl)cc1 408570869 MCRUSPXMDNRXJJ-HSZRJFAPSA-N 515.422 6.572 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408637745 AZMDWXDAWFMSOO-IKTNGCAPSA-N 841.098 7.808 5 40 KKBB O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408750375 MAVOIRXCPXPDLN-UHFFFAOYSA-N 763.081 8.347 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408752049 FACWATWAJFLWTE-FUFNRSNVSA-N 682.549 5.526 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2=O)=N1 409034560 HMKPRKIGMUTFDL-QPJBPQEWSA-N 608.072 5.409 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409051454 DBYATOFCCJBIBU-QRVIBDJDSA-N 524.982 6.381 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1 409108310 ZVRJXWDGCVDGIP-NLMYKXADSA-N 697.795 5.604 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409162033 QLLPYDQJIRWFGS-ZWTBYVTRSA-N 761.876 6.772 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1 409165206 UTYJYBWQZFVTIK-MXAYSNPKSA-N 558.641 5.995 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 409165583 ZVMYOVMMZJJUNC-RGVLZGJSSA-N 513.915 5.192 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409182743 NLHNFGJUDLMIKK-FHQMNNMHSA-N 727.033 6.409 5 40 KKBB COc1cc(CNc2ccc(Br)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409193831 FQAGSGWEWISOGL-UHFFFAOYSA-N 522.193 6.320 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409194073 NEZKCFCWKBEXAG-DDIUQFJASA-N 779.728 7.232 5 40 KKBB O=C(CN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)Nc1ccccc1F 409203399 XTVGLCWGHDLUIF-SRZZPIQSSA-N 742.239 5.054 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409258018 SQSWWMAJJZNXRQ-BHGWPJFGSA-N 628.413 5.772 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409272578 NGFXOFVAGZZBOH-FMCGGJTJSA-N 571.380 5.995 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2cc(Br)ccc2O)c(C)c1 409412515 RLWJOEIJKQLHRB-UHFFFAOYSA-N 588.871 6.312 5 40 KKBB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 2216457 XLPDAVISCSMNOI-UHFFFAOYSA-N 516.937 6.507 5 40 KKBB O=C(NCc1ccccc1)c1ccc2c(c1)nc(SCc1cc(=O)n3ccccc3n1)n1c3ccccc3nc21 2959495 ZMVHPKVYEROACW-UHFFFAOYSA-N 542.624 5.266 5 40 KKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2cccc(OCc3ccccc3)c2)cc1/C=C\c1cccc(OCc2ccccc2)c1 5080566 ZBBKRYQXGLTDAZ-CLFAGFIQSA-N 584.628 9.002 5 40 KKBB COc1ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(CCc2ccccc2)C3=O)cc1Cl 12371118 XDCZZGCDTRKBKC-UHFFFAOYSA-N 501.926 5.992 5 40 KKBB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2Cl)CC1 21596036 IKNQABWKYABVKY-UHFFFAOYSA-N 528.053 5.186 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 59953627 QVWXWMMCNGAYGU-UHFFFAOYSA-N 558.827 5.706 5 40 KKBB Cc1cc([N+](=O)[O-])nn1Cn1nc(-c2cccc(Br)c2)cc1-c1cccc(Br)c1 97945250 LKVQPNPJDNBYAI-UHFFFAOYSA-N 517.181 5.661 5 40 KKBB O=C(COc1ccc2ccccc2c1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 97971243 KVXLJZCGSZZNQV-OSOVADFLSA-N 562.582 6.858 5 40 KKBB Cc1ccc(C(=O)c2cccc(NC(=O)c3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc(C(=O)Nc4cccc(C(=O)c5ccc(C)c(C)c5)c4)c3)c2)cc1C 98044628 LHGSQEHFOZXTNL-UHFFFAOYSA-N 744.804 9.047 5 40 KKBB COc1ccc(CSc2nnc3c4c5c(sc4n4c(SCc6ccc(OC)cc6)nnc4n23)C[C@@H](C(C)(C)C)CC5)cc1 102430307 YJMYVPVZNUVJQI-NRFANRHFSA-N 630.865 7.740 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Oc1ccc2oc3ccccc3c2c1 103005581 UJYDHBKRXBVZPD-UHFFFAOYSA-N 539.363 6.850 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103524234 GYBZXUJTJFNGAH-PBNWVGGGSA-N 610.453 6.883 5 40 KKBB Cc1nn(-c2ccccc2)c(O)c1C(c1ccc(Cl)c([N+](=O)[O-])c1)c1c(C)nn(-c2ccccc2)c1O 108423164 NGLHBKHTYXSBLV-UHFFFAOYSA-N 515.957 5.828 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 150395389 WDAVDZSCFUPELN-JDDPAHLESA-N 676.534 6.419 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 150395536 BKGONNGHQYOWRC-FWESEHMYSA-N 658.157 6.479 5 40 KKBB COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccccc3)n2-c2ccc([N+](=O)[O-])cc2)c1OC 150407845 QOIZPAIKWYNRCI-SANMLTNESA-N 683.772 5.654 5 40 KKBB O=C(Nc1cccc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 150484993 GLAWVWPCQHSZIA-ZKEKZPBLSA-N 636.642 5.157 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1cccc2ccccc12 215025263 WQXPJLGRZXZHEL-OGLMXYFKSA-N 540.597 6.962 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223203548 ROGCODWDFWEODI-YTTGMZPUSA-N 693.222 5.845 5 40 KKBB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1C 224784256 LFCLGRZZYKMLPQ-JSOSNVBQSA-N 577.735 7.726 5 40 KKBB COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 224793621 LNKMRMBBAWCETI-KYJUHHDHSA-N 608.701 7.365 5 40 KKBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 225271751 HYMJHCXGENALNE-PMERELPUSA-N 559.732 6.225 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)cc1 229638538 NNMUSNAJXQOONC-URURZURFSA-N 599.643 6.364 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc3c(c1)OCO3)[C@]21C(=O)Nc2ccccc21 248342028 XHWJKRPGZBPKRW-WYODCFETSA-N 599.599 5.570 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 408570895 MFZUEHGSBAWITQ-RUZDIDTESA-N 575.474 6.589 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc(F)c1 408609894 PIEDOFBWZFUSJY-UHFFFAOYSA-N 508.287 5.538 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408657029 TWTWZJUZFYRXIS-YASBFDIKSA-N 718.549 7.826 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733394 ICXJBLLPAZGISG-AWCNIVANSA-N 598.464 5.582 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408779139 AHJUCXMJXFZQMC-QZVQSRICSA-N 698.222 6.798 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1 408785197 ZPUADJVEULHULN-SCRHHBKZSA-N 570.465 6.107 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408821887 ADXWMMDRDJGMBG-PRLWALMFSA-N 757.457 6.209 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1Cl 408826580 JXPOWXDJWBLUEH-NFYDWNOTSA-N 841.849 6.148 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408836860 WHSIDBXPGYUYGM-UQDCTOEPSA-N 648.535 5.356 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OCC 408934835 DICXDDGELMHKIS-JNNIQXQOSA-N 694.162 5.355 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCSCc1c(Cl)cccc1Cl 409026588 SVWNJAKMVHNDJE-UHFFFAOYSA-N 554.477 5.147 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409143024 YNTAQWZKFMKMCT-LPYMAVHISA-N 608.454 6.404 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409157991 WSMHJWMKPZEXIZ-MFKUBSTISA-N 547.589 5.556 5 40 KKBB Cc1ccc(-c2csc(NC(=O)CCC(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)n2)cc1 409181313 AULQYTMQGHUQJG-HHHXNRCGSA-N 529.574 5.913 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O 409183812 SXLGPMSUGGCPSW-SANMLTNESA-N 540.915 5.830 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409344384 JBHBVBHOPPKYES-RGVLZGJSSA-N 585.392 5.228 5 40 KKBB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 409370273 NZPLFELGPICWPU-OAQYLSRUSA-N 560.426 5.713 5 40 KKBB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 409382537 SOOWTOAAQHRNGK-OAQYLSRUSA-N 530.400 5.704 5 40 KKBB Cc1ccc2[nH]c3c(cc(NCCCN4CCc5ccccc5C4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 9424484 FLCKLULJDZCNRU-UHFFFAOYSA-N 515.613 6.110 5 40 KKBB O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1c2ccccc2Sc2ccccc21 12564517 PUQBXXAZALMQCN-UHFFFAOYSA-N 503.561 5.839 5 40 KKBB COc1ccc(OC)c([C@H]2C3=C(N=c4s/c(=C/c5c6ccccc6cc6ccccc56)c(=O)n42)c2ccccc2CC3)c1 100957032 CCSDKWCQISKQRV-BPOMCQNBSA-N 580.709 6.642 5 40 KKBB COc1cc2nc(SCc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 101307932 NBVIDZLIHZLDGV-UHFFFAOYSA-N 518.511 5.070 5 40 KKBB C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2[N+](=O)[O-])C1 103093346 ZXKXPAKCJHLUHJ-CQSZACIVSA-N 549.436 6.057 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 103520547 VOJWIUIYLOAAIG-DZDVJMQSSA-N 610.453 6.883 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(C(C)C)cc1 103789875 HICUMSVNAGKJPC-OIUASMPBSA-N 627.719 5.418 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 104911565 PJWRAEKOGQWWKF-UHFFFAOYSA-N 561.294 6.176 5 40 KKBB O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 105222952 YYPCROSYCXKLHM-UHFFFAOYSA-N 518.765 7.830 5 40 KKBB CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 105304571 RCSKWUVARBUUIO-UHFFFAOYSA-N 542.577 5.423 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 105312518 SGLIATLGQZWAIY-QGZVFWFLSA-N 540.601 7.303 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 106721585 GHSAAJVCDAUPIC-JJFYIABZSA-N 594.270 7.480 5 40 KKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1Cc1ccc(Br)cc1 106723468 QDEGDOVWOWUMNT-GRSHGNNSSA-N 519.760 6.507 5 40 KKBB O=c1c2ccccc2c(=O)c2c1ccc1c3ccc4c(=O)c5c(ccc6c7ccc8c(=O)c9ccccc9c(=O)c8c7[nH]c65)c(=O)c4c3[nH]c12 150350078 CVWSULASWLZVCH-UHFFFAOYSA-N 646.614 6.349 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222436458 JWQHFIZDLJHZTE-AREMUKBSSA-N 645.178 5.401 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223664167 WTEBVZRPDAQPBX-ZOYWYXQUSA-N 646.741 5.484 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223988806 XJULNXOEOXEZHM-UVMFRMCBSA-N 737.275 6.324 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224343407 HWUIXNOBFJYZFI-GDLZYMKVSA-N 657.189 5.627 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 408554204 BVMVRXYFAZBMHC-UHFFFAOYSA-N 581.794 5.881 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1C 408565126 BGWVBYRVPUWKDS-RUZDIDTESA-N 598.479 6.552 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)c1 408566285 FFTDARAXOYVWRE-DEOSSOPVSA-N 573.900 6.989 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408677888 CDVXDRKOFUEESV-TUSFPTNYSA-N 669.088 5.507 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)S2)cc1 408779366 VORQJTUWAIVEPG-QDNAUZDWSA-N 619.335 6.861 5 40 KKBB O=c1/c(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)sc2nc3ccccc3n12 408902408 IPHFXANXUJHNLS-JAIQZWGSSA-N 634.249 5.311 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408940159 OEOITRBOZOXDBC-VPHSIRQSSA-N 644.662 5.194 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408944394 VKYKPHOTNJJZRD-YVBHXKDBSA-N 727.033 6.489 5 40 KKBB Cc1cc(Br)c(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(N(C)C)cc2)C3=O)cc1C 408997046 QHFJDHRMGQKSDE-UHFFFAOYSA-N 559.420 6.738 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409029437 AXZVILCSMPWQTJ-AMQCUNCASA-N 687.771 5.480 5 40 KKBB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409031919 BLRXGXZJILXIRO-STZFKDTASA-N 524.396 5.541 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 409158575 OYPCMECWGYNXAW-RGVLZGJSSA-N 529.983 5.905 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 409171881 CKCITPCIANOTGS-LJAQVGFWSA-N 522.944 7.244 5 40 KKBB COc1ccccc1N1C(=O)c2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2C1=O 409177077 CJMDNDMNRJREGU-UHFFFAOYSA-N 524.485 5.553 5 40 KKBB Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C(=O)OCc4ccc([N+](=O)[O-])cc4)cc2)C3=O)cc1C 409179540 RXHZTZYSGCBMHJ-UHFFFAOYSA-N 522.513 6.162 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)cc2)cc1[N+](=O)[O-] 409223702 HVMUXGXWERGJPB-YVNNLAQVSA-N 606.009 5.138 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1C 409273171 ISRYFVJHPMHCSC-ZVHZXABRSA-N 517.563 5.466 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccccc1Br 409332993 UFKAZPSQWZITRW-YBFXNURJSA-N 528.340 5.292 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 835139 DIMZWIOOHLMDCO-UHFFFAOYSA-N 515.591 5.019 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1-c1ccccc1 1394788 XELJWSHRKPAXPX-UHFFFAOYSA-N 502.745 7.052 5 40 KKBB O=[N+]([O-])c1ccccc1Sc1c(-c2ccc(Br)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 3184014 XSJWJZOSHDEOQR-UHFFFAOYSA-N 544.474 8.233 5 40 KKBB CCCCN(CCCC)S(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N(CCC)CCC)cc1[N+](=O)[O-])C2=O 6472345 CWYJLQNQBCCEHU-UHFFFAOYSA-N 624.738 5.116 5 40 KKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8899614 UOTPEWIMUDFCKT-UHFFFAOYSA-N 500.555 6.388 5 40 KKBB CCCCc1nc2sc3c(ncn4c(SCc5c(Cl)cccc5Cl)nnc34)c2c2c1CCC2 9543240 VXYLTGBBGXUMLE-UHFFFAOYSA-N 514.507 7.318 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 16401667 YSENSHJCQDXMGQ-RXJAJXMTSA-N 510.502 5.056 5 40 KKBB O=C(CSc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc2ccccc2c1Cl 16768140 GVGSPIAHJQKLMO-UHFFFAOYSA-N 505.879 5.393 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)nc2c1 20353269 ZZTTXBMKPCJPQX-OAHLLOKOSA-N 504.568 6.052 5 40 KKBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)cc1OC 97952353 FMOSJRGYEUUFAO-UHFFFAOYSA-N 525.996 5.256 5 40 KKBB COC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccc4ccccc4c3)cc12 98048386 RLHSUMITUJEIIS-UHFFFAOYSA-N 544.541 5.625 5 40 KKBB C[C@@H]1CC2=C(N=C3SC=C(c4cccc([N+](=O)[O-])c4)N3[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 100817571 GWLCTGUEUKEYNQ-TVYMILRESA-N 527.596 8.099 5 40 KKBB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2c3ccccc3cc3ccccc23)C(=O)N1c1ccc(Cl)cc1 102738714 XOGFVUWLFDJLNB-YTCPBCGMSA-N 504.973 6.698 5 40 KKBB COc1ccccc1/C=C1/CCC[C@@H]2C1=NN(C(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)[C@@H]2c1ccccc1OC 102928421 MOAXSUQGWYIMQZ-DKUNPFBISA-N 582.657 5.885 5 40 KKBB CNC(=O)c1sc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C 105604739 OQNSSUDHRTWNRK-OWJNTYTISA-N 532.582 5.429 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c2=O)=N1 150396336 MDUIKLHJSWEASU-PKYOQBLNSA-N 664.578 6.633 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 163296743 AEOJUFAPDAKBSO-IVQFASICSA-N 711.550 6.699 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 198318305 AZUUZXFFZJMIQK-UHFFFAOYSA-N 695.559 5.554 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223549155 PVCZAZHOIAGPRO-SANMLTNESA-N 635.570 5.819 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 225082170 YDXPBYCFAPUJBN-JSOSNVBQSA-N 590.665 5.975 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 225226079 PJPSTMGHKICRPK-FTJBHMTQSA-N 529.578 5.012 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225619754 HJXCHVDWVUFGCS-KDYSTLNUSA-N 601.125 5.166 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260958623 WUNZRCUTRPRJNJ-OAQYLSRUSA-N 649.141 5.089 5 40 KKBB COc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C)cc1 408552912 LQTDIBZVTIWMJD-UHFFFAOYSA-N 561.328 5.135 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408571593 PETJMRCWUIOFBX-RUZDIDTESA-N 573.502 7.279 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1cccc2ccccc12 408572450 RFFNBOKXUKMZFH-LJAQVGFWSA-N 540.645 6.735 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408643184 PCIRFCHCANPJOY-WVZRZZCNSA-N 720.991 6.588 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1C 408649670 YXCVSGODWFTIKK-BRUHTKEMSA-N 680.155 5.898 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408769478 MSLUXRFFHZWNON-UWRMONIRSA-N 725.530 5.187 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408782272 GOOGZWMXBNDQJK-VCLSCOGJSA-N 864.556 7.913 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1 408838182 SHBTZAGGJLMQBY-LYRGBEMXSA-N 674.997 5.603 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(Cl)c(Cl)c5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408948427 RNQCIYHFONQHRI-USPXUGGPSA-N 763.450 6.372 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 409036423 LEOUKVCOWYVPDD-FQKMCRJQSA-N 608.072 5.407 5 40 KKBB Cc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 409128491 FRZQJXHCRJMZTC-UHFFFAOYSA-N 506.194 6.619 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409180186 PVIAVLQDGIIWDC-UHFFFAOYSA-N 563.349 6.852 5 40 KKBB CCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O 409273069 PMNOJKNLVWPFJB-LZYBPNLTSA-N 517.279 6.225 5 40 KKBB Cc1cc(C)cc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 1899053 UXJMFXFSDAMQNG-PMERELPUSA-N 553.626 7.501 5 40 KKBB Cc1c(OC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)ccc2c1oc(=O)c1ccccc12 2095205 NZFZTQSDHIJFNM-NDEPHWFRSA-N 546.579 6.179 5 40 KKBB biogenic Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 2302803 UZMDVVAGDAXBRX-LJAQVGFWSA-N 539.599 7.193 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nccc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)n2)cc1 3099981 VQAACCNCHWXLFK-UHFFFAOYSA-N 560.526 6.132 5 40 KKBB COc1ccc(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)c(Cl)c2)cc1[N+](=O)[O-] 6297639 LNMDJCIRJPICEA-UHFFFAOYSA-N 556.875 5.531 5 40 KKBB Cc1ccc(C2=NN(c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 8837382 QBGVGABMDLDXET-NDEPHWFRSA-N 519.992 7.523 5 40 KKBB O=C(Nc1cc(Oc2ccc(Cl)cc2C2CCCCC2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 33355903 UOBJMBZZBSQVRS-UHFFFAOYSA-N 676.504 9.784 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 106681930 MSVVOXHYJZRJRJ-XKZIYDEJSA-N 525.380 6.173 5 40 KKBB Cc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)Nc3ccc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 150483605 SDGCVQKBTDJEHL-YQYKVWLJSA-N 632.698 7.304 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)cc1Cl 214438609 GNDSIKCNBDOMLD-DJKKODMXSA-N 509.754 7.052 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223805172 XZDBLHBAMWPDPM-JIPXPUAJSA-N 598.563 6.145 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223953093 UYOAUCRLHICODP-NIYFSFCBSA-N 588.488 5.844 5 40 KKBB COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224792401 JOWKYAVLOOVXFN-IHLOFXLRSA-N 607.717 6.895 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225456744 GPPYSHQDVKSTOA-MUUNZHRXSA-N 624.532 5.834 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260943714 DGMOFMCLWAAXSI-OAQYLSRUSA-N 661.152 5.376 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 408568101 HRBQPVXPSHLKTA-VWLOTQADSA-N 583.508 6.653 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 408639344 FPHGDYFNMMGBGY-GAZXMLTASA-N 638.460 5.782 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408672133 ZOXMQXUMTKLFQT-GJLUAVECSA-N 642.495 5.746 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408682842 KABXUMCZEJPXIE-QYVZARNFSA-N 598.442 6.351 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 408720731 XSIMOFASIGRPNO-OIOCTNRISA-N 520.585 6.009 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1cccc(C(F)(F)F)c1 408881630 JSPXYTFHTNNEDR-ODLFYWEKSA-N 517.441 5.549 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408996229 LQZQMXFHAQOWRE-IYCJABBDSA-N 690.734 6.668 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409034491 HGPVWZGIZVNLMF-PNQAETMRSA-N 722.216 6.133 5 40 KKBB O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccccc1F 409069088 UUJCWCARJBQTMB-SRZZPIQSSA-N 560.763 5.822 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 409089113 NBVRYUWVQGFGGW-YDZHTSKRSA-N 691.354 6.773 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409100660 RIQVQSWRGNJFQR-JLHDDXNDSA-N 647.153 5.253 5 40 KKBB CCOc1cc(CNc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409117359 NFENKLHKJSYRGT-UHFFFAOYSA-N 505.796 6.909 5 40 KKBB COc1ccccc1NC(=O)COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409138988 KUMUBIDYQKAWQU-PSXMRANNSA-N 628.685 6.982 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(Br)cc1 409155474 QBGJMWORSXMKMJ-SRZZPIQSSA-N 622.375 6.843 5 40 KKBB O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409180595 XRMGKRQVBSHKQZ-UHFFFAOYSA-N 511.515 5.257 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br 409190914 BIFJYPCUKGOEGS-YNXJNZEASA-N 846.569 7.119 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409196310 VTYWRYCPGKTJTL-HYARGMPZSA-N 521.507 5.583 5 40 KKBB O=[N+]([O-])c1ccc2[nH]c(=S)n(/C=C(/c3ccc(Cl)cc3Cl)S(=O)(=O)Cc3ccc(Cl)cc3Cl)c2c1 1637321 QTXFJJFLADPMOP-FBHDLOMBSA-N 589.309 7.791 5 40 KKBB O=C(Nc1cc(Oc2ccc(I)cc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 8400520 KEJBPYBFYMUCMV-UHFFFAOYSA-N 652.352 6.429 5 40 KKBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1cc(Br)ccc1Cl 11758408 FYVLPTWGNNPYFU-UHFFFAOYSA-N 514.719 6.262 5 40 KKBB Cn1ccnc1Sc1ccc(/C=C(/C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 97981623 OLXJMBHSIHAFIP-XSFVSMFZSA-N 545.024 5.866 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1)c1ccc([N+](=O)[O-])cc1 100361039 XYBJHIZMOUUIOY-UHFFFAOYSA-N 564.133 6.022 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)N(c2cccc(C(F)(F)F)c2)S(=O)(=O)/C=C/c2ccccc2)ccc1Cl 102973632 NCPMGIIJSCLQKF-VAWYXSNFSA-N 546.932 5.463 5 40 KKBB CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 105306048 YUSZESWKLYKRIY-UHFFFAOYSA-N 578.094 7.297 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(-c2cc(Cl)ccc2Cl)o1 107602372 IYDXXUYUGZZAPM-UHFFFAOYSA-N 573.380 6.017 5 40 KKBB Cc1c(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 107765828 FDDTZINJXQZCJR-UHFFFAOYSA-N 508.383 5.040 5 40 KKBB O=C(CSc1nnc(NC(=O)CSc2nc3ccccc3c3nc(=O)c(-c4ccccc4)nn23)s1)Nc1cccc(Cl)c1 150390185 RXCGTRMCNXFACF-UHFFFAOYSA-N 647.167 5.271 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 150394894 TXZQOVWBQAYGKA-JOHYPREOSA-N 633.726 6.536 5 40 KKBB COc1cccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c1OC 150482650 WFTNFDPJYZLPNO-HDFSHUSISA-N 652.685 5.446 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(OC)c(OCc6ccccc6)cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1OC 163279298 NWSILEQGKQBGAV-ODSXNOBESA-N 661.736 5.832 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223608808 JUZRAMXYFNSNMU-SANMLTNESA-N 675.204 5.491 5 40 KKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 224509913 SNWQPYFLDFOIPX-GOTSBHOMSA-N 521.396 6.189 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 224718306 KBQQACKXWMAYAU-LOYHVIPDSA-N 548.624 7.528 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccnc3)cc2)cc1 224762288 SJPGECIBOJDVIU-VSGBNLITSA-N 550.669 6.504 5 40 KKBB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccnc1 224765658 DBTUWUGTCXQBGM-KYJUHHDHSA-N 578.723 7.121 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Br)cc4F)o3)cc2)cc1 224788393 XMZYJTOLFHJGQV-VMPREFPWSA-N 647.551 8.480 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225326104 CCUVVBSFCYENMJ-NHCUHLMSSA-N 665.596 5.746 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)o1 225656594 FWWGZTHMXXIBGV-NSOVKSMOSA-N 557.632 5.568 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229866317 KHCVIOANXKIKGD-YQQRZDPSSA-N 571.589 5.460 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260948360 RRWWFJPTFDBNMY-UUWRZZSWSA-N 751.700 6.282 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261035277 KADUPTNJJXJHPP-GOXGLGGOSA-N 707.647 6.107 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 408570681 LVSZSQXAXNVHDX-VWLOTQADSA-N 535.582 5.572 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 408577391 ZEDUKYGVTNXPMB-WQHMJLMGSA-N 558.432 5.750 5 40 KKBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408639634 GDABGDJBEYBEPQ-GFCCVEGCSA-N 546.750 5.480 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 408927834 RZQVSTILGDCDOW-HZHHUVPKSA-N 636.730 5.498 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccccc5[N+](=O)[O-])C(=O)[C@@H]34)c(=O)n2[C@H]1c1cccc2ccccc12 409040414 IACXQXUIHUNIOW-NQZNSAFQSA-N 772.839 6.062 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409082635 MRORZNAULYTFNS-PIXWUVMMSA-N 664.534 5.057 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409100238 URJQYPGVUKELGQ-NPNXEGEYSA-N 679.799 5.340 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409114051 IHZFWXKWIJGYKR-FHMSYZJOSA-N 619.168 5.816 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc(F)cc1F 409274609 DUFIUYZWJMGKIG-SSDVNMTOSA-N 525.489 5.127 5 40 KKBB CCCc1ccc(C(=O)N2c3ccccc3[C@@H](N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)C[C@H]2C)cc1 1902061 MFBUCWOJBYTUJZ-IPBJYNAHSA-N 533.628 7.374 5 40 KKBB O=C(c1ccc(Br)cc1)[C@@H]1c2c(c3ccccc3c3ccccc23)[C@H]1C(=O)c1ccc(Br)cc1 2187115 DABVNRMEJAGBMV-VSGBNLITSA-N 570.280 8.465 5 40 KKBB COc1cc(C(=O)N2N=C(c3c(-c4ccccc4)c4cc(Br)ccc4[nH]c3=O)C[C@H]2c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 8386553 FMQPGNJRDPFUFC-MHZLTWQESA-N 683.515 6.883 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 12524407 DMPUUBXDPAHJAF-SENKWDKBSA-N 502.527 5.054 5 40 KKBB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 13898244 UFBMPHOSIYFAJT-KBNXYMMQSA-N 516.941 6.593 5 40 KKBB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 15277138 WWNCXQOCWOCGNO-UHFFFAOYSA-N 505.424 5.634 5 40 KKBB Cc1ccc(-c2nn(-c3cc(N4CCN(C(=O)c5cccc(Br)c5)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1 29491228 FEYZTBFYNWRYMB-UHFFFAOYSA-N 624.495 5.994 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6c(F)c(F)cc(F)c6F)cc5)nc34)c12 98046169 QPHBKNPCHAZQON-UHFFFAOYSA-N 545.468 6.936 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1F 101156957 NSKVQDNPYBRCIR-HKBOAZHASA-N 502.285 5.092 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2C)CC[C@H](C)C4)c([N+](=O)[O-])c1 103057247 KSDHMKDCAKAXRG-INIZCTEOSA-N 534.663 5.828 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1Cl 105304613 BEXFKPKGXDXRMA-UHFFFAOYSA-N 532.965 6.752 5 40 KKBB O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105316334 ZHMRHCDPZVTGJE-UHFFFAOYSA-N 590.061 5.597 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106730858 BKTFQFXAORVPKM-MTJSOVHGSA-N 556.394 6.180 5 40 KKBB O=C(COC(=O)c1cc(N(CC(=O)Nc2ncc(Cl)cc2Cl)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1O)Nc1ncc(Cl)cc1Cl 150472493 RXFPLKYUWZYGBM-UHFFFAOYSA-N 778.798 5.987 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1OC 163276704 XNCUQPMSTBCVLW-XZYZCHRKSA-N 662.680 5.945 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224547917 NBVXBHWRTZWZNH-RUZDIDTESA-N 588.488 5.844 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccccn3)cc2)cc1 224762086 DUNPMUXHQHLDCS-VSGBNLITSA-N 550.669 6.504 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225090215 GOFHAFLBMUVVIC-IOWSJCHKSA-N 591.649 6.444 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccccc1)[C@H]1CCCN12 408565163 IINLWSMIEMKOHG-AWTIUKJOSA-N 534.410 5.083 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408575403 WDENZCOQLBMJLV-VWLOTQADSA-N 559.475 6.970 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)c1 408834385 YPUZNEDXEOUUQI-UNDLXJOSSA-N 606.660 5.359 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408908440 DYJODBKIJMKPMP-GWXNNEATSA-N 691.762 5.830 5 40 KKBB Cc1cc(N2C(=O)[C@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])cc1C 408918721 OESPQBOCVBWWBE-FGEXJBCWSA-N 503.352 5.115 5 40 KKBB CCOC(=O)c1sc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C(=O)Nc2ccc(C)c(C)c2)c1C 409111970 BBKYAWVFDNVOLR-UHFFFAOYSA-N 531.612 5.120 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1C 409158744 LLHDJNQBSJLOBU-FSJBWODESA-N 571.533 6.698 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc(Br)cc1 409171294 ZPMMKRAIYVLVCH-YBFXNURJSA-N 528.340 5.292 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 409189550 QIITYUMCPOUQDF-FJNIOPPGSA-N 765.701 6.840 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409205732 JRWDRCROMHKGSD-VRCTWVPOSA-N 640.452 5.555 5 40 KKBB CCCCCCOC(=O)[C@@]1(O)C[C]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 1560408784 JKNGCUHFACUCGJ-ZWXJPIIXSA-N 536.608 5.445 5 40 KKBB Cc1cccc(C)c1N(C(=O)c1ccc(Cl)cc1Cl)C(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)N1CCOCC1 1058262 BIEHJZAEMQDBEI-RUZDIDTESA-N 542.419 5.765 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc([C@@H](C)CC)ccc4o3)ccc2Cl)cc1[N+](=O)[O-] 1847907 HIZHQHZFMUEXBW-HNNXBMFYSA-N 553.040 7.095 5 40 KKBB O=C(COC(=O)c1ccc2c(c1)-c1ccccc1C2=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 1888271 DHBABRMFXWBTQC-UHFFFAOYSA-N 513.889 6.292 5 40 KKBB COc1ccc(-n2c(CNc3ccccc3Cl)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 6157249 JJFQMULJXOFFIC-UHFFFAOYSA-N 524.990 5.180 5 40 KKBB COc1ccc2c(=O)c3c(=O)n(CCc4ccc(OC)c(OC)c4)c(-c4ccc(Cl)cc4)nc3oc2c1 8836298 IGKRMKQMNGMINH-UHFFFAOYSA-N 518.953 5.092 5 40 KKBB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)c1 14275709 MNSIGJPXIIBRQS-UHFFFAOYSA-N 512.547 6.407 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 14279437 YFHQUTWCBCYUNA-UHFFFAOYSA-N 505.383 5.178 5 40 KKBB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3O)oc2c1 59331541 CMHGSAXRXFWNST-UHFFFAOYSA-N 517.567 5.144 5 40 KKBB O=C(CSc1nnc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1)c1ccccc1 100816741 WOJPGZPSVSOWKI-UHFFFAOYSA-N 575.956 5.753 5 40 KKBB O=C(COc1ccc2c(=O)c(Oc3ccccc3F)coc2c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 102960912 MVRXFBQGTCNFGL-UHFFFAOYSA-N 518.375 5.669 5 40 KKBB CCN(C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2ccccc12 103091156 JXGRLSBIQANOEX-UHFFFAOYSA-N 554.024 5.658 5 40 KKBB CCOc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2Cl)CCC3)c([N+](=O)[O-])c1 103104450 QUCODJPUDWSEIB-SILNSSARSA-N 572.017 6.868 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)OC(c3ccccc3)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 103933845 OUSQTBGMORHWRY-ITGKQZKFSA-N 585.616 5.626 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c2=O)=N1 104676801 KRNNGZFUIDJGTM-RWTNITNYSA-N 614.518 5.078 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)c1 111468814 LBKLCNSBHMDCOU-JLKMOJGBSA-N 606.660 5.359 5 40 KKBB O=C1[C@@H](C(c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2c2ccccc2)C(c2ccccc2)=NN1c1nc(-c2ccc(Br)cc2)cs1 150340251 STLHCRWWMCXUDD-SCGMLGLWSA-N 929.676 10.585 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 163640072 IUOPKDIWEFQVDQ-CPOYULECSA-N 726.811 6.848 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)cc1 164539467 WOVXVCMADOWPHH-DFXMODJXSA-N 678.679 5.553 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 198318114 SRMNZOWVWVNLAC-UHFFFAOYSA-N 694.666 5.266 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223912859 PFUKQJBHZUIHAV-BCHFMIIMSA-N 542.463 5.999 5 40 KKBB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 225674908 BBIHSPNOPFMDCM-SXOMAYOGSA-N 543.605 5.260 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408563949 BSKBDHALUBVRIJ-YDOVEJIGSA-N 631.321 5.711 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1cccc(F)c1 408567107 GMBRMPAEEDLMIZ-DEOSSOPVSA-N 543.020 6.374 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408567822 RNTMZVKLRXEXAA-KLPDMWAPSA-N 596.453 5.620 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1 408571023 MVKOQZUXGMIJQI-SANMLTNESA-N 587.073 6.855 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Br)cc1 408643389 PIEQTLIZJQMLIY-ZBWOKKAISA-N 730.997 6.044 5 40 KKBB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)cc2)c1 408650183 ZSKHEPCWRCEMMB-UHFFFAOYSA-N 717.301 6.973 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 408729284 YWAZEGNVCQDQQO-AGSVCEGISA-N 681.542 7.546 5 40 KKBB COc1ccc([C@@H]2C=C3c4c(ccc5ccccc45)OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@@H]32)cc1 408730801 HVWKTSBXFLPKIR-SUAIOLNFSA-N 576.561 5.287 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408758569 MUMSQGGGJKTVKM-VEOKEAFVSA-N 835.527 6.965 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408771147 FOXFWWTZHUXTEG-PRLWALMFSA-N 757.628 5.621 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408833496 RPWIHXJVUZGVOD-LCQSEVKBSA-N 634.110 5.256 5 40 KKBB O=C1c2ccccc2C(=O)N1CN(C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccccc1Cl 408846183 RBTXZUKWJAFVOL-UHFFFAOYSA-N 526.357 6.017 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408996646 LVLBHOUNLSZLQP-VEOKEAFVSA-N 708.705 5.562 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c2=O)=N1 409037052 MTLVNBAZFQIAQI-ITNPZBTBSA-N 692.588 5.837 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409100763 WQLCAWRXYPXAKZ-NPHLBUJTSA-N 686.171 5.452 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409103717 BLNGJQOZCBPCKS-DTDQMKFYSA-N 636.730 5.742 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 409171313 ZTGUENDHGHRPAF-SRZZPIQSSA-N 554.924 5.624 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409190600 ZZAWDOGWTQAIPE-FUUQXKQNSA-N 518.909 5.610 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409232132 NFXYTNLIKBVBQL-RGVLZGJSSA-N 558.772 5.696 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1Cl 409261273 CEJPSAAOPVYMDN-ZMOGYAJESA-N 631.888 6.908 5 40 KKBB COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 4198846 JFXBEKISTKFVAB-ZWXJPIIXSA-N 652.832 7.452 5 40 KKBB biogenic O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 12524400 HXVRMIWYMBDCEM-KHKPTBRFSA-N 522.605 5.868 5 40 KKBB C[C@@H]1CCC[C@H](NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)[C@@H]1C 12546355 FZXVXSHYLHIXTC-CLCXKQKWSA-N 506.550 5.986 5 40 KKBB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1 13584436 XAKNKTHGLLUGDG-UHFFFAOYSA-N 516.000 5.681 5 40 KKBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 21124389 LXJRTKRWXNRWTK-XBXARRHUSA-N 505.402 5.248 5 40 KKBB C[C@@H]1N(C)c2cc3c(cc2C1(C)C)[P@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)OC(c1ccco1)=N3 97984728 JWPDOGMRBRYFKW-CDSRAENBSA-N 614.437 6.495 5 40 KKBB COc1ccc(OC)c(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2sc3c(c2C(=O)Nc2ccccc2)CCC3)c1 98005231 BBWHTDVFGHZINE-UHFFFAOYSA-N 592.073 6.915 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)c3cccc(Br)c3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100134344 WQANEFMAUXUJTE-HFESIUDZSA-N 567.528 6.337 5 40 KKBB O=C(NC(NC(=O)c1cccc2c1-c1ccccc1C2=O)c1cccc([N+](=O)[O-])c1)c1cccc2c1-c1ccccc1C2=O 102579981 VPSOECIUDJIIGW-UHFFFAOYSA-N 579.568 5.876 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 102628824 RPTFWEDLWJOHIX-UHFFFAOYSA-N 565.003 6.120 5 40 KKBB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 102984353 IMOMKDBDUCTPGI-MRXNPFEDSA-N 570.502 7.566 5 40 KKBB C[C@@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 102996970 ADZLNMCCBQLTGI-CQSZACIVSA-N 541.054 5.676 5 40 KKBB CCOc1cc(C(c2c(C)nn(-c3ccccc3)c2O)c2c(C)nn(-c3ccccc3)c2O)cc([N+](=O)[O-])c1O 108423371 OYCPMZPNSFIPKW-UHFFFAOYSA-N 541.564 5.279 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223653108 ACNJEEAABLZPAL-SANMLTNESA-N 675.204 5.491 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224536754 MUUSSHKSGBFDIR-AREMUKBSSA-N 574.530 6.301 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 225114869 UNYIZVFFTRFUOQ-DHUJRADRSA-N 749.286 6.468 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225371675 PDNJXKSGCJVNSQ-LJAQVGFWSA-N 563.695 6.056 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225538816 QIDFZJXAUSSUFN-PWUYWRBVSA-N 624.760 5.138 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261017081 HRYKXPJOMZFGLX-HPMVVLTCSA-N 725.239 6.454 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1F 408571820 PPBGMLFJGFNMRP-VWLOTQADSA-N 543.020 6.456 5 40 KKBB CCc1nnc(S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)O)o1 408632184 OMDGFHVYWZJSLF-YVLHZVERSA-N 506.334 5.100 5 40 KKBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)cc1Cl 408694321 IZRZOUUWPPKMNE-UHFFFAOYSA-N 512.751 5.819 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])c1 408727286 QZNJLKXVJFCVQI-HOSOATPESA-N 632.672 6.792 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408763416 ODEYMGXKHAWGBY-JBVGNYNVSA-N 756.631 6.203 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408828291 LLNZYDSQNFIZNJ-MFUBYVTQSA-N 632.016 5.779 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 408833255 SNDBTEGPEAMBDD-LKWZWFHSSA-N 667.593 5.810 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408919652 ZRYYCEJSDRWSEJ-WSDLNYQXSA-N 606.825 6.668 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CCOc1ccccc1 409054205 SNECXCAULNQGTK-HAHDFKILSA-N 555.406 6.052 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC 409096700 DWWXZRWWSPQXJL-CXABMRDKSA-N 561.707 5.419 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409142698 CVPODZYTDKVAGR-KMCFWPMWSA-N 694.839 5.732 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)o1 409177470 FOCSSEJJGNEFAR-WSDLNYQXSA-N 507.524 5.155 5 40 KKBB COc1cccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409274923 GUJJHXWOLWOAMP-JMIUGGIZSA-N 527.898 6.198 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409355233 JSNBENVQZVOVNL-FHQMNNMHSA-N 771.484 6.518 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 409388930 OCTQFROPIBTLTJ-UHFFFAOYSA-N 508.383 5.040 5 40 KKBB CSc1ncccc1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 12581743 ODFOXUOQYXRQMO-GOSISDBHSA-N 502.346 5.011 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1c(Cl)cccc1Cl 16196259 DJRNXFNZCYDNPV-UHFFFAOYSA-N 510.805 6.344 5 40 KKBB CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2s1 22833837 SAGZRSHZECMJNK-UHFFFAOYSA-N 509.569 5.330 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1 59247853 QIGWQGLNMBWAEV-GBIJUZDQSA-N 612.063 5.757 5 40 KKBB c1ccc2c(c1)c1c3ccccc3c3c4ccccc4c4c5ccccc5c5c6ccccc6c6c7ccccc7c2c2c1c3c4c5c62 100007497 XHJPOZDMDBETDO-UHFFFAOYSA-N 600.720 13.838 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccc(Br)cc4)cs3)CC2)cc1NCc1ccccc1 100288415 ZIOLEVWPWAFPML-UHFFFAOYSA-N 550.482 6.420 5 40 KKBB O=[N+]([O-])c1cccc(/C=C2\CCC[C@@H]3C2=NN(c2nc(-c4ccc(Br)cc4)cs2)[C@H]3c2cccc([N+](=O)[O-])c2)c1 100490235 OLXHDERNBBFXMA-MWHKFIMCSA-N 616.497 8.190 5 40 KKBB COc1ccc(C(=O)N2c3ccccc3[C@@H](N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)C[C@@H]2C)cc1 100693811 UKNXJQNIZVYFFY-GGECPBJPSA-N 547.611 6.830 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 103817001 IYSOSTGVDRBIJX-LCQSEVKBSA-N 551.649 5.857 5 40 KKBB COC(=O)c1ccc(Oc2ccc(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)cc2OC)c([N+](=O)[O-])c1 106702537 GEEYSAGFTBRISG-CFRMEGHHSA-N 534.546 5.727 5 40 KKBB O=C1S/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745686 DHMCXCXCLINBBN-JJFYIABZSA-N 515.374 6.717 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2cc(C)ccc2C)sc2c1CCCC2 150389935 JCHUXXHIAIUIIV-UHFFFAOYSA-N 648.767 5.570 5 40 KKBB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1Cl 150459750 HQROIZNZRQTAJB-QGZVFWFLSA-N 688.136 6.147 5 40 KKBB CCOc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 150509186 DWEMGLVFJVUKRY-DHUJRADRSA-N 648.741 7.469 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(Cl)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1OC 163266689 XJIFNQMSAHMTCO-SELCLYCASA-N 626.090 6.158 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 215917141 RTNBNZLZNINLFT-IBGZPJMESA-N 546.045 5.255 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223815825 ZZXORKOLHAXEGL-NFQMXDRXSA-N 588.557 6.690 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224074437 FQCNKTIFPILDPQ-JGCGQSQUSA-N 628.751 5.265 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 224936226 QLSRNEKYWTVJDR-MHZLTWQESA-N 566.054 5.335 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225040722 KDZURHGGDLPWAU-HKBQPEDESA-N 683.614 6.262 5 40 KKBB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1OC 225307624 OODJZZGMWXRODE-WUFINQPMSA-N 589.630 5.029 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225313001 VDRSIRWFFDLBNI-UMSFTDKQSA-N 689.234 6.533 5 40 KKBB CCN(c1ccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1)S(=O)(=O)c1ccc(OC)cc1 225858015 YIUBXRZPBRHFAO-UHFFFAOYSA-N 511.581 5.286 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261090223 TUUDPDNFZQTYEN-UBOZLPQGSA-N 658.777 5.354 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408565637 LPZGZXVPPSYCID-CIHKJSBTSA-N 607.288 5.865 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408566187 DZTNCQGJBICHPN-VWLOTQADSA-N 589.501 6.979 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408572634 RNQKDYUOAXNDSS-VWLOTQADSA-N 593.920 7.624 5 40 KKBB Cc1ccc(COc2ccc(Br)cc2[C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1 408575421 WEYBCLGGULBRDX-RUZDIDTESA-N 553.482 6.644 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 408638815 DMYVRTLVZRBFFY-UHFFFAOYSA-N 597.967 5.312 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408642768 FDZQEZVMFJDHOY-QYVRTBTHSA-N 592.007 5.381 5 40 KKBB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408650739 BKKGDFRGMKHSSW-WTTPBVPZSA-N 708.165 5.813 5 40 KKBB COc1cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408809882 SLHFWOGSHIAUFX-RJUDQAHNSA-N 558.680 7.236 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408831911 WCOQPANAEWTGGR-FABFSAKGSA-N 655.660 5.260 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408835045 VWSMUJBBIWFAAH-ZJTZAHLKSA-N 668.555 5.991 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408975411 JUARXRAULHDROT-LMSRTUJASA-N 638.496 5.128 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c2=O)=N1 408986206 ONTRMSHHJDAOSG-VCDQAHEJSA-N 677.360 6.424 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 408995424 CORFMBLGGCQDHV-CBYYHRJHSA-N 608.470 5.037 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c2=O)=N1 409042832 CYLYCICIIHFSNI-FQKMCRJQSA-N 642.517 6.062 5 40 KKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1cccc(Br)c1 409159570 RDEVQXRHHHBYFU-XKZIYDEJSA-N 525.380 6.173 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1Cl 409275798 WYMCVRZXEHWYJX-WYMPLXKRSA-N 584.006 5.519 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSCC(=O)Nc4ccccc4)cc3s2)c([N+](=O)[O-])c1 409332359 DMAOMWLOMXKICD-UHFFFAOYSA-N 597.700 5.254 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Br)cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])cc1Br 409389031 OLVUYWMJQGNKDU-HNQUOIGGSA-N 622.104 6.211 5 40 KKBB CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1cc(Br)ccc1O 409412521 RUFZZVHSNLDXBN-UHFFFAOYSA-N 547.218 5.379 5 40 KKBB C[C@H](CCc1ccccc1)NC(=O)c1nnn2c1sc1c(C(=O)N[C@H](C)CCc3ccccc3)nnn1c1ccccc12 1409701 ZCEPTJLIXJJSPG-FGZHOGPDSA-N 592.729 5.051 5 40 KKBB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc(OC(=O)c4ccccc4)cc3)C2=O)cc1 1885422 PXYSLKZLVKDHQE-YTCPBCGMSA-N 579.565 5.264 5 40 KKBB CCOC(=O)c1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)c(C)nc32)c1 2249343 XKQHTVFDCMIILB-UHFFFAOYSA-N 523.980 5.470 5 40 KKBB O=C(CC(=O)Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2)Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 3143114 AKAWUHOIJTWBGJ-UHFFFAOYSA-N 520.501 5.613 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 8894903 QHEUWCCZXYGNFI-UHFFFAOYSA-N 508.991 5.452 5 40 KKBB C[C@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC12CC3CC(CC(C3)C1)C2 12542757 SIKZQQWGVDRYDE-GLCHGYBISA-N 510.974 5.110 5 40 KKBB Cc1ccccc1-c1cc(N2CC[N+](C)([O-])CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 43132225 FKUOVQVMCOPBJS-UHFFFAOYSA-N 594.600 6.800 5 40 KKBB O=C(COc1ccc2ccccc2c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 102968132 XXUYTCZNLKJVAE-CJYJFGQLSA-N 562.582 6.858 5 40 KKBB CC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@]2(S1)c1ccccc1C(c1cccc3ccccc13)=NN2c1ccccc1 103757321 LPKRBOTXHKLAAH-YTTGMZPUSA-N 586.633 7.626 5 40 KKBB COc1ccc(-n2nc3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3n2)cc1Cl 104329362 YOJYDJLQJRWDEC-UHFFFAOYSA-N 514.350 6.111 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1c3ccccc3cc3ccccc13)N1C(=N2)C(N2CCN(c3ccc(F)cc3)CC2)=Nc2ccccc21 150421847 TZLZERQRGZKZIY-RRHRGVEJSA-N 667.792 9.132 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c2=O)=N1 163469171 YXKMSBUTDLBYEJ-ISZRBDKASA-N 689.812 5.686 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 163697287 ZETJUOQMTANAAY-SOOGQRQDSA-N 696.785 6.840 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 205699356 SDHHQCHTTOWKIS-CVKSISIWSA-N 561.616 5.864 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224915307 RPMCLFDGLPPLFZ-QFIPXVFZSA-N 691.634 6.280 5 40 KKBB Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 229910768 QHKWHOQKDBIHLI-YUAOJYLXSA-N 590.035 6.413 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 248125843 HJDDQLIAYWPZHU-GGVMLGSCSA-N 571.589 5.585 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260825555 ZLJXANPWJHJATI-HXUWFJFHSA-N 649.141 5.232 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260904329 IOWSSFZKMZYZOL-UUWRZZSWSA-N 654.789 5.879 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 408569171 JAUSVSFMADEGCW-DEOSSOPVSA-N 587.471 6.565 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 408570645 LSIHVNNDVGEYAM-DEOSSOPVSA-N 528.993 6.066 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)cc1 408571888 PUNWBWKUUSEYSJ-DEOSSOPVSA-N 511.003 5.927 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1C 408573087 SLJWFCWIWWIRJB-VWLOTQADSA-N 577.921 7.842 5 40 KKBB O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccc([N+](=O)[O-])cc1 408661311 QMOKLRISHNUBLJ-FZNVTIIDSA-N 593.463 5.792 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 408728164 IIOWTQLSFZRMEL-TUUBTQOTSA-N 588.639 5.658 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408828364 MOPJUTVFFFDLNO-MFCBUNOESA-N 575.618 5.229 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409103707 BLEDTWWFNABNJR-YDZHTSKRSA-N 609.433 5.175 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)c1 409178805 NLSWAMPTLSQTOR-UHFFFAOYSA-N 665.452 8.100 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccc(C)cc1)c1ccccc1 409179150 QBVKMPBFNKJKJN-MUUNZHRXSA-N 584.968 6.147 5 40 KKBB COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCc1ccccc1[N+](=O)[O-] 409179871 OVICLXXYSGXQIN-UHFFFAOYSA-N 535.723 5.721 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409183470 SPOBNZKVSYMEKM-MHZLTWQESA-N 615.938 5.747 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1 409192540 DSWYVXCWSUZUAK-XOBACGFXSA-N 699.623 6.011 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl 409256836 NSMQSPVPVHKTPQ-BHGWPJFGSA-N 713.333 7.403 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409269554 CPKMFPUZKDVNPH-CYGYJLBOSA-N 643.165 5.734 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 409336063 LOLWWEVPESJUQL-FCVOFCDTSA-N 769.583 5.585 5 40 KKBB O=C(CSc1nc2ccccc2s1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 409337901 ZAWADCHMGQIRHS-UHFFFAOYSA-N 567.699 6.276 5 40 KKBB O=C(Oc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 1807405 QQLXCGYSUKUNPD-UHFFFAOYSA-N 516.687 6.129 5 40 KKBB O=c1cc(CSc2nc3ccc(Br)cc3c3nc4ccccc4n23)nc2ccc(Cl)cn12 2973963 RBTFILLRDINMCO-UHFFFAOYSA-N 522.815 5.752 5 40 KKBB COc1cc2nc(SCc3ccc(Cl)cc3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 20216187 SOYCLNRRICEUEK-UHFFFAOYSA-N 507.959 5.816 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc(C(c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)o2)c1 68568879 ZKAXYUJLJUEGCH-UHFFFAOYSA-N 577.505 8.371 5 40 KKBB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 96022310 SEYVGQDRGSMAHL-UHFFFAOYSA-N 692.751 5.350 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)cc2[N+](=O)[O-])cc1 100367131 BWIHBWRGRXOARU-KSEXSDGBSA-N 549.586 5.458 5 40 KKBB Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3-c3ccccc3)cc2)cc1[N+](=O)[O-] 102088746 ZUTJKBCOXICYBN-UHFFFAOYSA-N 538.556 6.507 5 40 KKBB C[C@H](CCc1ccccc1)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 103053729 FUUYBSKGMMQUCD-QGZVFWFLSA-N 580.888 5.344 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(COc4ccccc4C)n3C)cc2s1 103807351 LJPQCJWDDUPEPE-UHFFFAOYSA-N 622.754 6.252 5 40 KKBB CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)S(=O)(=O)c1ccc(N(C[C@H](CC)CCCC)C[C@H](CC)CCCC)c([N+](=O)[O-])c1 104225763 RUCJKKLQMDGLQJ-WDKGQIBQSA-N 666.070 11.258 5 40 KKBB CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 105990071 NYRYWQSYAOLPJN-FUPPJEDESA-N 588.798 5.166 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 150481220 JXDOMQFHSCTUKQ-UHFFFAOYSA-N 740.603 7.008 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n31)c1ccccc1CC2 163206165 QJDNCHIAQCXDBJ-FVUNBJOLSA-N 759.476 7.340 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214200914 BTLGIEJPWLYLBI-FSJBWODESA-N 562.497 7.180 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1Cl 215117686 XJWSJNHZRFIVAC-ODCIPOBUSA-N 631.785 8.197 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222799478 RVQLGYRRQCIUKG-JGCGQSQUSA-N 707.647 5.965 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224174566 HRIINECKVPIOHP-MGBGTMOVSA-N 693.222 5.927 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224894846 ORWIRTPQSYTACE-MUUNZHRXSA-N 566.123 6.180 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1OC 225195825 HCBKHLGOUAMSMR-SXOMAYOGSA-N 542.621 5.315 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261058247 NHPJVZXDPVIXEG-SYBRLPANSA-N 642.778 5.653 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408566251 FETIFQABXQSVRC-HSZRJFAPSA-N 600.451 5.944 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc2ccccc12 408569104 IVKPDKURSPUHRL-GDLZYMKVSA-N 540.645 6.817 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 408571045 NAKODEFGYOMNTR-HSZRJFAPSA-N 549.867 7.225 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl 408575606 WRBXPWGCZCZREO-VWLOTQADSA-N 573.502 7.197 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408682864 KBYQNSDMLLYWLB-TUSFPTNYSA-N 702.987 6.361 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408686625 SFKUPSZDVNFPLS-WVZRZZCNSA-N 697.098 5.190 5 40 KKBB CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408780276 ALKZQWXODTYETM-LKWZWFHSSA-N 540.041 6.388 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1Cl 408837024 XXPJEKYYMKJYPA-NFYDWNOTSA-N 658.947 6.246 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n21 408944515 MSFRFWHMXJHPEP-SZYVSPPHSA-N 678.561 5.445 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 409000102 MNFBWOFBJLHLSF-RWTNITNYSA-N 628.888 5.382 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409034068 GMFMWIVGZBTBQN-RBYDNKHHSA-N 844.637 6.206 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409043707 ZESJABIVCACWOL-CVXNTFFOSA-N 791.504 7.151 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409174324 RZZCSLWGUANBAN-AREMUKBSSA-N 543.444 5.985 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409192987 HSXOALAWIAWIFL-KCQXITDRSA-N 758.065 6.612 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 409200768 JGHWDKVKFLJXTJ-KEBDBYFISA-N 535.792 7.375 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409276034 XOTCDHMPUZXXOI-WSDLNYQXSA-N 534.550 5.083 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 409343211 DAJQQBNUCYIMLE-MFKUBSTISA-N 531.590 5.972 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)o1 409387276 VLGWOGCJAJAHOE-KEBDBYFISA-N 746.273 5.999 5 40 KKBB Cc1ccccc1CCc1nc(N2CCC[C@@H]2c2ccc(Cl)cc2)ncc1C(=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 585266715 MLHRJPTYENKCNR-MUUNZHRXSA-N 606.104 5.592 5 40 KKBB Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1 2150164 DDWNKEWOBBYLQU-MUUNZHRXSA-N 552.608 5.231 5 40 KKBB biogenic COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)cc1 2245506 BXRXIEABCGTNDA-UHFFFAOYSA-N 509.997 5.556 5 40 KKBB CSc1nc(SCc2ccc([N+](=O)[O-])cc2)c2sc3nc(CC(C)C)c4c(c3c2n1)CC(C)(C)OC4 2452883 RLWSGAAFPOMOCA-UHFFFAOYSA-N 540.736 7.212 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccccc1Cl 106682480 HACQLRXMALTVJL-CFRMEGHHSA-N 503.967 6.488 5 40 KKBB COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(I)ccc4Br)nc3c2)cc1[N+](=O)[O-] 150486016 OOWKBCVFFTZKTB-UHFFFAOYSA-N 653.252 5.906 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 215027614 SRJJIBYKKMGXCH-FSJBWODESA-N 521.507 5.327 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1[N+](=O)[O-] 215029362 MKHSBCSNIFUWAR-UFFVCSGVSA-N 624.347 7.313 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223823672 MGYVPRWQVNFDRX-CCLHPLFOSA-N 665.596 5.231 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 225045800 JOGQPAHPIXUBDT-NDEPHWFRSA-N 677.607 5.375 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225058022 VGWUZXCJIZTZRO-RUZDIDTESA-N 574.461 5.454 5 40 KKBB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC 225309814 KRXIYALNMTYZKD-RRPNLBNLSA-N 559.604 5.020 5 40 KKBB COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C)cc1 408555898 ZOKCXBPTTVRENG-UHFFFAOYSA-N 518.307 5.348 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(F)cc1 408571161 NXWRWGDETRGDTK-JOCHJYFZSA-N 551.402 6.850 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1cccc(Cl)c1 408572377 QZVPUUMFRBIBMW-FQEVSTJZSA-N 515.791 6.580 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408832882 QTMFGEYMOCRHRZ-UPWSPCOFSA-N 757.457 6.209 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409042725 XNUOSAHIHDNASD-XSTKMXAKSA-N 895.510 6.291 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409050419 VNFZTCSEIKTUHJ-UJFVOQSLSA-N 835.513 6.305 5 40 KKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409053914 DOCKCXDDYGPYAO-UHFFFAOYSA-N 509.431 5.593 5 40 KKBB O=C1/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)NC(=S)N1C1CCCCC1 409093156 YMDCCWAXFOYYRS-MOSHPQCFSA-N 516.417 5.327 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409159146 QDWPXLKLOSCAAP-MFKUBSTISA-N 561.616 5.864 5 40 KKBB CCOc1ccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1OCC 409189476 GYJJWWDDCKDUOQ-CSMLLFHVSA-N 528.517 5.356 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409189751 IDORGGXUHPSZRM-PBKKUYBVSA-N 802.516 6.721 5 40 KKBB O=[N+]([O-])c1ccc(C(Cl)=Cc2ccc(C=C(Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 2049238505 QMZVNISRQXPNKX-UHFFFAOYSA-N 531.264 6.793 5 40 KKBB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(C)cc1 907440 FGIMBEHVDHMEDS-UHFFFAOYSA-N 509.975 5.544 5 40 KKBB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4125327 LUSPSCNZJHDXMX-FMIVXFBMSA-N 555.462 6.514 5 40 KKBB O=C(CCCCCCCC(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc2[nH]c3ccccc3c(=O)c2c1 5545223 LINAZFCDSOAAHB-UHFFFAOYSA-N 572.665 6.984 5 40 KKBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(C2(c3ccc(NC(=O)CSc4nc5cc([N+](=O)[O-])ccc5[nH]4)cc3)c3ccccc3-c3ccccc32)cc1 8432273 PWWIGZPMUKMUMH-UHFFFAOYSA-N 818.897 9.080 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@@H]1C(c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)N(c2ccc(C)cc2)N=C1C 16292778 IZAQEVNAVAZTDD-UIOOFZCWSA-N 509.566 5.373 5 40 KKBB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1Cl 33386533 MVGCTRPELILUJN-MFOYZWKCSA-N 511.339 5.080 5 40 KKBB CCCCc1nc2sc3c(ncn4c(SCC(=O)Nc5ccc(Cl)cc5Cl)nnc34)c2c2c1CCC2 53334438 RABBQVXYEVIKHY-UHFFFAOYSA-N 557.532 6.756 5 40 KKBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 59652098 QKKKCSFOBJOXRK-UHFFFAOYSA-N 559.975 5.940 5 40 KKBB COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 97979175 FYXARSJSIWANIN-QFEZKATASA-N 560.632 5.851 5 40 KKBB COc1c(Br)cc(Br)cc1/C=C/C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 100381973 YDBZMFUJPSXKBE-AATRIKPKSA-N 559.642 5.144 5 40 KKBB COc1ccc(/C=C2\CCCC3=C2N=C2SC=C(c4cccc([N+](=O)[O-])c4)N2[C@@H]3c2ccc(OC)cc2)cc1 100816588 XIYQZVIVCWYYNM-WPIIXXKQSA-N 537.641 7.592 5 40 KKBB Cc1ccc(C(C)C)c(Oc2cc(NC(=O)CSc3nc4c(c(C(F)(F)F)n3)CCc3ccccc3-4)cc([N+](=O)[O-])c2)c1 101230415 CQFLJMVKBNAOQD-UHFFFAOYSA-N 608.642 8.124 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 103629798 MKXCEEQZMMYVCC-JTIZYTEPSA-N 605.478 5.270 5 40 KKBB O=C(O)[C@H]1C[C@@H]2[C@H](C[C@@H]1c1c3ccc(=O)cc-3oc3cc(O)ccc13)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104224133 MFLKJTWDLMBFCM-SIMXEPKYSA-N 609.116 7.260 5 40 KKBB O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105491274 GEJINYFWMCDMHI-UHFFFAOYSA-N 516.560 5.964 5 40 KKBB COc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1I 164107998 VTOPGVNVPSXZQN-ITIZVALFSA-N 747.352 5.445 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224909333 DQDAULTVARLFQH-NRFANRHFSA-N 647.581 5.963 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 225583144 CMBWYFNWTGWVEU-SXOMAYOGSA-N 527.606 5.560 5 40 KKBB CCCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1 408560650 DTXUSSRLUIUJPK-FLFQWRMESA-N 508.825 6.254 5 40 KKBB CCn1c(S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1ccc(Cl)cc1 408635081 YPEWCROTRBQLSY-HYARGMPZSA-N 573.483 7.549 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1)c1ccc([N+](=O)[O-])cc1 408639140 VKCLVPKENOSZMI-OAQYLSRUSA-N 510.502 5.319 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)CC1=O 408642624 PFSHDPIGTMQDCH-HNNXBMFYSA-N 526.343 5.150 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n31)c1ccccc1CC2 408765049 BHZODQFESZDUDL-IIMDPYCFSA-N 630.509 6.802 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408833260 XFFGHNHPNWKDIG-KEPJHFNWSA-N 600.483 6.794 5 40 KKBB CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl 408842313 IZCMSFSMEBFICW-YBFXNURJSA-N 627.856 7.188 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)cc1 408849876 AESJLKPVBYUDNA-FVUNBJOLSA-N 786.617 6.652 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409096993 FPJLNZFFNYKXHJ-DFXMODJXSA-N 652.729 5.442 5 40 KKBB COc1cc(CNc2cc(Cl)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409112623 FQEBGLGVNYWWGN-UHFFFAOYSA-N 538.769 6.361 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409143837 IVDKGCJNWIWPKO-ZWTBYVTRSA-N 806.327 6.881 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409182744 NLHNFGJUDLMIKK-IPAKXIGBSA-N 727.033 6.409 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(SC)cc1 409188705 KGVWDSBIULOMAC-HBMWKUFKSA-N 795.368 7.649 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c1 409269445 BQWNXYCCZNBYRW-FSJBWODESA-N 505.552 5.763 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 409316645 LUDBIUFGUQXFFC-UHFFFAOYSA-N 552.834 5.149 5 40 KKBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 409388596 MTRGYBIOJCPELZ-GORDUTHDSA-N 513.131 5.615 5 40 KKBB CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 2094658 NYYVEFIOGFAQSB-XMMPIXPASA-N 503.551 5.654 5 40 KKBB biogenic CCCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCCOCC)c(CC)nc32)cc1 6150801 ZUNXHLJQCDLNFB-UHFFFAOYSA-N 527.625 5.230 5 40 KKBB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3O)oc2c1 14275138 MWMUPYMVEYHCJJ-UHFFFAOYSA-N 514.519 5.804 5 40 KKBB O=C(Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 97951190 RDBATOLYKLRLGJ-UHFFFAOYSA-N 536.415 8.090 5 40 KKBB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1[N+](=O)[O-] 100310338 OCOOAQNEIFJIOC-UHFFFAOYSA-N 527.356 5.306 5 40 KKBB O=[N+]([O-])c1cccc([C@@H]2CC(c3c(O)nc4ccc(Cl)cc4c3-c3ccccc3)=NN2C(=S)Nc2ccccc2)c1 100838539 RUANDARYORJCAJ-MHZLTWQESA-N 580.069 7.717 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccc(Br)cc1 101086408 UCFIRLSJTKLLRW-RMKNXTFCSA-N 564.133 5.424 5 40 KKBB O=[N+]([O-])c1cc(Cl)cc(Cl)c1OP(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 150362195 JGHNVQOTECEASX-UHFFFAOYSA-N 651.950 9.095 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214183066 UWJKTVYNTJTDTE-YDZHTSKRSA-N 510.955 6.072 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223552170 KMYOPAWMOJXCRX-ZOYWYXQUSA-N 663.196 5.998 5 40 KKBB Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 224769255 BOQWSGHSVDRWTE-LOYHVIPDSA-N 596.759 8.371 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1Br 224938231 LXKYYJIHZYNOOK-BJKOFHAPSA-N 534.439 6.029 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225286677 ZOWPSLWLTZFLSP-AREMUKBSSA-N 621.543 5.431 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225623043 XQOOGUNQGGWHLF-IBGZPJMESA-N 686.014 6.009 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260939475 OAIFQCPDWKPAQM-MGBGTMOVSA-N 741.694 6.826 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261097151 VIQFTCXJQLNCQQ-RTWAWAEBSA-N 710.047 5.855 5 40 KKBB CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408559427 ZSMYQEHXXQQLBR-DEOSSOPVSA-N 563.857 6.767 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408566587 FQGMTNIKBANYCV-DLXDESGFSA-N 631.321 5.758 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1C 408567739 HHKAMIPIZGAPSK-VWLOTQADSA-N 598.479 6.552 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 408575034 VQNMISPHCXMSAO-SANMLTNESA-N 539.057 6.625 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc12 408577796 ZXPIJWQWWHNXEF-WJOKGBTCSA-N 568.699 7.434 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc(F)c1 408606537 IMGQIWWJBUWZET-UHFFFAOYSA-N 522.314 5.928 5 40 KKBB C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408648590 WTRCFYRHPOAGCM-JTQLQIEISA-N 615.640 6.787 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408737241 MRNRFPWFFWJSOT-HHHXNRCGSA-N 538.560 5.310 5 40 KKBB Cc1cc(C)c(CSc2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C(=O)O)cc3s2)c(C)c1 408750381 MDQAZSUUYOYLIL-UHFFFAOYSA-N 507.593 6.373 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408818780 OWBWGKLZNMVGAN-HMAPJEAMSA-N 555.406 6.576 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl 408845718 REMXVQGHNKJOSC-QGMBQPNBSA-N 652.693 8.096 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)cc1 408850544 BRONIUSKFTYNHJ-HVDVVURSSA-N 620.687 5.749 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408936348 HVVTVPBEMASALS-NBQDTTAVSA-N 736.641 6.234 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409056629 HORCBZOVZZVLCK-XKZIYDEJSA-N 616.877 5.737 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccc2ccccc12 409076947 BYKZQCYPGWZCSJ-XQNWCSQWSA-N 565.607 5.120 5 40 KKBB COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n21 409147567 XJQZIRLBLQFZTL-GRXWAMFVSA-N 666.181 5.315 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3cccc(Cl)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409177311 DFYLZSFKGOFYPK-JBDHCHCMSA-N 638.529 5.901 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 409191231 DWBGAOAJEWXHCT-DJPQNNMESA-N 785.691 7.096 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(OCC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O 409244247 AAKHPAKDOJOMSP-RGVLZGJSSA-N 521.389 5.781 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409260054 JYXGLFQUZNALTL-WSDLNYQXSA-N 726.286 6.302 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409274528 PCHHBXZULIBXEQ-MXAYSNPKSA-N 542.529 5.425 5 40 KKBB Cc1ccc(Cl)cc1-n1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)c(C)nc21 9462036 QRCMZANHQUMYHE-UHFFFAOYSA-N 500.389 6.256 5 40 KKBB O=c1c2cc(Br)ccc2oc2nc(-c3ccc(Cl)cc3)n(CCc3ccccc3)c(=O)c12 11851723 HMBUFZGGPHQUJV-UHFFFAOYSA-N 507.771 5.829 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 102890285 PWVRXKYEONVPMP-WFPUBZAHSA-N 590.035 6.494 5 40 KKBB O=c1oc2cc(Oc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[N+](=O)[O-])ccc2c2c1CCC2 103006555 VIXKORBFGIWOOG-UHFFFAOYSA-N 546.479 5.802 5 40 KKBB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 103556312 UHXKNIZXANIXRU-IEMSDXTESA-N 601.615 5.468 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214829767 IWIPQSFJAVJDHH-UFFVCSGVSA-N 576.370 6.847 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 215240905 XPBZJIMTHOPAAG-PGGKNCGUSA-N 554.964 5.801 5 40 KKBB Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1Cl 224789657 CCNKZDHHJSLUQV-XZWHSSHBSA-N 599.137 8.540 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1C 225172341 LWRQYQCDEXLDNE-IZLXSDGUSA-N 557.632 6.092 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225428364 BUHNZZJVXXDBMY-AREMUKBSSA-N 554.043 5.192 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225632154 IXXZYLZWTQQFRS-SANMLTNESA-N 588.488 5.845 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260865854 AIIKJRLLUNQNSD-UXHICEINSA-N 621.543 5.429 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(F)cc1 408565662 CRMZTKHPFZZBQG-JOCHJYFZSA-N 551.402 6.850 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 408566096 DWFAMZLLGBNDLL-RUZDIDTESA-N 593.920 7.624 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408568414 UJPQYLSOYXQWOL-DNKZPPIMSA-N 586.870 5.602 5 40 KKBB O=[N+]([O-])c1ccc(NCc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 408607261 KIEIYHJAKKMGAA-UHFFFAOYSA-N 526.612 6.964 5 40 KKBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408645422 SIDNGRUTWQZOIU-GFCCVEGCSA-N 546.750 5.480 5 40 KKBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)cc1[N+](=O)[O-] 408661088 AYIFTMBLWJCUNO-UHFFFAOYSA-N 541.560 6.139 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 408728483 NGIMQIKLNYSHRB-BMPBIMJCSA-N 697.143 7.454 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5c(ccc6ccccc56)C4=C[C@H](c4ccc5c(c4)OCO5)[C@@H]3C2=O)c([N+](=O)[O-])c1 408733504 YPLJKYLMYNTFHP-UQMGHXSLSA-N 590.544 5.007 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccs1 408842028 NIUMIJCKPXVXQZ-QFDNUGPTSA-N 601.637 5.304 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408848523 ZLHIKPOTXANUER-PRLWALMFSA-N 587.654 5.062 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n21 408933607 BOKCBZNIAHAKCI-IYVASWNSSA-N 652.523 5.435 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCN(c2ccccc2)CC1 409019501 ZKOCXNWQPOEEBE-YZSQISJMSA-N 637.512 5.321 5 40 KKBB CCCOc1ccc(Cl)cc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 409156545 OROSSPQKPDYCBD-FQKMCRJQSA-N 608.072 5.327 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)o1 409384264 AAGOMGDKHRFFMW-SRZZPIQSSA-N 620.377 5.395 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F 1005637 TZAWLZKPHRWXDB-PKTZIBPZSA-N 505.481 6.199 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2s1)NCCOc1ccc(Cl)cc1 2240614 VDPHHAMCQFCXSX-UHFFFAOYSA-N 543.026 5.398 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2 2251261 QNKOWXUFTJYNAG-UHFFFAOYSA-N 509.953 5.065 5 40 KKBB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)coc2c1 2272775 SMTKGUBHBPDLJT-RCDICMHDSA-N 528.514 5.044 5 40 KKBB O=[N+]([O-])c1ccccc1-c1nnc(CSc2nnc(Cc3ccccc3)n2-c2cccc(Cl)c2)o1 6446353 QZMVWSIZHKUSJM-UHFFFAOYSA-N 504.959 5.762 5 40 KKBB O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1sc2cc(Cl)ccc2c1Cl 8894126 CBFIPQOAVYRFKI-UHFFFAOYSA-N 509.421 6.367 5 40 KKBB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)o1 19929284 FRPFPNVHVCENLA-UHFFFAOYSA-N 503.751 5.556 5 40 KKBB Cc1ccc([C@@H](NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1 20039131 NGWRCGREYIILOT-NDEPHWFRSA-N 515.591 5.004 5 40 KKBB Cc1ccc(N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]2C[C@@H](C)N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccc(C)cc32)cc1 100152308 CWDBVXKWBFGBHL-RHTDYXTPSA-N 616.674 7.746 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 101670228 SUUWPAJIUSSOMG-UUQNIDNHSA-N 576.008 6.104 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 102099185 LEJPFFYPVREWFB-UZXVLJJWSA-N 616.626 6.356 5 40 KKBB O=C(c1cc(Cl)ccc1[N+](=O)[O-])N(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 102226744 QCAXMYKJUYFBIH-UHFFFAOYSA-N 528.226 6.316 5 40 KKBB CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 103777344 CYFIKSWIWGYPCV-UHFFFAOYSA-N 546.630 5.861 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n31)c1ccccc1CC2 103818595 GRPGGLCSZHFPRM-UAMLYEQYSA-N 596.064 6.149 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306675 YYTGOCQMKVCBCD-UHFFFAOYSA-N 572.430 5.673 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccccc1 111465499 IVGZJZPDVXIOPQ-GARKAJJMSA-N 617.683 5.423 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150395645 DIGHEOFVVWMKMO-KMCFWPMWSA-N 667.696 5.130 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 205663745 GGUJQXOSCHFBSM-FOKLQQMPSA-N 528.945 6.211 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222931020 FHLIJNULWIBFIQ-XIFFEERXSA-N 776.139 7.480 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224384813 QUWADFLCQRJVGI-LJAQVGFWSA-N 640.734 5.112 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)o1 225001402 IZACLTMSFJYWEC-KYJUHHDHSA-N 604.132 7.325 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1F 225622879 OVYLFPUNTJMJQH-FTJBHMTQSA-N 531.569 5.390 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260981950 OEEUYQQVQYPSSR-DWACAAAGSA-N 645.178 5.483 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260992598 NTIWMMGUDFBCCH-JOCHJYFZSA-N 691.634 6.280 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1Cl 408564782 AEVHHYFIKVEYTI-SANMLTNESA-N 539.057 6.625 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 408565312 BQOLTLCPUDGQQY-JFDTUHHPSA-N 532.811 5.794 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1C 408566670 FYEYALBDUAABQL-VWLOTQADSA-N 543.476 7.188 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCC 408577028 YKJJMICATKNSTB-HXUWFJFHSA-N 521.437 5.554 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408677502 BZLVIXZZCDXTAL-UHFFFAOYSA-N 751.407 7.152 5 40 KKBB O=C(COC(=O)CCCCCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)Nc1cccc([N+](=O)[O-])c1 408686063 RWCQAGCKTQMEBT-UHFFFAOYSA-N 577.204 5.547 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccccc1 408768134 CEPRNWRVPYILOI-ZPMAPHDVSA-N 601.684 5.815 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408827659 LSQMPYFOIOVAGF-FQKMCRJQSA-N 638.529 5.901 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408852723 VUDAQXSGBALHKX-MFCBUNOESA-N 608.072 5.407 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)c(OC)c1 408978482 MHDWFNOVCJMTSA-YCMYYBHNSA-N 692.750 5.387 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1cccc(OC)c1 408993719 FEPMARUJEPXLAH-JOHYPREOSA-N 647.709 5.431 5 40 KKBB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)N(C)C2=S)cc1 409043242 DLCKLZMKRMLYEK-HAHDFKILSA-N 568.449 5.939 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 409089931 PGGXULWIRQQFMV-UHFFFAOYSA-N 511.312 7.319 5 40 KKBB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409136446 TVOJAFMFUCYYRV-NRFANRHFSA-N 531.038 5.026 5 40 KKBB COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 409177670 HSGVUNUDABTVPW-UHFFFAOYSA-N 563.733 5.404 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409270566 HILSSFUUPGSJQT-ODLFYWEKSA-N 500.941 5.912 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2253440 IPYRUQUHPPSYBL-UHFFFAOYSA-N 504.352 6.086 5 40 KKBB c1ccc2c(c1)ccc1cc3cc(NCCCCNc4ccc5nc6c(ccc7ccccc76)cc5c4)ccc3nc12 4773967 WTFZDIIBNGNKSR-UHFFFAOYSA-N 542.686 9.700 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)nc2c1 22833467 NTKSJLBCOABBIG-AWEZNQCLSA-N 508.987 6.697 5 40 KKBB Cc1ccc([P@@](=Nc2ccc([N+](=O)[O-])cc2Br)(Oc2ccc(Br)cc2Br)C(C)(C)C)o1 97983426 KXMUSXHYYWYAKU-WJOKGBTCSA-N 635.087 8.734 5 40 KKBB COc1ccc(CSc2nnc3c4c5c(sc4n4c(SCc6ccc(OC)cc6)nnc4n23)CO[C@@H](C(C)C)C5)cc1 100158777 ZUHKHWRBQWQDHD-HSZRJFAPSA-N 618.810 6.686 5 40 KKBB COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nc(NC(=O)c4ccc([N+](=O)[O-])cc4)nn32)cc1 101002501 GAMHRDIDRRSYDO-QFIPXVFZSA-N 502.918 5.157 5 40 KKBB O=c1[nH]n(C2CCCCCCC2)c2nc3c(oc4cc(O)ccc43)c(-c3cc4cc5c(cc4nc3O)OCO5)c12 101409596 INBLNMPQCKBHTF-UHFFFAOYSA-N 538.560 6.265 5 40 KKBB O=C(c1cc(Cl)ccc1[N+](=O)[O-])N(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1c(F)c(F)c(F)c(F)c1F 102233279 LURQEWRZUOGDFM-UHFFFAOYSA-N 550.179 5.993 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2=O)=N1 103755709 LYTOEOVZZRLRSY-LCQSEVKBSA-N 615.042 5.835 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306120 UJKPWDVVLNQTQG-UHFFFAOYSA-N 536.013 6.174 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106686399 MDKAKHAAQLGCJJ-MTJSOVHGSA-N 511.943 6.071 5 40 KKBB COC(=O)c1ccc(Oc2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc2OC)c([N+](=O)[O-])c1 106697471 UTHHTFYFHZSVBI-FMCGGJTJSA-N 538.509 5.558 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1 163552944 UBFFDNFHSCOCIM-JESJEVRBSA-N 708.749 5.175 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1cc2c(cc1Cl)OCO2 215279910 HNDOUEQGLQLOAW-QPJQQBGISA-N 657.804 7.787 5 40 KKBB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224160397 LUIFKHNLWGQNPB-VWLOTQADSA-N 631.151 5.012 5 40 KKBB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224760763 WSRHYOVRMXKJAT-PKTZIBPZSA-N 504.662 6.688 5 40 KKBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224791948 IDGLBFVGWZSRBL-LJAQVGFWSA-N 545.705 5.835 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225204445 LKPUINMYBVGJKF-MUUNZHRXSA-N 689.206 6.156 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225268500 LCBCTKFQFOQCPW-VWLOTQADSA-N 649.141 5.233 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260988850 CGWKIRAGQBMITJ-SFTDATJTSA-N 649.141 5.232 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260994697 QNMXNHNSURLLBT-CUNXSJBXSA-N 675.204 5.491 5 40 KKBB CO[C@@H](C)C1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3[C@@H](C)O 299754512 BEZGXBMGGVINBF-RTWAWAEBSA-N 612.727 6.763 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408569074 IPZOGDYWZZMFAX-RUZDIDTESA-N 559.475 6.970 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 408572108 QQHNBRROQJASOL-HSZRJFAPSA-N 584.312 7.878 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408640076 HESJYUXJONBFAS-FTJBHMTQSA-N 601.999 5.049 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408640078 HESJYUXJONBFAS-IZZNHLLZSA-N 601.999 5.049 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408648125 JQGXCQIRBHKFNN-YASBFDIKSA-N 718.549 7.826 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408831380 PHFLHIGSYZKCHZ-VPHSIRQSSA-N 755.587 5.297 5 40 KKBB COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)cc1 408841390 GQGDWRWBJUXOSU-YBFXNURJSA-N 613.829 6.798 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408877153 QGRHBIJDBGJHBG-QRVIBDJDSA-N 585.997 6.040 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1 408990734 YKBVEGBSRQMEJD-JOHYPREOSA-N 690.759 5.036 5 40 KKBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 409067331 CNUYBFRABWYPDK-LBFZPMSMSA-N 511.339 5.078 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1C 409161754 AUUOXLKTERBHBJ-FSJBWODESA-N 548.533 5.587 5 40 KKBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n[nH]1 409162816 IEYZISUDAHQSBN-FQEVSTJZSA-N 572.072 5.348 5 40 KKBB O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409176340 KXYUAFBVBNCZBX-UHFFFAOYSA-N 573.388 7.949 5 40 KKBB CCOc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1OCC 409188596 FGDUBNXKHBATRM-STZFKDTASA-N 581.375 5.718 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccccc1N1CCOCC1 409198903 GEHVEARAXJEGBF-OEAKJJBVSA-N 613.446 5.129 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409222833 DGQBBRBKXYSPKZ-FSJBWODESA-N 677.448 5.991 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 409273831 LUTVRLURFKVAPA-YDZHTSKRSA-N 508.939 5.746 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409275347 IQDVHDUQUPSJJG-XKZIYDEJSA-N 534.550 5.083 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 409313430 BXZXFGZWQCDHFD-UHFFFAOYSA-N 526.373 5.179 5 40 KKBB Cc1cccc(/N=c2/ccc3c(-c4ccccc4C(=O)O)c4ccc(Nc5ccc(S(=O)(=O)O)cc5C)cc4oc-3c2)c1 4235525 JTZASYYVYRBIFY-NHYZDEDTSA-N 590.657 7.742 5 40 KKBB O=c1c2cc(-c3ccc4nc(-c5ccccc5)n(-c5cccc([N+](=O)[O-])c5)c(=O)c4c3)ccc2nc(-c2ccccc2)n1-c1cccc([N+](=O)[O-])c1 8397934 CNSDINOLCGLABI-UHFFFAOYSA-N 684.668 7.902 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 8437090 PTJSQLMMPYEKSG-VNOBABJFSA-N 636.129 6.468 5 40 KKBB Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c1 8833183 AELQWSYWQULFAP-UHFFFAOYSA-N 501.568 5.438 5 40 KKBB Cc1cc(Cl)ccc1OCc1ccc(-c2nc3c4sc5nc(C(F)F)cc(C)c5c4ncn3n2)o1 13644159 OFTWRBLZBLJASO-UHFFFAOYSA-N 511.941 6.934 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F 16195854 RXFRYEHBHFKUSG-UHFFFAOYSA-N 504.356 5.286 5 40 KKBB O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Oc1ccccc1 59417119 PIDYGXLGOUAGSD-UHFFFAOYSA-N 500.351 6.442 5 40 KKBB CC(C)(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 103079654 SQIVIPPHVFJDRR-HEHNFIMWSA-N 535.600 6.723 5 40 KKBB CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 103129166 XAOOWXIRMXOVLH-UHFFFAOYSA-N 542.635 5.978 5 40 KKBB C[C@H](CCc1ccccc1)Nc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] 104579279 HDGWPRHMQYVSON-LJQANCHMSA-N 520.546 5.171 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 163647869 ILBWNNYICMUPPC-VIYYDIFJSA-N 755.556 5.195 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 164542901 LJPBTWDVBPSLSU-HNVAQCFTSA-N 708.705 5.562 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 214984824 RCBQKNZZSMHKRY-FSJBWODESA-N 638.323 7.878 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223912916 PFUKQJBHZUIHAV-SIBVEZHUSA-N 542.463 5.999 5 40 KKBB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223945152 GETLACROEKMBFF-SFHVURJKSA-N 671.987 5.621 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224492505 WCCVZCNLERXOMG-QHCPKHFHSA-N 538.497 6.001 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224688772 ITHJATLAWXYSTG-VWLOTQADSA-N 636.771 5.282 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224860946 LJXFOUUYOZIVAH-YTTGMZPUSA-N 727.667 6.579 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 229647973 QLVSTNCGMUSMBH-XLCRYHPNSA-N 547.592 5.638 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 260985957 BRSHHTMMSBDDHM-HRFSGMKKSA-N 665.596 5.231 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Br)cc1 408566781 GDDXDIAVVCWBCO-VWLOTQADSA-N 662.404 7.497 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(Oc5ccc(C(F)(F)F)cc5[N+](=O)[O-])cc4)c(=O)n32)cc1OCC 408933048 GZPXKQLZIIRINH-MKTOWPBFSA-N 669.634 5.535 5 40 KKBB CCc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Br)c(C)c4C)c([N+](=O)[O-])cc(c23)C1=O 408999717 SDYFKKUVTVMJFW-UHFFFAOYSA-N 544.405 7.234 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409002632 VUVSSSNHTQVHGM-FUAQWRKOSA-N 693.803 6.153 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409050774 ZOZPVDIGFYGUMQ-UOVKPGFYSA-N 796.649 5.007 5 40 KKBB O=C1/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)NC(=S)N1C1CCCCC1 409077477 FOPGCILUSOALQY-MOSHPQCFSA-N 516.417 5.327 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409096382 KEEQSWHSCHLFGY-VXLYETTFSA-N 507.362 5.391 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409165531 ZDTRARDLDZKJQX-ZVHZXABRSA-N 551.552 5.387 5 40 KKBB CCOc1cc(CNc2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409184068 WLXJBHLRHKXYKS-UHFFFAOYSA-N 538.769 6.443 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409189546 HSLWEWMSBQQVEC-FSPONLMBSA-N 801.734 7.892 5 40 KKBB O=C(CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccccc1F 409217610 QTDWMJHCIJKYCM-SRZZPIQSSA-N 648.239 5.369 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)cc2[N+](=O)[O-])cc1 409273894 MRYBRHPTYFQRAB-JJFYIABZSA-N 541.557 6.008 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409335083 XMCIDLMROZSYCK-OYKKKHCWSA-N 562.604 5.979 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O)N1CCCCC1 409380015 FVCZTPNRNMBKPJ-NDENLUEZSA-N 550.420 5.529 5 40 KKBB C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3319798 WKJKCFFXBOCDGZ-QGZVFWFLSA-N 540.630 6.357 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cccc(COc6ccc(F)cc6F)c5)nc34)c12 13644195 ZVAOOOFDKAIXKP-UHFFFAOYSA-N 509.488 6.657 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 22847472 SZEFCDUTLLBOFN-UHFFFAOYSA-N 523.018 5.760 5 40 KKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 62556269 WWKZNABFUABKEP-HSZRJFAPSA-N 518.923 5.769 5 40 KKBB CC[C@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 100052728 DYGSLDJMGUBSDS-XGFDYLOESA-N 506.558 5.701 5 40 KKBB CCOc1ccccc1NC1=Nc2ccccc2N2C1=Nc1c(c(C)nn1-c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1 102456812 ADSRPRKRIVMJMY-PMERELPUSA-N 569.625 7.283 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6C)o5)c(=O)n42)c2ccccc2CC3)cc1OC 104658044 KZHPOJSUOYWKTN-KFOJKGMOSA-N 605.672 5.813 5 40 KKBB CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3Cl)CC2)cc1 105025652 QULLGNWQULACMX-AWNIVKPZSA-N 549.027 5.651 5 40 KKBB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Br 105576392 ZAMRJMSZZWMTJM-UHFFFAOYSA-N 514.788 7.054 5 40 KKBB O=C(O)c1c(Cl)ccc(Cl)c1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12 150459910 KOVBXGCOIFQOOK-UHFFFAOYSA-N 716.785 8.325 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222826993 VRGZAXKYHLYQRN-AREMUKBSSA-N 661.177 5.101 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223675999 GVPJBIXSUWGWII-GDLZYMKVSA-N 624.760 5.139 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 225052834 NMVLPFAULILNSO-MHZLTWQESA-N 600.499 5.988 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)o1 225087381 VKSBBTGBTWZOEZ-ROJLCIKYSA-N 621.675 6.453 5 40 KKBB COc1cc(CNc2ccc(Br)cc2C)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408608105 KMDKHTSCODKGQA-UHFFFAOYSA-N 590.190 7.860 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408827712 GFVLNSSYEYLRBU-VZIOXZNFSA-N 617.989 5.471 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408835765 YBAWSBIHSJXEEN-SUAMDDGLSA-N 727.431 6.119 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 408909116 GBJKJESCLXSOHW-CLNXTWJPSA-N 653.738 5.493 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 409093308 YTPXAWYOTJTPCK-AOFXREQWSA-N 632.698 5.370 5 40 KKBB Cc1ccc(C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409179130 PYQNGPFCZCRBDF-UHFFFAOYSA-N 527.316 5.359 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OCC)cc1 409191210 DJAOTPSSDFHQCC-SRTOOPEESA-N 793.327 7.326 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)c1ccc([N+](=O)[O-])cc1 409270215 GKVUKQOCEKUDFX-SSDVNMTOSA-N 550.461 5.123 5 40 KKBB O=[N+]([O-])c1ccc(Oc2ccc(C(=C(Cl)Cl)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 2185042 SWYZWEXYIPVUBF-UHFFFAOYSA-N 523.328 8.282 5 40 KKBB COC(=O)CN(c1ccc2cc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3nc2c1)S(=O)(=O)c1ccc(C)cc1 4232952 DXUANLLRLCIIPY-UHFFFAOYSA-N 589.695 5.174 5 40 KKBB biogenic Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccc(C(C)C)cc4)c3)CC2)cc1 8855098 UINWCUFUYRXJDV-UHFFFAOYSA-N 508.644 5.150 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8900158 QIYFVTVTSIMPDI-UHFFFAOYSA-N 513.337 5.799 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@H]2C=Cc3ccccc3N21 9313381 NMHDINZUWSXCHF-KRCBVYEFSA-N 500.554 6.345 5 40 KKBB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 16194514 PUXVVVMFPGAGEL-VMPITWQZSA-N 519.429 5.263 5 40 KKBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(-c3cc(-c4ccc(F)cc4)co3)cc2)NC(=O)N1 27515740 FCCQDUPYGSKQQB-AREMUKBSSA-N 512.497 5.928 5 40 KKBB CCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1[N+](=O)[O-] 59331400 MKBMGLLOWXKENP-UHFFFAOYSA-N 518.595 5.730 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccc(F)cc6Cl)o5)nc34)c12 98046191 HKHUZZFNWDWQFZ-UHFFFAOYSA-N 533.894 6.846 5 40 KKBB CN1C(=O)[C@H](C(c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H]2C(=O)c3ccccc3N(C)C2=O)C(=O)c2ccccc21 102899166 SUVFUFALJBPNIU-KAYWLYCHSA-N 583.984 5.543 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1Br 103540276 SKBFYJCKVOADAM-POTDNYQPSA-N 588.414 5.073 5 40 KKBB O=C(c1ccccc1Cl)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 103546701 IBCZGCCENCMFBC-KCIBBDPESA-N 576.008 6.104 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 105303888 BSIQULPUQOMMGA-XBXARRHUSA-N 565.866 6.052 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1 105833383 CGSFBXDSQQPERV-JFJBFUCOSA-N 520.416 7.584 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 111469775 AGQLPKVYNVNTRD-CLNXTWJPSA-N 607.644 5.112 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Br)[C@H]1[C@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150389194 PQCIWCLZNVPWIH-PDAJONCFSA-N 797.613 10.462 5 40 KKBB O=C(N/C(=C/c1ccc(/C=C(/NC(=O)c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 150427158 ZMKQXKHGOTXVSE-ZXHXELASSA-N 690.676 7.112 5 40 KKBB Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2-c2ccc([N+](=O)[O-])cc2)cc1 150447559 ZSQKWVHIXNNZTE-NDEPHWFRSA-N 667.773 5.711 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CCOc1ccccc1 150471612 JCFGUGYYKMTNPN-HMAPJEAMSA-N 634.302 6.814 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1 163253054 KDMGTSIJSRCJMO-FVUNBJOLSA-N 632.654 5.936 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214399701 INPAWQKDMKVURT-AUEPDCJTSA-N 613.397 8.348 5 40 KKBB C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222987349 SHBAOMJBSLJBAF-OAHLLOKOSA-N 512.459 5.467 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 261018109 VBZFMGHUVIHZQR-UUWRZZSWSA-N 654.789 5.797 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1C 408565974 DLFZIIICGZWLTI-VWLOTQADSA-N 598.479 6.552 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1C 408571572 PBQVKOILCKTRAA-RUZDIDTESA-N 543.476 7.188 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCC 408573081 SKLHYZHAOBBKDJ-LJQANCHMSA-N 525.400 5.385 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 408640840 IZTGHCUOSUKSEG-UOKFIYJESA-N 610.450 6.355 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408650708 MTFRQAXWEWOVRI-ZRZAMGCNSA-N 622.417 5.312 5 40 KKBB CCOc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3OC)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408804684 GNEJWODSVWGRSL-UHFFFAOYSA-N 541.005 5.997 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408823599 NZGPXDHLWPEUEA-FUFNRSNVSA-N 713.006 6.100 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1 408856292 JTCBRRKKUGJEQP-YWEMJKAQSA-N 646.725 5.760 5 40 KKBB O=C(COC(=O)c1cccc(I)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409178807 IOCRXSDTWUAAGJ-UHFFFAOYSA-N 503.248 5.031 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cccc(OC)c1 409189105 CSWMFVQMXMMTOH-HBMWKUFKSA-N 779.300 6.935 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccccc1N1CCOCC1 409205895 QMSXOGUOIQSADJ-AFUMVMLFSA-N 707.481 6.680 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)Nc1ccccc1Cl 409248721 IDWZHIFWVXEVCT-SRZZPIQSSA-N 775.746 6.711 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 409271074 ISUXVMNYKZRQAL-UUYOSTAYSA-N 545.425 6.972 5 40 KKBB Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1C 409272337 YEUWVYBTBFJKRU-DHRITJCHSA-N 624.469 5.911 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)cc1Cl 409275313 ZYBNWIXMHTVGKG-BHGWPJFGSA-N 584.006 5.519 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3cccc4ccccc34)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409276246 ZGWPHLOOHVOGMS-JVWAILMASA-N 524.554 6.246 5 40 KKBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409360671 BUNHMPSUFSDMIX-LJQANCHMSA-N 508.431 5.932 5 40 KKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1 6136379 LEVWEQHDUZIROA-UHFFFAOYSA-N 509.975 5.159 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)o3)nc2c1Br 8444882 BOGGIGFUEOFHAO-UHFFFAOYSA-N 707.257 7.975 5 40 KKBB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])scc12 11757938 VIXPEHROJQNFKK-UHFFFAOYSA-N 533.349 5.091 5 40 KKBB COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]3c2ccc(OC)cc2)cc1 97979956 CDKATGCAQCFDAJ-JEAIMIFUSA-N 590.032 6.245 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccc([N+](=O)[O-])cc6)o5)nc34)c12 98046141 FXVSRTYDFCZKBJ-UHFFFAOYSA-N 526.456 5.962 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3cccc(C(F)(F)F)c3)CC2)cc1 98047139 KMNRJKDKOMKXGF-UHFFFAOYSA-N 544.537 6.341 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C1=C(N=2)/C(=C\c2ccc(Cl)cc2)CCC1 102916709 SPVJNZAKSVGKMB-PPIHBRFNSA-N 588.516 7.006 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccccc1 103862954 WDOYBCHRCFGMSK-YSGLVZJUSA-N 566.682 6.242 5 40 KKBB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105304563 XXZOKWXVOVLGSS-UHFFFAOYSA-N 532.969 5.677 5 40 KKBB O=c1c2ccc3c(=O)n(-c4ccc(N5CCCCC5)cc4)c(=O)c4ccc(c(=O)n1-c1ccc(N5CCCCC5)cc1)c2c34 105421243 IFHYXQQIHJPLHI-UHFFFAOYSA-N 584.676 5.025 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 150368592 CGXFWZRDOOFBEM-VFAWPYSXSA-N 733.391 5.509 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 150384338 HRDLVRRBEQDLGF-UHFFFAOYSA-N 632.975 6.117 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1C[C@H](C)O[C@H](C)C1)N(C)C(c1ccccc1F)=N2 150430562 QRHXIVUKFZQGFG-RGRLHWDSSA-N 666.492 7.112 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 224825818 MVFCBJQRTVRDOG-JWQCQUIFSA-N 502.552 5.444 5 40 KKBB CC(=O)N=c1c(-c2ccccc2)cc2cc3cc(-c4ccccc4)c(=NC(C)=O)n(C(C)=O)c3cc2n1C(C)=O 245240924 VFQLMCHZZXTWRN-UHFFFAOYSA-N 530.584 5.145 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccco1)[C@]21C(=O)Nc2ccccc21 248332138 IIGHFBBSFNYSHR-BQUCCUTGSA-N 545.551 5.434 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccc(Cl)cc1)[C@@]21C(=O)Nc2ccccc21 248337205 PNPZEWJZMSIVKO-AOFBEVEVSA-N 590.035 6.494 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1 408568077 HOMOSEZFKPDBLY-XMMPIXPASA-N 648.377 7.107 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1C 408568225 HYIQUIKQZVCJBD-VWLOTQADSA-N 587.927 7.298 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)c1 408571996 QGDJAJZFVOSQPU-DEOSSOPVSA-N 584.452 6.244 5 40 KKBB COc1cc(CNc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408612183 UTWSXQPPIVMCLC-UHFFFAOYSA-N 512.187 6.864 5 40 KKBB Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1 408641608 KPWZCVSFBMVUBU-GFCCVEGCSA-N 773.026 6.878 5 40 KKBB O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccc(Cl)cc1[N+](=O)[O-] 408666543 VCELPUYJQLIJMQ-FZNVTIIDSA-N 627.908 6.445 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408686896 SQJPKEGBXPPTMF-SNINSWTHSA-N 658.536 6.252 5 40 KKBB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Nc5ccc(C)cc5)c4cc23)cc1 408719886 GZENBTNRIACQJW-UHFFFAOYSA-N 598.706 9.238 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408732860 ABCMTNRSTZTYLY-YRSDHNRQSA-N 684.941 7.187 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408770520 YLFXSXMYGCGFFF-CJCCVFIKSA-N 899.352 6.432 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408988811 SIVJABQPOKUFAK-QYIOYSLNSA-N 903.920 7.285 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 409176259 ZIMUOROWRCKGOV-OEAKJJBVSA-N 503.536 5.157 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 409330514 BBXBWPXPDKVAMY-DMYKZIHUSA-N 749.842 6.771 5 40 KKBB CC(=O)Nc1ccc(Oc2cc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)cc([N+](=O)[O-])c2)cc1 807081 XCAZSNAWVWNZIJ-UHFFFAOYSA-N 517.464 5.078 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(c1ccccc1)=NN2c1ccccc1 8407444 JNQHBFUMZTVGBB-LJAQVGFWSA-N 519.586 6.134 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 9303785 HYBUQLUCDVUQJM-UBFVSLLYSA-N 515.909 5.559 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc(O)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 12650310 CJSLUIOXWBEVAM-IFRROFPPSA-N 500.872 5.179 5 40 KKBB O=C(Nc1cc(OCc2ccccc2)c(Cl)cc1Cl)c1sccc1Oc1ccccc1[N+](=O)[O-] 12960076 PLMPWQVPFFBOQN-UHFFFAOYSA-N 515.374 7.587 5 40 KKBB CCN(CC)CCCNc1cc(C)nc2c1ccc1c2ccc2c(NCCCN(CC)CC)cc(C)nc21 31959780 YSIDWZOJLWGBAN-UHFFFAOYSA-N 514.762 6.841 5 40 KKBB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NCCSCc1ccc(Cl)cc1Cl 59881906 GEODCUGVMJHHBT-UHFFFAOYSA-N 554.477 5.147 5 40 KKBB O=[N+]([O-])c1cccc([C@H]2Oc3c(Br)cc(Br)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1 97999539 VWNOZGKGURHWBE-RBBKRZOGSA-N 563.633 7.016 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1ccccc1Cl 100989981 GOLBRTZBDAXXIX-FMIVXFBMSA-N 529.721 5.722 5 40 KKBB CCCCCCNC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n(Cc2ccccc2)c2nc3ccccc3nc12 102896174 HRHSOFYTOJNJAP-VHEBQXMUSA-N 576.657 6.503 5 40 KKBB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)cc2)cc1[N+](=O)[O-] 102994351 UNKQNTUTINOWMU-UHFFFAOYSA-N 573.030 6.825 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCC(C[C@H]2CCC[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 104479981 QBUVUUDXKYKDED-JHDZUBBNSA-N 538.605 5.954 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(c1cc(Cl)ccc1Cl)=NN2c1ccccc1 104496904 INOIHWLCCHHXRG-LJAQVGFWSA-N 588.476 7.440 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c(C)c1 105161141 ITLPXJRQIPVIGA-ZVHZXABRSA-N 531.590 5.774 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 105980693 RLVKWMYXNUXWHG-LSHDLFTRSA-N 594.270 7.480 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745578 QKCBZHIHRNUCNQ-CFRMEGHHSA-N 503.967 6.488 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)c(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC 163270699 DYHHCTJUTSVZIU-CHJZGFJOSA-N 771.602 6.716 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 164512669 NHLWAVNHFZCSEX-POKSHJSXSA-N 648.653 5.544 5 40 KKBB COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 222527224 VFIXSZUHWJNDAB-DHUJRADRSA-N 684.815 5.888 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223224548 QFDUYTQOERNWDD-FCHUYYIVSA-N 675.602 5.202 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(F)cc4Br)o3)cc2)cc1 224788825 CCUFLJUZAFXSKW-WDYNHAJCSA-N 647.551 8.480 5 40 KKBB COC(=O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224793731 DGKQMSRIYOAOKV-IHLOFXLRSA-N 608.701 7.365 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224918434 RHWILEVXVYOECP-MUUNZHRXSA-N 566.123 6.180 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225151210 HAYCOBNIPUUPDE-NHCUHLMSSA-N 665.596 5.746 5 40 KKBB Cc1nc(C)c(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)c(-c2cccc([N+](=O)[O-])c2)c1C(=O)O 226821006 XJPFRTCYDMQXMM-UHFFFAOYSA-N 595.696 7.061 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12 408566816 OYWXSGZYCTZSON-JQZJBFTCSA-N 614.496 6.244 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1 408571020 MVINGLPCNKGRMA-AREMUKBSSA-N 504.612 5.972 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)cc1 408571033 MYDHASTYYUJTGE-DEOSSOPVSA-N 573.444 6.175 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408640378 AXBRQNYFPTZWNY-MOVYAIRMSA-N 636.444 5.392 5 40 KKBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]21 408658058 URFYELOAECOJEN-MROGCYOMSA-N 636.444 5.558 5 40 KKBB O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408766572 CZOHSEPQXBKYSR-BHFPBWTASA-N 679.379 7.556 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408835030 XTTSAZJQVGCYQR-MIUGUJGPSA-N 771.484 6.598 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O)N1CCN(c2ccccc2)CC1 409011105 MBQKJCBZQANMNN-PCLIKHOPSA-N 612.586 5.791 5 40 KKBB CCCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1OC 409150395 BVNRDRXMTZNOFI-JLHDDXNDSA-N 631.707 5.462 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409169261 PBTUTPIAMOPXPY-FOKLQQMPSA-N 619.599 6.811 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(F)c1F 409270816 RJOPZAVULMWNNO-DJKKODMXSA-N 597.449 6.498 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)c1ccc(Cl)cc1 409275302 UCMBLTIKYYNQSC-KEBDBYFISA-N 547.770 6.190 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O 409381695 VNXAEZFQKJRXIT-NHCUHLMSSA-N 628.434 5.415 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)o1 409384318 AWZNUDDQWYDPGI-SRZZPIQSSA-N 650.403 5.403 5 40 KKBB O=C(Oc1cn(CCc2ccccc2)c2nc(-c3cccs3)n3c4ccccc4nc3c12)c1cccs1 2447220 IHNDVUKLVSAEAL-UHFFFAOYSA-N 520.639 7.089 5 40 KKBB COc1ccc(-c2n[nH]c3c2[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(Br)cc2)C3=O)cc1 20212849 MRUFJBDKRYLCAZ-HSZRJFAPSA-N 505.328 5.506 5 40 KKBB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105319139 WNTNGYVNEHPLMB-UHFFFAOYSA-N 527.433 7.421 5 40 KKBB O=C(Nc1cccc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)/C(=C/c1c(F)cccc1Br)NC(=O)c1ccccc1 150484700 CCIYQWMALUUZJL-VBSNSAIWSA-N 689.519 6.330 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223335161 RTNNIJBJJDVOQH-MHZLTWQESA-N 645.178 5.483 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223488405 UYKRYNCWZSIMGW-KDYSTLNUSA-N 554.112 6.036 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NS(C)(=O)=O 225469817 LRCMUGUIGBVVFV-DQEYMECFSA-N 549.634 5.107 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 225635560 HVSOBZKGZCXMFZ-IZLXSDGUSA-N 540.649 5.399 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 225697290 OFIPRYANABOZNA-SVBPBHIXSA-N 527.606 5.560 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 226692333 OHOHBRNZKSCGIR-KXANFNGZSA-N 602.646 6.784 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc(Br)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 227545029 QJLKXYKLYWLTMO-BIQRORRISA-N 587.426 5.798 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)C1 260919557 MGMKJOBUQKZAJZ-NELHGCTQSA-N 588.133 7.563 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408564395 CMUZECKZIBMNGH-OCAOGGMISA-N 612.908 6.135 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1ccccc1 408566747 GAPZUAPPBALQAI-QHCPKHFHSA-N 525.428 6.027 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408567079 GICOJMHILWJYOY-DLXDESGFSA-N 586.870 5.648 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408650328 MIQHXHQAPMTBQN-PLQXJYEYSA-N 559.962 5.232 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408680821 GZTGUMHRVLLKNZ-FZDFQQAASA-N 608.994 5.606 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1Cc1ccc(Br)cc1 408929071 GUNJYASKPMBNRH-LPYMAVHISA-N 508.328 5.029 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 408950090 RNTPTZITGZTJMB-ACHQHTMYSA-N 711.196 6.422 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408984922 NINSMTKUWFXOOA-WGJPBTIMSA-N 686.573 6.730 5 40 KKBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409027122 ADMYVZGKTXETHB-UHFFFAOYSA-N 545.661 5.897 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409101509 XXUUQVNCURLGLD-BUELQQIUSA-N 611.767 6.572 5 40 KKBB COc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 409114406 HKKFFOHRBVDIFQ-PGUFJCEWSA-N 620.105 8.197 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409159151 ZGZNEIULJAWRLP-MFKUBSTISA-N 547.589 5.556 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409166431 DIOLQJFVXMDURG-CVKSISIWSA-N 561.616 5.864 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409373441 SUXZHRMIRMXXOL-UHFFFAOYSA-N 582.016 7.497 5 40 KKBB COc1cc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl 1069378 XORNXCZFKTUTLB-XMMPIXPASA-N 519.945 5.543 5 40 KKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cc(-c2cccc(Br)c2)nc2ccccc12 3288186 WCOPTDXTVBNXEV-UHFFFAOYSA-N 536.381 7.281 5 40 KKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@H]2c2cccc(OCc3ccccc3)c2)no1 9449081 LWTDVDJCEYGYNM-MUUNZHRXSA-N 514.537 6.571 5 40 KKBB Cc1ccc(-c2nn(-c3cc(N4CCN(C(=O)c5ccc(Cl)cc5)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1 29491422 LJMXASFFALUEPW-UHFFFAOYSA-N 580.044 5.885 5 40 KKBB C[C@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 32578456 TYEQGXJBFZSLSP-HNNXBMFYSA-N 500.577 5.073 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]3c2ccc(OCC)cc2)cc1 97971169 OVEBLQBUPDIOPA-UITCBPOKSA-N 560.050 7.482 5 40 KKBB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@@]1([C@H]2C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)N=C1C 100998676 YRGNNBWEALFYLI-USIGKAAMSA-N 625.645 5.410 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 102889741 YEKSFGXTSXPVKO-WFPUBZAHSA-N 555.590 5.841 5 40 KKBB COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)c(Oc2cc(C[C@H]3c4cc(OC)c(OC)cc4CC[N+]3(C)C)ccc2OC)cc1OC 150388062 XCLBDNOYLJKGLS-SZAHLOSFSA-N 728.927 7.372 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 163703215 JEAPESPZDVPXBH-ORVZPOCUSA-N 741.598 5.900 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)n1nc(NCc2c(F)cccc2Cl)nc1NCc1c(F)cccc1Cl 199431851 ZNLIQZHXQUPEDK-UHFFFAOYSA-N 533.322 5.684 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224159752 QKTXUOWYHRVHHH-AREMUKBSSA-N 519.667 5.383 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(Sc4ccccc4)o3)cc2)cc1 224785288 NMGFUSBQBVLBKN-WDYNHAJCSA-N 582.732 8.062 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225374278 BMVXAPDLYOLLHQ-UMSFTDKQSA-N 672.779 6.018 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225457809 CKHNDDZLJTWXFX-SANMLTNESA-N 554.043 5.192 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 225562491 PYOKCEMNIOIESJ-NSOVKSMOSA-N 541.633 5.814 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 248342416 YEKSFGXTSXPVKO-CTMYTVLESA-N 555.590 5.841 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 408570972 MMTWUNKOFICJHT-VWLOTQADSA-N 593.920 7.624 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 408575968 XCBGOZADPFPZEI-SANMLTNESA-N 589.501 6.979 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1)c1cccc([N+](=O)[O-])c1 408636765 BVFKHNPLTYIDKM-OAQYLSRUSA-N 510.502 5.319 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408646671 UBJUFLRIJLCKMZ-WCQFOESSSA-N 789.195 6.982 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4c(ccc5ccccc45)C3=C[C@H](c3ccccc3)[C@@H]2C1=O 408732055 ORUVRULLMUKRTM-COMWGTSQSA-N 530.536 5.578 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 408769886 QGVZOACACDNVRN-ISZRBDKASA-N 711.594 6.132 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 408995321 MEPRIVKKPCJHHH-HNVAQCFTSA-N 803.631 6.045 5 40 KKBB COc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Br)c(C)c4C)c([N+](=O)[O-])cc(c23)C1=O 408998506 UXZAMIVPIOGYRM-UHFFFAOYSA-N 546.377 6.680 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 409176517 PVCIUJPUVZIVHH-UHFFFAOYSA-N 524.573 7.294 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409192207 VPPKJBVOARNBAL-XQNWCSQWSA-N 721.648 6.443 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1 409194710 QKAIVMFJMFOFPK-YIECNSLDSA-N 761.694 7.148 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 409228502 ASXGAUZPPJNQOL-YDZHTSKRSA-N 584.006 5.519 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cc(C)cc(C)c4)C3=O)cc2[N+](=O)[O-])cc1 409275737 WHUYMDOBGANXTK-OYKKKHCWSA-N 533.631 6.346 5 40 KKBB COc1cc(-c2cc(=O)c3cc4c(=O)cc(-c5cc(OC)c(OC)c(OC)c5)oc4cc3o2)cc(OC)c1OC 1646942 VAJCUPZKJQVAFX-UHFFFAOYSA-N 546.528 5.285 5 40 KKBB CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)c(C)nc32)cc1 2246470 RQPMOVFBVJDQLV-UHFFFAOYSA-N 503.562 5.125 5 40 KKBB O=C(c1ccccc1Cl)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 33353049 YYQYWLHJQBGYRV-HHHXNRCGSA-N 627.882 7.511 5 40 KKBB Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1 97954463 KEIOUNZRSOINTR-IARZGTGTSA-N 549.539 5.174 5 40 KKBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 97980172 ZROFMDBZHNTQJE-AGOSLVPCSA-N 575.496 7.939 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 100362340 VRMABJDPXFOARP-ZVHZXABRSA-N 535.534 5.717 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 102470081 JSYSUCVPWDEWLW-UUQNIDNHSA-N 576.008 6.104 5 40 KKBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 103179668 OKFBKUZRCISHQN-POIJPHIMSA-N 537.403 5.887 5 40 KKBB CC(=O)O[C@@H]1C[C@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1 118913750 BGSZAXLLHYERSY-MHEMTWBMSA-N 557.840 5.966 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)cc(Br)c5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1OC 163288772 ASYOFJKANWJPQA-YIDORKBYSA-N 789.502 7.348 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 197764245 IGUKVYDFFBOVBI-QGZVFWFLSA-N 565.681 5.168 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224991680 LHLBOOXLXGEWTR-FGZHOGPDSA-N 631.151 5.093 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1NC(C)=O 225331600 HVUPFEGNUDRBEC-KAYWLYCHSA-N 559.604 5.403 5 40 KKBB CC(=O)O[C@@H]1[C@H]([N+]2(C)CCCCC2)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@]4(C)[C@@H]3CC[C@]12C 253588058 GVEAYVLWDAFXET-IXIAITOOSA-N 572.875 6.111 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260890677 LHLBOOXLXGEWTR-YADHBBJMSA-N 631.151 5.093 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261068134 PBUZFMWVNSJAKV-HXUWFJFHSA-N 665.596 5.746 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 408565546 CGWNPXPRVJICBJ-RUZDIDTESA-N 583.508 6.734 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(F)c1 408568737 IMCRADCEJLEHPR-RUZDIDTESA-N 601.498 6.792 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(Cl)cc3)cc2Cl)cc1 408575407 WDLRFIKFAQDQMS-HSZRJFAPSA-N 563.894 7.533 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C(=O)O)n[nH]2)c1 408633654 OJXWMFKPXHMRHT-UUYOSTAYSA-N 522.539 5.492 5 40 KKBB Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408641709 LEANJAFSACKUTG-GFCCVEGCSA-N 595.222 6.442 5 40 KKBB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 408664600 SUSKJUKQJPDASN-GJLUAVECSA-N 626.496 6.046 5 40 KKBB O=C(OCc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408666535 VBIOCTHXIPSXAG-ZOMWRJOCSA-N 627.480 5.843 5 40 KKBB CC(C)c1ccccc1NC(=O)CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 408749446 GXALWHJPVZYJLI-UHFFFAOYSA-N 532.603 5.859 5 40 KKBB COc1cc(CNc2cccc(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409111904 DVNPABAEPLLPMB-UHFFFAOYSA-N 504.324 5.708 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409205642 RSXGIYRSTCUIAH-XKZIYDEJSA-N 548.577 5.473 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409206770 XONVQWWCJHEGAE-RMORIDSASA-N 696.941 5.770 5 40 KKBB COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409229566 RDNBRKJCARUFNG-WOJGMQOQSA-N 541.807 5.663 5 40 KKBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCSCc1ccc(Cl)cc1Cl 2089094 DXOYWHCYCLLBJZ-UHFFFAOYSA-N 554.477 5.147 5 40 KKBB COc1ccc(C2=NN(c3nc(-c4ccccc4)c4ccccc4n3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 6924906 FDFWCEMIXBAUAD-NDEPHWFRSA-N 501.546 6.569 5 40 KKBB COc1cc2c(O)nc3c(C(=O)N[C@@H](C)CCCC(C)C)c4nc5ccccc5nc4n3c2cc1OC 11692065 IHDQFEOACGLWEE-INIZCTEOSA-N 501.587 5.251 5 40 KKBB O=c1[nH]c2c(s1)[C@H](c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl)[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11990746 QOGOWCLXSZOUGF-SIYJYVLVSA-N 501.029 6.229 5 40 KKBB COc1ccccc1-c1nnc2n1N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C(=O)c1ccccc1)S2 12624722 MDFSTKPXRFELEW-UNMCSNQZSA-N 507.959 5.157 5 40 KKBB Cc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc2-c2ccc(C)cc2)cc1 25390237 QXEVMIIZMFFYPH-UHFFFAOYSA-N 505.987 6.115 5 40 KKBB CCCn1nc2ccccc2c1[P@](=Nc1ccc(OCC)cc1[N+](=O)[O-])(Oc1cccc(Br)c1)C(C)(C)C 97976780 HLJCQWSTIIRZIV-LHEWISCISA-N 599.466 8.466 5 40 KKBB Nc1c(Sc2nc3ccccc3c(=O)n2-c2ccc(Oc3ccccc3)cc2)c(=O)[nH]c2ccc([N+](=O)[O-])cc12 102606723 ZBUDVSLVDVWKQG-UHFFFAOYSA-N 549.568 5.661 5 40 KKBB CCOC(=O)c1ccc(NC(=S)N2c3ccccc3N=C3CC(C)(C)CC(O)=C3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 102872143 FZVDDDUPUBGYBU-MUUNZHRXSA-N 570.671 7.434 5 40 KKBB O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 103527689 QOTPHVVLIPXXEX-DZDVJMQSSA-N 610.453 6.883 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104258881 YXIPCEKMQLVIJU-NVIQENEESA-N 525.386 5.199 5 40 KKBB CCOC(=O)c1c(-c2ccccc2)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccc(F)cc3)cc12 105072824 WEDCIXSYMKSHMG-UHFFFAOYSA-N 588.569 6.360 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 105249244 AMRMNPQYVUDPGK-UHFFFAOYSA-N 569.283 6.844 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105318324 ZSMCSSABTDZXBO-UHFFFAOYSA-N 559.623 5.443 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n31)c1ccccc1CC2 163205305 MTWNWZBYMNHTJJ-UDHMSBBDSA-N 680.580 6.577 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 164523543 SQWKGAJDLDXWCP-CTHKJOMYSA-N 775.475 6.948 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 215002106 PZBVHIZFXHHATL-YDZHTSKRSA-N 614.430 6.480 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N[C@@H](c1ccccc1)c1ccccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 215922148 WAEZTZJRDQTMBJ-PMERELPUSA-N 594.089 5.975 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224295421 PAUICOPDJYBFRD-WJOKGBTCSA-N 632.714 5.096 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224882037 DREKWCOKFIDCTL-OAQYLSRUSA-N 647.581 5.963 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 226517163 VQVOKINOJHJTMS-PYNPIJKISA-N 598.995 5.638 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 229598274 PQIBSHXKQSCGPU-CILKRHGOSA-N 559.553 5.590 5 40 KKBB CCCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=Cc4ccccc4N2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)cc1 248142679 CMICDHUVEMGCEC-WXIAYYLYSA-N 537.572 5.046 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 408571298 OHPGOLXRLSZTFN-DEOSSOPVSA-N 543.020 6.456 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408731260 ZRBHQGPDNKXJPE-PRLWALMFSA-N 626.603 5.135 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1Cl 408832161 RLJJCNWCZXJNRU-VPHSIRQSSA-N 613.095 5.363 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5OC)o4)c(=O)n32)cc1 408853905 ZNGNOYPQHUEIGA-WOSHRIRTSA-N 636.686 5.449 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408859430 XFZDMQLPBJWTTG-YVBHXKDBSA-N 601.681 5.371 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)o1 408943707 LVVOCIPMEDJDCS-IYVASWNSSA-N 668.522 5.135 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OCC 408944414 MISXFVINTDDXFH-SXSMZTLPSA-N 738.613 5.464 5 40 KKBB CCOc1cc(C(c2c(C)nn(-c3ccccc3)c2O)c2c(C)nn(-c3ccccc3)c2O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408983175 FVVFHCFRZNNNNF-UHFFFAOYSA-N 645.672 6.792 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409087687 JJYWLEXBVYHZEC-OBDCIHEFSA-N 679.220 5.834 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1 409092834 ZNYUZUMCEDQMQH-ABBNRAPFSA-N 641.134 5.377 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCN(c2ccccc2)CC1 409206355 VFJPPHNGFWDIMF-PCLIKHOPSA-N 612.586 5.791 5 40 KKBB O=[N+]([O-])c1c(O)nc(/C=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)nc1O 409332336 QTHKIMHEOBQYCK-WAYWQWQTSA-N 541.127 5.210 5 40 KKBB Cc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409387425 WOUPIYUCMOFCFY-MTJSOVHGSA-N 537.619 5.877 5 40 KKBB O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3o2)cc1)c1ccc([N+](=O)[O-])cc1 3064729 QZQKPDOAGFQJDY-UHFFFAOYSA-N 523.461 5.816 5 40 KKBB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c1 3314593 UBODCAFQIZHSDC-NDEPHWFRSA-N 542.975 6.633 5 40 KKBB Cc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)CN2N=N[C@@H]4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)[C@@H]42)[C@H]3c2ccc(C)cc2)cc1 8455512 MAJCDONOJJQSSW-ZBRVDDERSA-N 617.666 5.328 5 40 KKBB C[C@@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCCc1c[nH]c2ccccc12 8792355 YNALEBZPGHPNGU-GOSISDBHSA-N 500.558 5.199 5 40 KKBB biogenic Cc1ccc(OCc2nnc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2Cc2ccccc2)cc1C 15231411 FFIYKUAGOZJOBI-UHFFFAOYSA-N 514.529 6.600 5 40 KKBB O=c1oc2cc(S(=O)(=O)Oc3ccccc3Cl)ccc2c2ccc(S(=O)(=O)Oc3ccccc3Cl)cc12 102415320 VRPOATHBERXTOJ-UHFFFAOYSA-N 577.419 5.788 5 40 KKBB C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 102900480 FPMDCDYIGNVTGG-AWEZNQCLSA-N 537.504 5.799 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n31)c1ccccc1CC2 104655234 QPAQUYDYZNHCSJ-DUCIMOQJSA-N 601.684 5.815 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 104659059 UCBWEIXTJZTNFL-JLHDDXNDSA-N 545.620 5.795 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 106185681 BJQAGCVBUILZKU-UHFFFAOYSA-N 557.934 5.418 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C 106739156 OVYACWLQNKGMOZ-YSMPRRRNSA-N 561.616 5.981 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 150454881 KCQXYCBKGSSDBT-NGDRWEMDSA-N 629.647 5.202 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(I)c5)c(=O)n42)c2ccccc2CC3)cc1OC 163289474 PQLFOAJFOCDBGT-SXDQJOKOSA-N 883.502 7.032 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223820238 PFSULFHBPZAHND-QCBOHVIISA-N 741.694 6.969 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224521000 ICNJELBKGFXSFK-MHZLTWQESA-N 635.570 5.142 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(F)cc4)o3)cc2)cc1 224785836 BPJMJSMTDBMDPC-VMPREFPWSA-N 568.655 7.717 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225020483 KLWQKKNYSNBFOZ-NDEPHWFRSA-N 671.216 6.017 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 229596428 GKACDUHCMJDVPI-YQQRZDPSSA-N 571.589 5.460 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260871923 KYVMAWBXAZTYOU-UUWRZZSWSA-N 672.804 5.580 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 408565700 CVACGRQRZFHXGX-XMMPIXPASA-N 589.899 6.689 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C(=O)O)o2)c1 408633813 PRPABHAWZQBWNX-QRVIBDJDSA-N 535.534 5.459 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)O)o1 408633994 QUFLGJVGSFYCAU-FSGOGVSDSA-N 651.100 8.649 5 40 KKBB Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1C 408637421 KDVAUULNIRTHAW-DEOSSOPVSA-N 580.593 6.575 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408687513 UNAYEICIYKAYQW-ZYNNUQKQSA-N 703.533 6.161 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]23)cc1 408727550 FJTKUDULMQYYSN-JXWCMEKSSA-N 692.724 6.810 5 40 KKBB CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 408736612 DUWCGHLAPNWHHO-OAQYLSRUSA-N 507.572 5.132 5 40 KKBB Cc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C1=O 408754906 ALPZQBWULJQVAA-UHFFFAOYSA-N 502.324 6.363 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408829648 OIEGMTJUQSLRED-UQDCTOEPSA-N 725.561 5.207 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408829650 PPHVPAMUTJAASC-VZIOXZNFSA-N 633.988 5.171 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 408840842 CFAORCPCZLXSSI-DEDYPNTBSA-N 507.296 5.229 5 40 KKBB O=c1/c(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408842445 KFFUCYCFMSEIPE-KHVZVQPESA-N 700.795 8.491 5 40 KKBB CCc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1 409103085 DFZZCXRJGWPZEA-UHFFFAOYSA-N 504.921 7.228 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409168622 NDFJTFJJYMQEAV-YDZHTSKRSA-N 600.005 5.759 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409176069 XXMZVDQSDJHLLQ-YDZHTSKRSA-N 555.406 6.181 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409184962 ZLUGLWCIQXXREO-AFUMVMLFSA-N 615.586 7.042 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1c1ccccc1 409271548 JXQSYYWNRMAIOJ-JAIQZWGSSA-N 565.323 7.409 5 40 KKBB CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409274148 MYLXOQVOMLOKBG-UVHMKAGCSA-N 546.645 6.381 5 40 KKBB CCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)N(C(=O)CC)c1ccccc1-2 684613 YQSUAWWUBWCXAM-XMMPIXPASA-N 503.540 5.653 5 40 KKBB CCCSc1nc2sc3c(c2c2nnc(SCc4ccc([N+](=O)[O-])cc4)n12)C[C@](C)(CC)OC3 1860968 JWHROAOPDHMKPB-QHCPKHFHSA-N 515.686 6.283 5 40 KKBB COc1ccc([C@@H]2CC(c3ccc4c(=O)n5c6ccccc6nc5c5cccc3c45)=NN2c2ccccc2)cc1 8857209 CVOZSTDJJVKERB-HKBQPEDESA-N 520.592 6.956 5 40 KKBB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1N1CCCCC1 12497113 CDTQWXQGELKRAY-UHFFFAOYSA-N 525.587 5.039 5 40 KKBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc2c(Br)cccc12 14275246 PDHMTMYVQNQYGT-UHFFFAOYSA-N 509.179 5.400 5 40 KKBB Cc1ccc(C)c(C2=NN(c3ccccc3)[C@]3(SC(c4ccccc4)=NN3c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 98002722 XYVIVOCDTMZBEJ-PGUFJCEWSA-N 581.701 8.210 5 40 KKBB COc1ccc(-c2nc3c4sc5nc(C(F)F)cc(C)c5c4ncn3n2)cc1COc1ccccc1Cl 98046260 KQECKHFPHSHBDY-UHFFFAOYSA-N 537.979 7.041 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 100190001 HRKYLISZDIZMMX-SUAMDDGLSA-N 592.073 5.743 5 40 KKBB CCCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] 101720902 RQKQGSKGJFWZCU-CVXGXVHTSA-N 537.641 5.406 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@@]21C(=O)Nc2ccccc21 102191028 SHEJUFCNSNOQPC-MRXMROIASA-N 611.698 7.040 5 40 KKBB O=[N+]([O-])c1cc([C@@H](Nc2ccccn2)n2nnc3ccccc32)ccc1Sc1nnc(-c2ccccc2)n1Cc1ccccc1 103763833 KDODZDKSCSJCTD-HKBQPEDESA-N 611.691 6.852 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OC 103791323 DIBRLBXSPNOYEX-KEQCBNTKSA-N 604.482 5.007 5 40 KKBB CCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 105305964 DCKGBQLMWFGDSB-UHFFFAOYSA-N 529.626 5.008 5 40 KKBB C[C@@H]1C[C@@H](N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 105513263 RWJJXSVSKATMDR-YKGWIAGDSA-N 564.598 6.188 5 40 KKBB O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 108563633 OTNVUPIVOPKDQP-XMHGGMMESA-N 591.605 6.237 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 150454889 KCQXYCBKGSSDBT-JBOQNHBVSA-N 629.647 5.202 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 222706201 RJNGHAFFTNQBKZ-AREMUKBSSA-N 554.043 5.048 5 40 KKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)o1 223949525 PVRBZTGMIVAMCG-RRPNLBNLSA-N 527.606 5.264 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 224068873 FUCOIVOMQQCBIY-IZZNHLLZSA-N 551.024 6.106 5 40 KKBB O=C(O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224786928 FUSVXAYKHCALRF-URLMMPGGSA-N 594.674 7.276 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225260688 CYVRXNYEMLCKHH-PMERELPUSA-N 705.661 6.670 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260900609 DSHJTEQJXBZVSR-UXHICEINSA-N 621.543 5.429 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260954303 UXDXIBCQRQBDCM-PGUFJCEWSA-N 686.831 5.828 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260964417 ZVTABXZQKOVHNZ-MGBGTMOVSA-N 741.694 6.826 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 408565122 HRRTWHCUNGTENZ-ZVFGGPEJSA-N 552.002 5.511 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c1 408572165 QRZQHIFIKKBUHK-DEOSSOPVSA-N 563.894 7.533 5 40 KKBB CCn1c(S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408631512 FHXUZUXVELEHDG-QFEZKATASA-N 641.500 6.450 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4[C@H](C3=O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C3(Cl)Cl)cc2)cc1 408642268 MPVSPYORGXXVOL-CJKHBJSASA-N 786.235 6.809 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)S2)cc1 408772457 PKQIAJNIULCJRC-PNZYDNNZSA-N 540.439 6.098 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc(C)ccc4c3Cl)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408838928 KIVHCONWZWCDEJ-YBFXNURJSA-N 653.521 8.602 5 40 KKBB CC(C)(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccc4nc(SCC(=O)Nc5ccccc5[N+](=O)[O-])sc4c3)n2-c2ccccc2)cc1 408979876 DFKDFCXUEADGIW-UHFFFAOYSA-N 739.905 8.123 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 409051038 HCGOOJIDJYGNDX-UUYOSTAYSA-N 712.303 6.928 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409108296 ZPXZWWOEPJQJHU-YDZHTSKRSA-N 564.982 5.066 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1CC1CCCCC1 409136214 XUOLTILWFAXLKG-CIAFOILYSA-N 521.422 7.097 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409180496 YPQHSURLKCNUNE-AREMUKBSSA-N 535.961 5.862 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c2)cc1 409180546 WVCWJWMFGOWDQZ-LJAQVGFWSA-N 536.584 6.926 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n1C 409357035 IESKSHGQRHAWKE-HXUWFJFHSA-N 565.483 5.587 5 40 KKBB COc1ccc(/C=C2\CCCC3=C2N=c2s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n2[C@H]3c2ccc(OC)cc2)cc1 2049076 JJCOIPWPCWJDCS-YDRBULEKSA-N 565.651 5.408 5 40 KKBB CC[C@@H](Sc1nc2ccccc2c2nc(-c3cccc([N+](=O)[O-])c3)nn12)C(=O)Nc1ccc2c(c1)OCO2 2969101 QTYBRMLIPCIKQZ-JOCHJYFZSA-N 528.550 5.091 5 40 KKBB O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8900870 SGLZLWKGFXWETI-UHFFFAOYSA-N 515.353 5.243 5 40 KKBB O=C(O)c1ccccc1C(=O)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 17466162 VTJTUNJMDOZWKD-YDCZLDCASA-N 526.505 5.638 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 18096715 HYBUQLUCDVUQJM-DSNGMDLFSA-N 515.909 5.559 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)cc2[N+](=O)[O-])cc1 32125023 GWNGYDPTUWDGBT-UCQKPKSFSA-N 519.604 6.038 5 40 KKBB Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 34827939 FBRCFDAYXVPRNL-UHFFFAOYSA-N 512.551 5.332 5 40 KKBB Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)c1 59331433 PUGRBIXZALJPRK-UHFFFAOYSA-N 517.611 5.273 5 40 KKBB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 66157591 QTAHMRXRMVHHTC-UHFFFAOYSA-N 527.002 5.459 5 40 KKBB CCOc1cc(C(=O)Nc2cc(C(F)(F)F)cc3c2sc2nc4ccccc4n23)cc(OCC)c1OCC 98008145 ZBBCNHJOFBUUBE-UHFFFAOYSA-N 543.567 7.169 5 40 KKBB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1 100233281 DUCKDGSXOJDMQV-ONNFQVAWSA-N 545.854 6.529 5 40 KKBB C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)C(=O)Nc1ccc(Cl)cn1 103083566 VCTSRFVZZKTPQD-GMYFBSLISA-N 542.979 6.252 5 40 KKBB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3O)nc2c1 105310598 IYZBWKHMYVUKFF-UHFFFAOYSA-N 528.546 6.058 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 150353220 YWWYYPITDJESIH-JLNIMSJUSA-N 637.091 7.437 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 150396546 NAXYBVRNEIDQAF-POKSHJSXSA-N 637.739 6.134 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 150472410 NZFWINXEEICSKK-XQNWCSQWSA-N 636.151 5.910 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163662665 JVDHXEKFPYPIFN-VVNKCDPRSA-N 799.949 6.095 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222744357 HMORPQPSLCPLFL-XMMPIXPASA-N 546.476 5.521 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225262302 YXHIVQQWIQYHRQ-LEWJYISDSA-N 665.596 5.746 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408565168 IKPQXBKVAKGTJZ-NKCAPHFPSA-N 528.392 5.149 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1 408570655 LSUAWNKWPKGBSY-XMMPIXPASA-N 543.020 6.374 5 40 KKBB CCn1c(S/C(=C/c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408633983 QQBZPZGMTWYIQI-ZMOGYAJESA-N 564.645 6.259 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733365 HNISRWBJWIZXMY-VPHSIRQSSA-N 639.642 5.233 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408927186 VPESTCLRARKFGS-YVBHXKDBSA-N 694.629 6.158 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1 408927785 RFEFTMHGNOJKAG-WJTYMRCSSA-N 684.774 6.164 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409081080 GDUGLADQCSTNFZ-ITIZVALFSA-N 658.914 5.391 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)N1Cc1ccccc1 409110423 BWXDXTDHUZHAQS-HHHXNRCGSA-N 518.400 7.263 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 409169143 OZXFUKXHAAYSPA-MTJSOVHGSA-N 543.985 6.214 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)NCCSCc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409179667 UAQYHTMWLMIRSH-UHFFFAOYSA-N 632.975 6.117 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409228071 SZLNZHGASWWJPC-YDZHTSKRSA-N 553.980 5.511 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 409320734 COICTOXXLJUKKZ-UHFFFAOYSA-N 542.828 5.693 5 40 KKBB C=C/C=C(\C=C)[C@@H](CCN(C)CC(C)(C)OC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 936069040 YKEREWIYGUSPGG-WNLAERMFSA-N 613.755 6.729 5 40 KKBB Cc1ccc(-c2nc3ccc4c(-c5ccc(C)cc5)nc5ccc6c(-c7ccc(C)cc7)nc7ccc2c2c7c6c5c4c32)cc1 1776010768 FCYLKUKVKKLCAI-UHFFFAOYSA-N 573.699 11.031 5 40 KKBB O=C(O)c1cc(-c2cn(Cc3ccc(Br)cc3)c3ccccc23)nc2ccc3ccccc3c12 2138482 BAQDFYKLVZYVJU-UHFFFAOYSA-N 507.387 7.519 5 40 KKBB Cc1cccc(N(C(=O)c2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c2ccc3ccccc3c2)c1 3117283 WSPHMBICLSBTBI-UHFFFAOYSA-N 527.536 6.836 5 40 KKBB COc1ccc(OC)c([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)c1 8437148 TYBFXDGZRBLJBV-SELCLYCASA-N 626.090 6.158 5 40 KKBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 20060834 PBSMCIMIGGURMR-UHFFFAOYSA-N 507.593 5.421 5 40 KKBB O=C(Nc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1)c1ccc(Cl)cc1Cl 59417688 ZWXLRVOFJWMOPY-UHFFFAOYSA-N 519.431 9.281 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Br)cc3)CCC[C@@H]2[C@H]1c1ccc(Br)cc1 96022725 ZOESZJOOIKSZAE-IXXPZIILSA-N 680.397 7.393 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1c(Cl)cccc1Cl 100359993 VWNMMLFKBRLOTG-UFFVCSGVSA-N 546.344 6.839 5 40 KKBB O=[N+]([O-])c1cccc(C2C(c3nc4ccccc4[nH]3)=C(c3ccccc3)NC(c3ccccc3)=C2c2nc3ccccc3[nH]2)c1 102919257 MQBCXWHGQABBOJ-UHFFFAOYSA-N 586.655 8.171 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 150385000 WDVYVIZWDOKXJH-FBCYGCLPSA-N 713.109 9.479 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 150394581 BTQFAUXZRHTFOK-POKSHJSXSA-N 637.670 5.121 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 214524584 JUVDRNRKOOGDCQ-ZVHZXABRSA-N 583.460 6.880 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214603940 FEMWVDLHVQJMJM-FSJBWODESA-N 544.507 6.959 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc(F)c3)cc2)cc1 224781805 LPPHSOKSHIQWHC-VMPREFPWSA-N 567.671 7.248 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 225141546 LEXFMVKBDIWLAC-CLJLJLNGSA-N 562.051 6.675 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225332765 KWHWPDYXKNTCHC-UMSFTDKQSA-N 689.234 6.533 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225504089 BFHHNVWTBQOURA-UMSFTDKQSA-N 723.679 7.186 5 40 KKBB CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229909251 RPAXCEFFCPZUKA-BEJGJRQXSA-N 597.671 6.794 5 40 KKBB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)/C=C/c5c6ccccc6cc6ccccc56)CC[C@]4(C)[C@@H]3CC[C@]12C 245226097 HWPKACQLFFCDBD-YMRSDWIWSA-N 616.930 11.959 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 248328875 CELMTJHKWOYMKC-YUAOJYLXSA-N 600.587 5.749 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260839553 AQFLGKUFIUMBTH-MGBGTMOVSA-N 737.673 6.034 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(OC)c2)cc1 408565005 AYGIVLBZTVPVAX-SANMLTNESA-N 538.601 5.811 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408565089 HQVREXIWAAZWFI-NUWWLQTNSA-N 633.326 6.398 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1ccc(Cl)cc1 408569900 KFBJXYCZXZPGQF-QHCPKHFHSA-N 559.873 6.681 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1 408640069 HDRJSVBEKVQOBL-ZBWOKKAISA-N 686.546 5.935 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc([N+](=O)[O-])cc1 408683269 KYKVFSFLQUSRTK-UHFFFAOYSA-N 789.969 6.089 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]32)cc1 408731363 KADUWVWGFRKWSO-JSRHHAARSA-N 560.562 5.587 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408830215 OSAPQAJRNROPQC-FUFNRSNVSA-N 713.006 6.100 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409033598 FTMKZYLHSPVWSS-XSTKMXAKSA-N 757.059 6.497 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CC1CCCCC1 409139519 ARLUYYXYAORMOH-CIAFOILYSA-N 610.324 7.315 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 409192140 AWKDPCBEJJZPBU-JLHDDXNDSA-N 731.256 6.187 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409207531 WBXQQVXLMRAYQL-XKZIYDEJSA-N 534.550 5.164 5 40 KKBB CCOc1ccc(NC(=O)[C@@H](C)Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1 409337371 SWWMPDZLIFMKSO-CQSZACIVSA-N 548.602 5.523 5 40 KKBB O=C(O[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 4974679 VBDBDZHLJKDSSB-VMUUGTOHSA-N 569.610 5.864 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 8401046 RMQDAOXXPDCYPP-SUAMDDGLSA-N 639.608 5.526 5 40 KKBB CC(C)Oc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 9008483 WKWUYGYTWGQGKR-UKILVPOCSA-N 508.372 6.387 5 40 KKBB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 9543572 BZHAGXLNFCUXIN-UHFFFAOYSA-N 506.511 5.321 5 40 KKBB COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCCC[N+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)cc2)cc1 79210004 OIYMOZFHZYEACX-WWCYQRRUSA-N 710.956 7.792 5 40 KKBB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(C(c2cccc([N+](=O)[O-])c2)c2ccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)c(Cl)c2)cc1Cl 98002564 ZFFLASJQZZMBNR-UHFFFAOYSA-N 786.238 10.297 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1 100342963 CFTPSBBJIHMGSI-RGVLZGJSSA-N 542.367 5.601 5 40 KKBB CCOc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)c1 102762983 YAXQSZGROMJYRA-XPWALMASSA-N 528.348 5.351 5 40 KKBB COCCn1c(C)cc(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccc([N+](=O)[O-])c2)CCC3)c1C 103083649 WBJWXDLDAXZFTQ-HAVVHWLPSA-N 553.615 6.124 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112237075 UHAKCYCJXWQREF-UHFFFAOYSA-N 570.343 5.097 5 40 KKBB COc1cc([C@@H](C)Oc2ccc(C(=C3CCCCC3)c3ccc(OCCN(C)C)cc3)cc2)c([N+](=O)[O-])cc1OC 205365424 LEWSIOIRJFVOOD-HSZRJFAPSA-N 560.691 7.458 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223726417 BCEBGWNSNMNXHE-MHZLTWQESA-N 659.205 5.793 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(Br)s3)cc2)cc1 224761499 OYYFXWYVFYUIDF-DHIUTWEWSA-N 569.531 7.142 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 260897819 HKSPAVQIGRUGEX-GDLZYMKVSA-N 627.163 5.103 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260970969 MLQGYLDGNGZPNO-YADHBBJMSA-N 661.177 5.101 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408567142 GOZQTCAILDLRTH-FQEVSTJZSA-N 526.343 5.835 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408571839 PRBNEPWODJBZAS-XMMPIXPASA-N 638.371 7.733 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(F)cc1 408577813 ZZTHBNWUVXTXQZ-RUZDIDTESA-N 617.497 6.574 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408677485 BYTOQKUTKYXFCA-FZDFQQAASA-N 547.542 5.184 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408679374 DVRCMXWGFVVILR-UHFFFAOYSA-N 584.155 5.970 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(Cl)cc1Cl 408681710 IJJDFWTYMDNKGS-UHFFFAOYSA-N 636.058 7.052 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408987446 OSZYCTWLPRUBJN-QUNTYYFUSA-N 787.483 6.218 5 40 KKBB O=C1N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 409072457 NOWHMOZLBOYIAI-KEBDBYFISA-N 607.642 6.450 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409108439 VVFOPLPCNLAWDL-RISWYLRJSA-N 652.154 5.090 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409143452 FHQLMVMVRROAFV-UPWSPCOFSA-N 724.659 5.816 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)N1CCc2ccccc2C1 409277113 ZECFDMLTUDKTMV-WSDLNYQXSA-N 523.954 5.129 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)o1 409388413 GEMGDXOBDULJPP-NVMNQCDNSA-N 533.312 5.233 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F 1307669 KFXBECWPPMHJFR-HKUYNNGSSA-N 563.945 7.211 5 40 KKBB CC(C)(c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1864492 AIGAJGQZLGJQDP-UHFFFAOYSA-N 560.475 7.230 5 40 KKBB O=C(/C=C/c1ccc(Br)o1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3258582 VFPLOPPFVCYNKB-OJLWIZQOSA-N 505.708 5.540 5 40 KKBB CC1=CC(C)(C)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 6461740 COXYLIASTLPICJ-UHFFFAOYSA-N 609.682 8.728 5 40 KKBB COc1ccc(-c2cc(C(=O)Nc3ccc(Oc4cc(Oc5ccc(F)cc5)cc([N+](=O)[O-])c4)cc3)c3ccccc3n2)cc1 8435179 TVCSWEKBADVFRY-UHFFFAOYSA-N 601.590 8.795 5 40 KKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cc([N+](=O)[O-])ccc4Cl)o2)N3)C1 8920356 LZYGAOYWDMSBJF-DMZKTXOQSA-N 500.020 7.540 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)c3ccccc3Br)CC2)ccc1[N+](=O)[O-])c1ccccc1 9601726 WWCPOUQWSPSWGQ-SFHVURJKSA-N 509.404 5.493 5 40 KKBB CCCc1ccc(C(=O)N(c2ccccc2)[C@H]2C[C@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 97940045 HXMKCUJHWXRGRT-FWUCURJTSA-N 533.628 7.374 5 40 KKBB COc1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc([N+](=O)[O-])cc2)CCC3)cc(OC)c1OC 103139152 CQDBQRPCIHXYKO-HMMYKYKNSA-N 583.597 5.841 5 40 KKBB COc1ccc(C(c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2O)c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2O)cc1 103762230 DDXCIAMTDNNUKT-UHFFFAOYSA-N 556.535 5.091 5 40 KKBB C[C@@H]1C[C@H](N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O 105513382 BPQHEHRVKPLBQY-RCRUUEGKSA-N 588.620 5.333 5 40 KKBB CCc1ccc(C(=O)N2c3ccccc3[C@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3)C[C@H]2C)cc1 105513416 YYXQXAHVKXATHR-ONOMSOESSA-N 610.135 8.852 5 40 KKBB C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C 150341098 CQIKWXUXPNUNDV-AXRVZGOCSA-N 871.220 13.964 5 40 KKBB in-vitro O=C(O[C@@H]1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 150361488 IJTANGJQVDVKFH-SCLDVKORSA-N 689.761 7.450 5 40 KKBB COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(F)c4)n3-c3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(OC)cc3)C2)cc1 150387776 YHKURWCHCTTZLY-HKBQPEDESA-N 695.733 5.732 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 163226328 XMGRPQHJSHHQCW-KEQCBNTKSA-N 638.496 5.046 5 40 KKBB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O 205670572 AKPZVWGNOQSTMF-CAOOACKPSA-N 575.315 5.768 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225406076 JPQUIAUHJSOZIG-JGCGQSQUSA-N 663.196 6.000 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225493932 LJLUTPYACFHFPJ-JGCGQSQUSA-N 646.741 5.486 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261095794 UYVICIWZIJMBPZ-UUWRZZSWSA-N 686.831 5.970 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)c1 408571621 PGLMNGNPTUAHJK-XMMPIXPASA-N 539.455 6.336 5 40 KKBB COc1cc(CNc2cccc(C(=O)O)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408607238 JGHSVBSEAUCHMW-UHFFFAOYSA-N 565.276 5.219 5 40 KKBB COc1cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408809880 SLHFWOGSHIAUFX-RHIXINEXSA-N 558.680 7.236 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408859033 VDHRDZXBQMHONE-ISZRBDKASA-N 657.745 5.471 5 40 KKBB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408879931 GCUZLTJZQZIOLL-NHDPSOOVSA-N 583.376 5.227 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408933843 AKLWLANILUSUQR-JLKMOJGBSA-N 643.718 5.081 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 409002095 SKQRMCHTFARNPO-CBYYHRJHSA-N 608.470 5.037 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c2=O)=N1 409037574 SWBQOEYGXFWYMM-ZGOFBEGVSA-N 664.534 5.057 5 40 KKBB COC(=O)COc1cccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)c1 409114848 JPTSSRWYTZASDV-PMERELPUSA-N 537.572 5.508 5 40 KKBB COc1cc(Br)c([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1OC 409120658 VDXYRWFFSCNUDU-GDLZYMKVSA-N 588.458 6.736 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409161458 XMNXWADIWZHVEM-AUEPDCJTSA-N 632.876 6.273 5 40 KKBB CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409175188 WZUAMRGCVWFDPJ-QFIPXVFZSA-N 669.879 5.173 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(Br)cc2CNc2ccccc2Cl)cc1 409178332 KXYUEHXRUUFSRM-UHFFFAOYSA-N 526.612 6.964 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 409194039 MRPLPEGXWPUXIM-LXYLXTGBSA-N 723.620 5.958 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409276431 RASZMPSLEHTDIV-DAIZXWHWSA-N 653.805 5.410 5 40 KKBB O=C(Nc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1)c1cccc(Br)c1 3085684 BMAHEPUTDMLJBF-UHFFFAOYSA-N 529.437 8.737 5 40 KKBB Ic1ccc2c(c1)N(c1ccccc1)c1cc(Nc3ccc4nc5ccc(I)cc5[n+](-c5ccccc5)c4c3)ccc1N2 8034800 DRLPKIYKZSQYRJ-UHFFFAOYSA-O 780.431 10.144 5 40 KKBB in-vitro C[C@@H]1N(C)c2cc(NC(=O)c3cccs3)c([P@@](=O)(Nc3ccc([N+](=O)[O-])cc3)N3CCOCC3)cc2C1(C)C 17595783 DPRUJUNHAFZBDE-DCDFMGFMSA-N 569.624 5.287 5 40 KKBB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 100375147 RLNRGTFOXXXOBC-UHFFFAOYSA-N 593.533 5.111 5 40 KKBB CCC[N+](CC)(CC)CCOc1cc2c(cc1Cl)-c1cc(Cl)c(OCC[N+](CC)(CC)CCC)cc1C2=O 102872254 YWZGGGSOVDIULP-UHFFFAOYSA-N 565.626 7.496 5 40 KKBB O=C(/C=C/c1ccc(Cl)cc1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 102969620 HCBIWLTWSUYYOV-XWUOYIKFSA-N 542.979 6.993 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105313517 MBTOEINDBPJWKO-UHFFFAOYSA-N 564.377 5.947 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(-c2cccc(Cl)c2Cl)o1 110366935 LZKXXKDCDYWGHS-UHFFFAOYSA-N 573.380 6.017 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)c1 138512248 YDYNACMSMMTQDK-UHFFFAOYSA-N 563.607 5.984 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 150368595 CGXFWZRDOOFBEM-HKXGNNSISA-N 733.391 5.509 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 163225711 XPKKMYVVRHQSQM-YXDQGSNCSA-N 658.914 5.391 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223640908 MRXQEFYLVSPNFT-XMMPIXPASA-N 514.409 5.220 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224472386 BTZIVXUVJYRPTB-HHHXNRCGSA-N 726.079 6.934 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224527587 XLCFWQDWXISACB-WJOKGBTCSA-N 697.641 6.652 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225172064 YVVPQFKCCANSQC-PMERELPUSA-N 671.216 6.017 5 40 KKBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225251245 CVYBQGCSVGDMFT-LJAQVGFWSA-N 513.638 5.535 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl 225256161 VGGPTIROIFOTRY-RRPNLBNLSA-N 594.049 5.674 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 225540525 XVTGHSUNVPZLOJ-UIOOFZCWSA-N 513.579 5.251 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260779741 ZYJOEGKEHAADLP-LJQANCHMSA-N 686.014 6.009 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408570259 KPHBGQAEIVQKHU-HSZRJFAPSA-N 658.789 7.996 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(C)cc1 408571147 NVMSJRQZOLAJEH-QFIPXVFZSA-N 509.400 6.625 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 408572997 SCKNUDRBJIDVMA-VWLOTQADSA-N 575.474 6.589 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408638710 DDULAOKSKPQNOZ-QKCPIRFBSA-N 720.991 6.588 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 408786599 SSQKEJYNACMXCV-CRCYZHLCSA-N 632.676 5.129 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408831835 VPEPWFJANGQTQN-KUSDHMTMSA-N 621.671 5.421 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC)cc1 408833007 SPUGGEPBBGLPSP-DDIUQFJASA-N 622.703 5.108 5 40 KKBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O 409021021 WYWGIMGPTSVVDM-MQMKENTISA-N 534.974 5.214 5 40 KKBB CC1(C)OC(=O)C([C@@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c2c[nH]c3ccccc23)C(=O)O1 409111240 BOVGYJRXTXRUJX-DEOSSOPVSA-N 534.952 5.893 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409181555 DCYVENVCPRIIFN-UHFFFAOYSA-N 534.502 5.485 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cc(Br)cc(Br)c1OC(=O)c1ccccc1 409193329 JHFLBULNGICYII-ODLFYWEKSA-N 572.165 5.684 5 40 KKBB CCOc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409392122 LGQJINHUKXZOMZ-CFRMEGHHSA-N 536.009 5.613 5 40 KKBB Clc1ccc2c(c1)[C@@H](Nc1cc3c4ccccc4ccc3c3ccccc13)c1cc(Cl)cc(Cl)c1-2 4983068 RGEXGINTPUOQGU-WJOKGBTCSA-N 510.851 10.288 5 40 KKBB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2-c2ccccc2)cc1[N+](=O)[O-] 6280870 UZBKLBUGKJOHOX-UHFFFAOYSA-N 524.400 5.644 5 40 KKBB Cc1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccc(I)cc3c2=O)cc1 8861341 BBWSFYSENALXJM-KPKJPENVSA-N 509.303 5.377 5 40 KKBB CCCOc1ccc([C@H]2CN3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC 70701341 BIENOZAXCPQCLM-IPBJYNAHSA-N 554.603 6.093 5 40 KKBB biogenic O=[N+]([O-])c1ccc(Oc2cc(Cl)c(S(=O)(=O)NOc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)c(Cl)c1 95682106 ORHGGQOFCTZKQD-UHFFFAOYSA-N 579.714 5.436 5 40 KKBB COc1ccc(Cn2cc(OC(=O)c3ccccc3)c3c2nc(-c2ccccc2)n2c4ccccc4nc32)cc1 97954915 ZERPWLLVIPBVEJ-UHFFFAOYSA-N 524.580 6.780 5 40 KKBB COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 102896312 LBNYTRPIGAZBEM-AWCRTANDSA-N 579.565 5.182 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 112229276 MITAIVJFWLJXTR-UHFFFAOYSA-N 545.621 5.490 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 163773044 FIMBLXHMIPYKRJ-WKIZKNSPSA-N 633.701 6.344 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205679415 DQDJMFJLCJLCEF-SRZZPIQSSA-N 638.721 7.589 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)o1 214709643 MMNMSOKUCSDJAU-KEBDBYFISA-N 505.335 6.407 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223327007 XQSRSIOWOVRHBY-ZORMNXRFSA-N 642.778 5.653 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224163178 HQPSDYBJHCZFAS-HKBQPEDESA-N 649.169 5.610 5 40 KKBB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CCCCC1 224770374 HJPIRZVKJZUMAE-CONSDPRKSA-N 583.783 8.242 5 40 KKBB COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224792451 JOWKYAVLOOVXFN-XZWHSSHBSA-N 607.717 6.895 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260952322 KBJLIHYRIHYFLU-LVXARBLLSA-N 679.623 6.136 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408640027 ABNIQBVAUDGCAM-MFTWVQLTSA-N 712.114 6.600 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408685932 QKKOOMBRCHTBHW-UHFFFAOYSA-N 573.603 6.715 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nnc(CCSCCc2nnc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)s2)s1 408729585 CNPLIZISOJIFOV-UHFFFAOYSA-N 616.667 5.012 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 408828833 MIKANVLTTKFREJ-SJXDCSIJSA-N 719.013 6.855 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n21 408951908 VEGXZRSFUADMTL-ORVZPOCUSA-N 652.523 5.435 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 408992706 BDUJVBFOAZHCPY-JOHYPREOSA-N 819.699 6.758 5 40 KKBB Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc([C@H]5N[C@H](C(=O)O)CS5)cc4[N+](=O)[O-])sc3c2)cc1 408994277 YXKPWVJOKUDKTN-MBSDFSHPSA-N 552.659 5.705 5 40 KKBB COc1ccc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409119715 UBCPPKVNYMJGJK-UHFFFAOYSA-N 557.934 5.418 5 40 KKBB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cc2)cc1 409174689 UCEMSQGFOSRFIN-UHFFFAOYSA-N 580.014 6.363 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 409184694 ZDGVDICGHUPNKW-YDZHTSKRSA-N 578.559 5.541 5 40 KKBB Cc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 409195714 VNMSJUZMPQRYFN-HFAHNTRXSA-N 533.334 5.629 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409372294 DDOABSUJYWAIEN-WYMPLXKRSA-N 615.586 7.015 5 40 KKBB O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1Cc1cccc(Cl)c1 585265424 KZRNUUIAKAJOMQ-UHFFFAOYSA-N 606.104 5.207 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2ccc(Cl)cc2)=Nc2ccccc21 1876720 YFEJKRRAHOWEOP-MUUNZHRXSA-N 560.017 7.538 5 40 KKBB O=c1n(Cc2ccc(Cl)cc2Cl)c2cc([N+](=O)[O-])c(S(=O)(=O)O)cc2n1Cc1ccc(Cl)cc1Cl 2188204 NMJOAAWKZAPGTQ-UHFFFAOYSA-N 577.229 5.668 5 40 KKBB CC(=O)Nc1ccc(Oc2cc(NC(=O)c3cc(I)cc(I)c3I)cc([N+](=O)[O-])c2)cc1 8427367 SSCVFWBLFRUMRB-UHFFFAOYSA-N 769.071 6.412 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 22837148 DKFBLNOAHJWJJC-UHFFFAOYSA-N 513.000 6.050 5 40 KKBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Br)cc1 97983791 WSTYHZRHYRANJR-BHGCBRFNSA-N 682.589 9.954 5 40 KKBB CC(C)(C)c1ccc2[nH]c3c(cc(NCCCN4CCc5ccccc5C4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 101755992 OECGSEBVYNKLIC-UHFFFAOYSA-N 557.694 7.099 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C1=C(N=2)/C(=C\c2ccc(Cl)cc2)CCC1 102916701 SPVJNZAKSVGKMB-MQEFOJMNSA-N 588.516 7.006 5 40 KKBB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 103091802 LFZLXYQOYUUXQS-UHFFFAOYSA-N 517.464 5.731 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3O)nc2c1 105310494 QCKLKOMRLWUCRL-UHFFFAOYSA-N 528.546 6.112 5 40 KKBB CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)[C@H]3C2=O)cc1 105790782 XSUMLPOZXOCJPB-OZNIXHKMSA-N 555.612 6.163 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106716584 WQOVMYHOGVYAAY-NHDPSOOVSA-N 546.388 6.724 5 40 KKBB CCCOc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OCC 106727039 LMYSWMOFIPJXPT-UNOMPAQXSA-N 521.389 5.781 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@H]32)c2ccc(OC)cc2)cc1 112254430 WZFUYFNPSXLFQQ-JQDNXDNNSA-N 538.556 5.044 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1cccc2ccccc12 163762438 WNVIYFZUTLUVMT-QPKMOXKASA-N 651.744 6.968 5 40 KKBB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1CCCN1CCOCC1 224769198 VOQRHDOGDAAWRS-ACHIHNKUSA-N 628.824 6.459 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc2ccccc12 408566732 GADSRSSVZJQJSP-LJAQVGFWSA-N 633.568 7.806 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(OC(=O)c2cccs2)cc1 408649158 KQKRSFATTQRFRR-JOCHJYFZSA-N 570.579 5.322 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)n32)cc1 408852198 DCWPJVXNPFAXTA-GSTVVXAASA-N 677.695 5.881 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1cccc(C)c1 408916480 CZUDAIYMBWPKME-ZVHZXABRSA-N 583.460 6.880 5 40 KKBB O=C(O)c1ccc(COc2ccc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2Br)cc1 408917626 YPCZWKCZNNJMAL-WSDLNYQXSA-N 569.389 5.871 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1 408925505 LLNJHWQXORNHGO-MDINZUHSSA-N 672.738 6.294 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1OC(C)C 408945641 XFHVAVXBEXTLMV-MIUGUJGPSA-N 644.662 5.194 5 40 KKBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O 409009743 HVORRNJTZKTIOE-PVGUKEHMSA-N 534.974 5.214 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409032427 IYGRNUOGHJLXLU-FJNIOPPGSA-N 674.688 5.203 5 40 KKBB Cc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 409188995 MIEMVOWNRWVPQZ-AGWINUGJSA-N 612.230 6.392 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409268221 ZUIDYHRYNXXBPJ-XYGWBWBKSA-N 619.633 5.199 5 40 KKBB CCc1ccc2oc(-c3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 8899263 ADOVYYHBZRGGSD-UHFFFAOYSA-N 506.946 5.708 5 40 KKBB CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@]2(S1)c1ccccc1C(CC)=NN2c1ccccc1 13659029 YYCAFJKPHLQRLU-AREMUKBSSA-N 501.568 5.469 5 40 KKBB O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59331429 FKJKKEUUIJLMSU-UHFFFAOYSA-N 517.567 5.226 5 40 KKBB Cc1ccc(Cn2nc(C)c(C=C(C(=O)Nc3ccccc3[N+](=O)[O-])C(=O)Nc3ccccc3[N+](=O)[O-])c2C)cc1 97981614 FUOYGUFNIHANOW-UHFFFAOYSA-N 554.563 5.334 5 40 KKBB COc1ccc(C(=O)N2c3ccccc3[C@H](N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)C[C@H]2C)cc1 100693814 UKNXJQNIZVYFFY-KNRUNJTGSA-N 547.611 6.830 5 40 KKBB O=[N+]([O-])c1cc(C(c2cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc([N+](=O)[O-])c1Cl 104255461 RGDMXXVGAYOTHC-UHFFFAOYSA-N 534.479 6.128 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl 105250881 FXCGVLGPLQLMAN-UHFFFAOYSA-N 589.701 7.107 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 108186429 HZAQTPGNBIBJBE-FUFNRSNVSA-N 571.655 5.398 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150395637 KTBXVDJNUBIGHQ-KMCFWPMWSA-N 651.697 5.429 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc3nc(NC(=S)NC(=O)c4ccc(OCC)c([N+](=O)[O-])c4)sc3c2)cc1[N+](=O)[O-] 150403427 GRYFNYVTAAXFOX-UHFFFAOYSA-N 669.723 5.164 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 163649157 DYPHDNFMAVESMA-SZYVSPPHSA-N 694.560 5.065 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c2=O)=N1 164186804 ZYKMPHRTJINMBU-KAEGSSFASA-N 674.688 5.204 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223501624 KPRUAWKCVHZGBI-VWLOTQADSA-N 570.509 5.367 5 40 KKBB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 224854715 SPFGFJDOHXCSCL-IZZNHLLZSA-N 532.578 5.453 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224909373 DQDAULTVARLFQH-OAQYLSRUSA-N 647.581 5.963 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 225084556 NRAVZGVOACBCHM-IOWSJCHKSA-N 591.649 6.444 5 40 KKBB CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C 299888680 SZCBXWMUOPQSOX-KVVMEMRJSA-N 600.884 8.970 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccccc1 408566797 GDRZGMJJWLQVQD-JOCHJYFZSA-N 533.412 6.711 5 40 KKBB O=C(Oc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Oc4ccc(Br)cc4)c3cc12 408720718 XOYUPNQMHLFXSX-UHFFFAOYSA-N 730.412 10.080 5 40 KKBB CCOc1cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408847382 VKDMAIYGEQHTOW-UDWIEESQSA-N 578.986 6.434 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4c5ccccc5cc5ccccc45)c(=O)n32)cc1OCC 408939641 TVIXYWJNQCQSKH-BLIVLRGHSA-N 564.663 5.122 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408988809 SIVJABQPOKUFAK-MXLMUYMQSA-N 903.920 7.285 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409039920 XPZAUDHBCNIAMD-JBDHCHCMSA-N 638.098 5.416 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccccc1Cl 409062110 NSCMKZZHWYTBOX-JAIQZWGSSA-N 624.694 7.593 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409098468 OXAIUYMGTTTZFT-ZCWBPALNSA-N 671.559 5.596 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl 409150688 DPRCUVLRJWVWGU-LGJNPRDNSA-N 708.067 7.700 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1ccc(Cl)cc1 409253045 YLBGSSDJLGECAR-UDWIEESQSA-N 575.746 5.529 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409270746 ABGGHPQTIWSSNE-JVWAILMASA-N 524.554 6.246 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(F)c4F)C3=O)o2)cc1[N+](=O)[O-] 409273581 KEASGIMKMNASJY-GIJQJNRQSA-N 517.441 5.256 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OCc3ccc(Br)cc3Br)C2=O)o1 409401972 URXGHAMNJBRPMD-NVMNQCDNSA-N 635.221 5.171 5 40 KKBB CCOc1ccccc1C(=O)NN1C(=O)c2cc(Br)ccc2N[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 2746793 RGSYOFCCZQPDOO-NRFANRHFSA-N 545.777 5.321 5 40 KKBB CCCCCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)n(-c2cccc([N+](=O)[O-])c2)c2nc3ccccc3nc12 3267766 LRGIPFVAGMYLNQ-ISLYRVAYSA-N 549.587 6.481 5 40 KKBB O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8900146 KQZUQBRVJCLPOF-UHFFFAOYSA-N 513.337 5.799 5 40 KKBB O=C(CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 9202124 YOGARKZCBROKLZ-UHFFFAOYSA-N 517.321 5.839 5 40 KKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 22832091 JHWYGXDQWZWNBS-UHFFFAOYSA-N 507.757 6.579 5 40 KKBB COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2-c2ccc(OC)cc2)cc1 59464339 BCQLGINSNIOFQU-UHFFFAOYSA-N 506.496 5.563 5 40 KKBB CC(C)(C)c1ccc(N(CCCN2C(=O)c3cccc4cccc(c34)C2=O)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 97983223 GOFNARBDUPKBAD-XMHGGMMESA-N 561.638 6.778 5 40 KKBB O=C(COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 100355990 FHGXJNOAUBXLBY-UHFFFAOYSA-N 616.029 8.357 5 40 KKBB CC(C)(C)c1ccc([C@H]2CC3=Nc4ccccc4N(C(=O)CCC(=O)O)[C@@H](c4cccc([N+](=O)[O-])c4)C3=C(O)C2)cc1 101761095 AYKRXZFQSULRAK-ICACTRECSA-N 567.642 7.307 5 40 KKBB C[C@H](NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@@H]2CC[C@@H]1C2 103053720 YWTZHPUSGYJAHZ-QCBUCWTNSA-N 570.893 5.147 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 103546797 WSGLHCKEQPBWEB-KCIBBDPESA-N 576.008 6.104 5 40 KKBB CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105306041 QLCHHYKFZZGUJM-UHFFFAOYSA-N 543.649 6.644 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 215214444 CWSCKXDVXXSMLN-ZVHZXABRSA-N 616.433 6.414 5 40 KKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 224650139 KMQBYRANHBZJND-URLMMPGGSA-N 534.597 7.219 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224860347 HCBMBBQKNVSTLY-MUUNZHRXSA-N 679.623 5.994 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261005412 QSVNZSYULRBQDS-UUWRZZSWSA-N 753.705 7.113 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O)N1CCCC1 408550003 CLGVHEVSCGUALS-YBFXNURJSA-N 536.393 5.139 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408565480 KZDXQLBCJWKYMY-SQOVJYTMSA-N 528.392 5.103 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 408577762 ZUFVFWHLFHQWNG-DEOSSOPVSA-N 529.449 6.880 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C 408577782 ZWHVVEINPZNDFY-RUZDIDTESA-N 543.476 7.188 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C1(Br)c3ccccc3C2(Br)c2ccccc21 408728814 UQAQSNHNHQRWFX-LMHXZZLNSA-N 633.090 5.767 5 40 KKBB O=c1/c(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408841826 HUZPALJUPFWYPC-DBHVVYFFSA-N 695.551 6.477 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(Cc5cccc6ccccc56)n4C)cc3s2)c([N+](=O)[O-])c1 408978934 AZIGPWPTURGFLB-UHFFFAOYSA-N 685.813 6.547 5 40 KKBB COc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccccc1Cl 409111694 DMQDBVFAQQQDMU-PGUFJCEWSA-N 699.001 8.960 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409190202 MOSJCLQNXZCRRI-ITNPZBTBSA-N 747.255 5.807 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccccc1Br 409342685 DUSYGGRJPFDPFB-SRZZPIQSSA-N 599.375 5.733 5 40 KKBB c1ccc(C[N+]2(Cc3ccccc3)CC[N+](Cc3ccccc3)(Cc3ccccc3)[C@H]3CCCC[C@@H]32)cc1 1646227 RRLMDROXBSLWAT-ZPGRZCPFSA-N 502.746 7.746 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 3769364 YJCADSSYTUMXBN-UUYOSTAYSA-N 543.370 6.312 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 6280050 TXJGUBOGSHVMTL-UHFFFAOYSA-N 504.528 5.098 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(OCc3ccc(Oc4ccc([N+](=O)[O-])cc4Cl)cc3)cc1)[C@H]1C=C[C@H]2C1 100390907 SLXHHNJUAYBDEO-JZWJADFXSA-N 516.937 5.931 5 40 KKBB Cc1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 103769898 OUBFWTGSNXOJRD-UHFFFAOYSA-N 548.823 7.404 5 40 KKBB COc1cc(CC(Cc2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c([N+](=O)[O-])c(OC)c1OC 150373924 GUDRPAPPNAPLGB-UHFFFAOYSA-N 666.677 5.010 5 40 KKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214778561 JAECWFARLFUFNZ-WSDLNYQXSA-N 515.374 6.717 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223338705 HCGHPQHZTXIVBT-HXUWFJFHSA-N 621.543 5.431 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223938555 LTLQFBDCHKYIMH-HXUWFJFHSA-N 526.417 5.013 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)cc1 408570709 LYSYMONXPVMZCI-DEOSSOPVSA-N 511.003 5.927 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl 408574436 UUXUSRKFODUGSE-VWLOTQADSA-N 617.953 7.388 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C/c3cc([N+](=O)[O-])ccc3N3CCCCCC3)C(=O)O)o2)c1 408634280 TVAUNIJSFLRMSC-HYARGMPZSA-N 526.571 5.260 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 408852720 VTAOISYBOXPBIO-WXKAHTKJSA-N 802.647 6.373 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n21 408952824 VYGZUFDVBOWLOA-ZSJKCPIUSA-N 638.496 5.126 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccccc5[N+](=O)[O-])C(=O)[C@H]34)c(=O)n2[C@@H]1c1cccc2ccccc12 409040410 IACXQXUIHUNIOW-AFHFHYJJSA-N 772.839 6.062 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1 409095895 BQWNBUFJUIGJGW-CJIXEESDSA-N 682.180 5.104 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccccc2Br)N1Cc1ccccc1 409147728 VRSDYEKDPQIBOA-HHHXNRCGSA-N 528.406 6.719 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409194055 MWBFBMPZTHHCDQ-NBQDTTAVSA-N 759.266 6.298 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409267815 WJWDLPSVPXTKNO-UFFVCSGVSA-N 641.502 6.897 5 40 KKBB O=C(Nc1ccc(Cl)cc1Cl)OCc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 8781537 HVFOQKXHAZLWNC-UHFFFAOYSA-N 506.392 7.411 5 40 KKBB CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1 9601666 FDZUMADPECTZDJ-DJVZTSSTSA-N 532.685 5.973 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)n2c(nc3ccccc32)N1 12462452 XBZFCUZMAJJKJC-HHHXNRCGSA-N 505.534 6.441 5 40 KKBB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1N1CCCCC1 12497130 LHMSIYKIKIXKID-UHFFFAOYSA-N 525.587 5.039 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 22822447 GCVMUPQAXVQQRV-SFHVURJKSA-N 500.555 6.005 5 40 KKBB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)c1C 51103578 LQZGYCOTOZGDFX-UHFFFAOYSA-N 546.527 6.049 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6cccc(C(F)(F)F)c6)o5)nc34)c12 98046159 IFMIQFRLMIHESR-UHFFFAOYSA-N 549.456 7.072 5 40 KKBB C[C@@H](CCc1ccccc1)Nc1cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] 100233234 JNCPFDQDRDNNBW-FQEVSTJZSA-N 573.513 5.301 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 100358986 HXYULFQIHZPWQT-WSDLNYQXSA-N 559.825 6.826 5 40 KKBB O=C(c1ccco1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 100883855 WCAMSUCLLGQXNT-VFJZKXQJSA-N 531.524 5.044 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1cc(Br)ccc1Cl 103629813 LYIYCDYHTNRNKV-MKFPQRGTSA-N 605.876 5.226 5 40 KKBB CC[N+](CC)(CCO[C@H]1Cc2cccc3cccc1c23)CC[N+](CC)(CC)CCO[C@H]1Cc2cccc3cccc1c23 104451687 IISJKVHXEUKMHD-ZPGRZCPFSA-N 566.830 7.634 5 40 KKBB Cc1c(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc2n1Cc1ccccc1F 106727081 JQRWJFDPGNXSNJ-QFEZKATASA-N 501.539 6.282 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(SC)cc1 150395573 LWLPWJZQAWOHQO-POKSHJSXSA-N 653.738 5.834 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 225231607 SNNSDIIANATLPI-FTJBHMTQSA-N 529.578 5.012 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl 225256084 VGGPTIROIFOTRY-SVBPBHIXSA-N 594.049 5.674 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225347562 GXEUYYXNRWONDC-XIFFEERXSA-N 642.778 5.655 5 40 KKBB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@@]4(C)[C@H]3CC[C@]12C 257349437 OCFIZNAHQQAOPE-NYRRLNDWSA-N 596.809 9.396 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260913567 KVDQLCMNQGEFDH-PGUFJCEWSA-N 802.177 8.156 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260990082 CLLXNUPSQKMFNE-OAQYLSRUSA-N 675.602 5.202 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 261015008 UEJDPCQSDBYGJU-GDLZYMKVSA-N 661.608 5.675 5 40 KKBB COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408559928 XDZPTCHBLCNPDQ-JOCHJYFZSA-N 603.800 7.609 5 40 KKBB CCOc1cc(/C=C(\Sc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408634186 RUQIBOOGSCZPRW-ROTLSHHCSA-N 578.603 5.593 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408941685 QDSROELHWRLTFK-NBQDTTAVSA-N 692.190 6.125 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c2=O)=N1 409039033 VYAVNLDMLXGIIK-KMBIYUNPSA-N 668.953 5.701 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 409090470 QUJVIRJPECSHAL-LRUGRNCASA-N 686.171 5.447 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1 409149956 WNCFCQXAAGIZKP-PSAPEEBNSA-N 679.780 5.410 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 409169404 QIUOFIOVEBDQSJ-WSDLNYQXSA-N 534.506 5.279 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409171139 ZIJMAAHTQDDZQR-FQEVSTJZSA-N 551.456 5.371 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409205729 JRWDRCROMHKGSD-NGZBARDMSA-N 640.452 5.555 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(OCC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O 409234282 KCGSCQDGKMTLLW-RGVLZGJSSA-N 521.389 5.781 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409258385 TUSPVPNITLGUFT-DHRITJCHSA-N 615.586 7.096 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(c1ccccc1)=NN2c1ccccc1 8427585 FBCJMHLREVBCDN-PMERELPUSA-N 549.612 6.108 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCSCc1ccc(Cl)cc1Cl 59884468 AUTOVORYWQEWQK-UHFFFAOYSA-N 554.477 5.147 5 40 KKBB O=C(O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)[C@H]3C2=O)cc1 97952130 ZPYUWLTTYHWHBP-DSNGMDLFSA-N 541.541 5.073 5 40 KKBB O=C(COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 100299416 JYKCQTMKLPTMOR-UHFFFAOYSA-N 518.869 6.135 5 40 KKBB CCCCC[C@@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC 102983937 QUHKMDJLJIBVDI-RABOXXBHSA-N 574.715 5.237 5 40 KKBB O=C1S/C(=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106740941 DTCLXDUZGFQIOW-NTFVMDSBSA-N 519.582 6.988 5 40 KKBB C[C@@H]1[C@@H](NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)CCC[C@H]1C 108874035 FZXVXSHYLHIXTC-VCBZYWHSSA-N 506.550 5.986 5 40 KKBB CC(C)(C)OC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NSc1ccccc1[N+](=O)[O-] 150383088 ZQGXUHFEYQBNHR-LQFQNGICSA-N 776.981 7.471 5 40 KKBB Cc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1Br 197746569 YYNLVZCYNOTWAS-JAYSWQADSA-N 558.457 5.298 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 198314353 NIDYPNUPZRYGHA-UHFFFAOYSA-N 676.729 5.400 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(I)cc4)C3=O)o2)c([N+](=O)[O-])c1 205754633 VNFCUYLXTKXITA-RGVLZGJSSA-N 562.341 5.705 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223379046 VXTLHZSZPMBNNC-MRXNPFEDSA-N 512.459 5.468 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3nc4ccccc4s3)cc2)cc1 224764777 KVXAXIWMIFBTMO-URLMMPGGSA-N 606.758 7.719 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1)S(C)(=O)=O 224833628 BEDKMZYHRDPSGG-UHFFFAOYSA-N 545.573 5.721 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225231526 HZCOBIDVYJJBDD-UMSFTDKQSA-N 654.789 5.879 5 40 KKBB CCCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1 408562272 ONXJASVPKUNBCO-GYHWCHFESA-N 504.406 5.609 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)c(Cl)c1)[C@@H]1CCCN12 408569653 WVAUIZVNECPLKQ-TUPPOGIXSA-N 507.949 5.113 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408645765 IFTJSISRVNYODY-NNMFVCILSA-N 606.418 5.741 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 408733120 DXSOOIPDXCZAMZ-BMPBIMJCSA-N 662.698 6.801 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408735842 YJKHCUXXINOBPC-IMUCPKNRSA-N 643.718 5.083 5 40 KKBB CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl 408842084 IKEYBCRUQRUQGJ-YBFXNURJSA-N 583.405 7.079 5 40 KKBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCSCc1c(Cl)cccc1Cl 409029072 VIXFFDIJAYBCGF-UHFFFAOYSA-N 554.477 5.147 5 40 KKBB CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)N(CC(=O)OC)C2=S)cc1 409059897 PCFJGYLMDBYEPO-OYKKKHCWSA-N 687.512 5.497 5 40 KKBB COc1cccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c1OCc1ccc(Cl)cc1 409088532 FZVQCSGCQYPOID-UQDCTOEPSA-N 634.110 5.336 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409091317 SPAZBELYUOQMQK-PLMBTIQCSA-N 708.587 5.455 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409164855 OSARANJWDQBLJQ-SRZZPIQSSA-N 584.950 5.632 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)n1 409179555 QEWZQXRHYDEEQY-CZFRINIUSA-N 645.580 6.460 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409184260 WNPSJNLDCUPWHK-MYKKPKGFSA-N 632.072 5.316 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)Nc1ccccc1Cl 409238407 ZOGWUMHBMRQFQP-SRZZPIQSSA-N 681.746 7.027 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1C 409270862 RQCFCQQGVUYXON-FSJBWODESA-N 571.533 6.698 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409271404 CKZGMLVGMLCTEC-YDZHTSKRSA-N 508.939 5.746 5 40 KKBB Cc1ccc(COc2c(Br)cc(/C=C/c3nc(O)nc(O)c3[N+](=O)[O-])cc2Br)cc1 409388036 JZIZEUNDYLYHTP-VOTSOKGWSA-N 537.164 5.379 5 40 KKBB COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc4c(=O)c5cccc(OC)c5[nH]c4c3)cc1)CC2 575409807 PWFIICARQQOYMH-UHFFFAOYSA-N 563.654 5.560 5 40 KKBB COc1ccc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1COc1ccc([N+](=O)[O-])cc1 1825575 YRPNPOOXXSDXSV-HKBQPEDESA-N 535.600 6.478 5 40 KKBB biogenic O=C(Oc1ccc(C2(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)OC(=O)c3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 4016351 CXDLDDRMJIOYIM-UHFFFAOYSA-N 616.538 6.404 5 40 KKBB CCOC(=O)C1=C(C)N=C2S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)[C@@H](O)N2[C@H]1c1ccc(Cl)cc1 6544943 GQXFPRLTTCKRAU-OVBLJXLHSA-N 586.453 6.818 5 40 KKBB Cc1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCN(C(=O)C(C)C)CC3)o2)c([N+](=O)[O-])c1 14291162 AAMFVNUJWBDLJC-UHFFFAOYSA-N 510.978 5.374 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F 33358561 MPRBNOGEPWPRBO-UNMCSNQZSA-N 604.010 7.700 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(I)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 59953625 XYKILRGRBPKPRK-UHFFFAOYSA-N 615.833 5.004 5 40 KKBB O=[N+]([O-])c1ccc(-c2cccc(Nc3nc4ccccc4nc3NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 100698864 QSTCOELRWPHPEF-UHFFFAOYSA-N 542.533 5.658 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1 101161894 DLONWDCUIAKNKI-JXMROGBWSA-N 531.322 6.472 5 40 KKBB COc1ccc(Cn2c(-c3ccccc3Cl)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1 102581342 XREUQCQYMZJZSA-UHFFFAOYSA-N 523.770 5.643 5 40 KKBB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 103106966 BNVHZAVLPXSDGF-UHFFFAOYSA-N 569.635 6.711 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1)Nc1ccccc1[N+](=O)[O-] 103754569 JBBQNZOHQFSYGU-UHFFFAOYSA-N 543.424 5.950 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2=O)=N1 104676656 JKSQNVBEHIEHAI-LAUBZIAYSA-N 585.682 5.870 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2=O)=N1 104676705 ZSMKUPFMKCWGKT-USDTVRPUSA-N 620.127 6.524 5 40 KKBB CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 112228990 BKAIGVOHKNDJNY-UHFFFAOYSA-N 545.621 5.237 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)/C=C/c5c6ccccc6cc6ccccc56)CC[C@]4(C)[C@H]3CC[C@@]21C 118916998 HWPKACQLFFCDBD-INCZKPRTSA-N 616.930 11.959 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 150363284 RVQKMMACMOUOJV-BQCQJZCVSA-N 692.662 5.273 5 40 KKBB COc1cc([C@@H]2c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3N=C3C(O)=Nc4ccccc4N32)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 150467727 WLGMOQQFYNHBCT-SSEXGKCCSA-N 695.670 6.323 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 162896469 CULXNQVVSQCDFE-QHCPKHFHSA-N 648.598 6.803 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 163228268 YBAUQKNOFFVEHG-AMQCUNCASA-N 680.580 6.577 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)c([N+](=O)[O-])c1 214395375 XLVPVVJCNOTGLW-KEBDBYFISA-N 505.335 6.407 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222888815 PEDWJMJYCZVUTJ-MHZLTWQESA-N 635.570 5.080 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224031278 PFGWYVLCXICFDX-YTTGMZPUSA-N 628.751 5.265 5 40 KKBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)cc1 224507418 UKZNWKTWYMUZCW-GOTSBHOMSA-N 520.412 5.720 5 40 KKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 224509859 SNWQPYFLDFOIPX-XZOQPEGZSA-N 521.396 6.189 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccnc3)cc2)cc1 224762155 SJPGECIBOJDVIU-NSOVKSMOSA-N 550.669 6.504 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225629123 QJBCMZADRQROAJ-HKBQPEDESA-N 665.168 5.147 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408564458 CZXSVYHGKARFFI-BQGAEBSMSA-N 598.881 5.745 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733399 IFFKZUNIRRRTSK-QJWUKVPRSA-N 644.887 5.088 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408735082 NRHNDJPKDAGILJ-PHEPMGQCSA-N 754.865 7.629 5 40 KKBB COc1cc(C(c2c(C)nn(-c3ccccc3)c2O)c2c(C)nn(-c3ccccc3)c2O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408988779 ROKOENIHHNMFQM-UHFFFAOYSA-N 631.645 6.402 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409048880 XPRIXQIEYPRXGG-CFPUELQSSA-N 796.649 5.007 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4cccc5ccccc45)cc3Br)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 409077135 CPUFVUVLLIBFEJ-XDYZZPCYSA-N 714.594 6.210 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(s/c(=C/c3cc(I)c(OCc4cccc5ccccc45)c(I)c3)c2=O)=N1 409078755 CVNQVHFQERNSMH-ZMTYCLHQSA-N 871.491 7.036 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 409095706 IHAXNIOJSXAMRC-YDZHTSKRSA-N 602.452 6.554 5 40 KKBB COCCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409244833 JHBBSFUVBQLTKN-XDHOZWIPSA-N 537.388 5.018 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCc2ccccc2C1 409382809 PAPVNSYYRVXXKS-CFRMEGHHSA-N 687.366 6.320 5 40 KKBB O=C(Oc1ccc2ccccc2c1Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 1859908 YAGNUTAMEQQRJK-UHFFFAOYSA-N 598.567 7.839 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1C(F)(F)F 2759314 QKAPHONWWKOYDS-UHFFFAOYSA-N 528.226 6.316 5 40 KKBB C[C@@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccc2c(c1)OCO2 3428464 KJECGRSMEHHLIR-CQSZACIVSA-N 548.495 5.355 5 40 KKBB NC(=O)C1CCN(C(=O)c2ccc3c(c2)nc(SCC(=O)c2ccc(Br)cc2)n2c4ccccc4nc32)CC1 4019735 FDEJZPLAUYVJNS-UHFFFAOYSA-N 602.514 5.111 5 40 KKBB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 8384027 HIEVCINZWJAEQO-RQZCQDPDSA-N 511.339 5.080 5 40 KKBB O=c1c(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)cc2cccc3c2n1CC3 79473648 FDVUWNSKTFJKTD-UHFFFAOYSA-N 506.562 6.175 5 40 KKBB O=C(NCc1ccc[n+](-c2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 97984601 OHBIUGGAPLLWGQ-UHFFFAOYSA-O 685.664 6.231 5 40 KKBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c2)N3)C1 102156484 SCTXPQQEQVFLMR-HSZRJFAPSA-N 583.579 5.699 5 40 KKBB C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] 103079816 MGXXJKCYRCFGDD-KETZHDHUSA-N 551.555 5.933 5 40 KKBB CCOc1c(I)cc(I)cc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 205702184 BGNBVDLVUXAALP-LZYBPNLTSA-N 636.205 5.439 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223339061 VBLDSIPJPBDCSF-RUZDIDTESA-N 679.623 6.136 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223629607 VCHKHBRKMLFJFO-GDLZYMKVSA-N 624.760 5.139 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224718314 WELLIZYDDGLACG-NRFANRHFSA-N 722.058 5.999 5 40 KKBB Cc1c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n(-c2ccccc2)c1C 224791578 ALHRLRWQQILXSN-ROJLCIKYSA-N 591.762 8.034 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 225562445 POSZAIZRDACMRC-VSGBNLITSA-N 541.633 5.814 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 408565251 BLIVSPJFJIXXGY-SANMLTNESA-N 597.535 7.043 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408603087 AQYRTQRUMJVROP-UHFFFAOYSA-N 512.187 6.864 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(Cl)cc1Cl 408640223 HQYNEAYTDKHMHS-UHFFFAOYSA-N 813.862 7.488 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)c(=O)n32)c1 408769032 LELONWLUVSUPLH-IVQFASICSA-N 663.668 5.491 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408833157 VWJOMQCMIAZSDW-IGSWSUAKSA-N 658.010 5.122 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5cccc([N+](=O)[O-])c5)c(Br)c4)c(=O)n32)cc1OCC 408937495 QUHVSILUJIAZNH-FVMAXLJRSA-N 729.005 5.719 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 409082761 NAUKDHBBMZWJJE-HRIDGTDGSA-N 627.078 5.704 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 409087832 ZXCXVQPWTGBKKR-HRIDGTDGSA-N 610.623 5.190 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 409103299 XVEXIWLFUBYYNT-LPYMAVHISA-N 507.524 5.237 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(F)cc1 409152209 JROGGEYCVNMYCA-VXLYETTFSA-N 501.879 5.322 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Br)cc1 409167020 GYMVDXQFFZFWQV-UUYOSTAYSA-N 647.301 6.374 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409181658 FSIBLAODFRLBET-AREMUKBSSA-N 501.516 5.209 5 40 KKBB O=C1S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1cccc(Cl)c1 409199793 DMDJNCWKFUDYQM-KEBDBYFISA-N 718.694 7.277 5 40 KKBB O=C1N/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 409235718 DFWGJAAWZWHDKM-UDWIEESQSA-N 528.746 5.687 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc(C)c1 409273858 MCCWHXWJKUWNGZ-QFEZKATASA-N 518.547 5.410 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409355555 DDDFFHLEJYBQRP-IVQFASICSA-N 606.704 5.326 5 40 KKBB C[C@H](c1ccccc1)N([C@H](C)c1ccccc1)p1oc2c(I)cc3ccccc3c2c2c(o1)c(I)cc1ccccc12 1857524065 HCGMZWIDTMZYFT-DNQXCXABSA-N 791.407 12.266 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 8451623 JTRFRJSSTALKDH-DWLKXISJSA-N 695.750 5.910 5 40 KKBB CCCn1nc2ccccc2c1[P@](=Nc1ccc([N+](=O)[O-])cc1)(Oc1cccc2cccnc12)C(C)(C)C 12559656 AXPJTRMOYFWMSL-LHEWISCISA-N 527.565 7.853 5 40 KKBB CC(C)Oc1cc(NC(=O)c2sccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)cc1Cl 12856513 XOXKQOUFFJWCTJ-UHFFFAOYSA-N 535.327 7.814 5 40 KKBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)NC(=S)N1 97981662 CTPGXZZVPNWSDZ-VWLOTQADSA-N 545.024 5.532 5 40 KKBB Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3cc(C(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1 97983131 AVSLOOWDONEKLE-SJARJILFSA-N 656.826 10.421 5 40 KKBB O=C(OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 100390491 JHKSQFKJHKCHGH-UHFFFAOYSA-N 527.920 7.115 5 40 KKBB Cc1ccc(C(=O)NCc2nnc(SCc3ccc(Br)cc3)n2-c2ccccc2)cc1[N+](=O)[O-] 100816746 KAROLJZBIRRTCQ-UHFFFAOYSA-N 538.427 5.469 5 40 KKBB Cc1cc(C)cc(-n2c(S[C@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c3ccccc3)nc3ccccc3c2=O)c1 103089465 DWLAPQWTQUBCFF-NDEPHWFRSA-N 550.640 6.691 5 40 KKBB O=C(c1ccccc1)[C@@H]1C[C@@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)c1c2c2ccccc2c2ccccc12 104183266 IFNGUSWXGUKLEO-WLGXKCQKSA-N 514.624 8.051 5 40 KKBB O=[N+]([O-])c1ccc(CC(c2ccc([N+](=O)[O-])cc2)(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1 104255568 QFJAMLYCDFRFHV-UHFFFAOYSA-N 514.450 5.897 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305797 WQBWHIHEROLTAG-UHFFFAOYSA-N 536.013 6.174 5 40 KKBB O=C(NC(=S)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 161944381 HMVQLJYKLHRBPI-UHFFFAOYSA-N 675.428 7.514 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222924993 KJKDGTGOSHUBLM-AREMUKBSSA-N 645.178 5.135 5 40 KKBB COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 222997527 XIKRCLIJICDFGW-XIFFEERXSA-N 658.777 5.211 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc(C(F)(F)F)c3)cc2)cc1 224781395 VDIMWWNZWHYOPU-VMPREFPWSA-N 617.678 8.128 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224944982 WYCYUINXMAYVKV-XIFFEERXSA-N 658.752 5.628 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl 225139451 DDEDKYPKLBWCQD-CLJLJLNGSA-N 561.067 6.206 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225406178 YWVYBCMCFUUSRS-JGCGQSQUSA-N 663.196 6.000 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NS(C)(=O)=O 225464424 RKPJSSSPIOGLKA-JWQCQUIFSA-N 549.634 5.107 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccs1)[C@@]21C(=O)Nc2ccccc21 229948361 KUEKYYDBCBGJPW-OAJQQGRKSA-N 561.619 5.903 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(Br)c2)n1-c1ccc(F)cc1 408566621 FTWBBFAWQJQBRG-MHZLTWQESA-N 593.478 7.320 5 40 KKBB Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cc3C=O)nnc2-c2cc(Br)ccc2O)c(C)c1 408609335 ZKFMFFUVYAQKCD-UHFFFAOYSA-N 525.384 5.891 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)O)n[nH]1 408631399 ILDBAWPUKROYPI-GRSHGNNSSA-N 577.800 6.282 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1C 408643131 OVHOEVVXNIBVKJ-UHFFFAOYSA-N 526.332 5.055 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729326 DPJDNTGZSNTUCG-LABHGBKVSA-N 720.587 6.861 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)c1 408769237 MCSNBBROFSBRQS-PKYOQBLNSA-N 627.078 5.704 5 40 KKBB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408780275 ALKZQWXODTYETM-KLKBWYFJSA-N 540.041 6.388 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)S2)cc1 408782085 VPXSYOHAJGZVRC-CBYYHRJHSA-N 540.439 6.098 5 40 KKBB O=c1/c(=C\c2cc(Br)cc(I)c2O)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408842957 KTZFSVVVFLFSGD-SEXPAEGTSA-N 686.325 5.300 5 40 KKBB O=C1c2ccccc2C(=O)N1CN(C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccccc1I 408845114 OMPAJGKVLCKVOT-UHFFFAOYSA-N 617.808 5.968 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408848488 ZHNUPKFPIQTWLA-ACHQHTMYSA-N 725.621 6.522 5 40 KKBB COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409060314 PRQHVSPLQQSPMS-ZDLGFXPLSA-N 507.362 5.390 5 40 KKBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n1C 409140962 HIBUTIYSKNMGRU-OAQYLSRUSA-N 630.550 5.467 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cccc2ccccc12 409145730 PLENWGKPNMAUCD-MRWVFDTMSA-N 684.568 6.201 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl 409157414 VJSKYOVJUSNOQU-QRVIBDJDSA-N 627.031 5.686 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409236730 GZRARHGMVVBOFL-ZMOGYAJESA-N 551.552 5.387 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409273941 AMRDEQJPYFTXFJ-DHRITJCHSA-N 598.033 5.910 5 40 KKBB Cc1c(C(=O)Nc2cc(Oc3ccc(Cl)cc3Cl)cc([N+](=O)[O-])c2)c(-c2ccccc2)nn1-c1ccccc1 2067231 XMZAGPQISPLFHF-UHFFFAOYSA-N 559.409 8.107 5 40 KKBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c(Br)c1 6195170 PZLVSJGVQVVOOK-UHFFFAOYSA-N 524.400 5.644 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-])c1ccccc1 8816337 MVIYGNOQZCHHLR-SFHVURJKSA-N 509.404 5.493 5 40 KKBB O=[N+]([O-])c1cccc(C2=CSC3=NC4=C(CCC/C4=C\c4ccc(F)cc4)[C@@H](c4ccc(F)cc4)N23)c1 9085825 ILHZLQNEHBIFME-SNZUYFENSA-N 513.569 7.853 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1c(-c2ccc(Cl)c([N+](=O)[O-])c2)cc2ccccn12 16035517 GYUYHHPUEUMPCU-UHFFFAOYSA-N 506.902 5.144 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OCc1ccccc1 98000290 SEYMZTBNRWSFSB-JBOQNHBVSA-N 565.582 5.624 5 40 KKBB COc1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c([N+](=O)[O-])c1 100947598 XSOHQUOXCXSZLF-SSEXGKCCSA-N 577.597 5.127 5 40 KKBB O=C(NC(=S)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 100957915 KWBGBPGIVIDWPE-UHFFFAOYSA-N 529.397 5.868 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 112252558 IUZHAWXOTWGGHL-MZJWZYIUSA-N 605.466 7.335 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3cc(Br)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 150443604 VCXVZBMCNCFKPC-FBHDLOMBSA-N 672.273 8.476 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccccc1Cl 214982354 GPPNRRXAGLWUEF-YDZHTSKRSA-N 650.878 7.067 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br 214985990 ZMUWQLVOYVAMBZ-DHRITJCHSA-N 626.485 6.237 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223286185 KNRMJZBVRIJFFM-MRXNPFEDSA-N 512.459 5.468 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223394423 APXMWRPEKZANLC-JADSYQMUSA-N 686.831 5.970 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223587975 UZEVVNSKPRJPED-IBVKSMDESA-N 554.043 5.190 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223883061 UDNHVUZHBPBTDG-LYZGTLIUSA-N 649.597 5.531 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl 224072748 FCELKBISWMBBES-SXOMAYOGSA-N 581.050 6.114 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c(Cl)c2)o1 224146542 HHDGKRXRCXNLAO-YDSFOJDISA-N 618.159 7.571 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(Cl)s3)cc2)cc1 224761210 NLPICLHTDTZWOA-PKTZIBPZSA-N 525.080 7.033 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225067376 RIWGQGQKRGMFLP-HKBQPEDESA-N 683.614 6.262 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 225285164 JGPCNBNOAVDCFH-KAYWLYCHSA-N 543.605 5.320 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225384703 BKWPMPMEYXGBPA-MGBGTMOVSA-N 741.694 6.970 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261058023 NFGFCAJHTXUBNH-YJNPBZNESA-N 721.276 6.624 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN12 408568140 SCBHTRMFYAZXOZ-UQBYDPJISA-N 603.300 6.389 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408568602 ICAGWOBFPGXCLA-DMDPESAISA-N 542.419 5.539 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408575037 VQNMKDHLYJGEJM-NNZXVUDSSA-N 607.288 5.912 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)cc2)CC1=O 408657594 INTPYFSFTUTUBS-LLVKDONJSA-N 639.231 5.976 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(Cl)cc1Cl 408678809 DDRSJPBLJYQCMB-AGTZKDDFSA-N 626.452 6.034 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5ccc6ccccc6c5C4=C[C@@H](c4ccc5c(c4)OCO5)[C@H]3C2=O)c([N+](=O)[O-])c1 408730432 GFJRNTKYEOJQSL-SBGIBTQXSA-N 590.544 5.007 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 408922414 DVQYYEDKKNGFCO-SAYDEVMMSA-N 681.818 7.217 5 40 KKBB Cc1cc(Br)c(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccccc2O)C3=O)cc1C 408993782 FSWXQKHFEXJFBA-UHFFFAOYSA-N 532.350 6.377 5 40 KKBB CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)N(C)C2=S)cc1 409034387 QMJYJXANLKXSMD-UCQKPKSFSA-N 647.345 6.702 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccc(C)cc3)c3ccc(C)cc3)[C@H]2C1=O 409039243 CBPYPSKATHJMJJ-BYSIJJKSSA-N 506.558 5.644 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409101075 PJHXRFCGNKDQFY-KMBIYUNPSA-N 611.507 5.579 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409173544 JPLLJCQIAVWGKQ-SSDVNMTOSA-N 591.495 6.229 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n21 409270538 HDZROWBZXDRQTN-UPWSPCOFSA-N 669.598 5.102 5 40 KKBB CCOC(=O)c1c(CSc2ccc([N+](=O)[O-])cc2)n(C)c2cc(Br)c(OC(C)=O)cc12 855610 OOKXMRDMKDUAEA-UHFFFAOYSA-N 507.362 5.243 5 40 KKBB Cc1cccc(N2C(=O)c3cc(I)ccc3N[C@@H]2c2ccc([N+](=O)[O-])c(Cl)c2)c1 2744846 RCBYWXHBXCIFID-FQEVSTJZSA-N 519.726 5.932 5 40 KKBB O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1)c1ccc([N+](=O)[O-])cc1 3143333 ACZQBUISXCTDTR-UHFFFAOYSA-N 523.461 5.816 5 40 KKBB CC(C)C(=O)Nc1sc2c(c1C(=O)O[C@H](C)C(=O)Nc1nc(-c3cccc([N+](=O)[O-])c3)cs1)CCC2 3324857 CMHVBHRWLCTVCP-CYBMUJFWSA-N 528.612 5.047 5 40 KKBB O=[N+]([O-])c1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccccc6)c(-c6ccc([N+](=O)[O-])cc6)nc5c4)cc3nc2-c2ccccc2)cc1 8397129 FCKGELUWGJUHGH-UHFFFAOYSA-N 666.697 9.648 5 40 KKBB CCC1=NN(c2ccccc2)[C@]2(SC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)c2ccccc21 13648056 JMGJZHQSMADYME-GDLZYMKVSA-N 505.603 6.955 5 40 KKBB Cc1cc(C)c2oc(-c3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3Cl)nc2c1 16268716 FXOINMSAZJVLBP-UHFFFAOYSA-N 506.946 5.762 5 40 KKBB CCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 33715528 QZPXFQYUDPGYPN-UHFFFAOYSA-N 512.551 5.278 5 40 KKBB CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 97948267 RCFIKWZALXLRCX-UHFFFAOYSA-N 560.467 5.772 5 40 KKBB CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1OCC 97952058 CQASUEWVQMEZMY-JOCHJYFZSA-N 538.597 5.765 5 40 KKBB O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCNc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)c(Cl)c1 97995807 XMMUCJLXQIXUTD-FQEVSTJZSA-N 593.880 5.393 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OC(C)C 100330477 RFVJASLEUCXAFU-YBFXNURJSA-N 521.389 5.780 5 40 KKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCCCC2)ccc1OCC(=O)O 101407720 CGPROIVWDMJMFC-UHFFFAOYSA-N 531.565 6.166 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 102191079 WKIVEZKDGCBOBQ-HREFQMLDSA-N 597.671 6.649 5 40 KKBB O=[N+]([O-])c1cccc(C2=CSC3=NC4=C(CCC/C4=C/c4ccc(OC(F)F)cc4)[C@H](c4ccc(OC(F)F)cc4)N23)c1 102424334 YIUGADJIEZPSNK-OTECNADQSA-N 609.601 8.777 5 40 KKBB CCN1C(=O)N(c2ccccc2)[P@](=Nc2cc(Br)cc([N+](=O)[O-])c2)(N(CC)CC)c2cc3c(cc21)OCCO3 102940589 AIDXOLKLNJGFDB-LDLOPFEMSA-N 614.437 6.925 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6OC)o5)c(=O)n42)c2ccccc2CC3)cc1OC 104658071 KESXTPKWAOHIHT-DXUGRCAZSA-N 621.671 5.513 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(C)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 169616969 CENOFRZMXFMADN-UWFUZCTESA-N 676.725 7.109 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214084428 MYVLVHLQUMQEAE-SRZZPIQSSA-N 541.925 6.194 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 214965978 TYXBFUNFHFKYPS-RGVLZGJSSA-N 542.367 5.790 5 40 KKBB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1C 224784209 LFCLGRZZYKMLPQ-FIRIVFDPSA-N 577.735 7.726 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224890342 QQQHFSMYFIPNDL-NRFANRHFSA-N 726.079 6.934 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1Br 224946719 LZDZFPGZPIRBQN-DNQXCXABSA-N 535.423 6.498 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1OC 225195737 FJSCNEMLICZJLQ-KAYWLYCHSA-N 542.621 5.315 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261097015 VECAAXYMFHXMLG-NYFMKLKXSA-N 658.777 5.354 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C)cc1 408605936 HODHFYXDBLSXEC-UHFFFAOYSA-N 504.324 5.708 5 40 KKBB CCn1c(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408631410 DTQBEMOUTDUTEN-BUVRLJJBSA-N 564.645 6.259 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408824271 GMUQXCISHVHVHY-ORVZPOCUSA-N 756.531 5.329 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccc(F)cc1 409021053 XIBZYOMJSXOZBE-CIAFOILYSA-N 526.318 5.168 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c2=O)=N1 409035845 KMPBNTUNQHZFLY-LCQSEVKBSA-N 666.550 5.826 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409045504 PSWUBRRPCOGGKN-FLGOMVIPSA-N 810.676 5.397 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 409090651 MVZCRSHLRVQYPX-KEQCBNTKSA-N 807.404 5.495 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)o1 409158131 WOSPVDFFMXBWSX-CIAFOILYSA-N 507.524 5.155 5 40 KKBB Cc1ccccc1OCC(=O)Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409179624 QTTUHMOCMYRMPI-LJAQVGFWSA-N 524.529 5.702 5 40 KKBB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2)cs1 409183708 SFEGAFSGDBHXPE-SANMLTNESA-N 515.547 5.604 5 40 KKBB Cc1cccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 409194626 PVWIMTKTDKWCNT-JEUHMODBSA-N 612.230 6.392 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 409252676 UOKKGYPCPNGHQL-UUYOSTAYSA-N 659.414 5.102 5 40 KKBB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409263690 NRYWCVLHADISLB-JJFYIABZSA-N 676.401 5.584 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1Cl 409270607 HRBVGXUIGUZTCY-ZVHZXABRSA-N 502.979 6.330 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3Br)C2=O)o1 409400326 ONKSGRBXILVCAJ-MFOYZWKCSA-N 665.247 5.180 5 40 KKBB Cc1ccc([C@@H]2C3=C(O)C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)O)cc1 1310603 CZXAPBBBPMLVRH-URAOTHONSA-N 525.561 6.318 5 40 KKBB O=C(Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)c1ccc(C(=O)Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)cc1 1702752 YSYMPDMBWXEIGQ-UHFFFAOYSA-N 542.348 6.045 5 40 KKBB Cc1cccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4cccc(C)c4)cc3[N+](=O)[O-])c([N+](=O)[O-])c2)c1 2766176 MZGUZRYKWIYFCK-UHFFFAOYSA-N 524.533 6.215 5 40 KKBB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 8898386 ROGWERCUHDTHOT-UHFFFAOYSA-N 516.067 5.602 5 40 KKBB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)sc2c1 35176459 WSZMKBURMBPUCJ-UHFFFAOYSA-N 514.588 6.567 5 40 KKBB Cc1c(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)oc12 97984067 YPRNSANPXQXHOA-UHFFFAOYSA-N 575.364 5.856 5 40 KKBB O=[N+]([O-])c1ccc(CSc2nc(SCc3ccc([N+](=O)[O-])cc3)nc(SCc3ccc([N+](=O)[O-])cc3)n2)cc1 100285464 HUGPGLFDUPKSRH-UHFFFAOYSA-N 582.645 6.473 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 100396160 JIYDYMUJLWNIJV-OUIXTEOLSA-N 575.577 5.385 5 40 KKBB Cc1ccc2oc3cc(NCCN4CCN(c5cccc(C(F)(F)F)c5)CC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 102451463 BBAIQUOUCNFOFL-UHFFFAOYSA-N 598.625 6.502 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)c5ccccc5F)CC4)cc3)cc2[N+](=O)[O-])CC1 105221944 RAMGFMNYPIDDLE-UHFFFAOYSA-N 545.615 5.185 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 105322280 XNBJBFLZUVNYAQ-XBXARRHUSA-N 531.421 5.577 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 150413397 BLYWYGTWAZMLQZ-JVWAILMASA-N 666.493 7.567 5 40 KKBB O=C(Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 150483943 IQMINXWVVKURDS-VBSNSAIWSA-N 718.529 6.033 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 163691847 ZLIBGNIBQGCLRX-PRLWALMFSA-N 664.534 5.057 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 215917188 RTNBNZLZNINLFT-LJQANCHMSA-N 546.045 5.255 5 40 KKBB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 224857483 DEWLQMBFMIWRGV-DQEYMECFSA-N 502.552 5.444 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 260915964 ZHAVCYBBYWLOQX-JGCGQSQUSA-N 628.751 5.263 5 40 KKBB CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1 408563762 XCKLUSMPGDGDND-LNVKXUELSA-N 519.377 5.509 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1ccc(Cl)cc1 408564788 AGMJQWYQYJXBDS-QHCPKHFHSA-N 577.863 6.820 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Br)cc1 408566053 DRTRVVGUAMOFER-FQEVSTJZSA-N 560.242 6.689 5 40 KKBB Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1C 408645893 NGVLVBCVVZCPKI-UHFFFAOYSA-N 519.554 5.603 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408648638 JYWHRJPDNXZACS-NNMFVCILSA-N 606.418 5.741 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 408720730 XSIMOFASIGRPNO-MPCVTRCCSA-N 520.585 6.009 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733217 GJPXUSCZKQJEFO-YVLHRROSSA-N 817.783 5.535 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408734572 YIYBVAIPNJZKMK-PLQXQRLBSA-N 608.470 5.037 5 40 KKBB Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)c2c1 408788701 GCOBSFQMTNPASE-LVNODGKISA-N 608.723 6.992 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408827283 GMCYGRXAZBEHEJ-PRLWALMFSA-N 681.092 6.214 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408946936 ZPNQDWZFPOOOFM-FCVOFCDTSA-N 761.478 7.142 5 40 KKBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409008855 NBUMELPLYVUQQY-NNLQFVHNSA-N 569.817 5.578 5 40 KKBB O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(F)cc1 409009588 GNNXJBJYONIQIF-SRZZPIQSSA-N 560.763 5.822 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]32)c2ccc(OC)cc2)cc1 409084804 MYUIVGSPWDLBDP-NFFAYCCRSA-N 508.530 5.036 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409134342 NXARSQJTQYNUMX-UHFFFAOYSA-N 568.833 5.162 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O)Nc1ccccc1Cl 409222007 AULZLXDVQBAXDA-FBCYGCLPSA-N 552.779 6.490 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 409336832 WKHMXINTAXMXII-UPWSPCOFSA-N 650.496 6.533 5 40 KKBB C1=Cc2ccccc2N(p2oc3ccc4c(c3c3c5c(ccc3o2)CCCC5)CCCC4)c2ccccc21 1988182076 LBZVTGZVTFTRNY-UHFFFAOYSA-N 515.593 10.133 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1NCc1ccc(Cl)cc1 8385451 INSVBOJWGHQHMC-UHFFFAOYSA-N 537.041 5.524 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 8431019 KPPIIXFLSYDBGY-QFEZKATASA-N 620.399 6.675 5 40 KKBB O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 9416433 CGIWRRUNSXXASV-UHFFFAOYSA-N 505.943 5.159 5 40 KKBB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 57315977 HJYIWPXHGMVGRF-FMIVXFBMSA-N 508.962 5.219 5 40 KKBB Cc1ccc(-c2nc(NC(=O)c3cccc(Br)c3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 59463643 WLDMKVXXHUKLJC-UHFFFAOYSA-N 508.397 7.017 5 40 KKBB C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)c1ccc([N+](=O)[O-])cc1 72130349 FCFUVXURJQGSIU-SGFBLBLDSA-N 511.618 7.256 5 40 KKBB in-vitro O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 100301252 IBLIGCQLZXBMKJ-UHFFFAOYSA-N 518.885 5.227 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=C(O)C1 102643654 WRPCOLHQYDGRIH-YTTGMZPUSA-N 547.611 7.890 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 208359123 OJUFJERXUAYBJS-DTDQMKFYSA-N 635.698 5.447 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 214151151 SJBWHSUVDSBTPF-OEAKJJBVSA-N 569.433 6.572 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222531266 FGOVWSLCYFRYCN-RUZDIDTESA-N 665.596 5.746 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223579628 SKANTJMPMRBRTE-LJQANCHMSA-N 526.417 5.011 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224388266 JNBUCTZRDZJUGX-MHZLTWQESA-N 675.179 5.766 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224567335 XODKCNOVVBXUEK-SANMLTNESA-N 635.570 5.222 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224765224 AUDBIUFGNFYVEE-JOCHJYFZSA-N 613.136 5.310 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225568592 VZROMDPXRREHRA-PWUYWRBVSA-N 624.760 5.138 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 247335642 QOTPHVVLIPXXEX-LUIYPFIDSA-N 610.453 6.883 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261007104 RGOMHXVQHXEWAY-PGUFJCEWSA-N 733.287 6.768 5 40 KKBB CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC 408564909 ASIMTMRPWBKAQV-HXUWFJFHSA-N 507.410 5.164 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 408571017 MTVUCKWOKQQSSS-RUZDIDTESA-N 543.020 6.456 5 40 KKBB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408604827 FIUJLSLWBILRDI-UHFFFAOYSA-N 556.759 6.582 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408680014 FUWJPYZKXGLZEF-QYVZARNFSA-N 529.552 5.044 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1)Nc1ccc(Cl)cc1 408750565 OUPLYMGODCDSHY-UHFFFAOYSA-N 524.967 5.389 5 40 KKBB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)S1 408810232 ILLJWHFEJBHUDF-UHFFFAOYSA-N 526.978 5.607 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1ccccc1 408990279 KEVMBMYWAQTITH-WNOSOOIWSA-N 604.691 5.060 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409169071 ONKPRKJGLXUYGA-ZVHZXABRSA-N 642.484 6.019 5 40 KKBB COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1 409181819 FSIBRVFDZQSJQI-UHFFFAOYSA-N 577.760 5.712 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC 409192535 CIIBGRWIFNFXRZ-VPHSIRQSSA-N 750.690 6.264 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1cccc(F)c1 409243870 VPNNNVAOTVZBSP-SSDVNMTOSA-N 586.395 5.750 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1 409244631 GNVFGLWKKIGHQB-RGVLZGJSSA-N 513.915 5.192 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409273187 IWLZLUIUWKFXDB-JJFYIABZSA-N 541.925 6.588 5 40 KKBB COc1cc(C(c2c(-c3ccc(C)cc3)n[nH]c2O)c2c(-c3ccc(C)cc3)n[nH]c2O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409368408 UJBBDBYOKKEOAL-UHFFFAOYSA-N 743.558 7.775 5 40 KKBB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccccc5)cc([N+](=O)[O-])c4)c(Cl)c3N2)cc1 1818947 SEDJFKVBFJEBFV-YADHBBJMSA-N 587.942 7.158 5 40 KKBB COc1ccc(C(=O)[C@H](OC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)cc1 1839709 UXPRFHAXGYGHNE-HHHXNRCGSA-N 544.541 6.444 5 40 KKBB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2ccc3c(oc(=O)c4ccccc43)c2C)cc1 2092950 VTNYARNCVYXAQF-SANMLTNESA-N 527.598 5.058 5 40 KKBB biogenic O=[N+]([O-])c1cnn(Cn2nc(-c3ccc(Br)cc3)cc2-c2ccc(Br)cc2)c1 2733371 GJQURVGICRWJEJ-UHFFFAOYSA-N 503.154 5.353 5 40 KKBB CC[N+](CC)(CCCOc1ccc(OCCC[N+](CC)(CC)Cc2ccc([N+](=O)[O-])cc2)cc1)Cc1ccc([N+](=O)[O-])cc1 4683914 GRDPRGZHUAPGQV-UHFFFAOYSA-N 608.780 7.154 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 22828152 BHMGYPDPGJBFOU-INIZCTEOSA-N 504.568 5.809 5 40 KKBB c1ccc(-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c5ccccc45)c4ccccc34)cc2)cc1 34633350 KIQHGZHPNCGQJY-UHFFFAOYSA-N 658.844 14.634 5 40 KKBB O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59331428 FJGNNYZUCLKONH-UHFFFAOYSA-N 517.636 5.989 5 40 KKBB Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c([N+](=O)[O-])c1 100947417 VTKILNNXQMIYPK-PMERELPUSA-N 561.598 5.426 5 40 KKBB COc1cc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2cccc(C)c2)CCC4)c(C)cc1[N+](=O)[O-] 103079408 QDKTVCWRXMZTHL-UHFFFAOYSA-N 536.635 5.200 5 40 KKBB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(SC(F)F)cc2)c([N+](=O)[O-])c1 103086870 ISVVEPHBMKBCQO-UHFFFAOYSA-N 528.566 5.591 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5ccc(Br)cc5)nc4c3)cc2[N+](=O)[O-])CC1 105302619 AEOUFLNUCUVTEV-UHFFFAOYSA-N 535.398 6.654 5 40 KKBB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3O)nc2c1 105311041 KBADPCURQBWOOL-UHFFFAOYSA-N 528.546 6.058 5 40 KKBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(I)cc1 106737952 YHRNRZQRFXEOQC-NVNXTCNLSA-N 545.152 5.198 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 111461328 MMAZFWMGCAKSQO-MFCBUNOESA-N 624.071 5.027 5 40 KKBB O=C(c1ccccc1)c1ccccc1-n1c(=O)c2ccc3c(=O)n(-c4ccccc4C(=O)c4ccccc4)c(=O)c4ccc(c1=O)c2c34 150384225 XYMRUMOVCIHKJZ-UHFFFAOYSA-N 626.624 5.506 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222658430 PCTCESNUUKWUBF-OAQYLSRUSA-N 512.459 5.467 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224285355 NXMYTWBYVYMNEN-QHCPKHFHSA-N 504.052 5.348 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3C[C@@H]3CCCO3)cc2)cc1 224768270 VRPBBOVLQJBATP-FAQZDJIUSA-N 557.701 6.299 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225220698 KEACDCJUOGQUIK-QFIPXVFZSA-N 506.430 5.700 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225355190 SBOQYLSJGORRNM-PGUFJCEWSA-N 686.831 5.972 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)o1 225695632 LHGAYLZBDNTWFV-NSOVKSMOSA-N 557.632 5.568 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225718762 FMBLNLQSFHXCNH-QRWLVFNGSA-N 526.417 5.011 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260771600 WLRHQYUWDSUVKD-LJQANCHMSA-N 686.014 6.009 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260894833 SBHFPDJWYMANAM-MGBGTMOVSA-N 658.777 5.272 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 261039542 KGVLEDDVDANZSF-KMRXNPHXSA-N 649.597 5.531 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(Cl)c1 408565306 BQMLICDWAVZVAO-HSZRJFAPSA-N 624.344 7.343 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1ccc(Cl)cc1 408570983 MNMLFAZNWDFMSF-HSZRJFAPSA-N 577.863 6.820 5 40 KKBB O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccccc2)cs1)C(c1ccccc1)c1ccccc1 408736498 CADPWVDYVCQBAU-HHHXNRCGSA-N 562.651 6.216 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408956140 YUGXJGOLJDDKEE-IZBTWGKQSA-N 644.887 5.001 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1 409097935 HTXJAYNGZKSIRY-ZDZYTSRMSA-N 682.180 5.104 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)N1Cc1ccccc1 409116004 LDLMSHBBZZHKMX-UMSFTDKQSA-N 555.634 7.535 5 40 KKBB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)c1 409179384 MQDKJJKABWTFHV-UHFFFAOYSA-N 522.513 6.162 5 40 KKBB O=C(CSCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1)Nc1ccccc1 409336161 MSQKDFPAWVRUGG-UHFFFAOYSA-N 567.674 5.246 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3cccs3)N4)cc([N+](=O)[O-])c2)cc1 1838690 NMLODEOFSUUBKS-NZQKXSOJSA-N 573.553 6.956 5 40 KKBB Brc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccc(Br)cc2)cc1 2345510 PEYVEXZCNIMVOZ-UHFFFAOYSA-N 517.224 7.623 5 40 KKBB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1 3368005 HVFHHQYGBXYBJX-LJQANCHMSA-N 523.945 7.349 5 40 KKBB C[C@@H](Nc1cc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)ccc1[N+](=O)[O-])c1ccccc1 8916681 SNLWAWBBHVMWOO-YRVHBARZSA-N 525.436 6.437 5 40 KKBB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1 14275569 GVRJWYPDBZCQRH-UHFFFAOYSA-N 512.547 6.407 5 40 KKBB Cn1cnnc1Sc1ccc([C@H]2NC[C@@H](c3ccc(Cl)cc3Cl)c3c2[nH]c2ccccc32)cc1[N+](=O)[O-] 53356861 AVDHCTSNRUJZTD-MHECFPHRSA-N 551.459 6.487 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]3c2ccc(OCC)cc2)cc1 97971237 AKSZYOCCHXPUBR-SFMDNYBESA-N 570.602 6.737 5 40 KKBB CC(C)c1ccc(-n2c(O)c(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)c3c2nc(-c2cccc(S(=O)(=O)N(C)C)c2)[n+]2c4ccccc4sc32)cc1 97982672 PZVFMHJASXQUBC-UHFFFAOYSA-O 754.936 6.207 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1 100023728 FKCHOPIVTJJRHB-KGVSQERTSA-N 529.721 5.722 5 40 KKBB O=c1/c(=C/c2c3ccccc3cc3ccccc23)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 104656387 PPUXUQABOCTBNS-ACHQHTMYSA-N 599.553 7.388 5 40 KKBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1 104911584 PPJGUQNQLLMMPN-UHFFFAOYSA-N 556.875 5.288 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 105308035 RMKFRRHPBCOBNO-UHFFFAOYSA-N 529.622 6.253 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106743150 ASLQTYAVKHKPOY-FBHDLOMBSA-N 601.347 6.203 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1 150401190 VCXCNKUOPHKTTE-UHAPOFRNSA-N 680.580 6.577 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 215137343 MNMKDOKNGQESPC-ZVBGSRNCSA-N 559.915 6.333 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223658271 VDYNNZKVIIFVIS-JGCGQSQUSA-N 713.640 6.190 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223834104 ZUHNQRBHMAWLCY-AREMUKBSSA-N 714.068 6.791 5 40 KKBB COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224766619 ZFKAXKTZIKPUMH-KYJUHHDHSA-N 579.707 7.117 5 40 KKBB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1CCCN1CCOCC1 224769111 VOQRHDOGDAAWRS-ZWXJPIIXSA-N 628.824 6.459 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224879986 GEXOSRNUVLKITK-WJOKGBTCSA-N 649.169 5.608 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1F 225619451 XYNDXCBERBNLQN-FTJBHMTQSA-N 531.569 5.390 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261090221 TUUDPDNFZQTYEN-NYFMKLKXSA-N 658.777 5.354 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)C(=O)O)o2)c1 408634742 XEHXIQGWRDZWHF-ZBKNUEDVSA-N 564.359 6.447 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408647836 VSWWVMDOKFBHSF-DVKBMCPXSA-N 576.005 5.702 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408770497 YEWKDLDWOOCTQI-BUDNTJSZSA-N 694.560 5.065 5 40 KKBB O=C(Oc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)cc1)c1cccc([N+](=O)[O-])c1 408841716 JYBZUVDKFHOWPX-NBQDTTAVSA-N 620.086 6.100 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408854326 CNHAHIQJJRSPQF-WOSHRIRTSA-N 620.687 5.749 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408980552 FNSJUFSGLQLEER-CJIXEESDSA-N 670.969 6.506 5 40 KKBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 409066718 BHUFQBUCANENPA-DTQASYIRSA-N 511.339 5.078 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409080895 ODCGEVPWIJJTFW-BFTFSLMOSA-N 819.734 8.001 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409119683 SQSIMSOERPWLRN-FSJBWODESA-N 609.433 5.175 5 40 KKBB O=C(COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)NC1CCCCC1 409123401 GDDBCBHBEFQEFN-PGUFJCEWSA-N 604.707 6.784 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 409144618 LIMANNOPUOJOCF-PBKKUYBVSA-N 726.631 5.044 5 40 KKBB Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)cc1 409175930 FAYMOTFXBZTBFF-UHFFFAOYSA-N 508.486 5.853 5 40 KKBB COc1ccccc1OCc1ccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 409179568 QINKEHFMVAPMJP-UHFFFAOYSA-N 513.502 6.014 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1Cl 409183060 QVSWTHASOPAOQZ-KEBDBYFISA-N 532.361 6.145 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409198612 INXQDUGOVBMYKS-JFLMPSFJSA-N 569.595 6.011 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1 409269292 AUNCQCCHDRQFTL-FSJBWODESA-N 548.533 5.587 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409274114 BKMZTLFEILEDFA-GSFJQCGGSA-N 650.801 6.204 5 40 KKBB Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 13525750 GGXWDECWDSOBPD-OXMAITBSSA-N 507.546 6.122 5 40 KKBB O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14278389 DDMRWKMDICISLS-UHFFFAOYSA-N 505.284 6.073 5 40 KKBB CCn1c2ccccc2c2cc([P@@](/C=C3\N(C)c4ccccc4C3(C)C)(=Nc3cc([N+](=O)[O-])ccc3C)N(C)C)ccc21 97984591 KDJUZEZZCIOQLZ-ZXORGDTHSA-N 591.696 8.935 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 102085844 UETCURFXUHVMSX-PRJPHZNJSA-N 598.995 5.638 5 40 KKBB O=C(Cc1ccccc1)Nc1ccc(Cc2ccc(NC(=O)Cc3ccccc3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 102243119 KHGAZUVXQAHRME-UHFFFAOYSA-N 524.533 5.456 5 40 KKBB CCOC(=O)[C@@H]1CCCN(CCCNc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1 102468380 NORSNWNIUFFSLP-OAQYLSRUSA-N 581.713 6.316 5 40 KKBB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br 102555949 SOBMLYLWTNXPKK-NXCFDTQHSA-N 574.387 5.570 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 103537180 LFXOAIZPQLAAIT-YCHSVXFSSA-N 555.590 5.885 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 103546610 PSQFWVFXXVDHGV-HKFRAXQBSA-N 541.563 5.451 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1cccs1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 103554061 PPCVFMUUBPASDY-NAQGONTDSA-N 561.619 5.903 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(c1cccc3ccccc13)=NN2c1ccccc1 103757229 CWMSTQAHTOWTMB-XIFFEERXSA-N 569.646 7.287 5 40 KKBB CCOc1ccc(-c2nnc(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2-c2ccccc2F)cc1 104005516 FLXVGRSPUKEJFJ-MRXNPFEDSA-N 532.557 6.284 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 107750618 VIFVYNGYZWWACJ-YXDQGSNCSA-N 598.464 5.582 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccccc1Br 215060453 HFYCMKGCDIQEDU-LPYMAVHISA-N 525.380 6.173 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NC(C)(C)C)c1 223042286 ZZCCCBDSGANMON-NRFANRHFSA-N 661.177 5.101 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3Cc3ccccn3)cc2)cc1 224785186 YKNIAFXBBINVAI-FQLXRVMXSA-N 564.696 6.563 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)o1 225357429 PDJLOYFDVACVKP-SXOMAYOGSA-N 530.606 6.223 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 225540456 NGVAPUISSKIOFC-IZZNHLLZSA-N 513.579 5.251 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260871852 KONWDBOOSYMJNX-HXUWFJFHSA-N 651.569 5.356 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 408565314 BQOLTLCPUDGQQY-NJLXRYBVSA-N 532.811 5.794 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1cccc(F)c1 408565524 CDXUFBZEBNBOOD-DEOSSOPVSA-N 561.010 6.595 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565925 MFCXFKLFQIDFSI-LAMXGVLKSA-N 577.262 5.857 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1C 408568221 HYIQUIKQZVCJBD-RUZDIDTESA-N 587.927 7.298 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1ccc(Cl)cc1 408570341 KZLTXWISKQJQRA-HSZRJFAPSA-N 559.873 6.681 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408570589 LLSLMMLMSFNQCG-DEOSSOPVSA-N 600.451 5.944 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408571293 OHAHCANSSAWCGW-QHCPKHFHSA-N 563.894 7.533 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(C)cc1 408572600 RJTNWJRDWOZTMT-SANMLTNESA-N 504.612 5.972 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 408574013 UJYIUAJOSBZTDT-XMMPIXPASA-N 512.994 6.366 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 408577431 ZLVQVJSBGGXDPS-XMMPIXPASA-N 563.894 7.533 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C(=O)O)n[nH]1 408631826 LYLDKLAEQOXGJS-SRZZPIQSSA-N 575.455 7.064 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 408648583 WSMXPGVGYRZPGG-UHFFFAOYSA-N 632.412 5.966 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2C(=O)c2ccccc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408656494 SRYKRRSRVTXZCC-HSZRJFAPSA-N 627.005 5.477 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408664984 ZBDXGRICTLXCCJ-XMMPIXPASA-N 643.446 6.023 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc(C)c(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1OC 408755933 GJTOEDZZPWCNCN-AMQCUNCASA-N 619.699 6.121 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)o1 408778135 BOZXEBCVKJFNMB-LCQSEVKBSA-N 551.649 5.857 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408933920 BBJJXRWBESAHRB-FJNIOPPGSA-N 814.611 6.198 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)N1CCN(c2ccccc2)CC1 409015690 RUIAPEPKIYXNQW-PCLIKHOPSA-N 716.408 6.084 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4F)cc3Br)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 409078897 DVRAASKXWDRAQY-GKTKDVHMSA-N 682.524 5.196 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n21 409142102 BGCOJSAQUXDITC-GRXWAMFVSA-N 710.632 5.424 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)ccc1Cl 409152991 KNSDTXRDCSIMKV-UVHMKAGCSA-N 732.993 7.230 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409180798 RSPSCRPOYIMXSU-KAEGSSFASA-N 627.122 5.671 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409261061 AQDSNTVWNDXNMK-SRZZPIQSSA-N 666.428 6.427 5 40 KKBB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)CC1 409269177 GNIOSCCFJVZRIS-SRZZPIQSSA-N 628.423 6.463 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 409272618 NPIMKCMKEHNADE-RGVLZGJSSA-N 558.366 5.301 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409275043 HMMIOJMFMUQOEI-FSJBWODESA-N 526.929 5.886 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1-c1ccccc1 6280781 MEMVXPSLKAFHQK-QGZVFWFLSA-N 556.570 6.234 5 40 KKBB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14275408 UDPRHDPSPQEJLD-UHFFFAOYSA-N 500.584 5.174 5 40 KKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccc(Cl)c(Cl)c2)cc1/C=C\c1ccc(Cl)c(Cl)c1 17197664 YYZPXBXVBQSBDG-SOSXVSKCSA-N 510.160 8.457 5 40 KKBB COCCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 33749910 GRJFAINEHRGPED-UTNOOFTGSA-N 514.619 5.023 5 40 KKBB CCc1ccc(C2=NN(c3ccccc3)[C@]3(C=C2)SC(c2ccc([N+](=O)[O-])cc2)=NN3c2ccccc2)cc1 97951134 RGXFWOACSYKXFI-HKBQPEDESA-N 531.641 7.207 5 40 KKBB Cc1ccc(NC(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H](C(=O)Nc3ccc(C)cc3C)C(=O)C[C@]2(C)O)c(C)c1 100239258 IPNOEJKGVICOJE-JGLCYXNFSA-N 543.620 5.146 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4N4CCOCC4)C3=O)cc2[N+](=O)[O-])cc1 100369158 CDAGVIVOQNZMPH-ONUIUJJFSA-N 590.683 5.566 5 40 KKBB O=c1/c(=C\c2c3ccccc3cc3ccccc23)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 100954059 VGQQPUVZNWSLKA-DUCIMOQJSA-N 565.654 6.533 5 40 KKBB O=C(Oc1ccccc1)Oc1ccc(N(C(=O)Oc2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 102629163 VATVYAJQAIKSHH-UHFFFAOYSA-N 568.947 6.220 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 104085266 XDIBCSRNOZUHER-JQIJEIRASA-N 562.582 6.215 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105313280 YYOMTMUGWGANQU-UHFFFAOYSA-N 588.045 6.173 5 40 KKBB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112233317 RIHREBBIHPRLIJ-UHFFFAOYSA-N 529.405 6.267 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223477335 GVSPZCSGZFJTDD-HKBQPEDESA-N 697.185 5.676 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224751959 YGDREPNTUDHUAQ-YTTGMZPUSA-N 693.222 5.925 5 40 KKBB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccco1 224766146 JAKTZBHNBFRLRF-IHLOFXLRSA-N 581.723 7.378 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225372598 NWOGSCIGBKSMDA-SANMLTNESA-N 508.018 5.347 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260979037 KTYQQKRYUUPQHN-MGBGTMOVSA-N 640.762 5.489 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 261039543 KGVLEDDVDANZSF-PIKZIKFNSA-N 649.597 5.531 5 40 KKBB CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408560442 ZNHCCUCHQYNRCW-QHCPKHFHSA-N 594.827 6.889 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408565886 DCRJGOUHTSOPRN-RUZDIDTESA-N 559.475 6.889 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)cc1C 408566290 FFWQWIGWDFYVLT-RUZDIDTESA-N 571.472 6.783 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408568176 SGRMJSHLZLWWEK-DVKBMCPXSA-N 542.817 5.203 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OC 408571001 MRRNWAIGIHYFEC-GOSISDBHSA-N 527.828 5.509 5 40 KKBB O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408657721 NMNJUOVBYOZAGB-KPHNHAPKSA-N 633.871 6.703 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408676690 BFDCJZYUIVHYBA-FZDFQQAASA-N 529.552 5.044 5 40 KKBB O=c1/c(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408771656 IMQCYYOITYLLRR-MIUGUJGPSA-N 600.483 6.794 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl 409160291 TUSLVXWDWKLHAZ-BHGWPJFGSA-N 680.013 6.920 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409165442 YHFDGODUGSDOQU-ZVHZXABRSA-N 569.433 6.572 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)cc1 409171488 CCVZDEPJCMSDJW-MTJSOVHGSA-N 604.891 6.837 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409190758 WAEUMEIZAKUJDH-VWUPUJNNSA-N 797.746 8.210 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409262800 HLCUGPVFHDQEPM-ZMOGYAJESA-N 678.888 6.750 5 40 KKBB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 409272554 ZWNHOVOJIGZNEH-UHFFFAOYSA-N 550.036 6.513 5 40 KKBB CCOC(=O)c1c(-c2ccccc2)oc2ccc(Oc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])cc12 1793746 DNLQHQPWCLPPGJ-UHFFFAOYSA-N 516.384 6.904 5 40 KKBB O=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4125307 HBUCKGIDZTVRBN-UHFFFAOYSA-N 539.430 5.570 5 40 KKBB O=C1S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 32124588 MATBKYFGFRNPED-RGVLZGJSSA-N 503.388 7.294 5 40 KKBB O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 100167297 JLDCHQUOZDZCHR-UHFFFAOYSA-N 534.060 5.813 5 40 KKBB CC(C)(C)c1ccc(C(=O)N2N=C(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 100838560 VJSVCHNNBHXECR-PMERELPUSA-N 605.094 8.046 5 40 KKBB COC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCC2 102423425 WWNJMQCGPGMQTO-UHFFFAOYSA-N 574.040 5.463 5 40 KKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2 103078094 ZUERTACYQZZDOS-NKFKGCMQSA-N 541.578 7.867 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(C)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1OC 104658024 FOFVESZQPNFSTQ-DXUGRCAZSA-N 605.672 5.813 5 40 KKBB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 105303286 SGECUBJXTYUNNS-NTCAYCPXSA-N 571.033 6.431 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 164514025 SPWZSIHBJJIKAP-XNENXQGPSA-N 647.709 5.431 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1[N+](=O)[O-] 215013638 IBXCNFFARVEFFA-SRZZPIQSSA-N 545.451 6.551 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223911780 JCNAUVRAIRIUMN-FQEVSTJZSA-N 696.020 5.467 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225691836 MNGXZVNXPFGXFM-QRWLVFNGSA-N 526.417 5.011 5 40 KKBB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408545605 XOKMJTZSWMOPQI-UHFFFAOYSA-N 501.351 5.332 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 408565420 BVLZZFZKYOSOIX-BABFKJTQSA-N 525.964 5.025 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 408568678 IGTGGGIJJHRZOZ-DEOSSOPVSA-N 528.993 6.066 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1 408570301 KVXGVPPFAIVKAO-QHCPKHFHSA-N 668.795 7.452 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408827324 JDKCHRVDXCSINX-IZBTWGKQSA-N 783.919 6.374 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C1c3ccccc3C2(Br)c2ccccc21 408917885 CJBCSAPPDSMGPE-ISQHLFTMSA-N 554.194 5.261 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(SC)cc3)C(C(=O)OC(C)C)=C(C)N=4)o2)c([N+](=O)[O-])c1 408920077 GWIJSAOJWONLBW-SUAMDDGLSA-N 605.694 5.086 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408944292 UUQZVWPCFFXFSC-JLKMOJGBSA-N 613.692 5.073 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 409030069 CAPZYIPIISUIMU-FQKMCRJQSA-N 608.072 5.407 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 409188528 CRNSVORRVVJBHV-OIUASMPBSA-N 761.282 6.195 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409191398 GMJFNUXDDINXCN-FZEVDNDPSA-N 780.716 6.272 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 409191553 ZACWBEAJRPLWNP-NSQMGQQPSA-N 734.263 6.865 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409196902 ZXUWVWDQPCAPSI-MTJSOVHGSA-N 554.968 5.509 5 40 KKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccc(Cl)c(Cl)c2)cc1/C=C\c1ccc(Cl)c(Cl)c1 5722881 YYZPXBXVBQSBDG-IOBHVTPZSA-N 510.160 8.457 5 40 KKBB COc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)c4ccccc4n3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 6924940 KZWKIHLFVWOOIW-MUUNZHRXSA-N 535.991 7.223 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccccc6Cl)cc5)nc34)c12 13644219 LUGYOUWJJQTNJX-UHFFFAOYSA-N 507.953 7.033 5 40 KKBB COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCCC[N+]2(C)CCc3cc(OC)c(OC)cc3[C@@H]2Cc2ccc(OC)cc2)cc1 79210003 OIYMOZFHZYEACX-VBBNTDCGSA-N 710.956 7.792 5 40 KKBB O=c1/c(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 103841470 FANHPAYEYHFKCV-SAGCDJCOSA-N 589.648 5.945 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1[N+](=O)[O-] 105304184 GLCRGJXSCGCIBA-UHFFFAOYSA-N 523.954 5.547 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 105312577 IHXUQLLYMWJBJK-SFHVURJKSA-N 559.648 5.880 5 40 KKBB CCOc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 105542603 LHUUTTNSCZYBDZ-UHFFFAOYSA-N 528.550 5.114 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 106739009 BDOXLOXMGPNKEM-QRVIBDJDSA-N 616.433 6.332 5 40 KKBB CCN(CC)CCN(C(=O)OCCOC(=O)N(CCN(CC)CC)c1cccc2sc3ccccc3c(=O)c12)c1cccc2sc3ccccc3c(=O)c12 150391356 KDVRTSIMMDQTOP-UHFFFAOYSA-N 766.986 8.413 5 40 KKBB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 205703158 GLEFWEDWQXJVLD-BRJLIKDPSA-N 504.608 6.308 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)o1 224318979 IDHJWRYWJNVIBY-CLJLJLNGSA-N 500.580 6.052 5 40 KKBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 225116364 UBPCTOYARRWMBZ-HHHXNRCGSA-N 535.666 5.001 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225592092 LRWQOXIOCLTOGV-KDYSTLNUSA-N 601.125 5.166 5 40 KKBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 253488118 XIRUWOOZGAGXCD-ACZXLBTNSA-N 599.599 5.502 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 408569618 JWMRWOUWPRZMOF-BABFKJTQSA-N 525.964 5.025 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1F 408570995 MQTKRKYICQDGKO-VWLOTQADSA-N 508.575 5.721 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1ccccc1 408571121 NRSGAMUBLPQNPL-QHCPKHFHSA-N 549.867 7.225 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408649123 XOGPZQCOHRTGCS-WVZRZZCNSA-N 686.546 5.935 5 40 KKBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 408666026 ZVUHECDJHMUFFZ-WEHTZMTISA-N 601.615 5.124 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408684186 MYWHLECOAOPYMV-ZYNNUQKQSA-N 658.536 6.252 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733020 CYLBGUOFWDRMRY-UUGOHJJBSA-N 725.006 7.506 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 408822610 BJQPLXIGHODOHL-MFCBUNOESA-N 682.980 6.010 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccccc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408941940 KTXVLYIWLBJXSN-CBDLDADJSA-N 694.560 5.065 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408951706 UWBSJFRXURYQOQ-SKYXIMHFSA-N 634.881 5.545 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)c(OC)c1 408981153 ZWVRFXUQIBCSDR-SJXDCSIJSA-N 657.104 5.713 5 40 KKBB CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409118421 QIHOJSLUGWXSFC-UHFFFAOYSA-N 596.421 7.582 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409182503 LTQPGFLAYARNQI-UHFFFAOYSA-N 591.359 6.534 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 409220554 BJRCZCMSRFBOSC-LICLKQGHSA-N 650.232 5.829 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409274268 CKRTZGUSQRSMGG-JVWAILMASA-N 573.627 5.194 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409352481 VZYGCOSCZSJPPR-FQEVSTJZSA-N 585.901 6.024 5 40 KKBB Cc1ccc(C(C)C)c(OCCOc2ccc([N+](=O)[O-])cc2-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 2296820 ZKCFYCLIQRPTMB-UHFFFAOYSA-N 519.623 6.328 5 40 KKBB CCC1=C(C=O)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6C(=O)[C@@H]5C(=O)OC)[C@H](CCC(=O)OC)[C@@H]4C)c(C)c3CC 5742794 SRYLBVVSGTUXQR-XKVYXGRUSA-N 622.722 6.307 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 8426046 NJIYOIZMWBAETB-ASUJOLEISA-N 546.692 6.228 5 40 KKBB Cc1cc(Oc2cc(NC(=O)c3cc4nc(-c5ccccc5)cc(C)n4n3)cc([N+](=O)[O-])c2)ccc1Cl 9008508 ZQWLCDVMMMZNEQ-UHFFFAOYSA-N 513.941 6.619 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 11852765 FAFMNKJWIYHVBO-UHFFFAOYSA-N 558.952 5.874 5 40 KKBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 40717550 DUGCBGQEAUWQIP-FYWRMAATSA-N 502.571 5.201 5 40 KKBB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(-c3ccc([N+](=O)[O-])cc3)oc2cc1OC(=O)c1ccc([N+](=O)[O-])cc1 51011827 PMNIMLAHIOCZGA-UHFFFAOYSA-N 590.548 6.612 5 40 KKBB biogenic O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 57313288 JUWYYWYKIAVAJF-BMRADRMJSA-N 522.561 5.469 5 40 KKBB CCCc1ccc(C(=O)N(c2ccccc2)[C@H]2C[C@@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 97940047 HXMKCUJHWXRGRT-IPBJYNAHSA-N 533.628 7.374 5 40 KKBB CCOc1ccc(Oc2cc(Oc3ccc(NC(=O)c4cc5n(n4)[C@@H](C(F)(F)F)C[C@@H](c4ccc(C)cc4)N5)cc3)cc([N+](=O)[O-])c2)cc1 97999538 BOUNPTJXZZACTC-XDFJSJKPSA-N 673.648 8.996 5 40 KKBB CCn1c(CCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2CC)nnc1SCc1ccc([N+](=O)[O-])cc1 101196768 ZCQSKIYEAIOPAP-UHFFFAOYSA-N 554.658 5.096 5 40 KKBB CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@]2(S1)c1ccccc1C(c1ccc(C(C)(C)C)cc1)=NN2c1ccccc1 101406728 JIRKDNAFBODYCH-MGBGTMOVSA-N 575.694 7.431 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1 112242539 IYEWTBZLVBHXEB-UHFFFAOYSA-N 594.097 5.288 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112242796 KXGKROGNNDWJAT-UHFFFAOYSA-N 555.975 5.159 5 40 KKBB CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@H]1[N+]1(C)CCCCC1 118912530 GVEAYVLWDAFXET-SMLFIRBTSA-N 572.875 6.111 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 150389679 IZWBNTUQVSYALQ-KCQXITDRSA-N 668.522 5.055 5 40 KKBB O=C(NCc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(F)cc2)n1-c1ccc([N+](=O)[O-])cc1)c1cccs1 150508129 DFSWAOQNMHIHGJ-QHCPKHFHSA-N 647.739 5.838 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 163219571 QKYNQOUUDLLUIS-JAYSWQADSA-N 638.496 5.046 5 40 KKBB O=c1/c(=C\c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 164093988 OFUQRGBISOSWHM-SELCLYCASA-N 650.763 5.480 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]23)cc1 169682338 YDBRFTUWPFMXJZ-NQCYILGJSA-N 697.143 7.454 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 214977590 NUXODEUMBRBBDX-FSJBWODESA-N 555.406 6.181 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223678551 WIXYXOALARNUQW-XMMPIXPASA-N 560.434 5.065 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224801376 HYTYXBFVHVMLLM-BHVANESWSA-N 698.842 6.114 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224927223 ZBDHIBSBASNONT-FQEVSTJZSA-N 651.569 5.357 5 40 KKBB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NC(=O)C(C)(C)C 225119484 GVDOJIXOJLNVPX-SVBPBHIXSA-N 571.659 6.420 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 225654770 UKCVRSQBUDPSBQ-KAYWLYCHSA-N 527.606 5.560 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)cc1Br 248243449 KHLJOYIAPCVLOW-YRAGKPRHSA-N 650.485 6.348 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408634724 WXBNQQJNAGDDGJ-HMAPJEAMSA-N 522.539 5.368 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408637549 AHRGNTUVCCENRO-GTJLZOINSA-N 632.456 5.987 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408683169 KQRMWXGZPQTSFJ-UHFFFAOYSA-N 573.603 6.715 5 40 KKBB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Nc5ccc(C)c(C)c5)c4cc23)cc1C 408720328 LFFVWUPEUHIOFZ-UHFFFAOYSA-N 626.760 9.855 5 40 KKBB COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Nc5ccc(OC)cc5)c4cc23)cc1 408720711 XIJGGHYMOUJQCN-UHFFFAOYSA-N 630.704 8.639 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408728576 OYGAWLPRRQICFG-ZSAJNUMDSA-N 701.562 8.099 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408732986 CEHITUCRYWHKLN-SZYVSPPHSA-N 675.075 6.097 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccccc1OCC 408739560 XQGJLJCTYBIEOQ-WXKAHTKJSA-N 649.725 5.837 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408945669 XOHGNPZVGUHGIE-QUNTYYFUSA-N 761.478 7.142 5 40 KKBB COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409080029 KQXCELQEFOYXOH-BKUYFWCQSA-N 560.470 5.677 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OCC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)C2=O)cc1 409107988 TZKVTQWZNDQTEV-VULFUBBASA-N 656.511 6.409 5 40 KKBB CC1(C)OC(=O)C([C@H](c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c2c[nH]c3ccccc23)C(=O)O1 409118618 ORTNGGZQUAAXFC-HSZRJFAPSA-N 658.299 6.764 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)ccc1Cl 409156526 OQBLZRVYKWYQSK-ZMFRSBBQSA-N 619.055 6.103 5 40 KKBB COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409175225 YDWSOQQVXRXJCD-HHHXNRCGSA-N 639.831 7.145 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409178692 NWBXRUVJRUPSLP-WGOQTCKBSA-N 561.616 5.810 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)c(Cl)c1 409225157 PDTZPLXFYNSFGT-YVNNLAQVSA-N 620.840 6.404 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 409271144 JKKWBKFPTARMOP-ZVHZXABRSA-N 517.563 5.466 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@@H]2[C@@H]1c1ccc(Br)cc1 97983317 ZDNBRCBWQVHZMF-OXMMHQGISA-N 629.736 8.210 5 40 KKBB CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 102652296 QZCLECMXDQFQAD-VWLOTQADSA-N 615.634 5.845 5 40 KKBB O=[N+]([O-])c1cc([C@H](Nc2ccccn2)n2nnc3ccccc32)ccc1Sc1nnc(-c2ccccc2)n1Cc1ccccc1 103763836 KDODZDKSCSJCTD-WJOKGBTCSA-N 611.691 6.852 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1 106711495 RGTNEWFHVQYMKZ-XKZIYDEJSA-N 568.405 5.611 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)c1 111467885 YIVMLXODTUBEKQ-LAUBZIAYSA-N 592.633 5.051 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)cc1 150394595 LIIGXLRLZOOLLE-POKSHJSXSA-N 637.670 5.121 5 40 KKBB O=C(Nc1ccc(Oc2cc(Oc3ccc(F)cc3)cc([N+](=O)[O-])c2)cc1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 150572979 VRNOAXNQIUGPPC-UHFFFAOYSA-N 636.543 7.756 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c2=O)=N1 164193759 MUVFJRXYVQSLBT-RQUBKTSFSA-N 754.865 7.629 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 205701765 HCOGSOWUBAWJFB-ZVHZXABRSA-N 533.562 5.166 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1Br 215086431 PRCXPPBPNOOWQJ-VXLYETTFSA-N 519.760 6.507 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 222997440 TXWJUXLZXYRSDG-XIFFEERXSA-N 658.777 5.211 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 223914995 MNKUYRJNQXWSQT-CLJLJLNGSA-N 515.595 5.502 5 40 KKBB CC(C)(C)P1c2c(cccc2-c2c3ccccc3cc3ccccc23)O[C@@H]1[C@@H]1Oc2cccc(-c3c4ccccc4cc4ccccc34)c2P1C(C)(C)C 224188489 HDNWNMANFZGXKV-TZFUJXGMSA-N 738.848 13.582 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)o1 224913571 XJMYCDIRZPXPPP-LOSJGSFVSA-N 504.543 5.883 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225545230 MVXWUNCZLWLZBA-JGCGQSQUSA-N 707.647 6.109 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 225577669 IWTBOGOJRQFRGA-KAYWLYCHSA-N 526.622 5.090 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260993508 QIDFZJXAUSSUFN-GIGWZHCTSA-N 624.760 5.138 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261024744 WKCTUANGTOKBLB-SFTDATJTSA-N 665.596 5.746 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccccc1 408564771 ABUOTCNJTFLGAR-JOCHJYFZSA-N 533.412 6.711 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 408566570 FPTXYVAECYUAGC-NDEPHWFRSA-N 589.515 7.489 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1F 408571949 QBFDUKTXBSVHNL-RUZDIDTESA-N 601.498 6.792 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408642637 NMPCXNCAOZAGCW-DVKBMCPXSA-N 604.015 5.129 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 408647917 WAVRQTSMSKXSPJ-RPWUZVMVSA-N 608.434 6.275 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 408661183 BIERRISXEXFHMM-YIGJPRQDSA-N 512.559 5.017 5 40 KKBB Cc1ccc(C)c(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 408738945 XGLVJAQYQVJBMA-NDEPHWFRSA-N 507.590 5.710 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)o1 408813693 OSOFHIMYGUOCPM-DHVLNDAWSA-N 502.616 7.217 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C1c3ccccc3C2(Cl)c2ccccc21 408918366 JPBRNHHXBKXWNW-ISQHLFTMSA-N 509.743 5.104 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408933789 AFBLJHTZQSUTJI-FJNIOPPGSA-N 769.614 5.686 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409032213 LQOKEMSSNQLKHY-XSTKMXAKSA-N 712.608 6.388 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c2=O)=N1 409034822 IJDUSDMKSPEQAU-BIWBSIMWSA-N 634.508 5.048 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409220422 ZBXTZDOSTJSHFP-FOKLQQMPSA-N 637.386 7.096 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409274998 RVHNNQGACLCYFH-IEIVDPGYSA-N 654.814 5.802 5 40 KKBB Cc1c(NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] 10433817 VOVUZXIYLFIPJH-UHFFFAOYSA-N 508.383 5.429 5 40 KKBB C[C@H]1CCCN(c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2[N+](=O)[O-])C1 12658011 GJKCBSAQXCDIKP-STQMWFEESA-N 514.793 5.975 5 40 KKBB COC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(C=CC(c3ccc(Cl)cc3)=NN2c2ccccc2)S1 97951920 SZTVBADVPQSJOP-VWLOTQADSA-N 519.970 5.422 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(C5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc34)c12 98046171 IPEGJUOKHGKRKS-UHFFFAOYSA-N 567.018 5.436 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)c3ccccc3Br)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100136176 ZQHCNAHTYQMQTP-HFESIUDZSA-N 567.528 6.337 5 40 KKBB O=c1c2ccccc2c(=O)c2c1c(NCCCN1CCN(Cc3ccc4c(c3)OCO4)CC1)cc1oc3ccccc3[nH]c12 102468825 HGWCCQXKVCQVNY-UHFFFAOYSA-N 588.664 5.289 5 40 KKBB CNC(=O)c1sc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@H]3[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C 102936599 OQNSSUDHRTWNRK-OACXUXEDSA-N 532.582 5.429 5 40 KKBB Cc1cccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)nc3ccccc3c2=O)c1 103057736 QHWZTTPGPJEQKX-UHFFFAOYSA-N 525.384 5.096 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c2=O)=N1 104945052 BLNQEADIDHEKAD-ITNPZBTBSA-N 608.651 5.798 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 105968918 BLMZWCZJMVJXDF-FMCGGJTJSA-N 558.565 5.055 5 40 KKBB COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCc1ccc(Cl)cc1Cl 106745314 NXKOTMPRWRVFJO-KSEXSDGBSA-N 545.400 6.726 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 111470007 YULMBBIOSWPQNU-OINPTKSXSA-N 609.635 5.551 5 40 KKBB Cc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)o1 113563310 UOYUVAYFFRAZPI-DVFLESNOSA-N 596.621 5.330 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 150390370 JKDUVCMZFAACKV-CWJUKMOQSA-N 630.078 5.782 5 40 KKBB O=C(Nc1ccccc1)C(Cn1c(SC(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)nc2cc([N+](=O)[O-])ccc21)C(=O)Nc1ccccc1 150461537 LAQMZANOYOKDNX-UHFFFAOYSA-N 713.776 6.576 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 150463860 JZMPIGBREFIMOY-NHDPSOOVSA-N 622.266 7.074 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225160492 DDKIFVNAOMZYSS-DEOSSOPVSA-N 518.079 5.738 5 40 KKBB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 225674879 BBIHSPNOPFMDCM-SVBPBHIXSA-N 543.605 5.260 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1 226628932 YUBUBTHBZIIYES-QFMXGDCESA-N 662.698 6.801 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260946074 JHXZRGNBBADFAF-DFHRPNOPSA-N 645.178 5.483 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 408564840 ANYIQUSPBCUVPS-RUZDIDTESA-N 570.027 6.225 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)c(OC)c2)cc1 408565630 COZASGBWKJTCAQ-VWLOTQADSA-N 506.584 5.282 5 40 KKBB Cc1ccc(COc2ccc(Br)cc2[C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 408569496 JIARTHJNOGSDTF-AREMUKBSSA-N 567.509 6.953 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1F 408577076 YNTXXELWZVEFBG-HXUWFJFHSA-N 513.363 6.456 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)c1 408577164 YPZMGOCDYPWVBM-XMMPIXPASA-N 512.994 6.366 5 40 KKBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)cc1[N+](=O)[O-] 408666241 GWACUJJVAYERLP-UHFFFAOYSA-N 546.363 5.903 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729998 MPFXIGUMUWPURN-DDIUQFJASA-N 621.671 5.546 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]32)cc1 408733015 VBLUVMFKZVDQNW-ACNFANBVSA-N 580.980 5.932 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 408853093 YNARQFIFCFCKPK-UNDLXJOSSA-N 641.105 6.094 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1cccc(Br)c1 408989571 IGWRMYZKSHAHDV-MKOZVTOYSA-N 745.658 6.960 5 40 KKBB COc1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409194703 QQZMDITWOSNCDK-HDGMWEBWSA-N 549.333 5.329 5 40 KKBB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 409342941 CKDYYAFDRWRVFI-LJQANCHMSA-N 508.431 5.840 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C(c3ccc4ccccc4n3)[C@H]12 4048147 NYXWOKXMYHHPEP-WRCAVZGJSA-N 599.690 8.910 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1)Nc1ccccc1[N+](=O)[O-] 8424642 KDMGSRMALPDSKG-UHFFFAOYSA-N 543.424 5.950 5 40 KKBB CC1(C)C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@](C)(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 8444507 HSHUTCIVSWXNTR-UPCLLVRISA-N 537.400 5.555 5 40 KKBB O=C(Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8899009 PHLOFPXSOCFPCP-UHFFFAOYSA-N 510.358 7.691 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12 102893263 LRNYNWZTGLBQKI-ANOKCIKSSA-N 582.037 6.166 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105308090 XRBXKWIQMOSDKA-UHFFFAOYSA-N 556.431 6.437 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc(Cl)cc1 106688413 QFUZLAFALACWBJ-CFRMEGHHSA-N 503.967 6.488 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 106740075 GRKPDFQOOKCVGV-KSEXSDGBSA-N 571.970 5.650 5 40 KKBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)o2)cc1Cl 112234942 ARBSCKBYJOYSRZ-CSKARUKUSA-N 525.011 6.467 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(OC)c(OCc6ccccc6)cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1 163255127 GQEDJLCLWZTQIK-FFWTUWPMSA-N 631.710 5.823 5 40 KKBB CCc1ccc(C(=O)N2c3c(C)cccc3[C@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3C)C[C@H]2C)cc1 163941977 FHOCGSYTEDADCO-WVXBCFDCSA-N 638.189 9.469 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccc(I)cc1 215177753 KZXLEQAYDJMMQL-YBFXNURJSA-N 532.315 5.696 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223519761 WQFNLAOULGZBTD-RUZDIDTESA-N 714.068 6.789 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(F)cc4)o3)cc2)cc1 224785933 BPJMJSMTDBMDPC-URLMMPGGSA-N 568.655 7.717 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225288264 XJHRZYGQQYUBHE-GDLZYMKVSA-N 559.663 5.380 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225492416 UVVLQNMNOKKYPZ-PMERELPUSA-N 675.635 6.065 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 408555041 FNRKKWATNBJPNC-UHFFFAOYSA-N 504.370 6.238 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408567080 GICOJMHILWJYOY-VFICKSILSA-N 586.870 5.648 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1cccc(F)c1 408568696 IJFRZSNUBCYRRM-RUZDIDTESA-N 557.047 6.764 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408569075 IPZOGDYWZZMFAX-VWLOTQADSA-N 559.475 6.970 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 408577444 ZNLOPTAHVOMOQF-AREMUKBSSA-N 539.057 6.625 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408577496 ZQVFPPDGVMVCKW-DEOSSOPVSA-N 638.371 7.651 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1 408582414 NZLVGMJPNMFFMJ-UHFFFAOYSA-N 631.306 6.378 5 40 KKBB CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 408639720 YEZXTXULXYKZCX-JOCHJYFZSA-N 560.559 5.123 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408733140 FDWJTOSBQLUMHV-CTGRGZOBSA-N 725.109 6.895 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408832655 VLPRHUDEMKQINM-PRLWALMFSA-N 772.983 7.397 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408836628 TUHPBHLFABCRSJ-FQKMCRJQSA-N 608.072 5.407 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c([N+](=O)[O-])cc1OCc1ccccc1 408928148 ZYZAAHXZHUHBBS-FJNIOPPGSA-N 645.759 5.405 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408981480 HWHXSHHGJMTLRF-ZDZYTSRMSA-N 702.967 5.790 5 40 KKBB COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)c(OC)c1 409140029 CXFNYNVOGVWYAC-LJAQVGFWSA-N 509.562 5.973 5 40 KKBB O=C(O[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409175248 YOIVPBKALIQDHM-AREMUKBSSA-N 540.915 5.830 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409180589 XOJCNKSCTYSHQO-OAQYLSRUSA-N 637.114 5.890 5 40 KKBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O 409198448 ARTLKJMKQDVGGN-DKSCHZSNSA-N 603.369 6.546 5 40 KKBB O=C1N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccccc1 409238526 DTOAJEWHDWXIHZ-CIAFOILYSA-N 587.224 5.792 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409369102 CJBXNHZRGNQDKN-UHFFFAOYSA-N 745.428 8.687 5 40 KKBB CCCOc1ccc([C@@H](O)[C@@H](CC[C@H](C[N+]2(C)CCCCCC2)[C@@H](O)c2ccc(OCCC)cc2)C[N+]2(C)CCCCCC2)cc1 524734508 LKJLUMSRUYTZIX-ZGRJFDBWSA-N 638.978 8.085 5 40 KKBB CCOC(=O)[C@H]1CCCN(CCCNc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1 9461717 GNWCICJEHIWFCV-IBGZPJMESA-N 525.605 5.018 5 40 KKBB C[C@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 32578454 WACWKDQGVQIMCZ-HNNXBMFYSA-N 500.577 5.073 5 40 KKBB COCCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 33749913 GRJFAINEHRGPED-IRJLPVGZSA-N 514.619 5.023 5 40 KKBB c1ccc(-c2c3nc(c(-c4ccccc4)c4[nH]c(c(-c5ccccc5)c5nc(c(-c6ccccc6)c6[nH]c2c2ccccc62)c2ccccc52)c2ccccc42)c2ccccc32)cc1 95537483 FTLBCTMWXUZNRJ-UHFFFAOYSA-N 814.992 16.151 5 40 KKBB O=C(Nc1ccc(C(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 97984239 NFEIFOXJPHGJGU-UHFFFAOYSA-N 647.353 5.749 5 40 KKBB O=[N+]([O-])c1ccc(-c2nc(-c3cccc(-c4nc(-c5ccc([N+](=O)[O-])cc5)c(-c5ccccc5)[nH]4)c3)[nH]c2-c2ccccc2)cc1 100024165 VRQKUZPQOOOJQV-UHFFFAOYSA-N 604.626 8.951 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 100189987 MBFDJBKUEPQNHO-PRLWALMFSA-N 587.654 5.099 5 40 KKBB COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 102877559 SUUFERUYZMLAHJ-ULNSLHSMSA-N 614.010 5.836 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(Cl)cc1)[C@@]21C(=O)Nc2ccccc21 103547665 PNPZEWJZMSIVKO-CDACFMRSSA-N 590.035 6.494 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccccc1 103862948 WDOYBCHRCFGMSK-UOZQHNDTSA-N 566.682 6.242 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306165 UCMQRFSKKMJRNK-UHFFFAOYSA-N 570.458 6.827 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1c(F)cccc1Cl 106739622 QUXOURINXFHHGG-FMCGGJTJSA-N 528.945 6.211 5 40 KKBB Cc1c(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 107641560 AQYMUDYUSXNLRP-UHFFFAOYSA-N 587.279 5.802 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccccc1 111465297 VRGNBZIADBHBGK-CLNXTWJPSA-N 607.644 5.112 5 40 KKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)sc2c1 163570417 BENQXWFDNQVJSD-UHFFFAOYSA-N 635.696 7.295 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(F)cc3)cc2)cc1 224782002 RWCKUJNFUJVZBO-VMPREFPWSA-N 567.671 7.248 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)o1 225144252 MWZARBPZCNBAER-KAYWLYCHSA-N 592.077 6.683 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12 247300677 DYEXHBYXRFDPOE-YGGCMVMVSA-N 576.008 6.104 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260927780 ASEVTKXOOKCJOO-PGUFJCEWSA-N 753.705 7.113 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 261091320 UDNHVUZHBPBTDG-KMRXNPHXSA-N 649.597 5.531 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408563295 AEQLRBGFNFJSML-ATBUFXNFSA-N 592.490 5.790 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1 408571036 MZFOGJNFAKLYRU-VWLOTQADSA-N 525.030 6.317 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(F)cc1 408572115 QQSHBDGMUXRAAR-OAQYLSRUSA-N 513.363 6.456 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1cccc([N+](=O)[O-])c1 408647921 WBFBMWVUOAQNNI-UHFFFAOYSA-N 779.417 6.835 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc([N+](=O)[O-])cc1 408684512 NPYZFLMPDOAXCO-UHFFFAOYSA-N 789.969 6.089 5 40 KKBB O=C(Oc1ccccc1)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Oc4ccccc4)c3cc12 408720491 RHBNCVOOYASXEO-UHFFFAOYSA-N 572.620 8.555 5 40 KKBB O=C1Oc2ccc3ccccc3c2C2=C[C@H](c3ccc4c(c3)OCO4)[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]3[C@@H]12 408729295 AUVPFNZLIYHVFU-FDHJMSBKSA-N 594.963 5.652 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408770535 YPGAWLQNIYARBI-MBSKNMOHSA-N 738.613 5.464 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408779263 SYKJMVSPGARKNS-KMCFWPMWSA-N 654.144 6.881 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c2=O)=N1 408927223 OVUMKOQDFNMCAU-YMSBRDKKSA-N 584.075 5.462 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n21 408937543 GUBNGDBMIUXBTM-ORVZPOCUSA-N 652.523 5.435 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408991103 MTESFOHYVZCFFN-TVRVIFGSSA-N 817.556 8.071 5 40 KKBB O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 409000129 DTWRLTWPTNIFOW-LJAQVGFWSA-N 561.594 5.362 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)o3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 409085464 XDAIBFNXVKNOCS-JRXNCPAPSA-N 582.059 5.104 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 409086060 UMXHASSDNILHCO-GSTVVXAASA-N 711.594 6.132 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 409340307 UUEJIFMESRQZRN-QFEZKATASA-N 610.486 6.735 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1Cc1ccccc1 1313731 HKAFWWXDHNSTMU-NXCFDTQHSA-N 529.936 5.555 5 40 KKBB COc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Br 6297111 SBPZWHKEGUKLDD-UHFFFAOYSA-N 537.370 6.027 5 40 KKBB CCCCc1cc(Nc2ccc3nonc3c2[N+](=O)[O-])c(CC)c(Nc2ccc3nonc3c2[N+](=O)[O-])c1 8398927 IWXBVETWSYFYSY-UHFFFAOYSA-N 518.490 5.968 5 40 KKBB Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3Cl)no2)C2CCCC2)ccc1[N+](=O)[O-] 22257636 DQHHJKXBKZLNPI-UHFFFAOYSA-N 505.358 5.610 5 40 KKBB Cc1ccc(-c2ccc(C(=O)NC(=S)N3CCN(c4c(Cl)cccc4[N+](=O)[O-])CC3)o2)cc1Cl 59331393 BWERTUNHZKECNK-UHFFFAOYSA-N 519.410 5.307 5 40 KKBB CC(=O)Oc1c(C)c(C)c2ccc3c(OC(C)=O)c(C[C@@H](C)OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3c2c1C 68601674 QNFILAJPGUKMPY-CYBMUJFWSA-N 552.576 5.114 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 98000175 RZMBOYYJMXHZOB-UHFFFAOYSA-N 553.578 6.161 5 40 KKBB CC[C@]1(C)Cc2c(sc3c2c2nnc(SCC(=O)NC(c4ccccc4)c4ccccc4)n2c2nnc(SCC(=O)NC(c4ccccc4)c4ccccc4)n32)CO1 150544134 LFDUJAMHRYWXJB-USYZEHPZSA-N 825.058 8.224 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl 214438556 SJCOTOGPRGPWTA-ZVBGSRNCSA-N 546.344 6.839 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223879189 PEDZDGNKUGUQFR-SANMLTNESA-N 714.068 6.791 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224542126 CMQMJUOEKNKHOM-HKBQPEDESA-N 683.614 6.263 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224863042 MTBXCOHIVPOGPN-SANMLTNESA-N 714.068 6.647 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260854839 FVFKREIJUYDITO-JGCGQSQUSA-N 727.667 6.579 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(C)cc1 408569879 KCQDQQDUKFBHBZ-AREMUKBSSA-N 597.535 6.961 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408645180 HQSMAYKIQCTDOF-MFTWVQLTSA-N 684.104 7.173 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408688421 WGVIJMRSQNIUCW-QYVZARNFSA-N 598.442 6.351 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733150 FGVACGPXXGMKOY-ZYDFGXJWSA-N 737.810 6.154 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccccc1Cl 408791265 XXVCDUKKRLDUFZ-HAWPWTPLSA-N 650.156 6.858 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408832319 XXFNQDOASZXYFC-XXMKCSCWSA-N 644.027 5.481 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408942750 RHJZGHGVCKQBSV-UHAPOFRNSA-N 742.648 6.988 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 408999777 XRTLGCKCVOLDNS-GARKAJJMSA-N 713.815 5.333 5 40 KKBB COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409079804 MAPQBCNBVYJCCM-BKUYFWCQSA-N 607.470 5.520 5 40 KKBB Cc1cccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 409117627 LRDIKPRMIQDPIF-UHFFFAOYSA-N 506.194 6.619 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 409180310 YELPYQJQHPRQSL-UHFFFAOYSA-N 539.456 5.453 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409222516 DONPKQDJNVKNAB-RMORIDSASA-N 636.035 5.147 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409379934 CNWZOMDFGGKBAL-VYYCAZPPSA-N 652.523 5.956 5 40 KKBB COc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])c(Br)c(Br)c1OCc1ccccc1 409387403 IOBQLYBHTZFPSM-BQYQJAHWSA-N 553.163 5.079 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 832729 LGNQBHJUSAEBFH-RAWLKHAVSA-N 558.546 5.031 5 40 KKBB COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 3006585 IIZUOJSVEONZCO-QHCPKHFHSA-N 512.946 5.093 5 40 KKBB Cc1ccc(C(=O)c2c(O)n(-c3ccccc3)c3nc(-c4ccc(C)cc4)[n+]4c5ccccc5sc4c23)cc1 3223902 ZIWCAPFTFMLMON-UHFFFAOYSA-O 526.641 7.199 5 40 KKBB Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1Cl 3290418 ZCPIPFSGRHCCSO-UHFFFAOYSA-N 521.740 5.890 5 40 KKBB aggregator C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CO)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C 4208820 WIYHQQHVEHHTQF-UHFFFAOYSA-N 566.658 6.353 5 40 KKBB COC(=O)CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)OC)c5C)C(C=O)=C4C)c(C=O)c3C 4429395 HGSYXOHTQBPXFQ-UHFFFAOYSA-N 594.668 5.863 5 40 KKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14275368 HDUGDFJOXIYXBB-UHFFFAOYSA-N 514.588 6.567 5 40 KKBB COc1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCN(C(=O)C(C)C)CC3)o2)c([N+](=O)[O-])c1 14291161 KAJCRYFJSSNIKE-UHFFFAOYSA-N 526.977 5.074 5 40 KKBB COc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)c1OCc1ccc(Cl)cc1Cl 16228243 KZKCWOTXWXLHHO-UHFFFAOYSA-N 510.805 6.344 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1 22838920 LKKHOKGTAYTBGN-UHFFFAOYSA-N 514.586 5.069 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Oc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 33353848 ONCNZRCBFUNWGD-UHFFFAOYSA-N 588.445 5.616 5 40 KKBB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)c1 59885538 SXLAWEKVRJDZSP-NLRVBDNBSA-N 559.600 5.592 5 40 KKBB CCOC(=O)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 97956695 OHJHEUVFWKIZNW-QFIPXVFZSA-N 527.514 5.237 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 100343135 AXQJTUVFSRRVIM-MFKUBSTISA-N 547.589 5.556 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 100367816 WVZDNBUHSHVTLD-RGFRMHDHSA-N 585.707 5.475 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)N1C(=N2)C(Nc2ccc(Cl)c([N+](=O)[O-])c2)=Nc2ccccc21 102447711 LLIATTVXMIKBBP-NDEPHWFRSA-N 560.017 7.538 5 40 KKBB Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 103055261 NCYCKADOPYYDJV-QSYFUGGGSA-N 537.787 5.692 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1OC 104657998 SOOWUHABTHWUDO-KOHOJCOXSA-N 605.672 5.813 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 161983975 JCMGOBKTARRPBC-UHFFFAOYSA-N 634.631 5.734 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222874163 IZFZQXYQPHCXEP-SANMLTNESA-N 542.463 5.856 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223368321 GNTYMBLVJFPICY-SANMLTNESA-N 601.125 5.166 5 40 KKBB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224353115 DZLKXEHAOUXWPW-INIZCTEOSA-N 512.459 5.324 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225449562 KCXLGFCQSXWAHB-DHUJRADRSA-N 812.183 7.612 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225602328 IGKGFNDPSNAADN-HHHXNRCGSA-N 665.596 5.233 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408568713 ILBJJWBENOASTL-VFDLGOFSSA-N 621.315 6.302 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408634135 RKAKYZTZSWBSFJ-XKZIYDEJSA-N 556.984 6.022 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)c1 408648783 ZPHVIMYOAHXXPW-UHFFFAOYSA-N 543.985 5.309 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408687752 UUZAWSRQUCRZEP-UHFFFAOYSA-N 608.048 7.369 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733961 TVKWIBQZJXKZHC-WNOXZJQASA-N 723.783 5.851 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408825681 FLAXAEIWKQARAI-GWXNNEATSA-N 755.174 8.027 5 40 KKBB O=c1/c(=C\c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408847124 ZRHSKJITYCZSGC-GEYGMGCISA-N 679.179 6.072 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)cc1OCC 408943298 YTTRWPXDYOKVAF-MKTOWPBFSA-N 729.005 5.719 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCC6)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl 408990700 LLMHYAMISLCWEZ-UHFFFAOYSA-N 646.175 8.518 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 408990737 YKBVEGBSRQMEJD-QZVQSRICSA-N 690.759 5.036 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1cccc(OC)c1 409002577 VFHXDXPMUQDNSU-DGVSTJFLSA-N 758.856 7.977 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 409060149 UAPDJEPAZICPDR-XKZIYDEJSA-N 616.877 5.737 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409099734 SJOBTDVMHWKAGC-KMYVYOQISA-N 695.779 5.198 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)ccc1Cl 409151343 ARLVSRLMRDJOPS-OEAKJJBVSA-N 584.006 6.140 5 40 KKBB O=C1N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 409243446 WKYVIRRAFCLWBX-RGVLZGJSSA-N 518.740 6.231 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1Cl 409275208 ZNCUBGKEOGTUCW-KEBDBYFISA-N 592.811 5.954 5 40 KKBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(I)c1OCc1cccc2ccccc12 409333386 SEPIKDOETKWKTN-KHPPLWFESA-N 585.354 5.702 5 40 KKBB COc1ccc2c(Cl)c(-c3nnc(SCC(=O)c4cccc([N+](=O)[O-])c4)n3-c3ccccc3)sc2c1 2293521 UXRJPHQPAUAWAJ-UHFFFAOYSA-N 537.022 6.694 5 40 KKBB CC[C@H](Sc1nc2cc(C(=O)NCc3ccccc3)ccc2c2nc3ccccc3n12)C(=O)Nc1ccc2c(c1)OCO2 2959500 SFOPREUNBJXJJI-LJAQVGFWSA-N 589.677 6.204 5 40 KKBB COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnc(OC)c3ccccc23)ccc1N1CCCCC1 9193202 SDTVHTICYWYDCB-UHFFFAOYSA-N 513.554 5.465 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20153075 PKRBONDRJQRTHM-UHFFFAOYSA-N 514.991 5.118 5 40 KKBB CC1=C[C@H](O)CC(C)(C)[C@@H]1/C=C\C(C)=C\C=C/C(C)=C/C=C\C=C(C)/C=C\C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C 43768015 KBPHJBAIARWVSC-VZUSBXNKSA-N 568.886 10.403 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 100359333 KFAAICBEGNAJOL-MFKUBSTISA-N 547.589 5.556 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1 102984732 XNHGWTWYXMDDNW-UHFFFAOYSA-N 536.057 6.833 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 104083974 FSETZOYMNSGOHG-UHFFFAOYSA-N 553.619 5.546 5 40 KKBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 104086769 YNUJEESAUXDTHM-UHFFFAOYSA-N 529.380 5.125 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CCCCCc5ccc6ccc7cccc8ccc5c6c78)CC[C@]4(C)[C@H]3CC[C@@]21C 150342094 YRAVQIYIXJZCDI-FPSZFVJWSA-N 685.049 13.640 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 205687787 JRQCIDBSRAAWGT-YDZHTSKRSA-N 661.430 6.322 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223939376 KGVLEDDVDANZSF-LYZGTLIUSA-N 649.597 5.531 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 225082131 YDXPBYCFAPUJBN-CONSDPRKSA-N 590.665 5.975 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 225697482 HUEZVFMPVSBLAB-KAYWLYCHSA-N 527.606 5.560 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260894531 GOOCQNRBVCHQRB-UUWRZZSWSA-N 672.779 6.018 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260940547 IRCHCNISCOXUMY-IDISGSTGSA-N 601.125 5.166 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 408565587 CLCJPCGKQAYUBX-MHZLTWQESA-N 569.083 6.716 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1F 408568191 HWCBVYOHASECDU-HSZRJFAPSA-N 591.434 6.314 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1C 408576561 XSEHVYUXXDJSHO-RUZDIDTESA-N 587.927 7.298 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)O)o2)c1 408634913 XXAALEYZULZQEK-MYKKPKGFSA-N 565.560 5.467 5 40 KKBB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408646847 IYSPJCPNVHLSAI-JCGDYVMLSA-N 571.589 5.116 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1cccc([N+](=O)[O-])c1 408688428 WHIVHHFCZIHJIA-UHFFFAOYSA-N 789.969 6.089 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408735899 ZBRMMMOLTGHRDQ-PRLWALMFSA-N 682.549 5.526 5 40 KKBB CCc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C1=O 408756994 LDUYXJQZKBKCOT-UHFFFAOYSA-N 516.351 6.617 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1cccs1 408773907 TZAGHQLBUZMUJO-RWTNITNYSA-N 813.433 5.556 5 40 KKBB COc1cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 408805292 FWXLTPORPKFOJK-KIAYDSLMSA-N 558.680 7.236 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)cc3Br)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 409079222 KOZCULGJXIWLII-ZCWBPALNSA-N 733.424 6.363 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409098780 PIHVPNGCMNXRRU-DFXMODJXSA-N 636.730 5.742 5 40 KKBB Cc1ccc(COc2ccc([C@H]3N(Cc4ccccc4)C(=O)c4cc([N+](=O)[O-])ccc4N3Cc3ccccc3)cc2)cc1 409109355 CBKUTBOLHRFPHI-PGUFJCEWSA-N 569.661 7.844 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 409171961 FOCVQWSGSMLJNA-UUWRZZSWSA-N 565.585 7.653 5 40 KKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)cc1 409178555 LBSUECIZOBSHJK-UHFFFAOYSA-N 528.473 6.009 5 40 KKBB COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 409188611 HUSBWFBYFRSPKP-GRSHGNNSSA-N 513.289 5.474 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(Cl)cc1 409192204 VPPKJBVOARNBAL-RGFRMHDHSA-N 721.648 6.443 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409194733 QMVXLCUHLGCVBB-DDIUQFJASA-N 824.179 7.341 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc5ccccc45)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409350718 SARJTTXEZBVGMO-XDYZZPCYSA-N 775.621 6.360 5 40 KKBB O=Cc1ccc(-c2cc3c4cc(-c5ccc(C=O)cc5)c(-c5ccc(C=O)cc5)cc4c4cc(-c5ccc(C=O)cc5)c(-c5ccc(C=O)cc5)cc4c3cc2-c2ccc(C=O)cc2)cc1 2048532816 RXKDNNMSUIILDJ-UHFFFAOYSA-N 852.942 14.023 5 40 KKBB Cc1ccc(C(=O)COC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1[N+](=O)[O-] 2209168 MNFGITDROJYXOH-UHFFFAOYSA-N 503.514 6.220 5 40 KKBB Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc32)cc1 2266591 PSQHQGCYMSZPJW-MUUNZHRXSA-N 505.039 7.906 5 40 KKBB Cn1c2ccccc2c(=O)c2cc(NC(=O)CCC(=O)Nc3ccc4c(c3)c(=O)c3ccccc3n4C)ccc21 5615539 AKRBHLRIMVWYFN-UHFFFAOYSA-N 530.584 5.054 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 49766927 BIIYWHLOULXKJD-OHKLAEMPSA-N 662.698 6.801 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)n1-c1ccccc1 95471411 CUVMQECXSKIGNR-QHCPKHFHSA-N 515.422 6.572 5 40 KKBB O=c1oc2ccccc2c(O)c1C(c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1c(O)c2ccccc2oc1=O 97951811 WTNNXUJTUJZWJV-UHFFFAOYSA-N 526.284 5.706 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@H]1C(c1cccc([N+](=O)[O-])c1)[C@@H]1C(=O)N(c2ccc(C)c(C)c2)N=C1C 100930843 JJFZXDSDHSNMCQ-VSGBNLITSA-N 537.620 5.990 5 40 KKBB O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2)c1ccc(Cl)c([N+](=O)[O-])c1 101017346 DYKTXDVXONKTDM-FQEVSTJZSA-N 507.337 5.801 5 40 KKBB C[C@H]1CN(CCCNc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C[C@@H](C)O1 101025694 ZPTUJUIJPSRSCZ-BGYRXZFFSA-N 539.676 6.150 5 40 KKBB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 102890797 BVDAAQKWCKLXRL-KCHLEUMXSA-N 583.528 5.013 5 40 KKBB O=c1cc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Oc3ccccc3)cc2)c2c(ccc3ccccc32)o1 103087409 YXVCAPFHMAANDR-UHFFFAOYSA-N 588.088 8.932 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(Cl)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1OC 163266814 XJIFNQMSAHMTCO-IVQFASICSA-N 626.090 6.158 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224535902 XSLZYMNHZCUDBN-SANMLTNESA-N 635.570 5.222 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 225654716 UKCVRSQBUDPSBQ-SVBPBHIXSA-N 527.606 5.560 5 40 KKBB O=C(c1ccccc1Cl)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 247309973 IBCZGCCENCMFBC-CILKRHGOSA-N 576.008 6.104 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408565513 LFSJWGRUDUUOOB-IPEONRORSA-N 621.315 6.256 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408567190 QFSSJCVREVNINJ-SIJZCSJPSA-N 647.353 6.788 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 408569629 JXXMMYWDKJZRJQ-XMMPIXPASA-N 528.993 6.066 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1 408572011 QJMNTXVKMTZVOY-XMMPIXPASA-N 587.471 6.565 5 40 KKBB O=c1/c(=C\c2ccc(-c3cccc(Br)c3)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408771198 DVONFUWJPSZQCO-HRIDGTDGSA-N 610.489 6.249 5 40 KKBB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408772521 MMKZBXOZUCJRQZ-ZGOFBEGVSA-N 505.596 5.735 5 40 KKBB Cc1cc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C 408777670 FPGISJILAFWTSA-IVQFASICSA-N 604.644 6.012 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5cccc([N+](=O)[O-])c5)c(Br)c4)c(=O)n32)cc1OCC 408934657 MCIXGDPNOYOFOY-WQVUUJHJSA-N 694.560 5.065 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5cccc([N+](=O)[O-])c5)c(OCC)c4)c(=O)n32)cc1OCC 408937532 GTTPIIOOWCJMRS-JNNIQXQOSA-N 785.613 5.306 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 408999485 LJDMILBGLXUBBB-JOHYPREOSA-N 727.842 5.642 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409033767 PLHNNGYUKIGCHX-FLGOMVIPSA-N 766.225 5.288 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc5ccccc5c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 409083799 OPTGEIAFYIHCHO-SAGCDJCOSA-N 775.621 6.442 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)cc1 409085746 DAMLOXUDKWJZAT-ZPMAPHDVSA-N 662.724 5.378 5 40 KKBB CC1(C)OC(=O)C([C@H](c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)c2c[nH]c3ccccc23)C(=O)O1 409119382 WLCXXOACQIIQEY-XMMPIXPASA-N 579.403 6.002 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409154475 BCLGLVJDKUQLQF-WSDLNYQXSA-N 578.559 5.596 5 40 KKBB O=C(O[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409175251 YOIVPBKALIQDHM-SANMLTNESA-N 540.915 5.830 5 40 KKBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409200446 SFIHZFBANXDQEP-DKSCHZSNSA-N 603.369 6.546 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 409244146 YMTQQGWCGZRQEN-YDZHTSKRSA-N 569.401 5.574 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409272582 NHOSZFDETPMMRJ-ZMOGYAJESA-N 549.517 5.010 5 40 KKBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1Oc1ccccc1 409309877 NLLIELITONYJCY-UHFFFAOYSA-N 537.981 5.875 5 40 KKBB Oc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([nH]4)c(-c4ccc(Cl)cc4)c4nc(c(-c5ccc(Cl)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1 2113469526 LJDKFVTYJBIMGZ-UHFFFAOYSA-N 734.086 12.989 5 40 KKBB O=C(COC(=O)c1ccc2c(c1)-c1ccccc1C2=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 1901277 WDCNFDRBSZHWCS-UHFFFAOYSA-N 513.889 6.292 5 40 KKBB COc1ccc(Br)cc1[C@H]1c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2N=C2C(O)=Nc3ccccc3N21 3309743 BNFMUDHHZJHYBX-QHCPKHFHSA-N 559.380 6.101 5 40 KKBB Cc1cc(C)n(-c2cc(N3CCN(c4nc(-c5cccc6ccccc56)cs4)CC3)ccc2[N+](=O)[O-])n1 8815921 IFRBHTLCCIVCDF-UHFFFAOYSA-N 510.623 6.001 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(Cn3nc(-c4ccccc4)c4cc([N+](=O)[O-])ccc43)cc2)c(Cl)c1 24522960 CPGGYKQWOXKDGZ-UHFFFAOYSA-N 516.966 7.373 5 40 KKBB CCOC(=O)c1oc2ccccc2c1CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC 25396757 NSPMFTLPPFIOPJ-UHFFFAOYSA-N 503.536 6.158 5 40 KKBB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 59294595 IQWKPUGECROCNR-UHFFFAOYSA-N 500.388 7.645 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 97983826 UVMLGXOHJPBVFH-ZHPYGUFWSA-N 558.585 6.146 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(Sc3ccc(Sc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 103599055 NZPUCTVADOJBEV-UHFFFAOYSA-N 582.597 7.773 5 40 KKBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307847 JGRPAYLNDXHRFQ-UHFFFAOYSA-N 521.986 5.783 5 40 KKBB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1sc2c([N+](=O)[O-])cccc2c1Cl 105355646 CLRWEZZYALPDDM-UHFFFAOYSA-N 534.833 8.299 5 40 KKBB Cc1ccc(N(CC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 108884051 KWGSPEIZXIERNL-JKBKZWBZSA-N 520.051 5.001 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc2ccccc2c1 214993483 GYLWZKIHJSDAQY-OGLMXYFKSA-N 540.597 6.962 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215002243 SHQSWSWZXBKFIT-VXLYETTFSA-N 530.312 5.762 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224295850 KCSUBTUBDXYGJR-HKBQPEDESA-N 663.196 5.998 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224473079 YCRGNELHWYKHCA-XIFFEERXSA-N 727.667 6.580 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225415095 DHZMNBKQPQDIRA-UUWRZZSWSA-N 707.249 6.317 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225561489 ZFHMKAISMODFQC-SANMLTNESA-N 598.494 5.301 5 40 KKBB CC1=C(/C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 255221229 JKQXZKUSFCKOGQ-ILZYAWKTSA-N 568.886 10.547 5 40 KKBB CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565658 LQJWUXROMABDOO-RZPHLTDDSA-N 542.817 5.203 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1Cl 408566606 FSIYXJVWJJXDJJ-DEOSSOPVSA-N 511.003 5.927 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 408567779 HJEXGBMVYLBTOT-JFDTUHHPSA-N 532.811 5.794 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1C 408568229 HYJIMZNFMDPJML-VWLOTQADSA-N 622.372 7.951 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 408603981 CLWKMHUSDVOISV-UHFFFAOYSA-N 514.376 5.694 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]23)cc1 408728884 VWXFQAHQIYFUNO-OFRZWCKSSA-N 665.145 8.054 5 40 KKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)C(c1ccccc1)c1ccccc1 408820941 ARVIFESHGXHMMX-UHFFFAOYSA-N 526.017 7.809 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 408852715 VTAOISYBOXPBIO-ACHQHTMYSA-N 802.647 6.373 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1CCc1ccccc1 409006303 IVTURNFGFYKGAH-HAHDFKILSA-N 539.407 6.215 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409032017 HVWWFBSCFNQDDK-PNQAETMRSA-N 673.744 5.090 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1 409084396 BMJWHCYOCSVEMG-PYCBVSLESA-N 606.660 5.359 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 409105048 IBGJBMNOECBFKW-ZVHZXABRSA-N 612.458 6.010 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409107627 WZBQMKYDIMXQGF-TWCLOYOVSA-N 692.794 5.761 5 40 KKBB COc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccccc1 409120607 UQABEJPUUCFEJI-DHUJRADRSA-N 664.556 8.306 5 40 KKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409154790 KMTUUYZURGFVQQ-WSDLNYQXSA-N 557.506 6.389 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl 409160080 SKOZFKZSSDQPSL-QFEZKATASA-N 610.044 6.069 5 40 KKBB O=C(CN1C(=O)c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409180165 PUXVFRFXEUHGDO-LQFQNGICSA-N 727.638 6.047 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c2)cc1 409180590 XPIQRHCRDQGLNP-UHFFFAOYSA-N 524.573 7.294 5 40 KKBB COc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 409190316 WRLHVGLIYZZWOW-GZAHHAHMSA-N 549.333 5.329 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)c1ccc(Br)cc1 409220139 UTHWHSZNRBROSQ-SOFYXZRVSA-N 516.156 5.583 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 409334539 STVIQBADPOZYRD-HHHXNRCGSA-N 547.633 6.300 5 40 KKBB O=C(CS(=O)(=O)c1ccc(SC(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(SC(F)(F)F)c1 1794509 PQICXYXOCYGBMY-UHFFFAOYSA-N 520.454 5.231 5 40 KKBB CCCCc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 1900964 JNSTVTZNCGXTDM-YTTGMZPUSA-N 581.680 8.227 5 40 KKBB O=c1oc2ccc(Br)cc2cc1-c1cc(-c2ccc([N+](=O)[O-])cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 2323103 NPTQKYKBIVDJGK-UHFFFAOYSA-N 533.294 5.892 5 40 KKBB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 5553047 FISIGJXTGDYTEM-UHFFFAOYSA-N 505.232 6.120 5 40 KKBB CC1=CC(C)(C)N(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 6077363 ZZXNKSVBVZESIY-UHFFFAOYSA-N 578.712 8.862 5 40 KKBB Cc1nc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)sc1C 8827416 CEKOURLIPNGACD-GOSISDBHSA-N 512.341 5.287 5 40 KKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 8898546 WVPREDSLDSUNLX-ZZXKWVIFSA-N 506.773 6.177 5 40 KKBB CC1(C)CC2=NN(c3ccccc3)[P@](=Nc3ccccc3[N+](=O)[O-])(N3CCCC3)C2=C(N2CCCC2)C1 15906616 WAUDEXCYOVUHOM-DIPNUNPCSA-N 518.602 7.357 5 40 KKBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@H]1c1cccs1 96398766 VGBBXJUWSWAXFG-LNMIWKSPSA-N 514.028 6.573 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(c1ccc(C)cc1)=NN2c1ccccc1 97950426 OTXKOWCSBFGVDN-SSEXGKCCSA-N 533.613 6.442 5 40 KKBB Cc1ccc2[nH]c3c(cc(NCCCN4CCN(c5ccccc5)CC4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 101029755 CMCLFAUQPOBELH-UHFFFAOYSA-N 544.655 5.874 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 101064306 SXJKNKYNYILGKE-NBJHOTSESA-N 620.459 6.213 5 40 KKBB Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 101095159 WMZUMKLGYFTYLW-JVPIYLDOSA-N 535.600 5.492 5 40 KKBB CC(C)OC(=O)c1ccc(CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 103053763 WDLKGOYAZRLTCG-UHFFFAOYSA-N 546.907 5.821 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2Cl)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103529370 FKWLUXZNSYSCKD-PBNWVGGGSA-N 576.008 6.230 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccccc1Cl)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 103542454 PWVRXKYEONVPMP-CDACFMRSSA-N 590.035 6.494 5 40 KKBB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)sc2c1 105305866 ZXGHPHKZNBGSDD-UHFFFAOYSA-N 531.663 6.297 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105318363 JKJOIPZETKMOMH-UHFFFAOYSA-N 559.623 5.443 5 40 KKBB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3Cl)nc2c1 112237644 GVXBJAATKLHLCG-UHFFFAOYSA-N 566.039 5.637 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c2=O)=N1 150392474 JKTHNKUOOZRZQA-WGJPBTIMSA-N 653.713 5.917 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccccc1 214670427 JONNHQASYONWKT-CIAFOILYSA-N 543.479 6.081 5 40 KKBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222952430 OWZPWEKYLQTCOH-LJQANCHMSA-N 621.543 5.429 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223292546 HEZAWFFVBAGPSO-HXUWFJFHSA-N 621.543 5.431 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224157208 ADRUCLGZSBDDHS-AREMUKBSSA-N 540.085 5.648 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 224759498 LUKMPIOVCYZLGW-XZWHSSHBSA-N 564.623 7.228 5 40 KKBB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224780987 ANWQGRCRGSZTRO-LOYHVIPDSA-N 563.708 7.417 5 40 KKBB O=C(O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 224787127 NDGRNTHCDZVMSJ-URLMMPGGSA-N 594.674 7.276 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225227605 QDZYLVYBNSEIMS-LEWJYISDSA-N 649.141 5.232 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1NC(C)=O 225333653 UBZDZOSXOWNEIA-IZZNHLLZSA-N 529.578 5.394 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225435429 BEILPVSPVPYRKK-MUUNZHRXSA-N 624.532 5.834 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1ccc(F)cc1 408569511 JJLTYIBFYOLCNC-QHCPKHFHSA-N 533.412 6.711 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccc(Cl)cc1 408576109 XHYKNIFCLHRPKD-QHCPKHFHSA-N 525.974 5.826 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408648452 WLLFMVCAXTZUQX-UHFFFAOYSA-N 662.836 5.766 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408649124 XOGPZQCOHRTGCS-ZBWOKKAISA-N 686.546 5.935 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)c1 408671770 UQHDKFXBPLPHLY-UHFFFAOYSA-N 533.581 6.028 5 40 KKBB O=c1/c(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408756618 RILGRRYTBHJMCL-IMUCPKNRSA-N 729.450 7.331 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408778633 JDZSVYRKTBUGMX-FUAQWRKOSA-N 679.726 5.961 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1cccs1 408780175 UPVHNUVLOVCPDU-YNMQQHPQSA-N 625.684 5.140 5 40 KKBB O=C1c2ccccc2C(=O)N1CN(C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(Cl)cc1 408849584 ZITAGIFSPXYABH-UHFFFAOYSA-N 526.357 6.017 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409163283 OVDNEOPDRNYWON-FSJBWODESA-N 564.532 5.287 5 40 KKBB CCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1OC 409164716 MRTOVBHDWXSUHM-PYCBVSLESA-N 631.707 5.462 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccc(C)c(C)c1)c1ccccc1 409183044 QMURSKJEPQJVKD-LJAQVGFWSA-N 598.995 6.455 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409192384 BYVPTUBSHCZGTE-IVQFASICSA-N 763.729 7.853 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1/N=C(c2ccc3c(c2)OCO3)OC1=O 409192856 GCTLZPZXLLSIQG-ZTEAAMANSA-N 563.316 5.049 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)c1 409273178 IULGIVUMXVEUDO-FSJBWODESA-N 571.533 6.698 5 40 KKBB Nc1c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc2n1-c1ccc(Cl)c([N+](=O)[O-])c1 1874696 FXOKBHYQLYEHPE-UHFFFAOYSA-N 507.337 5.301 5 40 KKBB Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 3139469 UWSULCXJUDAIRX-UHFFFAOYSA-N 500.682 5.399 5 40 KKBB O=C(NC(=S)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8833003 KLMGSPRHHRHAEY-UHFFFAOYSA-N 509.613 5.026 5 40 KKBB C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC12CC3CC(CC(C3)C1)C2 12542756 SIKZQQWGVDRYDE-AEBPFMNOSA-N 510.974 5.110 5 40 KKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(Cn4nc(C)c(Br)c4C)cc3)nc12 13961093 QVULLONQXIVPTJ-UHFFFAOYSA-N 518.444 5.795 5 40 KKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(Cc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 15277166 AEMKXXYEVWQDPW-UHFFFAOYSA-N 503.298 5.246 5 40 KKBB CC1=NN(c2ccc(F)cc2)C(=O)[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(C)nn(-c2ccc(F)cc2)c1O 18102657 MMXKQJJYLUXMNE-ILBGXUMGSA-N 517.492 5.244 5 40 KKBB COc1ccc(-c2ccc(C(=O)Nc3ccc4nc(NC(=O)c5ccco5)sc4c3)o2)c([N+](=O)[O-])c1 20411084 ARLKKXGVQBAAGU-UHFFFAOYSA-N 504.480 5.571 5 40 KKBB O=C1S/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 33380668 DVOOWSBNWFBPEN-UUYOSTAYSA-N 515.374 6.717 5 40 KKBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 33575626 VGBBXJUWSWAXFG-OMLVZSMESA-N 514.028 6.573 5 40 KKBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2)CC1 40717800 HTEIKXBIVSGIAL-UHFFFAOYSA-N 501.008 5.410 5 40 KKBB O=C(NC(=S)Nc1ccccc1Sc1ncnc2scc(-c3ccccc3)c12)c1ccccc1[N+](=O)[O-] 97940068 XUKAZLVMNRKQRJ-UHFFFAOYSA-N 543.655 6.545 5 40 KKBB Cc1ccccc1C(=O)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1 97997824 OKRXUOHPZJFHCN-NDEPHWFRSA-N 607.464 7.166 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 101672806 GKACDUHCMJDVPI-WFPUBZAHSA-N 571.589 5.460 5 40 KKBB CC1=C[C@H]2N(c3ccc(C)cc31)[C@H](C(=O)c1cccs1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 102899265 KSFYBRZTBGDRCL-UUQNIDNHSA-N 575.646 6.211 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103534147 UYWKKVIQGBEANC-PBNWVGGGSA-N 559.553 5.716 5 40 KKBB CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3Cl)CC2)cc1 105025666 QBWUKBJCIWCWDN-UHFFFAOYSA-N 557.434 5.905 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)c(C)c1 105314202 QAVLDSKUMFZKOR-UHFFFAOYSA-N 583.674 6.179 5 40 KKBB CCC1=C[C@](C)(CC)N(Cc2ccc([N+](=O)[O-])cc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 105513128 FOJCULUQNAYOAL-KDXMTYKHSA-N 578.756 9.960 5 40 KKBB C[C@@H]1CCCN(c2ccc(C(=O)O[C@H](C)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2[N+](=O)[O-])C1 108861303 GJKCBSAQXCDIKP-CHWSQXEVSA-N 514.793 5.975 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 112252569 PJCXETQYGFNSQT-JVWAILMASA-N 619.493 7.725 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224068537 LVJPOUSZMHXZPR-MHZLTWQESA-N 519.667 5.303 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224378057 VYXFCXMUVOPXEW-HKBQPEDESA-N 693.620 5.719 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224485171 YQWCFCOMCOKHCF-NRFANRHFSA-N 538.428 5.155 5 40 KKBB CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 224786786 NMQDWUMLNXEQOK-CONSDPRKSA-N 594.718 7.977 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224831106 YQEZGPAGBMNAIR-QHCPKHFHSA-N 640.734 5.112 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225579536 BTXARDGXJPTELF-HHHXNRCGSA-N 665.596 5.233 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225597813 OEEUYQQVQYPSSR-SKCUWOTOSA-N 645.178 5.483 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225622645 QQONZFBDDROAAI-UMSFTDKQSA-N 741.694 6.970 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc5ccccc5c4C=C[C@@H]3[C@@H]2C1=O 248079874 CORKNRFVHAWXMO-ZIZDPRJYSA-N 529.552 5.329 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(Cl)cc1)[C@]21C(=O)Nc2ccccc21 248337211 PNPZEWJZMSIVKO-YUAOJYLXSA-N 590.035 6.494 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1cccc(C)c1 408560243 XYHPTHLUPBFBLV-UHFFFAOYSA-N 547.349 5.146 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408567276 QSLAEPBAOGXIEP-GUHIOJMWSA-N 523.589 5.386 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1cccc(F)c1 408571048 NAWZAXAIVBETAK-VWLOTQADSA-N 508.575 5.721 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccccc3)cc2Cl)cc1 408574423 UTUOXGCGUFYSPY-HSZRJFAPSA-N 529.449 6.880 5 40 KKBB CCOc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)cc1 408696313 ZQQSHOCPFTXFTQ-UHFFFAOYSA-N 508.332 5.256 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C)cc1 408827669 LSZDMESTWWILDM-FLWFWKMMSA-N 598.464 5.582 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)cc1 408850081 FJDFRUUHAIBFDR-VSQRRKBNSA-N 707.721 5.890 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 408988810 RQQZOMMZPAJTGT-GRPHBVMCSA-N 647.709 5.431 5 40 KKBB CC(C)N1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409054592 ABBSOEUPQKOGDB-MFOYZWKCSA-N 556.232 6.144 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 409108602 XBDYZVRRYJOMKB-YOWYGEOISA-N 663.781 5.908 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccc1C(F)(F)F)C2=O 409178038 DNWYVBBCXJKJEF-AREMUKBSSA-N 574.467 6.195 5 40 KKBB CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCCC2 409180250 QKPFMFMODLDMJT-UHFFFAOYSA-N 622.121 5.516 5 40 KKBB O=C(Oc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409180418 SFZVTGIWWVGALI-UHFFFAOYSA-N 520.475 5.347 5 40 KKBB Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C3=O)cc1[N+](=O)[O-] 409181153 XYDNCDVPNDFZAO-UHFFFAOYSA-N 546.841 5.416 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 409191232 DWBGAOAJEWXHCT-PQNXSAFSSA-N 785.691 7.096 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409205212 GLTCBCQYKHYXMF-SRZZPIQSSA-N 538.354 5.038 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409272769 HAFINUMNJFBABD-MXAYSNPKSA-N 515.522 5.656 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409362270 TUPIIPHLYONKNL-GKTKDVHMSA-N 713.006 6.018 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)sc(C)c1C 6089470 KPIUGXHGAVMOMJ-UHFFFAOYSA-N 537.623 5.428 5 40 KKBB Cc1nc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)sc1C 8827417 CEKOURLIPNGACD-SFHVURJKSA-N 512.341 5.287 5 40 KKBB CCC1=NN(c2ccccc2)[C@@]2(SC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)c2ccccc21 13658369 GCRNUHJCCFMUFE-LJAQVGFWSA-N 505.603 6.955 5 40 KKBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1sc2cc(Cl)ccc2c1Cl 14275257 HIOSOSTYIGXARL-UHFFFAOYSA-N 505.202 6.006 5 40 KKBB CCOc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nc3sc4c(c3c2=O)CCN(C)C4)cc1 20330112 KCRBYMZLJSERIH-UHFFFAOYSA-N 508.625 5.034 5 40 KKBB O=C(Nc1ccccc1[N+](=O)[O-])C(=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-] 25396152 JDEKPMPAGIWHCM-UHFFFAOYSA-N 501.282 5.471 5 40 KKBB CCCc1nc2sc3c(ncn4c(SCC(=O)Nc5ccc(Br)cc5)nnc34)c2c2c1CCCC2 53306342 MZXXZZWNNYEUNO-UHFFFAOYSA-N 567.538 6.212 5 40 KKBB COc1cc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)[nH]2)ccc1OCc1ccccc1 53335970 LJUYEUOVWSLYEV-UHFFFAOYSA-N 553.618 8.574 5 40 KKBB O=[N+]([O-])c1ccc(/C(Cl)=C\c2ccc(/C=C(/Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 68563493 QMZVNISRQXPNKX-LQGKIZFRSA-N 531.264 6.793 5 40 KKBB Cc1ccc(N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]2C[C@H](C)N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccc(C)cc32)cc1 100152312 CWDBVXKWBFGBHL-XFQDKJMZSA-N 616.674 7.746 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cc([N+](=O)[O-])ccc1Br 100296950 FCTQOFIJEDUMSO-UHFFFAOYSA-N 581.835 7.099 5 40 KKBB O=C1S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc(F)cc1Cl 100343411 CIIHOJBWFMLJLD-BHGWPJFGSA-N 521.957 6.627 5 40 KKBB O=C(Nc1ccccc1[N+](=O)[O-])C(=O)[C@@H](C(=O)c1ccccc1-c1ccccc1)[C@H]1OC(=O)c2ccccc21 102933780 NXGPSBMKJWIUQL-NAKRPHOHSA-N 520.497 5.180 5 40 KKBB Cc1c(Cl)cccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 103091102 DLOTVRXXPYXKIJ-UHFFFAOYSA-N 528.801 5.697 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O 105315397 RCYVSWGNAUZHNO-UHFFFAOYSA-N 528.590 5.404 5 40 KKBB CC(C)(C)NC(=O)c1sc2c(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cccc2c1Cl 105355284 YMILAEBETROHGH-UHFFFAOYSA-N 560.101 5.718 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc(Br)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1OC 163267609 PCGKHOWRASPINR-QQMBNGEASA-N 670.541 6.267 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222763166 COHZRSPQUPUMBO-HKBQPEDESA-N 699.613 5.800 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)c1 229624334 AFMJNMFGJOBXNT-IDFSYQMWSA-N 571.589 5.585 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)C 260905126 WKTHRDRBLACAID-JGCGQSQUSA-N 628.751 5.263 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc(F)c1 408565954 DKQYELAYZXBHSZ-HSZRJFAPSA-N 591.434 6.314 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1ccccc1 408567191 GRISOGWJKSNEFM-QHCPKHFHSA-N 543.418 6.166 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(C)cc1 408567546 GVJYUMKSGOPUSK-MUUNZHRXSA-N 532.666 6.589 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 408567666 QYLMRBRYPSGBRJ-ZVFGGPEJSA-N 552.002 5.511 5 40 KKBB CCn1c(S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)O)nnc1-c1ccc(Cl)cc1 408634767 UFAQWDAFUZOJPP-HAHDFKILSA-N 536.997 6.323 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408768395 IMTFCOPUQHGUNM-HWMKKPCCSA-N 759.031 5.727 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408941938 QYCLRWQROCFUCK-UAMLYEQYSA-N 769.614 5.686 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cccc(OC)c1 409000161 MSIAAPPBQZKQQE-DTDQMKFYSA-N 678.679 5.553 5 40 KKBB CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n21 409013063 JXWIMPUSIRSKSK-OUXZYKPHSA-N 622.743 5.529 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409036646 SADPPCIYVYLVEJ-UAMLYEQYSA-N 648.137 5.728 5 40 KKBB CC(C)NC(=O)COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409148115 ONYWYARWEQOEDW-YTTGMZPUSA-N 564.642 5.860 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl 409159414 ZYAFUIXJRJRRIW-SRZZPIQSSA-N 555.952 5.278 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1 409184333 XODXASMMYFVLIH-CIAFOILYSA-N 511.943 5.746 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409193439 CPFHLYLFMUESDF-BUVRLJJBSA-N 535.534 5.973 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc2c(c1)OCCO2 409198175 ZBJBOTRCTGBTLP-ZMFRSBBQSA-N 570.583 5.044 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409364104 LIRQYXATDOWJMJ-CDWRSTBESA-N 661.567 6.325 5 40 KKBB Cc1cccc(Oc2cc(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3cccs3)N4)cc([N+](=O)[O-])c2)c1 1299897 RWGFMHOLNXVREQ-KNQAVFIVSA-N 543.527 6.866 5 40 KKBB Nc1c(Br)cc(C(=O)OCC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1Br 1844879 NWHDTMKHBQGOQY-UHFFFAOYSA-N 584.604 6.187 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 2248137 PQLSZQPVSMASDC-UHFFFAOYSA-N 519.914 6.313 5 40 KKBB O=C(c1ccc(Br)cc1)c1noc(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1 4292477 VGUJVCDGBLJYNY-UHFFFAOYSA-N 513.325 5.076 5 40 KKBB biogenic CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 16044338 OEGXJHDTWBYSDN-UHFFFAOYSA-N 513.959 5.677 5 40 KKBB O=[N+]([O-])c1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCN(c3cccc(Cl)c3)CC2)cc1 38140277 HMEKHCWEIFQPHK-OAQYLSRUSA-N 537.001 5.230 5 40 KKBB aggregator Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)cc2[N+](=O)[O-])cc1 100369247 UQGIUOWDGOUQDP-OYKKKHCWSA-N 533.631 6.346 5 40 KKBB O=c1sc2c(n1-c1ccccc1)S[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H]2c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl 100872063 RIYNVJGXIKZELI-DTJIFZNFSA-N 577.127 7.692 5 40 KKBB O=C1CS[C@]2(C(=O)N(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c3ccccc32)[C@H]1c1cccc(Cl)c1 104161940 DMCKDAMGSRUZGA-UPVQGACJSA-N 532.927 6.109 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 105303864 PHAJZENTTDJQMA-RMKNXTFCSA-N 565.866 6.052 5 40 KKBB COc1c(C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc2ccccc2c1Br 105303895 GRKAFNDWOZKABM-UHFFFAOYSA-N 563.861 5.009 5 40 KKBB CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 105306055 GZRHIYIVYBARDA-UHFFFAOYSA-N 559.648 6.349 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105308098 NZQZZTJYQOIVTL-UHFFFAOYSA-N 556.431 6.437 5 40 KKBB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105465580 UBXVFBIVYBCROR-UHFFFAOYSA-N 532.969 5.677 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)n1nc(NCc2cccc(Br)c2)nc1NCc1cccc(Br)c1 199432099 ZMFLDGRZDQVPJM-UHFFFAOYSA-N 586.244 5.624 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223595146 YIDIRVZKHUZOGB-RUZDIDTESA-N 560.503 5.911 5 40 KKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1 224647572 PRPJKKLHSRCPSE-FQLXRVMXSA-N 533.613 6.750 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224661550 MIDAOZKIFSNYAH-QHCPKHFHSA-N 657.189 5.627 5 40 KKBB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)nc1 224764425 VXFCENXBXMFEDA-VMPREFPWSA-N 564.696 6.812 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccn(C4CCCCC4)c3)cc2)cc1 224790593 ZNZICFDJQCKYJJ-VMPREFPWSA-N 555.729 7.625 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225624589 JHXZRGNBBADFAF-RBISFHTESA-N 645.178 5.483 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 408556179 IDODJFDIPMTISF-UHFFFAOYSA-N 514.376 5.694 5 40 KKBB CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OCC 408565612 CNUXRYYGZBESIS-FQEVSTJZSA-N 507.410 5.246 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1C 408572472 RFOCITYOXOXVJJ-XMMPIXPASA-N 561.466 7.328 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)c1 408576548 XRHYDJFCGWDWKA-DEOSSOPVSA-N 557.445 6.475 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 408619713 HANRDFLGYNMORU-OOIQZMFUSA-N 510.977 6.289 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408644320 QXYGOPKGDQZTKS-IZZNHLLZSA-N 573.989 5.622 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408829077 WZNODAIYLKUSCN-SUAMDDGLSA-N 652.523 5.516 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408829933 NJQRQRKQZMPSDH-WKIZKNSPSA-N 660.752 5.987 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408838643 YXEOHXLSYRJWJR-GJFKPFFXSA-N 563.657 5.117 5 40 KKBB O=c1/c(=C\c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408847128 ZRHSKJITYCZSGC-VNOBABJFSA-N 679.179 6.072 5 40 KKBB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 408920390 FVJHRRQBGDJEOG-ZXVVBBHZSA-N 527.602 6.192 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408985453 KRROXLBKBNGWRA-TUVDJZKNSA-N 740.838 7.239 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 409179105 NDHXZWIBYFHCTB-AREMUKBSSA-N 503.963 7.180 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OC(c1ccccc1)c1ccccc1 409181315 AXCYCFIYQSLPGE-UHFFFAOYSA-N 542.931 6.004 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409206453 JURITPZMPRZTQP-SRZZPIQSSA-N 640.452 5.413 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409274483 DNIJFKUMLFUTSJ-OGLMXYFKSA-N 583.622 6.401 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409386428 QARWLBQOPFZAFH-WSDLNYQXSA-N 664.430 5.793 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 1787095 YALSAMYVVLKJRV-SFTDATJTSA-N 575.906 7.289 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 2565183 XDABOQGHIZSMEM-UHFFFAOYSA-N 544.446 5.964 5 40 KKBB COc1cc2c(cc1OC)[C@H](Cc1ccc(OC)c(-c3cc(C[C@@H]4c5cc(OC)c(OC)cc5CC[N+]4(C)C)ccc3OC)c1)[N+](C)(C)CC2 4273411 CJOOSZCNPCJIOG-TYHGNQNSSA-N 682.902 7.238 5 40 KKBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)cc1Cl 8836761 VJTMNUACVUIOAW-UHFFFAOYSA-N 516.388 5.956 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N[P@]1(=O)C2=C(N3CCCCC3)CC(C)(C)CC2=NN1c1ccccc1 13303011 HCMPLAUHZCHTLD-PSXMRANNSA-N 509.547 6.602 5 40 KKBB COc1cccc(OCc2cccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)c2)c1 13644094 DKXNJAKZTRPOGX-UHFFFAOYSA-N 503.534 6.388 5 40 KKBB CC(=O)Nc1ccc(Nc2cc(Sc3ccc(Cl)cc3)c(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 96022912 JBQSUMQRZOWLDJ-UHFFFAOYSA-N 545.948 6.395 5 40 KKBB Cc1ccc(OS(=O)(=O)c2ccc3c(c2)oc(=O)c2cc(S(=O)(=O)Oc4ccc(C)cc4)ccc23)cc1 102415314 QWWBUUIJGDLEMP-UHFFFAOYSA-N 536.583 5.098 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 102477091 YPPHDLHIAYXVKH-TVNXZVQQSA-N 576.008 6.230 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 102887490 WSGLHCKEQPBWEB-UUQNIDNHSA-N 576.008 6.104 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n31)c1ccccc1CC2 103818590 GRPGGLCSZHFPRM-ITNPZBTBSA-N 596.064 6.149 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 104099351 LLVAWBSLYOVAOY-UHFFFAOYSA-N 575.771 7.128 5 40 KKBB C[C@H](/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1)c1ccccc1 104266815 VFKUFQIZGDLVQP-VCUYENBOSA-N 535.478 8.843 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5cc(Cl)ccc5Cl)nc4c3)cc2[N+](=O)[O-])CC1 105222807 RZGOWKJESYSZFM-UHFFFAOYSA-N 525.392 7.198 5 40 KKBB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305771 DLMVIZJTCMGPQG-UHFFFAOYSA-N 584.485 7.135 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1 106745392 QFNQCGSUTVISOU-XKZIYDEJSA-N 510.955 6.072 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 150395552 XNJSCFGQXQIWKN-POKSHJSXSA-N 653.738 5.834 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1F 214358197 QVKMZGJEIMKEGD-UFFVCSGVSA-N 597.340 7.544 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 225639940 CLGYYKWFWSDEAE-WUFINQPMSA-N 541.633 5.868 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225718790 FMBLNLQSFHXCNH-YWZLYKJASA-N 526.417 5.011 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260996555 OSOQXIWHPXDKBG-PGUFJCEWSA-N 763.711 6.569 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 408571067 NFSGXCIJQOJHIB-AREMUKBSSA-N 573.502 7.279 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)C1(Br)c3ccccc3C2(Br)c2ccccc21 408622399 PFUXXAFWUHFRKG-CSKPTYFESA-N 588.639 5.658 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)O)n[nH]1 408631795 LOGNRFILNVHKIU-UUYOSTAYSA-N 538.969 5.839 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408789099 JHDVUSQKFCBFHH-PEPUGYCWSA-N 915.569 7.354 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408825631 DJQDJJMXNIMKBT-LLXISZFLSA-N 635.698 5.811 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408829579 POQAHOVRLINAHD-PLQXQRLBSA-N 705.023 5.611 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408928581 CKQQMTHFMOQDBW-WSDLNYQXSA-N 586.826 6.081 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408929524 KORDUZFRHSTKKU-ZMOGYAJESA-N 582.034 6.128 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 408987679 QUVDHPWSRWTKEG-HNVAQCFTSA-N 725.204 5.689 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c2=O)=N1 409036257 BGBZAMMOVOHMET-LCQSEVKBSA-N 622.099 5.717 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1 409153300 HQIBONVJHONIJM-UFFVCSGVSA-N 640.365 6.983 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(F)c(Cl)c1 409217721 ANYVCJNUJATMNK-ZVBGSRNCSA-N 572.914 5.763 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409220521 AYWJJEBWQSVQJT-YDZHTSKRSA-N 613.408 5.578 5 40 KKBB COc1cccc(NC(=O)CSc2nnc3c4sc5nc(CC(C)C)c6c(c5c4ncn23)CCCC6)c1 1302708 ZPTMIPUVZZTZLV-UHFFFAOYSA-N 532.695 5.704 5 40 KKBB Cc1ccc(-c2csc(NC(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C(=O)O)n2)cc1 2079627 RZBBCGAKIKBEND-UHFFFAOYSA-N 520.566 7.839 5 40 KKBB CCOc1ccc2nc(Sc3nc(Nc4ccc(OC)cc4)nc(Nc4cccc([N+](=O)[O-])c4)n3)sc2c1 2288494 FVTDFSTYYFWBJZ-UHFFFAOYSA-N 547.622 6.435 5 40 KKBB Cc1cc(C)c(NC(=S)NC(=O)c2cc(-c3cccc(OCC(C)C)c3)nc3ccccc23)c([N+](=O)[O-])c1 97959349 ULQVRKPYVNCVML-UHFFFAOYSA-N 528.634 6.588 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@@H]3c2ccc(OCC)cc2)cc1 97971209 ZELOBQMLMCXUFI-XRQYFHGVSA-N 610.711 6.666 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1[N+](=O)[O-] 100297873 OUUGSBWJNMQGEE-UHFFFAOYSA-N 546.992 6.735 5 40 KKBB CCOC(=O)CCC1=C(C)c2cc3cc(C)c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)OCC)c5C)C(C)=C4)[nH]3 100340739 LOGSUYSPUXLAGX-UHFFFAOYSA-N 566.702 7.262 5 40 KKBB O=C(Cc1cccc(Br)c1)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)c2ccccc2[N+](=O)[O-])C1=O 100947649 CFPIVPXNHPDGDA-PMERELPUSA-N 611.452 5.109 5 40 KKBB COc1ccc(CNC(=O)CCCCCn2c(SCc3cccc([N+](=O)[O-])c3)nc3cc4c(cc3c2=O)OCO4)cc1 102755722 FSIHUHBAPWWRAC-UHFFFAOYSA-N 590.658 5.211 5 40 KKBB CCCCC1CCC(C(=O)/N=c2/c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2Cc2ccccc2)CC1 102981446 KASWPIRMNSXNHU-BNIPGBBVSA-N 540.664 5.298 5 40 KKBB COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103520133 AWALKTLCXQTGLT-NGTMZHBCSA-N 571.589 5.585 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 103546622 PSQFWVFXXVDHGV-YGGCMVMVSA-N 541.563 5.451 5 40 KKBB Cc1c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1-c1nc2cc(Cl)cc(Cl)c2o1 105304555 LFIIRYZZLBVJRF-UHFFFAOYSA-N 567.410 7.405 5 40 KKBB CC(C)(C)c1ccc(OCCOc2ccccc2/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 106745500 MVIVQNLTOJFKRE-ITYLOYPMSA-N 532.618 6.587 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 205796361 UQMFSAFPAWLIQJ-LPYMAVHISA-N 579.553 5.853 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224555706 XHYVTMJAFREKIA-JGCGQSQUSA-N 762.112 7.234 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225148658 FTYFIMRQJDEXEW-FCHUYYIVSA-N 631.151 5.093 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 229930940 CELMTJHKWOYMKC-DCMQHHMNSA-N 600.587 5.749 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)cc1 408568657 IEMJGNSDKKFELX-SANMLTNESA-N 631.524 6.964 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1ccc(Cl)cc1 408575843 WYHAGBCOCAMVDB-HSZRJFAPSA-N 549.867 7.225 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2cccs2)cc1 408639991 HAFCANJJLGFHLP-SEHWEYEPSA-N 778.237 6.562 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408677880 CDVXDRKOFUEESV-SNINSWTHSA-N 669.088 5.507 5 40 KKBB O=C1Oc2ccc3ccccc3c2C2=C[C@H](c3ccc4c(c3)OCO4)[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]3[C@H]12 408729300 AUVPFNZLIYHVFU-VRPFKAJPSA-N 594.963 5.652 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733040 DNULZHHDKLORSF-IYVASWNSSA-N 592.073 5.743 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408734857 KQPMAXGLXMCMMA-DDIUQFJASA-N 643.718 5.083 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)c1 408831070 PLCDKDCCBUWOEL-PKYOQBLNSA-N 610.623 5.190 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408838084 RHKHIKXBWABVSB-KMCFWPMWSA-N 637.714 6.217 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)c(OC)c1 408979228 QFYVYFDBEGDZEK-VSQRRKBNSA-N 662.724 5.378 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 408983770 HQPLQYANIUIKDA-PLNPHXOGSA-N 652.128 6.076 5 40 KKBB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 409038166 ORZRSMHHELACKC-STZFKDTASA-N 524.396 5.541 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 409094903 GFYOXVRBDDMIIN-XNOUSZLFSA-N 709.806 5.586 5 40 KKBB CS(=O)(=O)CC[C@H](C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1C(=O)c2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2C1=O 409182143 IJKFTUHZVIQUNX-PSXMRANNSA-N 809.762 6.587 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O 409191761 MOAOGGPPVUIWBY-JKYQMCTKSA-N 677.099 6.846 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409218078 HBWLZNCRGWCYLX-ZVBGSRNCSA-N 602.940 5.771 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)o1 409223685 HPGVEDFIAHITSG-SRZZPIQSSA-N 543.351 5.545 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409328522 WYLAFBTWLAZJAE-SSDVNMTOSA-N 629.401 5.741 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 409345483 ISUJTPFDPAPBSN-MYYYXRDXSA-N 531.590 5.972 5 40 KKBB COc1cc(C(c2c(-c3ccc(C)cc3)n[nH]c2O)c2c(-c3ccc(C)cc3)n[nH]c2O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409374108 XOLCFFFJPJUUKX-UHFFFAOYSA-N 696.558 7.933 5 40 KKBB O=C(CCCCCOc1ccc([N+](=O)[O-])cc1)OCCOCCOC(=O)CCCCCOc1ccc([N+](=O)[O-])cc1 2061000414 HPSKENSAJFXKTL-UHFFFAOYSA-N 576.599 5.185 5 40 KKBB Cc1ccc(S(=O)(=O)Nc2ccc(C(OC(=O)c3ccccc3[N+](=O)[O-])(C(F)(F)F)C(F)(F)F)cc2)cc1 3179199 XDJWAOUGFANZTF-UHFFFAOYSA-N 562.444 5.881 5 40 KKBB O=C(CSc1nnc(-c2ccccc2Br)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 6474766 SCGCXCDZWGKSHD-UHFFFAOYSA-N 510.373 5.336 5 40 KKBB COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9374434 VZHMZZKTCMYZDK-SRZZPIQSSA-N 513.453 5.185 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@H](c1ccc(OC(F)F)cc1)N1C(=N2)C(O)=Nc2ccccc21 13132625 IAAAUSNGMMMLMM-QFIPXVFZSA-N 516.464 5.932 5 40 KKBB C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)OC)=C4C)[C@]1(C)C3=CC=C(C(=O)OC)[C@@H]1C(=O)OC 87520317 ZCQHFRFEJXRZDF-UMBAWLCISA-N 718.807 6.607 5 40 KKBB in-vitro COC(=O)c1c(C)nc(C)c(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)c1-c1cccc([N+](=O)[O-])c1 97978539 JIWNIVBUTXSUBK-UHFFFAOYSA-N 609.723 7.150 5 40 KKBB in-vitro O=[N+]([O-])c1cccc(C2=CSC3=NC4=C(CCC/C4=C\c4ccccc4Cl)[C@H](c4ccccc4Cl)N23)c1 100814431 XVFHCKGPCPGKSI-SCPXBVHZSA-N 546.479 8.881 5 40 KKBB O=[N+]([O-])c1cccc([C@H]2Oc3c(Br)cc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)c1 100816575 ZWRJAGWJJWZENT-RBBKRZOGSA-N 529.188 6.362 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1CCc1ccccc1 100968293 BMNJDFBBKUVKAW-MDWZMJQESA-N 523.330 5.322 5 40 KKBB CC(C)(C)c1ccc([C@@H]2CC3=Nc4ccccc4N(C(=O)CCC(=O)O)[C@@H](c4cccc([N+](=O)[O-])c4)C3=C(O)C2)cc1 101761099 AYKRXZFQSULRAK-KCEHZKJRSA-N 567.642 7.307 5 40 KKBB COc1ccc(CCn2c(-c3ccc(Cl)cc3Cl)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1OC 102581408 DQIVWAIFOLQHIU-UHFFFAOYSA-N 602.268 6.499 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)C(c1ccccc1)c1ccccc1 103629743 XRJJKFOLZZYHOJ-GUPKEBGXSA-N 582.660 5.328 5 40 KKBB O=Cc1ccc(N2O[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 104212518 WTRKPWYNCDOLJM-IARZGTGTSA-N 540.488 6.242 5 40 KKBB O=C(Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1)c1ccc(Cl)cc1Cl 106739117 GFNGVJZRXOGVEO-NHDPSOOVSA-N 529.357 6.357 5 40 KKBB COc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3c(Br)cc([N+](=O)[O-])cc3Br)sc2c1Cl 150477362 QYLCCRLBGASCCI-UHFFFAOYSA-N 613.067 6.445 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 161940813 FGIHCPPRJHIZAO-UHFFFAOYSA-N 636.347 6.922 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3c(Br)cc(Br)cc3-c3nc4ccccc4s3)cc2[N+](=O)[O-])CC1 162371771 VYIWCCFJVWWLSY-UHFFFAOYSA-N 630.362 7.885 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223439001 MVAAUTYWSRRLLU-VCTRWQRLSA-N 642.778 5.653 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 224076442 DGRLAAZLXIJZAG-UIOOFZCWSA-N 551.024 6.106 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)o1 224721867 OBMMEXLQXAYJPH-IOWSJCHKSA-N 578.650 7.536 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225448814 CIGRKDXBKIRCMU-MGBGTMOVSA-N 741.694 6.970 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260970962 MLQGYLDGNGZPNO-VXKWHMMOSA-N 661.177 5.101 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1cccc2ccccc12 408565932 DHKJGGFDXJJEFN-LJAQVGFWSA-N 540.645 6.735 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 408571185 OBXOWTJZWOIDAF-AREMUKBSSA-N 583.508 6.734 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(Cl)cc1 408684217 NAJRIFYVSZWWLM-UHFFFAOYSA-N 601.613 6.398 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408684860 OHMIDHVCRDYGHN-UHFFFAOYSA-N 751.407 7.152 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cccc(Br)c3)c2=O)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408730003 DBARMWPHJHZOAS-QUNTYYFUSA-N 678.561 5.556 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408734862 KRUROKSFIQGTPS-QQMBNGEASA-N 722.614 5.845 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 408755159 PWEOKRPDVPUOHY-WGJPBTIMSA-N 678.679 5.553 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408826028 CDMYICCPTPVRPD-MFCBUNOESA-N 670.513 5.657 5 40 KKBB O=C(CCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1cc(C(F)(F)F)ccc1Cl 409179670 NCHGNNHESBOXFB-UHFFFAOYSA-N 550.873 6.204 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409181048 ZNQJLRNABCQDSC-UHFFFAOYSA-N 591.359 6.534 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409193758 MCGLUTXXPVJOFU-ZJTZAHLKSA-N 755.109 6.908 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)o2)cc([N+](=O)[O-])c1C 409225374 PPCYCKJHEJGYGC-UFFVCSGVSA-N 529.933 5.939 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409271851 DDOKZRHCPQTDOB-MXAYSNPKSA-N 531.977 6.170 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409374442 PSKJNZXTZDIPPX-AFUMVMLFSA-N 561.616 5.783 5 40 KKBB CC(C)N(C(C)C)[P@](=O)(O[P@](=O)(c1ccc([N+](=O)[O-])cc1)N(C(C)C)C(C)C)c1ccc([N+](=O)[O-])cc1 1555513 QYSOTSPLJXOLFZ-FZNHDDJXSA-N 554.521 6.094 5 40 KKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)ccc12 2095626 HVKCJEDTUPVSAT-MHZLTWQESA-N 537.568 5.706 5 40 KKBB biogenic O=c1cc(Cl)c2cc(Nc3ccc(OCc4ccccc4)cc3)c3c(=O)cc(Cl)c4cc(Cl)c1c2c43 8432986 XPQAGTAGVNGXHH-UHFFFAOYSA-N 532.810 8.025 5 40 KKBB O=C1S/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 9232806 YAMMNABAPRGIEU-SSDVNMTOSA-N 515.374 6.717 5 40 KKBB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c(C)cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 16779784 RTFYVWXNAUUPFV-UHFFFAOYSA-N 507.568 5.441 5 40 KKBB CC1=C(/C=C\C(C)=C\C=C/C(C)=C/C=C\C=C(C)/C=C\C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1 32786176 OENHQHLEOONYIE-CPHAUHQWSA-N 536.888 12.606 5 40 KKBB O=C(Cc1cccc2ccccc12)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 39767762 DRWSZOIJKVAHNP-UHFFFAOYSA-N 509.547 5.700 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 59646476 LZMIXBOKIPKFCH-UHFFFAOYSA-N 547.589 5.538 5 40 KKBB C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)CO[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 70692409 MUIYIOFPLUSVHU-MGGICODQSA-N 604.656 6.596 5 40 KKBB biogenic CCOC(=O)c1c(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)sc(C)c1C 97986472 NDDWDIUNRULTLD-FKBYEOEOSA-N 555.996 5.154 5 40 KKBB COc1ccc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc(Cl)cc2[N+](=O)[O-])cc1 102552923 ACLRLJGUEXBKQE-NYYWCZLTSA-N 559.747 5.731 5 40 KKBB C[C@H](NC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 103698163 MAFNTTGKPRINDX-GJZGRUSLSA-N 575.257 6.102 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 106701983 UCIHFSFTJIQWER-CFRMEGHHSA-N 535.534 6.239 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(Br)cc1 108541389 HZGLEXWOXFTISL-ASZNLBCTSA-N 583.507 5.867 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C(=O)N1c1ccccc1I 150415439 WCMTWYVEPIEPRK-DSNGMDLFSA-N 623.428 5.979 5 40 KKBB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)ccc1Cl 150449324 UJRRWDDBCVUTQP-UHFFFAOYSA-N 651.506 5.764 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 163296860 AEOJUFAPDAKBSO-SELCLYCASA-N 711.550 6.699 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 205680217 ZBRGLWFSBOOQEN-YDZHTSKRSA-N 614.430 6.480 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 214471495 PJKKSHSAKFWJOZ-FSJBWODESA-N 598.431 5.620 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222767086 YCQRAGMLKAZXDT-PMERELPUSA-N 734.058 6.453 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223770297 FQCRAUREHADYQE-FNZWTVRRSA-N 552.469 5.455 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224903990 OHYRLWFPFFNCSZ-AREMUKBSSA-N 540.085 5.646 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 261091321 UDNHVUZHBPBTDG-PIKZIKFNSA-N 649.597 5.531 5 40 KKBB COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1 408526788 BFSAVVLMATUQPZ-UMSFTDKQSA-N 634.714 7.078 5 40 KKBB COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408557162 NHAAWGNTBIYQBX-HSZRJFAPSA-N 549.830 6.377 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 408566098 DWFAMZLLGBNDLL-VWLOTQADSA-N 593.920 7.624 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1cccc(F)c1 408568697 IJFRZSNUBCYRRM-VWLOTQADSA-N 557.047 6.764 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F 408570670 LVATXCIMACACTJ-RUZDIDTESA-N 573.046 6.465 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408651568 NLYKAAGRFLNNCA-LQBPYSJUSA-N 573.989 5.312 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408728320 JQZAKEGIUBKTIK-ZSAJNUMDSA-N 685.563 8.399 5 40 KKBB CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]12 408728790 UEWKPOJDRIOYQS-URFUVCHWSA-N 503.352 5.102 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408734170 FCCJOQZRBPHMHQ-PKYOQBLNSA-N 617.680 5.072 5 40 KKBB CCOc1cc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408807166 OJFKMEPHNNGSHJ-UHFFFAOYSA-N 525.006 6.297 5 40 KKBB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408848841 WICSXIVLHGIPFD-GIJQJNRQSA-N 573.797 7.333 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 408998285 ISDIESJCLATQOT-GSASKQFNSA-N 647.709 5.431 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)c2=O)=N1 409031951 IESVTTNVUUTVSI-ABBNRAPFSA-N 651.539 5.049 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409155938 SCHONYGWJMDTIN-ZMOGYAJESA-N 615.586 7.096 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1 409164721 MTHICLWTGHVQMF-RGVLZGJSSA-N 558.366 5.301 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(CNc3ccc(Br)cc3)cc2Br)cc1 409206838 LZJQMLKGXLNHMV-UHFFFAOYSA-N 571.063 7.073 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409235003 ALUUOWAMMROTFI-WSDLNYQXSA-N 632.876 6.273 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409273381 QIHPNGFFDKMSOW-GSASKQFNSA-N 654.789 5.885 5 40 KKBB O=C(Nc1ccc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 3142883 CAIAHTRNZWYVIR-UHFFFAOYSA-N 590.548 7.592 5 40 KKBB CN(c1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)C1CCCCC1 3671393 PYJRIRONSXBYSI-UHFFFAOYSA-N 581.513 8.446 5 40 KKBB COc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccc(OC)c(OC)c5)nc4c3)o2)c([N+](=O)[O-])c1 8903927 QDWAKQNYFBCQPH-UHFFFAOYSA-N 515.478 5.941 5 40 KKBB CCCCCn1c(-c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)nc2c1c(=O)[nH]c(=O)n2CCCC 12530872 NOLIGDBMKNUZTB-UHFFFAOYSA-N 521.643 5.911 5 40 KKBB Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(-c3ccncc3)nc3ccccc23)c2ccccc2)c([N+](=O)[O-])c1 12620215 BNBZEQHIRVHMBG-MUUNZHRXSA-N 518.529 6.050 5 40 KKBB O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274715 CSZJMRFHHXRIIM-UHFFFAOYSA-N 503.609 5.599 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc6n(n5)[C@@H](C(F)(F)F)C[C@H](c5ccc(Cl)cc5)N6)nc34)c12 97948658 TYEULRFKICCMPX-CZUORRHYSA-N 590.969 7.310 5 40 KKBB CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC 97954450 JUHLQQJCOCXAQM-VJGNERBWSA-N 531.565 5.224 5 40 KKBB Cc1c(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccccc3Cl)C3=C(N=4)c4ccccc4CC3)o2)cccc1[N+](=O)[O-] 100140573 CZNSMTDXTYYCJM-OBDCIHEFSA-N 580.065 6.449 5 40 KKBB CC(C)C1=C[C@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@@H]13 100576514 BHKWBTATPFLOTL-OWAVCOQESA-N 520.626 5.610 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 101672301 NNMUSNAJXQOONC-UOWMXVQPSA-N 599.643 6.364 5 40 KKBB CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@]2(S1)c1ccccc1C(c1ccc(CC)cc1)=NN2c1ccccc1 102659654 VDDPEXCTDWMXRW-JGCGQSQUSA-N 577.666 6.670 5 40 KKBB Cc1ccc(-n2c(/C=C/c3ccc4c(c3)OCO4)nc3ccc(I)cc3c2=O)cc1[N+](=O)[O-] 102884221 GFFKEJXFMXCPIS-RUDMXATFSA-N 553.312 5.106 5 40 KKBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 103531260 YYPROOUPLMEMIX-DZDVJMQSSA-N 559.553 5.716 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 104475166 QRSPCOHJQUNJHG-UHFFFAOYSA-N 523.343 5.254 5 40 KKBB CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C(N)=O)C1 105315830 BFJLQRNUNJGPQY-AWEZNQCLSA-N 526.640 5.293 5 40 KKBB O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1)c1ccc(Br)cc1 108583061 CAUWQYOMORFDGZ-UHFFFAOYSA-N 524.356 5.380 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163657454 HQABVWFMCAXUNP-VVNKCDPRSA-N 752.949 6.252 5 40 KKBB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 216526118 FGMMECMVFCEUJT-UHFFFAOYSA-N 580.062 6.278 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222967628 TXGFVFSGXSUOBG-UMSFTDKQSA-N 741.694 6.826 5 40 KKBB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 224851540 PHZPSZHSQJQVAZ-DQEYMECFSA-N 502.552 5.444 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl 224967752 GXVBNHROKUKZJR-DNQXCXABSA-N 505.987 5.620 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 224998444 BSCXZPTVTNUSQC-URLMMPGGSA-N 574.106 7.317 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225540879 ILDGZJKSBCHJGV-WNCULLNHSA-N 659.205 5.791 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(F)cc1)[C@@H]1CCCN12 408563882 BJGMEQJJUBCYIQ-TUPPOGIXSA-N 552.400 5.222 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408681672 IDLWIVVKKUBXJJ-UHFFFAOYSA-N 618.054 6.825 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408735256 OZVFOTCVYRGQTJ-FZEVDNDPSA-N 783.610 5.976 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408910537 INZTZZHJZWOEPL-JESJEVRBSA-N 913.528 7.031 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409039441 WPFMHBYCQVRDSE-IVRZUQNJSA-N 801.068 5.652 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409041275 UKPSFEYYIKYINB-OCDQFKQQSA-N 769.614 5.686 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 409084157 ABVWCHSQPOGYRI-NULZLWRNSA-N 627.078 5.704 5 40 KKBB Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)c2)cc1 409177582 AMLUMRWHRVYUIE-UHFFFAOYSA-N 544.947 6.641 5 40 KKBB Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc(Cl)cc4)cc3C2=O)c([N+](=O)[O-])c1 409181151 XXLFSMBLUXAMJD-HHHXNRCGSA-N 554.942 6.138 5 40 KKBB O=C(COC(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409182479 LPJIGHVZYRORIK-UHFFFAOYSA-N 542.935 5.873 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1 409272419 GQVRVCQCOCNMPB-OYKKKHCWSA-N 552.992 6.145 5 40 KKBB COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)nn32)cc1 2249756 RWSWYQPGBLNYNC-YGXWHOHRSA-N 528.956 5.556 5 40 KKBB CCCCn1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 3267556 WOAPHIDOTYZUEL-WUKNDPDISA-N 555.616 5.778 5 40 KKBB COc1c2c(cc3c1[C@@H](CC(=O)[C@H]1CC[C@H]4[C@@H]5CC=C6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]14C)[N+](C)(C)CC3)OCO2 70672469 ZZXJOMSIUOUAHV-JBOMIKOYSA-N 550.760 5.997 5 40 KKBB biogenic O=[N+]([O-])c1cccc(C2=NN(c3nc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cs3)[C@@H](c3ccc(F)cc3)C2)c1 97966074 AWSXJYQYMKLULM-MUUNZHRXSA-N 591.690 6.388 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@H]1c1cccs1 97983820 BKOYERJOPBZSCY-OQFQRAQBSA-N 534.663 5.991 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)c1ccccc1C(c1ccc(C(C)(C)C)cc1)=NN2c1ccccc1 101406730 TWQDCCNMLMMNQD-MGBGTMOVSA-N 575.694 7.431 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 103557034 TWEYRJRCWKGVMN-HEFUCBFLSA-N 585.572 5.180 5 40 KKBB CC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@]2(S1)c1ccccc1C(c1cccc3ccccc13)=NN2c1ccccc1 103757315 LPKRBOTXHKLAAH-JGCGQSQUSA-N 586.633 7.626 5 40 KKBB Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1 113563313 ZZOJCORRJXOLKZ-NUYBPMMJSA-N 606.660 5.737 5 40 KKBB O=C(Nc1nnc(CCSCCc2nnc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)s2)s1)c1ccc([N+](=O)[O-])c(Cl)c1 163621583 XZFIDOFWKCHUSV-UHFFFAOYSA-N 655.527 5.536 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccc(I)cc1 215213638 AEZRHOQZUKFZSM-UFFVCSGVSA-N 705.246 8.010 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222595457 PCNLXXHGEYMALA-JGCGQSQUSA-N 663.196 5.856 5 40 KKBB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 224351394 AWHLQNRDGNORLO-UIOOFZCWSA-N 500.580 5.998 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224772405 WKTHRDRBLACAID-YTTGMZPUSA-N 628.751 5.263 5 40 KKBB COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224966747 OOXMDPPTZPCARE-QHCPKHFHSA-N 687.215 5.635 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1OC 225195863 HCBKHLGOUAMSMR-RRPNLBNLSA-N 542.621 5.315 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225429942 PPHWKHCMSUFAFM-PMERELPUSA-N 685.641 5.521 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1 408574075 UOTFQMIZXNLZBX-AREMUKBSSA-N 647.979 7.478 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(C)cc3)cc2Cl)cc1 408576546 XRHGADBQAIGIOP-XMMPIXPASA-N 543.476 7.188 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)O)o1 408631921 HEQKDKKOUKYPHL-JAIQZWGSSA-N 529.914 5.793 5 40 KKBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1 408632393 FLJCOMPCBYBPTB-FYJGNVAPSA-N 525.995 6.976 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408638712 DDULAOKSKPQNOZ-WVZRZZCNSA-N 720.991 6.588 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 408720528 SYXDGXYAGGCJTK-OREYSHIXSA-N 506.558 5.701 5 40 KKBB Cc1cc(Br)ccc1-c1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1cccc(C(=O)O)c1)C2=O 408758045 USHAZFMQUORSLD-UHFFFAOYSA-N 531.318 5.985 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408769912 QLPYCKXYKLJTDH-MIUGUJGPSA-N 644.934 6.903 5 40 KKBB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 408818399 VJPQZWCHMQVLQQ-UISCDOJWSA-N 523.034 7.562 5 40 KKBB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCC6)cc3[N+](=O)[O-])sc2c1 408988804 FYVLRLDTJVBFHC-ROUUACIJSA-N 643.772 7.291 5 40 KKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 408993689 FAWBAURZABSPOQ-UHFFFAOYSA-N 544.405 7.288 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 408996933 FMNYUXBULADRED-PRLWALMFSA-N 664.534 5.057 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409033171 NHKQRVFUURZHAK-RIFKOAFWSA-N 766.667 6.243 5 40 KKBB CCCCN1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409060096 SPQODMOFXPKEBC-WQRHYEAKSA-N 664.259 6.219 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(s/c(=C/c3cc(I)c(OCc4cccc5ccccc45)c(I)c3)c2=O)=N1 409078752 CVNQVHFQERNSMH-SOJUGJLBSA-N 871.491 7.036 5 40 KKBB Cc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1C 409114819 QLCJUPMNLPXWPE-UHFFFAOYSA-N 520.221 6.928 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CC1CCCCC1 409122919 CLFQVBYPKNHKPZ-LPYMAVHISA-N 531.428 6.553 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(Br)cc1 409170158 UBDGJPRWNIETAU-UFFVCSGVSA-N 701.271 7.606 5 40 KKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)c1 409180912 UPXUXAZYKYOWIG-UHFFFAOYSA-N 573.355 6.307 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409190340 XFHBDTKVFDBDLK-YUEMOGKHSA-N 795.343 7.732 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 409274519 OWMYKIAEMNBOGD-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc([N+](=O)[O-])cc4Cl)o2)N3)C1 8920794 ARQISLFCDLMEBJ-XMHCIUCPSA-N 500.020 7.540 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 22840448 MYDQVJIHEDYAEG-UHFFFAOYSA-N 515.957 6.837 5 40 KKBB Cc1cc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)ccc1[N+](=O)[O-] 32112006 NOUKGUSFQSTPEU-UHFFFAOYSA-N 516.966 6.645 5 40 KKBB CC1=NN(c2ccc(F)cc2)C(=O)[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(C)nn(-c2ccc(F)cc2)c1O 100962857 MMXKQJJYLUXMNE-ZCYQVOJMSA-N 517.492 5.244 5 40 KKBB CCOC(=O)c1c(-c2ccccc2)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 102628967 XVSOBEYVFKVIBF-UHFFFAOYSA-N 621.023 7.232 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)cc1 111469414 HPTTWIIYPYLLJZ-POKSHJSXSA-N 621.671 5.421 5 40 KKBB COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)c(Oc2cc(C[C@@H]3c4cc(OC)c(OC)cc4CC[N+]3(C)C)ccc2OC)cc1OC 150388065 XCLBDNOYLJKGLS-KKLWWLSJSA-N 728.927 7.372 5 40 KKBB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 224351539 AWHLQNRDGNORLO-CLJLJLNGSA-N 500.580 5.998 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224805258 KYVMAWBXAZTYOU-UMSFTDKQSA-N 672.804 5.580 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 225174982 JCHWLXBITAYJIK-SVBPBHIXSA-N 527.606 6.084 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225710176 FXCXDTHYFYPRMS-VWLOTQADSA-N 631.151 5.093 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408568069 HNADXTQXHSLVKU-VFICKSILSA-N 586.870 5.648 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1 408571584 PCSMGCNOSSPRJP-SANMLTNESA-N 504.612 5.972 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 408571913 PWDZBVSOUUOCNL-RUZDIDTESA-N 559.475 6.970 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 408573624 TYURWUGQACXBRV-DEOSSOPVSA-N 600.451 5.944 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1)c1cccc([N+](=O)[O-])c1 408636764 BVFKHNPLTYIDKM-NRFANRHFSA-N 510.502 5.319 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408648448 WKZHOYLBVXUWPQ-UHFFFAOYSA-N 871.514 8.627 5 40 KKBB O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408766575 CZOHSEPQXBKYSR-HWMKKPCCSA-N 679.379 7.556 5 40 KKBB COc1cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408809884 SLHFWOGSHIAUFX-RYDRQCMWSA-N 558.680 7.236 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408829959 QQVPOCRWMKHYOB-ASZNLBCTSA-N 587.654 5.064 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408920170 HYEUAGHVFIYBOH-MFCBUNOESA-N 589.695 5.385 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408935625 GGAQWDWMAKCGSQ-SOJUGJLBSA-N 722.614 5.844 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C)o1 408992169 ZVVQAJIFGIQYII-WNBZBHRJSA-N 632.876 5.284 5 40 KKBB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O 409012752 KKXIHXLVNDCWSU-RNDVCUHJSA-N 521.389 5.780 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409094866 GCKBVEYCQAJCEI-VXLYETTFSA-N 507.362 5.391 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409188065 FPIULRIOAWKKOI-CIAFOILYSA-N 531.373 6.730 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409201334 LOQJEVMIPHJTPB-SRZZPIQSSA-N 575.824 6.839 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409276366 QFKILLSGXQGEBM-YSMPRRRNSA-N 575.599 5.239 5 40 KKBB C=C/C=C(\C=C)[C@H](CCN(C)CC(C)(C)OC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 936069039 YKEREWIYGUSPGG-RDXBQBNISA-N 613.755 6.729 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 3319278 DVJMKHZBTKHYHE-MRXNPFEDSA-N 550.662 5.752 5 40 KKBB O=c1c2ccc3c4ccc5c(=O)n6c7ccccc7nc6c6ccc(c7ccc(c(=O)n1-c1ccccc1)c2c37)c4c56 4016077 OWAXWVWTSHSTDV-UHFFFAOYSA-N 539.550 6.591 5 40 KKBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(C)cc2Br)nc2cc([N+](=O)[O-])ccc21 6016936 FXDGMMIMOIWPDR-UHFFFAOYSA-N 527.400 5.744 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 36006806 FIYSBLSOTYOTCA-PUHABZHSSA-N 515.525 5.146 5 40 KKBB O=C(NN1C(=O)c2cc(I)ccc2N[C@H]1c1ccc([N+](=O)[O-])s1)c1ccc(OCc2ccccc2)cc1 98045867 YMIZJILEGASLMX-XMMPIXPASA-N 626.432 5.751 5 40 KKBB O=[N+]([O-])c1ccc(C2=NN(c3nc(-c4ccccc4)c4cc(Br)ccc4n3)[C@H](c3ccccc3Cl)C2)cc1 100814410 JWWAJIIEXINAQD-MHZLTWQESA-N 584.861 7.977 5 40 KKBB CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OCc1ccccc1 101519653 SEYMZTBNRWSFSB-OCBJUFRSSA-N 565.582 5.624 5 40 KKBB COc1ccc(OC)c(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 101674084 MADWQJQPOQQSHX-CXNUKBDRSA-N 601.615 5.594 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@@H](OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)sc2c1CC[C@@H](C)C2 103100777 YKOQWNOSOANRTO-GYCJOSAFSA-N 552.605 5.503 5 40 KKBB Cc1ccc2c(c1)N1[C@@H](C(=O)c3ccccc3)[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]1C=C2 103548695 SETJNAPNEKCWEW-CDACFMRSSA-N 555.590 5.759 5 40 KKBB O=C(COC(=O)c1cc(-c2ccccc2)nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc12)c1ccc(Br)cc1 103770261 LPDZKWXOHCMRFB-UHFFFAOYSA-N 536.294 5.520 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccccc1F 106727251 CEKUYDRVMROSKU-QRVIBDJDSA-N 587.423 6.711 5 40 KKBB O=C(Nc1cccc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 150484952 AAQQQTOZXXZUKP-WAWVYTBHSA-N 637.630 5.337 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)o1 152151441 UJEATFBRNLNGFN-UAMLYEQYSA-N 640.515 6.258 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 198310617 BGIGLADUCIVWTP-UHFFFAOYSA-N 634.614 5.248 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc2ccccc12 205702993 TXLVIJQSCVJKFI-JVWAILMASA-N 666.493 7.567 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223152267 MWABWGIVLKKISJ-XIFFEERXSA-N 658.777 5.192 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223820708 NGHSDBMXKGUUJC-NFQMXDRXSA-N 635.570 5.222 5 40 KKBB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224709029 FFCCNSCPPCKWMM-NRFANRHFSA-N 643.560 5.029 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 408571666 PLPGVQYXZKJVGV-SANMLTNESA-N 583.508 6.734 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408577767 ZUGCMDCFXDZTMX-WEODBFKCSA-N 621.315 6.302 5 40 KKBB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)cc2)c1 408641071 JMDCTCUYDZXOOJ-UHFFFAOYSA-N 895.105 7.409 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 408647731 VLNLJBTUQSPEPV-UKILVPOCSA-N 636.444 5.702 5 40 KKBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 408648160 JSCUPRLTEKTTHW-ROXHIOCOSA-N 585.616 5.424 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408650317 MIAMCFKOMJAKQP-MFTWVQLTSA-N 694.656 6.428 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(Cl)cc1Cl 408680356 GDZQLRSLJSTQDB-UHFFFAOYSA-N 636.058 7.052 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc([N+](=O)[O-])cc1 408685996 QUPKRFTUHSSMJS-UHFFFAOYSA-N 612.165 5.653 5 40 KKBB O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 408710499 WRGFCULAOWQRHJ-KNTRCKAVSA-N 591.605 6.237 5 40 KKBB COc1cc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408726101 PCBHULZMPSMASN-UHFFFAOYSA-N 551.599 5.199 5 40 KKBB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408782250 GDHJXPUQRBMYJU-KLKBWYFJSA-N 584.492 6.497 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408832726 ZUIWQSZNUJYHMV-AFHVAHMMSA-N 638.407 5.816 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408993073 BWSSWLNLOZWUQF-LKWZWFHSSA-N 648.535 5.435 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409095656 IEYMZGGRGZYOAJ-MRWVFDTMSA-N 640.165 5.668 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c2)cc1 409180545 WVCWJWMFGOWDQZ-GDLZYMKVSA-N 536.584 6.926 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409331873 PCFCMEMQYCRRNW-FOKLQQMPSA-N 724.327 6.225 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409387939 YURSKGPAMBGMSR-FOKLQQMPSA-N 617.430 5.951 5 40 KKBB O=C(Oc1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 1858993 IMKONSUJWMBMGT-UHFFFAOYSA-N 566.114 5.466 5 40 KKBB Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1 2150161 DDWNKEWOBBYLQU-NDEPHWFRSA-N 552.608 5.231 5 40 KKBB biogenic O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 2322509 ARFPDNHPVKDBPQ-YGGCMVMVSA-N 541.563 5.451 5 40 KKBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 15906541 FOJYMTBFVIMQLD-WRSGHTTQSA-N 518.476 6.218 5 40 KKBB COc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3N3CCN(C(=O)C(C)C)CC3)o2)c([N+](=O)[O-])c1 20412584 VDXYOOUIGCJNOY-UHFFFAOYSA-N 526.977 5.074 5 40 KKBB C[C@H]1C[C@@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2N1C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 33353891 KGWGLPOUBLASOV-IABYTQIASA-N 588.620 5.793 5 40 KKBB COc1ccc(C[C@H](C)N(CC(=O)c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Cc2ccccc2)cc1 71257462 GYWPAIAUFMGISM-DEOSSOPVSA-N 524.617 6.499 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@H]1C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)N(c2ccc(C)c(C)c2)N=C1C 100044339 XUWLGTGIHPXLNS-VSGBNLITSA-N 537.620 5.990 5 40 KKBB CC[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)CSc1nc2cc(Br)ccc2c2nc(=O)c(-c3ccc(F)cc3)nn12 101875673 DUARVHFODVKPHC-YZQOHXRLSA-N 582.499 5.239 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12 103551436 LRNYNWZTGLBQKI-BYBRNZAOSA-N 582.037 6.166 5 40 KKBB O=C1CS[C@@]2(C(=O)N(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c3ccccc32)[C@@H]1c1cccc(Cl)c1 104161924 DMCKDAMGSRUZGA-ISKFKSNPSA-N 532.927 6.109 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1cccc(OCc2ccccc2)c1 105303717 UHCSJHGOFHAYGL-UHFFFAOYSA-N 559.692 5.001 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 150368678 LPIKVPSJKZMEFW-JGTYQCAFSA-N 628.888 5.382 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223816122 JSPIXBDORVHTAE-AFMDSPMNSA-N 542.463 5.999 5 40 KKBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223909796 IUUNYKLMZNZKIF-FQEVSTJZSA-N 633.554 5.573 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224137348 CLLXNUPSQKMFNE-NRFANRHFSA-N 675.602 5.202 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224743327 QNIWQOOOSIYVOR-VWLOTQADSA-N 636.771 5.282 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(F)cc4Br)o3)cc2)cc1 224788783 CCUFLJUZAFXSKW-VMPREFPWSA-N 647.551 8.480 5 40 KKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224839083 KHQBNEZQDDJGKG-UHFFFAOYSA-N 517.991 5.028 5 40 KKBB CC1=C(/C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C\C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)CCC1 256116076 DMASLKHVQRHNES-URDOTEDWSA-N 552.887 11.577 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260915019 RISCAWRBPNIBBU-OAQYLSRUSA-N 665.596 5.603 5 40 KKBB COc1cc(CNc2ccc(Br)c(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408556778 KKQIULNDVWKRLA-UHFFFAOYSA-N 531.712 7.443 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Br)cc3)c(Cl)c1)[C@H]1CCCN12 408563840 BDEIMUKMDCZMHZ-AWTIUKJOSA-N 568.855 5.736 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1F 408572988 SAVFKNXXRBOGHU-AREMUKBSSA-N 522.602 6.111 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)O)n[nH]2)c1 408631900 HCKLWLHCOLNALX-MTJSOVHGSA-N 508.512 5.183 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408640080 HESJYUXJONBFAS-UIOOFZCWSA-N 601.999 5.049 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Cl)cc1Cl 408678811 DDRSJPBLJYQCMB-RAWLKHAVSA-N 626.452 6.034 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408679999 FTSQBGHXFCPUEG-TUSFPTNYSA-N 658.536 6.252 5 40 KKBB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]12 408728789 UEWKPOJDRIOYQS-PJYWLYPCSA-N 503.352 5.102 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408849881 AFHCBYPLQBPZDP-VMCUCKNMSA-N 646.725 5.760 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408917478 VHCCZWLGUROAOM-LSHDLFTRSA-N 579.845 7.379 5 40 KKBB COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409042494 XRGFPCLCKAUBKU-BKUYFWCQSA-N 601.422 5.391 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409123615 HQTNVDUDBTZDBB-LPYMAVHISA-N 608.454 6.404 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409148166 XMUYYDZYKFJGHE-QFIPXVFZSA-N 565.681 5.188 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409149774 QLZKEDFPVLIQBO-JVWAILMASA-N 649.638 5.206 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cccc(OC)c1 409189355 JXUJCGPTMFXCKS-NNAGEYCMSA-N 717.229 5.798 5 40 KKBB Cc1cccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)c1 409191800 NOZSJUUPBOZVAA-ANXWUVDLSA-N 612.230 6.392 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409239810 QPSXBWGGGZUZCY-DEDYPNTBSA-N 506.964 5.299 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(I)cc1 409267928 WZDFCVBPTNMLSU-UKWGHVSLSA-N 827.167 8.211 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409271396 CIXJEPJGACNJJG-WYMPLXKRSA-N 569.542 5.526 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 409335250 KOHPTUHCMLZNQW-TZUCAZQYSA-N 785.613 5.306 5 40 KKBB Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2SCc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1 3328942 SUUJIWJFLOCJDH-UHFFFAOYSA-N 538.629 6.695 5 40 KKBB O=[N+]([O-])c1cccc(Cn2nc(-c3ccc(Br)cc3)cc2-c2ccc(Br)cc2)c1 13960591 DQMCFQHJGGTSRB-UHFFFAOYSA-N 513.189 6.699 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@H]1C(c1cc([N+](=O)[O-])ccc1O)[C@H]1C(=O)N(c2ccc(C)cc2)N=C1C 16292761 YJYOGLFWUVHCQS-ZVBBVAIHSA-N 525.565 5.079 5 40 KKBB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2)Nc1cccc(Br)c1 97979013 SYLHVYWUPUXHLZ-CYVLTUHYSA-N 572.415 6.578 5 40 KKBB Cc1ccc([P@@](=Nc2cc([N+](=O)[O-])ccc2Br)(Oc2cccc(Br)c2)C(C)(C)C)o1 97983418 CXGIHEXCNSVYDF-SSEXGKCCSA-N 556.191 7.972 5 40 KKBB CC(C)(c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 100497114 TYWNLYBMTOVIKR-UHFFFAOYSA-N 616.495 6.084 5 40 KKBB O=c1oc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccc(Cc3ccc4nc(/C=C/c5ccc([N+](=O)[O-])cc5)oc(=O)c4c3)cc12 100525898 XCRVUJANIPDKIH-BGPOSVGRSA-N 600.543 6.437 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)SC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccccc12 102890952 JBFMTCIQWXOVAM-LJAQVGFWSA-N 592.529 8.207 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 105223140 VOGBHZUNVRZITC-UHFFFAOYSA-N 538.988 5.817 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 215943520 BXLAYSJAYYNHAF-SSEXGKCCSA-N 594.089 5.975 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223530842 RHVFECYNXRQJDH-RXFWQSSRSA-N 554.043 5.190 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223646397 JAMMMTNSCJRYEQ-SSEXGKCCSA-N 669.587 5.873 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223918884 KPCGVHHUNHNVOF-NRUKRWIHSA-N 697.641 6.652 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224112843 SYYCIBXLDGADOL-HHHXNRCGSA-N 519.667 5.303 5 40 KKBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224822587 QORCNQRIJOVQCZ-HHHXNRCGSA-N 519.667 5.301 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225150910 RSVGSKLEWVTDJA-QFIPXVFZSA-N 631.151 5.094 5 40 KKBB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1OC 225305871 FHYKPBALKUTDLJ-KAYWLYCHSA-N 559.604 5.020 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 225372157 OMYTWIIWMRHBDT-NDEPHWFRSA-N 517.601 5.365 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225420421 MBVAOJVAQYGGKE-UMSFTDKQSA-N 733.685 6.642 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 225749263 GIDYLDXQBCOMPM-XIFFEERXSA-N 642.778 5.511 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)cc1 248154987 LFXOAIZPQLAAIT-YRAGKPRHSA-N 555.590 5.885 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260896612 NIFQZASTMCQZBH-HXUWFJFHSA-N 700.041 6.257 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260906903 FJOOFSAAAWPNRL-GOTSBHOMSA-N 645.178 5.135 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc2ccccc12 408557495 NXGDFORCXHHPLE-UHFFFAOYSA-N 554.384 6.942 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 408565086 BDJYXDDGRHDGDB-SANMLTNESA-N 520.611 5.590 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408565670 LRFPMOMNMOKXBZ-ZNCVFPSASA-N 572.843 5.212 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 408572042 QMRVHLASJMXQRW-QHCPKHFHSA-N 546.983 6.205 5 40 KKBB CCCC[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408690793 WRVYFAKAGPUOCG-GFCCVEGCSA-N 577.204 5.545 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c2=O)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729927 FFWLUWOSDKBFSL-BBTSICJMSA-N 721.788 5.991 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408825514 CUTKAZTXIDUGRI-CTHKJOMYSA-N 641.677 6.048 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1 408927658 RFEFTMHGNOJKAG-DGBHDHARSA-N 684.774 6.164 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccccc5F)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408933509 BBTBIUQOXVZPGL-ILLSWNIOSA-N 712.550 5.204 5 40 KKBB COc1ccccc1NC(=O)COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409138987 KUMUBIDYQKAWQU-BHVANESWSA-N 628.685 6.982 5 40 KKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409154834 HNWJYTNGEWDINZ-UCQKPKSFSA-N 503.536 5.157 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 409175782 USDRKOFCRNFWHD-YDZHTSKRSA-N 564.532 5.369 5 40 KKBB Cc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1N1C(=O)c2ccccc2C1=O 409179528 PQKZDGRVASEGMV-UHFFFAOYSA-N 508.486 5.853 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409192363 BFPXSDINMNFEAG-GJKZIJEQSA-N 745.283 6.578 5 40 KKBB CCN(CC)C(=S)SCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 409337866 YCXLSSBGXDHBFN-UHFFFAOYSA-N 549.725 5.234 5 40 KKBB COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(Cl)cc2)cc1 1848998 GBSUGDHCSMCDMX-LJAQVGFWSA-N 590.043 7.546 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1C(F)(F)F 2759123 CNYRCXJMDKQJCV-UHFFFAOYSA-N 528.226 6.316 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)cc1[N+](=O)[O-] 4089569 RNAVLWFBEQMOFH-UHFFFAOYSA-N 506.540 5.251 5 40 KKBB Cc1nc2sc(C(=O)c3ccc([N+](=O)[O-])cc3)c(N)c2c(C)c1CC(=O)c1ccc(Br)cc1 8456690 KPWZHDKOKVJMID-UHFFFAOYSA-N 524.396 5.822 5 40 KKBB O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 12376329 KWPFOGHUMQSHES-UHFFFAOYSA-N 503.647 5.050 5 40 KKBB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 32967231 LNVMERNJPZMIRT-FQEVSTJZSA-N 519.545 6.315 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 49762504 DEXURNNEZQWOMA-UNDLXJOSSA-N 564.663 5.122 5 40 KKBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 59882127 RMPLHEYVBCOZRY-UHFFFAOYSA-N 526.423 5.574 5 40 KKBB O=[N+]([O-])c1cccc(-c2csc(NP(=O)(/C=C(\Cl)c3ccccc3)/C=C(\Cl)c3ccccc3)n2)c1 96022217 ASHJIQWIEXLXKS-OZKZUFLSSA-N 542.384 8.883 5 40 KKBB O=C(c1ccccc1)c1ccc(SCCSc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 100984996 WSPASLYYZOFZAT-UHFFFAOYSA-N 544.610 6.849 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccc(Cl)cc3)cc12 102629009 CEZSPIYKYRQANT-UHFFFAOYSA-N 542.953 5.515 5 40 KKBB CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1 103100011 NQUSSRJWGCTGKG-RMKNXTFCSA-N 549.388 6.002 5 40 KKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105313775 NBMZMCKLFAKTAB-UHFFFAOYSA-N 557.680 5.878 5 40 KKBB CCCOc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 106745324 HBGTXJIYTCRFCK-UNOMPAQXSA-N 521.389 5.781 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223693772 MGNFPCDXTPYZCG-PMERELPUSA-N 669.587 5.873 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Br)cc4)o3)cc2)cc1 224786242 LIKVSGQYZSJTGA-VMPREFPWSA-N 629.561 8.341 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 224975624 ZJKZDUSKNUSGGS-ZEQRLZLVSA-N 506.971 6.089 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225545266 MVXWUNCZLWLZBA-YTTGMZPUSA-N 707.647 6.109 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)o1 225656542 FWWGZTHMXXIBGV-IZLXSDGUSA-N 557.632 5.568 5 40 KKBB COc1cc(CN(C(C)=O)c2ccc(N3CCOCC3)c(C(=O)O)c2)ccc1Oc1cc(C(F)(F)F)ccc1[N+](=O)[O-] 408566676 OIHVKOOZZXORIJ-UHFFFAOYSA-N 589.523 5.502 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl 408574434 UUXUSRKFODUGSE-RUZDIDTESA-N 617.953 7.388 5 40 KKBB O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408657731 NMNJUOVBYOZAGB-QXUFZFKLSA-N 633.871 6.703 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 408696282 ZFLCQZALZMXSLA-UHFFFAOYSA-N 533.169 6.164 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733959 TVHUVTGVSRCVSH-OCDQFKQQSA-N 793.490 7.379 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735840 YJKHCUXXINOBPC-DDIUQFJASA-N 643.718 5.083 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)c1ccc(C2CCCCC2)cc1 408748928 CSNLOIABBKWNSL-UHFFFAOYSA-N 557.653 7.028 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 408769179 LOTWQDBPMOQJJE-CBYYHRJHSA-N 626.112 5.009 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408834519 UMAUCQGCHORZPT-ZJTZAHLKSA-N 713.006 6.100 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408916329 BZHHOKAFLYLQNO-YDZHTSKRSA-N 569.979 6.371 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccc(OC)c1 408998279 ISDIESJCLATQOT-GOQPZEPVSA-N 647.709 5.431 5 40 KKBB O=C(Nc1ccccc1Br)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409089825 KJKLJSWWLMZWJL-UHFFFAOYSA-N 524.374 7.492 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1 409153937 JHSLTMVJMAZOIQ-SRZZPIQSSA-N 556.350 6.294 5 40 KKBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 409176916 AWHUIAAFGFTHSL-UHFFFAOYSA-N 501.516 5.134 5 40 KKBB Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c1)C2=O 409184526 YUDQSEZRWMMHQL-UHFFFAOYSA-N 559.534 6.401 5 40 KKBB O=C(/C=C/c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O 409188626 IGKCTDAKHGMJAG-ORAUUZGKSA-N 632.648 6.737 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1 409273204 JCDFHKAWPQVBNG-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1cccc2ccccc12 409273565 JXXNLHUWGVJVMF-AFUMVMLFSA-N 593.539 7.234 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]32)cc1 409337196 YNKFAKUPNVCMIB-LQBCTSRJSA-N 560.562 5.587 5 40 KKBB O=C(O[C@H]1OC(COCc2ccccc2)=C(OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 1560405386 UMFOTMXQRKMRKJ-CQTOTRCISA-N 567.594 6.339 5 40 KKBB COc1ccc(-c2cc(-c3nnc(COC(=O)/C=C/c4cccc([N+](=O)[O-])c4)o3)c3ccccc3n2)cc1OC 2622469 MBZLUGYFIPKYMJ-JLHYYAGUSA-N 538.516 5.634 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12 8440585 MDZGFSVMARIPPO-UHFFFAOYSA-N 638.400 7.619 5 40 KKBB O=C(c1cccc2c(Br)cccc12)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 33579076 RSKFROZFRFENML-UHFFFAOYSA-N 523.431 5.463 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 59646798 UJGTXZQGAFJNAK-UHFFFAOYSA-N 558.827 5.706 5 40 KKBB COC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 96022153 XTQULGORYMZMSI-UHFFFAOYSA-N 574.040 5.463 5 40 KKBB O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)/C(=C/c2ccc(Cl)cc2)CCC1 97984877 BICZCMDTWUFBLU-ZIHKIDLISA-N 574.489 6.698 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 103750452 KKWUTUAMWIRBRB-FUFNRSNVSA-N 571.655 5.398 5 40 KKBB COc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl 105315026 VUUPXNXQJNHLCU-UHFFFAOYSA-N 554.028 5.236 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2)cc1[N+](=O)[O-] 106688436 UXLXFIFWXMBGJD-UUYOSTAYSA-N 544.994 5.561 5 40 KKBB Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3Cl)nc2c1 112240678 MYYAPMZLVNAWBQ-UHFFFAOYSA-N 552.012 5.328 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 150473102 MQIOIVLVBRQDCM-KMBIYUNPSA-N 626.543 6.165 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 163759813 YLVYHSFQGDTVHW-MFCBUNOESA-N 636.524 5.852 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1 164514749 FEOQBBXRPNYAGZ-JOHYPREOSA-N 647.709 5.431 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222755096 CGODORGCBMRVNX-MHZLTWQESA-N 537.657 5.379 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222975032 BJKSZALBAYJCOH-NDEPHWFRSA-N 649.597 5.388 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223516155 RBVXHSVPLUOLGQ-HHHXNRCGSA-N 679.623 6.136 5 40 KKBB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 225360060 KOVNHBYBTZKJMB-CLJLJLNGSA-N 500.580 6.214 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 408570900 MGLGPZUCQHFSLZ-MHZLTWQESA-N 534.638 5.981 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)O)o2)c1 408631779 GJUHZOWOJXBFIV-JAIQZWGSSA-N 529.914 5.793 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408653444 PUUGDKMKSSNNDU-CPAHJZNRSA-N 573.989 5.312 5 40 KKBB CCCNC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)NCCC)c3cc12 408720737 XTBWTMWLIKKSOJ-UHFFFAOYSA-N 502.618 6.397 5 40 KKBB O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408750827 SEPWTMWWXYYLLI-UHFFFAOYSA-N 510.509 5.356 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 408837482 GMWBGPVTUYFWRC-QARYAGPDSA-N 638.496 5.046 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 408994882 HMDSWTCHMGUHEM-FUZBLHKMSA-N 707.830 6.543 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 409148044 XWIIENVCLHAXKB-SVXDAGRPSA-N 679.780 5.410 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c(C)c1 409177565 ACZXLNKMOSKWOA-FSJBWODESA-N 571.533 6.698 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409178786 IIOROFGLXQNHAG-DYCDSJFESA-N 668.555 5.909 5 40 KKBB Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1Cl 409178914 KGLVFSVACPHZFX-HHHXNRCGSA-N 554.942 6.138 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 409194115 MYNCPVWIXSEEPY-AWQNYARGSA-N 737.603 5.678 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)N1CCN(c2ccccc2)CC1 409199149 HGXOYYGUKNRKRB-PCLIKHOPSA-N 612.586 5.791 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1cccc2ccccc12 409273804 SVRXRAAXKOEQAK-AFUMVMLFSA-N 570.539 6.124 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409332871 RZOGBPMPDWISSC-VULFUBBASA-N 606.613 6.492 5 40 KKBB COc1ccc2c(c1)[C@H](Cc1ccc(Oc3ccc(C[C@@H]4c5cc(OC)ccc5CC[N+]4(C)C)cc3)cc1)[N+](C)(C)CC2 1766810 KXQIJKZGDDACRA-MAZIBIHTSA-N 578.797 7.329 5 40 KKBB COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])o2)cc1 3200268 JRCPJVMCFGUVGO-HHHXNRCGSA-N 545.559 6.486 5 40 KKBB C[C@@H](Nc1cc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)ccc1[N+](=O)[O-])c1ccccc1 9892482 VFHLYEOMSLXLPM-GSSZYLCVSA-N 502.659 6.023 5 40 KKBB COc1cc(NC(=O)COC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)c(C)cc1[N+](=O)[O-] 15910500 QXAVKQXBINJRFN-UHFFFAOYSA-N 503.433 5.470 5 40 KKBB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59331652 OAJYJCYRVZYCDK-UHFFFAOYSA-N 521.565 5.331 5 40 KKBB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100214731 FFSZRKDAWMVCTB-UHFFFAOYSA-N 564.476 6.621 5 40 KKBB COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 100278050 YAHIXFYTHDCDNV-UHFFFAOYSA-N 572.260 5.379 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](c5ccccc5)C4)[C@H]3C2=O)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 101974383 LEJPFFYPVREWFB-DMROZOERSA-N 616.626 6.356 5 40 KKBB Cc1ccc(N2C(=O)[C@@H](c3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1C 102609688 XZAZIBRNSBYXEZ-IGYGKHONSA-N 593.481 7.699 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccccc1Cl)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 103542469 PWVRXKYEONVPMP-CLWMVSBGSA-N 590.035 6.494 5 40 KKBB CCCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4cc(Br)c(O)c(OC)c4)[C@H]3C2=O)cc1 105796337 DUUSPZHFETZJQF-RMTZWNOUSA-N 612.433 5.302 5 40 KKBB C[C@@H]1N(C)c2cc3c(cc2C1(C)C)[P@@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)OC(c1ccco1)=N3 195529180 JWPDOGMRBRYFKW-IQWFEWCLSA-N 614.437 6.495 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225231855 IQDGXGVRUGZWID-PMERELPUSA-N 705.661 6.670 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225249310 MWVMWAWEXLQVDN-XMMPIXPASA-N 552.524 6.391 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225474232 JOJLVDDFSWFZBP-ATIYNZHBSA-N 645.178 5.483 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 247353574 WSGLHCKEQPBWEB-YGGCMVMVSA-N 576.008 6.104 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccc(Cl)cc3N1[C@H]2C(=O)c1ccc(Br)cc1 248081663 DENCGNQTUBKZOH-BELIEFIBSA-N 592.833 5.592 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260925808 HAYCOBNIPUUPDE-SFTDATJTSA-N 665.596 5.746 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260974232 AEWBDIOALSDRMP-RBBQXQBVSA-N 776.139 7.622 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408565672 LRILBXPHHMEHSC-OCAOGGMISA-N 578.463 5.481 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408568845 UXWZJNMTWLXNEO-HSWHJCFASA-N 554.430 5.636 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 408577261 YWSLOSOKAVGLJG-HSZRJFAPSA-N 624.344 7.343 5 40 KKBB COc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408612471 WDOAURPIUFXMQA-UHFFFAOYSA-N 521.706 7.987 5 40 KKBB Cc1cccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1C 408739135 YDPKXYTWSKCYCM-MUUNZHRXSA-N 507.590 5.710 5 40 KKBB Cc1cc(Br)ccc1-c1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1ccccc1C)C2=O 408757745 QGHWJGVCSKFEIT-UHFFFAOYSA-N 501.336 6.595 5 40 KKBB O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408848633 XNBWMLQNYWSTMH-SELCLYCASA-N 637.073 6.581 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4cc(C)c(C)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 408918246 HZVWGVRNYGQQMR-YMMTXDPESA-N 690.752 7.418 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408990418 VSFVBFOBFJTBOD-FPWMYLJGSA-N 882.527 6.807 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409077384 FHJQIAHTXBVBPT-NJSWBSQOSA-N 775.681 7.602 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 409145999 PKNKNHLAPWXQRZ-JOHYPREOSA-N 707.834 6.189 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O 409165588 ZXPZNXCNVGQRJJ-WSDLNYQXSA-N 571.533 6.698 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 409177163 CNBFWZKGXRMUHJ-AREMUKBSSA-N 551.467 5.085 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409177608 COBNHRFZQMESCG-MYKKPKGFSA-N 611.032 5.258 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409180392 RDTMQZKKPSOJCJ-UHFFFAOYSA-N 532.018 5.523 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OC)cc1 409188887 BQSGOQSBIDODCC-NNAGEYCMSA-N 717.229 5.798 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409268102 ZPKFGEIPEOPFSW-OYKKKHCWSA-N 659.458 5.852 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 409274521 OXILJPYIEAFPRL-LSHDLFTRSA-N 568.951 5.932 5 40 KKBB CN(C(=O)CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5)c1ccccc1 1241409 NBMSRPYWYBGEIO-UHFFFAOYSA-N 522.659 5.798 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 1317391 SSLADMRIBCDDLP-WIYYLYMNSA-N 529.500 6.558 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 2072798 KOFRPLBNIWRXEZ-MFUBYVTQSA-N 584.437 5.273 5 40 KKBB COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2OC2CCCCC2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 98003560 INMWJESABPXYQT-UHFFFAOYSA-N 598.496 8.397 5 40 KKBB CC1=C[C@@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@H]21 100391040 ZRHIGDZIDKQKSO-CBTSXZFNSA-N 524.529 5.446 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 101670617 NYRYWQSYAOLPJN-XJUOHMSHSA-N 588.798 5.166 5 40 KKBB COc1ccc(OC)c(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc([N+](=O)[O-])cc2)CCC3)c1 103139113 OFHDZXFFJSCIRJ-CAPFRKAQSA-N 553.571 5.833 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)c1 103817529 HQWZXLDRGSPMPD-UAMLYEQYSA-N 596.064 6.149 5 40 KKBB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 107713278 DAWGIJQLPKLOAW-RMKNXTFCSA-N 540.325 6.542 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214267099 YMPJHSCCULRKIC-FSJBWODESA-N 539.497 6.070 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224370252 MQFMYVALXRMMHM-XIFFEERXSA-N 707.249 6.315 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225568571 VZROMDPXRREHRA-FUFSCUOVSA-N 624.760 5.138 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12 225711051 LWQITVYVXADVHD-XZWHSSHBSA-N 562.655 5.935 5 40 KKBB CC1=C[C@@H]2N(c3ccc(C)cc31)[C@H](C(=O)c1ccc(C)cc1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 229933980 XLAZJFUBGHRGIC-BSYZOHBLSA-N 583.644 6.458 5 40 KKBB O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247306625 GYBZXUJTJFNGAH-UPOHCCNUSA-N 610.453 6.883 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 408564807 AJHQWZQSTJMMTN-RUZDIDTESA-N 583.508 6.653 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1F 408577437 ZMPQQWGQNIYCBM-DEOSSOPVSA-N 605.461 6.704 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408646673 UBJUFLRIJLCKMZ-ZKSIBHASSA-N 789.195 6.982 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408825093 RHPLLZXQNIQYFW-UQDCTOEPSA-N 587.654 5.062 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n21 408947476 QCXXJYILCRBXRV-NFYDWNOTSA-N 717.392 5.889 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408985902 LAZPQJWKCDEXAD-WOSHRIRTSA-N 578.690 5.512 5 40 KKBB COc1ccc(CSc2nc3ccc(N4C(=O)c5c(Br)c(Br)c(Br)c(Br)c5C4=O)cc3s2)cc1[N+](=O)[O-] 408986834 PMYKACAAOQPBNH-UHFFFAOYSA-N 793.107 8.356 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409039660 RRZDPFKUSGZMIL-PIXWUVMMSA-N 682.549 5.525 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 409062155 OOKFZJRTMDSKCQ-UCQKPKSFSA-N 612.458 5.093 5 40 KKBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1C 409137207 UPSUNJQKDCSTDT-RUZDIDTESA-N 574.688 5.772 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 409168082 KBNILIAEFDCRGQ-FSJBWODESA-N 666.428 7.242 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 409179336 RJQVIMOSBXAJER-UHFFFAOYSA-N 539.456 5.453 5 40 KKBB COc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409192333 AYGGQWQOKRUXHN-IEPMXLQJSA-N 539.327 5.874 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 409330516 BBXBWPXPDKVAMY-ZALJDRIPSA-N 749.842 6.771 5 40 KKBB C[C@@H]1C[C@@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 1784080 ZWYADODLGKHDSA-PIIWDFAUSA-N 536.544 6.330 5 40 KKBB O=c1n(Cc2ccc(Cl)cc2Cl)c2cc(N3CCOCC3)c([N+](=O)[O-])cc2n1Cc1ccc(Cl)cc1Cl 6444509 CIQBFQKVKDSBPU-UHFFFAOYSA-N 582.271 6.258 5 40 KKBB CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1 8995753 QWRMCQVLUFYZSZ-FQEVSTJZSA-N 509.942 5.696 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1 20611043 HJWOZAWJHPEIKI-UHFFFAOYSA-N 524.581 6.304 5 40 KKBB O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@]3(S2)c2ccccc2C(c2ccc(Cl)cc2)=NN3c2ccccc2)cc1 33353239 FNVNKAZVSCHEFN-XIFFEERXSA-N 588.092 8.246 5 40 KKBB O=C(COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)Nc1ccc(F)cc1 59651955 JJKPRRUEKLTZNY-PGUFJCEWSA-N 616.649 7.113 5 40 KKBB CC(C)(C)c1ccc(C(=O)O/C(=C(/Sc2ccccc2[N+](=O)[O-])c2nc3ccccc3s2)c2ccccc2)cc1 97983746 VRRBSCFMKFWDPK-ZQHSETAFSA-N 566.704 8.977 5 40 KKBB COc1ccc(CCNc2cc(N3CCN(C(=O)COc4ccc(C(C)(C)C)cc4)CC3)ccc2[N+](=O)[O-])cc1OC 100104682 CDOHKOSKDSHEJY-UHFFFAOYSA-N 576.694 5.292 5 40 KKBB O=[N+]([O-])c1cccc(C2=CSC3=NC4=C(CCC/C4=C/c4ccc(OC(F)F)cc4)[C@@H](c4ccc(OC(F)F)cc4)N23)c1 102424343 YIUGADJIEZPSNK-USPYDQLOSA-N 609.601 8.777 5 40 KKBB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C/C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 103071018 IJJPWVAVAKUSNR-PLSXKVAHSA-N 537.787 5.692 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105305803 AWBITSVOPZWISN-UHFFFAOYSA-N 564.067 6.790 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)cc1I 105314640 CEGXITSHTJQXMP-UHFFFAOYSA-N 521.336 5.203 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 106740350 LOQXKDLLMOUGFI-JJFYIABZSA-N 559.383 6.366 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112244341 GMHWDZAUMDTODL-UHFFFAOYSA-N 572.430 5.673 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150395641 KTBXVDJNUBIGHQ-WGJPBTIMSA-N 651.697 5.429 5 40 KKBB Nc1c(C(=O)NCCc2ccccc2)c2nc3c(C(=O)NCCc4ccccc4)ccc(Br)c3oc-2c(Br)c1=O 150402118 PFSSZXXSOAMFTR-UHFFFAOYSA-N 664.354 5.345 5 40 KKBB O=C(Oc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1)c1cccc([N+](=O)[O-])c1 163243729 NWNJCZVVBMNCON-MRWVFDTMSA-N 664.537 6.209 5 40 KKBB O=C(N[C@@H]1C(=O)n2c(nc3ccccc32)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 195547678 FXYINVKSSYTPQJ-VJGNERBWSA-N 530.540 5.147 5 40 KKBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222911770 RUDIIUORDCAGHL-LJQANCHMSA-N 621.543 5.429 5 40 KKBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 224845093 ZJKLXPDNTMKXTR-GDLZYMKVSA-N 545.705 5.835 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 225090386 MTDQYZQZXIJFKP-IOWSJCHKSA-N 591.649 6.444 5 40 KKBB Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 253487795 QHKWHOQKDBIHLI-DCMQHHMNSA-N 590.035 6.413 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261072975 QAHDVQYMKKMWHI-BNHRFMORSA-N 697.641 6.652 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 408568672 IFOHHJVSBSNDAV-VWLOTQADSA-N 569.481 6.344 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 408571415 ORTZEZGYOXDBTG-DEOSSOPVSA-N 608.345 7.643 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408575081 VYLFOSWSUFPTRC-VWLOTQADSA-N 652.398 7.960 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2C(=O)c2ccccc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408647028 JEULBDNTCHNRET-JOCHJYFZSA-N 598.995 6.051 5 40 KKBB O=C(Oc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1)c1cccc([N+](=O)[O-])c1 408845882 ZYKUADBIYMVNIA-SELCLYCASA-N 630.638 5.354 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 408852633 VFTXUWPEQGPIID-JLKMOJGBSA-N 641.105 6.094 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1 408990588 XNMMBXULBVUHET-MDINZUHSSA-N 670.747 5.855 5 40 KKBB Cc1ccc(NC(=O)c2c(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 409057972 XDQZAEWJXXJGPU-SFHVURJKSA-N 521.639 6.386 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1Cc1ccccc1 409125678 DSJLHRPREUYQMY-MHZLTWQESA-N 528.952 6.518 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409169176 PLZOSSHGBWZDPU-ZMOGYAJESA-N 565.629 5.579 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccccc2Cl)OC1=O 409195689 VHNNYVALRVVVEF-QYXBQQPHSA-N 632.648 6.737 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409203229 XAXBMPVVPJBCLC-FOKLQQMPSA-N 725.799 7.426 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1C 409275931 NBHDAKZSBWZOOK-SRZZPIQSSA-N 556.394 5.909 5 40 KKBB CCCC[C@@H](CC)COc1c2sc3ccsc3c2c(OC[C@H](CC)CCCC)c2sc3ccsc3c12 1776010920 HTASKTWYLDXXPU-WOJBJXKFSA-N 558.900 11.736 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 1317393 SSLADMRIBCDDLP-NQIIRXRSSA-N 529.500 6.558 5 40 KKBB COc1ccc2c(c1)[C@@H](Cc1ccc(Oc3ccc(C[C@@H]4c5cc(OC)ccc5CC[N+]4(C)C)cc3)cc1)[N+](C)(C)CC2 1766814 KXQIJKZGDDACRA-XPSQVAKYSA-N 578.797 7.329 5 40 KKBB CC[C@H]1CCc2c(sc3nc(SCC(=O)Nc4cccc([N+](=O)[O-])c4)n(-c4ccccc4)c(=O)c23)C1 2352140 DUVAEBKYQUAELV-INIZCTEOSA-N 520.636 5.601 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 3767927 KAOOCJHUXBPMSX-UHFFFAOYSA-N 538.741 7.331 5 40 KKBB COc1cc(NC(=O)CSC2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)c(C)cc1[N+](=O)[O-] 103132420 QZRQYPQOVKGTCS-SRZZPIQSSA-N 560.588 5.065 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306111 GRARFIDAFNCOGB-UHFFFAOYSA-N 536.013 6.174 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 105312566 NUAWTNIMBDIABF-LJQANCHMSA-N 557.676 7.034 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163719831 HPVNZADDKLWRBB-PNZYDNNZSA-N 752.949 6.252 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 163759694 YLVYHSFQGDTVHW-SUAMDDGLSA-N 636.524 5.852 5 40 KKBB C[C@@H](c1ccccc1)N([C@H](C)c1ccccc1)p1oc2ccc3c(c2c2c4c(ccc2o1)CCCC4)CCCC3 212183761 FGFFWGDLHSFEDX-WMPKNSHKSA-N 547.679 10.508 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214996547 LRAXTXIHWKWIDH-LPYMAVHISA-N 525.380 6.173 5 40 KKBB C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222992607 ICKUCLOMIXDMJV-LJQANCHMSA-N 621.543 5.429 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224407695 CCGJWQLCNDFKBS-YTTGMZPUSA-N 725.239 6.454 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225210555 CLXGADWZMFENEQ-RUZDIDTESA-N 665.596 5.748 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225266768 UYQBKROAFJNFMZ-GDLZYMKVSA-N 559.663 5.380 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)o2)cc1 225384135 IHUWKCMEINVIBP-WUFINQPMSA-N 526.618 6.748 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 261016587 USZBHIXCYQHIER-MUUNZHRXSA-N 647.581 5.367 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261117831 YSOAHIYFRFLSPF-HPMVVLTCSA-N 786.145 7.078 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408564428 CUAYVHXHPPZODH-DEEGFUGBSA-N 568.457 6.026 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408564882 GFWQCQPZUNNVOM-DEEGFUGBSA-N 568.457 6.026 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408565703 LTIXNVKCZXXZOM-BQGAEBSMSA-N 582.426 5.230 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1 408568076 HOMOSEZFKPDBLY-DEOSSOPVSA-N 648.377 7.107 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1 408570653 LSUAWNKWPKGBSY-DEOSSOPVSA-N 543.020 6.374 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408577810 ZZJMISLAGVTWCC-VWLOTQADSA-N 628.505 6.561 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408683356 LHHKGLXTHLOZOX-UHFFFAOYSA-N 618.600 6.624 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408782843 JZKSXNSBNAFXTO-SUAMDDGLSA-N 729.524 5.038 5 40 KKBB Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1 408917023 KYRWRBMADUDOQT-OEAKJJBVSA-N 503.536 5.157 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408950607 TZUFEIHKWQGYPT-PRLWALMFSA-N 555.055 5.377 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409076264 AIEBSKWLNYUBKH-PBKKUYBVSA-N 702.967 5.790 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409105473 KIMQROVUEXRKQX-RFZPLYKNSA-N 656.145 5.438 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(C)cc5)C(=O)[C@H]34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409180860 WLTQIAZXIBEUBB-RDWAJZFBSA-N 750.833 5.526 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409377790 KUFPXMGQYVVOIQ-QRVIBDJDSA-N 604.479 5.384 5 40 KKBB Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2c1 2321991 FWTHSEKFVSWXEC-UHFFFAOYSA-N 505.324 5.921 5 40 KKBB COc1cccc(C[C@H](c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3c(=O)n2Cc2cccc(OC)c2)c1 13028248 GGIBDLDAJUNRPT-HHHXNRCGSA-N 521.573 5.745 5 40 KKBB O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 15945970 MFRBCPSCIRWOGG-UHFFFAOYSA-N 513.881 5.101 5 40 KKBB COc1ccccc1-n1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nc2cc([N+](=O)[O-])ccc21 25396062 GXKMBKAKJCOGMI-UHFFFAOYSA-N 522.671 6.528 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc6n(n5)[C@H](C(F)(F)F)C[C@@H](c5ccc(F)cc5)N6)nc34)c12 97948485 MGPLOAYWOIKPSY-BBRMVZONSA-N 574.514 6.796 5 40 KKBB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1S(=O)(=O)Nc1ccc(F)cc1 102975272 NXUFAWYMQFRBAM-AWEZNQCLSA-N 569.489 5.046 5 40 KKBB O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)Nc1ccc([N+](=O)[O-])cc1Br 103101991 HONRWEUIHAYHNO-UHFFFAOYSA-N 540.757 6.021 5 40 KKBB COc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 104118958 CHZRWCNJNSGYPL-GCZHVTBPSA-N 571.589 5.585 5 40 KKBB COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1[N+](=O)[O-] 105313365 RTDPELNFOJKKRN-UHFFFAOYSA-N 524.558 6.205 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1 105460587 UKUDVMOYGQJYOQ-UHFFFAOYSA-N 535.004 5.414 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 106703402 IMGVCODCYKRNFR-QRVIBDJDSA-N 539.407 6.481 5 40 KKBB O=C(Nc1cccc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 150484951 AAQQQTOZXXZUKP-VBSNSAIWSA-N 637.630 5.337 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c2=O)=N1 164182173 AXWHKFZRHYDLHG-OIUASMPBSA-N 722.614 5.845 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1cccc2ccccc12 209535882 QXARBYPHFJHOFJ-YDZHTSKRSA-N 535.375 7.007 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223269266 KMWWUWWBCLASPR-HVIPQOSHSA-N 628.751 5.345 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)C 224114881 VBQZZIZEOUEGKE-SVBPBHIXSA-N 541.633 6.330 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224523043 XBLGRMRMMFMHCG-NRFANRHFSA-N 538.428 5.155 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225326247 ZOPZYOFRKAQSCQ-DHUJRADRSA-N 686.831 5.972 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225417943 LVGJPZUKGKJECY-MUUNZHRXSA-N 578.507 5.989 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225488962 GBJDJPSPIZGYFG-BHVANESWSA-N 767.732 7.503 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260942341 IUVPUQXGCGJBPN-JOCHJYFZSA-N 645.178 5.401 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 408571507 OTASJTAHNAXVAV-RUZDIDTESA-N 617.497 6.574 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 408571653 PJWBUJPZCZWFOS-XMMPIXPASA-N 608.345 7.643 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408640860 JDLMYZYYOKJFJH-IZZNHLLZSA-N 646.450 5.158 5 40 KKBB CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408772519 MMKZBXOZUCJRQZ-BIWBSIMWSA-N 505.596 5.735 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)o1 408841162 FVTLZNQOIMZJMB-ITNPZBTBSA-N 580.065 6.449 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408974710 CFJCCNLQPULENB-LMSRTUJASA-N 594.045 5.019 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c2=O)=N1 409037957 VBFLDIPVMMIHAO-GVMLUORFSA-N 668.953 5.701 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1 409046000 QTALILDVNLBMAD-SAGCDJCOSA-N 657.745 5.471 5 40 KKBB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409046437 KEOLWGSBEMONSS-BKUYFWCQSA-N 603.292 6.303 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 409058482 OYZASYOFTPZFOD-QRVIBDJDSA-N 785.354 5.539 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 409090650 MVZCRSHLRVQYPX-JAYSWQADSA-N 807.404 5.495 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409167940 JYQZGXKIHSTPGF-NDENLUEZSA-N 585.392 5.228 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409223367 ZFEOFMKLWDAQLR-WSDLNYQXSA-N 588.425 6.164 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl 409364719 YIPSCNVREYMJCB-FQEVSTJZSA-N 531.038 5.108 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409379131 UQJFJVLKBFNFBB-QRVIBDJDSA-N 604.479 5.384 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2Br)n1-c1ccccc1 6280768 DMXJFISUCBZPEX-UHFFFAOYSA-N 524.400 5.644 5 40 KKBB O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 9046624 UAEALGCZJKDYJC-UHFFFAOYSA-N 500.933 5.143 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 12524402 HXVRMIWYMBDCEM-WMZSMKNFSA-N 522.605 5.868 5 40 KKBB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 13148357 MEIDXVWMXBYHAH-UHFFFAOYSA-N 515.975 5.242 5 40 KKBB O=C(Nc1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 13957566 WLEVHDICGXMKRZ-UHFFFAOYSA-N 514.446 5.828 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274762 BHGCFUMEFCEDRD-UHFFFAOYSA-N 505.531 5.269 5 40 KKBB CC(=O)c1sc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@H]3[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C 33772265 VQHGVWZSTQADDM-USHLRGNCSA-N 517.567 6.272 5 40 KKBB Cc1ccc(S(=O)(=O)c2c(NC(=O)c3ccc([N+](=O)[O-])o3)n(CCc3ccccc3)c3nc4ccccc4nc23)cc1 97983963 VXBHESMDJWGXCX-UHFFFAOYSA-N 581.610 5.722 5 40 KKBB COc1ccccc1/C=C1\CCC[C@@H]2C1=NN(C(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)[C@H]2c1ccccc1OC 102967820 MOAXSUQGWYIMQZ-RINYCHLCSA-N 582.657 5.885 5 40 KKBB CCOc1ccc(NC(=O)CSc2nc3cc(C(=O)NCCc4ccc(OC)c(OC)c4)ccc3c3nc4ccccc4n23)cc1 150443192 YFIXVKQRCFYUFR-UHFFFAOYSA-N 635.746 6.155 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215019662 JHJNJYWEZNFQQE-ZVBGSRNCSA-N 673.166 8.242 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223997574 ZXNZYSQTMUHDEL-MGBGTMOVSA-N 658.777 5.273 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225285334 UNSZPHYZNHNHLG-HZPDHXFCSA-N 512.459 5.467 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225330394 XHGNHEUYVHCEAO-SSEXGKCCSA-N 622.744 5.055 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 225556368 HNOVCIIFCOQVOE-WUFINQPMSA-N 540.649 5.344 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408572613 RMIPVGNDNUJBFJ-DEOSSOPVSA-N 545.448 6.580 5 40 KKBB Cc1ccc(-n2c(Sc3ccc(C=O)cc3[N+](=O)[O-])nnc2-c2cc(Br)ccc2O)c(C)c1 408605241 LEXFNZWOGVMTHA-UHFFFAOYSA-N 525.384 5.891 5 40 KKBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 408664997 ZBPCFWFOBIUMQL-PYCXMFPASA-N 636.444 5.558 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(Cl)cc(Cl)c3O)c2=O)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732040 OLBVMCCYPWLBIZ-WIEBJJNQSA-N 670.527 5.415 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408734222 VCUKAQBPBQYYAD-DQARITGZSA-N 695.493 6.442 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408918492 LDGBWCQWUUAFNX-SRZZPIQSSA-N 594.270 7.480 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 408920113 HGXHJTKDUYVAAV-QARYAGPDSA-N 610.113 5.730 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c2=O)=N1 408993213 VDSPDIMETABFEB-ZPVURNRZSA-N 651.751 6.136 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)c2=O)=N1 409039723 RXWQQPVRVKPXMK-ZYDFGXJWSA-N 584.437 5.273 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409071738 PIVXLSFPBHSHOR-UUYOSTAYSA-N 695.773 6.500 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(s/c(=C/c3ccc(Sc4ccc(Cl)cc4)o3)c2=O)=N1 409092731 WJGFHTXHHTZLTB-MLJBDGAYSA-N 596.086 5.493 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409174791 VEGRNPCDVGHBJO-WYMPLXKRSA-N 568.007 5.819 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409181422 COSCFTQEQCUVSQ-UHFFFAOYSA-N 625.804 7.188 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409260889 YCJRNRYRGCEOBY-BHGWPJFGSA-N 613.004 6.331 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)N1CCc2ccccc2C1 409388702 VRIHANQEDWEBMJ-QFEZKATASA-N 655.470 5.400 5 40 KKBB COc1ccc(NC(=O)CSc2nnc3c4sc5nc(CC(C)C)c6c(c5c4ncn23)CCC6)cc1 8741254 AWVLWKLNBYIFNA-UHFFFAOYSA-N 518.668 5.314 5 40 KKBB CCOc1ccc(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1OCC 32966660 QACHRKJJAHASJM-UHFFFAOYSA-N 509.584 5.254 5 40 KKBB O=C(C[C@H](c1ccccc1)[C@H](C(=O)c1ccccc1)[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1 33355110 QFFRUDKBZNZJIJ-DCCHFUKUSA-N 554.646 8.304 5 40 KKBB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3O)oc2c1 59331525 CJURBJVIKSJEDJ-UHFFFAOYSA-N 517.567 5.144 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 97948418 UZUXFWKXBWFTEC-UHFFFAOYSA-N 568.586 5.246 5 40 KKBB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 100309779 QNZSDRDAUZOLJG-UHFFFAOYSA-N 520.295 6.383 5 40 KKBB Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5[C@H]6CC[C@@H](C6)[C@H]5C4=O)cc3)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 100396400 HXKISKSQFYIMGI-UUHNBFBXSA-N 589.604 5.694 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 102747792 HYBUQLUCDVUQJM-GVAUOCQISA-N 515.909 5.559 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 103551375 BPUCYKFKHMPCOM-OVDFTCDZSA-N 531.524 5.044 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 150389584 DDBPFDZHGDPAOG-UWRMONIRSA-N 682.549 5.363 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccccc5Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1 163253366 LAJYIJVQBQREHA-KFOJKGMOSA-N 632.654 5.936 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 164007933 MITUGMPVKNPRRY-IZBTWGKQSA-N 813.433 5.556 5 40 KKBB Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224788330 PHTYVGMLGYKRIX-KYJUHHDHSA-N 599.137 8.540 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225277501 LEZPYLOVYNWAAN-QFIPXVFZSA-N 506.430 5.700 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225451697 JKRQBWYLVSFOAY-PMERELPUSA-N 685.641 5.521 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)o1 225581552 IMTBZXKMDCDBFO-NSOVKSMOSA-N 557.632 5.568 5 40 KKBB O=C(c1ccccc1Cl)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247302649 FKWLUXZNSYSCKD-GYPIRZFJSA-N 576.008 6.230 5 40 KKBB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408541805 FWZPWRBOXFMJPI-UHFFFAOYSA-N 548.839 6.457 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 408569373 WCJWWADNIOIXGW-LHJUMPSXSA-N 523.589 5.339 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 408575962 XCBGOZADPFPZEI-AREMUKBSSA-N 589.501 6.979 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)O)n[nH]2)c1 408634732 WZVAZWDHNIIFME-JAIQZWGSSA-N 528.930 5.528 5 40 KKBB CN(C)CCCNC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)NCCCN(C)C)c3cc12 408719895 HFDDTOZVHKDIIS-UHFFFAOYSA-N 588.756 5.480 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c1 408769020 KZJPXMBBPNMGHS-VSQRRKBNSA-N 662.724 5.378 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408778634 JDZSVYRKTBUGMX-SWBDNCPRSA-N 679.726 5.961 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 408820906 AIWQDVCEFXTNRE-QARYAGPDSA-N 747.849 6.464 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1Cl 408834266 VOHMOJNPYUBSKJ-ORVZPOCUSA-N 745.979 5.552 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408989624 ULLFKRQIHCLEFC-SUAMDDGLSA-N 624.071 5.027 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 409030021 BPSZZSTXGJDOPI-MIUGUJGPSA-N 636.126 6.026 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409165679 APWRMXGLEPVXPL-NDENLUEZSA-N 542.367 5.790 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 409177307 DDEUODCDVCVOTQ-RUZDIDTESA-N 522.340 7.475 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(SC)cc1 409274999 RVHNNQGACLCYFH-LHMNITIUSA-N 654.814 5.802 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409276432 RASZMPSLEHTDIV-XNENXQGPSA-N 653.805 5.410 5 40 KKBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409339429 VNCXRGVXXHMPSO-YWEYNIOJSA-N 508.365 5.084 5 40 KKBB CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C](O)CC2(C)C)C(C)(C)CCC1 1560405225 UHODOWRLCGEIFZ-QQGJMDNJSA-N 551.879 12.120 5 40 KKBB Cc1cc(C(=O)COC(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)c(C)n1Cc1ccc2c(c1)OCO2 3362006 VKYTWHXBCQEGSV-UHFFFAOYSA-N 544.585 5.981 5 40 KKBB Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2F)cc1[N+](=O)[O-] 13075154 NPQYJXXCTIEREV-UHFFFAOYSA-N 511.922 5.150 5 40 KKBB O=[N+]([O-])c1ccn(Cn2nc(-c3ccc(Br)cc3)c(Cl)c2-c2ccc(Br)cc2)n1 97945845 NTHYYHPBAMASOJ-UHFFFAOYSA-N 537.599 6.006 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 100341691 USJBVDPWTHSBIL-LPYMAVHISA-N 525.380 6.173 5 40 KKBB O=C(Nc1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1)c1cccc(Cl)c1 100949682 MHCIZUWURDSZRW-UHFFFAOYSA-N 520.954 5.887 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 101964188 JPXMHWGNTBKZTR-FQKMCRJQSA-N 572.067 6.202 5 40 KKBB CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC 102748570 JUHLQQJCOCXAQM-ZONZVBGPSA-N 531.565 5.224 5 40 KKBB COc1ccc(NC(=O)C2=C(Nc3ccccc3F)S[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3OC)C2=N)cc1Cl 102931746 QMAKBCJREMZQDB-HSZRJFAPSA-N 586.001 5.441 5 40 KKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2nc(SC(c3ccccc3)c3ccccc3)sc2c1 103771673 GOJULYZXLFXPLH-UHFFFAOYSA-N 600.772 8.427 5 40 KKBB O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1sc2c([N+](=O)[O-])cccc2c1Cl 104099030 GZHGOPUFZQYVCY-UHFFFAOYSA-N 555.443 6.331 5 40 KKBB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cccc2c1Cl 105303406 PLUXAISBNYYBCA-UHFFFAOYSA-N 522.435 7.112 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(-c2nc3ccccc3s2)c1O 105310739 RXVIRFLYYJCVDP-UHFFFAOYSA-N 547.662 6.003 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 109758470 UIORFZSYPXXJFO-XBXARRHUSA-N 599.418 6.417 5 40 KKBB C[C@H]1N(C)c2cc3c(cc2C1(C)C)[P@@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)OC(c1ccco1)=N3 110551341 JWPDOGMRBRYFKW-ALHNLDCPSA-N 614.437 6.495 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 224725034 CEABISQTGQRVFY-IHLOFXLRSA-N 548.624 7.528 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224799543 RHFNMTVGYOXUIN-YTTGMZPUSA-N 628.751 5.263 5 40 KKBB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C(C)(C)C 225111061 BGRZFPYJLQOYOB-RRPNLBNLSA-N 570.675 5.951 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260910275 KCXLGFCQSXWAHB-PGUFJCEWSA-N 812.183 7.612 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 408568734 ILULABJZZKDCCF-HSZRJFAPSA-N 563.438 6.719 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1 408571544 OWVJLTZHFKAIDR-OAQYLSRUSA-N 529.818 6.970 5 40 KKBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)c2)cc1[N+](=O)[O-] 408685552 QZWUTZPLJDDACV-NPYONTDKSA-N 587.588 5.095 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 408870500 FQVOQNTWHNVUCS-MSXFZWOLSA-N 617.558 5.885 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc5ccccc45)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409149576 KLPCUVOZNHKUKI-ZMTYCLHQSA-N 777.491 7.272 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccc(C)c(C)c1)c1ccccc1 409183043 QMURSKJEPQJVKD-GDLZYMKVSA-N 598.995 6.455 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 409246168 FXPYRLZVQVFNBQ-WSDLNYQXSA-N 559.825 6.826 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409348078 OXJPRDAGMJKNEX-GKTKDVHMSA-N 638.529 5.901 5 40 KKBB CC(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)Nc3ccc([N+](=O)[O-])cc3)S2)cc1 2049251901 JAHMOCIPIKTUPZ-CLJLJLNGSA-N 576.078 6.550 5 40 KKBB O=C(Nc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 2056222 ICFZMDCXGSUVGK-UHFFFAOYSA-N 567.341 7.107 5 40 KKBB Cc1c(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)oc2c1ccc1ccccc12 3360942 KBBOHWJLLGPHLO-VWLOTQADSA-N 514.921 6.993 5 40 KKBB COc1c(Br)cc(Br)cc1/C=C/C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4089289 CJHXHSMDTFRAKZ-GORDUTHDSA-N 593.194 5.509 5 40 KKBB COc1cc2c3cc1Oc1cc(ccc1O)C[C@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@H]3[N+](C)(C)CC2)CC[N+]1(C)C 8582161 PXXYOLIWFSWZNP-IHLOFXLRSA-P 624.778 6.846 5 40 KKBB in-vitro O=[N+]([O-])c1ccc2nc(Sc3nc4ccccc4s3)c(Sc3nc4ccccc4s3)nc2c1 16545476 XIWFWUSVXLIGBR-UHFFFAOYSA-N 505.631 7.060 5 40 KKBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccccc2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 20028147 KMBOOPQFBPLJSE-UHFFFAOYSA-N 513.510 5.015 5 40 KKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 22832095 SWHRFCINUZAIGR-UHFFFAOYSA-N 507.757 6.579 5 40 KKBB C[C@@H](Nc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100323459 COIIQAYYQVRULX-WMXVPYMRSA-N 538.714 5.264 5 40 KKBB CCCCOc1ccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc1 100847635 MBPBQTYOAGZZRS-ITYLOYPMSA-N 564.627 5.306 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc3c(c1)OCO3)[C@]21C(=O)Nc2ccccc21 103543456 XHWJKRPGZBPKRW-UIUKDCGCSA-N 599.599 5.570 5 40 KKBB CC(C)(C)c1ccc2[nH]c3c(cc(NCCCN4CCN(Cc5ccccc5)CC4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 103558672 JCGLUMLTQMVJMB-UHFFFAOYSA-N 600.763 6.858 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6)o5)c(=O)n42)c2ccccc2CC3)c1 103791891 QBPJKFKAKYLMCA-PYCBVSLESA-N 561.619 5.496 5 40 KKBB CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 105306549 GSYIEAZEYDAIDV-UHFFFAOYSA-N 580.066 6.143 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105322856 GEALBCXFOCWROL-UHFFFAOYSA-N 611.955 5.359 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 150396274 APJFQHUKEBCWJX-JOHYPREOSA-N 633.726 6.536 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n31)c1ccccc1CC2 163205417 MTWNWZBYMNHTJJ-ZPMAPHDVSA-N 680.580 6.577 5 40 KKBB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 198312636 VQAZHWXLBKSLFU-UHFFFAOYSA-N 634.614 5.248 5 40 KKBB COC(=O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224792592 MDBIVBULWNUQRJ-IHLOFXLRSA-N 607.717 6.895 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224816632 BEADVEIXBBCAHZ-HHHXNRCGSA-N 635.570 5.677 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225277182 ZPNHAUXKSJLHMF-MGBGTMOVSA-N 707.249 6.317 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225670020 JRGXRKUYDPIZGX-KSFYIVLOSA-N 526.486 5.857 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408563859 BFDUCDPNERUGEN-ZVFGGPEJSA-N 612.908 6.135 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)cc1 408571945 QAYDFWJNOBFBMM-RUZDIDTESA-N 569.481 6.426 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)O)o1 408630677 AARVCJCJUCWJQJ-MSXFZWOLSA-N 562.991 6.528 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408643364 PGSOUMQTAJGSCN-NOZRDPDXSA-N 601.999 5.049 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408690171 ZXMORTZPIDXWOW-SNINSWTHSA-N 702.987 6.361 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408833734 USXHFIDQJIJESF-WXKAHTKJSA-N 649.725 5.837 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408855229 DPYUFMVFDPDVOP-JLKMOJGBSA-N 641.105 6.094 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)C2=O)cc1C 408928506 CCKNHMLAYKEZAQ-LQKURTRISA-N 567.623 6.619 5 40 KKBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409019354 ISOMCZWUSYLDRJ-NNLQFVHNSA-N 708.268 5.371 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c2=O)=N1 409041024 YUVMMZZHCXKVRV-PBKKUYBVSA-N 676.962 6.716 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 409177308 DDEUODCDVCVOTQ-VWLOTQADSA-N 522.340 7.475 5 40 KKBB Cc1cccc(C)c1N1C(=O)c2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2C1=O 409183218 SSVFHRFOQHMZPP-UHFFFAOYSA-N 522.513 6.162 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccccc1N1CCOCC1 409193005 AFOSBWNGJLYYKG-AFUMVMLFSA-N 707.481 6.680 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409270669 IDTGKIMXCGRBMI-OPEKNORGSA-N 566.422 6.824 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409274080 UXPAWXMREZTNCO-UUYOSTAYSA-N 550.505 5.008 5 40 KKBB CC1(C)C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@](C)(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 8444509 HSHUTCIVSWXNTR-FYSMJZIKSA-N 537.400 5.555 5 40 KKBB COC(=O)c1c(C)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 8683921 OVYRDLBANOFUFM-UHFFFAOYSA-N 544.925 5.484 5 40 KKBB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2)NCc1cccs1 33538247 RDBPJYXIQAUVRI-RGEXLXHISA-N 513.575 5.555 5 40 KKBB Cc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 98003542 JYLPCGRWBRFFHV-UHFFFAOYSA-N 567.486 7.588 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OCC)cc2)cc1 102960856 DMGUHELCQUBQIA-DZOXOACKSA-N 551.643 7.229 5 40 KKBB CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 103111170 CNJMQSUHADWAEK-UHFFFAOYSA-N 556.980 5.390 5 40 KKBB O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307851 LZPRKTADFRGQGU-UHFFFAOYSA-N 556.431 6.437 5 40 KKBB O=C1S/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745277 FOLFDKGJSHHVSO-NHDPSOOVSA-N 522.451 5.440 5 40 KKBB Cc1cccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)n2-c2ccc([N+](=O)[O-])cc2)c1 150387671 RVLCUCJHRLHLCY-HHHXNRCGSA-N 655.737 6.085 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1 163252797 HCXXVUAUHDZBMJ-DXUGRCAZSA-N 632.654 5.936 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 164111608 DVTLHBJSUGQJTA-IPAKXIGBSA-N 717.579 6.760 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225306233 SUAUPEPGQHCDLS-SSEXGKCCSA-N 622.744 5.055 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1)Nc1cccc2ccccc12 225710977 XJQRAUCDRLLZQW-LOYHVIPDSA-N 562.655 5.935 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408567596 GXCSGCRTBJEEAR-QHCPKHFHSA-N 556.000 5.835 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 408569502 JILLXFHBCXORBY-DEOSSOPVSA-N 577.465 7.109 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl 408569542 JLNXDOUQJTZAOE-AREMUKBSSA-N 573.502 7.279 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1 408571281 OEUPXKGEXJZDLQ-QHCPKHFHSA-N 607.889 6.828 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408638351 CHPSJOBEFKHYLY-IKTNGCAPSA-N 841.098 7.808 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6cc([N+](=O)[O-])ccc6OC)o5)c(=O)n42)c2ccccc2CC3)c1 408771094 DDMDGLMHKSIXSL-NBQDTTAVSA-N 591.645 5.504 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc2ccccc12 408879741 CWUFHMZJKOUKGK-PKYOQBLNSA-N 595.633 5.128 5 40 KKBB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409098271 PDLUPIQCGGYXHM-GRSHGNNSSA-N 519.273 6.448 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409232858 BWQHCVXSICWGFZ-FSJBWODESA-N 677.448 5.991 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 409262390 IHMVEFFZRDNLCK-FSJBWODESA-N 662.312 6.627 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(F)cc1 409269306 AZEHQFAQYXNGBR-QFEZKATASA-N 536.537 5.631 5 40 KKBB O=Cc1ccc(Sc2nnc(CSCc3cccc4ccccc34)n2-c2ccccc2)c([N+](=O)[O-])c1 2381209 CUEZOSUKWBWOIY-UHFFFAOYSA-N 512.616 6.726 5 40 KKBB O=C(NCc1ccccc1)c1ccc2c(c1)nc(SCc1ccc([N+](=O)[O-])cc1)n1c3ccccc3nc21 2959497 VUIXPLXUYVKLFE-UHFFFAOYSA-N 519.586 6.166 5 40 KKBB COc1ccc2cc(-c3cc(C(=O)OCC(=O)Nc4cc([N+](=O)[O-])ccc4OC)c4ccccc4n3)ccc2c1 3287704 ZPGINPYIUFTYQS-UHFFFAOYSA-N 537.528 5.776 5 40 KKBB O=c1cc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)c2c(ccc3ccccc32)o1 3439158 PSCDFMRAUHBCSQ-UHFFFAOYSA-N 534.424 7.445 5 40 KKBB CC(=O)N1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2-c2nc3ccccc3s2)C1 12378174 PMZZJGNFBNZQPP-UHFFFAOYSA-N 513.000 5.743 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 98048842 HCUASSZGQJKMAB-PNJIRECESA-N 671.536 8.091 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 100323261 UCVNVJRGQUVLCP-UKTHLTGXSA-N 549.056 6.160 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=Cc4ccc(Cl)cc4N3[C@H](C(=O)c3ccc(Br)cc3)[C@@H]2C1=O 103988266 LZDUQVIBVQDPDJ-IODBPXAYSA-N 608.832 5.292 5 40 KKBB O=c1c2ccc(C3=NN(c4ccc([N+](=O)[O-])cc4)[C@H](c4ccccc4)C3)c3cccc(c32)c2nc3ccccc3n12 104430859 KNYBFVJHFJXHPL-PMERELPUSA-N 535.563 6.856 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 164537833 XDGMNLWNBPWBOE-GOQPZEPVSA-N 647.709 5.431 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCCC1 205871271 NHAUQDYTEAMCCJ-YBFXNURJSA-N 521.473 5.065 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225313126 LAAUQUWJGKGGKR-AREMUKBSSA-N 621.543 5.431 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225378415 PFXWHFFLUJUSFC-BHVANESWSA-N 716.832 6.335 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260888356 FMIBMKOMRDGEOZ-PSXMRANNSA-N 733.287 6.850 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261001700 FHLIJNULWIBFIQ-MGBGTMOVSA-N 776.139 7.480 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261041561 KPCGVHHUNHNVOF-QNLPTKCRSA-N 697.641 6.652 5 40 KKBB O=C(O[C@@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 390822468 ZIEJEWISHIZPNQ-LIKAHPKFSA-N 555.583 5.822 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 408564976 GVYSRTNOWWDAFZ-NTNMMNSMSA-N 523.589 5.386 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408690172 ZXMORTZPIDXWOW-TUSFPTNYSA-N 702.987 6.361 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408779732 JEGRYJISVJPFBW-ZFWDJNJRSA-N 713.494 5.317 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 408839180 OJEYMVUFHMVMHQ-GZTJUZNOSA-N 595.441 7.895 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5OC)o4)c(=O)n32)cc1 408853904 ZNGNOYPQHUEIGA-HVDVVURSSA-N 636.686 5.449 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 408937904 RCMJPPUPCBPSJB-MXAYSNPKSA-N 626.485 6.318 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409086828 RUOQZGRRAFIRLW-NULZLWRNSA-N 613.533 5.876 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1cccc2ccccc12 409090748 PYRKTLJNEATVGQ-SAGCDJCOSA-N 775.621 6.442 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409104114 DQZCFPBHXICZHI-SJXDCSIJSA-N 679.220 5.834 5 40 KKBB O=C(CN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cc2C1=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409172943 JNXFNNGVCDLEDL-UHFFFAOYSA-N 828.526 7.456 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 409189396 GDTYHEAAARIYBS-XGLZOBASSA-N 739.688 6.672 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)c1ccc(Br)cc1 409224222 JBPCKMALMNYWCH-FMCGGJTJSA-N 632.286 6.618 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409226624 VPIRBRFEGLVPSQ-LSFURLLWSA-N 602.940 5.771 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409263743 BVTRJPLJEPYNJR-UHFFFAOYSA-N 524.382 5.053 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1[N+](=O)[O-] 409273748 SBXFQHYRPVYWGQ-SRZZPIQSSA-N 530.967 5.565 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1 409337940 ZXEDUQSPEQKKPM-UHFFFAOYSA-N 564.645 5.230 5 40 KKBB O=[N+]([O-])c1ccc(Oc2ccc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 1861401 SXYPXTLOMCEAEI-UHFFFAOYSA-N 518.394 6.571 5 40 KKBB O=C(c1ccc(Br)cc1)[C@@H]1c2c(c3ccccc3c3ccccc23)[C@@H]1C(=O)c1ccc(Br)cc1 2187114 DABVNRMEJAGBMV-HNRBIFIRSA-N 570.280 8.465 5 40 KKBB C=C(/N=c1/c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc2n1CCCOCC)c1ccc(C(C)(C)C)cc1 2199439 HLFORRNMIQJUEL-IYOYZZHUSA-N 542.680 5.430 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2s1 59489713 PYXPVRAHXNGHSS-UHFFFAOYSA-N 501.611 5.615 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 100390465 KIRCSOIFZZVGLH-ZRZAMGCNSA-N 534.952 6.077 5 40 KKBB O=C(c1ccc(F)cc1)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101671591 UYWKKVIQGBEANC-TVNXZVQQSA-N 559.553 5.716 5 40 KKBB Cc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 103533406 ZYXGEGNZIYMEEU-GCZHVTBPSA-N 555.590 5.885 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1Nc1nc(Nc2ccc([N+](=O)[O-])cc2C)nc(NN2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2)n1 150347791 KHGIRFAMLGMNNJ-TURZUDJPSA-N 642.636 6.449 5 40 KKBB CO[C@H]1/C=C/C=C(/C)C(=O)Nc2cc3nc4ccc(Br)cc4oc-3c(c2=O)C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@@H](C)/C=C(/C)[C@H]1OC(N)=O 150388490 GRRRVBFXHGBGOJ-HKHSKLAUSA-N 698.611 5.516 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 197764429 MHHBJWWOIMXAFG-QFIPXVFZSA-N 610.678 5.096 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 215113042 XRXCPWNIDJAUEZ-AUEPDCJTSA-N 528.945 6.211 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccc(I)cc1 215230107 XESGCNZITGAZCN-VXLYETTFSA-N 611.211 6.458 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)c1 224516774 UGSGRXRNBRBPIP-PKTZIBPZSA-N 521.396 6.189 5 40 KKBB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1NC(=O)C(C)(C)C 225116239 QQBIQWIUZRASLU-VSGBNLITSA-N 601.685 6.429 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225249851 QEZUJDAPBNJERQ-JOCHJYFZSA-N 506.430 5.700 5 40 KKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 225379397 GDCGRAYAFBNROG-WUFINQPMSA-N 526.618 6.748 5 40 KKBB CC1=C[C@@H]2N(c3ccc(C)cc31)[C@H](C(=O)c1ccc(C)cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 229933970 XLAZJFUBGHRGIC-IMRGVNHMSA-N 583.644 6.458 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 247333556 PQIBSHXKQSCGPU-YGGCMVMVSA-N 559.553 5.590 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 261122063 ZKPYPSZTKZMGGT-JGCGQSQUSA-N 642.778 5.653 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(Oc3ccccc3)cc2)cc1 408546563 UJYGCCNYBKNKLB-UHFFFAOYSA-N 531.590 5.838 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408574527 VCYICMVWQYHCNA-AJZQZXEDSA-N 570.415 5.134 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)cc2)cc1 408644462 RLPPBLREDUJBLW-UHFFFAOYSA-N 915.161 7.257 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Br)cc1 408680812 GWTNPWFKTZVRBM-WVZRZZCNSA-N 730.997 6.044 5 40 KKBB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 408720376 MIYKCTCLBDPUMK-OSCFFGAZSA-N 541.003 6.354 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 408729287 YWAZEGNVCQDQQO-KXANFNGZSA-N 681.542 7.546 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408762121 NDGVCTDJMMPHOR-LHOSBTIMSA-N 707.761 5.449 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408763417 ODEYMGXKHAWGBY-OTHIGLTOSA-N 756.631 6.203 5 40 KKBB O=C1N/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1C1CCCCC1 409076959 CAKPSHKVUOZSCU-MOSHPQCFSA-N 500.349 5.162 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)ccc1Cl 409162975 KEQQHALZMKPTAE-DHRITJCHSA-N 655.041 6.581 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409170203 SYHVSVBBOXTGDJ-CVKSISIWSA-N 561.616 5.864 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 409173062 LHDSPGWIQXSRPH-UHFFFAOYSA-N 620.570 7.802 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409193754 MCGLUTXXPVJOFU-UPWSPCOFSA-N 755.109 6.908 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1Br 409349244 VCQHJPWCFZZKLH-VXLYETTFSA-N 562.785 5.946 5 40 KKBB CC(C)(C)[C@H]1CCc2c(sc3c2c2nnc(SCc4ccccc4)n2c2nnc(SCc4ccccc4)n32)C1 1827083 SENZRTRITAPCGU-NRFANRHFSA-N 570.813 7.722 5 40 KKBB COc1cccc(/N=c2\ssc3c2-c2cc(C)c(C)cc2N(C(=O)c2cccc([N+](=O)[O-])c2)C3(C)C)c1 1901821 GHDLPBKSPLHVIA-WCTVFOPTSA-N 531.659 7.138 5 40 KKBB O=C(CSc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)c1ccc(Br)cc1 2968937 ANQPQYSARGZMIU-UHFFFAOYSA-N 520.368 5.590 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 14277918 FCUDALUVMPMZLX-UHFFFAOYSA-N 504.974 7.032 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1[N+](=O)[O-] 100300426 LMVRNBYAQLFSBQ-UHFFFAOYSA-N 532.912 5.860 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Br)cc4)o3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 101084565 HLZGPFAMGMVLRE-UBFVSLLYSA-N 560.360 5.668 5 40 KKBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 102439945 ALPBRAWMIUYVDR-UHLQNUQBSA-N 559.553 5.590 5 40 KKBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 102973819 ODVUFQBIYPEETO-MPFGFTFXSA-N 579.565 5.182 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 103862647 NZTLUPLVCKJWJG-LHMNITIUSA-N 617.683 5.423 5 40 KKBB O=c1/c(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 103913580 GWVNMUAKIOPTQO-MIUGUJGPSA-N 600.483 6.794 5 40 KKBB COc1ccc(-c2ccc(C(c3c(C)nn(-c4ccccc4)c3O)c3c(C)nn(-c4ccccc4)c3O)o2)c([N+](=O)[O-])c1 108423085 OCYQMUNMDGRUQX-UHFFFAOYSA-N 577.597 6.443 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 111470844 TWWGYTOEHFDPII-ZHGFHMGHSA-N 623.712 5.826 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150396757 WVLPIJZOJONSMV-POKSHJSXSA-N 637.670 5.121 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 150455397 ATAIZPFFRSOAOR-FMCGGJTJSA-N 619.471 5.679 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccc(I)cc4)C3=O)cc2)cc1[N+](=O)[O-] 150468662 YDEZROPTKZPCGR-UUYOSTAYSA-N 636.445 5.512 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 161914836 JOWJCFNEXLADPQ-UHFFFAOYSA-N 627.464 6.125 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 163198636 CGDMPVOOOBIKFA-UHSYMONFSA-N 662.680 5.945 5 40 KKBB O=c1/c(=C\c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 164093857 OFUQRGBISOSWHM-IVQFASICSA-N 650.763 5.480 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1 164514659 FEOQBBXRPNYAGZ-QZVQSRICSA-N 647.709 5.431 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223323247 LBTIIFCCSXHCLY-AREMUKBSSA-N 601.125 5.166 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl 225251423 RDPXJKWCVLKTOY-UIOOFZCWSA-N 563.039 5.196 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225315128 LSHFSEGEKPDTII-JKSUJKDBSA-N 512.459 5.467 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225339222 DZUOUIBXYUNVEC-AREMUKBSSA-N 621.543 5.431 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225367179 OVBAEEUPKOKLKZ-GDLZYMKVSA-N 685.243 6.059 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc5ccccc5c4C=C[C@H]3[C@@H]2C1=O 248079860 CORKNRFVHAWXMO-AMEOFWRWSA-N 529.552 5.329 5 40 KKBB COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408558924 TUTBEWJQTAPDNT-QFIPXVFZSA-N 650.800 7.451 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 408569417 WQNOBZFFNMFFJY-ODTBUFRVSA-N 549.627 5.872 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 408571893 PUOGEXIZEKOKCP-DEOSSOPVSA-N 584.452 6.244 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408571899 PUTBXPZSTHJUJD-RUZDIDTESA-N 652.398 7.960 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc2ccccc2c1 408573604 TYEAXLLLTJBWAR-PMERELPUSA-N 554.672 7.125 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(F)cc1 408679408 DXHONXHORRGTQS-UHFFFAOYSA-N 585.158 5.884 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408734369 XMWNNLVACBOAAO-YRSDHNRQSA-N 684.941 7.187 5 40 KKBB Cc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])cc1C 408918956 RDHDGXLRLDNKNY-CTGRGZOBSA-N 630.700 7.401 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5cccc([N+](=O)[O-])c5)c(Cl)c4)c(=O)n32)cc1OCC 408932684 DNSKGXVGAGKRFS-FVMAXLJRSA-N 684.554 5.610 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)ccc1Cl 409163619 VCDQMJDEUKGGJP-WGOQTCKBSA-N 559.043 6.888 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl 409165876 BFSBZZNCAVLHAA-FSJBWODESA-N 584.006 5.977 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409176300 JYUBHSCHJTYFTQ-BHGWPJFGSA-N 613.004 6.331 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409220673 DDAQQIHOVLGSNN-YDZHTSKRSA-N 693.903 6.506 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O 409273537 YXJKDCIVTWGVHU-LSFURLLWSA-N 670.847 7.805 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 409276916 XYNDVPJLNIVMRP-KEBDBYFISA-N 532.361 6.145 5 40 KKBB O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)n1-c1ccc([N+](=O)[O-])cc1)Nc1nc2ccccc2s1 2965838 GOAAQIRZTRUKIS-UHFFFAOYSA-N 598.041 5.239 5 40 KKBB O=C(O)c1cc(NC(=O)c2cc(Sc3ccc([N+](=O)[O-])cc3)c3ccccc3c2O)cc(C(=O)O)c1 16525380 WSPGHCOYAMRVHP-UHFFFAOYSA-N 504.476 5.254 5 40 KKBB O=C(NCC1CCC(C(=O)Oc2ccc3c(=O)c(-c4ccc([N+](=O)[O-])cc4)coc3c2)CC1)OCc1ccccc1 98000364 RMEBKYQIPRYOEN-UHFFFAOYSA-N 556.571 6.006 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 100307614 CQJBEMHCSTXRKS-ZSJKCPIUSA-N 578.046 5.353 5 40 KKBB CC(C)(C)c1ccc([C@@H]2CC3=Nc4ccccc4N(C(=O)CCC(=O)O)[C@H](c4cccc([N+](=O)[O-])c4)C3=C(O)C2)cc1 101761105 AYKRXZFQSULRAK-APYJYERMSA-N 567.642 7.307 5 40 KKBB COc1ccc(C(=O)Nc2sc(-c3cc4c(=O)n5cc(C)ccc5nc4n(Cc4cccnc4)c3=N)nc2-c2ccccc2)cc1 102625986 UHEUXIBPSBTYKK-UHFFFAOYSA-N 625.714 5.932 5 40 KKBB C[S@@](=O)(=NP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 102921145 VSIMHFSSALKBBS-BHVANESWSA-N 538.387 5.069 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103537493 OSHSCLJTDFLDGI-QSNJERLUSA-N 547.592 5.638 5 40 KKBB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5cc([N+](=O)[O-])c(N6CC6)c([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@@]21C 118928454 XQUAXGTVSUXCHW-BHGOMKKCSA-N 621.819 8.890 5 40 KKBB O=[N+]([O-])c1cccc(C2SCCCCCCCCCCSC(c3cccc([N+](=O)[O-])c3)SCCCCCCCCCCS2)c1 150371855 VETUGTUFPGOBHC-UHFFFAOYSA-N 679.052 12.388 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 150607010 HQSJJFURKITBNC-RBMXVJLZSA-N 703.000 6.563 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1Cl 214413182 CZNYQLOURBGCRZ-ODCIPOBUSA-N 648.240 8.712 5 40 KKBB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccnc1 224765569 DBTUWUGTCXQBGM-IHLOFXLRSA-N 578.723 7.121 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 225489654 IHKVBBFQJVTRQW-LJAQVGFWSA-N 661.608 5.757 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408564023 CBHVFFWHQSHPTG-PPSCSQRBSA-N 523.589 5.339 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)c1 408564881 AQHJIFRAGGDYSQ-XMMPIXPASA-N 539.455 6.336 5 40 KKBB Cc1ccc(COc2ccc([C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Br)cc1 408565011 HCAQSLFQIVOPEH-JGDRUYDSSA-N 548.437 5.391 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408566409 NUBKWSFACZTSNB-WQWSHVPRSA-N 532.811 5.748 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 408577508 ZRISJSJXWXEPEL-QHCPKHFHSA-N 573.444 6.175 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408804994 IFMYOPHSFBKQQT-KMCFWPMWSA-N 700.144 6.224 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1Cl 408823964 HBMQJIYVEBKVIZ-NFYDWNOTSA-N 750.398 6.197 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408843859 UJNOTIJYWNYAII-YNMQQHPQSA-N 708.070 6.275 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409032055 IADHPFFKVXSKKE-XQNWCSQWSA-N 725.561 5.289 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409034842 OHVSNOWSOATKGT-FZEVDNDPSA-N 801.510 6.606 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2=O)=N1 409039213 WQCHLXLEDAVFIQ-QTTRZTASSA-N 652.523 5.518 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409051725 CFUFOYBCCKNIIC-HAHDFKILSA-N 632.432 5.902 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(SC)cc1 409102712 ZJYDYLYIDJNOSI-HMXFMCBNSA-N 667.794 5.507 5 40 KKBB CCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1OC 409150397 BVNRDRXMTZNOFI-PYCBVSLESA-N 631.707 5.462 5 40 KKBB CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O 409206499 KEXBDAPQUXWGIG-DJKKODMXSA-N 524.473 5.641 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1 409341290 AUQWYZDZCADCCY-ZMOGYAJESA-N 585.560 7.204 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O)N1CCc2ccccc2C1 409380621 AFGBDWFCRFECGB-QFEZKATASA-N 608.470 5.558 5 40 KKBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2ccc(C)c(Cl)c2)c1C 2772018 LXVLTNGFWCCZEH-UHFFFAOYSA-N 501.948 5.608 5 40 KKBB O=C(OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)c1c2ccccc2cc2ccccc12 12312208 OTDPJFIPWKBSLW-SANMLTNESA-N 508.961 6.774 5 40 KKBB CC1CCN(c2c(F)c(N3CCC(C)CC3)c3c(=O)n4c(nc5cc(F)c(F)cc54)sc3c2F)CC1 12417814 ZQNMFCFEUNCTBT-UHFFFAOYSA-N 518.580 6.091 5 40 KKBB O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@@]3(S2)c2ccccc2C(C2=CC=C(Cl)CC2)=NN3c2ccccc2)cc1 59090066 AGCBFZOEDIODJW-MGBGTMOVSA-N 590.108 8.388 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc6n(n5)[C@@H](C(F)(F)F)C[C@@H](c5ccc(F)cc5)N6)nc34)c12 97948486 MGPLOAYWOIKPSY-XJKSGUPXSA-N 574.514 6.796 5 40 KKBB CCn1c2ccccc2c2cc(-n3c4nc5ccccc5nc4c4c(=O)n(Cc5ccc6c(c5)OCO6)cnc43)ccc21 98000197 QYMPIYAJAXPWFU-UHFFFAOYSA-N 564.605 6.188 5 40 KKBB C[C@@H]1C[C@H](N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1Cl 100131350 NHSJVHMTUNJUEZ-WRHNGFHOSA-N 605.434 7.637 5 40 KKBB CC[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)CSc1nc2ccc(Br)cc2c2nc(=O)c(-c3ccc(F)cc3)nn12 101875582 ZMDXPOQWZLPTNJ-UDNQCKOASA-N 582.499 5.239 5 40 KKBB O=[N+]([O-])c1ccc(C2=CSC3=NC4=C(CCC/C4=C\c4ccc(OC(F)F)cc4)[C@@H](c4ccc(OC(F)F)cc4)N23)cc1 102451774 AGKBGYGLVIJTDB-LIABPYSGSA-N 609.601 8.777 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Cl)c1OCc1ccccc1 106727894 ADVJCGJQKLOMQW-XKZIYDEJSA-N 510.955 6.072 5 40 KKBB O=C(O[C@@H]1O[C@H](CCOc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 223535835 DVRUPTGAKAQTGX-GCKSPRBUSA-N 689.761 7.702 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223974495 VECAAXYMFHXMLG-UTONBFNKSA-N 658.777 5.354 5 40 KKBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224353060 DZLKXEHAOUXWPW-MRXNPFEDSA-N 512.459 5.324 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224848892 HOSHIWPMGVXCRJ-AREMUKBSSA-N 540.085 5.646 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224895107 IXTBITCMDJFRMP-FQEVSTJZSA-N 651.569 5.357 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 226693586 YWWYYPITDJESIH-VVHYXOSJSA-N 637.091 7.437 5 40 KKBB CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408554440 DXTLHLBIZLBEMI-XMMPIXPASA-N 519.406 6.658 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1 408567177 GRAJHUGMDVQIAT-DEOSSOPVSA-N 569.481 6.344 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]23)cc1 408728883 VWXFQAHQIYFUNO-MHDNGKQISA-N 665.145 8.054 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408841097 FPBIGJDGGUVSIH-KEPJHFNWSA-N 655.486 6.158 5 40 KKBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 408924347 GZRKUAHEWURUCW-UHFFFAOYSA-N 635.507 5.536 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408991868 ZCFXZWGJCBARSS-VEOKEAFVSA-N 929.527 6.649 5 40 KKBB CCOc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)cc1 408992384 AVSNLHMLWUQLEG-UHFFFAOYSA-N 560.404 7.070 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409109003 ZJWBTNXSWUSETJ-ZUXOAJPSSA-N 665.753 5.184 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1C 409150484 CJYAOWLPPQACDY-FOKLQQMPSA-N 650.429 7.460 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1 409194660 QMQUIPZERUCXNS-DJTCXORXSA-N 711.584 6.089 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 409231541 JSFYRKIFBQVPNL-YDZHTSKRSA-N 675.457 5.471 5 40 KKBB CCn1c(CSCc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409358797 GUKHAGBGMBRADH-UHFFFAOYSA-N 526.471 5.986 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)c(C)c1 409374421 PCLYMHMWIBIILC-QRVIBDJDSA-N 568.076 7.000 5 40 KKBB O=C(OC[C@H]1[C@H](COC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1(Cl)Cl)c1cc([N+](=O)[O-])ccc1Cl 1751548 FICJIEWNSLPRSI-KBPBESRZSA-N 538.123 5.244 5 40 KKBB Cc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)c1 9720437 NZHOLOUWOHZTAR-JZNYMIQASA-N 502.659 5.882 5 40 KKBB Cc1ccc(-c2nn3c4ccc(NC(=O)Cn5nc(-c6ccc(Cl)cc6)c6ccccc6c5=O)cc4nc3c3ccccc23)cc1 97999499 HXQYMDOMLDUFRX-UHFFFAOYSA-N 621.100 7.680 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 100837710 UHWKOJZFHIODKF-YCAMKHIRSA-N 534.355 5.174 5 40 KKBB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 102767783 NOMWOLSPSJFZEY-KMDXXIMOSA-N 507.930 5.088 5 40 KKBB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)Nc1cccc(Br)c1 103083531 OAOHWXXFQJYDHT-XMHGGMMESA-N 572.415 6.578 5 40 KKBB Cc1ccc(NC(=O)[C@H](OC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)c2ccccc2)c([N+](=O)[O-])c1 104347972 LJZDPRZUOQPXDA-UQSNILIGSA-N 552.671 7.281 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305708 TWMOKPBHKNUWGW-UHFFFAOYSA-N 554.003 6.313 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(F)cc1 150394886 MAGQYYIWHNOGBQ-KXAYOSJRSA-N 664.498 6.550 5 40 KKBB O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163225688 WQZSHEFKGBTNLS-QQMBNGEASA-N 681.524 6.690 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222528737 UXDXIBCQRQBDCM-DHUJRADRSA-N 686.831 5.828 5 40 KKBB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 224351489 AWHLQNRDGNORLO-IZZNHLLZSA-N 500.580 5.998 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224396906 VEZRBMXGOCIELL-WJOKGBTCSA-N 646.741 5.484 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224559022 KUQBTPYOORBZNU-WJOKGBTCSA-N 697.641 6.652 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 224691134 CUVCIYSROWAZRZ-KYJUHHDHSA-N 548.624 7.528 5 40 KKBB COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 224926890 XLXRRDOBJXIPIX-MRXNPFEDSA-N 538.428 5.155 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225035712 HAEQMGXYNPODDE-MHZLTWQESA-N 554.474 6.143 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225144858 BYGSTWQURMGZOL-NDEPHWFRSA-N 705.661 6.670 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 225381726 DBHCJQIQGWBFNA-URLMMPGGSA-N 556.644 6.757 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408564927 GMCTUMQBNQZORO-IPEONRORSA-N 542.419 5.493 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)cc1C 408569869 KAKXZJPCZBBAMC-VWLOTQADSA-N 509.031 6.535 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl 408576505 XNJQUMGNCIBBBZ-QHCPKHFHSA-N 579.893 7.234 5 40 KKBB O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1 408581751 AHEMNQATIZLFRW-UHFFFAOYSA-N 572.238 6.603 5 40 KKBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1[N+](=O)[O-] 408643377 ANUPKDFVYDUTAR-UHFFFAOYSA-N 511.918 5.250 5 40 KKBB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)c1 408654940 RALFNDZOVMFUHT-YNPPORQASA-N 707.695 5.955 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408685331 PBIUSIWSZIKDNE-ZYNNUQKQSA-N 692.981 6.906 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408732961 BXJYAVZAJRVADK-IZBTWGKQSA-N 584.437 5.273 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733932 SDDZIBRGSYRZQB-KFOJKGMOSA-N 635.698 5.854 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408923523 FSKNSSPLOTYEOB-CPOYULECSA-N 696.829 7.279 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408936843 IQEUWKISDANQPB-NBQDTTAVSA-N 692.190 6.125 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 409094898 GFYOXVRBDDMIIN-VVGPUZASSA-N 709.806 5.586 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409167636 IZDDHMFAXZREHX-XKZIYDEJSA-N 534.550 5.083 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(Cl)cc1 409172666 FIJJBCZMLNDWTN-SRZZPIQSSA-N 554.924 5.624 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c1 409174565 NPYKVLSSAKPSHJ-SSDVNMTOSA-N 566.573 5.692 5 40 KKBB COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409181027 YRPZPVSOPVLODD-UHFFFAOYSA-N 655.830 7.196 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409183885 WAFYYIGSRIJVGY-WYMPLXKRSA-N 568.007 5.819 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)c1ccc(Br)cc1 409223665 JEAOMQDDBSWQQJ-ZVHZXABRSA-N 502.389 6.675 5 40 KKBB CO[C@H](C)C1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5[C@H](C)O)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C 2242101222 AEWMCYQDHSDWMG-LEWJYISDSA-N 612.727 6.763 5 40 KKBB COc1ccc(Oc2cc(C[C@H]3c4cc(OC)c(OC)cc4CCN3C)c([N+](=O)[O-])cc2OC)cc1OC 1728459 ZXMMPJVLFAYCRR-QFIPXVFZSA-N 524.570 5.202 5 40 KKBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C(=O)Nc2ccc(C)c(Cl)c2)c1C 6599487 YWFXMKBQUBQSJS-UHFFFAOYSA-N 536.393 6.261 5 40 KKBB COc1ccc(CSc2nnc3c4sc5nc(-c6ccccc6)c6c(c5c4ncn23)CCCC6)cc1 9129178 UAQAPWNUFQZWSD-UHFFFAOYSA-N 509.660 6.734 5 40 KKBB COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccc([N+](=O)[O-])cc1 73351815 XITQLCWFMHHBLB-UHFFFAOYSA-N 528.565 5.124 5 40 KKBB C=C(/N=c1/c(C(=O)OCC)cc2c(=O)n3ccccc3nc2n1CCCOCC)c1ccc(C(C)(C)C)cc1 101153603 YHPTXIMVDOQIST-BLCKFSMSSA-N 528.653 5.122 5 40 KKBB O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)/C(=C/c2ccc(F)cc2)CCC1 102901831 HIYYGFKEMCPOEG-ZIHKIDLISA-N 541.579 5.669 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1cccs1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 103554053 PPCVFMUUBPASDY-PJGOFDOSSA-N 561.619 5.903 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 106737595 SRCVITFUWNJABU-GYRAYZOKSA-N 597.989 5.240 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 150640419 GZVATDIWKDMFSO-OINPTKSXSA-N 626.090 6.066 5 40 KKBB C[C@H](c1cccc2ccccc12)N([C@H](C)c1cccc2ccccc12)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 161819603 KEIZMADKDYGTFM-LOYHVIPDSA-N 639.735 13.363 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c2=O)=N1 163457800 JDNBTNDDSNPRAX-FVUNBJOLSA-N 686.743 6.319 5 40 KKBB O=C(OCC1(COC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCC(COC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)(COC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1=O)c1ccc([N+](=O)[O-])c(Cl)c1 195528864 IOIYABAWLCSYKU-UHFFFAOYSA-N 938.422 7.997 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 215208646 WACROGACLFMNRB-FSJBWODESA-N 647.403 6.535 5 40 KKBB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 223442022 VXFJWXLRQHCUBC-UIOOFZCWSA-N 516.579 5.440 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224444750 PWMPPJPLCIJAAM-OAQYLSRUSA-N 538.428 5.155 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(Cl)cn3)cc2)cc1 224784718 JMFHUYZESSVXFD-WUFINQPMSA-N 585.114 7.157 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224989772 KROYFGFQUQBTJV-HHHXNRCGSA-N 564.480 5.599 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225313566 YDCHOYGRHCOWGK-GDLZYMKVSA-N 701.242 6.025 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225466819 GANVIHLHDFTULR-JGCGQSQUSA-N 646.741 5.486 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260991321 PZOVDFYASXABTO-HOFKKMOUSA-N 659.205 5.791 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(Cl)c1 408569208 JCKAWDOCHWLJGZ-XMMPIXPASA-N 638.371 7.733 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 408572490 RHOWRWTZBQZUFX-VWLOTQADSA-N 569.481 6.344 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Cl)cc1 408645216 HTUALBOHMTWGLK-RAWLKHAVSA-N 592.007 5.381 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408679461 FFHQJLDBSXCRIW-HCXPYDJZSA-N 563.997 5.698 5 40 KKBB CC(=O)Oc1c(I)cc(I)cc1/C=c1/sc2n(c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408771400 HUZFLFNVFILVTA-DJTCXORXSA-N 775.362 5.361 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc(Cl)cc1 408778835 MEFUKQZZAFRWBC-HAWPWTPLSA-N 650.156 6.858 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C)cc1 408832167 QDSGEOGVSQHSFL-CBYYHRJHSA-N 608.470 5.037 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1nc(Cl)ncc1F 409270549 HFCPYVQRXKCJDO-VXLYETTFSA-N 530.921 5.605 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(Cl)cc3Cl)C2=O)o1 409399474 JADXECPZZKWEFH-WSVATBPTSA-N 625.215 5.716 5 40 KKBB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 13898250 UFBMPHOSIYFAJT-LZKSSZAGSA-N 516.941 6.593 5 40 KKBB O=C(NCc1ccco1)c1ccc2c(c1)nc(SCc1cc(=O)n3cc(Cl)ccc3n1)n1c3ccccc3nc21 50861796 QUURCLZHCAYKQK-UHFFFAOYSA-N 567.030 5.512 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@]12C(c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)N(c2ccc(C)c(C)c2)N=C1C 102572839 MPZOSKBBYXZCJU-PGSZONDNSA-N 535.604 5.744 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 103083883 NSPVYALAIVKRDQ-UHFFFAOYSA-N 535.887 6.339 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103520132 AWALKTLCXQTGLT-KHLUAOTOSA-N 571.589 5.585 5 40 KKBB COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(OC)c(OC)c2)cc1OC 104072107 VHAYLQVBACKSHU-OZEVIGNBSA-N 557.603 6.066 5 40 KKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 105024122 AIZDSDXVTRPBKS-NTUHNPAUSA-N 533.795 6.978 5 40 KKBB Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 105305858 YLIVYVJBZYFLAT-UHFFFAOYSA-N 531.594 5.534 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 139819111 RQYHDACXIAQQCL-QHCPKHFHSA-N 579.708 5.496 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 150391810 UBDVGMBZVBDAFB-OINPTKSXSA-N 642.089 5.766 5 40 KKBB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224454882 VSDBLOYWNLVNGL-SANMLTNESA-N 651.569 5.357 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225031707 PGUGUYQSOZUICN-XZOQPEGZSA-N 645.178 5.401 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261023088 IPFXSNLYQQSKLD-OAQYLSRUSA-N 631.151 5.093 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 408565217 BHWWYNLSFNUZOQ-VWLOTQADSA-N 559.475 6.970 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 408570910 MHPOMAZCZDYYTK-MHZLTWQESA-N 534.638 5.981 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)cc1C 408573030 SFLHCIKXMBYHLJ-VWLOTQADSA-N 509.031 6.535 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408576507 XNNYSQKNBAKPGS-HSZRJFAPSA-N 579.893 7.234 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408649454 YHMJWHDDFGUZRH-UHFFFAOYSA-N 905.959 9.280 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409037234 MGQZAFMHBWKWCK-PNQAETMRSA-N 766.667 6.243 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 409099853 MAAZYYKNPTYSKW-CBPRFPNYSA-N 679.780 5.572 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC 409108143 VGOYPHXPBBCVND-XNMXCUJWSA-N 649.773 5.332 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409160968 RUWRKNXDWNMIGD-NDENLUEZSA-N 540.941 5.119 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccc(Br)c(Cl)c1 409204996 FCMDKUJVFWRCGS-YDZHTSKRSA-N 551.849 7.084 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 409331607 OPCDSUMGXXFOMJ-DICXZTSXSA-N 554.628 6.396 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc([C@H]4N[C@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1)c1ccccc1 409333011 AJUVJAPIDHFOKF-JTSKRJEESA-N 538.632 5.396 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)o2)cc([N+](=O)[O-])c1C 409341530 BNEQSNKXOXNATQ-SRZZPIQSSA-N 603.394 5.751 5 40 KKBB O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 409412467 MYAXAUVWJRODGM-UHFFFAOYSA-N 516.366 5.586 5 40 KKBB COc1cc([C@@H]2c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3N=C3C(O)=Nc4ccccc4N32)ccc1OC(F)F 3309685 IDANWEMDIXPLAT-HSZRJFAPSA-N 546.490 5.940 5 40 KKBB CCOc1ccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(Br)cc2)cc1 3442159 IRFHPCWYCSCWKF-UHFFFAOYSA-N 539.411 5.979 5 40 KKBB O=C1S/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 6144722 KNEBCDGOTFIYFW-BHGWPJFGSA-N 538.412 7.141 5 40 KKBB CCc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 8833184 LUMCOAXMSQBTMC-UHFFFAOYSA-N 515.595 5.692 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)ccc1[N+](=O)[O-])c1ccccc1 8916679 SNLWAWBBHVMWOO-BEBFYNPSSA-N 525.436 6.437 5 40 KKBB O=C(c1cc(Cl)ccc1[N+](=O)[O-])N(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1C(F)(F)F 102233284 ULVAUIYMDMHAQF-UHFFFAOYSA-N 528.226 6.316 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccccc1C(F)(F)F 102921380 PJKNYGNZONZLJF-IWBSIUBASA-N 538.526 5.091 5 40 KKBB COc1cc(-c2cc(C(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)c3ccccc3n2)cc(OC)c1OC 102976580 SINOWCHZIMKCOQ-UHFFFAOYSA-N 606.638 5.377 5 40 KKBB CCOC1(OCC)Oc2c(c3ccccc3c3ccccc23)/C1=C1/c2c(c3ccccc3c3ccccc23)OC1(OCC)OCC 104225902 KLRRDUVXTACIQH-ULDVOPSXSA-N 612.722 9.449 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 104487214 DSNGLWWSGSFMPK-UHFFFAOYSA-N 585.741 7.173 5 40 KKBB CC1=CC(C)(C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 105513350 DDCSDGFUWZQICU-UHFFFAOYSA-N 578.712 8.749 5 40 KKBB Cc1ccc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)oc2c1 112239997 UNLLDBQWIKWJTP-UHFFFAOYSA-N 552.012 5.328 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1cccc(C)c1 215021288 YGVUOYAGKYZIOV-MFKUBSTISA-N 547.589 5.556 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223530903 RHVFECYNXRQJDH-IBVKSMDESA-N 554.043 5.190 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224907524 XTDYYWNVMQUCPC-HKBQPEDESA-N 649.169 5.608 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1)Nc1cccc2ccccc12 225710904 XJQRAUCDRLLZQW-KYJUHHDHSA-N 562.655 5.935 5 40 KKBB C[C@@H](NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@H]2CC[C@H]1C2 245228452 YWTZHPUSGYJAHZ-NARAOEGZSA-N 570.893 5.147 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261045648 ZFVGJQDRLFBEMN-KCWPFWIISA-N 659.205 5.791 5 40 KKBB CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C)cc1 408555182 WBWMCWAMNSURCN-UHFFFAOYSA-N 532.334 5.738 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)c1 408566288 FFTDARAXOYVWRE-XMMPIXPASA-N 573.900 6.989 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408568701 IJLHICBSVFOECA-BWBSTZKSSA-N 572.843 5.258 5 40 KKBB CCn1c(S/C(=C\c2cc(I)c(O)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633308 JUWHGXAHSLVPQP-DHDCSXOGSA-N 572.768 5.055 5 40 KKBB Cc1ccc2c(Cl)c(C(=O)Nc3ccccc3C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)sc2c1 408710465 KGFKXTOAIRZUAO-UHFFFAOYSA-N 533.953 6.326 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408827300 JAPJBAQBIKPOPA-POKSHJSXSA-N 639.661 5.642 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc2ccccc12 408919003 ROZRJKYHNKLDFG-PKYOQBLNSA-N 579.634 5.428 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(Cl)cc1Cl 408919041 RXDWUTLNPRWCEJ-WYMPLXKRSA-N 559.427 7.116 5 40 KKBB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCCC6)cc3[N+](=O)[O-])sc2c1 408991735 PCHFEJUEHNCIIJ-RTBURBONSA-N 657.799 7.682 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c2=O)=N1 409033162 NFUKVQLOEIGODN-BIWBSIMWSA-N 664.534 5.057 5 40 KKBB Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4Cl)n3N)n2)cc1[N+](=O)[O-] 409161033 SQUNANMFGXXACN-UHFFFAOYSA-N 536.426 5.037 5 40 KKBB COc1ccc(-c2cc(-c3nnc(COC(=O)c4cccc([N+](=O)[O-])c4C)o3)c3ccccc3n2)cc1OC 2634421 AWHDOPZZUHIEHD-UHFFFAOYSA-N 526.505 5.543 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(CC)=NN2c1ccccc1 9348366 IBWVZKIQIBDFDM-AREMUKBSSA-N 501.568 5.469 5 40 KKBB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12563345 INNWQKJIPMWIHP-UHFFFAOYSA-N 520.969 5.117 5 40 KKBB O=C(OCc1ccccc1)c1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 15911331 VVSSUDPHBSDKQG-UHFFFAOYSA-N 502.548 5.347 5 40 KKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1cccc(C)c1 15981899 OLJDOBKGRSHKNA-UHFFFAOYSA-N 514.567 5.372 5 40 KKBB Oc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1 49776381 QMONKZRPMBDZDY-UHFFFAOYSA-N 630.751 11.029 5 40 KKBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 59882789 KPQQFLSGASKKPT-UHFFFAOYSA-N 615.089 5.191 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 101673226 TWEYRJRCWKGVMN-WFPUBZAHSA-N 585.572 5.180 5 40 KKBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 106015734 ZOBFGCHQGWUOAD-ZONZVBGPSA-N 606.012 5.067 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 111465667 RMJFDIQGCHBGAD-ZHGFHMGHSA-N 607.644 5.112 5 40 KKBB O=C(Nc1cccc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 150484995 GLAWVWPCQHSZIA-DLJDGCESSA-N 636.642 5.157 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 163709529 VKYVFZOFCOFQBH-YVBHXKDBSA-N 631.732 5.016 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 214049702 NUJVTGXOXRFFKL-OEAKJJBVSA-N 616.433 6.414 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214056299 QDBYIEVFSWVRQG-YDZHTSKRSA-N 544.507 7.041 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222531201 FGOVWSLCYFRYCN-VWLOTQADSA-N 665.596 5.746 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 222665902 SDIHHXARNZVCCK-AREMUKBSSA-N 554.043 5.048 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223216526 PNWLGVRNSUMTOA-OAQYLSRUSA-N 665.596 5.748 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 224998485 BSCXZPTVTNUSQC-FQLXRVMXSA-N 574.106 7.317 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225021820 GUNVCARHAXIZHS-UMSFTDKQSA-N 798.156 7.222 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 225226114 PJPSTMGHKICRPK-IZZNHLLZSA-N 529.578 5.012 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225718738 FMBLNLQSFHXCNH-MGPUTAFESA-N 526.417 5.011 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408565709 CWBXVXCUPILQRK-IBGZPJMESA-N 564.263 7.624 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)cc1C 408571876 PSZDIFPGFNKDQE-RUZDIDTESA-N 553.482 6.644 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 408572349 QYCJBIXRYFUUQH-DEOSSOPVSA-N 559.019 6.075 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Br)cc1 408613047 WUHUUJWUSNCLKH-UHFFFAOYSA-N 536.220 6.710 5 40 KKBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408689742 YYSDPDCNIRERID-UHFFFAOYSA-N 597.194 5.753 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408836223 ZVLMOAZCNMMONP-ITNPZBTBSA-N 692.588 5.835 5 40 KKBB Cc1ccc2c(Cl)c(C(=O)Oc3ccc(Br)cc3/C=C3/N=C(c4ccc([N+](=O)[O-])cc4)OC3=O)sc2c1 408841273 FDTPTAFFZXDYLL-XDHOZWIPSA-N 597.830 7.098 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)cc1 408844487 JNGICUILGRSETA-HZHHUVPKSA-N 804.517 7.285 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccc2ccccc12 408919261 VLCKVLXMOLYUCS-ISZRBDKASA-N 635.698 5.447 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)cc1 409023617 ISFLPNCCLDURKC-QGMBQPNBSA-N 515.309 5.001 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CCOc1ccccc1 409052690 VLMWVKCCLPWMFC-HMAPJEAMSA-N 634.302 6.814 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409180452 SZDXKIIDAOBXDE-SANMLTNESA-N 575.360 6.483 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1 409188038 FGYQQHXDRJDDGU-SODCYNRPSA-N 800.706 7.042 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Br)c(Cl)c1 409206189 MZEBFILGMCDZAY-JJFYIABZSA-N 602.850 6.265 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409216665 NNPRVOOGLFYNAM-WSDLNYQXSA-N 613.396 5.006 5 40 KKBB COCCCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409229493 PXTOMUWKUCHEDS-WOJGMQOQSA-N 680.258 5.456 5 40 KKBB O=C1S/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 409271636 KUBPIUKHQIFGHK-JMIUGGIZSA-N 520.872 7.300 5 40 KKBB COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 409315840 XCKCLRJXSKVZER-UHFFFAOYSA-N 598.033 5.892 5 40 KKBB CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NCCc2c[nH]c3ccccc23)cc1 2201463 BYZLLQSHRFSMKH-OVVQPSECSA-N 510.594 5.503 5 40 KKBB O=C(Nc1ccccc1C(=O)O)c1cccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 3186864 WPRYDEHBBCGTLV-UHFFFAOYSA-N 523.457 5.138 5 40 KKBB O=C(OCc1csc(-c2ccccc2)n1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3409174 QSNBUBSDRPFWBH-UHFFFAOYSA-N 516.522 7.245 5 40 KKBB C[C@@H](Nc1cc(N2CCN(C(=O)c3cc(F)c(F)cc3Cl)CC2)ccc1[N+](=O)[O-])c1ccccc1 8816346 FODVQDZJVJGBFM-MRXNPFEDSA-N 500.933 5.662 5 40 KKBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n(-c2nc3ccccc3n2Cc2ccccc2Cl)n1 9015193 XXZRZKBBIOYVSE-UHFFFAOYSA-N 500.946 5.701 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 16610998 OYCHKVVXEADPAK-INIZCTEOSA-N 504.568 5.809 5 40 KKBB COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)ccc3o2)cc1Br 100957598 GUSZUJBNMAKELD-UHFFFAOYSA-N 572.353 5.209 5 40 KKBB Cc1nn(-c2ccc(Cl)cc2)c(O)c1[C@H](c1cc([N+](=O)[O-])ccc1O)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O 101527151 LQHSYCSRJXGYFC-RUZDIDTESA-N 566.401 5.775 5 40 KKBB Cc1ccc([P@](=Nc2ccc([N+](=O)[O-])cc2Br)(Oc2cccc3cccnc23)C(C)(C)C)o1 102936861 HEXCOTKSAITLHE-XIFFEERXSA-N 528.343 7.758 5 40 KKBB Cc1cccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)nc3ccccc3c2=O)c1C 103092967 JHTKLFBDOGLCDP-UHFFFAOYSA-N 528.512 5.660 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(C)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1 104656853 LPFYHYNKGQSGMX-MRWVFDTMSA-N 575.646 5.804 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 104676632 RBNYXFMHEYBQMC-JLKMOJGBSA-N 599.709 6.179 5 40 KKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 105236058 QPTNJKNCDZAYOH-ZZXKWVIFSA-N 599.418 6.417 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc4ccccc4c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 105981073 OSWIZGQMHLNIQU-YUMHPJSZSA-N 526.570 6.572 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccc(OCC)cc2)sc2c1CCCC2 150390244 ZYKZDHCYAVHHFF-UHFFFAOYSA-N 664.766 5.352 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c2=O)=N1 150392470 DPKAVMULFDZZRX-WGJPBTIMSA-N 653.713 5.917 5 40 KKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2nc(SCC(=O)Nc3c(Cl)cccc3Cl)sc2c1 150575757 PRBNTMWMUWVONG-UHFFFAOYSA-N 636.589 7.583 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 163466261 FYSMDZHCEGYKBE-HZHHUVPKSA-N 704.643 6.952 5 40 KKBB O=c1sc2c(n1-c1ccccc1)S[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H]2c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl 170620926 RIYNVJGXIKZELI-OAIYOMOFSA-N 577.127 7.692 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1 214221701 XTIZYIPFJZTSPB-UFFVCSGVSA-N 597.340 7.544 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214369840 JTCTYHLNUNHGSL-ZVHZXABRSA-N 508.527 5.948 5 40 KKBB CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224769002 SPLJXYOTBKJVDT-UIOOFZCWSA-N 529.691 6.875 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225718002 AHCSQCGPRDYJOC-QFIPXVFZSA-N 675.602 5.059 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260924624 AIHHIUOLZDGDPX-MGBGTMOVSA-N 719.658 6.252 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260992512 QGPOTRAOJVFNDM-PMACEKPBSA-N 621.543 5.429 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261036472 YDVICDUKBZFOTL-OAQYLSRUSA-N 677.607 5.890 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O)N1CCCC1 408550045 CZEATWLXEACRGR-YBFXNURJSA-N 521.473 5.065 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1cccc2ccccc12 408565930 DHKJGGFDXJJEFN-GDLZYMKVSA-N 540.645 6.735 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408570719 LZHOCEGAGOHEQY-HSZRJFAPSA-N 658.789 7.996 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408751945 AOOJQVAIYNZMMJ-VZVSMJQGSA-N 626.734 6.259 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(C)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409047773 PKXWROMDZQYJDA-FZTAYZORSA-N 522.557 5.344 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409089841 KMRMJXVFFYSBDU-BIQRORRISA-N 510.977 6.289 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409105075 GCKCJGNBZSBHJR-DFXMODJXSA-N 652.729 5.442 5 40 KKBB COCCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409222823 XQMBWOQDSLCENT-XDHOZWIPSA-N 537.388 5.018 5 40 KKBB CC1=C[C@@H]2N(c3ccc(C)cc31)[C@H](C(=O)c1cccs1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 1311091 KSFYBRZTBGDRCL-AGKKXDHOSA-N 575.646 6.211 5 40 KKBB CC(C)(C)c1cc(C(=O)NCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1 10041914 FRHATIIXHPNCBV-MUUNZHRXSA-N 530.621 6.087 5 40 KKBB COc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)c3c(N)c(C(=O)Nc4ccc(C)cc4)sc3n2)cc1 12250520 IFDXOQCZQZPFBC-UHFFFAOYSA-N 510.575 6.690 5 40 KKBB CSc1ccc(-c2cc(C(=O)O)c3cc4c(C(=O)O)cc(-c5ccc(SC)cc5)nc4cc3n2)cc1 16248775 DRAOSWTVNNWPQR-UHFFFAOYSA-N 512.612 6.957 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@]12C(c1ccc([N+](=O)[O-])cc1)[C@@]21C(=O)N(c2ccc(C)cc2)N=C1C 17993324 COQYXQQDYVMWJJ-LNFXKIIUSA-N 507.550 5.127 5 40 KKBB CCCc1sc(N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccccc4)c3)CC2)nc1-c1ccccc1 20595780 BACQBUQQKKNZIS-UHFFFAOYSA-N 513.667 6.610 5 40 KKBB COc1cccc(NC(=O)CSc2nnc3c4sc5nc(-c6ccccc6)c6c(c5c4ncn23)CCC6)c1 97952606 LSJCWLQUQQQBBZ-UHFFFAOYSA-N 538.658 5.782 5 40 KKBB Cc1nnc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccc(OC(F)(F)F)cc2)s1 101140191 FJWMQSDUVXARTM-UHFFFAOYSA-N 536.517 5.237 5 40 KKBB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101672618 SBACVMWRUYNGQB-GGKJBDKJSA-N 585.572 5.305 5 40 KKBB CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1OCC 102462615 JLVSUSJIVUCXBT-GDLZYMKVSA-N 633.742 6.009 5 40 KKBB CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(O)=C2[C@H]1c1cccc([N+](=O)[O-])c1 102641101 JVQPQRRIROLYSC-WKRVVKTRSA-N 527.596 7.864 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@@H]2C1=O 104009060 GEKDPSFYKQVZRU-UWVYSXLVSA-N 601.615 5.326 5 40 KKBB Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cccc1-c1nc2cc(Cl)ccc2o1 112239867 JSGXZMIXABOLHP-UHFFFAOYSA-N 552.012 5.328 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccccc1Cl 215004984 LXJQVZGSJFQXNA-YDZHTSKRSA-N 510.955 6.072 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223489381 MAPRXLYYQYRWIV-IBGZPJMESA-N 526.417 5.011 5 40 KKBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224735472 WYAAFSFDMGKYPG-QGZVFWFLSA-N 534.476 5.067 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225243821 NSDNVSPUFCFTMI-JOCHJYFZSA-N 552.455 5.545 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1NC(C)=O 225333689 UBZDZOSXOWNEIA-CLJLJLNGSA-N 529.578 5.394 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 225639991 XGPDMGUNLKPOGQ-NSOVKSMOSA-N 541.633 5.868 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260902191 VCWYBPRECVHTFM-MGBGTMOVSA-N 693.222 5.925 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260964519 ZZUDWPIQLSYVAY-MGBGTMOVSA-N 786.145 6.935 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260977171 NKHQWEKVTMQLHU-CUNXSJBXSA-N 675.204 5.491 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260998322 PEGUWICOXUONHJ-UUWRZZSWSA-N 753.705 7.113 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 408567776 HJEXGBMVYLBTOT-ACUUJPJHSA-N 532.811 5.794 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(Cl)c1 408568649 IDUUYHNRCHFCFE-AREMUKBSSA-N 631.980 7.696 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)C(=O)O)n[nH]2)c1 408634944 YERRBDQIXAXCTN-MTJSOVHGSA-N 508.512 5.183 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408758568 MUMSQGGGJKTVKM-FPWMYLJGSA-N 835.527 6.965 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408999489 LJDMILBGLXUBBB-QZVQSRICSA-N 727.842 5.642 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(SC)cc1 409000279 YHPIPPNQTRVVPE-CTIXHBHKSA-N 774.924 8.690 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409041083 IDVUBBIQRXFIPL-CGWFDZAZSA-N 522.557 5.344 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c2=O)=N1 409046521 KLAJDWREJLUVCS-FQKMCRJQSA-N 686.968 6.171 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3c4ccccc4cc4ccccc34)c2=O)=N1 409049409 QRYSVHPDPFHHNY-OGMUYLFESA-N 597.136 6.547 5 40 KKBB O=C1N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F 409065677 KFNFVVUMJLDVMJ-CIAFOILYSA-N 526.318 5.168 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409099732 SJOBTDVMHWKAGC-CUJRCQHQSA-N 695.779 5.198 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(Br)cc1 409160561 RKLKWFMUBXIRTA-VXLYETTFSA-N 562.785 5.946 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Br)cc(-c2nc(O)c3ccccc3n2)cc1Br 409265073 MMFBWHAQVJTUIY-UHFFFAOYSA-N 585.130 7.247 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409275837 LVAOFDXVSQXVEC-RGVLZGJSSA-N 502.426 5.793 5 40 KKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)ccc12 2150348 WONYHOZVPOTYFV-VWLOTQADSA-N 542.588 5.786 5 40 KKBB biogenic C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1 2799040 KKADNYKWOPGFTK-INIZCTEOSA-N 524.524 6.857 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 8898972 IVIBOFLXGWOHOZ-SOFGYWHQSA-N 504.782 7.484 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 22825812 UEZBASHBSZLRED-UHFFFAOYSA-N 502.600 5.415 5 40 KKBB COc1cccc2c(SCC(=O)Nc3ccccc3-c3ccccc3NC(=O)CSc3c4ccccc4nc4c(OC)cccc34)c3ccccc3nc12 95551819 ULLCQWOVPRVLAE-UHFFFAOYSA-N 746.914 10.235 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc([C@@H]5CCCN(S(=O)(=O)c6ccc(Cl)cc6)C5)nc34)c12 98046162 IJZBKXXFQISSDQ-CYBMUJFWSA-N 567.018 5.436 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)cc2[N+](=O)[O-])cc1 100368208 SAESGPXFEYNQMW-ONUIUJJFSA-N 590.683 5.566 5 40 KKBB CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccc(OC)c(OC)c1 102875235 DSCIVNJGQHNIGS-WYOOIXGGSA-N 569.658 7.742 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1cc(Br)ccc1Cl 102921460 SWSDSTQLXHRNQQ-QFMPWRQOSA-N 583.870 5.488 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(OCc5ccccc5)c(OCC)c4)N(c4cccc([N+](=O)[O-])c4)O[C@H]3C2=O)cc1 102974279 XFILOKFZRPTWTH-WIHCDAFUSA-N 623.662 6.412 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 111469807 OPUJPEXYWSNMMN-CLNXTWJPSA-N 607.644 5.112 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c(=O)n31)c1ccccc1CC2 163195683 APYLWRIVRCDCCD-KOHOJCOXSA-N 632.654 5.936 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 223915131 MNKUYRJNQXWSQT-UIOOFZCWSA-N 515.595 5.502 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccncc3)cc2)cc1 224764621 URXACJYSYMMQKK-VSGBNLITSA-N 550.669 6.504 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c(OC)c1 224822616 WDWBUQZCCRUXSN-UIOOFZCWSA-N 532.578 5.453 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225073069 UMQFQXBWFPIKSF-SSEXGKCCSA-N 606.745 5.355 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225351338 YULZFMPOZGPWNN-GDLZYMKVSA-N 580.150 6.570 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NS(C)(=O)=O 225464392 RKPJSSSPIOGLKA-LOSJGSFVSA-N 549.634 5.107 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)o1 225621250 DCEYONQXUZJBQB-SVBPBHIXSA-N 561.595 5.399 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 408564783 AFAPWBIWNXPCQJ-HHHXNRCGSA-N 518.639 6.280 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c1 408571842 PRVUECSQGUOHLY-XMMPIXPASA-N 540.001 6.135 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 408608002 LMWFERZFAQKHLE-UHFFFAOYSA-N 534.794 5.957 5 40 KKBB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccc([N+](=O)[O-])cc1 408647918 BXYMQOGSSILDCC-KBKVPSQQSA-N 655.490 5.525 5 40 KKBB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 408736611 DUWCGHLAPNWHHO-NRFANRHFSA-N 507.572 5.132 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])C1c3ccccc3C2(Br)c2ccccc21 408917960 DELZLAOSQSNHAW-ISQHLFTMSA-N 509.743 5.151 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409174809 VKMAXBXDBQUROV-WGOQTCKBSA-N 561.616 5.810 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 409234752 MDHNDGCXEDFUHQ-YDZHTSKRSA-N 584.006 5.519 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccccc1Cl 409237595 AFWBZOADXGIBKV-SRZZPIQSSA-N 637.295 6.918 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409271987 XDQOONFSFKXGEO-LSFURLLWSA-N 609.485 6.368 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc(I)cc1 409334133 UGIQCNSSFLRJHY-LPYMAVHISA-N 615.405 5.453 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@@H](c1ccc(Cl)cc1Cl)N1C(=N2)C(O)=Nc2ccccc21 2365443 IEJOTKQXKICDEZ-JOCHJYFZSA-N 519.348 6.637 5 40 KKBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1ncc(Cc2ccc(F)cc2)s1 6161493 BWYMSPBKWBXIKN-UHFFFAOYSA-N 546.609 5.760 5 40 KKBB Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 14277837 CIORYMNHKZBVSG-UHFFFAOYSA-N 506.946 5.762 5 40 KKBB CO[C@@H]1[C@@H](N(C)C(=O)c2ccccc2)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 100006889 BMGQWWVMWDBQGC-PSAZJTTOSA-N 570.649 5.907 5 40 KKBB in-vitro CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc21 100022247 FIOVTUPMCYRACU-RCCKNPSSSA-N 531.366 5.354 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@@H]1C(c1cc([N+](=O)[O-])ccc1O)[C@H]1C(=O)N(c2ccc(C)cc2)N=C1C 100922633 YJYOGLFWUVHCQS-UIOOFZCWSA-N 525.565 5.079 5 40 KKBB CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 102969902 UNDIMEQHGWFOKV-LJAQVGFWSA-N 513.594 7.838 5 40 KKBB CCCCCc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103060461 RTWWHVYTDFRGAQ-QGJGWMSESA-N 625.725 7.574 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccccc1 164509754 GYQQYDOAZUHOHG-PLNPHXOGSA-N 696.579 6.185 5 40 KKBB CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 169675595 NZCRJKRKKOLAOJ-KOPWYESNSA-N 785.891 6.158 5 40 KKBB in-vitro COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 224549116 PWNCRLIAJMWJOF-RPBOFIJWSA-N 502.552 5.444 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260881986 CCUVVBSFCYENMJ-RTWAWAEBSA-N 665.596 5.746 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1ccccc1 408577361 ZAYBCHSHQNYVNO-QHCPKHFHSA-N 543.418 6.166 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 408917590 XYUBMICWLHKRSH-WYMPLXKRSA-N 614.430 6.480 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)cc1C 408929767 NVNNGZHHBWQRRM-VULFUBBASA-N 540.601 5.890 5 40 KKBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O 409009741 HVORRNJTZKTIOE-MQMKENTISA-N 534.974 5.214 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409192744 ZZTOATBCHULICT-FSJBWODESA-N 589.851 7.229 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409247556 IFPNAUYOLGSKDI-ZVHZXABRSA-N 579.009 5.320 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409260865 XQYDQSIMRLAQDV-AFUMVMLFSA-N 687.512 6.469 5 40 KKBB O=[N+]([O-])c1ccccc1SNc1ccc(Cc2ccc(NSc3ccccc3[N+](=O)[O-])cc2)cc1 3182393 OALWQRPHGLFHRU-UHFFFAOYSA-N 504.593 7.332 5 40 KKBB Cc1ccc(C)c(-n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc3sc4c(c3c2=O)CCCC4)c1 3309390 NHKYSQWPHZKVTO-UHFFFAOYSA-N 535.647 6.010 5 40 KKBB C[C@@H](c1ccco1)N(C(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccn1 8686788 UEEVIRZBHZSJEG-INIZCTEOSA-N 526.958 5.445 5 40 KKBB aggregator Cc1c(Cl)c(C)c(Cl)c(OCC(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1Cl 8898710 VZCVYABHZDMWIE-UHFFFAOYSA-N 507.201 5.553 5 40 KKBB COc1ccccc1-n1c(SCC(=O)c2ccc(SC(F)F)cc2)nc2cc([N+](=O)[O-])ccc21 12495080 LNISRJCCACFABI-UHFFFAOYSA-N 501.536 6.232 5 40 KKBB CC1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(c1cccc3ccccc13)=NN2c1ccccc1 103757310 DMDYVFWRJNVAOZ-JGCGQSQUSA-N 541.636 7.718 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306263 LUIYMHRKZFAETO-UHFFFAOYSA-N 553.600 5.520 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(-c2cccc(Cl)c2)o1 112232176 LNTIMFIKGNPLJA-UHFFFAOYSA-N 538.935 5.364 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163635360 HDKBWCDNSPUHGC-LMSRTUJASA-N 766.976 6.643 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223911351 LPRDMUAMMHBEKX-CCLHPLFOSA-N 588.557 6.690 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224101970 SGIFCJOXNVAJIO-NRFANRHFSA-N 675.602 5.202 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224339297 QZEKHOJCCGCDGS-YTTGMZPUSA-N 741.694 6.969 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224496220 SSFHHVSVUKLTSZ-HKBQPEDESA-N 707.647 6.107 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225035170 WWUNWUXFVOCGMF-MUUNZHRXSA-N 600.568 6.834 5 40 KKBB COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408559396 ZRKOBUIBGKVDTN-HSZRJFAPSA-N 596.830 6.219 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1ccc(F)cc1 408565691 CTQLLGAWICWRHM-QHCPKHFHSA-N 612.308 7.473 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1ccccc1 408567189 GRISOGWJKSNEFM-HSZRJFAPSA-N 543.418 6.166 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H]3[C@H](C)N[C@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Cl)cc1 408569414 WQKIERZRQVVRAE-VAGHYTQDSA-N 512.393 5.449 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1C 408577277 YXTWMEGNALFBNW-VWLOTQADSA-N 622.372 7.951 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 408720527 SYXDGXYAGGCJTK-KNWZFJHESA-N 506.558 5.701 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1 408764941 APCUKDXDYJCMPK-ITNPZBTBSA-N 596.064 6.149 5 40 KKBB O=c1/c(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408776406 OFIIOGYDGHCPQH-OIUASMPBSA-N 620.618 6.067 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408833696 UNSJWMASKZNTFP-MIUGUJGPSA-N 682.582 6.380 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408849624 XFMIARPVKZILAH-YVBHXKDBSA-N 644.662 5.194 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408937511 JOOLDGNYMRDPLV-GSTVVXAASA-N 657.745 5.471 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408941001 PAHXULSKAGTMKP-UAMLYEQYSA-N 769.614 5.686 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408944293 UUQZVWPCFFXFSC-UNDLXJOSSA-N 613.692 5.073 5 40 KKBB CCN(CC)c1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)cc1 409000887 NOXXQBVVIOGJHV-UHFFFAOYSA-N 514.969 6.792 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 409043211 YFONZOTXTARYKT-JLHDDXNDSA-N 613.692 5.073 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409156325 NMKGZNQSYKSJNL-WYMPLXKRSA-N 601.559 6.706 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 409179381 QVQVZOAAQQMSRE-UHFFFAOYSA-N 620.570 7.802 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409196847 YEWNARBWJZYNOU-JJFYIABZSA-N 568.995 5.818 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 409236670 SYSRQTNKGWGJBM-CIAFOILYSA-N 571.373 5.021 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409352483 VZYGCOSCZSJPPR-HXUWFJFHSA-N 585.901 6.024 5 40 KKBB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 684429 UZPAEGHVFRTENU-XMMPIXPASA-N 503.540 5.571 5 40 KKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 3304936 VUNFFXUJTZIZJT-KRWDZBQOSA-N 502.301 6.788 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 33358556 DBKXALWMUYNSQD-NHCUHLMSSA-N 557.916 7.150 5 40 KKBB C[C@@H]1N(C)c2cc(NC(=O)c3ccc(F)cc3)c([P@@](=O)(Nc3ccccc3[N+](=O)[O-])N3CCOCC3)cc2C1(C)C 97984797 QTENFBVHLJQTCL-VICFCZSZSA-N 581.585 5.365 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCSc2nnc(-c3ccccc3)n2Cc2ccccc2)CC1 100091091 VDHIRWIAHYSGJU-UHFFFAOYSA-N 568.625 5.835 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)SC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccccc12 100942673 HDGJWNGDLIIEEY-LJAQVGFWSA-N 592.529 8.207 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2=O)=N1 100954370 LYTOEOVZZRLRSY-FUFNRSNVSA-N 615.042 5.835 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N(C1CC1)C(c1ccccc1F)=N2 102940542 VTKLSZMLXPARBT-WBCKFURZSA-N 585.580 6.105 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1 106703270 FUTBTONSCMFDRY-UUYOSTAYSA-N 514.481 6.951 5 40 KKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 109823087 OKMRVGOYYUAETP-ZZXKWVIFSA-N 540.325 6.542 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 150651335 BFQYIAZTBKSSGM-IPAKXIGBSA-N 737.585 5.663 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223848750 KYQHKYJWLFOYJO-FQEVSTJZSA-N 526.417 5.013 5 40 KKBB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224781085 ANWQGRCRGSZTRO-XZWHSSHBSA-N 563.708 7.417 5 40 KKBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224822542 QORCNQRIJOVQCZ-MHZLTWQESA-N 519.667 5.301 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 229862669 TWEYRJRCWKGVMN-AOFBEVEVSA-N 585.572 5.180 5 40 KKBB O=[N+]([O-])c1ccc(-c2csc(=Nc3cccc(Br)c3)n2-c2cccc(Br)c2)cc1 252674795 SNVXROVFDROTMM-UHFFFAOYSA-N 531.229 6.871 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)cc1 408565330 BRDALUZSSUVUQZ-DEOSSOPVSA-N 555.454 6.036 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408567715 HEVSIUYQBMRMPN-XMMPIXPASA-N 619.925 6.698 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408569706 XCPBFVVEUNZNFH-LAMXGVLKSA-N 532.811 5.748 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccc(Cl)cc1 408570609 LNMURRPDLSYWEH-QHCPKHFHSA-N 577.863 6.820 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc(Cl)c1 408571173 NZORRNMEGPGJLR-DEOSSOPVSA-N 621.916 7.219 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 408572041 QMRVHLASJMXQRW-HSZRJFAPSA-N 546.983 6.205 5 40 KKBB CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OCC 408577047 YMTMCCGCABGIMW-HXUWFJFHSA-N 525.400 5.385 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408646253 AQDSWSHVKBCZLB-CGHKXIPFSA-N 594.451 5.160 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408649122 XOGPZQCOHRTGCS-QKCPIRFBSA-N 686.546 5.935 5 40 KKBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Oc4cccc5ccccc45)cc3)C2)cc1[N+](=O)[O-] 408667525 UGYVJHSCJUNSBA-OAQYLSRUSA-N 539.544 5.384 5 40 KKBB O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408669917 XLIWSULZDVCMSC-NTDMNLGMSA-N 599.426 6.049 5 40 KKBB O=c1/c(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408771209 GBILSXXEJNHQOD-KEPJHFNWSA-N 584.028 6.279 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408925316 PAWAYHRITJONEL-UHFFFAOYSA-N 544.851 5.228 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c2=O)=N1 409030066 CADLOMIDTCSEAY-IVQFASICSA-N 678.163 5.736 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409032855 JQQKBAWWMJAQIN-QEEORQGDSA-N 892.519 5.603 5 40 KKBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)cc1 409181434 CLXFSGXSBOHUKI-UHFFFAOYSA-N 573.355 6.307 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)cc1Cl 409263022 JYRGIQMZLLSNLJ-KSEXSDGBSA-N 618.045 5.008 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1Cl 409274346 WEIFXZISKXKIJM-AFUMVMLFSA-N 552.992 6.145 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1cccc(OC)c1 409274762 XMEPTBKWARSNIV-LHMNITIUSA-N 638.746 5.089 5 40 KKBB Oc1c(-c2ccc3c4c2CC=C2C=CC=C(C=C3)[C@@H]24)cc2ccccc2c1-c1c(O)c(-c2ccc3ccc4cccc5ccc2c3c45)cc2ccccc12 1857792218 GJCNGVZBVIULLF-DXQCBLCSSA-N 688.826 13.392 5 40 KKBB Cc1nc2ccccc2c2c(N/C=C3/C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)c4ccccc43)c3ccccc3n12 3416609 XBRJWRCAGKXLQG-NLRVBDNBSA-N 562.551 7.608 5 40 KKBB CC(C)[C@H]1CC[C@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](C[N+](=O)[O-])c1ccccc1 8739521 VAMMHMBTLSBKCE-GNTBGIDYSA-N 507.652 8.152 5 40 KKBB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 33727971 FCQDVDWONHPQEB-KRWDZBQOSA-N 507.418 5.008 5 40 KKBB CCOC(=O)c1c(NC(=O)CN2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)sc(C)c1-c1ccccc1 97981580 OPSAYLKXVUJJMJ-UHFFFAOYSA-N 543.045 5.223 5 40 KKBB O=C(OC(c1ccc(N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 97984184 VFWBGWZKCMZFSN-UHFFFAOYSA-N 787.516 6.532 5 40 KKBB Cc1ccc(N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]2C[C@@H](C)N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccc(C)cc32)cc1 100152311 CWDBVXKWBFGBHL-AUROJBMCSA-N 616.674 7.746 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 100190049 GMSAFUHJUDCNLJ-JLKMOJGBSA-N 597.693 5.409 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 100396156 JIYDYMUJLWNIJV-FKZSXXMWSA-N 575.577 5.385 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 101064621 WBXVQSYZJIZOMV-GAACBODTSA-N 620.459 6.213 5 40 KKBB CC(C)Oc1ccc(CSc2nnc3c4c5c(sc4n4c(SCc6ccc(OC(C)C)cc6)nnc4n23)CCCC5)cc1 102376359 OUCKVEHDPJAOJL-UHFFFAOYSA-N 630.865 8.025 5 40 KKBB O=C(O)c1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2=O)cc1 102712923 ZPYUWLTTYHWHBP-CCDWMCETSA-N 541.541 5.073 5 40 KKBB Cc1cc(C)c2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3C)nc2c1 105306374 KQSUYYKYWIIUCR-UHFFFAOYSA-N 545.621 5.292 5 40 KKBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(I)cc1 106751031 FZYFNLBHTVMOJC-ODLFYWEKSA-N 559.341 5.623 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc(-c2cc(Cl)ccc2Cl)o1 109411549 GQBWRXYWUWKSFC-UHFFFAOYSA-N 539.828 5.652 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccccc1 111465362 ZIGBSXLBRYPWMX-ZHGFHMGHSA-N 607.644 5.112 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 214483239 RYGKHGIVSDFINS-OEAKJJBVSA-N 659.458 5.852 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224781509 NQSXVDXVQCUBFO-HHHXNRCGSA-N 635.570 5.677 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 224793048 OLVZJVQJYOBEEB-FQLXRVMXSA-N 595.662 7.486 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225632123 IXXZYLZWTQQFRS-AREMUKBSSA-N 588.488 5.845 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 261090268 TXWJUXLZXYRSDG-MGBGTMOVSA-N 658.777 5.211 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1cccc(F)c1 408566680 FYYVGCKHCKKLGJ-VWLOTQADSA-N 526.565 5.942 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 408569418 WQNOBZFFNMFFJY-PXIGIZQUSA-N 549.627 5.872 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCC 408569895 KEGJGKAPKUGXAD-OAQYLSRUSA-N 535.464 5.863 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C/c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)C(=O)O)o2)c1 408632169 HSTCFIBZCLLARP-YDZHTSKRSA-N 551.602 6.339 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408641243 CCHBWTFRCUSMGZ-CPAHJZNRSA-N 634.428 5.168 5 40 KKBB O=c1/c(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408757706 PAUIIRWNXYRESU-USDTVRPUSA-N 566.038 6.140 5 40 KKBB CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 408769962 RDVYGLFKHUIKJY-IKHSWBDUSA-N 676.751 5.768 5 40 KKBB O=C1OC(c2ccccc2)=N/C1=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408847515 SLVKDKDBELFBPY-LDADJPATSA-N 504.907 6.027 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409021899 FANUGLDIWFMXRM-YDZHTSKRSA-N 564.982 5.066 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036850 BUBNKENQKPFFNS-LMWPEEHHSA-N 756.617 5.543 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409077753 GSDWGCSCUCIKSJ-ZCWBPALNSA-N 682.549 5.445 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1cccc(Br)c1 409174254 UKLAYWRHFVPVDE-LPYMAVHISA-N 525.380 6.173 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409178013 FXJKUCHBRCQCEX-AFUMVMLFSA-N 640.512 6.627 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n1 409180864 WMOAUEHUQDAPEB-UHFFFAOYSA-N 621.558 7.197 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409190548 ZGJZPUNMIGUDPM-PLMBTIQCSA-N 758.644 7.164 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409271151 JMAIACVVQJOOTN-UUYOSTAYSA-N 564.925 7.699 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cccc(Cl)c2Cl)cc1 409410588 YAZOPTQVHPPNIT-UHFFFAOYSA-N 508.383 5.352 5 40 KKBB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 2365785 HFAVNMHNMXHBLG-UHFFFAOYSA-N 515.905 6.704 5 40 KKBB Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc4ccccc4nc3NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 3179180 CEOLEZHRTRDPOZ-UHFFFAOYSA-N 590.643 5.192 5 40 KKBB Cc1c(-n2c(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc3sc4c(c3c2=O)CCCC4)c(=O)n(-c2ccccc2)n1C 3251704 UVABXCDHHBKCTA-UHFFFAOYSA-N 590.643 5.091 5 40 KKBB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)c1 8835439 PQWPVQMIQYOVFM-UHFFFAOYSA-N 512.547 6.407 5 40 KKBB O=C(COc1cc([N+](=O)[O-])ccc1Br)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 100299877 KDLURIYDXWBSEN-UHFFFAOYSA-N 552.768 6.990 5 40 KKBB O=c1/c(=C\c2c3ccccc3cc3ccccc23)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 100954057 VGQQPUVZNWSLKA-XNMXCUJWSA-N 565.654 6.533 5 40 KKBB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(O)=C2[C@@H]1c1cccc([N+](=O)[O-])c1 101420734 KPSKIVXMDNISPX-RCRUUEGKSA-N 509.606 7.462 5 40 KKBB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)c2cc(S(=O)(=O)Nc4ccc(C)cc4C)ccc23)c(C)c1 102415356 GAYXMMGNOXRXLT-UHFFFAOYSA-N 562.669 5.781 5 40 KKBB CCOC(=O)C1CCN(CCCNc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)CC1 102466235 CKIWPPMEEWBTAA-UHFFFAOYSA-N 581.713 6.316 5 40 KKBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 102988877 LCGMRZVGRGANFO-UHFFFAOYSA-N 541.988 5.927 5 40 KKBB Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 103091056 FNPWSPXRWLCNBW-UHFFFAOYSA-N 573.252 5.807 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1)Nc1ccc([N+](=O)[O-])cc1 103754681 WOGBXUCLWJKAEY-UHFFFAOYSA-N 543.424 5.950 5 40 KKBB COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2ON1c1cccc([N+](=O)[O-])c1 106018392 ZTBXZOFYYWFZSK-YPAWHYETSA-N 558.772 5.070 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 106685274 FHODLRMWKOJKCF-KSEXSDGBSA-N 589.851 6.835 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c2=O)=N1 150396075 CKJKORPNTSDBFL-XIHDXPBISA-N 654.572 7.177 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n31)c1ccccc1CC2 163193012 ZFWNXJKZOAJWGI-VSQRRKBNSA-N 680.580 6.577 5 40 KKBB O=c1/c(=C\c2cc(I)c(O)c([N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163230620 ZMXXTABMMIVJHK-JGTYQCAFSA-N 686.325 5.300 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(Br)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 169617597 NEGYDRVBLVYRCR-QFMXGDCESA-N 741.594 7.563 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)o2)cc1 223957581 BJCRYRFEURAFMC-SVBPBHIXSA-N 527.606 5.264 5 40 KKBB O=C(O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224783475 HROXHLDEYWSGDY-WDYNHAJCSA-N 593.690 6.807 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224886030 CQEMMOVWHIKNME-LJQANCHMSA-N 607.516 5.040 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225201914 PWHRXVCGUTYDGK-PMERELPUSA-N 654.761 5.503 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 408565036 BAYYVWQCNGJFRJ-XMMPIXPASA-N 654.370 7.351 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 408571531 OVLNSSAQIOJXHJ-DEOSSOPVSA-N 624.344 7.343 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408683331 LDEHXOZKGFYWJC-UHFFFAOYSA-N 734.952 6.638 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 408733285 WZPCREGRXILSDE-AVUDXFIYSA-N 576.561 5.287 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 408811123 QQKHFLGFPAYCTD-ZFWDJNJRSA-N 778.394 5.792 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 408827341 CSEWLFQMRKZCEY-IKHSWBDUSA-N 660.752 5.987 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409107504 WIAVLEIWIYQGRS-DWLKXISJSA-N 662.768 5.753 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409171705 FLTBMHDQSCIWSZ-YZSQISJMSA-N 533.993 6.228 5 40 KKBB O=C(CCC(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)Nc1ccc(Br)c2cccnc12 409177387 DAQQDBZRXVPCGF-UHFFFAOYSA-N 612.820 6.496 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 409179045 MQOASEUJWDBDNP-RUZDIDTESA-N 532.892 6.730 5 40 KKBB Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409180305 QRCPBVRJCPEADZ-MHZLTWQESA-N 589.387 6.792 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)cc1F 409269675 LLPUJBOHEGWTKK-YVNNLAQVSA-N 604.385 5.890 5 40 KKBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 409320478 BIBIPYKOZKBXQQ-YVMONPNESA-N 522.739 5.360 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3cccc(Cl)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409349677 RCXOQXOMZWUKSW-LCQSEVKBSA-N 604.084 5.247 5 40 KKBB O=C(CCCCC(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 1671050 LXSFLJYZYPGXDJ-UHFFFAOYSA-N 526.112 6.188 5 40 KKBB CCCCOc1ccc(C(=O)NN2C(=O)c3cc(Br)ccc3N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 2747252 LQHQKATUPNFDQU-HSZRJFAPSA-N 539.386 5.448 5 40 KKBB CCCCOc1ccc(C(=O)Nc2ccc3nc(SCc4cc([N+](=O)[O-])ccc4OC)sc3c2)cc1 3669359 BIXWNMKJGMFZFZ-UHFFFAOYSA-N 523.636 6.937 5 40 KKBB COc1cc2c(cc1OC)[C@H](Cc1ccc(O)c(-c3cc(C[C@@H]4c5cc(OC)c(OC)cc5CC[N+]4(C)C)ccc3O)c1)[N+](C)(C)CC2 4273408 LVORPGXIHUEJFS-AQOUDTPCSA-P 654.848 6.632 5 40 KKBB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 9425621 SDKSADDGBSIUPT-NDEPHWFRSA-N 517.969 5.366 5 40 KKBB Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3O)nc2c1 38173535 NQBNPXWGVUTSDV-UHFFFAOYSA-N 514.519 5.804 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1 100023725 YOEQXTYJDBVPNI-NYYWCZLTSA-N 529.721 5.722 5 40 KKBB O=[N+]([O-])c1cccc(-c2nc3cc(S(=O)(=O)c4ccc5oc(-c6cccc([N+](=O)[O-])c6)nc5c4)ccc3o2)c1 100530984 ZCETYKUGUVBXNA-UHFFFAOYSA-N 542.485 5.952 5 40 KKBB CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 101174434 FLIRHVWZMRRHHD-UKTHLTGXSA-N 549.027 5.399 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 103552458 FCQOIALZWRCTEL-UIUKDCGCSA-N 585.616 5.850 5 40 KKBB O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 103817044 SUPUIUGIRUVHHA-MIUGUJGPSA-N 608.657 5.989 5 40 KKBB C[C@@H]1C[C@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 163936216 AVMMTHFOWFBPDJ-DWXRJYCRSA-N 717.612 10.066 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 205679030 PXVQQWZQEUSGIQ-WSDLNYQXSA-N 589.851 6.835 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224462565 BCMRXIUMPUDYOJ-HKBQPEDESA-N 683.614 6.263 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 225258864 SPCTWNBBCKLNHA-UIOOFZCWSA-N 564.023 5.665 5 40 KKBB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 225676895 PRPWIDVFMKSUFJ-IZLXSDGUSA-N 573.631 5.268 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 408564767 ABDKAGRLROYENX-DEOSSOPVSA-N 654.370 7.351 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408564804 AITXFGHPTKKTAB-DEOSSOPVSA-N 529.449 6.880 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408567246 QNFPHUBHZDBAOU-CNBSGPCYSA-N 528.392 5.103 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408569519 JJYWZZTXQJHKDF-DEOSSOPVSA-N 577.465 7.109 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 408572489 RHOWRWTZBQZUFX-RUZDIDTESA-N 569.481 6.344 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 408572709 RWKYOKAEVYYBAU-DEOSSOPVSA-N 559.475 6.889 5 40 KKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1 408581943 JVDGQADIBCCRLG-UHFFFAOYSA-N 543.321 5.573 5 40 KKBB O=[N+]([O-])c1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1 408609104 NZGKGXJEAVIYQT-UHFFFAOYSA-N 571.063 7.073 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@H](C3=O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C3(Cl)Cl)cc2)cc1 408642912 OHFYUBZAAHAELB-IIJZBOQJSA-N 822.290 6.358 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408734400 XSSQSOUSWQFXTI-OCDQFKQQSA-N 765.038 6.970 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1 408838884 JSRHTSQAZKPVED-VCHYOVAHSA-N 662.699 7.552 5 40 KKBB O=[N+]([O-])c1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCCC6)cc3[N+](=O)[O-])sc2c1 408993834 XCRJXSBLTIGCKX-UHFFFAOYSA-N 551.631 6.910 5 40 KKBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409011365 HJSRYSKNHZKIFJ-NNLQFVHNSA-N 614.268 5.687 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409039921 XPZAUDHBCNIAMD-PIXWUVMMSA-N 638.098 5.416 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@H]1c1ccccc1OC 409087716 JOAYKRLVDPMSQU-DDBFQISPSA-N 628.776 5.480 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409182337 KPHVZYJQBNRJOS-UHFFFAOYSA-N 567.466 5.136 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409213168 OWQZCDDFZCSKHS-WSDLNYQXSA-N 589.851 7.229 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409219309 LDGRRCLRKSHLDF-FBHDLOMBSA-N 572.958 5.648 5 40 KKBB O=C1N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 409243995 WBSKDBFZRRBLAI-RGVLZGJSSA-N 607.642 6.450 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409269452 BUYGNQRCKYAGLI-WYMPLXKRSA-N 568.007 5.819 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 409348796 PKOUMYHVZHYQIN-HXUWFJFHSA-N 599.928 6.414 5 40 KKBB C[C@@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 8385462 FPZBTYFOFVBFQI-MGIIHASJSA-N 574.747 6.276 5 40 KKBB COc1ccc(/C=C/C(=O)Nc2cc(C)nn2-c2nc3ccccc3n2Cc2cccc([N+](=O)[O-])c2)cc1 8686306 VGSQMYDZWXCOFQ-NTCAYCPXSA-N 508.538 5.147 5 40 KKBB C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H]3C 97943189 CQIKWXUXPNUNDV-HOIIHFJFSA-N 871.220 13.964 5 40 KKBB C[C@H]1N(C)c2cc(NC(=O)c3ccc(F)cc3)c([P@@](=O)(Nc3ccccc3[N+](=O)[O-])N3CCOCC3)cc2C1(C)C 97984796 QTENFBVHLJQTCL-DVDOHLQOSA-N 581.585 5.365 5 40 KKBB COc1ccc(CCNc2cc(N3CCN(S(=O)(=O)c4ccc5oc6ccccc6c5c4)CC3)ccc2[N+](=O)[O-])cc1OC 98043323 BOJMVVKAOJDTID-UHFFFAOYSA-N 616.696 5.677 5 40 KKBB COc1cc(C(=O)NC(=S)NCCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)cc1 100365896 JKMWQTFDFQTRME-UHFFFAOYSA-N 563.463 5.596 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C(=O)N1Cc1ccccc1 100983403 FYJZSTHYPIYGTO-GSDHBNRESA-N 511.559 5.370 5 40 KKBB O=c1[nH]n(C2CCCCCCC2)c2nc3c(oc4cc(O)ccc43)c(-c3cc4cc5c(cc4nc3O)OCCO5)c12 101413285 AEQFXKISCHNEMM-UHFFFAOYSA-N 552.587 6.307 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc12 102629003 CAACBMAAFIGLBH-UHFFFAOYSA-N 564.616 6.159 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2ccc(Br)cc2)=Nc2ccccc21 103562833 IJCCODCADADWKG-NDEPHWFRSA-N 604.468 7.647 5 40 KKBB C=C(O)c1ccc(Cn2c(=C)/c(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)s/c2=N/c2ccccc2)cc1 111504720 UHDUGADWSSNARD-GNIUMMFRSA-N 520.614 5.297 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 150389778 CIJFFYXEZLAHLO-AUTFUCJRSA-N 688.940 5.400 5 40 KKBB O=C(c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 150441023 WRWDXTPZIZYFOL-LSIGONSASA-N 672.119 7.394 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1 164539323 WOVXVCMADOWPHH-DTDQMKFYSA-N 678.679 5.553 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223602876 POMKOXPBVOIZKA-FQRUVTKNSA-N 508.018 5.346 5 40 KKBB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1nccs1 224764082 MNTKJBWPDVHWEN-KAYWLYCHSA-N 584.752 7.182 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225206892 VEWSICPLYIVUEB-QFIPXVFZSA-N 657.587 5.419 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 260972955 AELZGUMDFYHKCH-UUWRZZSWSA-N 737.275 6.181 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408564918 GLAVBDWTEHOVSO-LAMXGVLKSA-N 516.356 5.233 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408568949 VIYXEUARRWREKR-USCUKXROSA-N 534.012 5.372 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c1)[C@H]1CCCN12 408569369 WAMXTKBVJLBQHR-AWTIUKJOSA-N 558.849 6.280 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408573928 UEHOCFUMKWATKC-DEOSSOPVSA-N 614.478 6.253 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(Br)cc1 408676106 AASYEZZPOQNWMZ-UHFFFAOYSA-N 823.868 6.944 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1cccc([N+](=O)[O-])c1 408679467 FGQUJFFVGVAZMT-UHFFFAOYSA-N 612.165 5.653 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cccc(Br)c3)c2=O)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408730004 DBARMWPHJHZOAS-SZYVSPPHSA-N 678.561 5.556 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccccc3OC)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 408755959 GKZZKPOWVKNNOG-IMUCPKNRSA-N 591.645 5.504 5 40 KKBB Cc1cc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C 408757225 WJSXOKYBFVLMIH-DDIUQFJASA-N 559.647 6.104 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408835996 PACVGQNJQYOUPL-FUFNRSNVSA-N 723.558 5.355 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])c(Cl)cc5Cl)o4)c(=O)n32)cc1OCC 408933011 GOXDHWGHWHYQSC-UCFNVLOPSA-N 644.489 5.291 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409050714 YWOQNFVMUHPDKA-BIQRORRISA-N 508.530 5.036 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409072357 JUZNWAWEKPEZBI-WOJGMQOQSA-N 507.362 5.391 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409274157 NBMGNLSNZYSHDH-DHRITJCHSA-N 547.589 5.474 5 40 KKBB O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnc(N2CCC(Cc3ccccc3)CC2)nc1CCC1CCCCC1 585265657 NTRSIRBFXVNFFG-UHFFFAOYSA-N 591.734 5.476 5 40 KKBB O=C(Nc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 2807411 CGJCIHCKVKRYCR-UHFFFAOYSA-N 565.424 5.671 5 40 KKBB O=c1/c(=C/c2cc(Cl)c(O)c(Cl)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 3770318 YSFQQUPQDIDKDB-DKOMQPSQSA-N 550.423 5.239 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)SC(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccccc12 8407400 KPAZXMKPMBKOAA-HKBQPEDESA-N 551.693 7.517 5 40 KKBB CC1(C)C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@](C)(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 8444508 HSHUTCIVSWXNTR-VOIUYBSRSA-N 537.400 5.555 5 40 KKBB CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4N=C5/C(=C/c6cccc([N+](=O)[O-])c6)CCC[C@H]5[C@H]4c4cccc([N+](=O)[O-])c4)cc3n2)cc1 8455493 MBSGEDBJNZKSIR-QPFVZRBNSA-N 709.685 8.792 5 40 KKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 10119757 WXFIIXUTQSIJPJ-UHFFFAOYSA-N 500.736 6.634 5 40 KKBB CCn1c2ccccc2c2cc(Nc3ncnc(Nc4ccc5c(c4)c4ccccc4n5CC)c3[N+](=O)[O-])ccc21 96022675 NKILWIAAQHIBCQ-UHFFFAOYSA-N 541.615 8.128 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)c3ccc(Cl)cc3Cl)[C@@H]2C1=O 97954248 BFCHFVQHFQCYDZ-LIONHTAISA-N 548.382 5.608 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1Br 103540272 SKBFYJCKVOADAM-QUMGSSFMSA-N 588.414 5.073 5 40 KKBB O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 105319215 AHHVCNLLCUEDJR-UHFFFAOYSA-N 533.201 6.649 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106379040 LZBRYMLLNYHEGH-UHFFFAOYSA-N 558.827 5.706 5 40 KKBB Cc1ccc(-n2c(COc3c(C)cccc3C)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 107932880 CWSRSPWKNFTNIU-UHFFFAOYSA-N 503.584 5.411 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112231591 BNPUWTXHMXMYLV-UHFFFAOYSA-N 537.985 5.020 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(O)c(OC)c1 150522979 RYMXALFBFUHYKD-JGAYHZFGSA-N 738.731 5.657 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 163504501 HOOSIYMBYVGPSD-DBHVVYFFSA-N 650.644 6.075 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 197884143 AVCWZQXVWUPYMQ-DEOSSOPVSA-N 593.735 5.804 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 197952199 CBBPVHLCSGQMDK-UHFFFAOYSA-N 650.153 6.928 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223642416 DVZCMILBCXBLQJ-FQRUVTKNSA-N 554.043 5.190 5 40 KKBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223909854 IUUNYKLMZNZKIF-HXUWFJFHSA-N 633.554 5.573 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224223133 BGPCVFGQWVRBQM-YTTGMZPUSA-N 727.667 6.580 5 40 KKBB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C(C)C 224769889 LZNQUXJAIYGTPO-IZLXSDGUSA-N 543.718 7.317 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225434475 UVHYWCFIYHLAMB-MHZLTWQESA-N 554.112 6.038 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225463058 RGIMOHDELRJXAX-HHHXNRCGSA-N 537.657 5.524 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 225469726 SHYUBKBRGBWUJN-LJAQVGFWSA-N 661.608 5.757 5 40 KKBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 229610134 UYWKKVIQGBEANC-GYPIRZFJSA-N 559.553 5.716 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 247312105 ITCOWSBAYTXBHQ-ALBQUZEBSA-N 547.592 5.512 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261012700 GZQYLQHLSNMCDY-GOXGLGGOSA-N 646.741 5.484 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 408565479 CAHIPJIRQNGBEI-MHZLTWQESA-N 597.535 7.043 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408568677 IGPWILZYWZYHEX-XMMPIXPASA-N 638.371 7.651 5 40 KKBB O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Sc2ccc(Cl)cc2)cc1 408644996 IXXRFXGZSDYAPN-UHFFFAOYSA-N 527.986 5.690 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408680749 GHXYOAOUKWZGAD-QYVZARNFSA-N 598.442 6.351 5 40 KKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 408710453 GHFVFWFJRJVIOW-UHFFFAOYSA-N 533.500 5.380 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 408728484 NGIMQIKLNYSHRB-MHDNGKQISA-N 697.143 7.454 5 40 KKBB O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(SCc3ccc(Br)cc3Br)sc2c1 408748667 BPVURZRWGKXZQW-UHFFFAOYSA-N 623.304 6.972 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408769877 QCVSGNVSARKUNP-QVPVGFNESA-N 852.352 6.590 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408773371 QRJAUZIFGCSHFG-WGJPBTIMSA-N 714.569 6.324 5 40 KKBB CCOC(=O)c1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)o2)cc1 408775889 SQFNUTAAMGLYEO-OGMUYLFESA-N 603.656 5.664 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)c1 408780597 FWJTWUQBSMTWKH-IKHSWBDUSA-N 655.736 5.794 5 40 KKBB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 408800214 NVYGDYHDGBNWAH-GHAIVPPKSA-N 528.654 7.228 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408826649 IJPQYAXPDBVLLX-RISWYLRJSA-N 674.053 5.490 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408830637 YTOCWMALVBMGFB-YNMQQHPQSA-N 678.561 5.447 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(SC)cc1 409001901 XPTDZVXTANSDBK-GWXNNEATSA-N 612.776 6.964 5 40 KKBB CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)N(CC(=O)OC)C2=S)cc1 409062084 NDDUHLQFTRDPFV-IWIPYMOSSA-N 610.486 5.646 5 40 KKBB Nc1c(Br)cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Br 409176843 ZFNYTCLNSQBTHA-FQEVSTJZSA-N 534.160 5.483 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409274904 RCKIHUCFZAXKJD-QRVIBDJDSA-N 548.577 5.473 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C 409359092 MXPWVRKGPZIOMI-OAQYLSRUSA-N 531.038 5.026 5 40 KKBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 6161495 MPRQABLAZOAQNT-UHFFFAOYSA-N 597.509 6.927 5 40 KKBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 12543008 CVSJYYHZGDOMJQ-UHFFFAOYSA-N 510.822 5.047 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c(O)c2)cc1[N+](=O)[O-] 14275048 QFIKDOBDUZGIPF-UHFFFAOYSA-N 506.540 5.251 5 40 KKBB CCOC(=O)C1=C(NC(=O)c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)S[C@H]2CCCC[C@@H]12 16682578 YXEFIVSGCPRGED-XLIONFOSSA-N 502.976 5.851 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 32111990 AAPYYGUYUWLTHE-XYOKQWHBSA-N 504.329 7.515 5 40 KKBB Cc1oc2cc(OC(=O)[C@@H](CC(C)C)NC(=O)OCc3ccccc3)ccc2c(=O)c1-c1ccc([N+](=O)[O-])cc1 97949629 UCDAEUUPWYPHHL-RUZDIDTESA-N 544.560 5.923 5 40 KKBB CC(C)(C)[C@@H]1C/C(=C/c2ccc3c(c2)OCO3)c2nc3ccccc3c(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C1 97979863 NNZSXIZTSBSIJL-GUBQRQEFSA-N 628.081 7.470 5 40 KKBB CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]3c2ccc(OCC)cc2)cc1 97983325 AKSZYOCCHXPUBR-ZNTFZVSESA-N 570.602 6.737 5 40 KKBB CCCCCn1/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101134349 DBKOBTCDKMKJOK-KGGMANCPSA-N 528.653 5.363 5 40 KKBB CCc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105305817 GNFRGEZIBSOPAC-UHFFFAOYSA-N 564.067 6.736 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)o1 150397191 IGJCPYTUZRIHIE-ISZRBDKASA-N 634.714 6.174 5 40 KKBB O=C(Nc1cccc(S[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 150484704 DVOJSDSWHBTYFR-UPWSPCOFSA-N 661.523 6.735 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccccc1 164518697 AJMOPVVMGNWFKR-VYHDHJBOSA-N 728.830 7.969 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 215016400 ZSAWGYPSNOQHJW-ZVHZXABRSA-N 535.534 5.717 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222730413 KWTVUXYSZOZBHV-VWLOTQADSA-N 700.041 6.399 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223997621 ZXNZYSQTMUHDEL-XIFFEERXSA-N 658.777 5.273 5 40 KKBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224322258 NVVTUZPVJCPQCA-HXUWFJFHSA-N 621.543 5.286 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225357784 YLGUZFYGFJUAAY-UUWRZZSWSA-N 721.276 6.625 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(F)cc1 225603995 NTJZMXQRCJVRKW-CLJLJLNGSA-N 531.569 5.390 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)N1CCCC1 408551946 PJJFPMZNJJXFOQ-YBFXNURJSA-N 719.295 5.042 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)cc1C 408571187 OBYCTPAYIQCEHG-RUZDIDTESA-N 509.031 6.535 5 40 KKBB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 408664607 SUSKJUKQJPDASN-ZOMWRJOCSA-N 626.496 6.046 5 40 KKBB COc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)cc1[N+](=O)[O-] 408668666 DQSVTTZKDOYBJZ-UHFFFAOYSA-N 528.517 5.694 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408753463 IXLGUFGDDTZMJH-PGNBASISSA-N 817.627 6.333 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)cc1 408829149 XEMAEFNNSIRYHO-SJXDCSIJSA-N 592.677 5.018 5 40 KKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1Cl 408829678 NAKUMYPJBCQUGJ-UHFFFAOYSA-N 504.782 7.598 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n32)cc1 408853061 YHUQPXAPTXGCHA-HZHHUVPKSA-N 898.517 6.969 5 40 KKBB O=C1S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C(=O)N1CCCc1ccccc1 409125934 GFKNAKLAFRMLAJ-TURZUDJPSA-N 524.598 6.996 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409179848 OIKSIFOIPCIOID-UHFFFAOYSA-N 713.112 6.219 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 409276418 QVQBBYCSQMWCSC-ZVHZXABRSA-N 517.563 5.466 5 40 KKBB Cc1cccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nc3sc4c(c3c2=O)CC(C)(C)OC4)c1 2236754 PSVQFIKTVHAIFS-UHFFFAOYSA-N 521.620 5.490 5 40 KKBB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 2775432 OFGCRTVCSIVBAZ-UHFFFAOYSA-N 515.905 6.311 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cnn6c5N[C@@H](c5ccccc5)C[C@H]6C(F)F)nc34)c12 97945899 INDMANXMLOJNSL-ZBFHGGJFSA-N 538.534 6.360 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1Cl 97965416 NJJSGDDOHKJLKD-RWTNITNYSA-N 584.437 5.273 5 40 KKBB O=C(Nc1cc2ccccc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 100809118 SGBJCVOLOLYKSW-UHFFFAOYSA-N 525.304 6.468 5 40 KKBB COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccccc3)n2-c2ccc([N+](=O)[O-])cc2)c1OC 150407850 QOIZPAIKWYNRCI-AREMUKBSSA-N 683.772 5.654 5 40 KKBB CCCCOC(=O)CCC[C@]1(c2ccccc2)[C@]23C4=CC=C5c6ccc7c8ccc9c%10ccc%11c%12ccc4c4c2c2c%13c(c6c7c6c8c9c7c%10c%11c(c4%12)c2c7c%136)[C@]513 150650578 FZYQHMHIALEGMG-RETCIKCDSA-N 722.843 13.636 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1 164509626 GYQQYDOAZUHOHG-LLXISZFLSA-N 696.579 6.185 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223431894 WHJBRILSKCHHKU-QDPGVEIFSA-N 533.694 5.691 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223813015 INWFDFGXPIGRBW-RXFWQSSRSA-N 598.494 5.300 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)o1 224319066 IDHJWRYWJNVIBY-IZZNHLLZSA-N 500.580 6.052 5 40 KKBB Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c(Br)c1 224788684 IFPLCYJUZYHQQJ-XZWHSSHBSA-N 643.588 8.649 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225181025 OZMVOYLJGPGXJA-QFIPXVFZSA-N 657.587 5.419 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225420347 MLZIXSLUXRWLDD-UMSFTDKQSA-N 733.685 6.642 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408564417 CTDOVUNHQADOIB-BQGAEBSMSA-N 633.326 6.398 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c1 408568584 IBEAGHDDMDFMPH-DEOSSOPVSA-N 505.556 5.481 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408573930 UEHOCFUMKWATKC-XMMPIXPASA-N 614.478 6.253 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408728547 OLDCLKABTOIJJU-AGSVCEGISA-N 705.981 8.744 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408735476 QLWRTLLIZDYQAZ-JYGBZPGKSA-N 720.690 6.250 5 40 KKBB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 408736840 JALCJLRSGLBYSP-HHHXNRCGSA-N 547.658 5.583 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1)c1ccc(Br)cc1 408748878 CLRMCZJMBVKIIK-UHFFFAOYSA-N 572.418 5.893 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408758101 VJZHSXYIQHDIFV-PKYOQBLNSA-N 610.489 6.249 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc34)C2=O)c1 408933411 JKEJYRMTHGLVAQ-YUMHPJSZSA-N 553.596 6.310 5 40 KKBB O=C(CSc1ccccn1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 408986854 PPJBPEAQYKARLK-UHFFFAOYSA-N 511.610 5.061 5 40 KKBB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 409074586 VQBMWSMANQMZTE-INIZCTEOSA-N 542.057 6.731 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409089962 PLAWNDPXWMEXKI-QPJBPQEWSA-N 591.089 5.234 5 40 KKBB O=C(Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 409156326 FGOBNNLBGKBQJB-UHFFFAOYSA-N 523.596 5.334 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O 409234640 OHRUVWKSMSFMEJ-VXLYETTFSA-N 507.362 5.391 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c(C)c1 409374638 VNFFZJRXERZSIA-SRZZPIQSSA-N 525.970 6.108 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 8454067 HWZRPGBWKZHHJF-PNJIRECESA-N 671.536 8.091 5 40 KKBB CC(C)c1ccc(-n2cc(OC(=O)C3CCCCC3)c3c2nc(C2CCCCC2)n2c4ccccc4nc32)cc1 9293334 LAZJCWFXQQCVNT-UHFFFAOYSA-N 534.704 8.483 5 40 KKBB O=c1/c(=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)sc2nc3ccccc3n12 33358236 WEZAWGOBRNTDEZ-BRPDVVIDSA-N 540.604 6.490 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)n1nc(NCc2cccc3ccccc23)nc1NCc1cccc2ccccc12 97995314 YTADVMRZWAKPFQ-UHFFFAOYSA-N 528.572 6.405 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@]21C(=O)Nc2ccccc21 102191043 SHEJUFCNSNOQPC-VIJPYWPYSA-N 611.698 7.040 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 102191106 NOYOEFCLXORAPK-JVNOLKNPSA-N 597.671 6.649 5 40 KKBB O=C(O)c1ccccc1-c1c2cc/c(=N/c3ccccc3)cc-2oc2cc(Nc3ccc(S(=O)(=O)O)cc3)ccc12 104179515 GWMRYULFIJVZCV-NVMPUMLXSA-N 562.603 7.126 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c2=O)=N1 104676795 KRNNGZFUIDJGTM-MFUBYVTQSA-N 614.518 5.078 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105320351 KXGKXQSNXDDZJK-UHFFFAOYSA-N 523.343 5.254 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 107656262 PMOWGVKMJABMJR-JXMROGBWSA-N 531.421 5.398 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 150584480 LENPKVFWAPTAOF-GKTKDVHMSA-N 723.558 5.273 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214702665 VHDGLKVWZWZLPU-FSJBWODESA-N 545.400 6.726 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214769421 UEZVSFXBLUDYQL-UFFVCSGVSA-N 576.370 6.847 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222665740 HRASPZUTKWOBKW-HKBQPEDESA-N 709.619 5.256 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223382842 NHPJVZXDPVIXEG-VCTRWQRLSA-N 642.778 5.653 5 40 KKBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223947911 OLKOWZBLIVQOFF-FQEVSTJZSA-N 633.554 5.573 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224200344 UZPVNVMKMJBRHF-YTTGMZPUSA-N 642.778 5.653 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224332989 SLZOIGRXHVDFIM-NDEPHWFRSA-N 613.136 5.310 5 40 KKBB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1cccnc1 224763816 RIRLOZZJBNJBCO-CONSDPRKSA-N 592.750 7.180 5 40 KKBB O=C(O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224783519 HROXHLDEYWSGDY-URLMMPGGSA-N 593.690 6.807 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)o1 224943628 KIRKITRXSUQRIP-DQEYMECFSA-N 565.449 6.506 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1NC(C)=O 225331566 HVUPFEGNUDRBEC-RRPNLBNLSA-N 559.604 5.403 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225411424 OQKCYTNCLLFGOC-NDEPHWFRSA-N 563.626 5.210 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225520567 MPGJSBSPKJKZAF-JGCGQSQUSA-N 707.647 6.109 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225606523 QQPJABHQGUMODF-WJOKGBTCSA-N 665.168 5.147 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 229609646 HZJJTVSUAGHUPD-XLCRYHPNSA-N 547.592 5.638 5 40 KKBB O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 229631088 GYBZXUJTJFNGAH-CKPORNQBSA-N 610.453 6.883 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261069246 PGMPUVSWDMBBNX-GZGVDWRWSA-N 741.694 6.969 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 408575564 WNGAPIOCTHUKOU-VWLOTQADSA-N 559.475 6.970 5 40 KKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 408710452 GCYXDGIIDBCYKB-UHFFFAOYSA-N 533.500 5.380 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)S2)cc1 408775386 SMLVLCQUZJIXAH-ARLGEPFESA-N 617.465 5.949 5 40 KKBB CCOc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408839548 UHWDRKOVMBMWRD-MHWRWJLKSA-N 538.921 6.018 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409041080 ZBMGEQJEGPBOJV-LMWPEEHHSA-N 892.519 5.603 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 409183728 UGFDVUIBGIKKTM-UHFFFAOYSA-N 545.378 8.266 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409276663 UVUSTEAMHIPMMR-XKZIYDEJSA-N 534.550 5.083 5 40 KKBB O=C(CCCCCOc1ccc([N+](=O)[O-])cc1)OCCOC(=O)CCCCCOc1ccc([N+](=O)[O-])cc1 2061000449 QWXRCEJKCGSNLN-UHFFFAOYSA-N 532.546 5.168 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc2ccccc2c1 1899427 WEYAEDVRPLAJQN-SDHOMARFSA-N 534.355 6.106 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2249395 NSQOIJWBPROUCP-UHFFFAOYSA-N 504.352 6.086 5 40 KKBB Cc1ccc(-c2cn3c(C(=S)Nc4ccc(Cl)cc4)c(-c4ccc([N+](=O)[O-])cc4)c4c3n2CCCC4)cc1 3331567 BEHCVDANIDCXJX-UHFFFAOYSA-N 541.076 8.069 5 40 KKBB CCCCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 9075838 WNUSWKUQRMNRRP-VJGNERBWSA-N 515.566 5.605 5 40 KKBB O=C(CC(c1ccccc1)c1ccccc1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 9344917 MHJJJJCFUHTPME-UHFFFAOYSA-N 505.530 6.754 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6cccc(Cl)c6)cc5)nc34)c12 13644178 LENHTRAHJSZSDX-UHFFFAOYSA-N 507.953 7.033 5 40 KKBB CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 24522505 MDFAGFSWQBOYFQ-KAYWLYCHSA-N 502.567 6.438 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 101249653 NOMWOLSPSJFZEY-HJOGWXRNSA-N 507.930 5.088 5 40 KKBB CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 102899404 PXYSLKZLVKDHQE-NHKHRBQYSA-N 579.565 5.264 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)c1ccccc1C(c1cccc3ccccc13)=NN2c1ccccc1 103757193 UQHGAKMIBKALRW-XIFFEERXSA-N 569.646 7.287 5 40 KKBB O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306309 GSLFKFCSPQFWLJ-UHFFFAOYSA-N 572.430 5.673 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106379035 PEMIBXJJYLEPQB-UHFFFAOYSA-N 524.382 5.053 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)c1 111468542 IKCUTEGYAPUZBT-UNDLXJOSSA-N 622.659 5.059 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 205782759 FXBXRBLWNNSJNC-KEBDBYFISA-N 554.499 5.793 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214773051 RXXGKFQPCCTDFL-ZVBGSRNCSA-N 648.240 8.712 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222799339 PCFJSJUNBNZSLY-JGCGQSQUSA-N 707.647 5.965 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccncc3)cc2)cc1 224764539 URXACJYSYMMQKK-IZLXSDGUSA-N 550.669 6.504 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccccc3F)cc2)cc1 224781738 IAUSDQDYRKQFEI-FQLXRVMXSA-N 567.671 7.248 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225456717 GPPYSHQDVKSTOA-NDEPHWFRSA-N 624.532 5.834 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225631186 RKHFWTUSIGMOOW-PMERELPUSA-N 699.613 5.800 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 408571083 NKTIBBMOKZJNFK-RUZDIDTESA-N 559.475 6.889 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408572721 RWRPMYSGHQOPMQ-VWLOTQADSA-N 652.398 8.041 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408680010 FUWJPYZKXGLZEF-HCXPYDJZSA-N 529.552 5.044 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O)Nc1ccc(F)cc1 408871752 ZKOBHZBCGOPNCA-UUYOSTAYSA-N 541.944 5.641 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409119783 QINLFAUGRMAKQW-UHFFFAOYSA-N 517.991 5.016 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409160018 SAFGRWQPYNLWQR-ZMOGYAJESA-N 617.558 6.488 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)ccc1Cl 409201046 UQAMDQUWWCVVGS-NVMNQCDNSA-N 582.816 5.253 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c1 409269796 DVRNSYKNFULXFB-FSJBWODESA-N 548.533 5.587 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409273420 QSUSOWBDFKJIFX-WYMPLXKRSA-N 583.962 6.267 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)c1 409273723 RSOGNVXTBCOQND-FMCGGJTJSA-N 505.552 5.763 5 40 KKBB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 409382206 ZENCORFZLCETSB-NRFANRHFSA-N 515.975 5.604 5 40 KKBB C1=C[C@H]2C=Nc3c4cccc5nc6cc7cc8cc9ccc%10ccc%11c%12cccc%13cc%14cc%15cc%16cc1nc2c3c1nc2c(c6c1c54)c7c1c8c3c9c%10c%11n4c(c%13%12)c%14c5c%15c(n%16)c2n1c5c34 2382215880 IYKQEEQIDRXFHL-DEOSSOPVSA-N 839.877 15.143 5 40 KKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](C[N+](=O)[O-])c1ccccc1 8739522 VAMMHMBTLSBKCE-CGPQZCEESA-N 507.652 8.152 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 15231473 VIFKKLWURPLSEF-SANMLTNESA-N 505.486 6.093 5 40 KKBB O=[N+]([O-])c1cccc(-c2cs/c(=N\c3ccc(-c4nnc5n4CCCCC5)cc3)n2-c2ccccc2)c1 20806337 ANJLVJHQRRYJED-ZIADKAODSA-N 508.607 6.331 5 40 KKBB C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 33354421 XKNBPADBCYBFAX-MRXNPFEDSA-N 558.523 6.866 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 96400879 WMXYERPACINAMK-PHIZCUIDSA-N 518.476 6.218 5 40 KKBB CCCCOc1ccc(C(=O)NN2C(=O)c3cc(I)ccc3N[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 97959394 QEVYVLFIEKOURK-QHCPKHFHSA-N 620.831 5.943 5 40 KKBB CCOC(=O)N1C=CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1c1nccn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 100217447 CCPUPIGBQAXHQQ-FQEVSTJZSA-N 586.405 6.175 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 100397009 FDHPFWIHSSPGIT-UHFFFAOYSA-N 573.388 7.949 5 40 KKBB Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)N2C=Cc4ccccc4[C@@H]32)c1 101127732 QJTICNCAZQDWIA-QYOOZWMWSA-N 542.979 5.019 5 40 KKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 104057008 FNXRVTBRAAEYRE-CJRSTVEYSA-N 549.370 5.056 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)c([N+](=O)[O-])c1 111467969 ITNREWGYTBQIQO-BIWBSIMWSA-N 598.662 5.112 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6Br)o5)c(=O)n42)c2ccccc2CC3)cc1 163246357 WELZJOWAHZVXCF-OBDCIHEFSA-N 640.515 6.258 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nc4sc5c(c4c(=O)n3C)CCCC5)cc2s1 164652074 YYSAXXAGYVORDJ-UHFFFAOYSA-N 639.806 6.423 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225104668 GLFWIHCESRXIPD-SSEXGKCCSA-N 606.745 5.355 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 225694053 SKNMGUWACHPHJP-KAYWLYCHSA-N 527.606 5.560 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)[C@@H]1CCCN12 408563323 AFLPHRQSCASXGN-CLPFNFTISA-N 524.404 5.627 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 408565669 CSEVJFAIMQPPLT-DEOSSOPVSA-N 540.001 6.135 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408567077 GICOJMHILWJYOY-AJZQZXEDSA-N 586.870 5.648 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)cc2)cc1 408569125 IXMKVZCTIFKCJJ-MUUNZHRXSA-N 526.618 6.427 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12 408569424 WSKZHHJKSHZXPQ-UIOOVKKBSA-N 588.458 5.712 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1C 408577274 YXTWMEGNALFBNW-RUZDIDTESA-N 622.372 7.951 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)nc2ccccc12)Nc1cccc([N+](=O)[O-])c1 408644585 GXADIEZYQIFBDW-UHFFFAOYSA-N 533.540 6.185 5 40 KKBB O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 408661029 APFNUIUHTVENKQ-UHFFFAOYSA-N 511.918 5.331 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408732878 AEROXMUAAIMSKH-DKOMQPSQSA-N 628.888 5.382 5 40 KKBB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 408800215 NVYGDYHDGBNWAH-POZLFYOWSA-N 528.654 7.228 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 408835955 ZYIRKMIZPDKWCU-QARYAGPDSA-N 703.398 6.355 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c(OC(=O)c5ccc([N+](=O)[O-])cc5)ccc5ccccc45)c(=O)n32)cc1 408860045 XNEHIBNGEFAFPJ-VSHCAQDVSA-N 710.768 6.553 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408908513 FKOVZIABOMUAMZ-IQPMGOHCSA-N 734.812 5.434 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 409047963 NUUSSPGYNGRQBR-FQKMCRJQSA-N 626.062 5.548 5 40 KKBB CCCCN1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409067150 JOQRICCYXKEMHQ-UNOMPAQXSA-N 568.389 5.623 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409143228 WFONYXQRQOWMHL-UAMLYEQYSA-N 592.677 5.018 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc45)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409359090 MLAJIWLEGBRMSA-HAWPWTPLSA-N 663.752 6.146 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@H](OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc2)sc2c1CC[C@H](C)C2 3316438 UKQPTRJSJVQUNI-NPMXOYFQSA-N 557.024 6.148 5 40 KKBB CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@@H]13 36579788 BHKWBTATPFLOTL-GNSBNEHLSA-N 520.626 5.610 5 40 KKBB COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 39755732 CSFJPGQRKSTQJG-UHFFFAOYSA-N 509.931 5.280 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F 97983617 YKGZYQXDJYKKEY-UHFFFAOYSA-N 577.415 5.549 5 40 KKBB O=[N+]([O-])c1ccc2nc(N3CCN(c4nc(Nc5ccccc5)nc(Nc5ccccc5)n4)CC3)sc2c1 97995383 AJLDFXNJYHSSFX-UHFFFAOYSA-N 525.598 5.203 5 40 KKBB COc1ccc(NC(=O)CSc2nnc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)n2C)c([N+](=O)[O-])c1 97995727 ALUGPVVBMYEMGX-UHFFFAOYSA-N 553.000 5.035 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)o3)nc2c1Br 98002702 FGDHCPYWQHMFPH-UHFFFAOYSA-N 685.182 7.625 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100363714 KEDLLZSWWKREIL-LSHDLFTRSA-N 576.370 6.847 5 40 KKBB CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccc(OC)c(OC)c1 102794824 LTBUDRMEDWGJDI-WRGVRERRSA-N 527.577 6.572 5 40 KKBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 102890793 BVDAAQKWCKLXRL-PKTNWEFCSA-N 583.528 5.013 5 40 KKBB COc1cccc(NC(=O)[C@H](Sc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 103104208 YNXMMKYKFTVHFQ-AREMUKBSSA-N 538.585 5.775 5 40 KKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 103106942 FZRVKWCSUPLSIL-UHFFFAOYSA-N 537.037 5.617 5 40 KKBB O=C(CCC(=O)c1ccc(Cl)cc1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 103110238 MTRFESYFOUPSRV-QHCPKHFHSA-N 545.773 5.897 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 103546906 CELMTJHKWOYMKC-IANDGLOUSA-N 600.587 5.749 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12 103551443 LRNYNWZTGLBQKI-MFUXGYHDSA-N 582.037 6.166 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(Cl)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1 104656894 BAMXCIKYWZRULB-UAMLYEQYSA-N 596.064 6.149 5 40 KKBB O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307828 XIZHTRNDJUTACU-UHFFFAOYSA-N 521.986 5.783 5 40 KKBB COc1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(F)cc3)n2-c2ccc([N+](=O)[O-])cc2)cc1 150427362 ZEYXXICOAPHXGE-HKBQPEDESA-N 695.733 5.732 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1c(Cl)cccc1Cl 214822866 WZSLQVGOHVUMDO-UFFVCSGVSA-N 569.344 7.949 5 40 KKBB COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 222550006 HXNSLLJNYXYNQD-LJAQVGFWSA-N 575.662 5.080 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224164525 RRIWUVOVUOFTFY-HKBQPEDESA-N 628.751 5.345 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1cccc(F)c1 408575992 XDEPZIAXLPNOGH-SANMLTNESA-N 538.601 5.811 5 40 KKBB Cc1c(NC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 408585815 JACNKSVALIJWNL-UHFFFAOYSA-N 542.828 5.693 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408683826 MHDOYAPMLQMLOC-UHFFFAOYSA-N 795.858 7.261 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]32)cc1 408731365 KADUWVWGFRKWSO-LQBCTSRJSA-N 560.562 5.587 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1Cl 408828590 NCIUZBFKPRFEAW-KEQCBNTKSA-N 621.027 5.060 5 40 KKBB CCOc1cc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408839630 UVXATALGBUTTFE-RGVLZGJSSA-N 527.316 5.864 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408938378 LQQISLIZQKGHOI-NBQDTTAVSA-N 783.641 6.076 5 40 KKBB Cc1c(Br)ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccccc2O)C3=O)c1C 408994977 KCDDKUSARHVBTP-UHFFFAOYSA-N 532.350 6.377 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409089553 JNDJBFZNJGZZJP-SELCLYCASA-N 657.586 6.275 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1 409097602 MPFPJYPAFLICTQ-BFOKUZPWSA-N 667.769 5.590 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409108700 XGUCEUQIDHWRPB-OXDPQRGISA-N 640.693 5.573 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 409189461 PGMMLNCZOMJDKM-WKIZKNSPSA-N 794.315 6.882 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 409190204 MPHZKFPHHVWRSN-FVJLIQDKSA-N 776.344 7.989 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409195142 UBKBXLJPBDJDQJ-DYCDSJFESA-N 765.657 6.459 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409327603 LIUJQCNKNKTEMB-IWIPYMOSSA-N 611.654 5.170 5 40 KKBB COc1cccc(CN(C)C(=O)CCC(=O)[C@H]2CC(C)(C)[C@@H]2CCc2cnc(-c3cccc([N+](=O)[O-])c3)[nH]2)c1 643587733 KTKGMPRYPRZYIN-IZZNHLLZSA-N 532.641 5.596 5 40 KKBB COc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)c1 8792155 RMUGZQQRNZUMRQ-MRXNPFEDSA-N 523.545 5.024 5 40 KKBB biogenic Cc1ccccc1-n1c(/C=C/c2ccccc2[N+](=O)[O-])nc2ccc(I)cc2c1=O 9137511 ONJUWBVMKVJVPR-JLHYYAGUSA-N 509.303 5.377 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 84429303 DMPUUBXDPAHJAF-VRTHLOKNSA-N 502.527 5.054 5 40 KKBB CCCCc1nc2sc3c(ncn4c(SCc5ccc(Br)cc5)nnc34)c2c2c1CCC2 97952257 QMRWARIWFILTFK-UHFFFAOYSA-N 524.513 6.773 5 40 KKBB COc1ccc(-c2csc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1Br 100321745 UXJPEALUOAMPFD-UHFFFAOYSA-N 527.809 5.270 5 40 KKBB Cc1ccc(-c2nn(-c3cc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1 100375217 IQYXGDWTKOXQKX-UHFFFAOYSA-N 616.099 5.434 5 40 KKBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105311629 CRSSOFVSCXRCKD-UHFFFAOYSA-N 569.451 7.565 5 40 KKBB COc1c(Br)cc(Br)cc1/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 107618843 MMRPBIAPOKQDMQ-VMPITWQZSA-N 608.331 5.481 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1cccc(OC)c1 111469744 FKGBYRKVIYDNQK-POKSHJSXSA-N 621.671 5.421 5 40 KKBB CCc1ccc(C(=O)N2c3c(C)cccc3[C@@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3C)C[C@@H]2C)cc1 163941842 FHOCGSYTEDADCO-JHOBJCJYSA-N 638.189 9.469 5 40 KKBB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)[nH]1 224762753 BEGNHHVQWSSHRS-JWQCQUIFSA-N 501.637 6.263 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 224793195 UERMTHDPLYOTOP-URLMMPGGSA-N 595.662 7.486 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 226517170 VQVOKINOJHJTMS-NEJFGDFOSA-N 598.995 5.638 5 40 KKBB Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 248294986 WMZUMKLGYFTYLW-XTQYNZLPSA-N 535.600 5.492 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408566028 MQWCVMJOXWZOLR-VMXNJRLGSA-N 535.600 5.482 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCC 408570657 LTDJLBXNTGVGDW-FQEVSTJZSA-N 537.436 5.254 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1Cl 408577007 YINUZBCUWKASSQ-VWLOTQADSA-N 525.030 6.235 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)C1(Br)c3ccccc3C2(Br)c2ccccc21 408622412 PFUXXAFWUHFRKG-TUUBTQOTSA-N 588.639 5.658 5 40 KKBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 408661827 CZFOQMRDYHKFHC-UHFFFAOYSA-N 511.918 5.250 5 40 KKBB CCOc1cc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408726448 RRRPDOKDKMZZSZ-UHFFFAOYSA-N 565.626 5.589 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729947 LKYVXXJLEANYSO-KFOJKGMOSA-N 651.697 5.554 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5c(OC(=O)c6ccc([N+](=O)[O-])cc6)ccc6ccccc56)c(=O)n42)c2ccccc2CC3)cc1 408755746 FDPLUMPSUQLIMO-NSFGRKQPSA-N 665.727 6.608 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1OC 408768412 ISHZUGGBGVNHBN-SELCLYCASA-N 626.090 6.158 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408830632 YTOCWMALVBMGFB-ASZNLBCTSA-N 678.561 5.447 5 40 KKBB Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1C 408842981 KYXBTRJPRFCOFU-UHFFFAOYSA-N 519.966 5.980 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409181105 WNVYPMGRBSTIRL-UHFFFAOYSA-N 666.382 6.451 5 40 KKBB CCCC[C@@H](CC)Cn1c(=O)c2ccc3c4c(-c5cccs5)cc5c(=O)n(C[C@H](CC)CCCC)c(=O)c6ccc(c7c(-c8cccs8)cc(c1=O)c2c37)c4c65 1776011027 SAHPZSAVAOLELM-VSGBNLITSA-N 779.040 11.853 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)n2c(nc3ccccc32)N1 1068712 PQTFXGQUXPTZFN-HHHXNRCGSA-N 505.534 6.441 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 1316392 IODFOBPZJQDETA-NBJHOTSESA-N 559.553 5.590 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(c1ccccc1)=NN2c1ccccc1 8427584 FBCJMHLREVBCDN-SSEXGKCCSA-N 549.612 6.108 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)c3)nc2c1 57313848 JZHGMNKIIHWRIY-UHFFFAOYSA-N 512.374 7.794 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(-c2nc3ccccc3o2)c1O 59331539 QPSDXEAPMKERQL-UHFFFAOYSA-N 517.567 5.144 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3c(ccc4ccccc34)N12 100777586 QHFYVXFTSTVDLU-SATIQFTFSA-N 549.970 5.674 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 101672330 WJQJFOJOQAGKLP-UUQNIDNHSA-N 610.453 6.758 5 40 KKBB O=c1/c(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 150506902 KIJLPEKHZWVIST-QQMBNGEASA-N 747.440 7.470 5 40 KKBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 225271786 HYMJHCXGENALNE-SSEXGKCCSA-N 559.732 6.225 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225473997 GVQYVANCTVWOQA-UUWRZZSWSA-N 690.794 5.803 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225482546 AZRNCPFXVBGZPO-NDEPHWFRSA-N 568.501 6.533 5 40 KKBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(c2ccc(C)cc2)c2ccc(C)cc2)cc1[N+](=O)[O-] 227545367 VEBJMRRYIKGUKW-XCUDZRBYSA-N 534.568 5.560 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1cccnc1)[C@@]21C(=O)Nc2ccccc21 248328232 BGAHJQLDWMQREK-CILKRHGOSA-N 556.578 5.236 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260737333 MDHYOZOJKNXCOH-HXUWFJFHSA-N 651.569 5.356 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408564957 GUOFDSZWBGIMJQ-LAMXGVLKSA-N 516.356 5.233 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1ccc(F)cc1 408572083 QOLBIIMBBVXUMQ-QHCPKHFHSA-N 561.408 6.306 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1F 408573082 SLJGQUBXSUAQGR-HHHXNRCGSA-N 536.629 6.419 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408649387 XYVIPBJUWXIBJX-UHFFFAOYSA-N 556.358 5.473 5 40 KKBB COc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408726272 KUQODLLKFJAQDB-NKVSQWTQSA-N 562.343 6.852 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc34)C2=O)c1 409097722 NJULSTSAMWTDNV-WGOQTCKBSA-N 536.544 5.167 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 409103393 WJIFRAPCHMQFJQ-ZVHZXABRSA-N 598.033 5.910 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409172628 DUERUFSTLYCBAD-FOKLQQMPSA-N 632.876 6.273 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409217740 AXINVGIJAJSIDD-ZMOGYAJESA-N 676.339 7.017 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)c1ccc(Br)cc1 409219159 JSWAEIRIGUPZID-KEBDBYFISA-N 547.770 6.190 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)c1ccc(Br)cc1 409220288 WHEGORHTTPFJEH-KEBDBYFISA-N 592.221 6.299 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CSCc2ccc(Cl)cc2Cl)n1C 409357698 CXKPXRIIJOGRFZ-UHFFFAOYSA-N 512.444 5.503 5 40 KKBB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 1315476 ODVUFQBIYPEETO-NHKHRBQYSA-N 579.565 5.182 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3cccs3)N4)cc([N+](=O)[O-])c2)cc1 1838693 NMLODEOFSUUBKS-OFNKIYASSA-N 573.553 6.956 5 40 KKBB O=C(Nc1ncc(Cc2ccc(SC(F)F)cc2)s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12524602 XDDFVKFGUYNXEH-UHFFFAOYSA-N 506.556 5.046 5 40 KKBB CC(C)(C)c1ccc(-c2c3[nH]c4ccccc4c3c(-c3ccc(C(C)(C)C)cc3)c3c2[nH]c2ccccc23)cc1 15024300 CYRQUAASMCCCKH-UHFFFAOYSA-N 520.720 10.885 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1 16611105 PZWBBSZODVWZPB-OAHLLOKOSA-N 504.568 6.052 5 40 KKBB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(ncn5c(SCC(=O)Nc6ccc(Br)cc6)nnc45)c23)CO1 97999896 XFFCLHFAIBDNHO-UHFFFAOYSA-N 640.589 5.068 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 100362549 ZXQLGRIESCGBJO-WSDLNYQXSA-N 570.377 6.081 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)cc2[N+](=O)[O-])cc1 100368840 GPNNFYLIBMOUMC-JJFYIABZSA-N 531.442 7.598 5 40 KKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 101165849 FNXRVTBRAAEYRE-KEZOAJOQSA-N 549.370 5.056 5 40 KKBB CCOc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 103139106 XCEXQAFKKNGHHQ-UZYVYHOESA-N 537.572 6.214 5 40 KKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 106721699 SYQDPLNIPRNAPL-UUYOSTAYSA-N 515.374 6.717 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112244515 MIRIDVWALVPSSP-UHFFFAOYSA-N 572.430 5.673 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 150611734 ABJOTKAYFPPSCN-SOJUGJLBSA-N 675.594 6.633 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 161925531 QPYLZGQNJYLKAY-UHFFFAOYSA-N 647.882 6.388 5 40 KKBB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223011285 LLGRFJYIWOHRTH-LJQANCHMSA-N 681.993 5.076 5 40 KKBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)cc1 224507266 UKZNWKTWYMUZCW-DHIUTWEWSA-N 520.412 5.720 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)cc1 224516948 RIVKPMNFSGWKSG-DHIUTWEWSA-N 521.396 6.189 5 40 KKBB Cc1c([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n(-c2cccc(Cl)c2)c1C 224763223 KFLGCFJHWHZESS-AJQTZOPKSA-N 626.207 8.687 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224985701 RRYLWSAXBDLBJF-RUZDIDTESA-N 538.442 5.065 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225090250 GOFHAFLBMUVVIC-FIRIVFDPSA-N 591.649 6.444 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225737636 NQJICDWATNYKNM-XIFFEERXSA-N 707.249 6.173 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260883521 CFVLAJYPTOTFOD-IDISGSTGSA-N 601.125 5.166 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408568313 SYSBFXPQFBKFLD-LKPITPCFSA-N 549.627 5.872 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccccc1 408570725 LZLPAHXABGSUST-JOCHJYFZSA-N 549.867 7.225 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408648427 WKKOQRIGDPTSLS-UHFFFAOYSA-N 910.076 7.309 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5c(OC(=O)c6ccc([N+](=O)[O-])cc6)ccc6ccccc56)c(=O)n42)c2ccccc2CC3)cc1OC 408758202 WUUIVIPCBGPZQC-XIQRNRDISA-N 695.753 6.617 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409032664 MFOMAZAYADJNIL-KAEGSSFASA-N 722.614 5.844 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409036296 QTZRJLNGFQFJSY-OCDQFKQQSA-N 799.640 5.695 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(Br)cc1 409153962 JJIMEPKCNSBGLL-SRZZPIQSSA-N 622.375 6.843 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)ccc1Cl 409157251 VBLNUFQVFFCMJY-ROTLSHHCSA-N 605.028 5.713 5 40 KKBB O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409182036 HPCQJSWMIUZGLC-UHFFFAOYSA-N 538.943 7.295 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2 409195559 WLUPNOOZLVEKQF-LSCVHKIXSA-N 616.174 5.412 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)cc1Cl 409272080 LKSDXVFKVXKTHB-CIAFOILYSA-N 510.959 5.081 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409352800 DUKOPMPYUGKHBG-UQDCTOEPSA-N 648.535 5.356 5 40 KKBB CC(C)(c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1)c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 1840194 KTIVMOITRBQLSI-UHFFFAOYSA-N 595.391 7.574 5 40 KKBB Cc1cc(C)cc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)c1 1899052 UXJMFXFSDAMQNG-SSEXGKCCSA-N 553.626 7.501 5 40 KKBB CC(C)c1ccc(C2=NN(c3ccccc3)[C@@]3(SC(C(=O)c4ccccc4)=NN3c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 97999493 KRVFBFVWRSWXIT-QNGWXLTQSA-N 623.738 8.551 5 40 KKBB c1ccc2c(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4c5ccccc5cc5ccccc45)c3)c3ccccc3cc2c1 100216098 RDVXPHSOVKZCBJ-UHFFFAOYSA-N 606.768 13.607 5 40 KKBB in-vitro CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC 101126939 JUHLQQJCOCXAQM-PFBJBMPXSA-N 531.565 5.224 5 40 KKBB CCOC(=O)c1c(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)sc(C)c1C 102861401 NDDWDIUNRULTLD-BHIFYINESA-N 555.996 5.154 5 40 KKBB COc1ccc(/C=C2\N=C(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 102988582 PWZAXWZSSKRCOU-GEWRUKCFSA-N 597.049 5.778 5 40 KKBB O=c1/c(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 104659390 ZVZRFEFZAZYDGF-AOFXREQWSA-N 571.658 5.806 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 105222541 ZFANAHITNQBTOJ-FMIVXFBMSA-N 563.035 6.184 5 40 KKBB COc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 105354811 MPOPAKJOUHLVOG-UHFFFAOYSA-N 528.565 6.091 5 40 KKBB O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 108494438 UKFSLZNMGYQELH-OBGWFSINSA-N 575.537 5.768 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 205748092 QSOCPMGQBVUFPJ-YDZHTSKRSA-N 742.329 7.018 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)c(Cl)c1 214771000 BEIWCGHJJDPGBS-UFFVCSGVSA-N 569.344 7.949 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(F)cc1 225603970 NTJZMXQRCJVRKW-IZZNHLLZSA-N 531.569 5.390 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247330176 OSHSCLJTDFLDGI-VRNNKUELSA-N 547.592 5.638 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260800154 ORVNDANHCJLTHS-XMMPIXPASA-N 671.216 5.935 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)[C@@H]1CCCN12 408567223 QJXNRKJILOFDGJ-TUPPOGIXSA-N 603.300 6.389 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 408568100 HRBQPVXPSHLKTA-RUZDIDTESA-N 583.508 6.653 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1 408571191 OCJMPCWJAIYILR-DEOSSOPVSA-N 529.449 6.880 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408650706 MTFRQAXWEWOVRI-DHIUTWEWSA-N 622.417 5.312 5 40 KKBB O=c1/c(=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408757337 MFIFYYIKOJOQDA-WOSHRIRTSA-N 700.592 5.757 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6)o5)c(=O)n42)c2ccccc2CC3)cc1OC 408757615 NTFCLCATGSBQGW-IMUCPKNRSA-N 591.645 5.504 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4c5ccccc5cc5ccccc45)c(=O)n32)cc1 408833690 SCZDBJMYPZXSHZ-LXKZMGPHSA-N 609.751 6.806 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(=O)c5cccc([N+](=O)[O-])c5)cc4)c(=O)n32)cc1 408858363 RXILTCQGHUKPRI-UTAOYMJKSA-N 660.708 5.400 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(F)cc1 408882018 OSULYZHEJOXPRO-GRSHGNNSSA-N 501.879 5.322 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409094881 GFMFYANNIQYGLH-MGXIGDRJSA-N 656.145 5.438 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccccc1 409190409 YNZRRARAMZKDKG-XTGQZIRNSA-N 749.274 6.927 5 40 KKBB CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O 409270925 BMTBKFSQEJKYRS-VIZOYTHASA-N 503.252 5.835 5 40 KKBB O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(N2C(=O)CS[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1822954 RJNLCBIEBIMOFL-PSWAGMNNSA-N 522.564 5.060 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 8384509 XBOGRTOMCIHQIO-UHFFFAOYSA-N 678.667 5.565 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 8454055 ALQYNJMXOUJUNP-PNJIRECESA-N 671.536 8.091 5 40 KKBB C[C@H](c1ccco1)N(C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1 8686802 YEQOYAOCCAHELE-MRXNPFEDSA-N 526.958 5.445 5 40 KKBB aggregator C[C@@H](Nc1cc(N2CCN(C(=O)c3ccccc3Cl)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 8927265 IDUOOVYRECYPKO-HWWKNPRSSA-N 523.077 6.227 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14275393 KAESSBNLXXMFDF-UHFFFAOYSA-N 500.584 5.255 5 40 KKBB COc1ccccc1-n1c(SCc2cc(=O)n3c(n2)sc2ccccc23)nc2cc([N+](=O)[O-])ccc21 32744895 SWKVPMYKSJGEDX-UHFFFAOYSA-N 515.576 5.457 5 40 KKBB O=C(NC(=S)NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59331565 KQLWEKOTCVMGSC-UHFFFAOYSA-N 517.636 5.276 5 40 KKBB COc1ccc2cc(-c3c4oc5cc(O)ccc5c4nc4c3c(O)nn4C3CCCCC3)c(=O)n(C)c2c1 95478777 JQQNWJLBQBSFQO-UHFFFAOYSA-N 510.550 5.775 5 40 KKBB COc1ccccc1/N=c1\oc2ccc3ccccc3c2cc1-c1nc(-c2ccc(Br)cc2)cs1 100562547 UZUOBEDCWFLFHX-PNOGMODKSA-N 539.454 8.380 5 40 KKBB COCCn1c(=N)c(-c2nc(-c3ccccc3)c(NC(=O)c3ccc(Cl)cc3)s2)cc2c(=O)n3ccccc3nc21 101349448 ZXBLYXNGDLTRIP-UHFFFAOYSA-N 583.073 5.471 5 40 KKBB CCOC(=O)c1c(NC(=O)c2ccc(C(=O)Nc3sc(C)c(C)c3C(=O)OCC)c([N+](=O)[O-])c2)sc(C)c1C 102930731 IJLTZLQRYFZZEH-UHFFFAOYSA-N 573.649 5.809 5 40 KKBB O=C(/C=C/c1ccc(Cl)cc1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 102943960 HCBIWLTWSUYYOV-IIEAAPJRSA-N 542.979 6.993 5 40 KKBB COc1cc(NC(=O)CSc2nc3scc(-c4cccs4)c3c(=O)n2C(C)C)c(C)cc1[N+](=O)[O-] 103122905 CTGLQKDEOLHPNN-UHFFFAOYSA-N 530.653 5.723 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 103557456 HNXUXIGIRRUIAS-MFUXGYHDSA-N 547.592 5.512 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)SC(c1ccccc1C)(c1ccccc1C)c1ccccc12 103768962 VESXPDCZNPVLQT-HKBQPEDESA-N 551.693 7.517 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1 111465368 OMVHOSZSDFSZQN-ZHGFHMGHSA-N 607.644 5.112 5 40 KKBB O=C1CCCCCCCC(=O)Nc2ccc3nc4ccccc4c(c3c2)SCCCCCCCCCSc2c3ccccc3nc3ccc(cc23)N1 150424879 UXKMJARRQVVROM-UHFFFAOYSA-N 729.028 12.326 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 225692723 FCHRRTDLRMNHOI-SXOMAYOGSA-N 526.622 5.090 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1 408566749 GASNKEIYFZPSKS-RHLLLVCUSA-N 542.817 5.250 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)c1 408571660 PLCYUNJEELJJIN-XMMPIXPASA-N 557.445 6.475 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1F 408572766 RZPFLHNQCJWOIU-RUZDIDTESA-N 617.497 6.574 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408641018 JDLMYZYYOKJFJH-UIOOFZCWSA-N 646.450 5.158 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408648603 WUECBZODSQXYMA-UDZKVIAYSA-N 660.466 5.414 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408770624 ZRBFFHZJGSHLOA-NULZLWRNSA-N 566.038 6.140 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408771786 ICCPXEVJAVZGTB-CTHKJOMYSA-N 793.465 7.087 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 408832398 YJISHYUGJXINMK-VNOBABJFSA-N 619.674 5.954 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1 408981758 BLEQMQHPAVPGCS-SWBDNCPRSA-N 640.721 5.847 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409013830 WDWSAVWIWZJALV-CIAFOILYSA-N 538.354 5.432 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 409078457 IEIYUFLYSKCCIP-MRWVFDTMSA-N 620.687 5.668 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409087305 YHFMYYZZFJFPDD-PBKKUYBVSA-N 702.967 5.790 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(N2CCOCC2)cc1 409142762 BUEXEFGWTZLCJU-OEAKJJBVSA-N 568.995 5.020 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 409177632 BEKOZDGJGGNKNA-UHFFFAOYSA-N 502.504 6.804 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O 409178520 KQCIHIZXJYQXFV-AREMUKBSSA-N 540.915 5.830 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)cc1Cl 409182253 JNKQDVMYVPLNDJ-KSEXSDGBSA-N 602.046 5.308 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1 409225667 QVLGZPJJDAQBKZ-SRZZPIQSSA-N 527.352 5.845 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)cc2[N+](=O)[O-])cc1 409373069 SRKBRFJSZOZPGE-JJFYIABZSA-N 558.012 6.522 5 40 KKBB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccccc5)cc([N+](=O)[O-])c4)cc3N2)cc1OC 999468 QSURYZRNYGKARA-OFVILXPXSA-N 583.523 6.513 5 40 KKBB CCCc1sc(N2CCN(c3ccc([N+](=O)[O-])c(NCCc4ccccc4)c3)CC2)nc1-c1ccccc1 20595778 NJQHPUVHOJJNGB-UHFFFAOYSA-N 527.694 6.652 5 40 KKBB Cc1ccc(S(=O)(=O)N2CC3=Cc4cc(I)cc(I)c4Oc4cc([N+](=O)[O-])cc2c43)cc1 98008268 ZIKJIYAPHPGCSO-UHFFFAOYSA-N 672.238 5.968 5 40 KKBB O=C(CSc1nnc(CNC(=O)c2ccco2)n1-c1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl 100816849 WHRGULHSKWUHBR-UHFFFAOYSA-N 580.932 5.102 5 40 KKBB COc1ccc(CCNC(=O)c2ccc3c(c2)nc(SCC(=O)NCc2ccco2)n2c4ccccc4nc32)cc1OC 102744550 WBBDHAMYWIQRRV-UHFFFAOYSA-N 595.681 5.027 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C(=O)c1ccccc1-c1ccccc1)[C@@H]1OC(=O)c2ccccc21 102920657 YXKBCIIQJQYDFH-LEAFIULHSA-N 520.497 5.180 5 40 KKBB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CC1 224765995 HASQYPPCVWUYBP-WUFINQPMSA-N 541.702 7.071 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225082567 IBCFPVKWUNZMQK-HHHXNRCGSA-N 554.474 6.143 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 225141466 LEXFMVKBDIWLAC-FTJBHMTQSA-N 562.051 6.675 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 225372194 OMYTWIIWMRHBDT-MUUNZHRXSA-N 517.601 5.365 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225601355 MYADZKWCWCMCMP-MGBGTMOVSA-N 776.139 7.624 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c1)[C@H]1CCCN12 408568874 VCTDNYRZUARHSV-AWTIUKJOSA-N 558.849 6.280 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1Cl 408572149 QRUYJNIQBBAYBK-QHCPKHFHSA-N 589.899 6.689 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1C 408575934 XBLIVILTPLAYHQ-RUZDIDTESA-N 571.472 6.783 5 40 KKBB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@H](C3=O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C3(Cl)Cl)cc2)c1 408642939 OJPUJCLVBDBYKQ-OZZHJSSWSA-N 802.234 6.509 5 40 KKBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408673359 WRNCWMWMWSBTHY-HSBQIYOSSA-N 627.653 5.567 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 408755090 BMLCPCGOHSNHJB-JLKMOJGBSA-N 561.619 5.496 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408758104 VJZHSXYIQHDIFV-USDTVRPUSA-N 610.489 6.249 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)c1 408933212 IMELUSKMHDMYCL-QRVIBDJDSA-N 629.432 5.762 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 409049500 RCQZIUARDXTZIN-JLHDDXNDSA-N 613.692 5.073 5 40 KKBB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 409102677 VWMCXQUZFROHNI-IDUWFGFVSA-N 692.169 6.895 5 40 KKBB CCOc1cc(CNc2ccc(CC)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409113139 GVTPASGNHCJZJY-UHFFFAOYSA-N 532.378 6.352 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 409150918 DZNQBBZUTUNAQO-ZMOGYAJESA-N 617.558 6.488 5 40 KKBB Cc1ccccc1OCC(=O)Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 409175918 DTCJMPHRUFDNAX-LJAQVGFWSA-N 524.529 5.702 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409353901 UJNJWLFRKBBFBA-LCQSEVKBSA-N 604.084 5.247 5 40 KKBB Cc1c(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 409358897 LZLXPGBZCAXMCC-WKIKZPBSSA-N 598.593 5.145 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409373186 SBFWKZSDQDDKGY-UHFFFAOYSA-N 618.606 7.284 5 40 KKBB CC(C)(C)c1ccc(Oc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)cc1 6075462 FTQRKOZSTYIMIP-UHFFFAOYSA-N 517.625 8.328 5 40 KKBB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 6151094 NRZPTNCDXAZUOE-UHFFFAOYSA-N 518.664 7.054 5 40 KKBB Cc1nn(-c2ccccc2)c(N(c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)c1[N+](=O)[O-] 8384850 KTDMPVWSHIKHHU-UHFFFAOYSA-N 526.489 7.493 5 40 KKBB Cc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 12581522 ZAIKRGZXFNCUQF-UHFFFAOYSA-N 508.040 5.289 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@@H](c1ccc(OC(F)F)cc1)N1C(=N2)C(O)=Nc2ccccc21 13132626 IAAAUSNGMMMLMM-JOCHJYFZSA-N 516.464 5.932 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=S)C(c2ccc(Br)cc2)=NC12CCCCCC2 101070277 DQCJCEQANNYGOG-UHFFFAOYSA-N 520.836 6.334 5 40 KKBB CCc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 102431393 RCFNDUWZWRLRES-PMERELPUSA-N 553.626 7.447 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1cc(OCC)c(OCC)c(OCC)c1 102921433 XYVIETVCMFEJON-WUZYOQQESA-N 602.688 5.268 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 103817968 RXQTVSFAUMQIKM-HRIDGTDGSA-N 576.590 5.395 5 40 KKBB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c1 104085575 UDACTTUHKLZTRL-UHFFFAOYSA-N 568.586 5.165 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3n2)cc1 104098631 FCHNMOPQOFTUPA-UHFFFAOYSA-N 547.059 6.813 5 40 KKBB COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 104330274 CXOOBXMVYLFKLE-UHFFFAOYSA-N 515.334 6.580 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 105312590 ALRYHRYOEOCYMR-SFHVURJKSA-N 543.649 6.644 5 40 KKBB Cc1c(C(=O)Nc2c(Br)cc(Br)cc2-c2nc3ccccc3s2)cccc1[N+](=O)[O-] 105319499 REPRRIQTCKTLCE-UHFFFAOYSA-N 547.228 6.957 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1cccc2ccccc12 106719315 HLSNGZPBFMFETD-YSMPRRRNSA-N 575.440 7.326 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccccc4Br)C3=O)cc2)cc1[N+](=O)[O-] 106732769 GEWLBQROGJFBPG-UUYOSTAYSA-N 589.445 5.670 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 150502488 AOYVRUQHHCREIZ-PNQAETMRSA-N 772.577 6.327 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214848990 IJBICMLFUJSZNL-LSHDLFTRSA-N 599.370 7.958 5 40 KKBB O=C(NCc1cccc(NC(=S)Nc2ccc(F)cc2)c1)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccccc1 215675294 MNEPDPJENALGHB-COEJQBHMSA-N 635.677 6.890 5 40 KKBB Cc1c(N(Cc2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224863409 PQBZXOTZNSDPQF-UHFFFAOYSA-N 529.574 6.021 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225287630 YXDCEGGQKHCEPK-SSEXGKCCSA-N 705.661 6.670 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260857237 GUWXVHGZMGSHTR-JGCGQSQUSA-N 762.112 7.232 5 40 KKBB COc1ccc(N(CC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260924530 IGTIZYQRYDRTAA-OAQYLSRUSA-N 569.680 5.425 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408659553 VXSDRDLRGOOVGX-YASBFDIKSA-N 746.559 7.253 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 408726430 BLBJIZCTYWCUEX-WXHPKRHJSA-N 632.672 6.792 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 408868378 PXSDWZSDVIQZJE-KSEXSDGBSA-N 652.003 6.538 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408929267 SZCCZMBZFNCZQP-ZMOGYAJESA-N 626.485 6.237 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 408958873 XEWFCASUHVYICK-FZEVDNDPSA-N 708.587 5.454 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1Cl 409232054 MTQSHZHMEDBNQZ-WSDLNYQXSA-N 602.850 6.265 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1 409344254 IEYQWDYDCYSYTP-WSDLNYQXSA-N 570.421 6.416 5 40 KKBB CCCn1/c(=N\C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 2720522 MCFLHMNDQOLWAC-ZXSNDDASSA-N 566.458 5.015 5 40 KKBB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)c1 3314591 UBODCAFQIZHSDC-MUUNZHRXSA-N 542.975 6.633 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccccc1 18099701 DWUDWRLVTZJRNQ-DSNGMDLFSA-N 515.909 5.559 5 40 KKBB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Sc5ccc(Br)cc5)cc([N+](=O)[O-])c4)c3N2)cc1 97985356 ZLGYBQFQIRSPMG-BJKOFHAPSA-N 632.462 7.926 5 40 KKBB Cc1ccc(C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 100025335 PNJDRUPBJMOBLW-UHFFFAOYSA-N 524.489 5.547 5 40 KKBB CCCCn1c(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)nnc1S[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 100817329 HRUUSVZNGCUXLB-SFHVURJKSA-N 628.777 5.461 5 40 KKBB Cc1c(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5c(Br)cccc45)nc3c2)cccc1[N+](=O)[O-] 100957800 HVTQHBZHSQFLAJ-UHFFFAOYSA-N 561.417 6.754 5 40 KKBB O=C(c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 102928663 PSKLIOBANDLWFU-CHRJARBBSA-N 579.660 5.899 5 40 KKBB CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103332721 RPAXCEFFCPZUKA-JVNOLKNPSA-N 597.671 6.794 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1CCOc1ccccc1 106759435 KICVGXDXRHDSAS-HAHDFKILSA-N 555.406 6.052 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 138820213 YKQVMMHYRZHZKD-QYVZARNFSA-N 608.448 5.807 5 40 KKBB O=C(Oc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 150446951 MOOJPNRGKHQMOC-UHFFFAOYSA-N 677.003 6.473 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223656283 WBZYZIQMWSVMLY-JIPXPUAJSA-N 537.657 5.522 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 224884354 UZVJGQDTODCLAQ-RPWUZVMVSA-N 522.970 5.795 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 261020184 VIVQVXMXQVNFGV-MUUNZHRXSA-N 677.607 5.375 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408568332 TWPMLYBKOOEWNA-HTZSSYRZSA-N 534.012 5.372 5 40 KKBB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccc(Cl)c(Cl)c2)c(C)c1 408585846 JHYVFWCPUDTEGR-UHFFFAOYSA-N 550.464 5.965 5 40 KKBB COc1cc(/C=C(\Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)O)c([N+](=O)[O-])cc1OCc1ccccc1 408632736 SAUICRPZHHDYIQ-KSEXSDGBSA-N 568.995 5.847 5 40 KKBB CCn1c(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633797 PNLDEZOCFUDBKD-RCCKNPSSSA-N 514.007 5.735 5 40 KKBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408634376 QJIBFOYDQZCMHW-UDWIEESQSA-N 545.429 7.056 5 40 KKBB CC(C)(C)c1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)cc2)cc1 408639162 VRNDNDCZANQANO-FQEVSTJZSA-N 516.550 5.464 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)c1 408672296 VFLCIWBMNKNUPV-UHFFFAOYSA-N 576.389 5.993 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408685371 PFZNJDDHSNSQAU-UHFFFAOYSA-N 608.048 7.369 5 40 KKBB O=C1S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1c1ccccc1 408815073 IAZPLGYOKJDADA-NDENLUEZSA-N 501.347 6.722 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 408985557 NKQPYGLAVDXUHH-OTHIGLTOSA-N 675.166 6.500 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409084620 WWHUEALLIBORHG-ZJTZAHLKSA-N 680.602 5.937 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409172176 COTMRIODKRMMFG-LFVJCYFKSA-N 568.438 6.882 5 40 KKBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)cc1 409176845 ZGGICASAULDJMT-ZXVVBBHZSA-N 513.575 5.883 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 409182147 ILAQEFIWONNSIW-SRZZPIQSSA-N 527.942 5.500 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409268223 ZUJMSFYRYBPJLJ-AUEPDCJTSA-N 621.977 7.051 5 40 KKBB COc1ccc(-c2ccc(C(c3c(-c4ccc(C)cc4)n[nH]c3O)c3c(-c4ccc(C)cc4)n[nH]c3O)o2)c([N+](=O)[O-])c1 409367810 LMZVNHLXWPHVRE-UHFFFAOYSA-N 577.597 6.852 5 40 KKBB O=P1(O)Oc2c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc3ccccc3c2-c2c(c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc3ccccc23)O1 642771776 ALIMLQCMVDKKHP-UHFFFAOYSA-N 852.926 16.812 5 40 KKBB O=C(Nc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 3109078 YEJSXVIQOGBDDS-UHFFFAOYSA-N 570.465 6.338 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 8451624 JTRFRJSSTALKDH-ADUBFANXSA-N 695.750 5.910 5 40 KKBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2Cl)c1 15979105 ULVZWBDOJXQPCE-UHFFFAOYSA-N 506.194 6.604 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccccc1 27499961 DSJKBYOLWRBFOG-FHMSYZJOSA-N 504.611 5.105 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 33353631 IZEXTWDAUUGWPM-UHFFFAOYSA-N 522.520 5.214 5 40 KKBB COc1ccc(C2=NN(C(=O)c3ccc(Nc4nc(-c5ccccc5)c5cc(Cl)ccc5n4)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 33358325 DYKUDGCKCRJJHC-UMSFTDKQSA-N 655.114 8.602 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1 59247860 CZMBYWOIBVUOMW-AYTQJLEDSA-N 577.618 5.104 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1CCc1ccccc1 100026541 XHPQAGOTVUMWKE-FMIVXFBMSA-N 523.330 5.322 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 100357664 JMHQRRBDCFWMEC-ZMOGYAJESA-N 559.427 7.116 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@H]2C(=O)N1c1ccc(Br)cc1 101076346 VQGSKWNCKIQRPO-UBFVSLLYSA-N 594.805 6.322 5 40 KKBB CCn1c2ccccc2c2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)ccc21 102937965 YISRIQBHBDHACX-UHFFFAOYSA-N 549.008 6.429 5 40 KKBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 103017445 KLWZIUHIGJBYFO-UHFFFAOYSA-N 534.546 5.113 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)o1 104659135 FEURLPHOGFFSDJ-PYCBVSLESA-N 561.619 5.496 5 40 KKBB O=c1c2ccc(C3=NN(c4ccc([N+](=O)[O-])cc4)[C@H](c4cccc([N+](=O)[O-])c4)C3)c3cccc(c32)c2nc3ccccc3n12 104663205 YICOUYZSTGXOOL-PMERELPUSA-N 580.560 6.764 5 40 KKBB COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br 105796034 SOBMLYLWTNXPKK-TWJOJJKGSA-N 574.387 5.570 5 40 KKBB O=C(Oc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(Br)cc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 150457164 OLBSXSTVRDFUMM-UHFFFAOYSA-N 676.457 6.674 5 40 KKBB O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163240378 NETCBMOUNNPDFR-ZMTYCLHQSA-N 808.346 8.093 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1 163566856 IGFFAHZZTXYRLH-UNDLXJOSSA-N 637.645 5.218 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222750951 VXRNZBFXFBFMBK-GDLZYMKVSA-N 655.560 5.483 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)o1 224111184 JFZFDCICLOGRCM-WUFINQPMSA-N 571.659 6.338 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224590852 DSPJDGOVIBXYNO-HKBQPEDESA-N 697.641 6.652 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408568086 HPJQKHAMEKDREA-SANMLTNESA-N 666.425 8.350 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 408569118 IXEQQGMQBWJONO-QHCPKHFHSA-N 547.439 7.019 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)c1 408570375 LETAZTHGZLKJFY-XMMPIXPASA-N 529.449 6.880 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)c1 408571646 PJRQYZCQSCPSSC-XMMPIXPASA-N 557.445 6.475 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc([N+](=O)[O-])cc1Cl 408575237 HZWYFHHNWBTKGV-UHFFFAOYSA-N 534.299 5.974 5 40 KKBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 408608376 WDLOYRQPXKYIMW-OQLLNIDSSA-N 501.495 5.880 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408638434 CNJSVAJIYMTFCM-UHFFFAOYSA-N 687.275 6.964 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1cccs1 408830781 STGOAIXWICXJMQ-ZPVURNRZSA-N 597.674 5.474 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC 408933534 BDRSJRGPXMETGI-OAJVPKOVSA-N 724.586 5.074 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)cc(I)c1OCc1ccc2ccccc2c1 409085280 OAPPWZQCRLZZFZ-VNOBABJFSA-N 789.648 6.831 5 40 KKBB COc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c1OCc1ccc(Cl)cc1 409088530 FZVQCSGCQYPOID-LCQSEVKBSA-N 634.110 5.336 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)c1 409105363 MZYYMHUTFSVOIY-WSDLNYQXSA-N 738.276 5.223 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409148035 OGFIVQPYPFQIKD-QFIPXVFZSA-N 602.669 5.237 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 409191384 GFJHJYQHTZXJKL-RGVLZGJSSA-N 580.243 7.484 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccccc1N1CCOCC1 409207691 XOJIZADSDODNPE-MFKUBSTISA-N 628.585 5.918 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1Cl 409270188 GJIMAAYZZQDGDB-JMIUGGIZSA-N 540.941 5.119 5 40 KKBB Cc1oc2c(C)c3oc(=O)c(CC(=O)N4C[C@@H]5C[C@@H](C4)c4ccc([N+](=O)[O-])c(=O)n4C5)c(C)c3cc2c1-c1ccccc1 604404737 JSLVYTRTXPUTBZ-UNMCSNQZSA-N 579.609 5.390 5 40 KKBB biogenic O=c1/c(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)sc2n1[C@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 1862552 QCGRFURMBFSCDV-RWTNITNYSA-N 594.874 5.348 5 40 KKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H](Cc3c[nH]c4ccccc34)NS(=O)(=O)c3ccc(C)cc3)ccc12 2094483 RQGGROYNGMIGSC-LJAQVGFWSA-N 596.661 5.548 5 40 KKBB biogenic C[C@@H](Nc1cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 6177458 TWSIHHOLEDLUNX-AOXVDABRSA-N 569.684 5.031 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)NCCSCc1c(F)cccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 59652728 AVYPTHCNNLITPJ-UHFFFAOYSA-N 616.520 5.603 5 40 KKBB COc1ccc(/C=C2/N=C(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)N(c3cccc(OC)c3)C2=O)cc1 97979165 WVQNGPZRYDXTHB-FSJBWODESA-N 552.996 5.381 5 40 KKBB Cc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3Cl)C3=C(N=4)c4ccccc4CC3)o2)cc1[N+](=O)[O-] 101502188 FJARCURRMDMBNY-SJXDCSIJSA-N 580.065 6.449 5 40 KKBB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1 101519925 QISWAXDVAJKCHG-OAHLLOKOSA-N 557.579 6.736 5 40 KKBB O=C(COC(=O)c1cc(-c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 102517178 FSBMMNBEKOKGKV-ZVERSMQUSA-N 575.577 5.385 5 40 KKBB CCCCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C=Cc5ccccc5N4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 103140170 CMICDHUVEMGCEC-HFLBTKGNSA-N 537.572 5.046 5 40 KKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)o1 104654937 BKGJPEGUDMHILU-MRWVFDTMSA-N 591.645 5.504 5 40 KKBB O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 150390398 SZHNRARFPYGVAR-FCDQGJHFSA-N 661.136 5.363 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 150395566 QZVYCGSUAJDBRA-POKSHJSXSA-N 653.738 5.834 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223720476 XOBWNDXXSNWXKQ-NLGDKJDOSA-N 646.741 5.484 5 40 KKBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 224791995 IDGLBFVGWZSRBL-GDLZYMKVSA-N 545.705 5.835 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)o1 225638239 GVCDZKWCEHVJJJ-FQLXRVMXSA-N 571.659 5.877 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408642746 FDIHMXHEEIVVFS-CPAHJZNRSA-N 634.428 5.168 5 40 KKBB Cc1cc(I)ccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408736563 CSNQUWWRPFOZFI-HHHXNRCGSA-N 619.459 6.006 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408822907 CLSKLMGJGBSYCP-ZJTZAHLKSA-N 804.457 6.051 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 408837474 GILYQTIUVLRZDZ-OINPTKSXSA-N 625.634 5.252 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408920252 DDBKVRGCZRZPET-UHFFFAOYSA-N 705.565 5.009 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408929927 PSSXWBZCLQHGBF-AFUMVMLFSA-N 640.512 6.627 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409150516 CLGKGRJDYZCGIG-WSDLNYQXSA-N 571.533 6.698 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 409189553 QIITYUMCPOUQDF-TZUCAZQYSA-N 765.701 6.840 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 409192360 BFGHXCGJXJEWKL-USPORGMFSA-N 791.355 8.050 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(F)c(F)c1F 409273152 PZVNCCDHFBBOBH-CAOOACKPSA-N 537.859 5.601 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409275373 IXBXWCNMVGLWHT-ROTLSHHCSA-N 561.019 6.235 5 40 KKBB Cc1cccc(Oc2cc(NC(=O)c3cc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)c1 710965 YSYDUEPWMMGFNA-UHFFFAOYSA-N 533.466 6.676 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)C2=O 3143022 PKRJDTVEXGIIIT-UHFFFAOYSA-N 540.513 5.707 5 40 KKBB Cc1ccc(Nc2c(C(=O)N3CC(=O)Nc4ccccc43)cc([N+](=O)[O-])c(Nc3ccc(C)cc3)c2[N+](=O)[O-])cc1 6245463 CWBPYJWPHPTOOH-UHFFFAOYSA-N 552.547 6.206 5 40 KKBB CCCCCCn1cc(OC(=O)c2ccc(F)cc2)c2c1nc(-c1ccc(F)cc1)n1c3ccccc3nc21 9307926 PMZRGOICSDBBON-UHFFFAOYSA-N 524.571 7.582 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)cc([N+](=O)[O-])c2)cc1 12849184 WRRQOPUZQUKHMZ-UHFFFAOYSA-N 504.465 5.519 5 40 KKBB O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cc(Sc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 98043128 PENRABPSNXHHCN-UHFFFAOYSA-N 580.997 7.589 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)Nc1cc([N+](=O)[O-])ccc1Cl 103099699 WDPBWHGSQRRNNL-UHFFFAOYSA-N 537.959 6.926 5 40 KKBB CCOc1ccc(Br)cc1S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc(Cl)c([N+](=O)[O-])c1 104299185 QHRQHDVMLDJDHD-UHFFFAOYSA-N 578.832 5.897 5 40 KKBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305732 HQECDLFBIITZQE-UHFFFAOYSA-N 552.081 6.642 5 40 KKBB O=C(NC(=S)NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105312097 DLSRSQBMTLZHST-UHFFFAOYSA-N 531.663 5.666 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC(C)C)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 150626359 BJKKCJONQIRUNW-YLVTVWEBSA-N 773.387 5.011 5 40 KKBB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222756278 PUOMNHLOXBHBBC-QGZVFWFLSA-N 657.960 5.231 5 40 KKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)o1 223949474 PVRBZTGMIVAMCG-SXOMAYOGSA-N 527.606 5.264 5 40 KKBB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224789978 RNYSBKYCYQMKKJ-JWQCQUIFSA-N 501.637 6.140 5 40 KKBB CCCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@@H]4[C@@H]3C2=O)cc1 248142674 CMICDHUVEMGCEC-UNFRKHOWSA-N 537.572 5.046 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260772355 GZGSNRHSUJHZSP-XMMPIXPASA-N 671.216 5.935 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261032600 JPVQFCNWWDDWFR-FOPBOCKXSA-N 721.276 6.624 5 40 KKBB CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C 299888549 NZCRJKRKKOLAOJ-AQWJDSNISA-N 785.891 6.158 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(F)cc1 408569091 ITOCQOQHJSQUMV-MHZLTWQESA-N 536.629 6.419 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)c(Cl)c1)[C@@H]1CCCN12 408569654 WVAUIZVNECPLKQ-UQBYDPJISA-N 507.949 5.113 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408576589 XTLPRAAWBIIZFP-DEOSSOPVSA-N 563.438 6.719 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1C 408577416 ZJHBRBHRTXMZNR-XMMPIXPASA-N 577.921 7.842 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1Cl 408611485 SJUHXBMHPDSCGZ-UHFFFAOYSA-N 524.742 6.053 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)O)o1 408633984 QQJHLKSJZCYDGY-SRZZPIQSSA-N 576.439 7.329 5 40 KKBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408645378 SHOHVSLDXKMRDK-AWEZNQCLSA-N 526.332 5.135 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408824859 BIGWWDCDAXNBPK-FWESEHMYSA-N 641.702 5.965 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 408852805 NQQFLVMZTTYGJR-AZJUONQGSA-N 646.725 5.760 5 40 KKBB CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)N(CC(=O)OC)C2=S)cc1 409054837 OBRQNLMBZNDHIN-OYKKKHCWSA-N 783.382 6.093 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409099200 QWHFDDNYFNCODU-FSJBWODESA-N 609.433 5.175 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 409103641 ATIWQPHAMACXAX-ZVHZXABRSA-N 689.484 5.861 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4c(ccc5ccccc45)C3=C[C@H](c3ccc4c(c3)OCO4)[C@H]2C1=O 409337373 ZVHSUPOWKRFYON-NWIVXPOESA-N 574.545 5.307 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409371137 FQTHXSOIMCRCNA-UHFFFAOYSA-N 666.532 7.925 5 40 KKBB O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 409412176 SOTJFIWSARQOMI-UHFFFAOYSA-N 526.372 5.041 5 40 KKBB Cc1ccc(C)c(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 1875860 RWNNVOMXVMOEPZ-PMERELPUSA-N 553.626 7.501 5 40 KKBB Cc1ncsc1C(=O)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 8455420 ATLXYDPAHQITJW-UBGYBRKNSA-N 503.540 5.705 5 40 KKBB O=C(NC(=S)Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8832876 KGOIPVCGPPPBFW-UHFFFAOYSA-N 500.561 6.258 5 40 KKBB CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c(NC(=O)c3cccc([N+](=O)[O-])c3C)scc12 11757971 LKTOQBLZBPWLJX-UHFFFAOYSA-N 546.483 5.112 5 40 KKBB CC(C)[C@@H]1Cc2c(sc3c2c2nnc(SCc4ccc5c(c4)OCO5)n2c2nnc(SCc4ccc5c(c4)OCO5)n32)CO1 44459991 NYPISHFWNHEWMJ-NRFANRHFSA-N 646.776 6.126 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n31)c1ccccc1CC2 104655242 KDWKRGKNCXCVQY-WXKAHTKJSA-N 601.684 5.815 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(Cl)cc1Cl)[C@]21C(=O)Nc2ccccc21 150422412 QKIIMVJPMJSBIP-CLWMVSBGSA-N 624.480 7.148 5 40 KKBB Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 150479376 XAZREBJGZKDASC-UCQKPKSFSA-N 648.329 7.123 5 40 KKBB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccco1 224766230 JAKTZBHNBFRLRF-KYJUHHDHSA-N 581.723 7.378 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 225653521 MKZREDVTFCCNRT-RRPNLBNLSA-N 526.622 5.090 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408642724 FCPFDPLBPSFSDH-QYVRTBTHSA-N 592.007 5.381 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408679850 FKRMMZZFVFKIRK-UHFFFAOYSA-N 734.952 6.638 5 40 KKBB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408784839 UFBWINPNYZYPIH-ZGOFBEGVSA-N 505.596 5.735 5 40 KKBB O=c1/c(=C/c2ccccc2OCc2ccc(Cl)cc2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408843836 SOQUBBOWTMVVDS-ISZRBDKASA-N 606.103 6.459 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c2=O)=N1 409034547 HUYMNLYNXHIBCN-UAMLYEQYSA-N 692.588 5.837 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409042429 KTJPJXDRLQIUMU-RIFKOAFWSA-N 673.744 5.090 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 409076810 BXEQFMFNDRBYDM-WQNUKSJVSA-N 794.451 6.596 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1 409102518 AUPMUTTWJSIBQU-RBXKPUFLSA-N 671.160 5.391 5 40 KKBB Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409180301 QRCPBVRJCPEADZ-HHHXNRCGSA-N 589.387 6.792 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409233715 HMHBLPGHXIIWTR-YDZHTSKRSA-N 566.408 5.736 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 1316318 PQIBSHXKQSCGPU-NBJHOTSESA-N 559.553 5.590 5 40 KKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)ccc12 2093919 DSZKYENRUIUNGK-QHCPKHFHSA-N 503.551 5.305 5 40 KKBB biogenic O=[N+]([O-])c1ccc(COc2ccc(-c3n[nH]c(C(F)(F)F)c3-c3ccc(Br)cc3)c(O)c2)cc1 2428062 ZHGQZJSLDNFTRO-UHFFFAOYSA-N 534.288 6.718 5 40 KKBB COc1cc2c(cc1OC)[C@H](COc1ccccc1OC)N(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC2 3006423 SENZXZINYNRLOS-NRFANRHFSA-N 512.946 5.093 5 40 KKBB Cc1ccc(Sc2ccc(C(=O)Nc3nnc(SCc4ccc(Cl)cc4)s3)cc2[N+](=O)[O-])cc1 3428710 VNVYKUNRAZRQQV-UHFFFAOYSA-N 529.068 7.104 5 40 KKBB C=CC1=C(C)c2cc3[nH]c(c4c5nc(cc6[nH]c(cc1n2)c(C)c6CC)C(C)=C5C(=O)C4)[C@H](CCC(=O)O)[C@@H]3C 4208840 JUDGRMABQJKRPW-LAUBAEHRSA-N 534.660 6.833 5 40 KKBB O=C(c1ccccc1)[C@@H]1C[C@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)c1c2c2ccccc2c2ccccc12 5340405 IFNGUSWXGUKLEO-WXUYMIOXSA-N 514.624 8.051 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1Cl 21305729 VWUPILVZFRUSSV-UHFFFAOYSA-N 500.747 5.608 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 96022819 VPRGRGQLRLNGBU-GWJVZLEGSA-N 540.834 7.992 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 97980165 RVJNPKVPCKOEAF-GWJVZLEGSA-N 540.834 7.992 5 40 KKBB CCN(CC)[P@](/C=C1\N(C)c2ccccc2C1(C)C)(=Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)c1ccccc1n2CC 97984706 SRXINHHOJLVBFX-JVGRDJGZSA-N 605.723 9.407 5 40 KKBB O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1cc(Br)ccc1Br 100026054 BZOAPXOEPZHDKK-FMIVXFBMSA-N 527.172 5.989 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c2=O)=N1 104676573 AOHNQBPGQGSCTD-PKYOQBLNSA-N 620.127 6.524 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105318666 QNOABNOGTUEMCA-UHFFFAOYSA-N 617.556 6.004 5 40 KKBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2Cl)CC1 105394647 AAYVFWPQEJAUEC-UHFFFAOYSA-N 542.080 5.432 5 40 KKBB O=[N+]([O-])c1cccc(-c2nn(-c3ccccc3)[n+](-c3ccc(-c4ccc(-[n+]5nc(-c6cccc([N+](=O)[O-])c6)nn5-c5ccccc5)cc4)cc3)n2)c1 150370285 VDVWEAXXTUXBRB-UHFFFAOYSA-N 686.692 6.219 5 40 KKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1c(Cl)cccc1Cl 214717218 PMAXAKFDRPOJKG-DJKKODMXSA-N 509.754 7.052 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccn(C4CCCCC4)c3)cc2)cc1 224790721 ZNZICFDJQCKYJJ-FQLXRVMXSA-N 555.729 7.625 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc2ccccc12 225712332 HONBESXZGOZXLZ-LOYHVIPDSA-N 563.639 6.404 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260938966 RJIKKCFBKGLIST-JOCHJYFZSA-N 675.179 5.766 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 408569723 XFSQESMZCHQCEK-NUWWLQTNSA-N 537.975 5.121 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 408571051 NCBZESPNCQCSDX-JOCHJYFZSA-N 584.312 7.878 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(F)cc1 408575625 WSILEVMAZJOHBP-AREMUKBSSA-N 615.525 7.182 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(F)cc1 408577009 YIWWQGUQKQPMKL-RUZDIDTESA-N 508.575 5.721 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408577157 YPOYDZHWVNBALY-VWLOTQADSA-N 577.465 7.109 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)C(=O)O)n[nH]1 408633540 ZTQXCVNXGCNVKR-JAIQZWGSSA-N 512.931 5.828 5 40 KKBB O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 408917887 CJBCSAPPDSMGPE-ZRDDSIGQSA-N 554.194 5.261 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409152600 KJUQITMFBJGIGY-FSJBWODESA-N 643.428 6.132 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409201524 NZXOIXKLCFXRMU-UFFVCSGVSA-N 527.898 6.198 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409351514 URXDCKRCXNFAIG-CVKSISIWSA-N 561.616 5.981 5 40 KKBB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)c3ccccc3n2)cc1 1864482 PWKURUDMFHDOQY-UHFFFAOYSA-N 568.969 7.304 5 40 KKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)CCCCCNS(=O)(=O)c3ccc(C)cc3)ccc12 2094746 SZCLKQSYHWGKDW-UHFFFAOYSA-N 523.607 5.016 5 40 KKBB biogenic COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3672044 APOWETVEZCFGFY-UHFFFAOYSA-N 534.796 7.339 5 40 KKBB O=C(c1ccccc1)[C@H]1C[C@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)c1c2c2ccccc2c2ccccc12 5340406 IFNGUSWXGUKLEO-SMQQDBPSSA-N 514.624 8.051 5 40 KKBB O=C(CSc1nnc(COc2cccc3cccnc23)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6474707 JAUPNLXCNOCQDY-UHFFFAOYSA-N 512.551 5.034 5 40 KKBB CC(C)c1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)cc1 12542951 ZAYZSZOPUDJQEW-UHFFFAOYSA-N 514.529 6.807 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 57314094 RGUDOUCYEZUTTC-JQIJEIRASA-N 526.568 5.968 5 40 KKBB O=c1oc2ccc(Br)cc2cc1-c1cnc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 97971250 IXVSSQSPYOQCNA-BPEUCOAUSA-N 684.528 8.296 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 103520514 UJXJYYUZGWGZMW-KHLUAOTOSA-N 571.589 5.585 5 40 KKBB COc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2s1 103765153 RJTHWYLLFZTTPY-UHFFFAOYSA-N 597.725 6.284 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 106732827 APIWODAUVIFLBI-NDENLUEZSA-N 542.367 5.790 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1cccc2ccccc12 112251412 REHXAQWCFSZLRF-AFUMVMLFSA-N 527.514 6.685 5 40 KKBB Cc1ccc(NS(=O)(=O)c2ccc(NN/C=C3/C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)c4ccccc43)c([N+](=O)[O-])c2)c(C)c1 150444621 DLIKBCWZENVQJM-KOEQRZSOSA-N 651.623 6.176 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225377117 XHVNQWMNUPJJPP-AREMUKBSSA-N 661.177 5.103 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225466858 GANVIHLHDFTULR-YTTGMZPUSA-N 646.741 5.486 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260887746 CPSDWGRWBRZYAM-GOTSBHOMSA-N 645.178 5.401 5 40 KKBB CNC(=O)[C@H](N)CS[C@H](C)C1=C(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(C)=C5CCC(=O)O)c(CCC(=O)O)c4C)c(C)c3[C@@H](C)SC[C@@H](N)C(=O)NC 407947264 DAWSJUFONOYCDF-NFFAYCCRSA-N 831.078 5.738 5 40 KKBB O=[N+]([O-])c1cccc(NCc2cc(Br)cc(Br)c2OCc2cccc(F)c2)c1 408557766 OTCYBUKGSXWNFE-UHFFFAOYSA-N 510.157 6.450 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1cccc2ccccc12 408572449 RFFNBOKXUKMZFH-GDLZYMKVSA-N 540.645 6.735 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408859030 VDHRDZXBQMHONE-HZHHUVPKSA-N 657.745 5.471 5 40 KKBB Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 408984154 LZWMJDHBVVAWES-UHFFFAOYSA-N 655.787 6.539 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CCOc1ccc(F)cc1 409052132 GOCJUWZLMHNQIG-UCQKPKSFSA-N 573.396 6.191 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 409078383 CADZEVHIZKNAGW-FATJQOLTSA-N 632.698 5.370 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)N1Cc1ccccc1 409115394 IYACMGWFXXVYCH-HHHXNRCGSA-N 518.400 7.263 5 40 KKBB O=C1S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1CCCc1ccccc1 409135941 WRUKXHMOZLKIJJ-HZHRSRAPSA-N 726.330 7.052 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409140060 HQMCLAOPWZEHGO-GKTKDVHMSA-N 682.980 6.010 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)cc2)cc1 409180114 PGYSHYSQXWSRFG-UHFFFAOYSA-N 556.483 5.863 5 40 KKBB O=C1N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccc(Cl)cc1 409237845 JYECJHOJTOCVCU-RGVLZGJSSA-N 701.642 6.134 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409259282 YNJVLMDJKANJDY-JVWAILMASA-N 662.518 7.163 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409266912 SDOWCVBBJPQWIY-VULFUBBASA-N 600.565 6.132 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSCC(=O)NCc4cccc5ccccc45)cc3s2)c([N+](=O)[O-])c1 409336329 NPYQSBYGWKKQBO-UHFFFAOYSA-N 661.787 6.085 5 40 KKBB Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc32)cc1 2266592 PSQHQGCYMSZPJW-NDEPHWFRSA-N 505.039 7.906 5 40 KKBB Cc1ccc(-c2cn3c(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c(-c4cccc(Br)c4)c4c3n2CCCC4)cc1 2649656 NMLHPRQUBZHLND-UHFFFAOYSA-N 588.889 8.275 5 40 KKBB O=[N+]([O-])c1ccccc1Sc1sc2ncnc(Oc3ccc(Br)cc3)c2c1-c1ccccc1 3218811 FCPRPTIECREUNR-UHFFFAOYSA-N 536.432 7.973 5 40 KKBB O=C(CSc1nnc(CNc2ccc(Br)cc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6474689 DAINTBAGPCDXED-UHFFFAOYSA-N 539.415 5.281 5 40 KKBB Cc1ccc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2cccc([N+](=O)[O-])c2)cc1 9235601 KTSBDWNLLWKWLD-FMIVXFBMSA-N 509.303 5.377 5 40 KKBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 20528522 SSBFQSRPNBWBJV-UHFFFAOYSA-N 528.053 5.186 5 40 KKBB O=C(c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(Cc1ccco1)Cc1cccs1 103010345 RRWXYXYBXCIJNU-UHFFFAOYSA-N 518.538 7.262 5 40 KKBB COc1c(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc2ccccc2c1Br 112242306 KVUOLHUHCKBSGK-UHFFFAOYSA-N 597.413 5.375 5 40 KKBB O=C(c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1 150476611 SUFDACWJDQXKOH-DEOSSOPVSA-N 717.876 7.327 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223817386 QDPXPPOYZRQAAU-GPNASLBKSA-N 697.641 6.652 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223911405 LPRDMUAMMHBEKX-HRFSGMKKSA-N 588.557 6.690 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223939434 KGVLEDDVDANZSF-RBTNQOKQSA-N 649.597 5.531 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224431537 HEKBVCQUUPETQM-XIFFEERXSA-N 737.673 6.036 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225244995 GTVSAORGXKQEPR-JOCHJYFZSA-N 675.602 5.203 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)cc1 229619965 OSKNEXCNOWJMKO-URURZURFSA-N 599.643 6.364 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260782330 KTLWPSKWGWBWFF-OAQYLSRUSA-N 677.607 5.890 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260794978 OIYKMWYCQXADMX-HSZRJFAPSA-N 657.189 5.545 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 261058116 NGHSDBMXKGUUJC-DCFHFQCYSA-N 635.570 5.222 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)c(Br)c1)[C@@H]1CCCN12 408568222 SMPCYRLBHZXDKQ-TUPPOGIXSA-N 552.400 5.222 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1ccccc1 408570642 LSFNGWDCQNGVTQ-HSZRJFAPSA-N 543.418 6.166 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408684150 MWJVVQRDPPMKQW-QYVZARNFSA-N 563.997 5.698 5 40 KKBB Cc1ccc(N2C(=O)c3cccc4c(-c5ccc(Br)cc5C)c([N+](=O)[O-])cc(c34)C2=O)cc1C 408757902 SBHYRRGCZKDPCZ-UHFFFAOYSA-N 515.363 6.903 5 40 KKBB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)S1 408804284 XANMWVKPMOFJKK-UHFFFAOYSA-N 515.365 5.697 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408829997 LCJGZVDZGZICRZ-FQWZWQHVSA-N 630.053 5.896 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409000058 MIRISLYGUMMDOP-PEPUGYCWSA-N 803.669 7.037 5 40 KKBB O=C(COC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1)c1ccc([N+](=O)[O-])cc1 409023748 OKZOEOAWSLYEJL-UHFFFAOYSA-N 533.496 6.425 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409050728 ZBFGJBFGLDWWRQ-OUPPTFFXSA-N 772.674 6.997 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 409099319 QDMUWNRXDKKMMH-ZVHZXABRSA-N 612.458 6.010 5 40 KKBB COc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c([N+](=O)[O-])c1 409177888 CPAMUBFCVDCQCD-MHZLTWQESA-N 581.493 5.093 5 40 KKBB COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 2738364 GIERAQSVRXYHAC-UHFFFAOYSA-N 506.273 5.332 5 40 KKBB O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16384640 QLCOEZDHFPMKMR-UHFFFAOYSA-N 504.317 6.098 5 40 KKBB O=C(OC[C@@H]1[C@H](COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1(Cl)Cl)c1ccc(Cl)c([N+](=O)[O-])c1 97976813 FGJGHSIDLZJXNM-TXEJJXNPSA-N 538.123 5.244 5 40 KKBB O=C(Nc1ccccc1Cl)C(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1Cl 101007882 KMGFDVJZGNTNDN-UHFFFAOYSA-N 522.344 6.822 5 40 KKBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)cc1[N+](=O)[O-] 102975092 HLVUKMXUETWAEB-SFHVURJKSA-N 539.610 5.186 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)c(Cl)c1 105306082 VBHUJNLDRDHBOW-UHFFFAOYSA-N 550.040 6.482 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105322845 GEZJBDLAPREUMR-UHFFFAOYSA-N 595.956 6.123 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc(Cl)c(Cl)c1 105981362 ATOOPLFBJDJQOE-MSXFZWOLSA-N 538.412 7.141 5 40 KKBB O=c1/c(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 150431125 PMXUFLSGIZBVNE-MIUGUJGPSA-N 735.479 7.392 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222703015 BIUFZZMRWJFQNJ-LJAQVGFWSA-N 655.560 5.483 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223120984 VCPRMHPEOLJIFQ-HSZRJFAPSA-N 645.178 5.403 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224209351 IWGLUHSBOADIBX-XIFFEERXSA-N 721.276 6.624 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225020563 ZDROVENONHPFFD-XIFFEERXSA-N 737.673 6.034 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 247359478 YYPROOUPLMEMIX-LUIYPFIDSA-N 559.553 5.716 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1 408570962 MMOJAKSVGMHTES-XMMPIXPASA-N 605.461 6.704 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1cccc(F)c1 408572642 RPIZQXKZYDEEOU-MHZLTWQESA-N 536.629 6.419 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccc(Cl)c(Cl)c2)cc1 408585178 CEGLFEUOTIPXKY-UHFFFAOYSA-N 522.410 5.348 5 40 KKBB Cc1c(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 408585777 IHZCFICFBFQPOV-UHFFFAOYSA-N 508.383 5.040 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731906 QRCPCKSQPNOVAS-AREMUKBSSA-N 533.606 5.455 5 40 KKBB O=C(Oc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1)c1ccc([N+](=O)[O-])cc1 408757972 SXEUSXJNMLOMBK-BPOMCQNBSA-N 714.597 7.362 5 40 KKBB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 408800213 NVYGDYHDGBNWAH-DIHMQARBSA-N 528.654 7.228 5 40 KKBB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 408800216 NVYGDYHDGBNWAH-QHTWJUJPSA-N 528.654 7.228 5 40 KKBB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408838794 IMNHQGJLUBPORC-WOJGMQOQSA-N 539.352 6.680 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c2=O)=N1 409039333 GEYNKMFMMHMPRJ-PBKKUYBVSA-N 721.413 6.825 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 409078507 ICBXBADZIJBFCQ-DUCIMOQJSA-N 662.724 5.378 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409096844 GTQXSZXPTLQMNE-OXDPQRGISA-N 657.148 6.087 5 40 KKBB CCCN1C(=O)/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c2ccccc21 409112760 CUYPSMVQGDWZPG-BKUYFWCQSA-N 570.383 6.084 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(Br)cc1 409151862 HVFFKTKQCLQMKC-UFFVCSGVSA-N 701.271 7.606 5 40 KKBB COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409182084 HZKVNIIDKVGJKQ-UHFFFAOYSA-N 586.940 5.889 5 40 KKBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409202478 STDUNYHHPXCMJA-YBFXNURJSA-N 524.473 5.786 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccccc1N1CCOCC1 409204136 BZELMSFBGLVLCM-MFKUBSTISA-N 628.585 5.918 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccccc1Cl 409232846 BUXXLIHBXHYBCI-LPYMAVHISA-N 523.954 5.502 5 40 KKBB O=C(Nc1cc(Oc2cccc(Cl)c2)cc([N+](=O)[O-])c1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 2807252 QHIPETIRKNKCTN-UHFFFAOYSA-N 560.901 6.478 5 40 KKBB COc1ccc2c(c1)c(=O)c1ccc(Cl)cc1n2CCOCCOCCn1c2ccc(OC)cc2c(=O)c2ccc(Cl)cc21 4235192 JIZHYCVYEYCNBT-UHFFFAOYSA-N 633.528 6.680 5 40 KKBB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccc(Cl)cc2)c(C)c1 14414707 UUSNDNDQHBLQPV-UHFFFAOYSA-N 516.019 5.311 5 40 KKBB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccccc2)CC1 54959648 DAGAHKAKDJJMID-UHFFFAOYSA-N 500.477 5.068 5 40 KKBB CC(=O)c1ccc(Nc2cc(Sc3ccc(Cl)cc3)c(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 97950345 ZLGXOJGZZUJWGR-UHFFFAOYSA-N 530.933 6.639 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 97971216 BKOYERJOPBZSCY-ZSHBASPPSA-N 534.663 5.991 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccccc6Cl)o5)nc34)c12 98046134 CMFVXTNJYPOHED-UHFFFAOYSA-N 515.904 6.707 5 40 KKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 101900079 LFEKVEBQJCSWKO-UHFFFAOYSA-N 525.582 5.050 5 40 KKBB CCOC(=O)[C@H]1CCCN(CCNc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1 102449550 JMDJFLPCXIDHKZ-FQEVSTJZSA-N 567.686 5.925 5 40 KKBB CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC 102748567 JUHLQQJCOCXAQM-KWXIBIRDSA-N 531.565 5.224 5 40 KKBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21 147940091 NLPXKGFDDGIGST-UHFFFAOYSA-N 546.634 5.058 5 40 KKBB O=C(O[C@@H]1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 150670866 IJTANGJQVDVKFH-ALXBRXHVSA-N 689.761 7.450 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc([N+](=O)[O-])ccc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1OC 163267058 IGTATPFGHFAOKD-QQMBNGEASA-N 626.090 6.158 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2=O)=N1 164186554 VYPBAKSCKUTBKY-TZUCAZQYSA-N 674.688 5.204 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223157694 WVDCODQFKSCMOM-RUZDIDTESA-N 645.178 5.483 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224601458 FPHHRQAIIGBBLS-SANMLTNESA-N 665.596 5.231 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 224690982 NGSNKJBWVYTDFX-IHLOFXLRSA-N 548.624 7.528 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225084178 ZYSSIBIAJOIYTC-RUZDIDTESA-N 574.461 5.454 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 229865583 WJQJFOJOQAGKLP-CILKRHGOSA-N 610.453 6.758 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F 408567576 GWRGXINBRJUEFP-HSZRJFAPSA-N 546.983 6.205 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408568066 HNADXTQXHSLVKU-AJZQZXEDSA-N 586.870 5.648 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1ccc(F)cc1 408569510 JJLTYIBFYOLCNC-HSZRJFAPSA-N 533.412 6.711 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1 408569901 KFGCOGSPBXERHY-HSZRJFAPSA-N 555.454 6.036 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1ccccc1 408577816 ZZWMBMSIMIVYTI-QHCPKHFHSA-N 515.422 6.572 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)c1 408667329 QHEYQMYSGKVJNS-UHFFFAOYSA-N 557.559 5.840 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733345 HADLSLOWEOLNKL-QQMBNGEASA-N 656.116 6.199 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408835029 XTTSAZJQVGCYQR-KEPJHFNWSA-N 771.484 6.598 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 408928245 YIXIUWBKDCIUBD-UNDLXJOSSA-N 592.677 5.018 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409048423 OMHAROOBMYIFDZ-FLGOMVIPSA-N 810.676 5.397 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409091762 UGOBRMTXXRFEHB-JJUMQRNRSA-N 538.556 5.044 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 409149635 LSSCQZCJGMQDBV-MFCBUNOESA-N 647.804 5.375 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl 409164141 CZDJOBVCFZFADB-VULFUBBASA-N 640.070 6.078 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409173282 OMKXQBZPVKQHNP-RGVLZGJSSA-N 514.321 5.587 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409243445 YRENIWPBOQGWPZ-YDZHTSKRSA-N 602.452 6.554 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4ccc5ccccc5c4C3=C[C@@H](c3ccccc3)[C@@H]2C1=O 409336658 USBKVMWMUCVHAX-OUEGXDDWSA-N 530.536 5.578 5 40 KKBB Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC(=S)Nc3c(O)ccc([N+](=O)[O-])c3Cl)cc12 2766045 OFRKTSGBSKTZBJ-UHFFFAOYSA-N 508.987 5.700 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 3321724 JPHWLLCHCCVHDG-AWEZNQCLSA-N 502.449 5.314 5 40 KKBB O=c1c2cc([N+](=O)[O-])ccc2c2ccc3c4ccc5c6ccc([N+](=O)[O-])cc6c(=O)c6ccc(c7ccc1c2c73)c4c65 3954047 KDVDMQVITMTCAH-UHFFFAOYSA-N 546.494 7.762 5 40 KKBB aggregator,in-vitro COc1cc2c(cc1OC)[C@H](Cc1ccc(OC)c(-c3cc(C[C@H]4c5cc(OC)c(OC)cc5CC[N+]4(C)C)ccc3OC)c1)[N+](C)(C)CC2 4273413 CJOOSZCNPCJIOG-ZPGRZCPFSA-N 682.902 7.238 5 40 KKBB C[C@H]1CCCN(CCCNc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1 8744450 VDQXLHDNELSSNI-FQEVSTJZSA-N 523.677 6.772 5 40 KKBB COc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 10058997 CGGNDXJKOYZCAB-IPQOISQHSA-N 510.528 5.919 5 40 KKBB O=C(Nc1cccc2c(=O)c3c(ccc4c5cc(NC(=O)c6ccccc6)c6c(=O)c7ccccc7c(=O)c6c5[nH]c43)c(=O)c12)c1ccccc1 95866659 AAKMSGQPNUGLAZ-UHFFFAOYSA-N 665.661 6.755 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Br)cc3)CCC[C@H]2[C@@H]1c1ccc(Br)cc1 97971198 ZOESZJOOIKSZAE-UITCBPOKSA-N 680.397 7.393 5 40 KKBB O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCNc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)c(Cl)c1 97995808 XMMUCJLXQIXUTD-HXUWFJFHSA-N 593.880 5.393 5 40 KKBB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1 100612766 YDZZRBCGCUEERJ-UHFFFAOYSA-N 550.515 6.794 5 40 KKBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 104086875 BRZIZDPLPZOYQW-NTCAYCPXSA-N 587.032 6.131 5 40 KKBB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105312911 MXZPYYUXUYJITJ-UHFFFAOYSA-N 529.622 6.137 5 40 KKBB COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 105990276 LOXKQPFLISBJHP-DGWZTRNLSA-N 590.386 5.276 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 107661218 YGJZZFMOGMWOHX-YXDQGSNCSA-N 598.464 5.582 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 163777471 RBAUOUUOIVFCFE-UAMLYEQYSA-N 733.609 6.481 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223269400 XNJMBJQLMWTBLH-HVIPQOSHSA-N 628.751 5.345 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223803435 VNYCOJXXTIDEKW-IBVKSMDESA-N 598.494 5.300 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1NC(C)=O 225333451 FTFVKADEGOWTPQ-UIOOFZCWSA-N 529.578 5.394 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1Cl 408565981 DMARODVSEYLIGD-FQEVSTJZSA-N 529.818 6.970 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 408577209 YSSANSUOXSAHIT-VWLOTQADSA-N 541.029 5.935 5 40 KKBB CCn1c(S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408631143 CIBOMBAKWNQKMF-MYYYXRDXSA-N 562.604 5.687 5 40 KKBB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5C6c7ccccc7C(c7ccccc76)[C@@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] 408673948 YAYRPDXMPZRTHL-FHIHVLJZSA-N 613.626 5.258 5 40 KKBB Cc1cccc(C)c1NC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408751131 WWORMBXJDRTCON-UHFFFAOYSA-N 518.576 5.353 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408779166 AZASDYCPXSFXPL-LLXISZFLSA-N 635.673 5.562 5 40 KKBB O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408782641 XYLDXXZOFIJONR-OKMHPQNISA-N 647.625 5.836 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccccc1 408833002 YRHNGBDKOMFPAC-ZHGFHMGHSA-N 591.645 5.412 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408938254 LCKONQCWMLMKEL-SZYVSPPHSA-N 865.484 6.282 5 40 KKBB COc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1 409096488 LFDVPHMHMLDHHJ-UHFFFAOYSA-N 506.893 6.675 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC 409097050 MDPURPQVEXBFRN-LRUGRNCASA-N 730.622 5.556 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccccc3[N+](=O)[O-])C2=O)cc1 409252249 CXDNFDBRLZGCDZ-QRVIBDJDSA-N 582.432 5.920 5 40 KKBB C[C@@H]1C[C@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 1784085 ZWYADODLGKHDSA-NGOKVRLYSA-N 536.544 6.330 5 40 KKBB O=C(/C=C/c1ccc(Br)o1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3258580 VFPLOPPFVCYNKB-ZBWUASRJSA-N 505.708 5.540 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cccc(COc6cccc(Cl)c6)c5)nc34)c12 13644222 UNMMJTDWGIAQAU-UHFFFAOYSA-N 507.953 7.033 5 40 KKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 59294127 RSVJAELDNYPWEZ-UHFFFAOYSA-N 520.593 6.279 5 40 KKBB COc1ccc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc(Cl)cc2[N+](=O)[O-])cc1OC 100026119 DYPKXSBWRUNVFL-ONNFQVAWSA-N 589.773 5.740 5 40 KKBB CN(c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 102817598 JPJMVQSEWZCBBT-UHFFFAOYSA-N 525.764 5.055 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccn1 106741043 SXXHZLVARVSABF-MTJSOVHGSA-N 603.394 5.419 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c2=O)=N1 163468632 AAUZVHGSRHKBSO-HVDVVURSSA-N 639.730 5.829 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2=O)=N1 164187181 YFFONFZIEFBMNJ-PLMBTIQCSA-N 674.688 5.204 5 40 KKBB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc4nc(SCc5ccc([N+](=O)[O-])cc5)sc4c3)n2-c2ccccc2)cc1 164763626 GGYWVRNWRJUBTE-UHFFFAOYSA-N 666.854 8.773 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 205800060 ZZZXKLPWPBNPJP-HYARGMPZSA-N 651.479 5.226 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Br)cc1 214958389 XYVRKHOZRDSEBC-SRZZPIQSSA-N 556.350 6.294 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260904444 BPQFTIYSDGOVRN-MGBGTMOVSA-N 776.139 7.480 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260925803 HAYCOBNIPUUPDE-RTWAWAEBSA-N 665.596 5.746 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c1)[C@H]1CCCN12 408569372 WAMXTKBVJLBQHR-YUHKXCSQSA-N 558.849 6.280 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 408571105 NOMOHUFGWYWMNG-XMMPIXPASA-N 545.448 6.580 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408571900 PUTBXPZSTHJUJD-VWLOTQADSA-N 652.398 7.960 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1 408574027 UKXUSOXHDFVBQY-HKBQPEDESA-N 584.698 7.215 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 408575661 WSZLGDIBEGNASM-QHCPKHFHSA-N 612.308 7.473 5 40 KKBB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 408729378 ZFSUIOQLAKLRPN-JUJAOGAQSA-N 568.221 5.313 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c2=O)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729931 FFWLUWOSDKBFSL-QXROAXCPSA-N 721.788 5.991 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)c1 408770142 TZXALULTHMRFAK-FVUNBJOLSA-N 711.594 6.132 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)S2)cc1 408776949 SKHNXGQAJBFIDJ-QDNAUZDWSA-N 574.884 6.752 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408828623 IENSXCYVVZVBBA-GJFKPFFXSA-N 644.027 5.481 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1C 408929094 QWMKIRSWDNZZOZ-FSJBWODESA-N 630.904 6.882 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409042477 LAHASSBSGZUJJZ-RIFKOAFWSA-N 673.744 5.090 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1 409102520 AUPMUTTWJSIBQU-STEKTNRRSA-N 671.160 5.391 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409166019 CBOYKXIXLZQKND-FOKLQQMPSA-N 677.327 6.382 5 40 KKBB O=C(c1ccccc1)c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1OC(=O)c1ccccc1[N+](=O)[O-] 3143284 DMLBDIVBLYGDTK-UHFFFAOYSA-N 512.430 5.172 5 40 KKBB Cc1ccc(C(C)C)c(Oc2cc(NC(=O)c3cc4nc(-c5ccc(Br)cc5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)c1 8397300 ZQPPMGCBHGLUHB-UHFFFAOYSA-N 654.443 8.562 5 40 KKBB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 8590653 IHEJEZFUMCXEJK-UHFFFAOYSA-N 500.555 5.924 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)Nc1cc([N+](=O)[O-])ccc1Cl 25389694 CCTBIEWDKFVPBR-UHFFFAOYSA-N 502.335 5.974 5 40 KKBB O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl)c1ccco1 33667679 AOABAWUXJUFZQM-UHFFFAOYSA-N 510.915 5.480 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59331430 XLBUDYCNNNOYRO-UHFFFAOYSA-N 517.636 5.989 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2[N+](=O)[O-])cc1 100368630 CABGCFMARBVNJW-XKZIYDEJSA-N 540.022 6.383 5 40 KKBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 101895230 ZROFMDBZHNTQJE-UITCBPOKSA-N 575.496 7.939 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 103356429 LYCCOGMSIYGCNJ-JGTYQCAFSA-N 584.437 5.273 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 103828050 HLLZDKVIFZMOJV-USDTVRPUSA-N 617.680 5.072 5 40 KKBB COCCOC(=O)c1c(C)n(CCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)c2c1cc(O)c1ccccc12 104494769 FHUFGQQQQQKLKW-UHFFFAOYSA-N 531.487 5.651 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105320527 KNMCTQJOSQCLDG-UHFFFAOYSA-N 604.788 5.750 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccccc1 106710125 PLHRGKXJTBLZJU-OYKKKHCWSA-N 512.547 5.273 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 150465009 IOGSGPMAEVSUEL-UKWGHVSLSA-N 703.243 8.076 5 40 KKBB COc1ccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 161940654 KZLORDNEHRESAG-UHFFFAOYSA-N 622.320 6.532 5 40 KKBB Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2)c1 214984428 QLRIIYDFUSKAMI-OEAKJJBVSA-N 503.536 5.157 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223803449 BMOHPWSHNKHVCV-HHHXNRCGSA-N 601.125 5.167 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(Cl)cc3Cl)cc2)cc1 224766875 YDKPICZPMPSSNZ-VMPREFPWSA-N 618.571 8.416 5 40 KKBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224768925 GIXGKFVBWXDRAQ-MHZLTWQESA-N 519.667 5.301 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225177565 UHTBRERKDJFFMK-GOSISDBHSA-N 548.503 5.457 5 40 KKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408543247 OJRPJEGWGNYBAO-UTCJRWHESA-N 514.159 6.719 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 408572344 QYAPZDPIXHZPOH-RUZDIDTESA-N 573.046 6.465 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 408575063 VWKJTYNQENDJHR-BABFKJTQSA-N 542.419 5.539 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408575079 VYKNFLVMEKZGKG-XMMPIXPASA-N 579.893 7.234 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408642634 NMPCXNCAOZAGCW-DPQOWFAMSA-N 604.015 5.129 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408884494 UPUZWYASCPBDPT-FMCGGJTJSA-N 636.004 6.920 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 408916358 WPPZRHIAZSCDPE-FWESEHMYSA-N 658.157 6.138 5 40 KKBB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2I)c1 408917005 KPLADAXIEXZEBP-YDZHTSKRSA-N 586.407 6.323 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409032053 IADHPFFKVXSKKE-RGFRMHDHSA-N 725.561 5.289 5 40 KKBB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409047669 PNXXPLGYIWUWAG-RQZCQDPDSA-N 600.241 5.298 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CCOc1ccc(F)cc1 409053831 QSCDPWBXIFFDHY-XKZIYDEJSA-N 652.292 6.953 5 40 KKBB O=C1N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 409068501 AVNJMPHBZGTBMD-VCHYOVAHSA-N 503.820 6.157 5 40 KKBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409183924 VGKQGTRCDAYDRP-UHFFFAOYSA-N 624.911 6.900 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409198902 MKIVVTINKCFVLY-BUVRLJJBSA-N 558.534 7.084 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc12 409269286 ARBHQMATEAQZNQ-AFUMVMLFSA-N 570.539 6.124 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)o2)cc([N+](=O)[O-])c1C 409270545 HENCGZDQPXLCDR-UFFVCSGVSA-N 513.478 5.425 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409271652 KXXWGDMIBPDJGU-AFUMVMLFSA-N 547.589 5.474 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(F)c(F)c1F 409274290 ONRQGKCEABQOCJ-CAOOACKPSA-N 537.859 5.601 5 40 KKBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 409329085 CMFCTWVIURWPHX-XQRVVYSFSA-N 557.184 6.013 5 40 KKBB O=C(Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 845222 MYUOHKFMWRARDU-UHFFFAOYSA-N 599.323 6.525 5 40 KKBB COc1ccc2c(c1)[C@H](Cc1ccc(Oc3ccc(C[C@H]4c5cc(OC)ccc5CC[N+]4(C)C)cc3)cc1)[N+](C)(C)CC2 1766812 KXQIJKZGDDACRA-UWXQCODUSA-N 578.797 7.329 5 40 KKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OCc3ccccc3)ccc12 2094680 MUNRFSXPEHXXPM-LJAQVGFWSA-N 576.605 6.188 5 40 KKBB biogenic Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2252662 FOCWKCBBYHQTNI-UHFFFAOYSA-N 500.389 6.006 5 40 KKBB COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 3006586 IIZUOJSVEONZCO-HSZRJFAPSA-N 512.946 5.093 5 40 KKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccc([N+](=O)[O-])cc4Cl)o2)N3)C1 8920800 ARQISLFCDLMEBJ-MCMMXHMISA-N 500.020 7.540 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 10034964 YEHCOHIGABSMMP-DQSGYLJSSA-N 507.546 7.828 5 40 KKBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)C3CCC(CNC(=O)OCc4ccccc4)CC3)ccc12 12864176 XYCNLYQRSMYPOC-UHFFFAOYSA-N 515.562 5.593 5 40 KKBB biogenic Cc1cc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)ccc1[N+](=O)[O-] 32114951 KEPIHSSQKSMKMH-UHFFFAOYSA-N 502.886 5.770 5 40 KKBB CC(C)Oc1ccc(CSc2nnc3c4sc5nc(-c6ccccc6)c6c(c5c4ncn23)CCC6)cc1 39327476 YUGGTHXOUJTHLY-UHFFFAOYSA-N 523.687 7.122 5 40 KKBB O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)/C(=C/c2ccc(Cl)cc2)CCC1 96022479 ONWYJRIGTWYJEU-SWHJVKCGSA-N 574.489 6.698 5 40 KKBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 97971192 POAIZWYNQTWSIP-ZAEANXJYSA-N 551.386 7.247 5 40 KKBB O=[N+]([O-])c1ccc(Cn2nc(-c3cccc(OC(F)F)c3)c(Cl)c2-c2cccc(OC(F)F)c2)cc1 98046075 NJTAJBRJICGSOO-UHFFFAOYSA-N 521.854 7.030 5 40 KKBB C[C@@H](Nc1cc(N2CCN(C(=O)c3cc(F)c(F)cc3Cl)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100221448 XOSIEZHSPZAVAY-KVXAFKILSA-N 559.057 6.506 5 40 KKBB COc1cccc([N+](=O)[O-])c1NC(=S)N[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl 102579521 XAOYSWABDKBLSS-QFIPXVFZSA-N 567.882 5.534 5 40 KKBB O=C(OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 103060687 WXDIRWQFXYJAIR-PMERELPUSA-N 548.599 5.883 5 40 KKBB O=c1/c(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 103790827 VMTMGPKKAFNDOW-KEPJHFNWSA-N 611.035 6.049 5 40 KKBB COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc([N+](=O)[O-])cc4)n3-c3ccccc3)[C@H](c3ccc(OC)cc3)C2)cc1 150387829 XPJSYFQNPMYMDC-HKBQPEDESA-N 677.743 5.593 5 40 KKBB O=c1/c(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 150445446 KSQULDNYTGSKQM-OCDQFKQQSA-N 868.447 6.923 5 40 KKBB CC1(C)[C@]23C(Cl)=C(Cl)[C@@]1(Cl)C(Cl)(Cl)[C@]2(Cl)c1ccc([N+](=O)[O-])cc1[C@@]1(Cl)C(Cl)(Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]13C2(C)C 150480164 HEOLJZCXUWKCNQ-GFJXEVPCSA-N 774.825 11.238 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccc(Br)cc1 214945822 UIVLBPVNPGOJDE-UFFVCSGVSA-N 658.246 8.167 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223680217 MKFMMSNCEHUZFF-MHZLTWQESA-N 659.205 5.793 5 40 KKBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)cc1 225377887 JHVUAKBBBLRSKA-WUFINQPMSA-N 525.634 6.279 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261098232 VLYDBJKKOGLRJS-VXKWHMMOSA-N 675.602 5.202 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C(=O)O)o2)c1 408635141 ZGNPUYRBFDSAOU-MTJSOVHGSA-N 509.496 5.448 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c2=O)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732100 RZXYIBIIWGDABT-NJJIUVASSA-N 735.815 6.381 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408732984 CEHITUCRYWHKLN-QUNTYYFUSA-N 675.075 6.097 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408827658 LSQMPYFOIOVAGF-CRCYZHLCSA-N 638.529 5.901 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c2=O)=N1 409032179 LEVICGMGSRKKIM-QTTRZTASSA-N 608.072 5.409 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 409091005 SDWJFFLDGBEZLQ-VVGPUZASSA-N 709.806 5.586 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1cccc(Cl)c1 409166654 DOYRXZZFJCYANK-VXLYETTFSA-N 518.334 5.837 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccccc1 409227546 PVSSPVXVPYUCKU-FYJGNVAPSA-N 508.328 5.029 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 409260532 RQFQJJPWQHWYCC-FOKLQQMPSA-N 650.429 7.460 5 40 KKBB Cc1cccc(Oc2cc(NC(=O)c3cc4nc5c(c(C(F)(F)F)n4n3)CCc3ccccc3-5)cc([N+](=O)[O-])c2)c1 2756310 CZGIELYKUADGTL-UHFFFAOYSA-N 559.504 6.775 5 40 KKBB CCc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc(Cl)c(C(F)(F)F)c1 6150806 NFUBYBIEDOOYOG-UHFFFAOYSA-N 513.951 6.564 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 13302056 WTCSQFIIUQPWLP-ZMZJTNPCSA-N 507.924 6.963 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 33358244 MRRFUPGJFYRRNF-FQWZWQHVSA-N 626.094 5.213 5 40 KKBB COc1c2c(cc3c1[C@@H](CC(=O)[C@@H]1CC[C@H]4[C@@H]5CC=C6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@@]41C)[N+](C)(C)CC3)OCO2 70672471 ZZXJOMSIUOUAHV-KKEWRFIOSA-N 550.760 5.997 5 40 KKBB biogenic COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 101670839 FCQOIALZWRCTEL-ZXFZPVEDSA-N 585.616 5.850 5 40 KKBB COc1ccc(CCn2c(-c3cc(OC)c(OC)c(OC)c3)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1 102581371 NDUKOBZTHMYRQD-UHFFFAOYSA-N 593.430 5.210 5 40 KKBB C[C@@H]1CCc2c(sc3nc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4Cl)n(-c4ccc(Cl)cc4)c(=O)c23)C1 103055684 WDWCWEFVFUWWOB-CYBMUJFWSA-N 575.499 6.518 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnnn3Cc3ccccc3)cc2s1 103881229 SLFRYPBYRGGSHP-UHFFFAOYSA-N 579.689 5.271 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 104143829 DUONHBGHQMEVTO-CJRSTVEYSA-N 534.355 5.300 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105317639 IODQLSTVWGCALH-UHFFFAOYSA-N 596.090 5.659 5 40 KKBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)CC2)cc1 105354389 QJEHTBCHIOCILK-UHFFFAOYSA-N 557.651 5.054 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccccc1 106680998 UEWNYNAQSMOSJV-MTJSOVHGSA-N 604.276 6.935 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 150485833 SXSKLTHTGJMUDW-UHFFFAOYSA-N 630.192 7.282 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)ccc1Cl 150491720 OGSKAFLVUXPSOC-YSMPRRRNSA-N 640.139 7.340 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 163995018 VZLQBXLTKZAAPD-JXWCMEKSSA-N 644.727 7.709 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)c(Cl)c1 214875735 ZZNLZQTYLNWNRG-UFFVCSGVSA-N 546.344 6.839 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224207142 COXFQCARCDYEPH-WJOKGBTCSA-N 649.169 5.610 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408566022 MQWCVMJOXWZOLR-DROOAGTRSA-N 535.600 5.482 5 40 KKBB O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 408784584 VIWKFMABJAGBJV-QPJBPQEWSA-N 537.622 5.548 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408828866 WGDPSOIEBWAUSL-UQDCTOEPSA-N 695.535 5.199 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)/C=C/c1ccccc1 408841062 FJLQSYMCLLHUMH-ZZUHSINASA-N 574.998 6.825 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccccc1OC(=O)c1ccc(Br)cc1 408846771 RHHQXSGRHSHHQU-WOJGMQOQSA-N 583.803 6.789 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409014874 QDGNBPZWDPZJMQ-UFFVCSGVSA-N 556.344 5.177 5 40 KKBB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)N(C)C2=S)cc1 409031135 GKDPRCPMMRAZAS-HAHDFKILSA-N 568.449 5.939 5 40 KKBB O=C1Nc2ccccc2/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409112339 FVJPPEARQUWKQF-MFOYZWKCSA-N 530.172 6.192 5 40 KKBB COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCc1cccc([N+](=O)[O-])c1 409177375 GAKPKMYJLLCGAN-UHFFFAOYSA-N 535.723 5.721 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)c1 409180393 RWJHXRGKVRFOQZ-YTTGMZPUSA-N 677.463 7.731 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 409219581 OHGLWDUMRLPMLQ-KEBDBYFISA-N 515.906 5.631 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc5ccccc45)C3=O)o2)cc1[N+](=O)[O-] 409273467 QZXTUNYGZYQELG-ZVHZXABRSA-N 513.531 5.991 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409371220 BPMSOFWJGRDFEW-AFUMVMLFSA-N 654.539 6.935 5 40 KKBB c1ccc([C@H](c2cccc3c2ccc2ccccc23)[C@H](c2ccccc2)c2cccc3c2ccc2ccccc23)cc1 8034701 RFUAXVYDNSFUAI-NCRNUEESSA-N 534.702 11.263 5 40 KKBB in-vitro O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CCC(CC2CCC(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)CC1 8399313 BQNMUGQSJSSPJH-JYFOCSDGSA-N 560.651 5.970 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 33358564 MPRBNOGEPWPRBO-IFMALSPDSA-N 604.010 7.700 5 40 KKBB Cc1c(C(=O)O[C@@H](c2ccccc2)C2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cccc1[N+](=O)[O-] 62566756 ZDMXGCQDFQVWPQ-SANMLTNESA-N 517.538 5.570 5 40 KKBB CCn1c2ccccc2c2cc([P@](=Nc3cc([N+](=O)[O-])ccc3Br)(Oc3cccc(Br)c3)C(C)(C)C)ccc21 97984387 RQGNWOASRBPCCA-KDXMTYKHSA-N 669.354 10.198 5 40 KKBB C[C@@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100308353 OLOPHTOKWFJOFF-DKODJIDWSA-N 593.577 6.429 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N(C)C(c1ccccc1F)=N2 102940496 DONOBNPTIHBQLS-RRHRGVEJSA-N 559.542 5.572 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)N(c4cccc([N+](=O)[O-])c4)O[C@H]3C2=O)cc1 106019026 MGXMYFRTHHVETP-FRXPANAUSA-N 593.592 5.654 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 106701408 PXTUZJJMLVVJKR-NHDPSOOVSA-N 595.438 5.914 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc(OCc2ccccc2)c1 109093859 GXAWFYYCKAKUNV-UHFFFAOYSA-N 544.555 5.030 5 40 KKBB Cc1ccc(C(=O)O)c([N+](=O)[O-])c1Sc1c(C)c(OCc2ccccc2)c([N+](=O)[O-])c(C(=O)OCc2ccccc2)c1[N+](=O)[O-] 150458409 GHUPVIULSDMKLZ-UHFFFAOYSA-N 633.591 6.813 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 164537478 IOIASHHUIIKEMU-DAIZXWHWSA-N 647.709 5.431 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br 205698982 MIBHWNCFLIKYOD-DHRITJCHSA-N 626.485 6.237 5 40 KKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H]3CC[C@H](CNC(=O)OCc4ccccc4)CC3)ccc12 217467007 RPHWOTQBPAYVQB-GRGXKFILSA-N 529.589 5.901 5 40 KKBB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224705178 QQJNSAMAHIURNL-QGZVFWFLSA-N 534.476 5.067 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 224750139 SXMLNXLPFAWDGH-IHLOFXLRSA-N 563.639 6.759 5 40 KKBB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224763392 HHNKJTVKXHCIGZ-FTJBHMTQSA-N 515.664 6.701 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc2ccccc12 225716409 VPKSAFPUYOCUMR-LOYHVIPDSA-N 563.639 6.404 5 40 KKBB CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+]2(Cc3ccc(F)cc3)CCCCCC2)c(C(C)(C)C)c1 226070331 YXSNWSADRLBBNO-NDEPHWFRSA-N 514.746 6.768 5 40 KKBB CCCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@H]4[C@@H]3C2=O)cc1 248142670 CMICDHUVEMGCEC-LJWNLINESA-N 537.572 5.046 5 40 KKBB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@@H]3CC[C@]12C 253537499 HWWNKOPGLSAYEI-DUTSDEEBSA-N 535.769 9.162 5 40 KKBB biogenic,in-vitro Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1ccc(Cl)cc1 408567209 GSSSYBKEDLKTFA-QHCPKHFHSA-N 628.763 7.988 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408574479 UXLNNZSYGDXTJJ-QHCPKHFHSA-N 642.334 7.482 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2cccs2)cc1 408639989 HAFCANJJLGFHLP-IRRGGTJQSA-N 778.237 6.562 5 40 KKBB Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 408643107 FODKVSCJYYTFTC-XMMPIXPASA-N 594.576 5.694 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(Cl)cc1Cl 408679910 FOUBGXFYQMEUJO-AGTZKDDFSA-N 626.452 6.034 5 40 KKBB O=c1/c(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 408767021 HWBVVQINLYORBE-DWDWTKASSA-N 688.834 8.413 5 40 KKBB O=c1/c(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408847204 UEWCSOSVXBOVTM-HZHHUVPKSA-N 616.655 5.714 5 40 KKBB O=c1/c(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2nc3ccccc3n12 408902554 JVSCTDDKPOETAI-JAIQZWGSSA-N 634.249 5.311 5 40 KKBB Cc1cccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)c1C 408995123 JFJBDLCXDDTALG-UHFFFAOYSA-N 544.405 7.288 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409018656 XNFIWVOUDCEBEK-MQMKENTISA-N 582.416 6.012 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4cccc5ccccc45)cc3Br)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 409077129 CPUFVUVLLIBFEJ-DBHVVYFFSA-N 714.594 6.210 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1 409091846 SKYOMMMYJAMWEA-PYCBVSLESA-N 606.660 5.359 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409096055 JLJICUUIGSWYPC-QPJBPQEWSA-N 591.089 5.234 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409097048 MDPURPQVEXBFRN-FQWZWQHVSA-N 730.622 5.556 5 40 KKBB O=C1N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 409172527 JWLVRGRNKHDVEN-UDWIEESQSA-N 528.746 5.687 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409179198 QIQOCPSGDAUISI-AQOUDTPCSA-N 644.592 7.065 5 40 KKBB CCOc1c(I)cc(I)cc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409252748 SSUCXXVETTWULB-CAOOACKPSA-N 664.215 5.122 5 40 KKBB Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3oc(-c4cccc(I)c4)nc3c2)cc1[N+](=O)[O-] 2055601 URYVTVDNHQGXQP-UHFFFAOYSA-N 544.261 5.477 5 40 KKBB c1cc2cccc3c4ccc5c6ccc7c8cccc9cccc(c%10ccc(c%11ccc(c(c1)c23)c4c%115)c6c%107)c98 64624955 GGVMPKQSTZIOIU-UHFFFAOYSA-N 500.600 11.532 5 40 KKBB in-vitro COc1ccc(CCNc2cc(N3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ccc2[N+](=O)[O-])cc1OC 100322576 MXHSYFGRTHQQBK-UHFFFAOYSA-N 595.505 5.084 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 100369596 BNBFQIBEVLCQTA-PQRKSKNISA-N 615.733 5.565 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 102370369 NNMUSNAJXQOONC-XMFJDCMESA-N 599.643 6.364 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)o1 102650560 RCFGZBBRXCIAIT-HKBQPEDESA-N 547.611 8.270 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 103547754 YEKSFGXTSXPVKO-CLWMVSBGSA-N 555.590 5.841 5 40 KKBB Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)CC2)cc1 104011468 ZBEOCCNWWWHHIE-UHFFFAOYSA-N 559.022 6.340 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106688453 COZBFYXKBLBBHI-FMCGGJTJSA-N 575.020 5.569 5 40 KKBB O=C(N[C@@H]1C(=O)n2c(nc3ccccc32)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 108990449 FXYINVKSSYTPQJ-QKDODKLFSA-N 530.540 5.147 5 40 KKBB O=C(O)c1cccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)o2)c1 208231867 LICNTIFELLNVBY-NULZLWRNSA-N 575.602 5.185 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl 214122133 MJLBVNWXGLIMBF-SRZZPIQSSA-N 511.899 6.185 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223936053 OJPWCFJSOLSINI-CCLHPLFOSA-N 665.596 5.231 5 40 KKBB O=C(O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 224787231 YJIWQYUNGIDRGE-FQLXRVMXSA-N 594.674 7.276 5 40 KKBB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224790024 RNYSBKYCYQMKKJ-RPBOFIJWSA-N 501.637 6.140 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)o2)c1 225383930 VYWRMYKBGQWSCY-VSGBNLITSA-N 526.618 6.748 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225435008 ACFWJVAUEVYCHO-SANMLTNESA-N 508.018 5.347 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc23)o1 225714459 BKMAYNHSYQOSME-IOWSJCHKSA-N 593.665 6.413 5 40 KKBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247347202 UYWKKVIQGBEANC-UPOHCCNUSA-N 559.553 5.716 5 40 KKBB CC1=C(/C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C\[C@]23O[C@@]2(C)C[C@H](O)CC3(C)C)C(C)(C)C[C@@H](O)C1 299888554 OFNSUWBAQRCHAV-CDQIRVFOSA-N 584.885 9.759 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1C 408565127 BGWVBYRVPUWKDS-VWLOTQADSA-N 598.479 6.552 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3)c(Cl)c1)[C@H]1CCCN12 408568358 TYULBJYLDBUPFK-YUHKXCSQSA-N 524.404 5.627 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408568605 ICAGWOBFPGXCLA-JNXJHSTISA-N 542.419 5.539 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc4ccccc34)cc1)[C@H]1CCCN12 408570033 YEYRQNGQDMWVJL-NUHILLRJSA-N 505.574 5.473 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408640359 AUQUVDCYFYVVRU-MOVYAIRMSA-N 571.973 5.088 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)c(C)c2)CC1=O 408672034 UWYOZCDNFQTXRF-OUFCEUTISA-N 643.652 5.267 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccccc1 408820415 XNWXPEJYBRNXEE-NDENLUEZSA-N 590.249 6.940 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408828147 VVPGXRKCVHOSLT-FUFNRSNVSA-N 696.551 5.586 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 408831842 VPEPWFJANGQTQN-POKSHJSXSA-N 621.671 5.421 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 408926521 UPBLTVJXUAWQCB-ZSJKCPIUSA-N 610.113 5.730 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408927607 YHPUYSCZXXOVSV-UHFFFAOYSA-N 638.724 5.163 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409018623 XJJWQJLCKILXND-SRZZPIQSSA-N 556.344 5.177 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409031920 BMGJHPYIXIYEHV-BQCQJZCVSA-N 796.649 5.007 5 40 KKBB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 409175896 DHHVPAXJNDJHEX-UHFFFAOYSA-N 517.559 6.026 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409181191 YTAHKOPCYPLHEC-UHFFFAOYSA-N 724.011 5.963 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409364222 WDRLZFWMBXJUMN-FHQMNNMHSA-N 774.033 6.251 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409365301 XUXIKPRCKXEBFL-IPAKXIGBSA-N 678.561 5.365 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c(C)c1 409374750 YKNQOPIOUDPSKU-SRZZPIQSSA-N 525.970 6.108 5 40 KKBB Cc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)c1 781471 VCGWBZDFKPUNAT-LJQANCHMSA-N 503.584 5.491 5 40 KKBB O=c1c2c3c(sc2n2c(SCc4ccc([N+](=O)[O-])cc4)nnc2n1-c1cccc(Cl)c1)CCC3 1865855 SVNULJAPCGIHBV-UHFFFAOYSA-N 510.000 5.438 5 40 KKBB C[C@@H](Nc1cc(N2CCN(C(=O)c3ccccc3Br)CC2)ccc1[N+](=O)[O-])c1ccccc1 9601727 WWCPOUQWSPSWGQ-GOSISDBHSA-N 509.404 5.493 5 40 KKBB CC(C)CNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(SCc3ccc([N+](=O)[O-])cc3)nc2c1 33076915 ZXXJYWQIRJBEGW-UHFFFAOYSA-N 516.623 5.226 5 40 KKBB CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)c3)nc2c1 57315995 WJXQURFCDUKJGY-UHFFFAOYSA-N 519.001 7.107 5 40 KKBB O=c1c2ccc3c(=O)n(-c4ccc(Cl)c(Cl)c4)c(=O)c4ccc(c(=O)n1-c1ccc(Cl)c(Cl)c1)c2c34 59313597 GUTFCERSZOMUKS-UHFFFAOYSA-N 556.188 5.658 5 40 KKBB COc1ccc2cc(-c3c4oc5cc(O)ccc5c4nc4c3c(=O)[nH]n4C3CCCCCC3)c(=O)n(C)c2c1 79481481 WUHRNFRQOIBCDM-UHFFFAOYSA-N 524.577 5.752 5 40 KKBB N=C(NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)NP(=O)(OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1 94303204 GJQNYHXDWRTOCW-YTTGMZPUSA-N 748.686 6.277 5 40 KKBB in-vitro CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(SCC(=O)c5cccc([N+](=O)[O-])c5)ncnc4c23)CO1 97952154 MZYHYYMNXPAJMK-UHFFFAOYSA-N 535.651 5.574 5 40 KKBB COc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OCc1ccccc1Cl 100321535 LULBUPQPVBDAEV-OCKHKDLRSA-N 533.751 6.487 5 40 KKBB Cn1ccc(=Nc2ccc(NC(=O)c3ccc(/N=c4/ccn(C)c5ccc([N+](=O)[O-])cc45)cc3)cc2)cc1 100367617 SDVVSJQTYKFAFR-QVTSOHHYSA-N 504.550 5.142 5 40 KKBB CCOC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C)c1C 102431970 BURGTVRUJQSDGH-UHFFFAOYSA-N 562.029 5.591 5 40 KKBB Cc1ccc([C@@H]2C3=C(O)C[C@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 102927480 PTPKKFCTHJXSIY-NLGDKJDOSA-N 529.596 7.767 5 40 KKBB CCN(CC)CCn1c(NC(=O)c2ccc(Oc3cc(Oc4cccc(Cl)c4)cc([N+](=O)[O-])c3)cc2)nc2ccccc21 107635087 QGPDRDAUMZOKRQ-UHFFFAOYSA-N 600.075 7.777 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(-c6ccccc6)n(-c6ccc([N+](=O)[O-])cc6)c5-c5ccccc5)c(=O)n42)c2ccccc2CC3)cc1 163258578 CAORXOIZPPJOMW-YEFJUXFDSA-N 712.831 8.360 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225115535 LUEJPYZSKJUAPA-GDLZYMKVSA-N 685.243 6.325 5 40 KKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccnc1 245283975 PKTFPGQPPNKCBQ-CICKLVQCSA-N 699.826 8.830 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 247333687 PSQFWVFXXVDHGV-NBJHOTSESA-N 541.563 5.451 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260884897 JYXZDYYMTITHCH-HXUWFJFHSA-N 700.041 6.257 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1 408569595 JTROUQZWFNGDIJ-VWLOTQADSA-N 583.508 6.734 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408643095 ORRXHBXVDCZVEH-UHFFFAOYSA-N 652.830 6.311 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408644472 RLWHRXHRPQBFHM-SAPQRMKNSA-N 660.466 5.414 5 40 KKBB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408666438 PPSCCHARBQNSFG-ZDKZYVCUSA-N 722.192 6.121 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)S2)cc1 408769677 ZAXXNCHBEWVSML-ARLGEPFESA-N 570.465 6.107 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408921524 CNBOYGPHUQDCGO-VSQRRKBNSA-N 666.756 5.425 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409107775 QJZYJFLZDXCBGB-XGLKJEJJSA-N 648.770 5.847 5 40 KKBB CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 409159320 SPXRPHFVPFBLKM-GOQPZEPVSA-N 679.751 6.210 5 40 KKBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n[nH]1 409159774 ULRFTQKCNRQKGC-GOSISDBHSA-N 556.954 5.243 5 40 KKBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(I)c1OCc1cccc2ccccc12 409314321 FRJPVNMTSRECDC-KHPPLWFESA-N 585.354 5.702 5 40 KKBB O=c1c2cc(Cl)ccc2c2ccc(Cl)cc2c(=O)n1-c1ccc2c(c1)Cc1cc(Cl)cc(Cl)c1-2 1719584 QOISMTJCLHKVAI-UHFFFAOYSA-N 525.218 7.689 5 40 KKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)cc1 2249899 OJCBTJJNFXCTBB-UHFFFAOYSA-N 508.025 6.636 5 40 KKBB O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(C3(c4ccc(OS(=O)(=O)c5ccc([N+](=O)[O-])cc5)cc4)CCCC3)cc2)cc1 4017328 BJVQVDINDXXHEB-UHFFFAOYSA-N 624.649 5.899 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(C=CC(c3ccc(Cl)cc3)=NN2c2ccccc2)S1 8817722 WQCRKOVDEMFECT-RUZDIDTESA-N 503.971 5.838 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)nc2c1 20353270 ZZTTXBMKPCJPQX-HNNXBMFYSA-N 504.568 6.052 5 40 KKBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 21124472 CGENZUUWOCDSCP-UHFFFAOYSA-N 510.978 5.455 5 40 KKBB COc1ccc2c(-c3ccccc3)cc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)nc2c1 25398352 JVGVFVLCLBPUHV-UHFFFAOYSA-N 513.497 6.568 5 40 KKBB CCN(CC)CCN(C(=O)c1cc2c(ccc3ccccc32)oc1=O)c1nc2cc3c(cc2s1)OCCO3 38144540 IXBPSLWKPGVLHP-UHFFFAOYSA-N 529.618 5.316 5 40 KKBB O=C(Nc1cccc(I)c1)c1cccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 97996130 BCRAXHJERVYAEL-UHFFFAOYSA-N 605.344 6.045 5 40 KKBB O=C1c2c(ccc3cc4ccccc4cc23)N2C(=O)[C@@H]3C(=O)c4c(ccc5cc6ccccc6cc45)N3C(=O)[C@H]12 100368903 CMYSPKZQUACNKY-KYJUHHDHSA-N 518.528 5.809 5 40 KKBB COc1ccc(OC)c(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 103556323 UHXKNIZXANIXRU-ZALLFBGUSA-N 601.615 5.468 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 109058226 JOYMIQDNZZDRMV-UHFFFAOYSA-N 573.380 6.017 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccc(F)cc1 214216650 WXMJEGSMHVAZKY-UFFVCSGVSA-N 597.340 7.544 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224031154 IPNRWOYKADBSRG-YTTGMZPUSA-N 628.751 5.265 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224373027 XWONPXOELFWDQN-YTTGMZPUSA-N 741.694 6.969 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225115500 LUEJPYZSKJUAPA-LJAQVGFWSA-N 685.243 6.325 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260885753 CKHBEEMFXSSNQC-UXHICEINSA-N 621.543 5.429 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260959552 GUNVCARHAXIZHS-UUWRZZSWSA-N 798.156 7.222 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261018502 HXEWNRYQTPBPEC-MGBGTMOVSA-N 721.276 6.624 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)cc1 408565594 CLSDNCCKAQFOCM-VWLOTQADSA-N 569.481 6.426 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408568967 VKMXIAPQIYKJEE-XABOBXATSA-N 643.332 5.854 5 40 KKBB CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC 408570898 MGHWFRKIROJORM-HXUWFJFHSA-N 507.410 5.164 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1cccc(Cl)c1 408571816 POXWZAJWPHAYLC-VWLOTQADSA-N 633.952 7.088 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 408574576 VHKGHBNZTOOYCU-QHCPKHFHSA-N 528.993 6.066 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 408596667 XKLXLPSJFICHJP-UHFFFAOYSA-N 543.907 5.394 5 40 KKBB CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408604022 CROIFHUQBPCSMG-UHFFFAOYSA-N 501.288 7.724 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730428 QTSZAGGNPMDDCZ-IMUCPKNRSA-N 621.671 5.546 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1)c1ccc(-c2ccccc2)cc1 408750087 KITXZQZZHFEUPX-UHFFFAOYSA-N 569.620 6.797 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408757655 OKSNBHZNNIKCKB-PKYOQBLNSA-N 610.489 6.249 5 40 KKBB CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 408768969 NDPRKJZXRJYHDL-LKWZWFHSSA-N 631.492 6.339 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c2=O)=N1 408784476 CKKDGCPEQCSAJL-VSQRRKBNSA-N 698.823 5.802 5 40 KKBB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)S1 408801457 TVXOHJJCRKTXBK-UHFFFAOYSA-N 519.784 6.342 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6cc(C)c(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)c1 408829454 JTIMCNIZWPMLON-DXUGRCAZSA-N 589.673 6.112 5 40 KKBB O=c1/c(=C/c2ccccc2OCc2ccc(Cl)cc2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408843825 SOQUBBOWTMVVDS-HZHHUVPKSA-N 606.103 6.459 5 40 KKBB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408849011 XQKJENYDLRNMKV-QGOAFFKASA-N 504.907 6.027 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408933471 AXTDVEDXNILQCU-TZUCAZQYSA-N 643.121 5.290 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408985892 LAZPQJWKCDEXAD-HVDVVURSSA-N 578.690 5.512 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409046018 QVTJFZCVBKEVEO-QEEORQGDSA-N 939.519 5.445 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(N2CCOCC2)cc1 409147443 XWBYSKRAXAQQHB-OEAKJJBVSA-N 568.995 5.020 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409174133 SEYWYBCXNKSUCK-UHFFFAOYSA-N 615.108 5.462 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c(C)c1 409180949 ZNVARGXENYUYEM-SRZZPIQSSA-N 556.394 5.909 5 40 KKBB O=C(COC(=O)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 1777318 BPDXGQQJSJLTIQ-UHFFFAOYSA-N 587.975 7.824 5 40 KKBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2NCCCc2ccccc2)sc2c1CCCC2 6089557 LIBAGGTUCCCXIR-UHFFFAOYSA-N 507.612 6.009 5 40 KKBB COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 101673678 LOXKQPFLISBJHP-GSLIJJQTSA-N 590.386 5.276 5 40 KKBB O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 102877146 FHJDUXIIMCMZBY-PVHODMMVSA-N 604.402 6.172 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 102889847 JOLGNNANNAVUIK-UUQNIDNHSA-N 586.560 5.359 5 40 KKBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 103117301 OKFBKUZRCISHQN-RNRUVHHNSA-N 537.403 5.887 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c2=O)=N1 104681226 CJOBUJYZGZKZSF-USDTVRPUSA-N 620.127 6.524 5 40 KKBB O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105352763 DRKFIYZJWXYMFC-UHFFFAOYSA-N 526.368 5.682 5 40 KKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccc(Br)cc1 106723612 ZMYFBEZTOYSRFF-GRSHGNNSSA-N 564.211 6.616 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106726900 OUILRUBOVLBCTQ-UUYOSTAYSA-N 570.377 6.081 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224034800 PBUZFMWVNSJAKV-FQEVSTJZSA-N 665.596 5.746 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224392122 GZAPIICLLDROFF-AREMUKBSSA-N 537.657 5.522 5 40 KKBB Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224767171 XOUBCZAUDFGDKJ-XZWHSSHBSA-N 563.708 7.417 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)o2)c1 225384030 VYWRMYKBGQWSCY-NSOVKSMOSA-N 526.618 6.748 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225613848 DNFITGQMCMWPRA-AREMUKBSSA-N 542.463 6.001 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 408565120 HRRTWHCUNGTENZ-SIJZCSJPSA-N 552.002 5.511 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)cc1 408571948 QAYDFWJNOBFBMM-VWLOTQADSA-N 569.481 6.426 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)c1 408637637 MDZMUMRPJJAYND-SANMLTNESA-N 636.657 6.817 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)C3)cc2)cc1 408658982 VJODJYLNASNBOK-AREMUKBSSA-N 578.577 5.568 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1)c1ccc([N+](=O)[O-])cc1 408670070 XWHZJVPKYXVDTB-NVFZYCOYSA-N 627.436 5.732 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 408768377 FRMHYXYCPPSEAA-OINPTKSXSA-N 658.157 6.479 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408830279 PDPJRGPWYBFEMF-MIUGUJGPSA-N 865.484 6.282 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)c(=O)n2[C@H]1c1ccc(C)cc1 408837075 YPLFDCHBTZRQHV-IPAKXIGBSA-N 678.561 5.365 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 409042168 BSDPZPJTIMRNHV-FQKMCRJQSA-N 608.072 5.407 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409093418 ZZOYNICDPGTKIO-JBDHCHCMSA-N 743.430 5.819 5 40 KKBB CC1(C)OC(=O)C([C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c2c[nH]c3ccccc23)C(=O)O1 409120269 SVVLFCYTYQQQIE-DEOSSOPVSA-N 534.952 5.893 5 40 KKBB COC(=O)COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409132224 LUCCVJPLTMMUMX-PMERELPUSA-N 537.572 5.508 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409158648 UHQVZDOMCZJSDZ-FSJBWODESA-N 578.559 5.596 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(I)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409167970 PFQVMGBJURPLKW-UHFFFAOYSA-N 629.860 5.312 5 40 KKBB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409176400 MMERMJWENNNZEI-MUUNZHRXSA-N 529.570 5.658 5 40 KKBB O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409183226 SUVSZLWONRBQSX-NDEPHWFRSA-N 563.591 6.752 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 409192562 YRVLTLMKADOXKW-JLKMOJGBSA-N 731.256 6.187 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1Cl 409274038 UFPQWPRHGUCTIN-FSJBWODESA-N 553.980 5.511 5 40 KKBB CC(C)Cc1nc2sc3c(ncn4c(SCC(=O)N[C@@H](C)CCc5ccccc5)nnc34)c2c2c1CCCC2 53319259 ITZYSPXBGLDJKF-IBGZPJMESA-N 558.777 6.194 5 40 KKBB O=C(Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=O)Nc1cccc2ccccc12)Nc1cccc2ccccc12 59663335 HAJNWOOEFPWFMC-UHFFFAOYSA-N 535.560 6.576 5 40 KKBB COc1ccc(C[C@@H]2c3cc(OC)c(OC)c(OC)c3CC[N+]2(C)C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CCN2C)OCO4)cc1 82190998 BWMIXNFPFRIESN-JHOUSYSJSA-N 697.849 6.939 5 40 KKBB Cc1cc([N+](=O)[O-])nn1Cn1nc(-c2ccc(Br)cc2)cc1-c1ccc(Br)cc1 97945249 WYNSBCACMMMWLD-UHFFFAOYSA-N 517.181 5.661 5 40 KKBB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c3cc(Br)ccc3n2)cc1 97948899 ANBBJCZVOLXABK-UHFFFAOYSA-N 613.420 7.413 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 101670536 AWALKTLCXQTGLT-GGKJBDKJSA-N 571.589 5.585 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 102748479 VFDJNELIPCLBFQ-SDHSZQHLSA-N 550.354 6.213 5 40 KKBB Cc1ccc(C2=NN(c3ccc(-c4sc(-c5ccccc5)c(-c5ccccc5)[s+]4)cc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 103547159 LMCXVEAQCKDNKX-WJOKGBTCSA-N 616.813 10.726 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105313285 KUWUTJIICYCTHD-UHFFFAOYSA-N 572.046 6.937 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)cc1I 105314615 FYFQPYUEWZERGQ-UHFFFAOYSA-N 521.336 5.203 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 107750627 VIFVYNGYZWWACJ-ITIZVALFSA-N 598.464 5.582 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 150364894 GCDWSLBGMAWZLS-KOHOJCOXSA-N 762.025 7.073 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 150468549 PQPMGDRKAKCHQS-FMCGGJTJSA-N 666.471 5.521 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 163548212 CIFWKOLUPQGDCV-QYIOYSLNSA-N 793.465 7.087 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223587060 OGWIOCDSFXNQQA-SANMLTNESA-N 645.178 5.484 5 40 KKBB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 224549070 PWNCRLIAJMWJOF-DQEYMECFSA-N 502.552 5.444 5 40 KKBB Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1Cl 224784424 ZUIXCTFSAJYGLS-LOYHVIPDSA-N 598.153 8.071 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1C 225172424 LWRQYQCDEXLDNE-VSGBNLITSA-N 557.632 6.092 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 408565348 BTRWXWISZUGNNE-AREMUKBSSA-N 522.602 6.111 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 408566025 DOWSUFUJMZATAX-XMMPIXPASA-N 559.019 6.075 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(OC)c2)cc1 408573932 UEKSLWBYQNFUOR-RUZDIDTESA-N 524.574 5.421 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408575078 VYKNFLVMEKZGKG-DEOSSOPVSA-N 579.893 7.234 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408648636 JYWHRJPDNXZACS-CHABCMITSA-N 606.418 5.741 5 40 KKBB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 408664595 SUSKJUKQJPDASN-BDRLMTCPSA-N 626.496 6.046 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408690182 ZYGDCBKHNVOCEQ-SNINSWTHSA-N 658.536 6.252 5 40 KKBB O=c1/c(=C/c2cccc(OCc3ccc(Cl)cc3)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408826684 CFRWJBXJUGWNEH-KFOJKGMOSA-N 606.103 6.459 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1 408839195 OPJYUFLMQCZMCL-VCHYOVAHSA-N 618.248 7.443 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 408875705 KCHBMBNHNHCESK-FMCGGJTJSA-N 587.532 5.876 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 408913660 NHJHKXLNZMGABT-FWESEHMYSA-N 732.634 6.255 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 408988496 QZORPWIRNZZGDM-CTHKJOMYSA-N 869.475 6.632 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4c5ccccc5cc5ccccc45)c(=O)n32)cc1 409042833 XXIYQVYPOAXFEV-ASUJOLEISA-N 562.691 5.892 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409048173 QWGFGXMZLLOUBN-OOIQZMFUSA-N 542.975 5.689 5 40 KKBB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)N(CC(=O)OC)C2=S)cc1 409074692 WUOPFBLPIBCFLI-IWIPYMOSSA-N 610.486 5.646 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1CCCc1ccccc1 409143291 LMSVXNNTDNZZCC-LFVJCYFKSA-N 600.434 6.448 5 40 KKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 409167117 HMRDFMIJAGJDAC-WSDLNYQXSA-N 534.506 5.279 5 40 KKBB COc1cc(C=O)ccc1OCc1ccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)cc1 409261034 AGJZDOAQMMQOQS-KYHGBAKBSA-N 640.670 6.819 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)N1CCc2ccccc2C1 409273211 JDXSHJNLFIEAIO-WSDLNYQXSA-N 523.954 5.129 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 1751150 JPXMHWGNTBKZTR-MFCBUNOESA-N 572.067 6.202 5 40 KKBB COc1ccc(/C=C2/N=C(SCC(=O)Nc3cccc([N+](=O)[O-])c3)N(c3ccc(OC(F)F)cc3)C2=O)cc1 3332223 WADIKRDYAYYVKS-LPYMAVHISA-N 554.531 5.320 5 40 KKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Oc4ccccc4)cc3)c2ncn1Cc1ccc2c(c1)OCO2 6150724 FPRFPEPCUFEWDD-UHFFFAOYSA-N 539.551 5.853 5 40 KKBB COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CC2 9391270 CTZOYFPUPISULI-JOCHJYFZSA-N 500.910 5.223 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 97997126 QKABGZQGQRBMMY-UHFFFAOYSA-N 605.352 6.587 5 40 KKBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 103112793 NRAMWKLWKDXFLT-HSZRJFAPSA-N 578.430 5.223 5 40 KKBB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 103555403 JPSWEZZIEGDXBS-CUTZTJRCSA-N 615.642 5.858 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745872 LNIQONOCCYHYEG-YSMPRRRNSA-N 575.440 7.326 5 40 KKBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 205734635 CVLKPOXGPGKRHP-GIJQJNRQSA-N 614.268 5.687 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 215128991 CVAJPTRJSKFMLN-FOKLQQMPSA-N 528.945 6.211 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NC(=O)C(C)C 224115269 WBYLOTIJEPUNEF-KAYWLYCHSA-N 541.633 6.330 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 224718160 KBQQACKXWMAYAU-KYJUHHDHSA-N 548.624 7.528 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225248366 VUCFDCLCSUVXNV-NRFANRHFSA-N 710.047 5.857 5 40 KKBB CCCCOC(=O)CCC[C@@]1(c2ccccc2)[C@]23C4=CC=C5c6ccc7c8ccc9c%10ccc%11c%12ccc4c4c2c2c%13c(c6c7c6c8c9c7c%10c%11c(c4%12)c2c7c%136)[C@@]531 256089401 FZYQHMHIALEGMG-NDAIWIMOSA-N 722.843 13.636 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261020744 IFAJFIGFOVYSSZ-JQJBXXCASA-N 741.694 6.969 5 40 KKBB COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccccc2[N+](=O)[O-])N3Cc2ccccc2)cc1 408528849 LNYYLFMGZFVWTC-UMSFTDKQSA-N 634.714 7.078 5 40 KKBB Cc1c(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 408586630 OIQSRKVGWNLGKW-UHFFFAOYSA-N 542.828 5.693 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1Cl 408638939 DRKUVVCMPZGJSX-UHFFFAOYSA-N 567.168 5.745 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)cc2)c1 408639168 VSHBGPXJXBHCRP-NRFANRHFSA-N 516.550 5.598 5 40 KKBB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c1 408686945 SUCKVJMBWYXTBE-UHFFFAOYSA-N 774.998 6.190 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408825619 ITIWUWOSNHRLTF-MRWVFDTMSA-N 643.718 5.081 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408827608 LMJIXZMASYRGLI-PKYOQBLNSA-N 739.588 5.597 5 40 KKBB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409030422 DHXOGKPFYDBFIK-BKUYFWCQSA-N 603.292 6.303 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409041085 IDVUBBIQRXFIPL-YQHHHJOQSA-N 522.557 5.344 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409086297 QHFKENGAZFKBIB-UQDCTOEPSA-N 664.534 5.057 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409113267 HHYOKURYGRVFFO-LAUBZIAYSA-N 633.195 6.125 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1 409141959 KIRWHPMLTXLPSU-GKKFRVOYSA-N 655.783 5.463 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409188864 GZWYTMMFNSZXMN-SIMLCNRJSA-N 553.354 6.264 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)o2)c([N+](=O)[O-])c1 409347672 MZVPZAGKCKMDRM-RGVLZGJSSA-N 605.366 5.143 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409369695 WAEREXYQALOVMJ-UHFFFAOYSA-N 565.561 6.982 5 40 KKBB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c(Cl)cc2Cl)cc1Cl 3226178 QYSNOIJYKOAZQV-UHFFFAOYSA-N 578.789 5.764 5 40 KKBB COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4cccc([N+](=O)[O-])c4)c(N)c23)cc1OC 6162825 JWBGGZLRLXKUDZ-UHFFFAOYSA-N 526.574 6.390 5 40 KKBB CCc1ccc(C2(c3ccc(CC)cc3)S[C@]3(SC(C(C)=O)=NN3c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 8443963 AUVSCTWNJWXWBY-MGBGTMOVSA-N 579.747 8.025 5 40 KKBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1 22278838 JUEXWIWRMHPVAP-UHFFFAOYSA-N 515.591 5.019 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 100305768 QVBOVMXZQUIBPV-ZSJKCPIUSA-N 622.497 5.462 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1cccc([N+](=O)[O-])c1)(N1CCOCC1)N(C1CC1)C(c1ccccc1F)=N2 102940552 OLGNZADTWOLGSO-WBCKFURZSA-N 585.580 6.105 5 40 KKBB C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 102975664 SHVWJUDABUOHMI-NSHDSACASA-N 607.255 6.193 5 40 KKBB O=C(COC(=O)C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1)Nc1ccc(Cl)cc1[N+](=O)[O-] 102983469 AUZACIWLUGFHNC-KQWNVCNZSA-N 614.079 7.550 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 103545476 QBNRBOVWXWPHPX-KCIBBDPESA-N 559.553 5.590 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 103552451 FCQOIALZWRCTEL-ZPNDBRHUSA-N 585.616 5.850 5 40 KKBB O=c1/c(=C\c2cccc(Cl)c2Cl)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 103818137 MHKYGHWNTCWVIM-BLJGQIRFSA-N 534.424 5.534 5 40 KKBB COC(=O)c1ccc(Oc2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)c([N+](=O)[O-])c1 106745894 BGACDDSEMCOEBN-FMCGGJTJSA-N 565.516 5.327 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 109957266 KOUHNFUFGPGHPA-ZUFYJRLNSA-N 535.025 7.096 5 40 KKBB COc1ccc(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 140105478 JPEMCQXDDZJVEN-SSEXGKCCSA-N 559.644 5.321 5 40 KKBB O=C(c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 150441022 WRWDXTPZIZYFOL-RJRATBSMSA-N 672.119 7.394 5 40 KKBB CCCC[C@H](CC)Cn1c(=O)c2cc(-c3cccs3)c3c(=O)n(C[C@@H](CC)CCCC)c(=O)c4cc(-c5cccs5)c(c1=O)c2c43 217485884 MXCXQAUCCPZPDH-ZEQRLZLVSA-N 654.898 8.955 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222565824 IXSQECOTTRKEAF-DHUJRADRSA-N 686.831 5.828 5 40 KKBB CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N@+](C)(Cc2ccccc2)C2CCCCC2)c(C(C)(C)C)c1 245240528 ZKKOEEJLMHFPLK-DODOAAEWSA-N 510.783 7.017 5 40 KKBB COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408553618 APRJIPRLLVTVNB-JOCHJYFZSA-N 559.349 7.500 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408686236 RBDTUAQZBMDKIK-UHFFFAOYSA-N 557.148 6.201 5 40 KKBB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 408720457 PRMPKDWDMZFUCI-QKENHZOPSA-N 506.558 5.619 5 40 KKBB O=C1S/C(=C\c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)C(=O)N1c1ccccc1 408819411 RYNONAQCBLMCKZ-YVLHZVERSA-N 505.733 6.512 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)cc1 408854021 VSSFUTWMCWGSIS-ACHQHTMYSA-N 725.621 6.522 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916642 FMNHKHKOVYDRAU-SRZZPIQSSA-N 560.371 6.625 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408932446 XCTACHQCAYOYIK-MXAYSNPKSA-N 626.485 6.318 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409043679 ZAEHIONBNSBISH-JAYSWQADSA-N 713.404 5.811 5 40 KKBB Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)c([N+](=O)[O-])c1 409178480 IPBPNUBIKBIOSU-UHFFFAOYSA-N 553.483 5.761 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c2)cc1 409181090 VZENIAGWPWXYIA-UHFFFAOYSA-N 524.573 7.294 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cccs1 409190425 MXASYMVXFHRZQQ-OCEWKHMESA-N 693.232 5.851 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409203091 WHNROVKSJRDBBB-ZVHZXABRSA-N 598.033 6.449 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409270065 BTAITNXQJCBDCT-WYMPLXKRSA-N 601.559 6.706 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 1313550 QBNRBOVWXWPHPX-NBJHOTSESA-N 559.553 5.590 5 40 KKBB Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccccc2)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 1314131 WKTLZZXWTWDBJT-WFPUBZAHSA-N 555.590 5.759 5 40 KKBB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C4CCCCC4)cc3)nc3ccccc23)cc1[N+](=O)[O-] 1857999 XFRUVZGBSXYCRS-UHFFFAOYSA-N 508.574 7.206 5 40 KKBB O=C1c2cc(I)ccc2N[C@H](c2c3ccccc3cc3ccccc23)N1c1ccc(Cl)cc1 2748936 JXMHPTYDEALUHC-MHZLTWQESA-N 560.822 8.022 5 40 KKBB COC(=O)c1cc(Sc2ccccc2[N+](=O)[O-])c(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)s1 3227252 KEGGBEUYMFILJA-MDZDMXLPSA-N 530.580 5.272 5 40 KKBB O=c1c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2nc(N2CCCC2)n1-c1ccc([N+](=O)[O-])cc1 8398397 QFXIXUZPBTWCMH-UHFFFAOYSA-N 546.612 6.233 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 8901969 FOBHVVCSTQVAHB-UHFFFAOYSA-N 505.383 5.178 5 40 KKBB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=O)Nc1ccc(Cl)c(Cl)c1 59663330 VRUAOSOGNUCXGY-UHFFFAOYSA-N 573.220 6.883 5 40 KKBB O=[N+]([O-])c1ccc(N=[P@@](c2ccccc2)([C@@H]2CCCC=C2N2CCOCC2)N2CCN(c3ccccc3)CC2)cc1 102919369 FYXDJQFXSRYRLG-XCHPQAQBSA-N 571.662 6.259 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(Cl)cc1)[C@]21C(=O)Nc2ccccc21 103547672 PNPZEWJZMSIVKO-YQQRZDPSSA-N 590.035 6.494 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1[N+](=O)[O-] 105313368 BGCKCVPNUBEGHB-UHFFFAOYSA-N 538.585 6.596 5 40 KKBB CCOc1ccc(/N=c2/ccc3c(-c4c(Cl)ccc(Cl)c4C(=O)O)c4ccc(Nc5ccc(OCC)cc5S(=O)(=O)O)cc4oc-3c2)cc1 150386633 TVKRGBVJWKTJJB-XFDYYPNTSA-N 719.599 9.230 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223050029 AJWPMJJISLNGSN-FCHUYYIVSA-N 631.151 5.093 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223713810 HNGLURHBWJBVPF-ZBLYBZFDSA-N 537.657 5.522 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223802653 RJBQAXNEXUGOHC-FQEVSTJZSA-N 651.569 5.357 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)o2)cc1 223957534 BJCRYRFEURAFMC-RRPNLBNLSA-N 527.606 5.264 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(Br)cc4)o3)cc2)cc1 224786373 LIKVSGQYZSJTGA-FQLXRVMXSA-N 629.561 8.341 5 40 KKBB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC 225309781 KRXIYALNMTYZKD-SXOMAYOGSA-N 559.604 5.020 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225386300 VWQWMNNVHYSXEG-NDEPHWFRSA-N 563.626 5.210 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225645502 PFAIKYVWNCIJSO-PGUFJCEWSA-N 702.830 5.672 5 40 KKBB CCCCNc1c(C(=O)OCC)c(-c2ccc(Br)cc2)c([N+](=O)[O-])c(-c2ccc(Br)cc2)c1[N+](=O)[O-] 261828457 OTJNBFKGSFXJSR-UHFFFAOYSA-N 621.282 7.751 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1C 408572423 RDJOIYBLRHRQGH-XMMPIXPASA-N 577.921 7.842 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)cc1C 408577362 ZBBKGYWMTILXDJ-RUZDIDTESA-N 571.472 6.783 5 40 KKBB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408603256 BRYFRKVEHXSJMD-UHFFFAOYSA-N 540.729 6.861 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Br)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 408830686 OOHRCZFNMIOSLQ-OIUASMPBSA-N 699.583 6.430 5 40 KKBB Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc([C@@H]5N[C@@H](C(=O)O)CS5)cc4[N+](=O)[O-])sc3c2)cc1 408994278 YXKPWVJOKUDKTN-WZONZLPQSA-N 552.659 5.705 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccc(C)cc3)c3ccc(C)cc3)[C@H]2C1=O 409078178 HWXBALKKMGLVJA-BYSIJJKSSA-N 506.558 5.644 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409133411 LONGGNJCIWGZSV-UHFFFAOYSA-N 539.997 5.552 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409176549 QXQMWGPULQMSPM-UHFFFAOYSA-N 679.560 5.853 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409184326 XNZCTDIWWZGJTA-UHFFFAOYSA-N 673.169 5.817 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409364109 LIRQYXATDOWJMJ-CVXNTFFOSA-N 661.567 6.325 5 40 KKBB Cc1nc2ccccc2c2c(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)c3ccccc3n12 3305520 XWRQMKXOJQAMHH-UHFFFAOYSA-N 533.053 6.029 5 40 KKBB Cc1cccc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2cccc([N+](=O)[O-])c2)c1 13582660 NMOWVESNDGKTQK-DHZHZOJOSA-N 509.303 5.377 5 40 KKBB O=[N+]([O-])c1ccc(-c2nc3c4c(ncn3n2)OC2=C(CCC/C2=C\c2ccccc2)[C@H]4c2ccccc2)cc1 13643622 RHVUYCUACUDVRW-JNCGISBCSA-N 513.557 6.745 5 40 KKBB COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1ccccc1Cl 59294222 VAXRIDADBYRYML-NTCAYCPXSA-N 517.925 6.421 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 59331946 ZSGGJDBCKTUCCP-UHFFFAOYSA-N 520.929 5.316 5 40 KKBB CCCCCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 102707918 WNUSWKUQRMNRRP-GMQQYTKMSA-N 515.566 5.605 5 40 KKBB O=C(COc1ccc2ccccc2c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 102928392 XXUYTCZNLKJVAE-NORQUDEJSA-N 562.582 6.858 5 40 KKBB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1Cl 105318990 XSRKOSSUUXKTDA-UHFFFAOYSA-N 555.890 5.890 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223596019 UUIXIMWAIQHFEQ-DEOSSOPVSA-N 514.409 5.220 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224496285 SQXDPYBISUKLSM-WJOKGBTCSA-N 707.647 6.107 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224895383 ATRRZFDVOSNNEE-MHZLTWQESA-N 520.029 5.490 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225071449 CPSDWGRWBRZYAM-DHIUTWEWSA-N 645.178 5.401 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 247330161 OSHSCLJTDFLDGI-TVXPCSCSSA-N 547.592 5.638 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261074445 QFDUYTQOERNWDD-YADHBBJMSA-N 675.602 5.202 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 408565190 ITOVNRQMLIFZIK-XABOBXATSA-N 537.975 5.121 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408644062 QPJOAGQRXADBEW-WCQFOESSSA-N 813.088 8.381 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408685716 QBRDEJGGXRLRMA-HCXPYDJZSA-N 608.448 5.807 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733938 SKQRIVQCMSPGDK-UPWSPCOFSA-N 660.060 5.578 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408934970 DWBZVQHNTDPOOA-PRLWALMFSA-N 587.654 5.062 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 409032747 NDWRZASTCBJCFC-LCQSEVKBSA-N 622.099 5.717 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1cccc(Br)c1 409152358 JPZNOULBHJZIPL-VXLYETTFSA-N 564.211 6.616 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 409156840 PERNSHLNTNZKSX-FSJBWODESA-N 666.428 7.242 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)ccc1Cl 409157062 UNWCLPDONIHLGL-BHGWPJFGSA-N 742.910 8.064 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCc1ccc(Br)cc1 409183743 UMQNXZBPMOIZDI-UHFFFAOYSA-N 545.729 5.177 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 2076739 IZWINJARDHMDOE-JUJAOGAQSA-N 568.221 5.313 5 40 KKBB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c(C)c(C)c(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 16807680 YJTAEJYLDBZOEU-UHFFFAOYSA-N 521.595 5.750 5 40 KKBB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 22834582 DLRNLWNLTBGOAE-UHFFFAOYSA-N 510.550 5.378 5 40 KKBB CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@H](Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC 70670156 QUHKMDJLJIBVDI-UFZQUDRDSA-N 574.715 5.237 5 40 KKBB biogenic COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 100134264 DHAWIWDWAMRVLR-UHFFFAOYSA-N 607.629 7.830 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 100369601 BNBFQIBEVLCQTA-NNAGEYCMSA-N 615.733 5.565 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)SC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccccc12 102890951 JBFMTCIQWXOVAM-GDLZYMKVSA-N 592.529 8.207 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105322092 MGNODQLQLXFFBF-UHFFFAOYSA-N 530.968 5.723 5 40 KKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl 106700771 ZHHKYSVWIKSIKD-FBHDLOMBSA-N 551.860 7.943 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N1 164189175 XRJCWOZFFOBJLM-PNQAETMRSA-N 673.744 5.092 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223368381 GNTYMBLVJFPICY-AREMUKBSSA-N 601.125 5.166 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223601610 ISKSDLFVXZHDON-IDISGSTGSA-N 554.112 6.036 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223609089 JDZHFVHOCBKRQK-NLGDKJDOSA-N 663.196 5.998 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223805508 SYIWZCJJLGMLMO-AREMUKBSSA-N 679.623 6.138 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223912810 PFUKQJBHZUIHAV-AFMDSPMNSA-N 542.463 5.999 5 40 KKBB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225617409 GQCMCXAQXDWWHW-LJQANCHMSA-N 607.516 5.039 5 40 KKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247302848 FNXRVTBRAAEYRE-LWSSLDFYSA-N 549.370 5.056 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260895074 SJJCXGTUZLEMCO-JGCGQSQUSA-N 772.118 6.688 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)O)o1 408633667 OKVWJXYDZWKQRJ-UUYOSTAYSA-N 539.953 6.104 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(Br)cc1 408643853 QDBSENIRSXHURA-UHFFFAOYSA-N 646.064 6.507 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408646746 UJKYKFHQDKPZDD-UHFFFAOYSA-N 943.975 8.163 5 40 KKBB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)c1 408680017 FVANEWMIJFTLJM-HHLQZUTDSA-N 682.127 5.290 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1 408684117 MVSHMSKXTOQINS-QKCPIRFBSA-N 686.546 5.935 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(C(=O)OCC)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408830171 YFIQVJDBPUBHPR-USDTVRPUSA-N 720.598 5.533 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 408914457 NZBZNUMOKZCSQQ-CWJUKMOQSA-N 875.504 6.694 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC 408989391 UEIRBUYNRPXESZ-QDNAUZDWSA-N 658.914 5.391 5 40 KKBB COc1ccccc1N1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409055825 FJFZOTWFISVTQC-MTJSOVHGSA-N 714.275 6.633 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 409085726 CWMSDQBPDZDUKG-BPOMCQNBSA-N 669.763 6.102 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 409093311 YTPXAWYOTJTPCK-FATJQOLTSA-N 632.698 5.370 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1 409103743 BRODAKNSSHKFIK-UAMLYEQYSA-N 647.153 5.253 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409221843 VJUCOKYKZZWPPO-CIAFOILYSA-N 572.799 6.086 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409266837 YREZBZMHCUOUEE-QRVIBDJDSA-N 645.431 5.462 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 409331967 IVYTUIHVLUJTGT-MUUNZHRXSA-N 561.660 6.690 5 40 KKBB O=[N+]([O-])c1c(O)nc(/C=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)nc1O 409339624 XFXCJEXAZLZGRS-KXFIGUGUSA-N 513.131 5.615 5 40 KKBB CCOc1ccc(-c2n[nH]c3c2[C@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(Br)cc2)C3=O)cc1 1404714 JUSCWSIJWZVXCU-DEOSSOPVSA-N 519.355 5.896 5 40 KKBB CCCCCn1c2nc3cc(OCCCC)c(OCCCC)cc3nc2c2cc(Br)cc(Br)c21 2594406 MLCYERVFKLXFCX-UHFFFAOYSA-N 591.388 8.811 5 40 KKBB C[C@@H]1CCCCN1CCCNc1cc2oc3cc(C(C)(C)C)ccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12 8738084 LOBLGSUWEVUGPY-HXUWFJFHSA-N 523.677 6.915 5 40 KKBB Cc1ccc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2cccc(C(F)(F)F)c2)cc1 44087823 VLWAUNJCKDWHLR-UHFFFAOYSA-N 512.513 6.506 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 84429306 DMPUUBXDPAHJAF-RDEJXQTHSA-N 502.527 5.054 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(-c3nc4cc5ccccc5cc4[nH]3)cc1)C2=O 98023319 ZGGGVRWBQFLYBL-UHFFFAOYSA-N 538.519 6.323 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 100331253 CADVJEXUNDDBFV-ZVHZXABRSA-N 533.562 5.166 5 40 KKBB COc1ccccc1/C=C1\CCC[C@H]2C1=NN(C(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)[C@H]2c1ccccc1OC 102967821 MOAXSUQGWYIMQZ-CJKCCVOKSA-N 582.657 5.885 5 40 KKBB CCOc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c([N+](=O)[O-])c1 103798699 RNAWHKKQEXAXGI-UHFFFAOYSA-N 575.691 6.490 5 40 KKBB O=C1OC(c2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)(c2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c2ccccc21 150384207 IWHUPKOPZTWUIV-UHFFFAOYSA-N 666.558 5.567 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150395717 AAICMHZZCCUEFD-CTHKJOMYSA-N 672.115 5.774 5 40 KKBB Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224780784 LOSXTAFNOOXJED-LOYHVIPDSA-N 563.708 7.417 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225188921 WKCTUANGTOKBLB-NHCUHLMSSA-N 665.596 5.746 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 225253427 CUHLGOGDTLJTBC-IZZNHLLZSA-N 564.023 5.665 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 226517176 VQVOKINOJHJTMS-KMSGKWRYSA-N 598.995 5.638 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261113343 YCGYYNIHBFQFTB-UKJJDJLKSA-N 663.196 5.998 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408543675 PYMMNRIXCHFLDH-VEILYXNESA-N 587.654 6.045 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H]3[C@H](C)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3[N+](=O)[O-])cc2Cl)cc1 408569412 WQKIERZRQVVRAE-ANVUSGOZSA-N 512.393 5.449 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)cc1 408569965 KJVMBJQTSGRWNS-RUZDIDTESA-N 587.471 6.565 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OC 408570258 KPADRJUJPMHIIK-LJQANCHMSA-N 507.410 5.164 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)c1 408571997 QGDJAJZFVOSQPU-XMMPIXPASA-N 584.452 6.244 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1 408576028 XESHSVXLJKIFBT-VWLOTQADSA-N 508.575 5.803 5 40 KKBB CC(C)[C@@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408652890 IMLHVTLKOFHXMM-CGHKXIPFSA-N 613.881 5.909 5 40 KKBB CCN(CC)c1ccc(N2C(=O)c3cccc4c(-c5ccc(Br)cc5C)c([N+](=O)[O-])cc(c34)C2=O)cc1 408756854 KAKXTEQQINOPBZ-UHFFFAOYSA-N 558.432 7.133 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408769914 QLYZKXZUOVGMBG-FCVOFCDTSA-N 724.586 5.074 5 40 KKBB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408932438 XBGBIYGOEFUTDD-UUYOSTAYSA-N 542.375 5.972 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409022114 JQFWCPCDVGIAGV-YBFXNURJSA-N 521.389 5.780 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409040344 YJDTVHWGXBKZHD-OCDQFKQQSA-N 769.614 5.686 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 409052669 HQNUOPOIJCEMHH-UUYOSTAYSA-N 789.773 6.184 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409135962 WWGJYFIJQPTEDQ-FSJBWODESA-N 561.454 6.562 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1 409162053 CHQXBQAVDVJUBT-OEAKJJBVSA-N 503.536 5.157 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)o1 409174147 LOMKSACDMGUBHG-RGVLZGJSSA-N 515.341 5.862 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(Cl)cc1 409194631 QJVBLNWFYJIDSF-DDBFQISPSA-N 748.718 6.748 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OCC)c3)C2=O)ccc1Cl 409206061 MAECAPOXTPIPMP-CFRMEGHHSA-N 641.058 6.076 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1F 409266082 JNCMJAWLSFVTQX-CFRMEGHHSA-N 615.433 6.393 5 40 KKBB CO[C@@H]1C=CO[C@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C 1084665895 NZCRJKRKKOLAOJ-DEZABFAISA-N 785.891 6.158 5 40 KKBB Cc1cccc(N2C(=O)c3cc(I)ccc3N[C@H]2c2cc(Cl)ccc2[N+](=O)[O-])c1 2085559 CVLYQLOMQDVKGZ-HXUWFJFHSA-N 519.726 5.932 5 40 KKBB O=C(O/C(=C\c1nccn1Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 6445546 GBIGIDKAKNELOO-HAHDFKILSA-N 504.886 5.756 5 40 KKBB C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCCc1c[nH]c2ccccc12 8792354 YNALEBZPGHPNGU-SFHVURJKSA-N 500.558 5.199 5 40 KKBB biogenic O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 96022302 IQAYAFZLRVHTAS-QYVRTBTHSA-N 558.546 5.031 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc2[N+](=O)[O-])cc1 100367125 VPTHNRXLKDMAMV-UUYOSTAYSA-N 540.022 6.383 5 40 KKBB O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 102896823 BBUWHNWAKLCWMN-PFBJBMPXSA-N 569.957 5.519 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)nc2c1 105312595 DMMIKELWMUHPJF-QGZVFWFLSA-N 540.601 7.303 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105320369 FKKSBBNWBYJEAG-UHFFFAOYSA-N 570.343 5.097 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106740579 AAJXFDZVLSKCFT-YVNNLAQVSA-N 594.270 7.480 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 150394892 TXZQOVWBQAYGKA-QZVQSRICSA-N 633.726 6.536 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223653169 ACNJEEAABLZPAL-AREMUKBSSA-N 675.204 5.491 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224962615 OVXVNNHTHANRQJ-WJOKGBTCSA-N 632.714 5.094 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261093497 UPKNRKUIYOPUEA-FOPBOCKXSA-N 721.276 6.624 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408564394 CMUZECKZIBMNGH-KLPDMWAPSA-N 612.908 6.135 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)cc1 408565726 CXHWSYAJAVVYKL-XMMPIXPASA-N 555.454 6.036 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc2ccccc2c1 408570368 LDTUOSVOCCRIHM-LJAQVGFWSA-N 558.635 6.956 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 408574503 UZFKWTZJPODBLU-XMMPIXPASA-N 557.445 6.475 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)C(=O)O)n[nH]1 408632283 PQPSGIZVMVVVBX-WSDLNYQXSA-N 555.037 6.719 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)cc1 408822670 BQYIHUGNLFCVTM-IYVASWNSSA-N 774.431 5.961 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408854325 CNHAHIQJJRSPQF-HVDVVURSSA-N 620.687 5.749 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cccc2ccccc12 408870516 WGNQIKKQABIVQL-ASZNLBCTSA-N 565.607 5.120 5 40 KKBB CC(=O)Nc1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)cc1 408997090 QZCXHGYWLNNVHA-UHFFFAOYSA-N 500.898 5.904 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409096292 DCVXIRREWCTYNF-XLHJEKARSA-N 696.811 5.129 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl 409159361 TVLMZWDJJUWTAZ-BHGWPJFGSA-N 657.013 5.809 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409191092 SEWBANRXOZSBOG-XIHDXPBISA-N 830.570 7.501 5 40 KKBB Cc1ccc(CN2C(=O)N/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 409223320 FGJGHDQTNLATFM-WSDLNYQXSA-N 695.251 5.784 5 40 KKBB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 409231283 JPDURGVQNXGIQH-LPYMAVHISA-N 569.355 5.180 5 40 KKBB O=C1S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1c1ccccc1 409274692 FTPCESCNKNKDNB-JAIQZWGSSA-N 565.323 7.409 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3)[C@H]2C1 585139695 TYZTVRJMCYQKFN-GOZTYPKWSA-N 546.454 7.984 5 40 KKBB O=C(Oc1ccc(-c2cccc(-c3ccc(OC(=O)c4ccccc4[N+](=O)[O-])cc3)n2)cc1)c1ccccc1[N+](=O)[O-] 2751430 CRSZGIJKSOFCMN-UHFFFAOYSA-N 561.506 6.670 5 40 KKBB CC(C)OC(=O)c1c(NC(=O)c2cc3nc(-c4ccc([N+](=O)[O-])cc4)cc(C(F)(F)F)n3n2)sc2c1CCCC2 3038192 MUIWXZJPYGESSZ-UHFFFAOYSA-N 573.553 6.081 5 40 KKBB C[C@H]1CCc2c(sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2-c2nc3ccccc3s2)C1 3200413 SDJYCABGOQJHSL-ZDUSSCGKSA-N 505.646 7.525 5 40 KKBB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2c3ccccc3cc3ccccc23)nc1C 3279137 OWCPOJGBYHLNHX-UHFFFAOYSA-N 538.625 6.325 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1F 16688745 LIIUWXMRTHUXJD-UHFFFAOYSA-N 508.377 6.220 5 40 KKBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccc(Br)cc2)o1 22826712 YUTZHUYVYJDUJT-UHFFFAOYSA-N 503.359 5.354 5 40 KKBB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)c2)cc1 60016171 QEBPMMZQDQCRDK-UHFFFAOYSA-N 571.655 5.957 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(Br)c3ccccc3C2(Br)c2ccccc21 68583017 GIOWBTFPAZNCPA-TUUBTQOTSA-N 554.194 5.005 5 40 KKBB CCOc1ccc(NC(=O)CSC2=N/C(=C/c3ccco3)C(=O)N2c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 97979157 XECLHXMYSZMEDX-UDWIEESQSA-N 558.519 5.304 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(I)cc1 100236637 DKQURGYNAFZILY-QRVIBDJDSA-N 602.406 6.024 5 40 KKBB C[C@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 102429999 TUMBISDAFHBJMV-AWEZNQCLSA-N 522.949 6.538 5 40 KKBB O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 102437467 RMVMWKIXQRQJKV-CSBHBGLHSA-N 571.589 5.317 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(-c2nc3ccccc3s2)c1O 105310756 CBENZINFYRULEV-UHFFFAOYSA-N 530.587 6.272 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 106735386 GZMFJOXGXANHAU-RMORIDSASA-N 571.970 5.650 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 150396351 IBTSDLRCJZHCSY-QZVQSRICSA-N 649.725 6.236 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150396654 LKCWYMLGKPOBIR-POKSHJSXSA-N 637.670 5.121 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)ccc5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1 150427162 JBQAPADICHJJBM-UDHMSBBDSA-N 680.580 6.577 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 205698621 VCYJWGFRGUSECJ-FSJBWODESA-N 638.323 7.878 5 40 KKBB CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC 215020060 OORHYVZFUKASHR-MFKUBSTISA-N 563.588 5.256 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3C3CCCCC3)cc2)cc1 224780463 NYSLWRMDGUCEIA-URLMMPGGSA-N 555.729 7.625 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225253468 IOJSYSBFFIZCJR-DHUJRADRSA-N 668.816 6.188 5 40 KKBB C/C(=C\c1cc(Br)cc(Br)c1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] 408536165 QBFDMPWKULTFEQ-VCABWLAWSA-N 512.110 5.376 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)c1 408570374 LETAZTHGZLKJFY-DEOSSOPVSA-N 529.449 6.880 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccccc1F 408574078 UOVSVNUSQYQIOQ-VWLOTQADSA-N 557.047 6.764 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408687819 VESPLSPQUHGQDB-UHFFFAOYSA-N 573.603 6.715 5 40 KKBB C[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 408719440 PFTLSNXUPTXSMX-PJEHFJQTSA-N 512.949 5.574 5 40 KKBB CN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 408815507 HWRKHQXELMMHFE-NVNXTCNLSA-N 528.178 5.365 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408837309 BWVYQYDPVLPPPQ-VZIOXZNFSA-N 617.989 5.471 5 40 KKBB COc1cc(C(=O)Oc2ccccc2/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)cc(OC)c1OC 408841926 HHLPIBPEKQEOSO-VCHYOVAHSA-N 594.985 6.052 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409042839 XXPGUTWZODJCRC-QEEORQGDSA-N 845.519 5.761 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 409104506 ZZIRSRIDLUVUSV-BUVRLJJBSA-N 533.562 5.248 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409144509 LKMXLVMABGAIEB-BIWBSIMWSA-N 649.198 5.223 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409197408 DUJHQNSMGDAVPT-FBHDLOMBSA-N 633.864 6.272 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409225916 SSRDUQIOGTXWNV-AFUMVMLFSA-N 597.443 6.254 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409240131 ROAGSUPEGITYPH-CIAFOILYSA-N 572.799 6.086 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccccc1Cl 409245510 UXFXSKBFKIGXGP-SRZZPIQSSA-N 554.924 5.624 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409273052 PHRVGZPEEZVYBA-SRZZPIQSSA-N 573.505 5.275 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409373936 IVOJNOIWJXZREW-CVKSISIWSA-N 575.643 6.173 5 40 KKBB CCCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C)c1-c1ccc(C2CCCCC2)cc1 2110715 KNRPMZKTRJQGIO-UHFFFAOYSA-N 506.624 7.499 5 40 KKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)c(C)nc32)cc1 2246036 QJOASYFHCFUXMY-UHFFFAOYSA-N 508.025 6.636 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(CNc2ccccc2Cl)n1-c1ccccc1 6280806 KVOQXDQCKXAXIY-KRWDZBQOSA-N 523.018 5.869 5 40 KKBB CCN(CC)[P@]1(=Nc2ccc([N+](=O)[O-])cc2)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1c1ccccc1 8399549 NVPCWZGJXRJMBI-ZNIIMWJUSA-N 528.597 7.745 5 40 KKBB COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 12623692 BROSDMGFADSKDU-CPNJWEJPSA-N 511.328 5.088 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1NC(=O)c1cc2ccccc2o1 32115548 DPBACUSQAKWXMQ-UHFFFAOYSA-N 508.943 5.682 5 40 KKBB COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 40717500 RXXCTHWLYLZAAX-UHFFFAOYSA-N 517.567 5.139 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 100167442 XZQUJNDZVQFEIW-UHFFFAOYSA-N 592.908 6.783 5 40 KKBB CCOC(=O)c1ccc(Nc2nc(/C=C/c3cccc([N+](=O)[O-])c3)cc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 100922990 BWYFEVASWQTYBT-UTLPMFLDSA-N 537.532 6.554 5 40 KKBB COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1 103106931 MWSYWTVXGILFCG-UUWRZZSWSA-N 564.641 7.690 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)c1 103547614 VRNRUJWSUQUVEG-BSYZOHBLSA-N 599.643 6.158 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 105314481 QEWTUNLVVBQNKH-UHFFFAOYSA-N 578.098 6.052 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215266262 QQBNYIADRVHTFI-QPJQQBGISA-N 555.908 5.914 5 40 KKBB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222659971 WLEBUPCPXVBUFY-KRWDZBQOSA-N 657.960 5.231 5 40 KKBB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224484949 WGIVFDJEXUOTME-RUZDIDTESA-N 607.516 5.040 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 224752660 UOYBPFYHNDGFDD-KYJUHHDHSA-N 564.623 7.228 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225319307 YHBGDAYLRZICGE-XIFFEERXSA-N 642.778 5.655 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 226692339 OHOHBRNZKSCGIR-AGSVCEGISA-N 602.646 6.784 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 248115430 AWALKTLCXQTGLT-FUABUCQOSA-N 571.589 5.585 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccco1)[C@@]21C(=O)Nc2ccccc21 248332144 IIGHFBBSFNYSHR-WPQKMFINSA-N 545.551 5.434 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260945838 SZXDEHSULCWFJO-PSXMRANNSA-N 698.842 6.196 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261098152 VKPHAQOMNVUKDL-BNHRFMORSA-N 697.641 6.652 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 408564762 AAMBTIXGPIBHNV-HSZRJFAPSA-N 589.899 6.689 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 408565461 BZPJKTPSMNSKCA-SANMLTNESA-N 539.057 6.544 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(Br)c2)n1-c1ccc(F)cc1 408566619 FTWBBFAWQJQBRG-HHHXNRCGSA-N 593.478 7.320 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1 408568691 IIQJLOBFUDGWOR-AREMUKBSSA-N 504.612 5.890 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)cc1 408571396 OPRWHARYHRVJTA-DEOSSOPVSA-N 539.455 6.336 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 408573016 SDTXFICPLKRWLS-QHCPKHFHSA-N 515.422 6.572 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408649439 YESGWLFOXJDYDD-WCQFOESSSA-N 778.643 7.727 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C2)c1 408654465 GTIFJOJTJUQMNE-LJQANCHMSA-N 561.591 5.228 5 40 KKBB Cc1ccc(NC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 408657835 NQJUXGSXHQWLET-CGHKXIPFSA-N 578.452 5.460 5 40 KKBB O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1cccc([N+](=O)[O-])c1 408658997 OPZGSIHXZLDZMD-WHLOOWMUSA-N 621.473 5.474 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408733636 NIAMQJCAGNCVLS-YRSDHNRQSA-N 684.941 7.187 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1 408757537 ZMDDIMNXFUYZBG-GBIJUZDQSA-N 612.063 5.757 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1C 408929655 MESGIKYAXWSMNJ-FSJBWODESA-N 586.453 6.772 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)cc1 409082358 IZBFDKDFOQIEJB-JLHDDXNDSA-N 606.660 5.359 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409131461 VVPJLBPAIPXSHD-ZMOGYAJESA-N 575.481 6.952 5 40 KKBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)n[nH]1 409172052 BGANEGPXXZCDGD-DEOSSOPVSA-N 560.661 5.762 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccc(C)cc1)c1ccccc1 409179157 QBVKMPBFNKJKJN-NDEPHWFRSA-N 584.968 6.147 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1Cl 409272366 GGYXXYRWCLHFBJ-RGVLZGJSSA-N 513.915 5.192 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n1C 409357032 IESKSHGQRHAWKE-FQEVSTJZSA-N 565.483 5.587 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(Cl)c([N+](=O)[O-])c2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409368717 JLCAXCDSYYPDRV-UHFFFAOYSA-N 515.957 6.237 5 40 KKBB Cc1ccc([C@H]2C3=C(O)C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)O)cc1 1310602 CZXAPBBBPMLVRH-JRPXNJEYSA-N 525.561 6.318 5 40 KKBB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 13098886 PNKVGVKZSIVNCK-JOCHJYFZSA-N 517.607 6.990 5 40 KKBB O=c1c2ccc3c4ccc5c(=O)n(-c6ccc(Cl)cc6)c(=O)c6ccc(c7ccc(c(=O)n1-c1ccc(Cl)cc1)c2c37)c4c56 100045389 ILYBWLBYEIZMCE-UHFFFAOYSA-N 611.440 7.248 5 40 KKBB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 100140599 VQMMOCKGMSVSFM-UHFFFAOYSA-N 563.532 7.162 5 40 KKBB O=C1c2c(ccc3cc4ccccc4cc23)N2C(=O)[C@H]3C(=O)c4c(ccc5cc6ccccc6cc45)N3C(=O)[C@@H]12 100368913 CMYSPKZQUACNKY-LOYHVIPDSA-N 518.528 5.809 5 40 KKBB CCOC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4C)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)sc2c1CCCC2 100799400 GAKOOUXIFVPRHC-SDHSZQHLSA-N 561.616 5.071 5 40 KKBB CCOc1cc(-c2nc3c4cc(I)ccc4c4ccc(I)cc4c3[nH]2)ccc1O 102441171 WHYHIKNDPDAZTR-UHFFFAOYSA-N 606.201 6.850 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)[C@H](C(=O)c1ccccc1-c1ccccc1)[C@H]1OC(=O)c2ccccc21 102971347 VIMRAHCTUDYZIT-WNJJXGMVSA-N 534.524 5.489 5 40 KKBB COc1cc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2cc(C)ccc2C)CCC4)c(C)cc1[N+](=O)[O-] 103070032 GTZQEZIPBAYRMH-UHFFFAOYSA-N 550.662 5.509 5 40 KKBB COc1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2)CC3)c(C)cc1[N+](=O)[O-] 103085093 XIUZBCSSVRBPOW-HMMYKYKNSA-N 523.545 5.742 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc(OC)c1 150395265 XALUKAMYPHGNLA-POKSHJSXSA-N 637.670 5.121 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccccc4Cl)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 150552893 CKAOQDKLSCTTBS-SELCLYCASA-N 641.149 5.980 5 40 KKBB O=c1/c(=C/c2cc([N+](=O)[O-])cc(Br)c2O)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163215698 BYUIOKMRXAPUFT-DKOMQPSQSA-N 639.325 5.458 5 40 KKBB Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224788980 NKBCIVXMVRWZPV-LOYHVIPDSA-N 608.701 7.585 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224917424 PCMGVWPIAMJNBP-NRFANRHFSA-N 726.079 6.934 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224962894 RBJWZMSVMMZKEJ-LJQANCHMSA-N 686.014 6.011 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 225692655 NGCAWLXAJAGXKB-KAYWLYCHSA-N 526.622 5.090 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc2ccccc12 225716378 VPKSAFPUYOCUMR-XZWHSSHBSA-N 563.639 6.404 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1C 408565970 DLFZIIICGZWLTI-RUZDIDTESA-N 598.479 6.552 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c1 408570579 LLJZVYOKJYHNJQ-DEOSSOPVSA-N 512.994 6.366 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408572492 RIFUBUCMJFENMI-XMMPIXPASA-N 570.027 6.143 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4ccc5ccccc5c4C3=C[C@@H](c3ccccc3)[C@@H]2C1=O 408733517 YVTDQJKTMGFJKJ-OUEGXDDWSA-N 530.536 5.578 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1cccc2ccccc12 408869851 UIXGAVYSNKIZJI-PRLWALMFSA-N 600.052 5.773 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(C(=O)OCC)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408942786 RNNXEIKZZLKAKP-DDIUQFJASA-N 764.651 6.012 5 40 KKBB COc1ccc(OC)c([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)c1 409111233 BAAUJSYNXCDYHD-GDLZYMKVSA-N 509.562 5.973 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409226694 RHNOPMPPRCPNLQ-AFUMVMLFSA-N 597.443 6.254 5 40 KKBB O=C1Oc2c(ccc3ccccc23)C2=C[C@H](c3ccc4c(c3)OCO4)[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]3[C@@H]12 409337205 YSUFMSKLONSPPO-DLMOMKDTSA-N 594.963 5.652 5 40 KKBB O=C(Oc1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 1882547 OLEOFAOFWGBFSR-UHFFFAOYSA-N 511.657 5.902 5 40 KKBB O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)OC[C@H]1[C@H](COC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1(Cl)Cl 3201503 BILUXFIFILGVIY-KBPBESRZSA-N 566.177 5.101 5 40 KKBB O=[N+]([O-])c1ccc(-c2csc(N3N=C(c4ccc(Br)cc4)C[C@]3(O)C(F)(F)F)n2)cc1 8711536 DHFNEAYYCWQICW-SFHVURJKSA-N 513.295 5.346 5 40 KKBB Cc1c(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cccc1[N+](=O)[O-] 8835466 UOKXGGRWQKFBHQ-UHFFFAOYSA-N 508.559 6.505 5 40 KKBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 14275324 VURUKMCANNFBER-UHFFFAOYSA-N 503.392 6.305 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 15231472 VIFKKLWURPLSEF-AREMUKBSSA-N 505.486 6.093 5 40 KKBB CCCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4cc(Br)c(O)c(OC)c4)[C@@H]3C2=O)cc1 101673357 DUUSPZHFETZJQF-GNKBHMEESA-N 612.433 5.302 5 40 KKBB C[C@H]1CC[C@@]2(OC1)O[C@H]1[C@H]3C=C[C@H]4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@@H]1[C@@H]2C 102812777 ULNDHEVVJSRKCY-VPAVDESBSA-N 509.643 6.317 5 40 KKBB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 103090113 JJVCONSOSQJRFW-QFIPXVFZSA-N 581.828 5.098 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105308087 ZCZLOOPAVNFBQH-UHFFFAOYSA-N 556.431 6.437 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 106702629 SMEQMMYUYVTJJF-CFRMEGHHSA-N 558.534 7.350 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 150394904 NWEDEECMNBODHI-JOHYPREOSA-N 633.726 6.536 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163640150 ZYMICKXRTTZUGT-RISWYLRJSA-N 722.525 6.533 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 214147777 ATBRNSDXESOCKX-FSJBWODESA-N 555.406 6.181 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223286242 KNRMJZBVRIJFFM-INIZCTEOSA-N 512.459 5.468 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223546589 HHBSGKILHPPXCI-FNZWTVRRSA-N 508.018 5.346 5 40 KKBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224617740 WTLBTWZWEPLMND-HHHXNRCGSA-N 549.693 5.391 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3C3CCCCC3)cc2)cc1 224780372 NYSLWRMDGUCEIA-VMPREFPWSA-N 555.729 7.625 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363992 ZFCOEBSSJMLXNJ-XYOKQWHBSA-N 509.370 8.004 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(F)cc1 408568238 HZFUFUDMDJMHGI-QHCPKHFHSA-N 533.412 6.711 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1ccc(Cl)cc1 408569862 JZJACNYSBDMRIX-HSZRJFAPSA-N 560.419 6.480 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)O)o2)c1 408632882 KWFAFUKJPAVXNF-MXAYSNPKSA-N 558.572 5.883 5 40 KKBB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408673685 XNDASLXLAIHGSI-OQRRONEISA-N 613.626 5.258 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408682841 KABXUMCZEJPXIE-HCXPYDJZSA-N 598.442 6.351 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408758058 UVGPALIYRQEEGI-PKYOQBLNSA-N 610.489 6.249 5 40 KKBB Cc1c(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408916748 GWCNCEOWXGXLPT-AFUMVMLFSA-N 528.546 6.051 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC 408933263 ADKYDILRFRMZKA-ILLSWNIOSA-N 820.456 5.670 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 408993404 DOTRSAOSRXOAKI-FWESEHMYSA-N 642.089 5.766 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CCOc1ccc(F)cc1 409053745 PCAYWBHKYMTQTI-UCQKPKSFSA-N 573.396 6.191 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc2ccccc12 409082932 UHVHQYXQKGSRMQ-XQNWCSQWSA-N 565.607 5.120 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N(CC)CC)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409098948 RNYLFWYHVOEJDY-CBPRFPNYSA-N 627.767 5.020 5 40 KKBB CCOc1cc(CNc2cccc(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409115957 KBCSABLYIXDLQM-UHFFFAOYSA-N 518.351 6.098 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409123883 FJTGCFSSQAXQOG-NRFANRHFSA-N 531.038 5.026 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cccc2ccccc12 409147539 XDPQBCYCHUDCJX-LCQSEVKBSA-N 600.052 5.773 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 409153474 IBBZAZYWAMHDMB-FSJBWODESA-N 603.531 6.098 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409171430 BFOSDORHAFTKGU-CIAFOILYSA-N 528.348 5.977 5 40 KKBB Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)cc1C 409174789 VDVWBIXQBATEOO-UHFFFAOYSA-N 522.513 6.162 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 409182597 MYXJBINJHFOIFL-KKLWWLSJSA-N 644.592 7.065 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1 409277017 YUJMEQQGJBBZER-FMCGGJTJSA-N 571.380 5.995 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 409336835 WKHMXINTAXMXII-ZJTZAHLKSA-N 650.496 6.533 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(I)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409349623 UJGXIHQZGKXWTN-KAEGSSFASA-N 718.573 5.623 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 1802551 QNDMGKZQGAMYBO-UHFFFAOYSA-N 554.356 7.831 5 40 KKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 2393472 KSOPKIMEJQWQMQ-UHFFFAOYSA-N 503.606 6.965 5 40 KKBB O=C(CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5)c1ccc(Br)cc1 2593301 QHQGXHZHOJYRGE-UHFFFAOYSA-N 572.513 6.780 5 40 KKBB CCc1ccc(C2=NN(c3ccccc3)[C@]3(SC(C(=O)c4ccccc4)=NN3c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 59092614 WVZWHAUCQAUVNI-PSXMRANNSA-N 609.711 7.990 5 40 KKBB COC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(C=CC(c3ccc(Cl)cc3)=NN2c2ccccc2)S1 97951885 UFWXEAXBHQRPNY-VWLOTQADSA-N 519.970 5.422 5 40 KKBB Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3cc(C(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1 97983132 AVSLOOWDONEKLE-USYZEHPZSA-N 656.826 10.421 5 40 KKBB CCOc1ccc(NC(=O)c2cc(Oc3c(F)c(F)c(F)c(F)c3F)cc(C(=O)Nc3ccc(OCC)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 97984244 UPLVJLWYVYNXKM-UHFFFAOYSA-N 676.507 7.293 5 40 KKBB COc1ccc(-c2cc(-c3ccc(C)cc3)c3c(N)c(C(=O)Nc4ccc(OC)cc4[N+](=O)[O-])sc3n2)cc1 98048704 VHNRXWPRLWQKLX-UHFFFAOYSA-N 540.601 6.699 5 40 KKBB O=[N+]([O-])c1ccc(C2=NN(c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)[C@@H](c3ccccc3Cl)C2)cc1 100814415 KHULGWGRJNHAMB-HHHXNRCGSA-N 540.410 7.868 5 40 KKBB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 104195130 FIDAJOKZORRRTG-ZAJBXJAYSA-N 609.642 8.155 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c2=O)=N1 104676577 AOHNQBPGQGSCTD-USDTVRPUSA-N 620.127 6.524 5 40 KKBB O=C(NC(=S)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307982 YOFXMZJZBUZPJI-UHFFFAOYSA-N 524.002 5.228 5 40 KKBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccc(I)cc1 106738086 IZKHKDOYHOUGHV-NVNXTCNLSA-N 500.701 5.089 5 40 KKBB CCOC(=O)[C@@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])c(C)c2c1Nc1c(c(C)c3oc(=O)c(C)nc3c1C(=O)N[C@H](CC(C)C)C(=O)OCC)O2 150382658 XOGADTAGGCEDNQ-FGZHOGPDSA-N 709.753 5.286 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1c1cccc(Cl)c1 150385003 XRVXJHRNSZFFRY-UFWORHAWSA-N 678.664 8.825 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 164545573 HBJWAORCUKBARL-DGVSTJFLSA-N 758.856 7.977 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223203083 NIYGNSVAJIAUSP-SANMLTNESA-N 659.205 5.791 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224807356 CIEACARCRYPRSO-XIFFEERXSA-N 707.249 6.234 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225254850 QGPOTRAOJVFNDM-VQTJNVASSA-N 621.543 5.429 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 226692326 OHOHBRNZKSCGIR-VVHYXOSJSA-N 602.646 6.784 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260986213 BVXRMNCQAKEIRX-CVYDZTKKSA-N 686.831 5.970 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(Br)cc1 408686939 SSNFWRJTKBXMJC-UHFFFAOYSA-N 646.064 6.507 5 40 KKBB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)c1cccc(Cl)c1Cl 408712370 RQSSLCFEIADBSK-UHFFFAOYSA-N 528.801 5.774 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733041 DNULZHHDKLORSF-ORVZPOCUSA-N 592.073 5.743 5 40 KKBB CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408840165 BQMRBXODCSBNOU-XDHOZWIPSA-N 548.960 6.425 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 408881881 OBBRTBUEJADUCX-FMCGGJTJSA-N 587.532 5.876 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 408953410 WESIWDYBEVRMDK-IYVASWNSSA-N 652.523 5.435 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1 409103741 BRODAKNSSHKFIK-ITNPZBTBSA-N 647.153 5.253 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 409188531 CRNSVORRVVJBHV-QQMBNGEASA-N 761.282 6.195 5 40 KKBB CC[C@H]1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)c([N+](=O)[O-])c4)n(-c4ccccc4)c(=O)c23)C1 2186686 CJBUTLGUMUTOCO-HNNXBMFYSA-N 538.626 5.740 5 40 KKBB Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)OCC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2c1 2348302 CRPDTYOUWJQYMF-UHFFFAOYSA-N 539.769 6.574 5 40 KKBB C[C@H](/N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1)c1ccccc1 8652604 VFKUFQIZGDLVQP-YBHFLXKMSA-N 535.478 8.843 5 40 KKBB C[C@H]1CCCN(CCNc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1 9013183 SSYMYANOWROWJI-IBGZPJMESA-N 509.650 6.382 5 40 KKBB CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCn2nc(C)c([N+](=O)[O-])c2C)cc1 97948722 ORDYVULANLLFIU-XMMPIXPASA-N 599.113 5.272 5 40 KKBB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CCC2)Nc1cc([N+](=O)[O-])ccc1Cl 97979797 GYIYEVWDVSUTTB-PDGQHHTCSA-N 571.973 6.198 5 40 KKBB COc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]3c2ccc(OC)cc2)cc1 97979959 CDKATGCAQCFDAJ-OOTBNKNQSA-N 590.032 6.245 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc([N+](=O)[O-])cc1Cl 100297896 SVUNWHDECYPARM-UHFFFAOYSA-N 537.384 6.990 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Cl)c1OCc1ccccc1 100340360 OBQTUZMERTUGEI-OEAKJJBVSA-N 524.982 6.462 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 101058258 AKMMUQCPYUGEIO-UHFFFAOYSA-N 547.372 6.195 5 40 KKBB Cc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 105304622 JIWRFGOHTJXBLX-UHFFFAOYSA-N 532.969 5.677 5 40 KKBB CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@H]13 105368952 BHKWBTATPFLOTL-UXSNYSLHSA-N 520.626 5.610 5 40 KKBB biogenic O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106726792 IXPSAGKVBCVJDW-MTJSOVHGSA-N 527.967 6.544 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC(=O)c1ccc(C)cc1 106745710 NAARRZVOKHCFAE-XKZIYDEJSA-N 583.416 6.130 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107575379 ABWYZHJEZRPVSP-UHFFFAOYSA-N 610.523 6.611 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 214223097 ODSLYLRFEVHFGH-ZVHZXABRSA-N 508.527 5.948 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222595519 PCNLXXHGEYMALA-YTTGMZPUSA-N 663.196 5.856 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223806473 KADUPTNJJXJHPP-ZOYWYXQUSA-N 707.647 6.107 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)o1 224284026 DKPZDCDIBCDEIQ-CLJLJLNGSA-N 500.580 6.052 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224327413 YCQHOOBQGYVUEP-QHCPKHFHSA-N 504.052 5.348 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224825636 ABJSAFVSESFUSQ-NDEPHWFRSA-N 679.623 5.994 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225537694 JELOQWXVRHRSEX-SANMLTNESA-N 598.494 5.301 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225639432 GSGUYSGXNQOMSO-XIFFEERXSA-N 658.777 5.355 5 40 KKBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(c4ccc(C)cc4)c4ccc(C)cc4)[C@H]3C2=O)cc1[N+](=O)[O-] 227545359 VEBJMRRYIKGUKW-PPSLNNBKSA-N 534.568 5.560 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc(Cl)cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 229906487 UTSKPBSVUGXZSY-DCMQHHMNSA-N 590.035 6.494 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260992339 QDZYLVYBNSEIMS-RTWAWAEBSA-N 649.141 5.232 5 40 KKBB COc1cc(CNc2ccc(Br)c(Cl)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408559274 UUQXKFBBUHFCAI-UHFFFAOYSA-N 566.157 8.096 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 408564894 AROVBBVAZRYRAO-RUZDIDTESA-N 617.497 6.574 5 40 KKBB Cc1c(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] 408585105 ACOASYABPLZWMA-UHFFFAOYSA-N 522.410 5.082 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408648124 JQGXCQIRBHKFNN-MFTWVQLTSA-N 718.549 7.826 5 40 KKBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 408651660 NRYFBKULQWQKJK-YSLVQDFJSA-N 608.434 6.131 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408727253 DTJFQUSXEDQMEX-KXANFNGZSA-N 750.432 8.853 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408804320 XNOPJLUPJNMROM-KMCFWPMWSA-N 670.118 6.215 5 40 KKBB Cc1c(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408804681 GMXTYUCJWAHBFD-UWAFIMPKSA-N 565.719 7.960 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1 408916333 CCBSPEISRVDFMI-OEAKJJBVSA-N 569.433 6.572 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409064843 FUNPNDNAEYVPEW-WSDLNYQXSA-N 570.371 5.567 5 40 KKBB CC1(C)OC(=O)C([C@H](c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c2c[nH]c3ccccc23)C(=O)O1 409113045 HTCXZHBLDHWBEM-XMMPIXPASA-N 579.403 6.002 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 409177851 IDTWOJAJHUSIAZ-SANMLTNESA-N 514.515 6.435 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 409211412 NSBNZCHLSVCMKM-KEBDBYFISA-N 624.694 7.593 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)c1ccc([N+](=O)[O-])cc1 409271930 FGPKWZNORCXGFT-SSDVNMTOSA-N 573.461 6.233 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(F)cc1 409276152 OGCDVAIQPMNCMS-CYGYJLBOSA-N 626.710 5.219 5 40 KKBB CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1 2194395 XTACNEDUYWITPI-RUZDIDTESA-N 530.533 5.615 5 40 KKBB O=C(OC(c1ccc(NS(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 3167411 ROOSNJQOSMYWIQ-UHFFFAOYSA-N 582.862 6.226 5 40 KKBB O=[N+]([O-])c1ccccc1SNc1ccc(S(=O)(=O)c2ccc(NSc3ccccc3[N+](=O)[O-])cc2)cc1 3173411 UGQQBIDHNWTMGB-UHFFFAOYSA-N 554.631 6.574 5 40 KKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc([N+](=O)[O-])c1 8440870 GDZGALNTCDZPRK-UHFFFAOYSA-N 520.241 5.223 5 40 KKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4ccc([N+](=O)[O-])cc4)CCC[C@H]3[C@H]2c2ccc([N+](=O)[O-])cc2)n1 8455428 IDZVZPIAZPZAGG-YORRSOOJSA-N 545.512 5.064 5 40 KKBB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 9614460 WCIUZSQTHOOKBO-HSZRJFAPSA-N 515.747 5.018 5 40 KKBB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 19927870 HUJCTORWECHHRD-UHFFFAOYSA-N 503.165 5.180 5 40 KKBB Cc1ccc(-c2nn3c4ccc(NC(=O)CSc5nc6ccccc6s5)cc4nc3c3ccccc23)cc1 50861495 QMRAQTDEDVZJIL-UHFFFAOYSA-N 531.666 7.352 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 59891549 ICTROADVKCVWBD-UHFFFAOYSA-N 545.661 5.897 5 40 KKBB C[C@H]1N(C)c2cc(NC(=O)c3ccc(F)cc3)c([P@@](=O)(Nc3ccc([N+](=O)[O-])cc3Br)N3CCOCC3)cc2C1(C)C 97984798 BMTFUVKAGQZJFL-MWSBUNCTSA-N 660.481 6.127 5 40 KKBB COc1cc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc(Cl)cc2[N+](=O)[O-])ccc1O 100026114 APZHUERWPCATNU-YCRREMRBSA-N 575.746 5.437 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC 100185873 KLYMVVZVIGMDOK-PQRKSKNISA-N 534.637 5.113 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(I)cc4)C3=O)cc2[N+](=O)[O-])cc1 100368905 HVPPIEDMXKBDRZ-XKZIYDEJSA-N 588.448 6.896 5 40 KKBB Cc1ccc(-c2nn(-c3cc(N4CCN(C(=O)c5cccs5)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1 100370702 MDJPDSBHRHOTCZ-UHFFFAOYSA-N 551.628 5.293 5 40 KKBB Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1C 102437454 RAMNENWDRCLFMB-SSEXGKCCSA-N 553.626 7.501 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 103557694 SUUWPAJIUSSOMG-KCIBBDPESA-N 576.008 6.104 5 40 KKBB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 105306342 FKYNHJJUFVBNCS-UHFFFAOYSA-N 566.039 5.637 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 106739085 UFWXPUUSYULKJI-QRVIBDJDSA-N 587.423 6.711 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 147938864 AOENUWJJXHLKDK-QGZVFWFLSA-N 565.681 5.168 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 150454883 KCQXYCBKGSSDBT-DTXPUJKBSA-N 629.647 5.202 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 161917998 OFCCNDCOVYTDFW-UHFFFAOYSA-N 663.881 5.624 5 40 KKBB C[C@H]1C[C@@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O 163941394 JYVXLXLGVVOETR-WTYVLRPYSA-N 665.127 7.272 5 40 KKBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 197823946 ABFZKAVEWJKOSC-UHFFFAOYSA-N 669.059 5.902 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 215018706 ALJBWSNGQSDQBF-ZMOGYAJESA-N 568.007 5.901 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 223778991 MFIOJUALBKJLBQ-JWQCQUIFSA-N 502.552 5.444 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 225640034 XGPDMGUNLKPOGQ-WUFINQPMSA-N 541.633 5.868 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 408567669 QYOQRSDLTHICLL-ACUUJPJHSA-N 577.262 5.903 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 408570669 LUZIEFWCAJWYHY-SANMLTNESA-N 599.507 6.435 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccccc1 408685212 PAKUPWHELDFOQN-UHFFFAOYSA-N 744.972 6.181 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccccc1 408689725 YXHJXSWSEFIXKO-UHFFFAOYSA-N 567.168 5.745 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]32)cc1 408731345 JYKCRWPKMWXGRK-JYVYKJRCSA-N 544.947 5.087 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@H]32)cc1 408733288 WZPCREGRXILSDE-HPEBZSCQSA-N 576.561 5.287 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408939945 NQNYZIHBTBVLBP-SZYVSPPHSA-N 771.484 6.598 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409030929 FRZAYDRWMGIXLZ-XSTKMXAKSA-N 848.510 6.448 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409104013 IDBSCKNOODLDFA-GVMLUORFSA-N 611.507 5.579 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409170430 VQRFUSDHBHVYLK-ZMOGYAJESA-N 568.007 5.901 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1 409179454 OCUOZKZHTQYPNY-UHFFFAOYSA-N 529.548 7.642 5 40 KKBB COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 409195071 SUVFMKIIBPXLSH-HDGMWEBWSA-N 504.882 5.220 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1Cc1ccc(Cl)cc1 409239358 MZECFLGPUAKUEE-WSDLNYQXSA-N 606.825 6.668 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc3ccccc3c2)C1=O)c1ccc([N+](=O)[O-])cc1 409269811 FBRZKMHNISBMTK-YUMHPJSZSA-N 524.554 6.246 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409276021 NWRPJAOESLGDTQ-UUYOSTAYSA-N 541.925 6.588 5 40 KKBB COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccccc2)cc1 3322013 MRNSAXIYFHLRFQ-LJAQVGFWSA-N 555.598 6.893 5 40 KKBB COc1ccc(CCn2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N\c2cccc(C(F)(F)F)c2)cc1OC 3668164 BUZMLVDHHVKSJU-JVCXMKTPSA-N 529.540 6.636 5 40 KKBB COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)c1 70708443 ZRJIYMDAZVLMJE-MRXNPFEDSA-N 553.571 5.032 5 40 KKBB biogenic COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 105311189 NLKBRAPWRNYFNY-UHFFFAOYSA-N 568.041 5.018 5 40 KKBB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3Cl)oc2c1 112239812 RZNGKWQYJRDWSB-UHFFFAOYSA-N 552.012 5.328 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 150396283 ABZWGEZKUXKDEW-QZVQSRICSA-N 633.726 6.536 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)o1 224687706 BUVCVSMGJBHIIP-JSOSNVBQSA-N 578.650 7.536 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 225692694 FCHRRTDLRMNHOI-SVBPBHIXSA-N 526.622 5.090 5 40 KKBB CC1=C(/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1 254341007 OENHQHLEOONYIE-KPGXOHEOSA-N 536.888 12.606 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261031594 XJJBTPFEJLOATK-HRFSGMKKSA-N 635.570 5.819 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(OC)c2)cc1 408565002 AYGIVLBZTVPVAX-AREMUKBSSA-N 538.601 5.811 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408567749 REOKDBYHPCJROB-JRWZBITLSA-N 607.288 5.865 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)S2)cc1 408785336 YMORRBWCVMYUHD-AOLPSBPOSA-N 574.884 6.752 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 408848419 UQXSBYLOMYSPND-MDYVMDJYSA-N 676.751 5.768 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1cccc(Cl)c1 409161263 ZYVNSCTUHHKHJM-UFFVCSGVSA-N 577.924 6.734 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 409181084 VSHAASJPODPVME-SANMLTNESA-N 575.360 6.483 5 40 KKBB Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1C 409184518 YSCNKBRAECTUHN-NDEPHWFRSA-N 529.570 5.825 5 40 KKBB Cc1c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409187642 AHMATOILQWLUQK-ZVHZXABRSA-N 503.967 6.801 5 40 KKBB COc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409190947 CHHDSGRIAMWDMM-ZUXDRYNTSA-N 504.882 5.220 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409206379 IXRXIERNMZQJRT-OEAKJJBVSA-N 544.507 6.694 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1Cl 409274225 CCVYYOGIZYCLQU-BNCCVWRVSA-N 516.746 5.239 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1C 409274520 OWPMYVVHKITBLF-OYKKKHCWSA-N 517.563 5.466 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409362308 UURRPYPECQKIOM-FHQMNNMHSA-N 727.033 6.409 5 40 KKBB Clc1ccc2c(c1)[C@H](Nc1cc3c4ccccc4ccc3c3ccccc13)c1cc(Cl)cc(Cl)c1-2 1722529 RGEXGINTPUOQGU-HKBQPEDESA-N 510.851 10.288 5 40 KKBB CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 2094657 NYYVEFIOGFAQSB-DEOSSOPVSA-N 503.551 5.654 5 40 KKBB biogenic O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 8430107 KXNWNCZSVHLKJI-UHFFFAOYSA-N 638.400 7.619 5 40 KKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 8898683 WLFFDGKLDCMFDN-FNORWQNLSA-N 506.773 6.177 5 40 KKBB COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)c1cc([N+](=O)[O-])ccc1Cl)CC2 9391264 UWCPWAJUOHCTMS-JOCHJYFZSA-N 500.910 5.223 5 40 KKBB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 33764894 WWDNHBZCYPEPSQ-HVXQOBHKSA-N 516.937 5.931 5 40 KKBB CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@]2(C=CC(c3ccc(CC)cc3)=NN2c2ccccc2)S1 97951133 AOGVUHMMTPUBGQ-MUUNZHRXSA-N 527.606 5.722 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 98002674 CFTOMMPTUIMHKF-UHFFFAOYSA-N 533.418 6.494 5 40 KKBB O=C1C2=CCc3c4c5c6c(ccc5c5ccc(c2c35)C(=O)N1CCc1ccccc1)C(=O)N(CCc1ccccc1)C(=O)[C@@H]6C=C4 100053434 XBRCPAMBVIZHBB-SSEXGKCCSA-N 600.674 6.493 5 40 KKBB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1cc2cc([N+](=O)[O-])ccc2s1 100815868 IIHDRISMURYKCH-UHFFFAOYSA-N 515.772 6.709 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@H]1C(c1cc([N+](=O)[O-])ccc1O)[C@@H]1C(=O)N(c2ccc(C)cc2)N=C1C 100922635 YJYOGLFWUVHCQS-CLJLJLNGSA-N 525.565 5.079 5 40 KKBB COc1cc2nc(SCc3ccc(C(C)(C)C)cc3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 101307862 ZADFNTQYVHGMBW-UHFFFAOYSA-N 529.622 6.460 5 40 KKBB Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)oc2ccc(Br)cc12 101870137 NQTXPDRDBWSOTB-SNVBAGLBSA-N 515.238 5.615 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 102370359 NNMUSNAJXQOONC-XWSGIVAFSA-N 599.643 6.364 5 40 KKBB COC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@H]1[C@@H]1[C@@H]2[C@@H]2[C@@H]1[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)c2c1c1ccccc1c1ccccc21 104129388 QFDRLWYVFISIPE-OZIRTYLUSA-N 628.724 7.098 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 104708718 WRQFVMNVNFDPKG-UHFFFAOYSA-N 598.530 5.464 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105313422 GFKBBXKZLBAOCT-UHFFFAOYSA-N 577.666 7.187 5 40 KKBB CN(C)c1ccc(-c2c3nc(c(-c4ccc(N(C)C)cc4)c4ccc([nH]4)c(-c4ccc(N(C)C)cc4)c4nc(c(-c5ccc(N(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1 150441956 ONCMAEBURQZDQU-UHFFFAOYSA-N 787.028 11.588 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163211427 LKOXSMOASZFJET-MIUGUJGPSA-N 644.934 6.903 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222648131 UMJAWVGUCOAVQW-UMSFTDKQSA-N 707.249 6.173 5 40 KKBB COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224782698 FVAJKRQXIZNLAA-XZWHSSHBSA-N 579.707 7.117 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 225258899 SPCTWNBBCKLNHA-FTJBHMTQSA-N 564.023 5.665 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225443602 GLDBQFBPDZVZEV-UMSFTDKQSA-N 733.685 6.642 5 40 KKBB CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)\C=C\C=C(C)\C=C/C1=C(C)CCCC1(C)C 255195099 ANVAOWXLWRTKGA-GIJPNFHLSA-N 536.888 12.462 5 40 KKBB CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408563526 AVSNPSNAEHNNAN-HGMMTPDKSA-N 577.262 5.857 5 40 KKBB Cc1c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] 408585616 GLISNQZELZOWCT-UHFFFAOYSA-N 508.383 5.040 5 40 KKBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)cc1[N+](=O)[O-] 408672795 WZCIRHCVZILHIN-UHFFFAOYSA-N 560.390 6.293 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4c(ccc5ccccc45)C3=C[C@H](c3ccccc3)[C@H]2C1=O 408732057 ORUVRULLMUKRTM-MUUFRUSVSA-N 530.536 5.578 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408874264 ATAHYCDEVYLNBS-UUYOSTAYSA-N 589.851 6.835 5 40 KKBB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408901786 CEUSJNVMMPVDBV-FMCGGJTJSA-N 552.406 5.105 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409131067 LQHFLGDWUHMSNN-LFVJCYFKSA-N 539.009 6.505 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1 409167745 JMYZEHROWKRUAV-LJQANCHMSA-N 537.429 5.186 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 409183489 TYSWRCZZSQAZPU-AREMUKBSSA-N 575.360 6.483 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409191763 MPUIAUHILVAQEX-LPYMAVHISA-N 545.400 7.120 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1[N+](=O)[O-] 8835188 QFPSMZXCLIMRAD-UHFFFAOYSA-N 506.540 5.251 5 40 KKBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCc3cc(F)cc4c3O[C@H](c3ccccc3)OC4)cc2[N+](=O)[O-])C1 12546870 FYYVHDDLHRDNTP-VAVDGXSSSA-N 520.557 6.181 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(CSc2ccccc2)cc1 59883978 UZMOZBOYJOHXMQ-UHFFFAOYSA-N 533.631 5.721 5 40 KKBB COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC[C@H]4[C@@H]5CC=C6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@@]41C)[N+](C)(C)CC3)OCO2 70672476 ZZXJOMSIUOUAHV-BGPJOFBZSA-N 550.760 5.997 5 40 KKBB biogenic COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 101341712 AYDZPIGZVFYDLX-QRVIBDJDSA-N 521.507 5.327 5 40 KKBB CCOc1ccc(CNc2nc(NCc3ccc(OCC)cc3)n(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 101700549 PTLOLDGTMSCSJY-SFQUDFHCSA-N 542.596 5.562 5 40 KKBB COc1ccc(CCn2c(-c3cccs3)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1OC 102581390 PNJSTDKEKIYHMU-UHFFFAOYSA-N 539.407 5.254 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c2=O)=N1 104676939 FCQOLVGANTTWLF-UTAOYMJKSA-N 625.747 6.189 5 40 KKBB O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305994 POYWNECLMJSKRB-UHFFFAOYSA-N 538.029 5.618 5 40 KKBB O=C(NC(=S)Nc1ccc(Br)cc1I)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107916307 UAJCGZIDQBWGTD-UHFFFAOYSA-N 572.178 5.349 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 150395270 VLWHNFWIJGYTOG-KMCFWPMWSA-N 635.698 5.729 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(SC)cc1 150396610 HZYVGWLNGJBTNY-OINPTKSXSA-N 658.157 6.479 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222591672 QXAFQTAGPQEHSH-YIXXDRMTSA-N 659.205 5.525 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224623055 IAUWCULLUMTVEM-MUUNZHRXSA-N 671.216 5.669 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224710073 DWQCRCDMQUBHEO-MHZLTWQESA-N 601.125 5.023 5 40 KKBB COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225516888 DOGCUSDDYXPJAZ-MUUNZHRXSA-N 614.526 6.378 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408564752 FTOJUAKUKNNPND-BBFXTFFKSA-N 598.881 5.745 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1F 408571129 NSGXMMCRGNGVFB-SANMLTNESA-N 522.602 6.111 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1 408574032 UKXUSOXHDFVBQY-WJOKGBTCSA-N 584.698 7.215 5 40 KKBB CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)cc2)cc1 408641955 DMGBPOOKKGLFKJ-DEOSSOPVSA-N 578.621 6.492 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 408731185 LASFUMOEHGOUTR-BNUCFEHPSA-N 721.788 5.991 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408829777 XKSTXWNQJHWYTI-NULZLWRNSA-N 739.588 5.597 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408831908 WCOQPANAEWTGGR-CTHKJOMYSA-N 655.660 5.260 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(Oc3ccccc3)cc2)N1Cc1ccccc1 409134739 XLCUWBPIHGKKHC-XIFFEERXSA-N 541.607 7.749 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1CC1CCCCC1 409137004 ZKHHQGOTENNGOI-LPYMAVHISA-N 578.428 6.395 5 40 KKBB COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 409179174 QEPSTSZKOBANJD-UHFFFAOYSA-N 563.733 5.404 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409210931 LSGDATQGUDNRCU-SSDVNMTOSA-N 613.396 5.006 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)c1C 409272446 GTMIIVLPRUPXRI-QRVIBDJDSA-N 554.049 6.691 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409273199 IZIOSJVTQITRBS-RMNLPTLGSA-N 593.709 5.018 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc5ccccc45)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409360103 OZORDOMBFIRBHE-GEYGMGCISA-N 789.648 6.750 5 40 KKBB O=C(COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 2068069 QIQJFIYFVPKXTC-UHFFFAOYSA-N 525.473 5.462 5 40 KKBB COc1cc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc(I)c1OCc1ccccc1 2081795 ULSAMKAWNWAAQW-RGVLZGJSSA-N 570.339 5.440 5 40 KKBB Cc1ccc(C(=O)c2cccc(N3C(=O)c4ccc(C(=O)c5cccc([N+](=O)[O-])c5)cc4C3=O)c2)cc1C 3143019 QGPXEFRFORYUSC-UHFFFAOYSA-N 504.498 5.474 5 40 KKBB COc1ccc(-n2c(CNc3ccccc3Cl)nnc2S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 6280803 JQPKSGBOOXKWPU-KRWDZBQOSA-N 553.044 5.877 5 40 KKBB O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@@H]12 9313378 NMHDINZUWSXCHF-KJHMZRPRSA-N 500.554 6.345 5 40 KKBB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)CC2)cc1 12855210 VWPBFMXSIAQTEI-UHFFFAOYSA-N 527.625 5.108 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 59331632 ZEZDOMUWBVDFQY-UHFFFAOYSA-N 523.018 5.760 5 40 KKBB CC(C)(C)[C@H]1CCc2c(sc3nc(SCC(=O)Nc4ccccc4[N+](=O)[O-])n(-c4ccccc4)c(=O)c23)C1 100284245 UMGIJBADTVVQPS-KRWDZBQOSA-N 548.690 6.237 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccccc1C(F)(F)F 101176847 PJKNYGNZONZLJF-GIBOGKFOSA-N 538.526 5.091 5 40 KKBB Cc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)c1 102749041 KEIOUNZRSOINTR-OZNIXHKMSA-N 549.539 5.174 5 40 KKBB CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 103046461 MPSSDXFSDGTJLS-UHFFFAOYSA-N 621.804 6.183 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1 105303172 WZAMBRGEJYGFOV-JXMROGBWSA-N 618.946 7.182 5 40 KKBB CO[C@H]1/C=C\C=C(\C)C(=O)Nc2cc3nc4cc(Br)ccc4oc-3c(c2=O)C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@@H](C)/C=C(/C)[C@H]1OC(N)=O 150387607 GBAQGGXRNHNHMV-RHUZBNNXSA-N 698.611 5.516 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222839013 KVHDBOONLOZUSW-YTTGMZPUSA-N 707.647 5.965 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223896740 NJNFDZHJICAMSF-AFMDSPMNSA-N 588.488 5.844 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1Br 224946592 LZDZFPGZPIRBQN-ZEQRLZLVSA-N 535.423 6.498 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl 224967712 GXVBNHROKUKZJR-BJKOFHAPSA-N 505.987 5.620 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 225090305 MTDQYZQZXIJFKP-CONSDPRKSA-N 591.649 6.444 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc4ccccc34)c(Br)c1)[C@H]1CCCN12 408568441 ULMQALLGCCRQCF-PLPKJQRDSA-N 584.470 6.236 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 408570987 MNYSHABRVFKGKA-VWLOTQADSA-N 638.371 7.733 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1ccc(Cl)cc1 408571575 PCEXHCFBGJEQNF-QHCPKHFHSA-N 584.312 7.878 5 40 KKBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccc(Cl)cc3Cl)sc2c1 408750599 PESZUIQSAQSYNX-UHFFFAOYSA-N 516.387 6.604 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408823440 DHBNDJXVVSTWNN-ZJTZAHLKSA-N 760.006 5.942 5 40 KKBB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 408919221 UZKRASNYYGYUDN-CAZKKTPXSA-N 509.743 5.104 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408943654 UIYOLPWVGDGSHR-CBYYHRJHSA-N 644.544 5.043 5 40 KKBB Cc1sc2nc(-c3ccc(Sc4nc5ccc(N6C(=O)[C@@H]7CCCC[C@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)nc(O)c2c1C 408993536 VZTKFMCNZFYANU-QZTJIDSGSA-N 617.734 7.029 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 408999404 KURHJCCVSUPQJQ-SUAMDDGLSA-N 713.404 5.811 5 40 KKBB CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)N(CC(=O)OC)C2=S)cc1 409061466 XMMYYAQRUOGXGW-OYKKKHCWSA-N 689.382 6.409 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 409121915 VWJRGTXTWNMODZ-UHFFFAOYSA-N 513.881 5.101 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc45)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409141397 NRQSGIWQJXQTTQ-DBHVVYFFSA-N 698.595 6.510 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 409182747 NNCRDBUFEMPYCP-GDLZYMKVSA-N 503.514 6.229 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409228623 BSTIRDFDEISLCF-LICLKQGHSA-N 511.781 6.036 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n21 409270540 HDZROWBZXDRQTN-ZJTZAHLKSA-N 669.598 5.102 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409276379 QIPJUWFREXAOCB-WSDLNYQXSA-N 587.532 5.665 5 40 KKBB C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)N3c4ccccc4Sc4ccccc43)cc2[N+](=O)[O-])C1 6298915 HBSJCHRYYQZXGZ-GOSISDBHSA-N 503.580 5.817 5 40 KKBB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 8898396 PLSSJBRZIQOWPI-UHFFFAOYSA-N 502.040 5.212 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12 97986487 LUSMRWDKBMKBFI-UHFFFAOYSA-N 556.980 5.824 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc5c(c3)OCO5)N4)cc([N+](=O)[O-])c2)cc1 97999849 HUUKEYFCAKUFAJ-BKMJKUGQSA-N 611.533 6.624 5 40 KKBB CCSc1c(-c2ccccc2)nc2cc3nc(-c4ccccc4)c(SCC)c(C(=O)O)c3cc2c1C(=O)O 100954298 MFKPOKSHXDNYOX-UHFFFAOYSA-N 540.666 7.737 5 40 KKBB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccc(Cl)cc1 102646510 SBJYTCGSPSXMOJ-GDJIYFAZSA-N 501.970 7.208 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)[C@@H]3c2ccc(OCC)cc2)cc1 102928604 OMOKKGZHHSVWMZ-XRQYFHGVSA-N 610.711 6.666 5 40 KKBB COc1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 103136104 DZMUZUFSSGVQHT-UHFFFAOYSA-N 539.755 5.938 5 40 KKBB O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 103892743 ROPLHXXKKIHDLX-UHFFFAOYSA-N 583.720 7.567 5 40 KKBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)CC2)cc1 105354405 CACAFCPZIOHAJN-BMRADRMJSA-N 552.587 5.478 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccc(C)cc1 106729384 RDBOFVVWDQCKOC-QRVIBDJDSA-N 616.433 6.332 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n31)c1ccccc1CC2 163200979 ZOJYUJBFCGXDRJ-PSANAXBTSA-N 712.831 8.360 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 214188489 UMBWFVDRJZQFNS-ZVHZXABRSA-N 524.982 6.462 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 215244549 TUJSBDKMKSJQEV-PGGKNCGUSA-N 554.964 5.801 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223171812 VIQFTCXJQLNCQQ-NHCUHLMSSA-N 710.047 5.855 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225508351 RFZYFKBCOREDGD-BHVANESWSA-N 767.732 7.503 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)C 260859959 HKJKULNFPLQBOO-JGCGQSQUSA-N 628.751 5.263 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 260904323 IOJSYSBFFIZCJR-PGUFJCEWSA-N 668.816 6.188 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260913046 YGDREPNTUDHUAQ-JGCGQSQUSA-N 693.222 5.925 5 40 KKBB CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408570088 YPZGQUQWXDXXLP-MQVPCNEGSA-N 577.262 5.857 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 408576728 YFBWPTQAZJOAIN-VWLOTQADSA-N 543.020 6.456 5 40 KKBB CCCC[C@H](C(=O)OCC(=O)Nc1cc(OC)ccc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408691264 ZCQSYTXYBNSVTB-CYBMUJFWSA-N 607.230 5.554 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12 408720301 KZDQCOHLCFMGTN-MPCVTRCCSA-N 520.585 6.009 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729322 DPJDNTGZSNTUCG-AWPXEQHHSA-N 720.587 6.861 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408767331 FSOFZHMLVKCIGJ-HWMKKPCCSA-N 850.482 5.678 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408833158 VWJOMQCMIAZSDW-YMSBRDKKSA-N 658.010 5.122 5 40 KKBB O=c1n(Cc2ccc(Cl)c(Cl)c2)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n1Cc1ccc(Cl)c(Cl)c1 408976464 RBSQVWCPPPALNB-UHFFFAOYSA-N 542.162 6.330 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409007795 RPUONNWUZAHMME-HAHDFKILSA-N 524.982 6.115 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409096048 FHSCROCUXCYEAR-SRZZPIQSSA-N 528.348 5.977 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409112629 FIPZLBPYBDBXKZ-UHFFFAOYSA-N 524.382 5.053 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1cccc(Br)c1 409161426 XBBXXKLHFSVFCA-UFFVCSGVSA-N 658.246 8.167 5 40 KKBB Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409182229 JJCKLVOLOUYJPU-MHZLTWQESA-N 565.494 5.393 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 409182440 KWFZZJGWTYEUBB-SANMLTNESA-N 540.915 5.830 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 2186318 NJIYOIZMWBAETB-WOSHRIRTSA-N 546.692 6.228 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(OC)c(Br)c3)cs2)cc1[N+](=O)[O-] 2209683 VLOWDIZULVWTJR-UHFFFAOYSA-N 537.417 5.015 5 40 KKBB COc1ccc(/C=C2\CCCC3=C2N=c2s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n2[C@@H]3c2ccc(OC)cc2)cc1 8383483 JJCOIPWPCWJDCS-KGRNFQOISA-N 565.651 5.408 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1Br 8721686 CPFUVTIYJOHVTA-UHFFFAOYSA-N 507.391 5.006 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5ccc(F)cc5Cl)nc4c3)cc2[N+](=O)[O-])CC1 21595782 FOPWYQYQTNKQHG-UHFFFAOYSA-N 508.937 6.684 5 40 KKBB c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1 95829824 RFVBBELSDAVRHM-UHFFFAOYSA-N 506.648 11.300 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)cc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 100396158 JIYDYMUJLWNIJV-JPNDCQDCSA-N 575.577 5.385 5 40 KKBB O=C1/C(=C/c2cccc(Oc3ccccc3)c2)N[C@H](c2ccccc2)N1c1c(Cl)cc([N+](=O)[O-])cc1Cl 100476594 IZZJOGGSFAXDJS-MFCBUNOESA-N 532.383 7.370 5 40 KKBB COc1ccc(OC)c(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 103536935 MADWQJQPOQQSHX-ACZXLBTNSA-N 601.615 5.594 5 40 KKBB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 105316826 CKRPMKPUNFQFHI-UHFFFAOYSA-N 556.044 5.084 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 106659883 KLWRYCVFGPOHOU-RGDUZTMSSA-N 595.633 5.128 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 112252525 CFAAQZHCOWAWSC-JVWAILMASA-N 526.570 6.572 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224126970 ZBTNSSNXOQUHJS-QHCPKHFHSA-N 645.178 5.258 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NS(C)(=O)=O 225469927 LRCMUGUIGBVVFV-JWQCQUIFSA-N 549.634 5.107 5 40 KKBB O=c1sc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc2n1Cc1ccc(Cl)cc1 225791110 DZZSRWCMKFAZTC-UHFFFAOYSA-N 510.380 5.127 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 229862057 SUUWPAJIUSSOMG-CILKRHGOSA-N 576.008 6.104 5 40 KKBB O=[N+]([O-])c1cccc(NCc2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c1 408555675 HDGIWPASDNCBNU-UHFFFAOYSA-N 542.227 7.464 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Br)cc3)cc1)[C@H]1CCCN12 408568424 UJYFSJPTBCVFCJ-RAKSCHNQSA-N 534.410 5.083 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(Cl)cc1 408571171 NZAPAJRKIBYGHB-JOCHJYFZSA-N 567.857 7.364 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 408651677 HCZHWDLWWDEQRU-WPSKXCBGSA-N 627.436 5.732 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408684743 NYCWIJDILRDFES-UHFFFAOYSA-N 751.407 7.152 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408690184 ZYGDCBKHNVOCEQ-ZYNNUQKQSA-N 658.536 6.252 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408837316 CBQGEGSHHLNRRC-JLKMOJGBSA-N 599.709 6.179 5 40 KKBB Cc1cc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])cc1C 408918723 OESPQBOCVBWWBE-VUUXHMSQSA-N 503.352 5.115 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409077387 FHJQIAHTXBVBPT-PVQVBGRLSA-N 775.681 7.602 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)c1 409109156 YPQJWLSPFKFHRG-UDWIEESQSA-N 540.454 5.246 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409123007 DGLIHZZFNLLRCT-XDHOZWIPSA-N 537.388 5.018 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409170249 UYUPNJFDGWCMNK-ZVHZXABRSA-N 568.007 5.901 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409176830 YWQKLUZPKYVUOP-AREMUKBSSA-N 548.960 7.089 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409196057 MTWYCTZLKNFAFR-QRVIBDJDSA-N 548.577 5.473 5 40 KKBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O 409207585 YACYEULMEXVQLG-UZPSYVQNSA-N 524.473 5.784 5 40 KKBB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1OCc1ccccc1[N+](=O)[O-] 409255278 HQFJAYWNDQCFNB-QRVIBDJDSA-N 645.431 5.462 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409369631 DFTMQYIOQWYWGI-ZMFRSBBQSA-N 638.496 5.566 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409388437 HTAQULZEPSITLJ-YDZHTSKRSA-N 538.534 5.189 5 40 KKBB O=c1cc(CSc2nnc(Cn3cnc4ccccc43)n2-c2ccccc2Cl)c2c(ccc3ccccc32)o1 3298016 JPWZAYISDNVFLO-UHFFFAOYSA-N 550.043 6.871 5 40 KKBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2cccc(I)c2)cc([N+](=O)[O-])c1 6143781 JBFNILRZURRUCU-UHFFFAOYSA-N 538.261 5.057 5 40 KKBB COc1ccc(-n2c(CNc3ccccc3Cl)nnc2S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 6280777 JQPKSGBOOXKWPU-QGZVFWFLSA-N 553.044 5.877 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4cccc5ccccc45)cc3s2)c([N+](=O)[O-])c1 8406396 ASHYAYNWPCHHIR-UHFFFAOYSA-N 544.614 6.349 5 40 KKBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 12590002 QZKSKBRQQAKYDW-QZTJIDSGSA-N 507.612 6.235 5 40 KKBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc([N+](=O)[O-])cc4Cl)o2)N3)C1 15947012 YBNNZVNZYJVINQ-IBGZPJMESA-N 502.936 5.513 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 33355402 DIJGRMVXOWVTRU-UHFFFAOYSA-N 699.506 5.122 5 40 KKBB CC(C)Cc1nc2sc3c(ncn4c(SCC(=O)NC(c5ccccc5)c5ccccc5)nnc34)c2c2c1CCC2 53292136 PDPQRAHWAWTNCX-UHFFFAOYSA-N 578.767 6.572 5 40 KKBB CCn1c2ccccc2c2cc([P@](=Nc3cc([N+](=O)[O-])ccc3Br)(Oc3ccccc3)C(C)(C)C)ccc21 97984459 AMTTXDBRMNFDCE-LHEWISCISA-N 590.458 9.436 5 40 KKBB COc1ccc(C(=O)N/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)Nc2cccc(C(F)(F)F)c2)cc1 100736232 QIGKSOKDUSAQBW-RGVLZGJSSA-N 545.470 5.049 5 40 KKBB Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc1)C2=O 101438500 NEMIDVPFHCXIGV-UHFFFAOYSA-N 559.534 6.401 5 40 KKBB O=c1oc2ccccc2c(SCCN(c2ccccc2)c2c([N+](=O)[O-])c(=O)oc3ccccc23)c1[N+](=O)[O-] 102043407 SIUASXHZOQGLNQ-UHFFFAOYSA-N 531.502 5.646 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2cccs2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103519773 QLVSTNCGMUSMBH-QSNJERLUSA-N 547.592 5.638 5 40 KKBB O=c1/c(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163224473 KGIUQZGULDXTNC-ISZRBDKASA-N 650.554 6.568 5 40 KKBB CCCC[Sn](CCCC)(CCCC)Oc1c(C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 195999657 UOTWNOGVNBVELR-UHFFFAOYSA-M 543.293 7.834 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 208360774 IPJCPBKYMNNWHX-CCLVUABDSA-N 625.659 5.137 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223165605 SWPROZXIHJPRBF-QFIPXVFZSA-N 631.151 5.094 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3nc4ccccc4s3)cc2)cc1 224764679 KVXAXIWMIFBTMO-VMPREFPWSA-N 606.758 7.719 5 40 KKBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 224818805 QSAZCEABOXSWBN-LJAQVGFWSA-N 545.705 5.835 5 40 KKBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccc(Cl)cc1Cl 408557176 LVJBKEHEZJWSGK-UHFFFAOYSA-N 510.355 5.272 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408564928 GMCTUMQBNQZORO-OTGIWPJISA-N 542.419 5.493 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408564953 GTWVSJORXOCCFF-STNVRERYSA-N 570.415 5.088 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1 408640067 HDRJSVBEKVQOBL-WVZRZZCNSA-N 686.546 5.935 5 40 KKBB COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)C3)cc2)c1 408641301 CKQKZKJTPKRIJS-RUZDIDTESA-N 594.576 5.269 5 40 KKBB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 408736383 BJKMKPMRWVFSQB-NRFANRHFSA-N 507.572 5.132 5 40 KKBB CCOc1ccc(N2C(=O)c3cccc4c(-c5ccc(Br)c(C)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408757371 MPNHNSFWOAJWQQ-UHFFFAOYSA-N 531.362 6.685 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 408927242 VRGSKDBKGGOKKC-VFAWPYSXSA-N 644.558 6.384 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1C 408929189 IEAQCXZVAQVNAP-ZMOGYAJESA-N 596.459 6.228 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 408987721 QXNNPYDOPBGPAN-QDNAUZDWSA-N 658.914 5.391 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 408988807 RQQZOMMZPAJTGT-GARKAJJMSA-N 647.709 5.431 5 40 KKBB CCn1c(SCC(=O)Nc2c(C)cc(Br)cc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409134059 OOMJKZQPTWMPGH-NRFANRHFSA-N 589.516 5.443 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 409183490 TYSWRCZZSQAZPU-SANMLTNESA-N 575.360 6.483 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409190993 XWWRFEBEPUNDGO-ZWTGMXIPSA-N 773.680 7.111 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409191908 QBQRXQCOWZQRCJ-VNOBABJFSA-N 782.735 8.149 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409358899 MMZRUXLVCFFHAM-KAEGSSFASA-N 627.122 5.671 5 40 KKBB O=C(Nc1ccccc1C(=O)O)c1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 3668375 OMYROJSLTKWSMM-UHFFFAOYSA-N 523.457 5.138 5 40 KKBB O=C(c1ccccc1)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1 4417849 YXQFNZKRHRLICH-MHZLTWQESA-N 593.437 6.857 5 40 KKBB O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20969049 KKWJJOKMXYWCLN-UHFFFAOYSA-N 520.545 6.159 5 40 KKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2 25424741 GFAUOYZAYXRHMO-CAPFRKAQSA-N 515.590 7.400 5 40 KKBB Cc1ccc(C2=Nc3ccccc3N3[C@H]2O[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 28294675 SMRKYZRESNBWSJ-AWCRTANDSA-N 506.518 6.591 5 40 KKBB Cc1ccc(N2C(=O)N(c3ccc(C)cc3)C(=O)C3(Cc4cc([N+](=O)[O-])ccc4N4CCN(c5ccccc5)C[C@H]43)C2=O)cc1 97956983 NJNHXZNWJDRKPE-HKBQPEDESA-N 601.663 5.649 5 40 KKBB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3)CC2)c1 104146595 QTGLSUKJAFLRNA-UHFFFAOYSA-N 581.050 5.695 5 40 KKBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C(N)=O)C1 105315826 BFJLQRNUNJGPQY-CQSZACIVSA-N 526.640 5.293 5 40 KKBB CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)N(c2ccccc2[N+](=O)[O-])C(=O)[C@H]13 105346797 YGUPHSYJUKWQMM-UYMZSMCTSA-N 520.626 5.610 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 150395549 XNJSCFGQXQIWKN-KUSDHMTMSA-N 653.738 5.834 5 40 KKBB O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 163775179 UXOIIXUHLIHCFO-BHFPBWTASA-N 645.480 6.702 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222914773 WADXJRZNIRRKMJ-SANMLTNESA-N 542.463 5.856 5 40 KKBB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224444936 ASPIGTCLNFXRKG-VWLOTQADSA-N 607.516 5.040 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224761183 ZYFDWJUTVMPJGP-GOSISDBHSA-N 504.052 5.348 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225520684 ZPUCKSOTEBMXEW-YTTGMZPUSA-N 707.647 6.109 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)cc1 229954606 BIIYWHLOULXKJD-BMPBIMJCSA-N 662.698 6.801 5 40 KKBB CC(C)CCC[C@H](C)CCCCCCC[C@H](C)CC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)CC(=O)C[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 263583593 MCQUNSGKFVLGIP-YBZVZYEMSA-O 831.278 13.629 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 408569599 JUGXEPCEPUMMIE-RUZDIDTESA-N 525.030 6.235 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408663976 YMAFFFYQBHGKPW-BYVQZYKMSA-N 571.589 5.036 5 40 KKBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408667982 QQWQLZSYKIECIG-CYBMUJFWSA-N 815.063 7.021 5 40 KKBB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@H]5C6c7ccccc7C(c7ccccc76)[C@@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] 408674045 YFXJTVOJLGQZAY-FHIHVLJZSA-N 613.626 5.258 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408681257 HMJXQKCZGPPYTG-UHFFFAOYSA-N 618.054 6.825 5 40 KKBB COc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408727560 QKZKBJUCKVEIEH-FBHDLOMBSA-N 527.898 6.198 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729010 BQDZCDWOWGLDAC-QQMBNGEASA-N 730.593 6.317 5 40 KKBB O=c1/c(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408771214 GBILSXXEJNHQOD-MIUGUJGPSA-N 584.028 6.279 5 40 KKBB O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 408919448 YBNCHQXIWLSUFG-CAZKKTPXSA-N 509.743 5.151 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409030724 HOKVOQFIUYCESC-BXMULHQWSA-N 697.688 6.313 5 40 KKBB COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409085375 ZGOYPLUZUPCHSP-NDENLUEZSA-N 577.375 5.012 5 40 KKBB COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409086726 WONVBBJRSGOZJO-NDENLUEZSA-N 530.375 5.170 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC 409105202 HLXAWOMTADTTTJ-JLHDDXNDSA-N 691.604 5.362 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(COc4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc2ccccc12 409140145 DYLRENMSMFTRED-NULZLWRNSA-N 595.633 5.032 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 409190755 WAEUMEIZAKUJDH-FUYPNTDJSA-N 797.746 8.210 5 40 KKBB COc1cc(CNc2ccc(F)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409196770 XPLMAQKJTFCOBW-UHFFFAOYSA-N 508.287 5.538 5 40 KKBB Cc1cc(I)ccc1N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O 827823 FAJKHOSUXAGNIQ-UHFFFAOYSA-N 500.248 5.101 5 40 KKBB O=C(Nc1ccc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 3090134 YRIMUGZOARGDNA-UHFFFAOYSA-N 551.342 6.981 5 40 KKBB COc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)c2)cc1Cl 3280145 RVSVXRWBLHRSIO-UHFFFAOYSA-N 589.051 5.750 5 40 KKBB CC(C)c1ccccc1-n1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)nnc1-c1cccnc1 5945200 SKKWKOJUGLXURC-UHFFFAOYSA-N 553.442 5.854 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 44802988 SUJDYFZQZIDUQQ-UHFFFAOYSA-N 517.991 5.016 5 40 KKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1)Nc1cccc(Cl)c1 101140483 ATYOSRIEDQILII-UHFFFAOYSA-N 530.940 6.433 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C 101346879 ANUVNPWPCPQFAG-OYKKKHCWSA-N 533.562 5.166 5 40 KKBB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1 101520035 GYTHIZXLTMAAIX-UHFFFAOYSA-N 569.590 6.446 5 40 KKBB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(Br)c1 105576384 HUAFQXZMCYATSI-UHFFFAOYSA-N 514.788 7.054 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 164542378 ZVSCMHZPSDVBHJ-VZVSMJQGSA-N 691.762 5.830 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC 205659231 RNHDLMQKRHNLFA-WOJGMQOQSA-N 554.362 5.233 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214661361 IWZOMOWUMJHDLH-YDZHTSKRSA-N 587.532 6.480 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 222825048 WIKSBWJOWSJQTR-SANMLTNESA-N 598.494 5.157 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224130799 XCQAMKJSESBLMJ-UUWRZZSWSA-N 672.804 5.582 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224337698 DIPSFXZLULFTHH-WJOKGBTCSA-N 632.714 5.096 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224882142 YCWUTXSYDIYDFT-OAQYLSRUSA-N 647.581 5.963 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 224882858 QXJNTUUYHTZTFG-LJAQVGFWSA-N 627.163 5.022 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225267129 QNTPASZVZDIFRM-YTTGMZPUSA-N 628.751 5.347 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225319373 FIRNDOQKRWHAFB-WOJBJXKFSA-N 621.543 5.429 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225599205 HNSCJXSXRUMHDZ-UMSFTDKQSA-N 741.694 6.970 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225697769 GIGLOLYAAZCYFX-KSFYIVLOSA-N 526.486 5.857 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc(C)cc2)=C1c1ccc(C)cc1 253575577 UTZPLZWFWNCZFX-JYGBZPGKSA-N 660.726 7.409 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260936344 QOXVXEJORRFXBC-PGUFJCEWSA-N 733.287 6.850 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260993548 QJOJUJSTKMAASI-HXUWFJFHSA-N 665.596 5.746 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 408564270 UQOUCZVXAVLPIX-UHFFFAOYSA-N 500.747 5.608 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 408566566 FPTXYVAECYUAGC-MUUNZHRXSA-N 589.515 7.489 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 408572741 RXMSGPDIHDDCGL-XMMPIXPASA-N 540.001 6.135 5 40 KKBB Cc1c(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 408588435 WFZKHMXTXXYQKK-UHFFFAOYSA-N 508.383 5.040 5 40 KKBB Cc1ccc(COc2c(Br)cc(Br)cc2CNc2ccc([N+](=O)[O-])cc2)cc1 408611546 SYFIPXGJCSMREY-UHFFFAOYSA-N 506.194 6.619 5 40 KKBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408642618 NIAMKWXZLSPJLH-OAHLLOKOSA-N 773.026 6.960 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2cccs2)cc1 408650244 ZYSMTEFXYRLRMJ-UHFFFAOYSA-N 624.414 5.719 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 408786650 LONQTWFDPXQRON-NQUBGTRZSA-N 645.737 6.213 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 408823976 HEBAATFSMXHPRP-MFCBUNOESA-N 682.980 6.010 5 40 KKBB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCCC6)cc3[N+](=O)[O-])sc2c1 408991733 PCHFEJUEHNCIIJ-KDURUIRLSA-N 657.799 7.682 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409032696 MOYQQNXIVRLABL-DBHVVYFFSA-N 813.667 6.085 5 40 KKBB COc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 409114400 HKKFFOHRBVDIFQ-DHUJRADRSA-N 620.105 8.197 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4Cl)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409142006 ADXTYMIZCMSOHT-GKTKDVHMSA-N 682.980 6.010 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409169468 QZKUFIXBMXEBEC-FSJBWODESA-N 578.559 5.596 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C 409343268 DSCUDSQWQHGVFD-HXUWFJFHSA-N 585.901 6.024 5 40 KKBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 409362023 RQTIMUNNFJIVET-FQEVSTJZSA-N 522.458 6.323 5 40 KKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@@H](Cc3c[nH]c4ccccc34)NS(=O)(=O)c3ccc(C)cc3)ccc12 2094485 RQGGROYNGMIGSC-GDLZYMKVSA-N 596.661 5.548 5 40 KKBB biogenic CCn1c2ccccc2c2cc([P@](=Nc3cccc([N+](=O)[O-])c3)(Oc3ccccc3)C(C)(C)C)ccc21 12580888 JZKKSSZSERXPAO-QNGWXLTQSA-N 511.562 8.673 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 14410962 NPGRMRZUVRLSHJ-LHLOQNFPSA-N 505.596 5.339 5 40 KKBB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 16779636 FWKWLEBTRCEQMX-UHFFFAOYSA-N 507.568 5.441 5 40 KKBB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cc3ccccc3c3ccccc23)cc1 19325916 SJGWTCJHWTXHEO-UHFFFAOYSA-N 502.658 7.417 5 40 KKBB O=C1C[C@@H](Sc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Sc2ccc(N3C(=O)C[C@@H](Sc4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 33355468 NNNADSJMWUOOHI-VSGBNLITSA-N 686.749 6.503 5 40 KKBB CCn1c2ccccc2c2cc([P@](/C=C3\N(C)c4ccccc4C3(C)C)(=Nc3cc([N+](=O)[O-])ccc3C)N(C)C)ccc21 97984590 KDJUZEZZCIOQLZ-BHAZPOGSSA-N 591.696 8.935 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100390580 YSENSHJCQDXMGQ-WJQBNGMASA-N 510.502 5.056 5 40 KKBB O=C(c1ccccc1F)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 103548338 JGNJRRHOXRHTNS-NBJHOTSESA-N 559.553 5.590 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c2=O)=N1 163468989 YZXFJEAETYREDI-IMMOAUGXSA-N 689.790 6.983 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224505693 LKCHEYGNYCLVGV-YTTGMZPUSA-N 786.145 7.078 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)cc1C 408565660 CRHJXRLLRJETSC-VWLOTQADSA-N 571.472 6.783 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408566455 OHLYPPZXWRYHCY-BBFXTFFKSA-N 582.426 5.230 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408567745 REOKDBYHPCJROB-DTNWAODDSA-N 607.288 5.865 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1ccc(Cl)cc1 408571911 PVSXSISELHTYBD-HSZRJFAPSA-N 604.870 6.589 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(OC(C)C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408629759 HNLVRWFJYCJPOW-UHFFFAOYSA-N 548.017 5.186 5 40 KKBB CCn1c(S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633561 KOABVJOUWMAGDB-IWIPYMOSSA-N 567.023 6.332 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 408824919 BVXQTBDQFCRBPF-VNOBABJFSA-N 646.681 5.723 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(SC)cc1 409001902 XPTDZVXTANSDBK-WAHKBFHJSA-N 612.776 6.964 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409035469 PTBNQMFIUNTJSQ-YIZDPVPOSA-N 716.552 5.224 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4OC)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409040565 GSMJQPSZVWHESO-FZTAYZORSA-N 538.556 5.044 5 40 KKBB O=C1/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)NC(=S)N1C1CCCCC1 409076482 AVAGEVDBSIKHPX-NDENLUEZSA-N 689.313 5.773 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409092818 ZIAKAONWXSJBON-ZUXOAJPSSA-N 665.753 5.184 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409126551 CHOFFIDNCPZQSV-LPYMAVHISA-N 561.454 6.562 5 40 KKBB Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccccc4Cl)n3C)n2)cc1[N+](=O)[O-] 409160438 YMPAJVLUXJSWAR-UHFFFAOYSA-N 500.993 5.206 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409180573 XBIVYKLTGJTVGI-KOHOJCOXSA-N 654.144 6.401 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc5ccccc45)C3=O)cc2)cc1[N+](=O)[O-] 409256207 KLASJGYUCREJQZ-YSMPRRRNSA-N 603.634 5.499 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)c1ccc([N+](=O)[O-])cc1 409270088 FQSMVWJDWWGYHU-SSDVNMTOSA-N 573.461 6.233 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 409271356 BTNNGUNYXIZVMH-SRZZPIQSSA-N 556.394 5.909 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl 409273904 MWOJDYMFORCQKW-BHGWPJFGSA-N 573.410 6.408 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1 409274844 QINVMLAJLGVJHY-ZVHZXABRSA-N 597.443 6.254 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409329273 DBEUMKNRJGVXDI-NDENLUEZSA-N 585.392 5.228 5 40 KKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)c1ccccc1n2CC 2274330 BFCVNAMVAOUGMX-UHFFFAOYSA-N 514.633 6.992 5 40 KKBB O=C1/C(=C\c2ccccc2)S[C@]2(SC(c3cccs3)=NN2c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 4293497 PSPQSKYDILSWKF-OLIAQGHGSA-N 542.667 7.004 5 40 KKBB C[C@@H](c1ccco1)N(C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1 8686796 YEQOYAOCCAHELE-INIZCTEOSA-N 526.958 5.445 5 40 KKBB aggregator O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@@H]2[C@@H]1c1ccc(Br)cc1 97982716 OOCCWTBJFYDRNB-OXMMHQGISA-N 629.736 8.210 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 100362307 YBIWMBBHPYPIGK-LPYMAVHISA-N 525.380 6.173 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 100390473 KIRCSOIFZZVGLH-DHIUTWEWSA-N 534.952 6.077 5 40 KKBB O=[N+]([O-])c1ccc(CON(Cc2ccc([N+](=O)[O-])cc2)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 102773024 KSIDZCZTQJEYPY-UHFFFAOYSA-N 533.544 6.765 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 106332411 PLBXCZMVTVKDJQ-XBXARRHUSA-N 540.325 6.542 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)cc2[N+](=O)[O-])cc1 150490236 ZGAAFAKAZRNPRC-JJFYIABZSA-N 618.918 7.145 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224485230 RZWLSXKFSJUDTO-RUZDIDTESA-N 598.494 5.300 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261005554 QZEKHOJCCGCDGS-JGCGQSQUSA-N 741.694 6.969 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 408573091 SLLVNYPBKKPCFO-HSZRJFAPSA-N 594.318 7.334 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 408573107 SMNQYTMSCDVZMR-RUZDIDTESA-N 543.020 6.456 5 40 KKBB CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OCC 408575026 VNTJNPLVQURMGC-OAQYLSRUSA-N 521.437 5.554 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 408576736 YFTPLJHKAUZVGF-DEOSSOPVSA-N 589.899 6.689 5 40 KKBB CCn1c(S/C(=C\c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)O)nnc1-c1ccc(Cl)cc1 408634406 QUHFJEVYJPFTNC-NVNXTCNLSA-N 525.768 5.213 5 40 KKBB O=C(O)/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)Sc1nnc(-c2ccc(Cl)cc2)o1 408635247 YNXCZNWCNLNIGV-ZDLGFXPLSA-N 504.307 6.429 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408654447 QMHFMMAVKWZHLY-MFTWVQLTSA-N 684.104 7.173 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)c2)CC1=O 408662026 MJWNOUKZNKRYRO-NSHDSACASA-N 639.231 5.976 5 40 KKBB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408668977 RPGBWWFTHILWIY-LBPRGKRZSA-N 623.232 6.276 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408679295 DRFJLEAZFJEVJL-ZYNNUQKQSA-N 658.536 6.252 5 40 KKBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 408729381 ZFSUIOQLAKLRPN-SKGAXEKPSA-N 568.221 5.313 5 40 KKBB Cc1ccc(C)c(N2C(=O)c3cccc4c(-c5ccc(Br)c(C)c5)c([N+](=O)[O-])cc(c34)C2=O)c1 408756956 KQVPDPJNCIMKBF-UHFFFAOYSA-N 515.363 6.903 5 40 KKBB CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408772680 GZLBMYLUWQNJEG-LKWZWFHSSA-N 631.492 6.339 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408825513 KDEPGVNRIQBIGJ-KEPJHFNWSA-N 682.582 6.380 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c2=O)=N1 409033163 NFUKVQLOEIGODN-ZGOFBEGVSA-N 664.534 5.057 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409230499 YWSJAGUZFNEINS-OEAKJJBVSA-N 579.407 5.030 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409355068 BHISDNQVCFTVAB-MIUGUJGPSA-N 692.588 5.755 5 40 KKBB CCCC[C@H](CC)Cn1c2ccsc2c2sc3c(sc4c5sccc5n(C[C@@H](CC)CCCC)c43)c21 1776011045 UADKGDDJUZOUSC-PMACEKPBSA-N 554.916 11.734 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3Nc4ccccc4-c4nnc(SCc5ccccc5)nc4O3)o2)c1 2073825 YBXLWYIUEISVGQ-RUZDIDTESA-N 509.547 6.502 5 40 KKBB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)s2)c(C)c1 2617378 ZOTRFQQQUZZVJV-AWEZNQCLSA-N 512.642 6.050 5 40 KKBB Cc1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc(OC(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 9030445 HKFJVNIGJBLCSU-UHFFFAOYSA-N 516.531 5.158 5 40 KKBB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2)c1ccc(Cl)s1 34702479 PYHMHMVOMJCCAR-LGMDPLHJSA-N 518.978 6.775 5 40 KKBB O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[C@@H](C(=O)c1ccc2ccccc2c1)[C@@H]1OC(=O)c2ccccc21 102980503 JVKNCBVJIVEUBW-ZEQKJWHPSA-N 562.456 5.685 5 40 KKBB CCCCC1CCC(C(=O)/N=c2/c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2CCc2ccccc2)CC1 102981442 JJIJCIPWSCZYPI-GXVXDJONSA-N 554.691 5.493 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCC(C[C@H]2CCC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 104479988 QBUVUUDXKYKDED-MIFVJVCISA-N 538.605 5.954 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 106702527 HHUYFLJNKZXFBF-JJFYIABZSA-N 593.377 7.713 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)c1 111467881 YIVMLXODTUBEKQ-HDFSHUSISA-N 592.633 5.051 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Br)[C@H]1[C@@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150389191 PQCIWCLZNVPWIH-YCYQBQBNSA-N 797.613 10.462 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2OC)sc2c1CCC2 150391291 ZNUIPXRWHXMYDI-SFHVURJKSA-N 664.766 5.269 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 163227650 GGKSPCWZXQWQGS-UDHMSBBDSA-N 680.580 6.577 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163624892 MEBYQSROXGXSAY-DKOMQPSQSA-N 791.813 7.551 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccccc1 214670280 CCMSTUWQXRGWLD-CIAFOILYSA-N 543.479 6.081 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214767767 YBNXFOTXOQOQIH-FSJBWODESA-N 545.400 6.726 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222800648 GMWZRKCXJOMQFS-NRFANRHFSA-N 631.151 5.093 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223511021 IFAJFIGFOVYSSZ-OGVWKLGRSA-N 741.694 6.969 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223770242 FQCRAUREHADYQE-IBVKSMDESA-N 552.469 5.455 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224388324 JNBUCTZRDZJUGX-HHHXNRCGSA-N 675.179 5.766 5 40 KKBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224739402 VIGIZLNYUDPFBJ-OAQYLSRUSA-N 643.560 5.029 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 225285108 JGPCNBNOAVDCFH-SXOMAYOGSA-N 543.605 5.320 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccccc1)[C@@]21C(=O)Nc2ccccc21 248342415 YEKSFGXTSXPVKO-AOFBEVEVSA-N 555.590 5.841 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408569665 WVKBYHNPKMGJDP-PWBHZWRTSA-N 532.811 5.748 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408633646 OIWGJHQTDMSKRW-UCQKPKSFSA-N 536.566 5.677 5 40 KKBB CCn1c(S/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)O)nnc1-c1ccc(Cl)cc1 408635000 WHMOXTZANSETDH-VAMRJTSQSA-N 648.144 8.869 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccccc2)cc1 408644379 RBLZGNINAJWCSG-IKTNGCAPSA-N 772.208 6.501 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1 408669235 XCGGGFACMVJFKZ-WPSKXCBGSA-N 627.436 5.732 5 40 KKBB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c5C4=O)c3)CC2=O)cc1[N+](=O)[O-] 408672041 UXNLTJCNCAFYJM-GFCCVEGCSA-N 623.232 6.276 5 40 KKBB O=C(Oc1cccc(Br)c1)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Oc4cccc(Br)c4)c3cc12 408720742 XVHHJHMEYAYCMZ-UHFFFAOYSA-N 730.412 10.080 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733953 SZPHCOSUDVJLEL-FVUNBJOLSA-N 635.698 5.854 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 408757510 YSTRRSPJVFXCLL-PLNPHXOGSA-N 696.579 6.185 5 40 KKBB COc1cc(C2=N/C(=C/c3cc(Br)ccc3OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)C(=O)O2)cc(OC)c1OC 408848360 VYBOZJUJDVMLIV-GIJQJNRQSA-N 673.881 6.815 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 408927237 VRGSKDBKGGOKKC-HKXGNNSISA-N 644.558 6.384 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408934831 DHDAODXUVCIRJP-JREUYWDSSA-N 717.203 7.103 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408992349 AKLMPQJRDQJMKW-OTHIGLTOSA-N 911.556 7.755 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408999890 SRBIFBSUEASNCX-CTYPWNGFSA-N 747.634 9.758 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409047352 MJPWJUDEVHRSPO-FLGOMVIPSA-N 766.225 5.288 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409163913 ZLJYASQLDJITRV-SSDVNMTOSA-N 609.376 7.414 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409171140 ZIJMAAHTQDDZQR-HXUWFJFHSA-N 551.456 5.371 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409180497 YPQHSURLKCNUNE-SANMLTNESA-N 535.961 5.862 5 40 KKBB Cc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 409196209 XPIHTJYZRKXSJB-JAIQZWGSSA-N 586.192 5.992 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409273711 RNJICBSPRCGPQA-SSDVNMTOSA-N 569.935 5.877 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409356287 FZTFDFKVVYXWSE-CCVBWGSMSA-N 855.876 6.457 5 40 KKBB CCOC(=O)COc1cc(NC(=O)c2sccc2Oc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl 1397949 IGPQZOKBOPRXIW-UHFFFAOYSA-N 511.339 5.950 5 40 KKBB COc1ccc(CCNC(=O)c2ccc3c(c2)nc(SCc2ccc([N+](=O)[O-])cc2)n2c4ccccc4nc32)cc1OC 2959536 YQVUIQJQAXAJHN-UHFFFAOYSA-N 593.665 6.226 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 8426138 QFNUMOYWXUNSHZ-NMEUQEADSA-N 637.442 5.538 5 40 KKBB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)CC2)cc1 14279419 XHBCELYQPYRWRP-UHFFFAOYSA-N 510.550 5.378 5 40 KKBB COc1cc(-c2nc(NC(C)=O)c3c(=O)oc4ccccc4c3n2)ccc1OCC(=O)Nc1ccc(Cl)cc1 101488088 RNEVIESJJGKMON-UHFFFAOYSA-N 544.951 5.041 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103627331 ZMIHIEGLVVBBGF-JUQCDRLLSA-N 571.589 5.460 5 40 KKBB C[C@@H](/N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1)c1ccccc1 104266819 VFKUFQIZGDLVQP-RJDAJXPISA-N 535.478 8.843 5 40 KKBB O=C(NC(=S)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 161943426 YBKDTDDQIARLEH-UHFFFAOYSA-N 658.353 7.783 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1C 408575977 XCHIEXGVBBKNNW-VWLOTQADSA-N 527.021 6.674 5 40 KKBB O=c1/c(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408757394 MWEVPYBRDFJQIE-OIUASMPBSA-N 808.346 8.093 5 40 KKBB CC(=O)Oc1c(Br)cc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408782248 GDGBHTBJBJPWRQ-LNXFQTKESA-N 681.362 5.677 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408786954 YNVIEVFJZWGATC-IQPMGOHCSA-N 724.235 7.208 5 40 KKBB CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409035918 KNYZOTHVTULZHT-YNMQQHPQSA-N 725.561 5.289 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1 409085597 BXHPKROOMDXUFK-NNAGEYCMSA-N 592.633 5.051 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409191629 JQRNJCJAQQSLRI-VZVSMJQGSA-N 794.359 7.257 5 40 KKBB COCCCN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 409250549 RABOQONSISWKFU-WOJGMQOQSA-N 680.258 5.456 5 40 KKBB COc1cc(C(=O)OCC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc(OC)c1OC 860050 LKBPQCKUUIUQJW-UHFFFAOYSA-N 501.875 5.106 5 40 KKBB CC1(C)C[C@H](n2c(SCc3ccc([N+](=O)[O-])cc3)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1 6232513 LUWBBJRYDMGEHZ-HSZRJFAPSA-N 531.678 6.609 5 40 KKBB O=C(CSc1nnc(-c2ccccc2Br)n1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 6474667 JNLCKKNWDPSBTM-UHFFFAOYSA-N 544.818 5.989 5 40 KKBB CSc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)c4ccccc4)c3)CC2)cc1 8444751 VPRPNNZAJGXFGS-IBGZPJMESA-N 512.657 5.001 5 40 KKBB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](C[N+](=O)[O-])c1ccc(N(C)C)cc1 8927193 VFILCUMPYXSAII-RWLJTPHYSA-N 550.721 8.218 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccccc1F 9232490 KOJQTCVPJBQGNI-ZVHZXABRSA-N 508.527 5.948 5 40 KKBB CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 24522509 MDFAGFSWQBOYFQ-RRPNLBNLSA-N 502.567 6.438 5 40 KKBB CC[C@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 100926707 ACTTVKYFPXTCSY-UAPGQXJBSA-N 526.976 5.964 5 40 KKBB O=C1OC(c2ccc(NC(=O)c3cncc(Br)c3)cc2)=N/C1=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl 100948021 DGUSMQYGBMMTFP-NGYBGAFCSA-N 562.163 5.656 5 40 KKBB CCCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] 101720891 RQKQGSKGJFWZCU-ZIRCPPMYSA-N 537.641 5.406 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)Cc1ccc(-c2ccccc2)cc1 103629867 VZCNFTQOJOBDKQ-WIKZRCHHSA-N 560.654 5.668 5 40 KKBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 104086860 VJACAGBAYMPULG-UHFFFAOYSA-N 564.042 5.072 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(Cc5ccccc5Cl)CC4)c(Cl)c3)cc2[N+](=O)[O-])CC1 104098554 YDHXMYJDVGUXHR-UHFFFAOYSA-N 582.532 6.712 5 40 KKBB CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105305826 OIQKRQJEDAJDOQ-UHFFFAOYSA-N 543.649 6.391 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 111469638 GMXAGAZFMPLKPR-FWESEHMYSA-N 609.635 5.551 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163694595 GMENUNHRNAPUJD-CBYYHRJHSA-N 678.472 6.135 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 164010482 QZZAGAPRMGWSEJ-AUPFZTMHSA-N 946.352 6.274 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1C[C@H](C)O[C@@H](C)C1)N(C)C(c1ccccc1F)=N2 195529290 QRHXIVUKFZQGFG-ICGYAUEPSA-N 666.492 7.112 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223308948 QHGGTNCIICKXNR-HXUWFJFHSA-N 700.041 6.401 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225354034 PVECZFXTQNPULS-UMSFTDKQSA-N 689.234 6.533 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225406119 JPQUIAUHJSOZIG-YTTGMZPUSA-N 663.196 6.000 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 248188325 IUMWQSBZCGWYSD-ZPULPCPSSA-N 597.671 6.775 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 408565634 CPCDOWCAJZEZTC-SANMLTNESA-N 603.528 7.369 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 408566575 FPYVHAHEJGUCAP-VWLOTQADSA-N 577.465 7.109 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(Cl)c1 408567073 GHQSJTJPDLNNNS-RUZDIDTESA-N 617.953 7.306 5 40 KKBB CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OCC 408571521 OUMBYJURPBWSEY-OAQYLSRUSA-N 521.437 5.554 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408646261 IMOACOJOBZEGFB-DZUWIXTPSA-N 746.559 7.253 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408684462 NKKHFGPNHGRZCJ-TUSFPTNYSA-N 658.536 6.252 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735370 QTSITOXIXLFKGA-TZUCAZQYSA-N 674.688 5.204 5 40 KKBB Cc1cccc(C2=N/C(=C/c3ccccc3OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)C(=O)O2)c1 408838192 CQMJGXUYIOOOOX-XDHOZWIPSA-N 518.934 6.335 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c2=O)=N1 408865661 BRQMOTFQBSVHBK-PRLWALMFSA-N 638.098 5.417 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409032430 IYGRNUOGHJLXLU-TZUCAZQYSA-N 674.688 5.203 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N1 409035887 KNLROTZYGQTNCQ-ZMTYCLHQSA-N 678.163 5.736 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c(Br)c4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409178418 HNPIESZMKPUNDW-JAYSWQADSA-N 622.497 5.346 5 40 KKBB CCc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 409181597 DKRSUJWDCRKUMX-MUUNZHRXSA-N 534.524 5.739 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)c1ccc(Br)cc1 409222753 FCWPODDYPWSFES-JAIQZWGSSA-N 540.351 5.464 5 40 KKBB CCCC[C@H](CC)COc1c2sc3cc([Sn](C)(C)C)sc3c2c(OC[C@H](CC)CCCC)c2sc3cc([Sn](C)(C)C)sc3c12 1776011000 OXHUOTZHJDVCGX-PYXXQEEWSA-N 884.516 12.826 5 40 KKBB COc1cc(NC(=O)COC(=O)c2c(C)nn(Cc3ccc(Cl)cc3Cl)c2Cl)c(C)cc1[N+](=O)[O-] 103070616 JHGCHPKZTMHXCN-UHFFFAOYSA-N 541.775 5.221 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1Cl 105250874 ZIVNOZNHLKSDGU-UHFFFAOYSA-N 555.256 6.453 5 40 KKBB CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 105313623 MLMOREOICWTIHZ-UHFFFAOYSA-N 526.578 5.586 5 40 KKBB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]32)ccc1OCc1cccc(Cl)c1 105912919 SRBGMCBGEUXJBO-WPFOTENUSA-N 610.069 5.381 5 40 KKBB O=C(O[C@@H]1CO[C@@H](n2c(=O)oc3c(Cl)cc([N+](=O)[O-])cc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 150369794 WEAGHRCJBNUSEH-YXINZVNLSA-N 659.003 5.362 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 163703331 JEAPESPZDVPXBH-IYVASWNSSA-N 741.598 5.900 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223544949 KASWPTPXGXFBDJ-KDYSTLNUSA-N 554.112 6.036 5 40 KKBB CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224393650 IOHRUWLOFRQFDA-FQEVSTJZSA-N 621.543 5.286 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224710240 CWRKORGQSMPCNM-HHHXNRCGSA-N 601.125 5.023 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 224793149 UERMTHDPLYOTOP-WDYNHAJCSA-N 595.662 7.486 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225017875 CCAPTKNGXSWLHZ-PMERELPUSA-N 636.771 5.363 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1cccs1)[C@]21C(=O)Nc2ccccc21 248334049 KUEKYYDBCBGJPW-CKXMCULTSA-N 561.619 5.903 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408568722 ILFQQARGFDTTDN-SANMLTNESA-N 666.425 8.350 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(F)cc1 408571082 NIDFDAFYXDPKGE-VWLOTQADSA-N 508.575 5.803 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 408727634 VCGUAQMGKNEQRH-YIECNSLDSA-N 630.078 5.782 5 40 KKBB Cc1ccc(C)c(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c1 408750959 UNWXYPSURORPKW-UHFFFAOYSA-N 518.576 5.353 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OC(C)C 408916995 KIPOESQIUYYNRC-VCHYOVAHSA-N 507.362 5.390 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408946929 ZOMLLABXECPHGC-SZYVSPPHSA-N 682.582 6.380 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 408995236 BAXVEXIPMXMMHP-ZGOFBEGVSA-N 634.508 5.048 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409082807 SXLLINRXNQKBGX-XSTKMXAKSA-N 708.587 5.455 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccccc1 409113601 HTEZZPDTVZKJAJ-HHHXNRCGSA-N 518.400 7.263 5 40 KKBB CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 409161555 VQSMCAHOPPTMTQ-RGFRMHDHSA-N 617.680 5.072 5 40 KKBB O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)c1 409173043 LBHPWASELMCXOC-UHFFFAOYSA-N 528.904 6.198 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409194372 BCFRDWSUEWMCHE-UCQKPKSFSA-N 548.577 5.418 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O)Nc1ccccc1Cl 409240623 HETLXLRVCCLDQI-CVKSISIWSA-N 574.014 6.655 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)c1 409253209 FEMWESNSKYZRKK-FOKLQQMPSA-N 650.429 7.460 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(F)cc1F 409272363 GGHZMHDBTNGJFV-DJKKODMXSA-N 519.869 5.461 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc(F)c(F)c1F 409276713 VLGOGHOMYNBTGH-RGVLZGJSSA-N 543.479 5.266 5 40 KKBB Cc1oc2c(C)c(OC(=O)c3ccc4c(c3)S(=O)(=O)c3ccccc3C4=O)ccc2c(=O)c1Oc1ccc([N+](=O)[O-])cc1 3168852 NDPNMKQYRNPQRJ-UHFFFAOYSA-N 597.557 5.707 5 40 KKBB COC(=O)CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)OC)c5C)C(Br)=C4C)c(Br)c3C 4683972 NGRWTUMMHAFCQY-UHFFFAOYSA-N 696.440 7.967 5 40 KKBB CCN1CCN([P@@](=Nc2cc([N+](=O)[O-])ccc2OC)(c2c(C)nn(-c3ccccc3)c2C)C(C)(C)C)CC1 12579233 AINKOLQFKJWBFA-LHEWISCISA-N 538.633 5.915 5 40 KKBB C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1 13017546 GOLMXQYRRHVGQU-CYBMUJFWSA-N 506.868 5.958 5 40 KKBB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)N(c4ccc([N+](=O)[O-])cc4)O[C@H]3C2=O)cc1 102754530 WHORAWYKUZATPJ-UPRLRBBYSA-N 549.539 5.174 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 106719430 DUGRNPWFWCWNER-KSEXSDGBSA-N 588.425 6.164 5 40 KKBB O=C(NC(=S)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 150398108 MGBUMLPQKDLZHY-UHFFFAOYSA-N 677.400 6.360 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccccc1 150447587 ZUXWJWSEHISENO-MTJSOVHGSA-N 647.301 6.374 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(I)cc1 215228036 PBYHZJBSADMMCG-SRZZPIQSSA-N 603.350 6.136 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223488348 UYKRYNCWZSIMGW-JIPXPUAJSA-N 554.112 6.036 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223490014 CTYBCVXPLUEHNF-IBVKSMDESA-N 508.018 5.346 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 225359242 VBFWVLXWIUGEEK-LJAQVGFWSA-N 627.163 5.103 5 40 KKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Br)cc1 245285371 WSTYHZRHYRANJR-GOZLYBISSA-N 682.589 9.954 5 40 KKBB CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)O[C@H](C)c1cc(OC)c(OC)cc1[N+](=O)[O-] 256072765 LIKGQASPYMHUMB-ZOSJXDHSSA-N 513.675 8.362 5 40 KKBB CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1 408530854 RVJPYOGUYSCYJC-PGUFJCEWSA-N 648.741 7.469 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 408565889 DDBARRSSYGBMLR-AREMUKBSSA-N 555.056 6.326 5 40 KKBB Cc1ccc(COc2ccc(Br)cc2[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 408569673 WVLJCIFXNVIRDM-IWEUKVTLSA-N 548.437 5.391 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(OC(=O)c2ccco2)cc1 408640269 HTDWEDCFTFXDND-UHFFFAOYSA-N 677.236 6.557 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccccc1 408676243 AOMHLTHRAUOANX-ZBWOKKAISA-N 652.101 5.282 5 40 KKBB O=C(Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1)c1ccccc1C(=O)NC1CCCCC1 408749924 VAOADKDQEZMWBO-UHFFFAOYSA-N 546.674 6.812 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408822149 BKLSYMVBXPAOLX-ORVZPOCUSA-N 717.425 6.663 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408837375 DMLZXZFVUVTSHN-PKYOQBLNSA-N 603.672 6.009 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408853127 LTUVDFMFDBCKNI-FUFNRSNVSA-N 587.654 5.062 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408943661 UIYOLPWVGDGSHR-PNZYDNNZSA-N 644.544 5.043 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br 409149339 CAMJDWVTZYSHER-INJWXVQMSA-N 740.658 5.434 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 409151640 CRELQWRQYLCCTH-WSDLNYQXSA-N 548.533 5.587 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)ccc1Cl 409154710 KSSXSWODBUQABM-YDZHTSKRSA-N 600.005 5.759 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1 409160547 RFJQNZNUKJMLNP-UCQKPKSFSA-N 570.048 6.473 5 40 KKBB COc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 409192345 BCJKHKXSJFMJLB-BMHAZCCXSA-N 628.229 6.092 5 40 KKBB COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409273279 JPIZWEBZTQIZHU-FBHDLOMBSA-N 550.898 7.309 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5ccc([N+](=O)[O-])cc5s4)cc3s2)c([N+](=O)[O-])c1 409335281 KXLLXYAOAVECLN-UHFFFAOYSA-N 642.722 6.193 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)o1 409387885 XWEMXZODPMEDHS-FSJBWODESA-N 517.519 5.214 5 40 KKBB COc1ccc(CCNC(=O)c2ccc3c(c2)nc(SCc2ccccc2Cl)n2c4ccccc4nc32)cc1OC 2959540 FORXCIJRDUXWRT-UHFFFAOYSA-N 583.113 6.971 5 40 KKBB O=C1N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCc4ccccc4[C@@H]32)C(=O)N1c1ccc(Cl)cc1 14944672 OCTWHJYZKKWRBY-ATIYNZHBSA-N 502.914 5.018 5 40 KKBB CCc1ccc(C2=NN(c3ccccc3)[C@@]3(SC(C(C)=O)=NN3c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 97951825 YXSIGIQRMZXNDN-HKBQPEDESA-N 547.640 6.696 5 40 KKBB O=C1Oc2c(cc3c4c2CCCN4CCC3)[P@](=Nc2ccc([N+](=O)[O-])cc2Br)(N2CCOCC2)N1c1ccc(Cl)c(Cl)c1 97984324 DDRRXUQRCWDYBZ-QLKFWGTOSA-N 707.349 7.702 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc12 100368778 DGBCNHJNBWOOLM-MYYYXRDXSA-N 576.055 7.228 5 40 KKBB CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1 102767787 NOMWOLSPSJFZEY-TZRRMPRUSA-N 507.930 5.088 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1 103085900 DYKSFKBSSABALT-HSZRJFAPSA-N 548.049 7.030 5 40 KKBB CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1 105304586 JMJJBVPHOLLNMO-UHFFFAOYSA-N 526.574 6.913 5 40 KKBB C[C@@H](NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]2CC[C@H]1C2 108884030 YWTZHPUSGYJAHZ-OLPIVMHESA-N 570.893 5.147 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1 164513150 NFRFNYPPJNTGOQ-SVXDAGRPSA-N 648.653 5.544 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1)S(C)(=O)=O 224834461 SQQCXDBFHTUGKI-UHFFFAOYSA-N 531.590 5.074 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 225697423 HUEZVFMPVSBLAB-SXOMAYOGSA-N 527.606 5.560 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261104399 WUUATCTZMJDCCG-BNHRFMORSA-N 697.641 6.652 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 408565187 ITOVNRQMLIFZIK-BBFXTFFKSA-N 537.975 5.121 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1Cl 408567643 HATZERAAHOGSLS-VWLOTQADSA-N 525.030 6.317 5 40 KKBB O=C(O)/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408635196 XXZCKYPATSPLAU-ZDLGFXPLSA-N 503.323 6.165 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 408640500 IFQMHRQIHASAMW-WQWSHVPRSA-N 638.460 5.782 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408688160 VVFPJWYWPIMCGV-UDPYREPESA-N 571.589 5.036 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 408727631 VCGUAQMGKNEQRH-NAIWQIQESA-N 630.078 5.782 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(Br)cc3)c2=O)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408730425 GFAPBLSARRCEFU-YRSDHNRQSA-N 664.534 5.166 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408769878 QCVSGNVSARKUNP-UWRMONIRSA-N 852.352 6.590 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408844682 DXYSIDZWLUHYQT-MFCBUNOESA-N 608.072 5.407 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1 408855010 LSXZRVQETIYZHO-DDBFQISPSA-N 606.660 5.441 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408856916 MGRUQLNRBIIGJJ-PYCBVSLESA-N 613.692 5.073 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(Cc4ccccc4)n3C)cc2s1 408980997 HBZYCVLKLHDUSR-UHFFFAOYSA-N 592.728 5.956 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408990076 VELOZRXTXVEUNV-MXLMUYMQSA-N 856.920 7.443 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409076678 BPLOYALQMHCVLC-INJWXVQMSA-N 698.548 5.145 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4Br)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409083816 UOEBHOCGPPZDQL-OOIQZMFUSA-N 587.426 5.798 5 40 KKBB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409095017 GJFJRIHQJXQOPI-IDUWFGFVSA-N 598.169 7.210 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c1 409273426 QTZXFHZISNJPJA-ZVHZXABRSA-N 517.563 5.466 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)o2)c([N+](=O)[O-])cc1C 409273736 RYAFWSHXNPMJFJ-FBHDLOMBSA-N 503.363 7.015 5 40 KKBB CC(C)C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 409361842 QVPXZOXCIWMGBB-IBGZPJMESA-N 551.456 5.278 5 40 KKBB Cc1oc2c(C)c3oc(=O)c(CC(=O)N4C[C@@H]5C[C@H](C4)Cn4c5ccc([N+](=O)[O-])c4=O)c(C)c3cc2c1-c1ccccc1 1547206031 JSLVYTRTXPUTBZ-IRLDBZIGSA-N 579.609 5.390 5 40 KKBB biogenic O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 832728 CCJOLOSYOLPDCX-AGTZKDDFSA-N 558.546 5.031 5 40 KKBB Cc1ccc(NC(=O)[C@H](OC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c2ccccc2)c([N+](=O)[O-])c1 12543006 NTCPBWPGAYXBNC-XMMPIXPASA-N 518.957 5.647 5 40 KKBB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59331427 MBVXCRNYGNEWJS-UHFFFAOYSA-N 516.583 5.224 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc4c(c3)OCO4)CCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 97983840 VXGNXCVRIIXHSM-XQAZSIOPSA-N 610.623 5.326 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 100656018 LMAQIYCMSJFVFQ-LWFYKLESSA-N 543.579 5.037 5 40 KKBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1F 102754990 NSKVQDNPYBRCIR-NJDAHSKKSA-N 502.285 5.092 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 103529081 KYSWBXRMYWBYRO-DZDVJMQSSA-N 559.553 5.716 5 40 KKBB Cc1ccc(NC(=O)[C@@H](Sc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)c2ccccc2)c([N+](=O)[O-])c1 104148147 NTSJZBCXKJKDOJ-SANMLTNESA-N 562.611 5.722 5 40 KKBB CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1 150484500 XKOVEMANISARDC-OYBLHVSXSA-N 634.714 6.552 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 163256056 ROPGMPVFPLMVAA-LXKZMGPHSA-N 645.737 6.213 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163683049 SBCSNVCEKXWMSN-IYVASWNSSA-N 651.053 5.069 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc(Cl)cc1 215004077 OAIIBEYQCOQBNW-YDZHTSKRSA-N 603.878 7.225 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 215213162 JJKYSKXTAZMROE-YDZHTSKRSA-N 602.406 6.024 5 40 KKBB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224322452 ZCWORRYNTOVTEK-FQEVSTJZSA-N 621.543 5.286 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224969432 OAUACFVJPNHCLG-XIFFEERXSA-N 658.752 5.628 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl 224972858 NKJPTVZBHFKFIF-JWQCQUIFSA-N 536.997 6.098 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 225295484 MWTCQPQJGDLBOA-DHUJRADRSA-N 668.816 6.188 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260938940 ILDGZJKSBCHJGV-HOFKKMOUSA-N 659.205 5.791 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c1)[C@@H]1CCCN12 408566796 OTSAWQZRBMEOAX-CWWSAELMSA-N 542.394 5.766 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 408567167 GQHZWQRKGFUPAG-XMMPIXPASA-N 557.445 6.475 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408569698 XBHZZJDLEQBYCL-GJECAEJISA-N 572.843 5.212 5 40 KKBB CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC 408571072 NGFDOVGVRWWKMV-IBGZPJMESA-N 507.410 5.164 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C(=O)O)o2)c1 408633451 NCGQWRADYFQCHP-KSEXSDGBSA-N 535.534 5.459 5 40 KKBB O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408663392 SCQZQHNWAZSVIJ-QXUFZFKLSA-N 633.871 6.703 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408688454 WIGVVWGWCLDEIM-ZYNNUQKQSA-N 658.536 6.252 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408734600 ZGYDCSLXBCCEHO-DKOMQPSQSA-N 584.437 5.273 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OCC 408738731 NGLRICPLJOBMHD-HVDVVURSSA-N 643.718 5.083 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 408771423 HZNBAOSJVBXZNE-MFCBUNOESA-N 853.498 6.217 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408844988 XLTLDVQWHBHPJP-HZHHUVPKSA-N 618.715 6.474 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c2=O)=N1 409033397 LEUIWIPLGUPQLA-LCQSEVKBSA-N 622.099 5.717 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c2=O)=N1 409039146 WLKIHDFDBSOYBX-LCQSEVKBSA-N 622.099 5.717 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc(Br)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409042732 ONDUTCBGESORRT-BIQRORRISA-N 555.428 6.398 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4Br)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409047616 PBZQJVFULKXJIB-OOIQZMFUSA-N 555.428 6.398 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 409099836 UJOIDJGJKBOYHI-XGLKJEJJSA-N 566.126 6.063 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409127173 CXRLDPJJGGOCAQ-LFVJCYFKSA-N 630.460 6.456 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)ccc1Cl 409173858 KVHZDCWMUQGGBO-ZMOGYAJESA-N 596.017 5.679 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(F)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 409182730 ORXMXSXANLKUSX-OFRZWCKSSA-N 680.688 6.940 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 409192531 DSPTVHPMLXNQRC-BISNYGKSSA-N 832.542 6.729 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccccc1Br 409350582 YPHGHCBCZJYQKJ-CFRMEGHHSA-N 591.443 6.035 5 40 KKBB c1ccc(CSc2nnc3c4c5c(sc4n4c(SCc6ccccc6)nnc4n23)CCCC5)cc1 2266469 PCIATNYONKYYEW-UHFFFAOYSA-N 514.705 6.450 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cc3ccccc3cc2O)n1-c1ccccc1 6280758 OBYWLBHSQORTPX-UHFFFAOYSA-N 511.563 5.741 5 40 KKBB COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC2 9391262 GTZMTZSYIZHFTG-JOCHJYFZSA-N 500.910 5.223 5 40 KKBB COCc1c(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)sc2cccc(F)c12 12933702 JNKLTKNBZVHGFA-QHCPKHFHSA-N 508.527 5.940 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 100830918 ARFPDNHPVKDBPQ-UHLQNUQBSA-N 541.563 5.451 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C 101346878 UFKGMYQGNGEPHM-MYYYXRDXSA-N 547.589 5.556 5 40 KKBB C[C@H](Nc1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc1[N+](=O)[O-])C2=O)c1ccccc1 102415392 SYOCSCGDXHZTRO-ROUUACIJSA-N 572.599 5.927 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1Cl 105250999 HGNALJGVCRJYKP-UHFFFAOYSA-N 569.283 6.844 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112231787 GTWHQFWZNUDYDN-UHFFFAOYSA-N 537.985 5.020 5 40 KKBB O=C(O)c1ccc(Cl)c(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 224789367 HOHSOCFBDDWAGN-FQLXRVMXSA-N 629.119 7.930 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225134929 RDQUSURQYYHGDU-GDLZYMKVSA-N 627.163 5.700 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225206828 NJRIKAGBVMQVPV-JOCHJYFZSA-N 657.587 5.419 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225237554 YQRFXSPSTBCDLT-XMMPIXPASA-N 613.564 5.232 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl 225251366 SPSLTJYALYLSPA-CLJLJLNGSA-N 563.039 5.196 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225294233 LKBMIQJKBCLLKL-XIFFEERXSA-N 642.778 5.655 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261004929 FUJVRSKRZXNRAZ-CMVGPNDKSA-N 642.778 5.653 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)cc1C 408566281 FFOPKAOIBDXHIV-RUZDIDTESA-N 553.482 6.644 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 408568680 IGTGGGIJJHRZOZ-XMMPIXPASA-N 528.993 6.066 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408640637 BFWDOOGOEIASRV-HDDXADFGSA-N 608.434 5.965 5 40 KKBB O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408843449 MSXMEKQKSSTDSX-CAOOACKPSA-N 753.233 9.420 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409040444 XTQZFZNNFRDKGP-GWRYVSOYSA-N 801.510 6.606 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4cc(C)c(C)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409047219 NVNZYWBVOXQSDP-PEMRLZPOSA-N 536.584 5.652 5 40 KKBB COCCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409126414 FVAQOZUTZZRADU-LICLKQGHSA-N 666.231 5.066 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4Cl)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409142966 SJTGQYSSMUCIQX-PIXWUVMMSA-N 604.084 5.247 5 40 KKBB COc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 409148102 OMUBCBYHBWUMSX-PGUFJCEWSA-N 699.001 8.960 5 40 KKBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n[nH]1 409151837 CHVPGRPKICKYRS-DEOSSOPVSA-N 542.706 5.426 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409179205 QIQOCPSGDAUISI-HEVIKAOCSA-N 644.592 7.065 5 40 KKBB Cc1ccc(-c2cc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c3ccccc3n2)cc1C 409184187 XWBFCCCVAUWVGF-UHFFFAOYSA-N 504.542 7.576 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(OC)cc1 409274459 DEQKSQPTILUFQJ-IEIVDPGYSA-N 638.746 5.089 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409275896 MRAYOEWWKBIOSJ-OGLMXYFKSA-N 583.622 6.401 5 40 KKBB COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)c2)cc1Cl 3305744 SFOPENNXGWLDRK-UHFFFAOYSA-N 583.431 5.582 5 40 KKBB Cc1cccc(Oc2cc(NC(=O)c3cc(I)cc(I)c3I)cc([N+](=O)[O-])c2)c1 8427364 KWAIIYICHPUBBG-UHFFFAOYSA-N 726.046 6.762 5 40 KKBB CCCCn1cc(OC(=O)c2ccc(OC)cc2)c2c1nc(-c1ccc(OC)cc1)n1c3ccccc3nc21 9308917 LIBSQHZVOBDIHQ-UHFFFAOYSA-N 520.589 6.541 5 40 KKBB C[C@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1CCc2ccccc21 12540535 BXWVZWQDJWZWPM-HNNXBMFYSA-N 516.497 5.899 5 40 KKBB CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 12657717 XBRAOICAFOJPIX-JOCHJYFZSA-N 530.625 6.173 5 40 KKBB CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5[C@@H](C)O)c(C)c4[C@@H](C)O)C(C)=C3CCC(=O)O 18163300 KFKRXESVMDBTNQ-WOJBJXKFSA-N 598.700 6.629 5 40 KKBB biogenic,in-vitro O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F 97999673 UJVLNYRBWUCZLT-BJKOFHAPSA-N 615.971 7.777 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc3ccccc3n2)n1-c1cc(C(F)(F)F)ccc1Cl 98008160 UXQDOQXZPHTDDZ-UHFFFAOYSA-N 598.994 7.102 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1 100949639 LXSBDGTXASLBKB-SCRHHBKZSA-N 526.014 5.998 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1cc(Br)ccc1Cl 101176890 SWSDSTQLXHRNQQ-QLTSDVKISA-N 583.870 5.488 5 40 KKBB Cc1cc(C)cc(N2C(=O)[C@@H](C)S[C@@]23C(=O)N(CN2CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC2)c2ccccc23)c1 101514937 MEPMRLKYLAPBKL-DFXYEROKSA-N 625.673 5.678 5 40 KKBB COc1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1COc1ccc([N+](=O)[O-])c(C)c1 102406660 JHPCWZRCVASGRX-UHFFFAOYSA-N 607.571 6.295 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc(C(C)(C)C)cc1 102811286 BORYWJSVAYBGJG-MUGXBBEHSA-N 526.637 5.370 5 40 KKBB COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 105052124 OFFMEDMTSVIENM-UHFFFAOYSA-N 543.420 6.752 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 150395250 OIMGHFVUIQJQLZ-KUSDHMTMSA-N 637.670 5.121 5 40 KKBB O=C(Oc1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(Br)c1)c1ccc(Br)c([N+](=O)[O-])c1 150410039 FOWXJVDMTSTQSO-UHFFFAOYSA-N 645.010 6.229 5 40 KKBB Cc1ccc(C)c(-n2c(CNC(=O)c3ccc([N+](=O)[O-])cc3)nnc2SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(F)cc2)c1 150411056 CMBKOIAYFDLUMJ-MUUNZHRXSA-N 669.764 6.393 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 215008455 MQIUKVWHHJZMJZ-FSJBWODESA-N 589.504 6.949 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222919090 XDIIFXXDWFJYOJ-YTTGMZPUSA-N 697.641 6.509 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223432395 BISPNZVHQGFHKM-WJOKGBTCSA-N 697.185 5.676 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224492161 PDYMWCGBZVGGJI-AREMUKBSSA-N 598.563 6.145 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 224691224 CUVCIYSROWAZRZ-XZWHSSHBSA-N 548.624 7.528 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224765069 TYFBSPOXDYIXFO-QFIPXVFZSA-N 613.136 5.310 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225194354 GVOAGOREHIKMQB-LJAQVGFWSA-N 610.708 5.186 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225212450 CKTFBFSEPWMEFC-QHCPKHFHSA-N 701.640 5.736 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NS(C)(=O)=O 225469734 BFNWKDTWQNYKFM-LOSJGSFVSA-N 549.634 5.107 5 40 KKBB CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 253376053 RWNXCLOGXUGYJO-HXLKRRFRSA-N 599.643 6.365 5 40 KKBB CC1=CCCC(C)(C)[C@H]1/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C 255195101 ANVAOWXLWRTKGA-HDFPNOMBSA-N 536.888 12.462 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261051269 MBPDEYLJZOBUJN-MGBGTMOVSA-N 776.139 7.480 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Br)cc1 408556241 JCULVMAYNLPXOE-UHFFFAOYSA-N 536.220 6.710 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)cc1 408565695 CUKGPFVAKRDQRO-RUZDIDTESA-N 508.575 5.803 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Br)cc1 408571401 OQBZVUWAFZOWHR-RUZDIDTESA-N 569.481 6.426 5 40 KKBB O=c1/c(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408756855 UJCLSGWCALOKRZ-UTAOYMJKSA-N 571.658 5.806 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408784945 DPKKIHMOVZRVDV-IQPMGOHCSA-N 694.209 7.200 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408822905 CLSKLMGJGBSYCP-UPWSPCOFSA-N 804.457 6.051 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408832290 RVCRMIIKPNUBQH-UQDCTOEPSA-N 678.561 5.365 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OCc1cccc2ccccc12 408832553 REBXNDOKOYCGSD-DKRDTAIRSA-N 730.640 7.730 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cc(Br)cc(Br)c1O 408841479 HGPJDYGKSVCNBO-UUILKARUSA-N 558.591 6.038 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OS(=O)(=O)c5ccc(C)c([N+](=O)[O-])c5)cc4)c(=O)n32)cc1 408856547 JAWAVGZGKCKBMS-WXKAHTKJSA-N 710.790 5.257 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl 409155444 RDFUYJJKUFMNRV-ZMFRSBBQSA-N 683.095 5.516 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409159742 WWIZSLODXCXTQM-MFKUBSTISA-N 547.589 5.556 5 40 KKBB O=C(Oc1cccc(-c2cnc3ccccc3n2)c1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409183320 RLLDAPGYHXWTBS-UHFFFAOYSA-N 511.515 5.257 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)ccc1Cl 409207296 RLBYQXKQCWNQJE-LGJNPRDNSA-N 640.070 6.078 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409272236 MUAMCWLBOWFLNZ-UCQKPKSFSA-N 510.955 6.467 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1cccc2ccccc12 409274673 FPCGKQYFIKETIM-WGOQTCKBSA-N 539.569 6.002 5 40 KKBB CC(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccc([N+](=O)[O-])cc3)S2)cc1 2049251904 JAHMOCIPIKTUPZ-UIOOFZCWSA-N 576.078 6.550 5 40 KKBB O=C(Nc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8688014 LCIUHJNDXFCGLP-UHFFFAOYSA-N 520.545 5.791 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@H]2C(=O)N1c1ccccc1 13776667 ZKZRMTNQMHPEDV-DSNGMDLFSA-N 515.909 5.559 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 14274726 MVBZJSKDHDUDRW-UHFFFAOYSA-N 515.595 5.747 5 40 KKBB Cc1ccccc1[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1 22429778 HSWXCCFJBITEKP-NDEPHWFRSA-N 515.591 5.004 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 100364976 FYAPHYXEUMIKMG-YDZHTSKRSA-N 559.427 7.116 5 40 KKBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc2ccccc12 102758590 XPVKFGFAWTVPEG-UBFVSLLYSA-N 534.355 6.106 5 40 KKBB O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 102871719 NZYFSQLOPMUSLX-QKDODKLFSA-N 553.502 5.004 5 40 KKBB O=C(NC(=S)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 161944523 PEFDLEDBXOVHRS-UHFFFAOYSA-N 677.400 6.360 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163740622 DEOWMDYJTYFCTI-ZSJKCPIUSA-N 717.103 5.094 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223262311 WIASPXCCUCCSSL-AJTFRIOCSA-N 519.667 5.383 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12 408566818 OYWXSGZYCTZSON-SYUNVOKESA-N 614.496 6.244 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl 408571133 NSSNYGDNHGQGJU-MHZLTWQESA-N 553.084 6.934 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(Br)c2)c1 408572441 REEACILWSGQUTE-MUUNZHRXSA-N 589.515 7.489 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1ccc(Cl)cc1 408572606 RLTJKKUDQMDHCV-QHCPKHFHSA-N 577.863 6.820 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408686935 SSFOUDUJDHPMGU-TUSFPTNYSA-N 703.533 6.161 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(Cl)cc3Cl)c2=O)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732837 UCDOJZRWGZVKHK-QVPVGFNESA-N 654.528 5.710 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)ccc1Cl 409169057 OMGGLOVZAHDNPC-CFRMEGHHSA-N 646.530 7.295 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1N1CCOCC1 409205447 CRHPNJFGMOIKGC-QQXSKIMKSA-N 653.511 5.448 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409275780 WUCFVWNXVKOPQA-WYMPLXKRSA-N 569.542 5.526 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409276691 VEDTXDGHLBEGLP-YDZHTSKRSA-N 553.390 5.856 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSCC(=O)Nc3cccc4ccccc34)cc2s1 409336147 MPRBAVJQAQFVJG-UHFFFAOYSA-N 604.735 6.969 5 40 KKBB Cc1ccc(NC(=O)c2cccc(N3C(=O)c4ccc(Oc5cccc([N+](=O)[O-])c5)cc4C3=O)c2)cc1C 3142891 OWSPFUJTQXNMRA-UHFFFAOYSA-N 507.502 6.057 5 40 KKBB O=C(Nc1cc(Oc2ccc(Cl)cc2-c2ccccc2)cc([N+](=O)[O-])c1)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12 8431456 GBAMSVKBWHWUQR-UHFFFAOYSA-N 708.878 9.451 5 40 KKBB CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4N=C5/C(=C/c6cccc([N+](=O)[O-])c6)CCC[C@H]5[C@@H]4c4cccc([N+](=O)[O-])c4)cc3n2)cc1 8455494 MBSGEDBJNZKSIR-DANLVPJQSA-N 709.685 8.792 5 40 KKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 8895152 GFOJZUZHIGCCRG-HWKANZROSA-N 510.786 6.650 5 40 KKBB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 12311554 IPIWAEWVWTVUIZ-UHFFFAOYSA-N 501.442 5.686 5 40 KKBB O=[N+]([O-])c1ccn(Cn2nc(-c3ccc(Br)cc3)cc2-c2ccc(Br)cc2)n1 13960670 KWXVRGYQFRXEEQ-UHFFFAOYSA-N 503.154 5.353 5 40 KKBB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2cc(C)c(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 16779611 HYIGLTYGKAKKRD-UHFFFAOYSA-N 523.567 5.142 5 40 KKBB c1ccc2cc3c(N4CCN(CCN5CCN(c6ccnc7cc8ccccc8cc67)CC5)CC4)ccnc3cc2c1 33353750 DJSWKAQEKBRZAO-UHFFFAOYSA-N 552.726 6.034 5 40 KKBB biogenic Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1NC(=O)c1cc2ccccc2o1 100301765 ABLXMMKTNUJXHU-UHFFFAOYSA-N 553.394 5.791 5 40 KKBB CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1 102762435 FVWZUVLOVQAJFF-TZRRMPRUSA-N 507.930 5.088 5 40 KKBB C[C@H](NC(=O)COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCCC2 102904949 VNUUPQVDADXLOT-KRWDZBQOSA-N 535.984 5.414 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 103532323 OZHQHXSCWYIWIL-RACNZAJVSA-N 541.563 5.577 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 103841566 HPCBQBBNCRNBJX-HRIDGTDGSA-N 549.583 5.626 5 40 KKBB Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 103892715 WHIJGWLTQZYREM-UHFFFAOYSA-N 612.762 7.100 5 40 KKBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105311658 VZNVHYUFBCYZGC-UHFFFAOYSA-N 588.498 6.142 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1[N+](=O)[O-] 105312783 PELUONXGLSFZOE-UHFFFAOYSA-N 534.594 6.061 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214086474 WHFIAIQEZYYGCQ-ZVHZXABRSA-N 524.982 6.462 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl 215105141 GOKADUOFHFJRCV-UFFVCSGVSA-N 552.889 7.435 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222798698 WVVRCQFBLGHBTJ-LJAQVGFWSA-N 655.560 5.483 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224456818 SIKDCBSSKLJFBG-AREMUKBSSA-N 574.530 6.301 5 40 KKBB COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224792350 JOWKYAVLOOVXFN-LOYHVIPDSA-N 607.717 6.895 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)cc1C 408573011 SDSANKNDQGDHAO-VWLOTQADSA-N 527.021 6.674 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1cccc2ccccc12 408573132 SPUODSVNKXLEOQ-XMMPIXPASA-N 531.406 7.080 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 408576614 XVZRZSJFYIIYCE-VWLOTQADSA-N 603.926 7.079 5 40 KKBB COc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OCc1ccccc1 408626041 ZDPHLWJRWNEGTA-UHFFFAOYSA-N 518.307 5.348 5 40 KKBB CC(C)(C)c1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)cc2)cc1 408639163 VRNDNDCZANQANO-HXUWFJFHSA-N 516.550 5.464 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408640075 HESJYUXJONBFAS-CLJLJLNGSA-N 601.999 5.049 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408730191 FXXYMZFYOSOWIZ-SUCLOZJKSA-N 690.664 6.241 5 40 KKBB Cc1c(Cl)cccc1NC(=O)CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1 408749675 ILVPXFDYMBLRLY-UHFFFAOYSA-N 557.009 5.848 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408854320 CLHLVHXPZQCZIT-OBDCIHEFSA-N 769.614 5.686 5 40 KKBB COc1ccc(N(CC(=O)NCCSCc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408924214 DMFFFFGGXQEKDC-UHFFFAOYSA-N 614.529 5.164 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)C2=O)cc1 409021591 OXACPPKYNVHQHP-WGOQTCKBSA-N 536.544 5.167 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(Br)cc4[N+](=O)[O-])C(=O)[C@H]32)c2ccc(C)cc2)cc1 409042736 ONDUTCBGESORRT-TUJIQRHUSA-N 555.428 6.398 5 40 KKBB O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 409057983 QUHJLBLHXQWSCV-UHFFFAOYSA-N 528.801 5.385 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409105471 KIMQROVUEXRKQX-MGXIGDRJSA-N 656.145 5.438 5 40 KKBB COc1cc([C@H](c2c[nH]c3ccccc23)C2C(=O)OC(C)(C)OC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409113877 GDQWEQQNCMXLNO-XMMPIXPASA-N 656.429 5.853 5 40 KKBB Cc1ccc(NC(=O)COc2ccc([C@@H]3N(Cc4ccccc4)C(=O)c4cc([N+](=O)[O-])ccc4N3Cc3ccccc3)cc2)cc1 409146954 LWNKXTVYKMFQRW-BHVANESWSA-N 612.686 7.282 5 40 KKBB CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409148168 XMOFVDGVRMUFBL-XMMPIXPASA-N 532.626 5.217 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409163824 YITNMXFZCGQJSO-SRZZPIQSSA-N 590.397 6.013 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O 409182307 KHEKXBJBBXGCAQ-UHFFFAOYSA-N 544.519 6.698 5 40 KKBB COc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCc1c(F)cccc1Cl 409269321 BEOPBMJKXUZRTD-WYMPLXKRSA-N 556.955 5.894 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)C1=O 409273572 JZNAFEOCHWHOGS-UUYOSTAYSA-N 507.524 5.155 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1ccc([N+](=O)[O-])cc1Cl 2251621 BUGBSSFBEKHFSJ-UHFFFAOYSA-N 522.742 7.224 5 40 KKBB COc1ccc(C(=O)Nc2ccccc2Nc2cc(-c3ccc([N+](=O)[O-])cc3)nn2-c2ccccc2)cc1 2631707 ZSCLLWATVKRWRG-UHFFFAOYSA-N 505.534 6.452 5 40 KKBB Fc1cccc2c(SCCCCCSc3c4ccccc4nc4c(F)cccc34)c3ccccc3nc12 5487934 LWTZCSPSCYGRDB-UHFFFAOYSA-N 526.677 9.422 5 40 KKBB O=C(/N=c1/c2c3c(sc2nc2n1CCCCC2)CCCC3)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12311204 DEJISYRQLOPABB-GNVQSUKOSA-N 505.644 5.343 5 40 KKBB CC(C)=CCC/C(C)=C\C=C\C(C)=C/C=C\C(C)=C/C=C\C=C(C)\C=C/C=C(C)/C=C\C=C(/C)CCC=C(C)C 32787688 OAIJSZIZWZSQBC-BUGFCKDYSA-N 536.888 12.938 5 40 KKBB CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@]2(S1)c1ccccc1C(c1cc(C)ccc1C)=NN2c1ccccc1 97953129 YMRLJSHHQUAYLS-HKBQPEDESA-N 547.640 6.750 5 40 KKBB COc1ccccc1N1CCN(CCCNc2cc3oc4cccc(C)c4[nH]c3c3c(=O)c4ccccc4c(=O)c23)CC1 102467735 GNNYXMRTKLSICA-UHFFFAOYSA-N 574.681 5.882 5 40 KKBB C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CC2)C(=O)Nc1ccccc1[N+](=O)[O-] 103081581 HLBROJSPCYTYNN-IYWFSZBXSA-N 562.409 7.121 5 40 KKBB O=c1/c(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 103790822 VMTMGPKKAFNDOW-MIUGUJGPSA-N 611.035 6.049 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)c1ccccc1C(c1cc(Cl)ccc1Cl)=NN2c1ccccc1 104496913 SJRWGKPJODRIGD-LJAQVGFWSA-N 588.476 7.440 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305722 UDDWITJYDVVHEJ-UHFFFAOYSA-N 552.081 6.642 5 40 KKBB O=C(Cn1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 106745279 RFPBPZIKVUEZOL-CFRMEGHHSA-N 530.537 5.564 5 40 KKBB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1Cl 108557694 VPFHSOFQQVQWEV-UHFFFAOYSA-N 514.350 5.925 5 40 KKBB CCOC(=O)[C@H](CC(C)C)NC(=O)c1c2c(c(C)c3oc(=O)c(C)nc13)Oc1c(C)c([N+](=O)[O-])cc(C(=O)N[C@H](CC(C)C)C(=O)OCC)c1N2 150382656 XOGADTAGGCEDNQ-YADHBBJMSA-N 709.753 5.286 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 150394946 LHQWPUSMSNGALL-KMCFWPMWSA-N 635.698 5.729 5 40 KKBB COC(=O)c1c(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C2=O)sc2c1CC[C@H](C(C)(C)C)C2 150437033 ZSYZZLHPWWHBHK-HONGJKJWSA-N 739.803 6.873 5 40 KKBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCc3cc(F)cc4c3O[C@@H](c3ccccc3)OC4)cc2[N+](=O)[O-])C1 195529881 FYYVHDDLHRDNTP-HPQBIULASA-N 520.557 6.181 5 40 KKBB C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222992452 UZJJLSPNGVIAFO-LJQANCHMSA-N 621.543 5.429 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223995713 OLULVEQEVCAWIJ-FQEVSTJZSA-N 712.052 6.543 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 225697397 HUEZVFMPVSBLAB-SVBPBHIXSA-N 527.606 5.560 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 261014392 HGLHBXAVYIZKPE-HHHXNRCGSA-N 665.596 5.089 5 40 KKBB O=C(O)/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408633706 LPMSLQHNTZPVKA-BKUYFWCQSA-N 508.943 5.830 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408686009 QWAUCSDSQZAIPJ-UHFFFAOYSA-N 557.148 6.201 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 408726298 MWQCJJDJFQTIJA-YIECNSLDSA-N 630.078 5.782 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(Br)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408954451 WXUSOOTVSDIPRU-ILLSWNIOSA-N 773.456 5.828 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409033604 FUEDSLPSNMINDE-UWRMONIRSA-N 672.543 6.069 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1Cc1ccccc1 409109634 IMHSJBIWKIOQIM-UMSFTDKQSA-N 624.524 8.842 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1cccc(Cl)c1 409160504 QNXKKBULRQPYJB-MSXFZWOLSA-N 546.992 5.926 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 409180201 UVNZDBVMIQMNNS-UHFFFAOYSA-N 620.570 7.802 5 40 KKBB O=C1c2cc(I)ccc2N[C@H](c2ccc([N+](=O)[O-])s2)N1c1ccc(Cl)cc1 2085847 BBLZYAOITYHMLV-KRWDZBQOSA-N 511.728 5.685 5 40 KKBB CC(C)(C)c1ccc(-c2nnc(-c3cc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc([N+](=O)[O-])c3)o2)cc1 3849481 MGUSKFOMSUVXOA-UHFFFAOYSA-N 523.593 7.624 5 40 KKBB biogenic COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@H]2C1=O 5957607 KJUKQSBCDHJAIR-JKQCNGOWSA-N 501.583 5.918 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 96022820 VPRGRGQLRLNGBU-ZFEPTCRASA-N 540.834 7.992 5 40 KKBB Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 100239260 IPNOEJKGVICOJE-INXMUBLWSA-N 543.620 5.146 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 100358608 KGBYRBPPUKAQJM-LSHDLFTRSA-N 599.370 7.958 5 40 KKBB O=C1N(c2cccc(C(F)(F)F)c2)C(=O)N(c2cccc(C(F)(F)F)c2)[C@]2(C[N+](=O)[O-])CCCCCN12 102935555 LFVJTUDKUUSIBY-NRFANRHFSA-N 530.425 6.140 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 102973917 JFELFLNYZSCLDO-UHFFFAOYSA-N 521.787 5.139 5 40 KKBB O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 105319489 MKOMDZLWMQWEFJ-UHFFFAOYSA-N 533.201 6.649 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214835750 SYFFIGSSZBBJRM-JFLMPSFJSA-N 571.567 7.084 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(Br)s3)cc2)cc1 224761452 OYYFXWYVFYUIDF-XZOQPEGZSA-N 569.531 7.142 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3Cc3ccccn3)cc2)cc1 224785044 YKNIAFXBBINVAI-VMPREFPWSA-N 564.696 6.563 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225224243 JSOPCSNWZVGJSZ-LJAQVGFWSA-N 661.608 6.353 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225326146 CCUVVBSFCYENMJ-LEWJYISDSA-N 665.596 5.746 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260866600 JOZMTRLUSVDFDW-HHHXNRCGSA-N 635.570 5.141 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260913586 KVVGRKWQARFRTR-GDLZYMKVSA-N 701.640 5.221 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 260968832 IKGRKPPTZWAPNJ-GDLZYMKVSA-N 671.614 5.131 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1Cl 408639524 FTRGUFSJVINSIQ-WVZRZZCNSA-N 720.991 6.588 5 40 KKBB Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 408647656 JONVTDQTWIPQJV-HSZRJFAPSA-N 566.566 6.267 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408733143 FDWJTOSBQLUMHV-QFMXGDCESA-N 725.109 6.895 5 40 KKBB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408844371 NWIOIEXZFQIAOE-CAOOACKPSA-N 708.782 9.311 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408851233 WPQLNTMJTOLXMI-UNDLXJOSSA-N 613.692 5.073 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408939099 MVBNXLAOJNWQRB-SZYVSPPHSA-N 818.484 6.440 5 40 KKBB O=C1Nc2ccccc2S/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 409103849 ZGXUVGGIHMGDRG-BRPDVVIDSA-N 515.594 7.805 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)ccc1Cl 409150413 BTWDUUSZCPPBSS-NVMNQCDNSA-N 538.365 5.143 5 40 KKBB COc1c(Br)cc(Br)cc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409270649 HWRXNAKCRWVGQK-FRKPEAEDSA-N 556.188 5.048 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)c1ccc([N+](=O)[O-])cc1 409273596 KGWCZFFHUOINJP-SSDVNMTOSA-N 550.461 5.123 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409330768 LYAKISMWDLBFCT-DHRITJCHSA-N 592.586 6.102 5 40 KKBB CCOc1cc(C(c2c(-c3ccc(C)cc3)n[nH]c2O)c2c(-c3ccc(C)cc3)n[nH]c2O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409374203 YQOSYESWNCGKAD-UHFFFAOYSA-N 710.585 8.323 5 40 KKBB CCC[C@H]1c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2N=C2C(Nc3ccc(C)cc3)=Nc3ccccc3N21 2343032 GZVGRDREJJDUNX-VWLOTQADSA-N 505.582 6.944 5 40 KKBB O=C(CSc1nnnn1-c1ccccc1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 3671065 NPXGOBICLRIWLN-UHFFFAOYSA-N 535.636 5.203 5 40 KKBB O=c1c(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)cc2cccc3c2n1CCC3 79474884 PURRUKKURJOOAT-UHFFFAOYSA-N 520.589 6.565 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 100352721 VQVOKINOJHJTMS-RFHSWFGCSA-N 598.995 5.638 5 40 KKBB CCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(I)ccc4Br)nc3c2)cc1[N+](=O)[O-] 100358554 COTYMXOKVWPLAB-UHFFFAOYSA-N 608.186 6.421 5 40 KKBB COc1ccc(C2=NN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@H](c3ccc(Br)cc3)C2)cc1 100562283 XXRPIMQQACYWKT-QFIPXVFZSA-N 525.315 5.266 5 40 KKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl 106683310 AGNNBIJOKIEBFB-MTJSOVHGSA-N 517.415 7.289 5 40 KKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc2ccccc12 106720466 ARWYHONLAASTEH-MYYYXRDXSA-N 533.030 7.789 5 40 KKBB CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 167678841 ZCSWLDGGOCOHNR-AREMUKBSSA-N 588.715 6.255 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223664015 GZQYLQHLSNMCDY-ZOYWYXQUSA-N 646.741 5.484 5 40 KKBB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1)c1cccc([N+](=O)[O-])c1 224822139 PBVLHNMFJARWAF-UHFFFAOYSA-N 515.547 5.713 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224969367 PDYFKXFPRFSEIJ-XIFFEERXSA-N 658.752 5.628 5 40 KKBB CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 248338520 RPAXCEFFCPZUKA-DQGIEBHESA-N 597.671 6.794 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc(Cl)cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 248340323 UTSKPBSVUGXZSY-YUAOJYLXSA-N 590.035 6.494 5 40 KKBB CCOc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 408527737 HHGBRMQROXYVJS-DHUJRADRSA-N 648.741 7.469 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)cc2)cc1 408570310 KWUBDHATJUEBCB-MUUNZHRXSA-N 510.619 6.726 5 40 KKBB Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])c4nonc34)nnc2-c2cc(Br)ccc2O)c(C)c1 408605921 NNLPJHNSWVIYIP-UHFFFAOYSA-N 539.371 5.615 5 40 KKBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1 408634438 RFQYQGGFYMYWTQ-UDWIEESQSA-N 546.413 7.321 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408638282 QSYDSXGKCXBPIB-VWLOTQADSA-N 602.599 7.112 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 408728485 NGIMQIKLNYSHRB-OFRZWCKSSA-N 697.143 7.454 5 40 KKBB O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408841373 FNAIWVKWKQBRJS-MRVXSSNZSA-N 609.841 7.454 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408845060 DZZKYDXQZFXGIO-PRLWALMFSA-N 587.654 5.062 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409089756 JWLHXBHGPNISDN-INJWXVQMSA-N 682.549 5.445 5 40 KKBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409093705 AOXICFFOJTVIMK-LBFZPMSMSA-N 555.790 5.188 5 40 KKBB COc1ccc(OC)c([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)c1 409111235 BAAUJSYNXCDYHD-LJAQVGFWSA-N 509.562 5.973 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409238587 KKKWDTUFRBUTFI-YDZHTSKRSA-N 559.427 7.116 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1cccc2ccccc12 409273385 QJBDZQHDIHIFCT-YDZHTSKRSA-N 578.400 6.446 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1/C=C\c1nc(O)c([N+](=O)[O-])c(O)n1 409338516 LFINHFWKQXUZOO-BHQIHCQQSA-N 543.208 5.448 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl 409355138 JEWUOHIXHHVCKM-NRFANRHFSA-N 545.065 5.416 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccccc1 3347321 ARWMTIPAXJAYOA-UHFFFAOYSA-N 537.532 5.108 5 40 KKBB CC(=O)Nc1ccc(-c2nc3c4cc(I)ccc4c4ccc(I)cc4c3[nH]2)cc1 6014815 AYLQFSPOTYSEKX-UHFFFAOYSA-N 603.201 6.704 5 40 KKBB O=[N+]([O-])c1ccc2[nH]c(=S)n(/C=C(\c3ccc(Cl)cc3)S(=O)(=O)Cc3ccc(Cl)cc3)c2c1 8651930 DBWVHDCADROUMD-CIAFOILYSA-N 520.419 6.484 5 40 KKBB Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)oc2c1 8835301 GEIYLGGFCDVVLS-UHFFFAOYSA-N 515.595 5.829 5 40 KKBB O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 8835663 MZUUPEVMVWNHJX-UHFFFAOYSA-N 500.536 5.163 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 8973922 BVJVHLGHIWYVMX-KEZOAJOQSA-N 509.787 5.999 5 40 KKBB COc1ccc(C2=NN(c3nc(-c4ccc(C)cc4)c4ccccc4n3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 9446250 NYSFCESTSIHLOY-GDLZYMKVSA-N 515.573 6.878 5 40 KKBB C[C@@H](Nc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 9720428 VLMZNHSRMDNQGA-HWWKNPRSSA-N 506.622 5.713 5 40 KKBB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 15982126 ZOLSUBBQPNKUSF-HSZRJFAPSA-N 518.923 5.769 5 40 KKBB O=C(CSc1nnc2c3c4c(sc3n3c(SCC(=O)Nc5ccc(Br)cc5)nnc3n12)CCC4)Nc1ccc(Br)cc1 97999625 UXCNMSWLACDDNX-UHFFFAOYSA-N 744.520 6.462 5 40 KKBB O=c1c2ccc3c(=O)n(C4CCCCCCCCCCC4)c(=O)c4ccc(c(=O)n1C1CCCCCCCCCCC1)c2c34 100286027 RRVWTJQKBULFLV-UHFFFAOYSA-N 598.828 8.757 5 40 KKBB O=C(COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 100347222 VHTAZTLTTWBCEI-UHFFFAOYSA-N 616.029 8.357 5 40 KKBB CCOC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 101633520 YKIPXVHGPGCIEB-MFOYZWKCSA-N 555.790 5.189 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103531354 QZCMMIUCUBLAPD-PBNWVGGGSA-N 576.008 6.230 5 40 KKBB O=C(C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(C=CC(c3ccc(Cl)cc3)=NN2c2ccccc2)S1)c1ccccc1 103697082 ICLQKQUGKORNEK-SSEXGKCCSA-N 566.042 7.132 5 40 KKBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 104059190 BSYIHBQFXRTASG-ULNSLHSMSA-N 579.565 5.182 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 105303356 WISUJUOGHGAFOJ-UHFFFAOYSA-N 527.027 5.739 5 40 KKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105312858 CUZHUMOLCKZESZ-UHFFFAOYSA-N 556.600 6.922 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 163749655 PORFSJKSBCWGDW-FJNIOPPGSA-N 658.689 5.539 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223816132 JSPIXBDORVHTAE-BCHFMIIMSA-N 542.463 5.999 5 40 KKBB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224705134 QQJNSAMAHIURNL-KRWDZBQOSA-N 534.476 5.067 5 40 KKBB Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224789066 NKBCIVXMVRWZPV-XZWHSSHBSA-N 608.701 7.585 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225237566 MKELBVDEQNTHCW-MHZLTWQESA-N 631.151 5.094 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225697742 GIGLOLYAAZCYFX-OPAMFIHVSA-N 526.486 5.857 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N23)c1 248341994 XDKVONHITCMNLZ-FKGBSIOTSA-N 585.616 5.850 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 408564977 AVIOARJXYCAYBM-LJAQVGFWSA-N 556.644 6.435 5 40 KKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1c[nH]c2ccccc12 408576568 XSIGNTCNCVAMHZ-DEOSSOPVSA-N 501.380 7.071 5 40 KKBB Cc1ccc(Sc2ccc(/C=C(/Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)O)cc2[N+](=O)[O-])cc1 408631747 BMYGPQJNCLTUST-FYJGNVAPSA-N 525.011 6.711 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408632076 DDIPOSKAICCMLC-BKUYFWCQSA-N 510.959 6.313 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408642336 MWCLSTHMPSRGPP-GOTSBHOMSA-N 561.978 5.456 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1 408824912 BVDUYNVUZPWKLD-JQTKYWOZSA-N 595.608 5.243 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccc(F)cc1 408880246 FPKLRVZNMXCMHW-NHDPSOOVSA-N 665.291 6.513 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(I)c4)c(=O)n32)cc1OCC 408936175 OOOYCAWLIYGWMM-MKTOWPBFSA-N 820.456 5.670 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(F)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408940034 JCMBOZVGNMCLCG-ILLSWNIOSA-N 712.550 5.204 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409045420 PMOHLBKLUPFSKY-IVRZUQNJSA-N 801.068 5.652 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(Cl)cc1 409173182 HGJAVMBNRQHPCZ-UFFVCSGVSA-N 656.820 7.497 5 40 KKBB Cc1c(Cl)cccc1N1C(=O)c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O 409179599 QOJAVZRSFSXFKE-HHHXNRCGSA-N 554.942 6.138 5 40 KKBB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 12559661 KOSDZVKENJHQKY-BOUUOEDISA-N 516.941 6.593 5 40 KKBB Cc1ccc([C@@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1 22429785 SISXPAGVGRJEMA-NDEPHWFRSA-N 515.591 5.004 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 33674325 GOKJLWIMMWFKNK-ORTYHBFFSA-N 520.416 7.584 5 40 KKBB CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 44670684 HRELTWISDRPGBX-ZDUSSCGKSA-N 531.468 5.577 5 40 KKBB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 57312959 NWDOSHPXFPCVDL-NTCAYCPXSA-N 507.546 7.747 5 40 KKBB COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)cc1OC 70708247 XIVQZSSTRPPFCT-MRXNPFEDSA-N 553.571 5.032 5 40 KKBB biogenic O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2cccs2)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 103519770 QLVSTNCGMUSMBH-YUUTYDCPSA-N 547.592 5.638 5 40 KKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 112240085 PHVXLYXODNRDDA-UHFFFAOYSA-N 552.012 5.328 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 112244366 HUZDKFRAUPOQDN-UHFFFAOYSA-N 580.066 6.143 5 40 KKBB CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1 118913751 GVEAYVLWDAFXET-IKYPREKPSA-N 572.875 6.111 5 40 KKBB in-vitro O=C(Nc1ccc(S[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 150399486 ROCOCVDUKNEPLD-JGLOVSNRSA-N 667.747 7.958 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 161911243 MCZYOHGXFUZGOZ-UHFFFAOYSA-N 610.216 7.781 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)o1 224943591 KIRKITRXSUQRIP-LOSJGSFVSA-N 565.449 6.506 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl 225139374 DDEDKYPKLBWCQD-FTJBHMTQSA-N 561.067 6.206 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 408565373 JZOBSECKBNTFIC-JDKFTNMGSA-N 516.356 5.280 5 40 KKBB Cc1ccc(COc2ccc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(C)c(C)c3)cc2Br)cc1 408575427 WFQPOPJZUIMWOB-AREMUKBSSA-N 567.509 6.953 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)c1 408648704 YNCRHPRGISKYEN-UHFFFAOYSA-N 535.553 5.303 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408686920 SRHXWWKASDSZDD-TUSFPTNYSA-N 692.981 6.906 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@@H]12 408719516 FMRLWFBDFREYPB-OIOCTNRISA-N 536.584 5.709 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408837376 DMLZXZFVUVTSHN-USDTVRPUSA-N 603.672 6.009 5 40 KKBB O=C(Cc1ccccc1)Oc1ccccc1/C=C1/N=C(c2sc3cc([N+](=O)[O-])ccc3c2Cl)OC1=O 408840533 ZDJDZSSNSYDVDP-CPNJWEJPSA-N 518.934 5.956 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(Oc3ccccc3)cc2)N1Cc1ccccc1 409134736 XLCUWBPIHGKKHC-MGBGTMOVSA-N 541.607 7.749 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409152651 KTBTXXULANCXME-OAQYLSRUSA-N 581.482 5.380 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409172967 JUXVWSSNTBDBIL-UHFFFAOYSA-N 592.379 6.071 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc(Br)c(Cl)c1 409201965 RPPGHABPOOEMQN-ZVBGSRNCSA-N 633.820 6.386 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409234967 BMQQGFLCRQTQJN-DEDYPNTBSA-N 551.415 5.408 5 40 KKBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccccc1OCc1ccccc1Br 2084951 FZOXPSLYOLERMX-JAIQZWGSSA-N 513.731 5.934 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cnn4c(C(F)(F)F)cc(-c5ccc(Br)cc5)nc34)cc([N+](=O)[O-])c2)cc1 8430267 UPKJGZXADBYQDF-UHFFFAOYSA-N 642.388 7.529 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 9319402 UNVCFEQCMWMNQQ-VIJSPRBVSA-N 515.525 5.146 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 12524406 DMPUUBXDPAHJAF-ICTSSJGQSA-N 502.527 5.054 5 40 KKBB Cc1oc2cc(OC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)ccc2c(=O)c1-c1ccc([N+](=O)[O-])cc1 97949630 UCDAEUUPWYPHHL-VWLOTQADSA-N 544.560 5.923 5 40 KKBB O=C(c1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1 100315235 VDPSYGQWNHECRC-UHFFFAOYSA-N 529.822 5.585 5 40 KKBB O=C(c1ccccc1)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccco1 102527535 OMNFCTJKSGXYMP-PBBNMVCDSA-N 505.530 7.052 5 40 KKBB Cc1ccc2oc3cc(NCCCN4CCN(Cc5ccc6c(c5)OCO6)CC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 102859784 BZBMZWZHDMFPGK-UHFFFAOYSA-N 602.691 5.598 5 40 KKBB O=C(C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)SC(c1ccccc1)(c1ccccc1)c1ccccc12)c1ccccc1 103768795 AYTXSFZVRFZKAP-UMSFTDKQSA-N 585.710 8.194 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1 150365343 YUBUBTHBZIIYES-OFRZWCKSSA-N 662.698 6.801 5 40 KKBB CC(C)[C@H](NC(=O)CNC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NSc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C 150383061 JVADZRVXECAVKU-ZJJOJAIXSA-N 728.937 6.884 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)cc(Br)c5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1 163262529 KRGACSSNSDPLKU-DBHVVYFFSA-N 759.476 7.340 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224469042 NUILNFGVPOOCLH-GDLZYMKVSA-N 691.634 6.280 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225017915 CCAPTKNGXSWLHZ-SSEXGKCCSA-N 636.771 5.363 5 40 KKBB COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 225108196 OJGZHAVHESXEQM-UMSFTDKQSA-N 670.788 5.498 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225395467 GOOCQNRBVCHQRB-UMSFTDKQSA-N 672.779 6.018 5 40 KKBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C 225747193 UEKBETVLKCJZHU-MUUNZHRXSA-N 533.694 5.549 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 408564833 AMVFVIQSYZBXEV-HSZRJFAPSA-N 563.438 6.719 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 408565653 CQZFIBLWBBJIFB-XMMPIXPASA-N 584.452 6.244 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 408569492 JGROSCLAXSFNLK-VWLOTQADSA-N 617.953 7.388 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 408623165 RBXVIPQEXQJZFB-AGSVCEGISA-N 637.091 7.437 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408687597 URBJHHJWNDBOSQ-UHFFFAOYSA-N 504.713 5.409 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)c1 408770143 TZXALULTHMRFAK-KFOJKGMOSA-N 711.594 6.132 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408777344 YXUJVUCUHZAVJN-GNZKFENCSA-N 684.749 6.970 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408832383 SYNVNIWXZWBWDV-DKOMQPSQSA-N 712.917 6.788 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 408839422 RYFWJRQDJOUCLC-YBFXNURJSA-N 583.405 7.079 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408848015 WOOGZNXVQQCUQQ-KEPJHFNWSA-N 600.483 6.794 5 40 KKBB S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCN(c2ccccc2)CC1 408975227 KSXFGDBPKKTOPG-UHFFFAOYSA-N 501.619 5.398 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@H]1c1ccc(SC)cc1 409098659 RANIPJZLRPSTJD-VXBWEVHPSA-N 697.820 5.521 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409139390 DDAHSPPFVVBCKL-PQRKSKNISA-N 634.743 5.340 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)ccc1Cl 409150543 CQXKPZACBOUNDE-OEAKJJBVSA-N 584.006 6.140 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409151300 AJRCESOHNGDKBM-PGGKNCGUSA-N 642.440 5.349 5 40 KKBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n[nH]1 409154388 NZCKERBYAPLPGR-FQEVSTJZSA-N 616.523 5.457 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409200137 QOFDVELAJAMYKS-ZMOGYAJESA-N 547.589 5.474 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c(C)c1 409371448 CMJGCCXTHUPPML-ZVHZXABRSA-N 531.590 5.774 5 40 KKBB O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc([N+](=O)[O-])cc5)nc5ccccc45)cc3)c3ccccc3n2)cc1 2068212 PTTAMJSCXRRLRZ-UHFFFAOYSA-N 576.572 8.057 5 40 KKBB COc1ccc(CCNC(=O)c2ccc3c(c2)nc(SCc2cccc(Cl)c2)n2c4ccccc4nc32)cc1OC 2959543 WHVAPBQDNBSDJO-UHFFFAOYSA-N 583.113 6.971 5 40 KKBB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccc(Cl)cc2)c(C)c1 14414601 LGRXOFRXNVKQPM-UHFFFAOYSA-N 501.992 5.003 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)nc2c1 22833465 NTKSJLBCOABBIG-CQSZACIVSA-N 508.987 6.697 5 40 KKBB O=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1cc2c(ccc3ccccc32)oc1=O)c1ccc(Cl)cc1 100862616 UOMBZTNSKTUXOY-UHFFFAOYSA-N 550.998 6.323 5 40 KKBB O=C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](c2ccc(F)cc2)c2cc(Br)ccc2N1 100889396 QYCFXUKOTCZKNL-NRFANRHFSA-N 518.726 5.334 5 40 KKBB COc1cc(NC(=O)CSC2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)c(C)cc1[N+](=O)[O-] 103132422 QZRQYPQOVKGTCS-NHDPSOOVSA-N 560.588 5.065 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103538984 WIXOSKXCILXJHS-PBNWVGGGSA-N 576.008 6.230 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222834572 VGYZKRWIUHBIPN-AREMUKBSSA-N 552.469 5.312 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224507479 JLJANIYBUBUOJK-GDLZYMKVSA-N 691.634 6.280 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224833417 UGIXJPRVBKMELA-QFIPXVFZSA-N 675.179 5.766 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C 225279954 AFZWWOVZKVZSJK-SXOMAYOGSA-N 543.605 5.320 5 40 KKBB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1OC 225305778 FHYKPBALKUTDLJ-SVBPBHIXSA-N 559.604 5.020 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 408564831 AMIDJPBFXMFFRW-XMMPIXPASA-N 638.371 7.733 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)C(=O)O)o1 408633146 LUOMYIVMFLAYKW-YBFXNURJSA-N 502.936 5.125 5 40 KKBB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccc([N+](=O)[O-])cc1 408647923 BXYMQOGSSILDCC-VTHPGETFSA-N 655.490 5.525 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408684225 NBFFAERILSBNFD-HCXPYDJZSA-N 598.442 6.351 5 40 KKBB COc1ccccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408737041 LEVFFLCKMDYRGJ-SANMLTNESA-N 509.562 5.102 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408737243 MRNRFPWFFWJSOT-MHZLTWQESA-N 538.560 5.310 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408832733 ZYHGZVZRBXDKKY-AFHVAHMMSA-N 638.407 5.816 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1 408982383 DKZDWRCCSYWOPW-CTHKJOMYSA-N 822.475 6.790 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)cc2s1)Nc1ccc([N+](=O)[O-])cc1 408988239 RQMPMILDCGZXJK-UHFFFAOYSA-N 806.106 7.786 5 40 KKBB Cc1c(Br)ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(O)cc2)C3=O)c1C 408993487 DJOASXZNOPVSDH-UHFFFAOYSA-N 532.350 6.377 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409104528 FQMXSQUCYHATOB-LFKFDNPZSA-N 728.274 7.790 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)[C@@H]34)c(=O)n2[C@@H]1c1cccc2ccccc12 409146439 RTXRSRRGRJFNFC-QMRKCUAASA-N 772.839 6.062 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409163713 WSNWEVFJAGJEMR-MSXFZWOLSA-N 629.694 5.076 5 40 KKBB O=c1/c(=C\c2ccc(Sc3n[nH]c(-c4ccc(Cl)cc4Cl)n3)c([N+](=O)[O-])c2)sc2nc3ccccc3n12 409189376 FXDIPCSQOBQGIY-KEBDBYFISA-N 567.439 5.608 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(I)cc1 409249511 IUGVVQUFGDTVIL-FBHDLOMBSA-N 748.271 7.448 5 40 KKBB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 409356826 GUEQSBLQKMLCLG-IBGZPJMESA-N 585.901 5.932 5 40 KKBB CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 1783226 MONNIYRPRXYKTK-CYBMUJFWSA-N 519.373 5.669 5 40 KKBB COC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccc(Cl)cc3)cc12 8440000 RDMCTKAWUMOVFV-UHFFFAOYSA-N 528.926 5.125 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c(C)c1 14275720 FDBXRFRYVJKVSH-UHFFFAOYSA-N 515.595 5.747 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 33355539 DDONAZSYZANWSZ-FWESEHMYSA-N 702.608 6.588 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 102975586 WYJOTHUUDYILGG-CYBMUJFWSA-N 601.943 5.260 5 40 KKBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 103117300 OKFBKUZRCISHQN-KHEIYWBMSA-N 537.403 5.887 5 40 KKBB C[C@@H](CCN(C)CC[C@H](C)c1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1 103193089 XOEYANGOTQNOTN-ZEQRLZLVSA-N 562.736 6.216 5 40 KKBB Cc1ccccc1C1(c2ccccc2C)S[C@]2(SC(C(=O)c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)c2ccccc21 103768941 LCTUZEWSFSZSRA-PSXMRANNSA-N 613.764 8.810 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)o1 104654996 RTIFHJLICQTKMT-MRWVFDTMSA-N 591.645 5.504 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)cc2)cc1[N+](=O)[O-] 106733931 JNBJIJOBXBDWEP-YVNNLAQVSA-N 562.984 5.700 5 40 KKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(I)cc1 106738554 QAFWJWMXYGXQKZ-XKZIYDEJSA-N 572.380 6.015 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c2=O)=N1 111470114 LKTDXDPDBTVQPP-HDFSHUSISA-N 585.682 5.870 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(SC)cc1 111470846 TWWGYTOEHFDPII-CLNXTWJPSA-N 623.712 5.826 5 40 KKBB O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccccc2Cl)cc1 139098026 OCZWSHRCQVSNIK-UHFFFAOYSA-N 511.918 5.331 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 150394839 PLFWMYFHDMGGRE-FWESEHMYSA-N 625.634 5.252 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)c(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 163249043 KNHFIXXYAPDJBI-XDYZZPCYSA-N 741.576 6.707 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c2=O)=N1 163466625 WUAAEFJHPPKOJI-DDIUQFJASA-N 877.539 7.398 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 164554477 XYCNNVFNGJUAND-LLXISZFLSA-N 661.692 5.072 5 40 KKBB O=C(O)[C@@H]1[C@]23c4c5cc6cc7cc8c9c%10c%11c%12c(c4c6c%12c79)[C@@H]4c6c-%11c7c-%10c(cc9c7c7c(cc(c(c67)[C@]412)C[C@@H]3C=5)C9)C8 169795986 ZADJNWVKEGRDBR-YSBJDEHUSA-N 540.577 7.285 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223493654 BSSIKDQRBBGJRZ-QFIPXVFZSA-N 661.177 5.103 5 40 KKBB CNC(=O)[C@H](N)CS[C@H](C)C1=C(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(C)=C5CCC(=O)O)c(CCC(=O)O)c4C)c(C)c3[C@H](C)SC[C@H](N)C(=O)NC 407947265 DAWSJUFONOYCDF-RQDZCNCFSA-N 831.078 5.738 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1 408569946 KIFXWHWHOVTQNQ-QHCPKHFHSA-N 604.870 6.589 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408680242 FZOAZRCQJMFCJK-SNINSWTHSA-N 658.536 6.252 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]23)cc1 408728430 MGPWKQQZPFUMRN-JXWCMEKSSA-N 676.725 7.109 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408734436 YDJPPOSFFGGKOG-LABHGBKVSA-N 731.139 6.116 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C(F)(F)F)ccc3OC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408876836 RCYGSQXMNBWABR-MSXFZWOLSA-N 666.030 6.928 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408956113 YRILWAZJMKQEGY-QHZSLAKNSA-N 684.952 5.320 5 40 KKBB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 409028572 PCFQOCUUNLXNOW-UHFFFAOYSA-N 536.009 6.204 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c2=O)=N1 409031558 HDRWXUNZOUYSHS-LMSRTUJASA-N 807.404 5.495 5 40 KKBB COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1OC 409119966 RLEUFMISFJOZHE-GDLZYMKVSA-N 509.562 5.973 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409230893 HCUXJRBXVSPRHV-DEDYPNTBSA-N 598.415 5.250 5 40 KKBB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 409333236 IMNVOJOQFHQEQL-XPNIBREUSA-N 514.921 5.078 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409367492 BTMXWFMRKSJRLI-UHFFFAOYSA-N 561.598 7.152 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)N1C(=N2)C(Nc2ccc(Cl)c([N+](=O)[O-])c2)=Nc2ccccc21 1844588 VHKFZKCEZDCJLZ-MUUNZHRXSA-N 594.462 8.191 5 40 KKBB O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccc(Cl)cc1)N2)c1ccc(Cl)c([N+](=O)[O-])c1 2254261 CSPJAMSRUOFNTP-HXUWFJFHSA-N 541.782 6.455 5 40 KKBB Cc1nc2c(c(=O)n1CCc1ccc(F)cc1)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 3311116 IPHDPUXTPORATK-UHFFFAOYSA-N 528.385 5.736 5 40 KKBB CCCCCN(C(=O)c1cccc([N+](=O)[O-])c1C(=O)N(CCCCC)c1ccccc1)c1ccccc1 4727085 ICVSZSKMEFJJNL-UHFFFAOYSA-N 501.627 7.269 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 11852763 SSXZPGGDRCOCQY-UHFFFAOYSA-N 542.953 5.515 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 14135412 TWMQCIYYYJYDAJ-UHFFFAOYSA-N 508.383 5.040 5 40 KKBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 59858457 VLGYDGNAAKAICQ-UHFFFAOYSA-N 616.677 5.383 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@H]5CCCN(S(=O)(=O)c6ccc(Cl)cc6)C5)nc34)c12 98046161 GKZMPLYOLOQGNX-ZDUSSCGKSA-N 549.028 5.355 5 40 KKBB O=C(Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12)c1cc(Cl)ccc1[N+](=O)[O-] 100919075 SAYBLJUEXNGMPU-UHFFFAOYSA-N 519.819 6.398 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(F)cc3)C3=C(N=4)c4ccccc4CC3)o2)cc1[N+](=O)[O-] 103791568 INXJTCCNKQGRCE-ITNPZBTBSA-N 563.610 5.934 5 40 KKBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306305 CPPASGHHCONMHA-UHFFFAOYSA-N 537.985 5.020 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105318339 QEOJNCJRISUISI-UHFFFAOYSA-N 576.698 5.173 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 106427320 XFLMOXRGWZLUMA-ITIZVALFSA-N 598.464 5.582 5 40 KKBB COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1Cl 108132985 QDPCJXYMLHXVJB-UHFFFAOYSA-N 562.995 5.686 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 150463510 RBJNYWMMRPODRW-KSEXSDGBSA-N 638.323 7.878 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 163732731 KPRZCYSBNZYBMA-XKNCUGLGSA-N 775.590 6.340 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214434661 MBWTWXIFQARELJ-WYMPLXKRSA-N 559.427 7.116 5 40 KKBB CC(C)(C)c1ccc2c(c1)[C@@H]1c3ccc(C(C)(C)C)cc3[C@@H]2[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 222379153 DXEVLMYTGDEGKM-KMKVIZFGSA-N 508.618 6.586 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222850747 HTNJGCDXAGSWME-XIFFEERXSA-N 786.145 6.935 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl 224066076 ZHEBUOOAKWTQIO-IZZNHLLZSA-N 550.040 5.636 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224431084 GYKHIJBNAAGUGF-HKBQPEDESA-N 646.741 5.484 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 224681749 RXUPJFXWOINTIK-IHLOFXLRSA-N 547.640 7.058 5 40 KKBB O=C(O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224786979 FUSVXAYKHCALRF-VMPREFPWSA-N 594.674 7.276 5 40 KKBB O=C(c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363327 QFEPXGMDLACNRU-UHFFFAOYSA-N 527.783 7.714 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260869325 KINRGMYUQPEYFL-JGCGQSQUSA-N 762.112 7.232 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)c1 408571657 PLCYUNJEELJJIN-DEOSSOPVSA-N 557.445 6.475 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C(=O)O)o2)c1 408631831 GRBQJUULCWEVCU-MTJSOVHGSA-N 525.495 5.148 5 40 KKBB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(c4ccc(Cl)cc4)C(=O)[C@@]3(c3ccc(Cl)cc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])c1 408722687 CRGABZKCZSSLBT-ZSAJNUMDSA-N 701.562 8.099 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408835046 WRMXLZQAPNWSGJ-ITNPZBTBSA-N 739.588 5.677 5 40 KKBB O=c1/c(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408846035 XHBTZPFCQZPDBJ-DXUGRCAZSA-N 695.551 6.477 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 408865344 AKOYCTNGLASGHK-KSEXSDGBSA-N 621.977 6.530 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408933791 AFBLJHTZQSUTJI-TZUCAZQYSA-N 769.614 5.686 5 40 KKBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(c1ccccc1)c1ccccc1 409000878 ZMXJZMFZXLPVMQ-PXGDAJMSSA-N 613.758 7.561 5 40 KKBB CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n21 409010679 DFNVMYYNJXRQBL-CXABMRDKSA-N 608.716 5.139 5 40 KKBB CC[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409016484 CTQNQQVXUIMENW-NNLQFVHNSA-N 664.259 6.218 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)c1 409168223 LOYXIRQPTGODPU-WSDLNYQXSA-N 534.506 5.279 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 409172460 IRZBHBOYOJFMIN-AGSVCEGISA-N 689.526 8.230 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409189548 HSLWEWMSBQQVEC-MQCBVOCZSA-N 801.734 7.892 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409194635 QJVBLNWFYJIDSF-WWWKDLBZSA-N 748.718 6.748 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1 409219265 OYJWSALPGQOZMM-SRZZPIQSSA-N 543.351 5.545 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1 409276067 XZVKLTFVDRMAFP-AFUMVMLFSA-N 552.992 6.145 5 40 KKBB O=c1c2c3nc4ccccc4nc3n(-c3cccc(C(F)(F)F)c3)c2ncn1Cc1ccccc1Cl 2249365 OAHIBCNBUSUYKE-UHFFFAOYSA-N 505.887 6.004 5 40 KKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4ccc([N+](=O)[O-])cc4)CCC[C@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)n1 8455429 IDZVZPIAZPZAGG-ZMPHDFLXSA-N 545.512 5.064 5 40 KKBB COc1c(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc2ccccc2c1Br 8895147 KBWCCUDZRDIAPA-UHFFFAOYSA-N 508.781 5.608 5 40 KKBB Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 24522653 OUDMDUJTGMSBBJ-UHFFFAOYSA-N 510.937 7.211 5 40 KKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 57313334 VJLLJZBEPVGVIE-UHFFFAOYSA-N 502.596 6.369 5 40 KKBB COc1ccc(OC)c(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 101670343 UHXKNIZXANIXRU-ZXFZPVEDSA-N 601.615 5.468 5 40 KKBB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 102928460 HHMRITMBLAENFJ-PJSFBMALSA-N 609.642 8.155 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccccc1)[C@@]21C(=O)Nc2ccccc21 103547739 YEKSFGXTSXPVKO-IANDGLOUSA-N 555.590 5.841 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103551362 UBLRONAYKDNJFH-JUQCDRLLSA-N 555.590 5.759 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745660 CYOUVQHOXLRCSQ-JJFYIABZSA-N 515.374 6.717 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1Cl 214065871 ILNQQMHSBKSFRM-SRZZPIQSSA-N 511.899 6.185 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1 215005185 BZFIWBNJIYHDNV-YDZHTSKRSA-N 510.955 6.072 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C 215023478 MDYUZYCDDAHHQT-JVWAILMASA-N 575.643 6.371 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c(OC)c1 224822687 WDWBUQZCCRUXSN-IZZNHLLZSA-N 532.578 5.453 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224989223 WQUZKPLFBYOLKG-MUUNZHRXSA-N 610.574 6.289 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225020057 OSOQXIWHPXDKBG-DHUJRADRSA-N 763.711 6.569 5 40 KKBB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)C(C)(C)C 225111188 QLPYISKVCGFBSQ-SXOMAYOGSA-N 570.675 5.951 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 225658581 IIZPLDIMZRHFSD-SVBPBHIXSA-N 527.606 5.560 5 40 KKBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247318219 KYSWBXRMYWBYRO-UPOHCCNUSA-N 559.553 5.716 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1 408569140 IYOCXXJHYIHKKV-QHCPKHFHSA-N 607.889 6.828 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 408569684 WYIHDXKOVYLVJR-HSWHJCFASA-N 564.436 5.091 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408662374 XYGLGLRYRANPDZ-ZRZAMGCNSA-N 596.423 6.109 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)c1 408667044 IWSBUBIQPOGOTI-UHFFFAOYSA-N 549.580 5.594 5 40 KKBB Cc1cccc(N2C(=O)c3cccc4c(-c5ccc(Br)c(C)c5)c([N+](=O)[O-])cc(c34)C2=O)c1 408757749 QJOHNCCVTYTLSH-UHFFFAOYSA-N 501.336 6.595 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408766901 WPIQADFWZLNLRO-MQCBVOCZSA-N 708.705 5.562 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 408824991 CDDFUJWOGWMYQC-CWJUKMOQSA-N 613.623 5.267 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 408839217 OXTAMCMZIBGNMJ-WOJGMQOQSA-N 539.352 6.680 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409082265 RWPAIERHKQQZTB-WSDLNYQXSA-N 617.371 5.409 5 40 KKBB CCc1ccccc1NCc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 409118024 MPYMDNQAXPSFGP-UHFFFAOYSA-N 518.351 5.962 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 409183041 QMQIKKNKNCJFPK-AREMUKBSSA-N 540.915 5.830 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 409188310 GGYHICHXKZMMKW-RBMXVJLZSA-N 783.672 5.975 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 409192533 DSPTVHPMLXNQRC-MSQRCHFZSA-N 832.542 6.729 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)cc2)cc1[N+](=O)[O-] 409226022 RHHDWIBZRJKHJV-FMCGGJTJSA-N 617.455 5.353 5 40 KKBB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc(OC(=O)c4ccccc4)cc3)C2=O)cc1 1773067 MGXMYFRTHHVETP-OIFRRMEBSA-N 593.592 5.654 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1 1848773 ZMEJURDBZINYGU-AWEZNQCLSA-N 539.013 6.705 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccccc4)c3)CC2)cc1NCc1ccccc1 4081277 SLSPEMZWIILTTK-UHFFFAOYSA-N 538.608 6.054 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2c1N 6280817 URSNPPSLTGRAIB-UHFFFAOYSA-N 549.439 7.988 5 40 KKBB CCc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc32)cc1 8842949 HDPXRNMZAAMTCQ-LJAQVGFWSA-N 519.066 8.160 5 40 KKBB O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14278904 CAGJIAOXBBDEQZ-UHFFFAOYSA-N 515.353 5.243 5 40 KKBB COc1ccc([C@H]2N(c3ccc(F)c([N+](=O)[O-])c3)C(=O)N3[C@H](c4ccc(OC)cc4)N(c4ccc(F)c([N+](=O)[O-])c4)C(=O)N23)cc1 82178343 GLCKNHHVKAHVQM-HNRBIFIRSA-N 632.536 6.295 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N=[P@]1(N2CCCCC2)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1c1ccccc1 97983274 LZKDXWQBJLNERI-YQLXITLBSA-N 570.634 7.897 5 40 KKBB O=[N+]([O-])c1ccc(-c2cccc(Nc3nc4ccccc4nc3NS(=O)(=O)c3ccc(Br)cc3)c2)cc1 101081084 CJRVYXUHEXUTFU-UHFFFAOYSA-N 576.432 6.512 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)N(c2ccc(Br)cc2)S(=O)(=O)c2ccc3ccccc3c2)ccc1Cl 102973626 FMOLWTBDXRAMOO-UHFFFAOYSA-N 581.853 5.748 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1Br 106726167 UFDWUPIIUHHXPW-UUYOSTAYSA-N 604.276 6.935 5 40 KKBB O=C1S/C(=C\c2ccc(-c3ccc(I)cc3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745259 FRBALDMWHYZGRQ-ODLFYWEKSA-N 532.315 5.696 5 40 KKBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112231638 ZSVVDUOKKAUCKA-UHFFFAOYSA-N 537.985 5.020 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 215221447 NDBVPXBKHVQLGL-PGGKNCGUSA-N 694.887 6.796 5 40 KKBB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1-c1cccnc1 224767854 GVPSKWCRTABNGG-FQLXRVMXSA-N 564.696 6.812 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225401340 RDAPVCBWEVRYQA-HHHXNRCGSA-N 554.112 6.038 5 40 KKBB O=C(c1ccccc1F)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 247313858 JGNJRRHOXRHTNS-CILKRHGOSA-N 559.553 5.590 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 248123574 GKACDUHCMJDVPI-IANDGLOUSA-N 571.589 5.460 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260720027 GEZLUSDEAXSJHH-JOCHJYFZSA-N 631.151 5.011 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260907263 JKRQBWYLVSFOAY-SSEXGKCCSA-N 685.641 5.521 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)cc1C 408565657 CRHJXRLLRJETSC-RUZDIDTESA-N 571.472 6.783 5 40 KKBB Cc1ccc(COc2ccc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccccc3)cc2Br)cc1 408568629 IDARJRKAJYCGEP-XMMPIXPASA-N 539.455 6.336 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 408575927 XBAMQUJNHNRWTG-MUUNZHRXSA-N 589.515 7.489 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 408576640 XXODZYKMEFBLSE-XMMPIXPASA-N 528.993 6.066 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408639844 GJSLOTQVENNLCT-UHFFFAOYSA-N 933.969 8.707 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2ccccc2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408642633 NMNUCHUJPZEUAG-UHFFFAOYSA-N 583.940 5.004 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Br)cc1 408678085 CMZMYEYWTLYILS-RAWLKHAVSA-N 636.458 5.490 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408723240 RWLCQBRKJNTWHX-HOSOATPESA-N 701.562 8.099 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)c1 408770473 XYVUFPRMPFHIJL-HZHHUVPKSA-N 632.698 5.370 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 408826885 DLCVXTWEFCCLRQ-NKYAOSOXSA-N 663.630 5.979 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 408835762 YBAWSBIHSJXEEN-MFCBUNOESA-N 727.431 6.119 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OCC)c4)c(=O)n32)cc1OCC 408953441 WJLQZXQNQDRZJD-IMDLGZNOSA-N 769.583 5.585 5 40 KKBB CCc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 409115476 JHBMXEWBBVNMQU-UHFFFAOYSA-N 520.221 6.873 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 409236996 UJKKKOFWEWUGND-YDZHTSKRSA-N 628.457 5.629 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=N2)C(O)=Nc2ccccc21 3309902 WOQYPCIIOQJOBV-QFIPXVFZSA-N 529.900 5.892 5 40 KKBB COc1cc(NC(=O)c2nn3c(c2Br)N[C@H](c2ccc(Br)o2)C[C@@H]3C(F)(F)F)cc([N+](=O)[O-])c1 8444712 JVXVKHYIEATKMT-WCQYABFASA-N 609.153 5.831 5 40 KKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)nc2c1 10119761 IXBLVUFSXMVCKG-UHFFFAOYSA-N 500.736 6.634 5 40 KKBB COc1ccc(OC)c(NC(=O)CSc2nc3ccc(Br)cc3c3nc4ccccc4n23)c1 50861800 UAAWHFNISIZTMS-UHFFFAOYSA-N 523.412 5.546 5 40 KKBB Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cccc1[N+](=O)[O-] 59331785 CMYLLLCFMZMKHQ-UHFFFAOYSA-N 524.046 5.006 5 40 KKBB CCOc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 60060525 ISIGBPVUQAITAT-SFHVURJKSA-N 562.044 5.037 5 40 KKBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ncc(Cl)cc1Cl 97982404 FTWUYBQLDGHCOP-UHFFFAOYSA-N 550.207 5.437 5 40 KKBB COc1cc(Br)c(C[N+]2(CCOCC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)CCOCC2)cc1OC 100046903 DDHUTBKXLWCZCO-FCEUIQTBSA-N 511.521 5.292 5 40 KKBB in-man CC(C)C1=C[C@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2[N+](=O)[O-])C(=O)[C@@H]13 100660674 YGUPHSYJUKWQMM-SWEIOQLWSA-N 520.626 5.610 5 40 KKBB C[C@@H](CCc1ccccc1)Nc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] 104579275 HDGWPRHMQYVSON-IBGZPJMESA-N 520.546 5.171 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106705892 XCSMFNDLEZAFIT-CFRMEGHHSA-N 554.602 5.224 5 40 KKBB O=C(Nc1ccc(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2C(F)(F)F)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] 150384209 JSEAJRMEZDSIFI-UHFFFAOYSA-N 618.446 7.712 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 163466173 FYSMDZHCEGYKBE-ISZRBDKASA-N 704.643 6.952 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F 214355574 HHHLECYMSLFSID-SRZZPIQSSA-N 518.444 6.782 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)c1 224819364 HHKLJLLNLQDSDP-LOSJGSFVSA-N 502.552 5.444 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 248115434 AWALKTLCXQTGLT-HQMQMYHNSA-N 571.589 5.585 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408555574 GJOAWEFMQYEDOS-UHFFFAOYSA-N 511.840 6.978 5 40 KKBB COc1cc(CNc2ccc(Br)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408555629 HKYGYEDTGFHYAC-UHFFFAOYSA-N 512.187 6.864 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc4ccccc34)c(Br)c1)[C@@H]1CCCN12 408568774 ULMQALLGCCRQCF-RJPUKIMISA-N 584.470 6.236 5 40 KKBB Cc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2)c1 408605015 KGZVMFGYODOYPM-NTCAYCPXSA-N 512.522 5.640 5 40 KKBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408648592 WTRCFYRHPOAGCM-SNVBAGLBSA-N 615.640 6.787 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408687509 UNAYEICIYKAYQW-TUSFPTNYSA-N 703.533 6.161 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(Br)cc3)c2=O)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408733268 WTOLETJBHKRVDK-SZYVSPPHSA-N 678.561 5.556 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408761727 BCGKCANACLJMHY-HNVAQCFTSA-N 691.718 5.080 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408762929 COMXHETWGUEIQW-VCLSCOGJSA-N 833.657 6.053 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408836375 QQNHIEXXWDZBTI-SUAMDDGLSA-N 666.525 5.496 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c(OC(=O)c5ccc([N+](=O)[O-])cc5)ccc5ccccc45)c(=O)n32)cc1 408860042 XNEHIBNGEFAFPJ-FKIODOFUSA-N 710.768 6.553 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(Cl)cc5Cl)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408933989 CDOMTJZXKIOGKL-IIKZDBHXSA-N 763.450 6.372 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OCC 408945313 NZLZBPMSWYANPQ-MSXCPPJZSA-N 785.613 5.306 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccccc5[N+](=O)[O-])C(=O)[C@@H]34)c(=O)n2[C@@H]1c1cccc2ccccc12 409040417 IACXQXUIHUNIOW-QMRKCUAASA-N 772.839 6.062 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 409164104 CKRZIYCZRKQPLY-DTDQMKFYSA-N 635.698 5.729 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1N1CCOCC1 409193135 CGFHMMBTHYUDDI-XYGWBWBKSA-N 611.101 5.911 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3Nc4ccccc4-c4nnc(SCc5ccccc5)nc4O3)o2)c1 2073826 YBXLWYIUEISVGQ-VWLOTQADSA-N 509.547 6.502 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1 6280805 FQEOTMDQTRXUMD-KRWDZBQOSA-N 523.018 5.869 5 40 KKBB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)o1 8442557 BMDKZQQZDRKPQV-GDLZYMKVSA-N 508.961 7.941 5 40 KKBB CCc1ccc(Nc2nc(Nc3ccc(CC)cc3)nc(N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 10059953 LECMPIRMLJDUEO-SFHVURJKSA-N 526.601 5.831 5 40 KKBB COc1cc2nc(SCc3ccccc3Cl)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 20216186 ADMADDCKWGCYAI-UHFFFAOYSA-N 507.959 5.816 5 40 KKBB O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 59331947 HFGUANJTYADNTL-UHFFFAOYSA-N 516.985 6.083 5 40 KKBB CCCCCCn1c(=O)c2cc(Br)c3c(=O)n(CCCCCC)c(=O)c4cc(Br)c(c1=O)c2c43 97972190 VMGCOHAXJKXGCC-UHFFFAOYSA-N 592.328 5.751 5 40 KKBB O=C1[C@@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 100187169 ALEUGCUNZUDMMI-DOOQXGAZSA-N 527.374 5.781 5 40 KKBB CC(C)(C)c1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(C(C)(C)C)c1O 101117765 DIIJGUKJVOJOLH-OBDYRVMHSA-N 543.620 5.947 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(SC)cc1 105499378 CZQFHDFAVGSJGU-LAUBZIAYSA-N 550.705 5.827 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 109391371 WFVATMUVNNLRIU-KEPJHFNWSA-N 617.680 5.071 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c2=O)=N1 111470361 HZOZERJPRCYFKJ-UNDLXJOSSA-N 615.708 5.879 5 40 KKBB Cc1ccc([P@@](/C=C2\N(C)c3ccccc3C2(C)C)(=NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccc(Br)c(Br)c2)o1 150439590 UHIPSSRRVIPIFI-KREHPSRISA-N 735.391 8.500 5 40 KKBB COc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N(Cc3ccccc3)c3ccc(Cl)cc3)c2)c([N+](=O)[O-])c1 150500619 ZCUFVDRSHZPRLU-UHFFFAOYSA-N 644.489 6.101 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc(Br)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n31)c1ccccc1CC2 163205187 GPDIBEUVTOKOME-DBHVVYFFSA-N 759.476 7.340 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc(Cl)cc1 163764266 ZAZQHDKEWLRPJM-VNOBABJFSA-N 636.129 6.468 5 40 KKBB Cc1ccc(-c2csc(NC(=O)CSc3nnc([C@@H](NC(=O)c4ccccc4)C(C)C)n3C)n2)cc1[N+](=O)[O-] 197764388 VBJBGWDFXOJJNR-QFIPXVFZSA-N 565.681 5.013 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223687354 OFWKHQABULGAFV-VWLOTQADSA-N 560.503 5.911 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224046309 MTHKNWPQJYQTBA-XIFFEERXSA-N 707.249 6.235 5 40 KKBB Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 224769385 BOQWSGHSVDRWTE-KYJUHHDHSA-N 596.759 8.371 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225360829 FFWOTKQQGIURKX-LJAQVGFWSA-N 657.189 5.112 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225363698 MLQGYLDGNGZPNO-FGZHOGPDSA-N 661.177 5.101 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225386338 VWQWMNNVHYSXEG-MUUNZHRXSA-N 563.626 5.210 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc(Cl)cc1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 248340318 UTSKPBSVUGXZSY-AOFBEVEVSA-N 590.035 6.494 5 40 KKBB CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC 408564801 AIITZSGIMQIHQF-IBGZPJMESA-N 507.410 5.164 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 408565349 BTRWXWISZUGNNE-SANMLTNESA-N 522.602 6.111 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)cc1 408565911 DETIPRVFFJHPNM-SANMLTNESA-N 504.612 5.972 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1cccc2ccccc12 408569101 IVADRJQPVRLOPK-LJAQVGFWSA-N 558.635 6.956 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1ccccc1 408570644 LSFNGWDCQNGVTQ-QHCPKHFHSA-N 543.418 6.166 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 408571565 OZSHZJQAUJZBQZ-VWLOTQADSA-N 638.371 7.733 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1ccc(F)cc1 408571938 QANFGDHTDWKEQJ-HSZRJFAPSA-N 567.857 7.364 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 408576647 XZGJZBNWAWJXKQ-RUZDIDTESA-N 525.030 6.317 5 40 KKBB O=[N+]([O-])c1ccc(Sc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 408583835 XGFBUQFFJACVJF-UHFFFAOYSA-N 501.240 5.893 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1C 408649672 YXCVSGODWFTIKK-WFDFDODZSA-N 680.155 5.898 5 40 KKBB COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C(=O)Nc4ccccc4C)c2)C3=O)cc1[N+](=O)[O-] 408670702 JBVLIVCBBZQLAC-UHFFFAOYSA-N 593.548 5.004 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408758407 ZODGCPUQCRLUCJ-USDTVRPUSA-N 610.489 6.249 5 40 KKBB O=C1[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 408919450 YBNCHQXIWLSUFG-YQORSWRPSA-N 509.743 5.151 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(c2ccc(C)cc2)c2ccc(C)cc2)c([N+](=O)[O-])c1 409045814 IELSYJJUGRHMIF-ZVBGZEEKSA-N 506.558 5.644 5 40 KKBB COC(=O)c1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409132990 YWSLIYRFPJBCHC-MUUNZHRXSA-N 507.546 5.743 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409152661 FWZKMKOHFSNPMZ-YDZHTSKRSA-N 648.329 7.334 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409158259 XBAFCHNOAQINGQ-DHRITJCHSA-N 592.586 5.986 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409162762 HJUUHNUMRNXZGI-ZVHZXABRSA-N 533.562 5.166 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409205890 QJIQIVKIBKJWCU-WSDLNYQXSA-N 569.979 5.668 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409272257 PKIWFAGDTOJTTN-AFUMVMLFSA-N 640.512 6.627 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409276076 YFLMNBVGQTXJOO-DHRITJCHSA-N 547.589 5.474 5 40 KKBB COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409373869 VNJUGNAEVNHXBZ-UHFFFAOYSA-N 556.482 5.438 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(Cl)c(Cl)c3)C2=O)o1 409399503 JIFIRYDLKOCXBI-LSCVHKIXSA-N 625.215 5.716 5 40 KKBB COc1ccc(-c2c(C(F)(F)F)oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1OC 1940989 YLDHRSOGBAHVDN-UHFFFAOYSA-N 501.413 5.983 5 40 KKBB biogenic O=[N+]([O-])c1cc(N(S(=O)(=O)c2cc(Cl)ccc2Cl)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1F 2752573 MWLAANFSSVOAAP-UHFFFAOYSA-N 574.222 5.932 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cc4nc(-c5ccc(Br)cc5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc1 8431753 CGDCHLPHODHXND-UHFFFAOYSA-N 642.388 7.529 5 40 KKBB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)CCC2 32639102 RDHAZZUSRRFPJB-WYMLVPIESA-N 505.324 6.741 5 40 KKBB Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccco3)c12 98048872 BJSYRANHLMSAKL-UHFFFAOYSA-N 569.824 7.382 5 40 KKBB Cc1ccccc1Oc1cc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cnc(Cl)n2)(C4)C3)cc([N+](=O)[O-])c1 100549455 WLOLHRGDABZGEN-NNKNXWDPSA-N 507.978 5.875 5 40 KKBB CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OC/C=C/c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 101509096 UFIBXKSKPRLZFQ-XPZLYCDASA-N 611.651 5.667 5 40 KKBB O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 102555174 LEVZZQYMTBONFN-PFBJBMPXSA-N 569.957 5.519 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 105305889 MGBFKMYUDLULJO-UHFFFAOYSA-N 529.622 6.137 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2OC)sc2c1CCC2 150391290 ZNUIPXRWHXMYDI-GOSISDBHSA-N 664.766 5.269 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223291582 LOXQXMOVLWOOBE-YTTGMZPUSA-N 679.195 5.537 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223546467 HHBSGKILHPPXCI-RXFWQSSRSA-N 508.018 5.346 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 224681799 RXUPJFXWOINTIK-XZWHSSHBSA-N 547.640 7.058 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 224715705 WHLWIYRUTBUBAX-IHLOFXLRSA-N 547.640 7.058 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cc(Br)cs3)cc2)cc1 224761684 UVTDAXJQEUTRPZ-DHIUTWEWSA-N 569.531 7.142 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1Br 224946441 IQATZVLTRRTJLY-RPWUZVMVSA-N 535.423 6.498 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc2ccccc12 225712242 HONBESXZGOZXLZ-KYJUHHDHSA-N 563.639 6.404 5 40 KKBB CC1=C[C@@H]2C[C@@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5c(Cl)cccc5[N+](=O)[O-])cc4)cc3)C(=O)[C@@H]21 226412296 IBBQLBXXABFNKA-IDAKWDCBSA-N 558.974 6.099 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccccc1 408608995 NIKJAMJKKDWDBL-UHFFFAOYSA-N 500.349 5.386 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)O)o1 408635097 YSKYLXFMPWZSNG-GRSHGNNSSA-N 534.333 6.438 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408637765 BBYBZIKNEYYIMJ-LROUJFHJSA-N 576.005 5.702 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408643369 PGSOUMQTAJGSCN-ZCYQVOJMSA-N 601.999 5.049 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408650101 ZLBLVMULJKCPMS-WSNNEZGNSA-N 638.460 5.782 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409037526 CWULUOMXLAUNSR-AQXMYRKDSA-N 827.619 5.129 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 409039602 HDFLMZVTSSWBBK-ITNPZBTBSA-N 692.588 5.835 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccc(OC3CSC3)c2)N1Cc1ccccc1 409135009 PFFWANDEOOTTDH-PMERELPUSA-N 537.641 6.450 5 40 KKBB Cc1ccccc1OCC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409179621 QTTUHMOCMYRMPI-GDLZYMKVSA-N 524.529 5.702 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)c1ccc(Br)cc1 409223734 ILNHFUHNTIRFGR-KEBDBYFISA-N 547.770 6.190 5 40 KKBB COCCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O 409229791 VCFIWESDGKJSRU-RGVLZGJSSA-N 537.388 5.018 5 40 KKBB O=C(Nc1cc(C(F)(F)F)ccc1OCc1ccccc1)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 3666932 FYVAEBGAPBJYFG-UHFFFAOYSA-N 576.449 8.256 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@H](c1ccc(Cl)cc1)N1C(=N2)C(N2CCOCC2)=Nc2ccccc21 4396737 VEWRMTMONNVPNW-SANMLTNESA-N 554.010 5.758 5 40 KKBB O=C(Nc1nc2ccc(Cc3ccc4nc(NC(=O)c5ccc([N+](=O)[O-])cc5)sc4c3)cc2s1)c1ccc([N+](=O)[O-])cc1 8386776 HTVPFWKLMOCCLU-UHFFFAOYSA-N 610.633 6.818 5 40 KKBB Cc1noc(/C=C/c2cc(I)cc(I)c2OC(C)C)c1[N+](=O)[O-] 8443241 DWJMRNIZTWFNFN-SNAWJCMRSA-N 540.095 5.058 5 40 KKBB O=C(Nc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=O)Nc1ccc(Cl)cc1 16428423 OZRUXHLTSKFTBH-UHFFFAOYSA-N 504.330 5.576 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 97949086 VAVPYYZCKUMCKD-AHWVRZQESA-N 642.432 7.747 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 100167309 OOCKFTAHPGDIMV-UHFFFAOYSA-N 575.538 5.860 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100325962 FWEDLPKRGCZCBY-PGGMPKIUSA-N 557.522 6.881 5 40 KKBB Cc1cc(Br)cc2c(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc(-c3ccccc3)nc12 100397015 GJXQNVKYJCLLME-UHFFFAOYSA-N 597.421 7.713 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccc(Cl)cc1Cl 102550350 FDPJXHLIOLEFFV-XVNBXDOJSA-N 554.127 5.969 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2=O)=N1 104676653 JKSQNVBEHIEHAI-HDFSHUSISA-N 585.682 5.870 5 40 KKBB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105319752 BDEXVBNYEWORFE-UHFFFAOYSA-N 527.364 6.107 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 111469786 WVCHZMFFJIJSGZ-KUSDHMTMSA-N 621.671 5.421 5 40 KKBB COc1ccccc1[C@@H](C)N([C@H](C)c1ccccc1OC)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 136227440 SCPIPBUVJMWXLH-CLJLJLNGSA-N 599.667 11.074 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC(C)C)c(I)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 150626363 BJKKCJONQIRUNW-KIHONOKQSA-N 773.387 5.011 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163620654 ZWLLBTWJFLBSCZ-MFUBYVTQSA-N 848.819 6.848 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223508451 DJDOJQCRQUSQHJ-PMERELPUSA-N 679.593 5.329 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225297278 YBAOQELAALHHNW-VQTJNVASSA-N 700.041 6.399 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225593120 ZBXDVPDOIAOTHC-YTTGMZPUSA-N 697.641 6.653 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccccc3)cc2Cl)cc1 408574425 UTUOXGCGUFYSPY-QHCPKHFHSA-N 529.449 6.880 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1Cl 408827216 KMBRKOICXRWWJQ-SUAMDDGLSA-N 624.502 5.592 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cc(C)c(C)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 408917941 CZNVSMZJZDAIKF-ULQRSLTBSA-N 658.754 8.017 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409048348 OAILWHMGOKISMZ-GWRYVSOYSA-N 674.688 5.203 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1Cc1ccccc1F 409064169 CDYBZIHHAKJJPR-CIAFOILYSA-N 573.318 5.010 5 40 KKBB O=C(COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)Nc1ccccc1 409129925 VKXKJZPAYZDPIQ-DHUJRADRSA-N 598.659 6.974 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 409180760 ZZBDQJAEFWMLFR-YSMPRRRNSA-N 540.601 5.835 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 8452265 VVBNXVNRDWDPIQ-RAWKODRKSA-N 578.690 5.512 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(CC)ccc4o3)c2)cc1[N+](=O)[O-] 8835204 OWFRAMSRAFTIME-UHFFFAOYSA-N 506.540 5.197 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc(C)c1 9232817 FKIQILJKTQENIU-MFKUBSTISA-N 504.564 6.117 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1cc([N+](=O)[O-])ccc1Cl 21305736 VKWSBKMJKGUSJW-UHFFFAOYSA-N 500.747 5.608 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 97948751 BKMHVIQLZFUYSX-GGAORHGYSA-N 602.367 7.259 5 40 KKBB COc1cc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 101307876 QXYGHQBABDCORJ-UHFFFAOYSA-N 584.536 5.620 5 40 KKBB O=[N+]([O-])c1ccc(C2=NN(c3ccc(/C=C/c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc3)[C@@H](c3ccccc3)C2)cc1 102936776 UHVUZIZMKSNXHN-ITVRJGFNSA-N 589.655 8.838 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccccc5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1 104657141 AAWYJAAGWSWARW-WXKAHTKJSA-N 601.684 5.815 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c2=O)=N1 163457220 YEPGQRIQNSCSAQ-MDYVMDJYSA-N 669.800 6.588 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223304776 WILASZWLALVIKG-NRFANRHFSA-N 665.596 5.748 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223680166 MKFMMSNCEHUZFF-HHHXNRCGSA-N 659.205 5.793 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224178585 JRURXVDYOIJDCK-JGCGQSQUSA-N 727.667 6.580 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1C 225282536 VXCRJKWGYOBHNS-WUFINQPMSA-N 573.631 5.329 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1ccccc1 408566783 GDGOSFIVPGXCQJ-HSZRJFAPSA-N 515.422 6.572 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408568318 SYSBFXPQFBKFLD-ODTBUFRVSA-N 549.627 5.872 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccccc1 408676241 AOMHLTHRAUOANX-QKCPIRFBSA-N 652.101 5.282 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 408728298 JMWLFVRPURYXRA-BMPBIMJCSA-N 665.145 8.054 5 40 KKBB O=c1/c(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408757397 MWEVPYBRDFJQIE-QQMBNGEASA-N 808.346 8.093 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408828625 IENSXCYVVZVBBA-LWUPDDLQSA-N 644.027 5.481 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408830278 PDPJRGPWYBFEMF-KEPJHFNWSA-N 865.484 6.282 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408936278 HMDZNDHPXVKOOJ-FUFNRSNVSA-N 587.654 5.062 5 40 KKBB CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n21 409010682 DFNVMYYNJXRQBL-GJKZIJEQSA-N 608.716 5.139 5 40 KKBB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 409174821 VRQFJJUGWBCVRE-XMMPIXPASA-N 501.322 5.788 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409175466 ZLSKCBOJKMAPPH-UHFFFAOYSA-N 624.159 6.939 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O 409182213 JJZMZLPMHGUACH-SANMLTNESA-N 608.912 6.849 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409267721 OQVNXZNHLYMQII-DHRITJCHSA-N 615.586 7.096 5 40 KKBB COc1ccccc1N1C(=O)c2ccccc2N[C@]12C(=O)N(Cc1cccc([N+](=O)[O-])c1)c1ccccc12 1088849 VZYGTGSGRUMRPS-LJAQVGFWSA-N 506.518 5.076 5 40 KKBB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1Cl 2318901 MGDCCUYUZHFWFZ-UHFFFAOYSA-N 503.902 5.811 5 40 KKBB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H](C[N+](=O)[O-])[C@H](/C(C)=N\Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[C@@]4(C)CC[C@@H]32)C1 8406370 UCEHKNHPQSKYBD-PXNQYNJWSA-N 597.669 6.304 5 40 KKBB biogenic COc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2C2CCCCC2)c([N+](=O)[O-])c1 15910663 APTWITHRGCXIFC-UHFFFAOYSA-N 527.603 5.115 5 40 KKBB CC(C)(C)c1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 96398721 XGOLNSANPVCWDN-NMWGTECJSA-N 506.602 7.674 5 40 KKBB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccc(Br)cc5)cc([N+](=O)[O-])c4)c(Cl)c3N2)cc1 97949206 BETFYNBAUVZZSY-YADHBBJMSA-N 666.838 7.921 5 40 KKBB CC(C)(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1 100957920 IHAYLUJMNNHOEY-UHFFFAOYSA-N 540.601 7.087 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 101249656 NOMWOLSPSJFZEY-VXNXHJTFSA-N 507.930 5.088 5 40 KKBB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)Oc1ccccc1 101631717 RTCRZNBDFJWQMU-QHCPKHFHSA-N 527.562 5.538 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 106701839 TZAGYZINWHYZGP-MYYYXRDXSA-N 504.564 6.117 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 205658984 PIVZZUQMHMBMAL-FSJBWODESA-N 668.868 7.206 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222863779 MCCQVQCNWJVWHX-WJOKGBTCSA-N 695.194 5.155 5 40 KKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1 224507102 VUAJIIRKHUROQR-PKTZIBPZSA-N 520.412 5.720 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225267050 JCMYCVYVZPFTDT-YTTGMZPUSA-N 628.751 5.347 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225570035 HZQNNFPQWQQXBU-JGCGQSQUSA-N 697.641 6.653 5 40 KKBB CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225635750 OIHQEFVPQJAEDG-LJQANCHMSA-N 607.516 5.039 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)cc1Br 229860731 KHLJOYIAPCVLOW-IDFSYQMWSA-N 650.485 6.348 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 408574005 UJKVFJHGWHCKDJ-DEOSSOPVSA-N 569.481 6.344 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C(=O)O)o2)c1 408632228 IBQCYXUDIRZYGZ-MTJSOVHGSA-N 525.495 5.148 5 40 KKBB CCn1c(S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408632887 KWUDHRLLODTXHM-WYMPLXKRSA-N 599.090 6.913 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408638312 REJDSKPBAISPAR-MUUNZHRXSA-N 656.647 7.052 5 40 KKBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408639923 GSWZJGOSQFMUCR-RHXIEZMQSA-N 696.154 5.679 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408648600 WUECBZODSQXYMA-SPYNFDBNSA-N 660.466 5.414 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408821364 GPVDJQOLOALDCQ-SAGCDJCOSA-N 657.745 5.471 5 40 KKBB CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 408945092 HFKSAGBRKAQRJL-OKMHPQNISA-N 722.614 5.844 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 409080453 HZIUWTMWLAHSAH-ZTJHJZSNSA-N 661.523 6.358 5 40 KKBB CCCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2ccccc21 409112223 BIRRFNGJECLHLL-NDENLUEZSA-N 572.253 6.996 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OCc3cccc(Cl)c3)cc2)N1Cc1ccccc1 409117089 QCMKXOLKAWEQMC-UUWRZZSWSA-N 590.079 8.189 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409176784 XRVWBFQRDUHTAH-AREMUKBSSA-N 559.512 6.343 5 40 KKBB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409376477 AZVIMGMVBCVWSQ-OAQYLSRUSA-N 530.400 5.704 5 40 KKBB Cc1ccc2c(c1)N(C(=O)c1sc3cc([N+](=O)[O-])ccc3c1Cl)C(C)(C)C[C@]2(C)c1ccccc1 1791322 XZUMETNZKDZZSR-MUUNZHRXSA-N 505.039 7.906 5 40 KKBB COc1ccc(Cl)cc1-n1c(SCc2cc(=O)oc3ccc4ccccc4c23)nnc1-c1cccc(Cl)c1 3297102 LXCRGICVDHVECO-UHFFFAOYSA-N 560.462 7.802 5 40 KKBB O=C(c1sc2ccccc2c1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 9971676 VDJPOGQHSDUCDW-UHFFFAOYSA-N 507.015 6.037 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3n2)cc1 22832410 VJVQCQZJCIZCEU-UHFFFAOYSA-N 508.376 5.995 5 40 KKBB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3n2)cc1 59294061 OSSMXRLOVMAMIB-UHFFFAOYSA-N 500.559 5.134 5 40 KKBB O=C1[C@@H]2C[C@@H]3[C@@H](C[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C1(Cl)Cl 100704661 FOKXNSDHYMSFQJ-RHLDHFDOSA-N 545.033 5.572 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1ccc2ccccc2c1 101021076 FASIIPMPGPJKRF-GXDHUFHOSA-N 545.336 6.222 5 40 KKBB Cc1c(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccccc3Cl)C3=C(N=4)c4ccccc4CC3)o2)cccc1[N+](=O)[O-] 103860521 CZNSMTDXTYYCJM-UAMLYEQYSA-N 580.065 6.449 5 40 KKBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 104059199 BSYIHBQFXRTASG-NLDZOOGBSA-N 579.565 5.182 5 40 KKBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2)CC1 104086805 XJTPGKRHRGQAAP-UHFFFAOYSA-N 585.469 6.340 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccccc1 111465299 MORCKYCOSRIIQY-ZHGFHMGHSA-N 591.645 5.412 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 112237537 YNORDNHIKRCOQP-UHFFFAOYSA-N 566.039 5.637 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214064886 MGVVQITTWHQDOP-SSDVNMTOSA-N 541.925 6.194 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222794099 WEMQICLFLQDOJV-MHZLTWQESA-N 598.563 6.003 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223508392 DJDOJQCRQUSQHJ-SSEXGKCCSA-N 679.593 5.329 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223841223 LUUYSABRLCZAJN-BCHFMIIMSA-N 588.488 5.844 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224094349 SWTWCOHRLLDVIA-QHCPKHFHSA-N 657.189 5.279 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225339309 ITFWWFJOYXUBTD-AREMUKBSSA-N 621.543 5.431 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 247351545 WBXVQSYZJIZOMV-QYBQGZQNSA-N 620.459 6.213 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260922020 MLZIXSLUXRWLDD-UUWRZZSWSA-N 733.685 6.642 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 408568070 HNBPZQIWIKBVEY-MUUNZHRXSA-N 605.514 7.189 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3Cl)c(Cl)c1)[C@@H]1CCCN12 408568976 VKWBWWDUBRLMOB-UQBYDPJISA-N 524.404 5.627 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408686300 RJRDCUSFAKAFGJ-ZYNNUQKQSA-N 669.088 5.507 5 40 KKBB O=C(Oc1ccccc1Br)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Oc4ccccc4Br)c3cc12 408720808 ZUJJAHIIWZYKNW-UHFFFAOYSA-N 730.412 10.080 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733793 RGPQEOWQHOGDAX-BXMULHQWSA-N 813.908 7.724 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 408774665 PZVJRDRLKIXKJM-UTAOYMJKSA-N 662.724 5.378 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc(Br)ccc4c3Cl)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408839478 SXVLSJSZRRAXQM-GIJQJNRQSA-N 718.390 9.056 5 40 KKBB O=C1[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 408917886 CJBCSAPPDSMGPE-YQORSWRPSA-N 554.194 5.261 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]23)cc1 408973433 AUDUQTPCFRXWJI-VIBBIMNMSA-N 644.727 7.709 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409032455 JAIUAGSCMGYBLS-PZMHTZOMSA-N 754.865 7.627 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(OC(C)=O)c([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1 409044889 FBRPSUCMXZBNSS-ULQRSLTBSA-N 720.734 6.726 5 40 KKBB Cc1sc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)nc1-c1ccccc1 409129474 GRTGRAYMCZJUPV-NRFANRHFSA-N 565.681 5.013 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 409184091 WTBZFQAOUAWGAT-YDZHTSKRSA-N 505.552 5.709 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409190754 QLYQTGIMPNVGOQ-PQNXSAFSSA-N 801.759 7.809 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCCO2 409194331 AQLJNVCWHNVKOQ-FMCGGJTJSA-N 584.031 5.846 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(F)c(Cl)c1 409224279 KQOKVSIJDCLWMF-DJKKODMXSA-N 536.324 5.976 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c1 409272219 MMWYTPAPUHBOTR-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB c1ccc2c(c1)[C@@H]1C[C@@H]2[C@@]23c4c5c6c7c8c9c(c%10c%11c2c2c%12c4c4c%13c5c5c7c7c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c%25c%15c(c%15c9c%10c9c(c%24c%10c%22c(c2c%11c%109)c%21c%12c4c%20c%18c%13c5c%17%14)c%25%15)c87)[C@@]%162[C@@H]4C[C@H](c5ccccc54)[C@]%23%192)[C@@]613 504656692 HQCAMIYWHBVPQE-OALKDACSSA-N 952.986 19.427 5 40 KKBB in-vitro Cc1cccc(Oc2cc(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3cccs3)N4)cc([N+](=O)[O-])c2)c1 1299894 RWGFMHOLNXVREQ-SIKLNZKXSA-N 543.527 6.866 5 40 KKBB C[C@H]1C[C@@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 1784077 ZWYADODLGKHDSA-WTYVLRPYSA-N 536.544 6.330 5 40 KKBB Nc1ccc([N+](=O)[O-])cc1N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 4043345 IJYDXHRZQATNBJ-UHFFFAOYSA-N 598.827 5.028 5 40 KKBB COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCNc3c4ccc(Cl)cc4nc4ccc(OC)nc34)c2n1 5663617 OGBXXNAUPQNXTC-UHFFFAOYSA-N 601.538 8.288 5 40 KKBB CCOc1ccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 6089994 SJDDRCLNDYUORN-UHFFFAOYSA-N 518.599 5.226 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@H]2C=Cc3ccccc3N12 8971492 BVJVHLGHIWYVMX-YCAMKHIRSA-N 509.787 5.999 5 40 KKBB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c2ccccc2)c1 12654831 ABMYDLKVHJAAGE-HHHXNRCGSA-N 501.583 5.985 5 40 KKBB CC[C@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc([N+](=O)[O-])c1)CC[C@@H](C(C)(C)C)C2 35415642 KMIRVBGIUYWYKN-QUCCMNQESA-N 526.703 6.263 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 100310928 LZNAFGOAIUSZBZ-KRXBUXKQSA-N 573.812 6.051 5 40 KKBB CCOC(=O)C1=C(C)N=C2S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)[C@H](O)N2[C@@H]1c1ccc(Cl)cc1 100545013 GQXFPRLTTCKRAU-KWXLEUCMSA-N 586.453 6.818 5 40 KKBB COc1ccc(C2=NN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@@H](c3ccc(Br)cc3)C2)cc1 100562287 XXRPIMQQACYWKT-JOCHJYFZSA-N 525.315 5.266 5 40 KKBB COCCn1c(=N)c(-c2nc(-c3ccccc3)c(NC(=O)c3cccs3)s2)cc2c(=O)n3cc(C)ccc3nc21 102621013 VRILZNYHAAXSHB-UHFFFAOYSA-N 568.684 5.188 5 40 KKBB O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 103791494 OAIDWHNFVSSKPE-HRIDGTDGSA-N 566.038 6.140 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4nc5cc(C(C)C)ccc5o4)c3)cc2[N+](=O)[O-])CC1 104098996 GMZDRHYJXMQCMK-UHFFFAOYSA-N 533.028 7.668 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccc(F)cc2)sc2c1CCCC2 150390146 BOZMQFWJKKPLGD-UHFFFAOYSA-N 638.703 5.092 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c2=O)=N1 150393933 IXGLRVQTXHIXKJ-PRLWALMFSA-N 682.549 5.526 5 40 KKBB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 150479647 OHAFTIWTFWEBAK-UQAREAAPSA-N 650.113 6.133 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 163629077 GQSOGVUOAGBJHJ-VIYYDIFJSA-N 755.556 5.195 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2=O)=N1 164186673 VYPBAKSCKUTBKY-FJNIOPPGSA-N 674.688 5.204 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 208358738 BVVJJMPKEUKPFQ-NAIWQIQESA-N 674.529 5.891 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 208359085 OJUFJERXUAYBJS-DFXMODJXSA-N 635.698 5.447 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222720279 OJVCDJDXTYHKOV-JGCGQSQUSA-N 646.741 5.342 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 225024174 NCARIIAPGCHOBP-LJAQVGFWSA-N 671.614 5.131 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(F)cc1 408564765 AAYKVIZBGIBPFQ-SANMLTNESA-N 522.602 6.111 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)[C@H]1CCCN12 408566339 NNYFBZOOFHUSCU-RAKSCHNQSA-N 524.404 5.627 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 408661178 BIERRISXEXFHMM-WVMBUTMQSA-N 512.559 5.017 5 40 KKBB CN1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 408811201 MIYGNQMTCCNLCU-NVNXTCNLSA-N 622.178 5.049 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 408821121 CRQMARHBSFISBV-SELCLYCASA-N 655.132 6.321 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408985449 KRROXLBKBNGWRA-CBZJRHMXSA-N 740.838 7.239 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409007838 SQVUZAJQOALTHY-HAHDFKILSA-N 616.433 6.066 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409037402 NLFWHONHUHYFRU-BXMULHQWSA-N 848.510 6.448 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409135822 WCAIQPABPMGPSX-OEAKJJBVSA-N 622.481 6.794 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 409177713 GPSCMWNPLCNLDM-HHHXNRCGSA-N 605.386 6.492 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409177752 COYFUZOQXMGCJH-SANMLTNESA-N 535.961 5.862 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409178908 KBOONCASVGXZGA-XKZIYDEJSA-N 534.550 5.083 5 40 KKBB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 409243051 UXMRGPGIQZGDPA-LPYMAVHISA-N 522.355 5.338 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O 409261495 CLSFECVQOGXHER-SSDVNMTOSA-N 652.401 6.852 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)c1C 409262939 GHJFDKMYSXECDX-FOKLQQMPSA-N 650.429 7.460 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409373379 IKHZJIUOSQBIMX-DHRITJCHSA-N 606.613 6.294 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O)N1CCCCC1 409381570 GXDVKVSNIGRXQS-NDENLUEZSA-N 550.420 5.529 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 8427227 LBKBLDUHLZGLAD-PNJIRECESA-N 602.646 6.784 5 40 KKBB O=c1c2ccccc2c(=O)c2c1c(NCCCN1CCc3ccccc3C1)cc1oc3ccccc3[nH]c12 9462301 CBXGLWAIHPUJFQ-UHFFFAOYSA-N 501.586 5.801 5 40 KKBB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 13016851 WBHSDOFOHKISBE-UHFFFAOYSA-N 516.579 5.284 5 40 KKBB COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1[N+](=O)[O-] 32115064 YPRKDRPDCUMVSA-UHFFFAOYSA-N 504.524 5.037 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 100307605 CQJBEMHCSTXRKS-QARYAGPDSA-N 578.046 5.353 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)c(F)c4F)C3=O)cc2[N+](=O)[O-])cc1 100368768 MQTPSDFJBMNKTO-JAIQZWGSSA-N 559.547 6.147 5 40 KKBB CCCCn1c(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)nnc1S[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 100817336 RBLGRDZOMCLJNX-KRWDZBQOSA-N 614.750 5.071 5 40 KKBB Cc1ccc(C(=O)O)c([N+](=O)[O-])c1Sc1cc(OCc2ccccc2)c([N+](=O)[O-])c(C(=O)OCc2ccccc2)c1[N+](=O)[O-] 100933269 PYLMTPPBNRNGGP-UHFFFAOYSA-N 619.564 6.505 5 40 KKBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 101895234 ZROFMDBZHNTQJE-MCIGQYRZSA-N 575.496 7.939 5 40 KKBB O=C(Nc1ccc(Cc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 102242664 OTNOTJMFPHNYKS-UHFFFAOYSA-N 586.473 5.415 5 40 KKBB Cc1ccc(C2(c3ccc(C)cc3)S[C@]3(SC(C(=O)c4ccccc4)=NN3c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 102420226 JXKLFEPEQYILKD-PSXMRANNSA-N 613.764 8.810 5 40 KKBB COc1ccccc1N1CCN(CCNc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)CC1 102440260 NTEXYTGXMHHWDD-UHFFFAOYSA-N 602.735 6.481 5 40 KKBB CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1OCC 102462620 JLVSUSJIVUCXBT-LJAQVGFWSA-N 633.742 6.009 5 40 KKBB COc1cc(/C=c2/sc3nc4c(C)cc(C)cc4n3c2=O)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F 102779904 LQKCHFLELHBXRZ-SSDVNMTOSA-N 541.507 5.802 5 40 KKBB O=C(O)[C@H]1C[C@@H]2[C@H](C[C@H]1c1c3ccc(=O)cc-3oc3cc(O)ccc13)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104224127 MFLKJTWDLMBFCM-BTTMZFEZSA-N 609.116 7.260 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1 105319570 QSTPZNNEWPEXHF-SOFGYWHQSA-N 593.684 7.702 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)c1 111468539 IKCUTEGYAPUZBT-JLKMOJGBSA-N 622.659 5.059 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 150390908 FLSINFJHMHQELY-PNZYDNNZSA-N 640.537 5.451 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 214334698 CTHWTSZNNYKQME-FOKLQQMPSA-N 573.396 6.321 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223451273 RZZPKVKMZWCDNE-NRFANRHFSA-N 526.486 5.857 5 40 KKBB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CCCC1 224770176 ILTXKZWXHYPGRE-KYJUHHDHSA-N 569.756 7.852 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 225175223 YAXQQFANTVUTAR-RRPNLBNLSA-N 527.606 6.084 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225187102 TUVFYXBZXVDEHL-QHCPKHFHSA-N 701.640 5.736 5 40 KKBB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 225354734 KGDVSTXJACAMQC-FTJBHMTQSA-N 500.580 6.214 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccs1)[C@]21C(=O)Nc2ccccc21 248334048 KUEKYYDBCBGJPW-BQUCCUTGSA-N 561.619 5.903 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260956488 WYBHZYXXIQKABN-PGUFJCEWSA-N 767.732 7.503 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 408565422 BVLZZFZKYOSOIX-DLXDESGFSA-N 525.964 5.025 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408568335 TWPMLYBKOOEWNA-UMDVNSCSSA-N 534.012 5.372 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1C 408571079 NHRRHOMNCYPVQD-VWLOTQADSA-N 543.476 7.188 5 40 KKBB CC(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408665583 UATKSPQQKBRAKW-WSBYISODSA-N 564.425 5.151 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408683759 MANKGYZREJJXNX-TUSFPTNYSA-N 692.981 6.906 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 408774164 BPGXMUHAWJTTAA-MFCBUNOESA-N 652.498 5.187 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408829638 POQAHOVRLINAHD-VVNKCDPRSA-N 705.023 5.611 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408837687 LGMJGOHVUWFKIL-WGJPBTIMSA-N 651.697 5.429 5 40 KKBB O=c1/c(=C/c2cccc(OCc3ccccc3Cl)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408847254 ULVWERPKCUJRDB-KFOJKGMOSA-N 606.103 6.459 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c1 409161020 SIVWYNVMOMPOJT-OEAKJJBVSA-N 503.536 5.157 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409161853 QLLPYDQJIRWFGS-CCVBWGSMSA-N 761.876 6.772 5 40 KKBB COc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 409176424 MXFSRQHPKQJJFD-MHZLTWQESA-N 536.496 5.185 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409227885 SMJIZHJLPGNUAB-ZVHZXABRSA-N 670.460 5.271 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409374490 QZVUHIGDUYZUSJ-QRVIBDJDSA-N 562.604 5.781 5 40 KKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2631451 DADWEYCXEZGXEX-UHFFFAOYSA-N 513.889 6.096 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 6227720 SCQMNFDZMOSBFM-LYRGBEMXSA-N 584.437 5.273 5 40 KKBB O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])s1 101079738 IYCULHDZUXSZTC-UHFFFAOYSA-N 516.782 5.125 5 40 KKBB CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OCc1ccccc1 102974255 SEYMZTBNRWSFSB-DYIKCSJPSA-N 565.582 5.624 5 40 KKBB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(Cl)cc1Cl 102974506 PYEPPQLVXDODKE-UHFFFAOYSA-N 528.801 6.023 5 40 KKBB CCCn1c(C)cc(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc([N+](=O)[O-])cc2)CCC3)c1C 103139120 MTJGCOMIKFUFKB-PTGBLXJZSA-N 537.616 6.888 5 40 KKBB Cc1cc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C 103790733 LGIIUPUVDIILQP-MIUGUJGPSA-N 565.676 6.165 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 110128982 JKBHFZDPKGFWKW-PRLWALMFSA-N 571.655 5.398 5 40 KKBB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112239930 IVTDGIJOBYAXBD-UHFFFAOYSA-N 552.012 5.328 5 40 KKBB CC(C)[C@@H](NC(=O)CNC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NSc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C 150383059 JVADZRVXECAVKU-CYEXUTLASA-N 728.937 6.884 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 150391881 WJRVBGKMNRCLEM-FWESEHMYSA-N 686.540 5.875 5 40 KKBB COc1ccc(CCNC(=O)CSc2nc3cc(C(=O)NCCc4ccc(OC)c(OC)c4)ccc3c3nc4ccccc4n23)cc1OC 150443204 ZGFFAXGOLWLJLD-UHFFFAOYSA-N 679.799 5.494 5 40 KKBB C[C@@H]1N(C)c2cc(NC(=O)c3ccc(F)cc3)c([P@](=O)(Nc3ccc([N+](=O)[O-])cc3Br)N3CCOCC3)cc2C1(C)C 150682193 BMTFUVKAGQZJFL-MIRGRRQUSA-N 660.481 6.127 5 40 KKBB O=C(NC(=S)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 161945500 UOPISBVVCLBPJS-UHFFFAOYSA-N 661.401 7.124 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)C 224115034 VBQZZIZEOUEGKE-KAYWLYCHSA-N 541.633 6.330 5 40 KKBB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)(C)C 225119380 UGSMHIDXHSKWPZ-RRPNLBNLSA-N 571.659 6.420 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260996381 OPIBWHDBPDIPPW-MGBGTMOVSA-N 751.700 6.424 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408567279 QSLAEPBAOGXIEP-NTNMMNSMSA-N 523.589 5.386 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Br)cc1 408568544 HZRFKXIYGQORRA-SANMLTNESA-N 583.508 6.734 5 40 KKBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])c(Br)cc1OCc1ccc(I)cc1 408603622 GMNXVDHVJWLSCU-VMPITWQZSA-N 571.165 6.016 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408660823 WYNBMHLKYXPPJO-YASBFDIKSA-N 722.666 5.855 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408836225 ZVLMOAZCNMMONP-UAMLYEQYSA-N 692.588 5.835 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 408909118 GBJKJESCLXSOHW-ZHGFHMGHSA-N 653.738 5.493 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409001242 OMZSXDMFFOZWAE-KMCFWPMWSA-N 915.569 7.354 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 409084198 BWFGASYLIWPPIL-AFOHCANTSA-N 693.807 5.922 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409155643 LXEPVSHTEANLIY-MFKUBSTISA-N 563.588 5.256 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc2c(c1)OCO2 409167340 ILGLENXZRKDHJE-AWQFTUOYSA-N 572.349 5.021 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)C1=O)Nc1ccc(I)cc1 409259210 YBMJHAVFWPJBFJ-NKVSQWTQSA-N 674.385 5.002 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccc(Cl)cc2Cl)cc1 409324858 VIMMIEKEJGKRIO-UHFFFAOYSA-N 522.410 5.348 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409338174 FGJRHCOYEHFIJX-FSJBWODESA-N 643.428 6.132 5 40 KKBB CN(CCOc1ccccc1)C(=O)CCC(=O)[C@H]1CC(C)(C)[C@@H]1CCc1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 643587842 NJJLTHQBRDPLDQ-IZZNHLLZSA-N 532.641 5.467 5 40 KKBB CC(C)(C)c1cc(/C=C\c2cc(/C=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c1O 5080574 XATKKLKCHOLDIJ-VMNXYWKNSA-N 628.810 10.445 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 8426141 QFNUMOYWXUNSHZ-PKNHVDRJSA-N 637.442 5.538 5 40 KKBB COc1ccc(CSc2nnc3c4c5c(sc4n4c(SCc6ccc(OC)cc6)nnc4n23)C[C@H](C)CC5)cc1 8432395 ARQAWDFEMGZFEC-QGZVFWFLSA-N 588.784 6.713 5 40 KKBB CCN1CCN([P@](=Nc2cc([N+](=O)[O-])ccc2OC)(c2c(C)nn(-c3ccccc3)c2C)C(C)(C)C)CC1 12579238 AINKOLQFKJWBFA-KXQOOQHDSA-N 538.633 5.915 5 40 KKBB Cc1ccc(N(Cc2ccc(Br)cc2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 15978659 MQPSFWVSGDCTLB-UHFFFAOYSA-N 509.809 6.023 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59953586 AZTODMWRKOXUIM-UHFFFAOYSA-N 575.643 5.036 5 40 KKBB CCCOc1ccc(C(=O)[C@H](CC[C@H](C[N+]2(C)CCCCCC2)C(=O)c2ccc(OCCC)cc2)C[N+]2(C)CCCCCC2)cc1 95856900 XMHLZAHIUHUCOP-LQFQNGICSA-N 634.946 8.384 5 40 KKBB O=[N+]([O-])c1cccc(/C=C2\CCC[C@@H]3C2=NN(c2nc(-c4ccc(Br)cc4)cs2)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 96022664 OLXHDERNBBFXMA-DTKUUYAJSA-N 616.497 8.190 5 40 KKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1)N1CCc2ccccc21 101140166 WUKIVPIMWQJHIS-UHFFFAOYSA-N 540.523 6.028 5 40 KKBB O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1 101337057 LEDBOKOXPRJOOM-FQEVSTJZSA-N 532.862 5.263 5 40 KKBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 102894327 BFUMWFUBEKUPJU-UBFVSLLYSA-N 584.799 6.866 5 40 KKBB Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 103552794 WMZUMKLGYFTYLW-BESNRVDSSA-N 535.600 5.492 5 40 KKBB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3O)nc2c1 105310952 PAOFTDYGXOONGX-UHFFFAOYSA-N 528.546 6.112 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(Oc3ccccc3)cc2)cc1 105820762 GKJUBHPMBRPYQC-UHFFFAOYSA-N 531.590 5.838 5 40 KKBB O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 150397486 WKCLJOYUAHBGEI-UHFFFAOYSA-N 682.645 9.385 5 40 KKBB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 198320639 WIJYDSWZTMTTKQ-UHFFFAOYSA-N 669.059 5.902 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214350367 ZLJIJDFEOBVLMC-SSDVNMTOSA-N 525.470 5.680 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 215241746 MWJZODCXGJSMGX-KIBLKLHPSA-N 568.991 6.191 5 40 KKBB COc1ccc(N(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 215918843 WVNVYUDGJDDWDL-UHFFFAOYSA-N 630.723 6.296 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223642538 DVZCMILBCXBLQJ-FNZWTVRRSA-N 554.043 5.190 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223787516 BPLSYKQOCUVPSZ-OOXUFLSTSA-N 751.700 6.424 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224941976 LVBHCAWRUGVCKE-MUUNZHRXSA-N 549.668 5.666 5 40 KKBB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225598741 OINCMGDNBNYTGG-LJQANCHMSA-N 607.516 5.039 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 225693993 SKNMGUWACHPHJP-SVBPBHIXSA-N 527.606 5.560 5 40 KKBB CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+]2(Cc3ccc(F)cc3)CCCCCC2)c(C(C)(C)C)c1 226070342 YXSNWSADRLBBNO-MUUNZHRXSA-N 514.746 6.768 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 247358535 YPPHDLHIAYXVKH-LUIYPFIDSA-N 576.008 6.230 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 408566142 NCMLLRQVRSPGEY-JDKFTNMGSA-N 516.356 5.280 5 40 KKBB CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OCC 408569888 KDHOCBZBNIVIMB-HXUWFJFHSA-N 541.855 5.899 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)O)n[nH]1 408632813 SZKAFBNAMYZZBB-UUYOSTAYSA-N 538.969 5.839 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408651595 NOBYVJJPONSFJQ-QYVRTBTHSA-N 592.007 5.381 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408734109 DBUINYRLMKGTJR-PRLWALMFSA-N 638.098 5.417 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 408779447 WXOZRPYSTMFNIH-OIUASMPBSA-N 837.490 6.737 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408851318 BIIIMSFXSLZJPR-QQMBNGEASA-N 643.718 5.081 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc(Cl)cc4)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409141989 ABQQVKVQOUNJFL-JBDHCHCMSA-N 604.084 5.247 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(N2CCOCC2)cc1 409147591 XTJFNDGWIVEWEO-AFUMVMLFSA-N 707.481 6.680 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 409149971 WUTHCBGUUKPWMM-PRLWALMFSA-N 645.763 5.052 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1 409171660 CAKWCBAIRXSTDP-YDZHTSKRSA-N 548.533 5.533 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409177263 GAPCIZWHOVSANR-CDWRSTBESA-N 682.582 6.299 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409206711 VZTLZJZQJWYOBU-FOKLQQMPSA-N 632.876 6.273 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409261006 ZSQIHSZCYCYEBW-FOKLQQMPSA-N 648.438 6.288 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 409262516 FQCXUQFUKWQDGN-FSJBWODESA-N 601.406 6.003 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409262793 HHNZKOBPTBEGGC-BRJLIKDPSA-N 626.485 6.237 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c(C)c1 409373347 HKCRLXDUIJRYAL-SRZZPIQSSA-N 525.970 6.108 5 40 KKBB O=c1/c(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)sc2n1[C@@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 1862548 QCGRFURMBFSCDV-MFUBYVTQSA-N 594.874 5.348 5 40 KKBB CCCC1=C(C(=O)OC)[C@H](c2ccc(Oc3ccc(OC)cc3)c([N+](=O)[O-])c2)NC(=S)N1c1ccccc1 3404271 NTVQGGDDSNKCDS-SANMLTNESA-N 533.606 6.059 5 40 KKBB COc1c(Cl)cc(Cl)cc1C=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 8402523 WKHSHGSKOZYAPL-UHFFFAOYSA-N 533.236 6.204 5 40 KKBB CC1CCN(CCC(=O)Nc2sc3c(c2C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H](C(C)(C)C)C3)CC1 15946939 YEUBUDIQEBUXRP-LJQANCHMSA-N 526.703 6.120 5 40 KKBB CCOC(=O)c1ccc(NC(=O)c2c(NC(=O)c3cccc([N+](=O)[O-])c3)sc3c2CC[C@H](C)C3)cc1 22079127 JQUZKNCNIDQNNY-HNNXBMFYSA-N 507.568 5.462 5 40 KKBB CCN(CC)C(=S)SCC(=O)Nc1ccc2nc(SCc3cc([N+](=O)[O-])ccc3OC)sc2c1 33353624 ZVKMFNUUOCOMIS-UHFFFAOYSA-N 536.726 5.804 5 40 KKBB CCN(CC)c1ccc2c(c1)OC(=O)N(c1ccc(Cl)c(Cl)c1)[P@@]2(=Nc1ccc([N+](=O)[O-])cc1Br)N1CCOCC1 97984313 PDEZXSWSTZSYNY-RWYGWLOXSA-N 683.327 7.850 5 40 KKBB CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@@H]13 100576518 BHKWBTATPFLOTL-DCMDJXMHSA-N 520.626 5.610 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 102792595 RVJNPKVPCKOEAF-ZFEPTCRASA-N 540.834 7.992 5 40 KKBB O=[N+]([O-])c1cccc([C@@H]2Oc3c(Br)cc(Br)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)c1 102972926 VWNOZGKGURHWBE-IRLDBZIGSA-N 563.633 7.016 5 40 KKBB Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 103551675 QHKWHOQKDBIHLI-CTMYTVLESA-N 590.035 6.413 5 40 KKBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)cc2)CC1 104086979 UHQCTWYUOQFRNY-UHFFFAOYSA-N 575.021 6.040 5 40 KKBB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306206 RRHSNTRHKRMHBZ-UHFFFAOYSA-N 542.617 5.794 5 40 KKBB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 105310976 PSDGIGXHJPSUGL-UHFFFAOYSA-N 531.594 5.452 5 40 KKBB COc1ccc(CCNC(=O)CCCCCn2c(SCc3ccc([N+](=O)[O-])cc3)nc3cc4c(cc3c2=O)OCO4)cc1OC 150443497 XVTBYIHIWJUBPV-UHFFFAOYSA-N 634.711 5.262 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccccc4Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)n31)c1ccccc1CC2 163196090 VTMGCTDMMFBQAL-FVUNBJOLSA-N 632.654 5.936 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224765084 YHELDBCHFXKXDB-NDEPHWFRSA-N 531.678 5.527 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224992682 RDWYKXRTAONDRJ-XIFFEERXSA-N 719.658 6.252 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225038171 OGBNWHDSBNBEEJ-XIFFEERXSA-N 709.652 6.796 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225292847 LQQDEZXBSJGLNM-XMMPIXPASA-N 613.564 5.232 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225382221 VRNJWRORGRFBFE-UUWRZZSWSA-N 707.249 6.317 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260883522 CFVLAJYPTOTFOD-ZBLYBZFDSA-N 601.125 5.166 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260970789 IYVKHDDMHBNMHA-PGUFJCEWSA-N 719.260 6.459 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261092386 UHLNJSGNBCWVKB-SYBRLPANSA-N 642.778 5.653 5 40 KKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12 408542144 HLNCFTCSEUAGBR-QXMHVHEDSA-N 509.356 6.955 5 40 KKBB COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408557001 MLBAOBGHKSECHV-HSZRJFAPSA-N 505.379 6.268 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408567804 RJQDBXVIJFBWEO-KBKXWFDOSA-N 558.432 5.703 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1F 408569906 KFWVKIYZJZNDOV-RUZDIDTESA-N 601.498 6.874 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OC)c(OCC)c2)cc1 408570315 KWXDNBCYCAIDLG-FQEVSTJZSA-N 537.436 5.254 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 408570918 MIBVMYUGSGMCET-RUZDIDTESA-N 614.478 6.334 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408572633 RNQKDYUOAXNDSS-RUZDIDTESA-N 593.920 7.624 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1C 408575939 XBLIVILTPLAYHQ-VWLOTQADSA-N 571.472 6.783 5 40 KKBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] 408581601 JJZBRTBYACLPDI-UHFFFAOYSA-N 615.307 6.678 5 40 KKBB O=C(O)/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408631673 AHOXQWHPVSKYBM-MTJSOVHGSA-N 587.839 6.593 5 40 KKBB O=C(O)/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)Sc1nc2ccccc2o1 408632364 DYQDVSIUCYBFMP-MTJSOVHGSA-N 527.352 6.295 5 40 KKBB O=C(O)/C(=C\c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408634798 UTYCWYBUEMJYMX-DEDYPNTBSA-N 510.984 6.402 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 408637760 BBQDRFOCXFZEQS-NOZRDPDXSA-N 608.434 6.275 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408654451 QMHFMMAVKWZHLY-YASBFDIKSA-N 684.104 7.173 5 40 KKBB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1cccc([N+](=O)[O-])c1 408657549 NATGIUARENMPEW-VTHPGETFSA-N 655.490 5.525 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408662248 XNUXCUDMKIKQRD-MOVYAIRMSA-N 636.444 5.392 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408678856 DNKMBACJLCYCMB-ZYNNUQKQSA-N 692.981 6.906 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408680848 HCXWFFDZDQNBOE-UHFFFAOYSA-N 584.155 5.970 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5c(ccc6ccccc56)C4=C[C@@H](c4ccc5c(c4)OCO5)[C@H]3C2=O)c([N+](=O)[O-])c1 408733505 YPLJKYLMYNTFHP-XJALMMSUSA-N 590.544 5.007 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408842419 OSOMUWINIBQGTD-PLNPHXOGSA-N 651.697 5.511 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n21 408947477 QCXXJYILCRBXRV-ZFWDJNJRSA-N 717.392 5.889 5 40 KKBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OCC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O 409018442 HJAJCTAKHVVOPQ-VPNURPJOSA-N 579.425 5.323 5 40 KKBB O=C(Nc1cccc(Cl)c1Cl)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409087670 DCLGPJWCBWKDAZ-UHFFFAOYSA-N 514.368 8.036 5 40 KKBB CCCCOc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409140442 FGHNPYCHUNRLTQ-HKBQPEDESA-N 521.617 7.135 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccccc5)C(=O)[C@@H]34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409147849 ZPNDYJBQQRUQDB-FKXQXMQPSA-N 736.806 5.218 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409162658 GSPPFZHJGBBBDW-SSDVNMTOSA-N 607.950 6.743 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409172210 DDALLOSIWYJPBU-UHFFFAOYSA-N 714.005 6.507 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1cccc2ccccc12 409194279 JJMWMSSFVXFZIK-OCKHKDLRSA-N 502.335 5.730 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(I)cc1 409255369 HMPRJICGDRTVHY-UUYOSTAYSA-N 694.301 6.216 5 40 KKBB CC1CCN(C(=S)c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)CC1 409368997 WRLUQOVCUFODNL-UHFFFAOYSA-N 528.266 6.106 5 40 KKBB O=C(c1ccc2ccccc2c1)c1cn(-c2ccc([N+](=O)[O-])cc2)nc1C(=O)c1nc2ccccc2s1 2191352 NUKCYUPRWVYAIS-UHFFFAOYSA-N 504.527 6.005 5 40 KKBB O=C(OC[C@H]1O[C@@H](n2cnc3cc4nc5ccccc5nc4cc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 8432943 HTDGCNMBXSQBJQ-MGXDLYCJSA-N 664.674 6.338 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1NC1C2CC3CC(C2)CC1C3 100341068 FKOZKEIGGGXGCG-UHFFFAOYSA-N 546.693 5.496 5 40 KKBB CC1=NN(c2ccc(F)cc2)C(=O)[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(C)nn(-c2ccc(F)cc2)c1O 100962859 MMXKQJJYLUXMNE-UKILVPOCSA-N 517.492 5.244 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101311408 OZHQHXSCWYIWIL-TVNXZVQQSA-N 541.563 5.577 5 40 KKBB COCCn1c(=N)c(-c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc2c(=O)n3ccccc3nc21 101349447 IDLKETWYRVWRKP-UHFFFAOYSA-N 589.102 5.533 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OS(=O)(=O)c1cccc2ccccc12 106745588 KRTUHYKYRVEHCN-XYGWBWBKSA-N 576.608 5.761 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](OC(=O)c4ccc([N+](=O)[O-])cc4)CC[C@]5(C)[C@H]3CC[C@@]21C 119086753 KZIYWQYTGHYKMG-PPIOSAIKSA-N 551.768 8.373 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163625843 UOTPTGFXIOBGCC-RWTNITNYSA-N 767.920 6.152 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214223861 KNEAYSDMMCMVEY-ZVHZXABRSA-N 508.527 5.948 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222774174 AMKGIVLGHVMARN-HHHXNRCGSA-N 665.596 5.746 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224474492 UPTWFIPZEVIZKF-YTTGMZPUSA-N 786.145 7.078 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 260971051 JDOCTXNKLRTCMX-AREMUKBSSA-N 665.596 5.231 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccccc1 408570727 LZLPAHXABGSUST-QFIPXVFZSA-N 549.867 7.225 5 40 KKBB O=[N+]([O-])c1ccc(Sc2nnc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)n2)c([N+](=O)[O-])c1 408582112 BMLKXDTXKVVUEH-UHFFFAOYSA-N 589.225 6.698 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408641058 JJJUVDZOTHANHY-PDNQGOMLSA-N 851.104 7.263 5 40 KKBB O=c1/c(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408771653 IMQCYYOITYLLRR-KEPJHFNWSA-N 600.483 6.794 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 408950097 RNTPTZITGZTJMB-WXKAHTKJSA-N 711.196 6.422 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408996832 FFLQXJLPIAUYDY-IYCJABBDSA-N 690.734 6.668 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 409036559 RREWNIMKMAIOAY-KOHOJCOXSA-N 636.730 5.497 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409143224 WFONYXQRQOWMHL-ITNPZBTBSA-N 592.677 5.018 5 40 KKBB O=C(O[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409180922 ZEIZKQPUHFXOFF-AREMUKBSSA-N 535.961 5.862 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 409181226 ZNXAECFVVCIUGH-JGCGQSQUSA-N 633.012 7.622 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1Cl 409274594 QBRKVUFDIPHFLS-ROTLSHHCSA-N 577.018 5.935 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409374675 WIQNUCMOQUSOOP-MXAYSNPKSA-N 625.681 5.280 5 40 KKBB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1 902074 GMZGQYYEBHBJFY-UHFFFAOYSA-N 500.458 6.061 5 40 KKBB CCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3C)o1)N(C(C)=O)c1ccccc1-2 2104622 PVDVUYNDEHPMGU-NDEPHWFRSA-N 559.648 7.132 5 40 KKBB Cc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 2199582 AXRCSBVOXXFKDR-UHFFFAOYSA-N 523.596 6.627 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 6280143 PNPUGCHSAGAWLO-UHFFFAOYSA-N 513.501 5.901 5 40 KKBB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1 6475631 RVDKNWZSHCMWPF-UHFFFAOYSA-N 533.513 5.941 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 22825818 WVBJGXYFNJNVTK-UHFFFAOYSA-N 502.600 5.415 5 40 KKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)COc2ccccc2[N+](=O)[O-])cc1 22826679 XVMICDIEZOUNAK-UHFFFAOYSA-N 503.338 5.691 5 40 KKBB O=C(c1ccc(F)cc1)c1ccc(-c2nc(-c3ccc(Br)c([N+](=O)[O-])c3)[nH]c2-c2ccccc2)cc1 97951174 GSUHZVPBQVSTMD-UHFFFAOYSA-N 542.364 7.452 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 102191125 IUMWQSBZCGWYSD-JWXXLELASA-N 597.671 6.775 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccccc1F 103791171 RPJDDVFCZGPINK-VNOBABJFSA-N 619.674 5.954 5 40 KKBB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC12CC3CC(CC(C3)C1)C2 104828823 WQAFSDGBFUXMMM-UHFFFAOYSA-N 572.005 5.547 5 40 KKBB O=C(NC(=S)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306035 VSDSWDGMDZBLFI-UHFFFAOYSA-N 546.472 5.598 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105480022 CNHHYEAWHCTFOF-UHFFFAOYSA-N 516.560 5.964 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 150363754 UZCUMVIVBUDTQD-MXLMUYMQSA-N 635.654 5.141 5 40 KKBB CCOC(=O)c1sc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C2=O)c(C(=O)OC)c1C 150441534 FXZOKGRNFKHJRE-KCHLEUMXSA-N 715.693 5.207 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 164200184 ZESXQLOWCUWMGV-BXMULHQWSA-N 801.510 6.608 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 164552109 RDDDJZDVIRADJV-KMCFWPMWSA-N 899.501 6.641 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 214054957 BKZQGKLTQNNEBE-CIAFOILYSA-N 500.454 6.642 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223498439 SKCVCNSEHSXRMS-OAQYLSRUSA-N 526.486 5.857 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224880031 GEXOSRNUVLKITK-HKBQPEDESA-N 649.169 5.608 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225253310 IBTJOBVSEOYNHI-LJAQVGFWSA-N 661.608 6.353 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 229861226 KAMVSGGANDFDTA-KEZOAJOQSA-N 567.907 5.540 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229930968 WKIVEZKDGCBOBQ-BEJGJRQXSA-N 597.671 6.649 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261060346 NOYSKQKFBGBICQ-GOXGLGGOSA-N 663.196 5.998 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261108936 XJULNXOEOXEZHM-SFRLIIPVSA-N 737.275 6.324 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Br)cc1 408565928 DHDCPXGDHFKFFA-SANMLTNESA-N 676.431 7.805 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408566411 NUBKWSFACZTSNB-WSNNEZGNSA-N 532.811 5.748 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408605963 HUOKRCPSMLOJRB-UHFFFAOYSA-N 526.214 7.254 5 40 KKBB CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408608031 MBDQDKMRNLYYOJ-UHFFFAOYSA-N 604.184 7.218 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)cc1 408728863 VSAXATNKDHTDOO-BMPBIMJCSA-N 630.700 7.401 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)cc2)cc1[N+](=O)[O-] 408755732 MQIHOUFHZOPPAL-HZHHUVPKSA-N 635.723 5.303 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)c1 408770351 WKWWUXRCSWQGGM-RIFKOAFWSA-N 693.694 5.500 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)o1 408813705 OSOFHIMYGUOCPM-XZIWIXAXSA-N 502.616 7.217 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408847048 SIPQNQSSHPPFCD-WOJGMQOQSA-N 639.494 8.293 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 408858982 VEHGIOMPFIRZFK-XSTKMXAKSA-N 675.550 6.748 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1cccc2ccccc12 408919430 XSNSWEAVLYOAIR-WXKAHTKJSA-N 649.725 5.837 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5cccc(Cl)c5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408938242 HLCJMCRPCCBEOO-ILLSWNIOSA-N 729.005 5.719 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 409082764 NAUKDHBBMZWJJE-NULZLWRNSA-N 627.078 5.704 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409096994 FPJLNZFFNYKXHJ-DTDQMKFYSA-N 652.729 5.442 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])cc1C 409158404 YBHYCCMFXQIAFX-NHDPSOOVSA-N 556.394 5.909 5 40 KKBB CC(C)c1cc(I)ccc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409163349 QFOVVGIENNCAIV-NRFANRHFSA-N 622.489 5.299 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 409189014 HCYZCDTWCJCGBW-PSAPEEBNSA-N 755.665 7.087 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 409259224 YDFASGZKLSXHID-UHFFFAOYSA-N 541.935 5.718 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 409332270 HISMZPBGPLGCJO-QUNTYYFUSA-N 675.075 6.097 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2246087 IZCWHPYBXBBLHC-UHFFFAOYSA-N 500.389 6.006 5 40 KKBB O=C(Nc1ccc(C(OC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(F)(F)F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3180087 GSXOABHYGJFKEY-UHFFFAOYSA-N 591.804 6.586 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 6280793 VJLZZKHAEWKLRE-MRXNPFEDSA-N 538.427 6.033 5 40 KKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 22826687 UTUMLOLKEFIKLI-UHFFFAOYSA-N 503.338 5.691 5 40 KKBB CCOc1ccccc1Cn1c(SCc2ccc([N+](=O)[O-])cc2)nc2c(sc3ncccc32)c1=O 45924039 KTJYOSMAHBQBDP-UHFFFAOYSA-N 504.593 5.654 5 40 KKBB O=C(Oc1ccc(Oc2c(F)c(F)c(Oc3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(F)c2F)cc1)c1ccc([N+](=O)[O-])cc1 97982955 BSWZXUVPSFHFTK-UHFFFAOYSA-N 664.476 8.082 5 40 KKBB Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4Cl)cc3)cc1)C2=O 101459945 QORSYOKYIGNGKI-UHFFFAOYSA-N 593.979 7.055 5 40 KKBB Cc1ccc(N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]2C[C@@H](C)N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3cc(C)ccc32)cc1 102599702 GPINBUBEJZOIEY-RHTDYXTPSA-N 616.674 7.746 5 40 KKBB CCC(C)(C)[C@H]1C/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2nc3ccccc3c(C(=O)O)c2C1 102970353 AWGJZXOMBMPILK-UMADGWCESA-N 531.008 8.294 5 40 KKBB O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O 150385949 WEKDMJXWTVFXRV-UHFFFAOYSA-N 617.826 5.301 5 40 KKBB O=c1/c(=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 150932059 OCRQUHQUBFAZEY-SELCLYCASA-N 729.450 7.331 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224346739 ABCIEXYWRIJZMM-MGBGTMOVSA-N 676.767 5.413 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224790530 KRSLTUGANRUZTA-NDEPHWFRSA-N 679.623 5.994 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 225003818 XWYFPOLMFUGRAQ-VMPREFPWSA-N 574.106 7.317 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225326550 RJTZGQAYSFEYON-VWLOTQADSA-N 513.660 5.093 5 40 KKBB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 225678655 UUKIQEWHIDCXAA-SVBPBHIXSA-N 543.605 5.260 5 40 KKBB CC1=C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5c(Cl)cccc5[N+](=O)[O-])cc4)cc3)C(=O)[C@@H]21 226412309 IBBQLBXXABFNKA-RHYIPFRBSA-N 558.974 6.099 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 229615217 QZCMMIUCUBLAPD-GYPIRZFJSA-N 576.008 6.230 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260967142 LVHLXMHTFRZMPK-RTWAWAEBSA-N 665.596 5.746 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408565443 KTNWDKGOXZTCTO-KLPDMWAPSA-N 612.908 6.135 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(C)cc1 408571359 OMPQYCSVCNKKKH-VWLOTQADSA-N 508.575 5.721 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408638393 CKADXGFENXIBBY-DSJQIVRYSA-N 598.011 5.334 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408683546 LNWOZGJTOHTOMX-FZDFQQAASA-N 563.997 5.698 5 40 KKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 408710441 BWOQTUINPFRWCU-UHFFFAOYSA-N 554.371 6.671 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408734005 USGCMJWLZKSCOR-OBDCIHEFSA-N 609.660 5.437 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408826215 BTBLIHAZBDTATP-MIUGUJGPSA-N 644.662 5.194 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408831585 QZMFNRNVMSWJAO-CRCYZHLCSA-N 608.072 5.407 5 40 KKBB CC1(C)OC(=O)C([C@@H](c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c2c[nH]c3ccccc23)C(=O)O1 409118619 ORTNGGZQUAAXFC-QHCPKHFHSA-N 658.299 6.764 5 40 KKBB COc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409120474 ZTMMJHAFFZTXBF-UHFFFAOYSA-N 535.394 7.349 5 40 KKBB Nc1c(Br)cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Br 409176844 ZFNYTCLNSQBTHA-HXUWFJFHSA-N 534.160 5.483 5 40 KKBB O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1ccc(Br)c2cccnc12 409177564 ABXUFFJSQFZTNC-UHFFFAOYSA-N 550.365 6.160 5 40 KKBB CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OCC)c3)C(=O)O2)cc1OCC 409191178 UJDLYMXBLZPQMG-JCMHNJIXSA-N 546.532 5.355 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 409192584 YUFPTJFBTRIUOG-BYHXYDORSA-N 518.909 5.610 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409205692 FCIMOSYACDQVCZ-NGZBARDMSA-N 593.452 5.713 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1Br 409328025 PENWXNVDWYHVEN-UUYOSTAYSA-N 647.301 6.374 5 40 KKBB O=c1cc(CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCC4)c2c(ccc3ccccc32)o1 3355034 HUNXPQKLBKJABL-UHFFFAOYSA-N 522.651 6.547 5 40 KKBB CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 6134726 IJVZQEXLNRBHNG-UHFFFAOYSA-N 521.639 6.107 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 8401275 PGBMRVNWWUOCNX-UPWSPCOFSA-N 669.634 5.535 5 40 KKBB CCn1c2ccccc2c2cc([P@@](=Nc3cc([N+](=O)[O-])ccc3C)(N3CCCCC3)C(C)(C)C)ccc21 12524750 YNVMDAYCACUVTR-DIPNUNPCSA-N 516.626 8.389 5 40 KKBB COc1ccccc1-c1nnc2n1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C(=O)c1ccccc1)S2 12624718 MDFSTKPXRFELEW-IRLDBZIGSA-N 507.959 5.157 5 40 KKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 22826675 UZQGNDMYHPGJLX-UHFFFAOYSA-N 503.338 5.934 5 40 KKBB CC[C@@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc([N+](=O)[O-])c1)CC[C@@H](C(C)(C)C)C2 35415640 KMIRVBGIUYWYKN-UYAOXDASSA-N 526.703 6.263 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 103791784 CWCMWGSLINJMNJ-MIUGUJGPSA-N 611.035 6.049 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c2=O)=N1 103826925 RZHGVDJCIVMDPG-PKYOQBLNSA-N 617.680 5.072 5 40 KKBB O=C(c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 104048081 PSKLIOBANDLWFU-ANCADKHLSA-N 579.660 5.899 5 40 KKBB COc1ccc(C(=O)Nc2cccc(-c3csc(NC(=O)c4ccc(Cl)cc4Cl)n3)c2)cc1[N+](=O)[O-] 104226531 VYLJWEYHZFZMLB-UHFFFAOYSA-N 543.388 6.538 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 105511724 CCPBYDKZSHXJJV-QARYAGPDSA-N 621.027 5.060 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 111470003 YULMBBIOSWPQNU-FWESEHMYSA-N 609.635 5.551 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1-c1ccc(OC)cc1 166331702 CEGJAGOLPJSJCE-UHFFFAOYSA-N 510.601 5.045 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)o1 205768846 QJMSOCWJPDQSSZ-RGVLZGJSSA-N 562.341 5.705 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 208360720 ZTBLFMSNEGPBIG-YLKQWKBVSA-N 625.659 5.137 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224289749 FZCFLIFKCOSRER-SANMLTNESA-N 523.630 5.133 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc4ccccc4c3)cc2)cc1 224784928 HWNPSDSKDWVIFU-JHOUSYSJSA-N 599.741 8.262 5 40 KKBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cccc1[N+](=O)[O-] 408532993 PAWKUTOKIPHQCN-UHFFFAOYSA-N 510.355 5.028 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 408564996 AXWACIVLHHTIGJ-VWLOTQADSA-N 587.471 6.565 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccc(Br)cc1)[C@H]1CCCN12 408566279 NKVDPPNHLGEYEW-AWTIUKJOSA-N 534.410 5.083 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1ccc(F)cc1 408572081 QOLBIIMBBVXUMQ-HSZRJFAPSA-N 561.408 6.306 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1 408575389 WBXLXCTYXLMHGA-VWLOTQADSA-N 599.507 6.435 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(F)cc1 408687543 UPASGTJDUMFGBC-ZBWOKKAISA-N 670.091 5.421 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cn(S(=O)(=O)c6cccc([N+](=O)[O-])c6)c6ccccc56)c(=O)n42)c2ccccc2CC3)cc1 408769892 QHITYPJZRCARIZ-HWANIQDNSA-N 674.760 5.427 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408945049 WMGRMUIKAXUVFE-VPHSIRQSSA-N 601.681 5.371 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1ccccc1 408987568 BGWKALDVJNFJIW-RJQPNXBESA-N 666.762 6.198 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc5ccccc5c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 409083791 OPTGEIAFYIHCHO-GSTVVXAASA-N 775.621 6.442 5 40 KKBB COc1cc(CNc2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409113572 HKGRBHSXQZIIOO-UHFFFAOYSA-N 504.324 5.708 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(N2CCOCC2)cc1 409149418 FVFWSHQDDMJICF-MFKUBSTISA-N 628.585 5.918 5 40 KKBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n[nH]1 409154645 NZCKERBYAPLPGR-HXUWFJFHSA-N 616.523 5.457 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 409156413 FSFHYNYKPCITNR-QFEZKATASA-N 526.574 5.581 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 409160513 QRWPUNXHMDMOBL-SRZZPIQSSA-N 577.924 6.734 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409166020 BVEZQTRFMZBPMP-ZMOGYAJESA-N 592.586 5.986 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(Br)cc1 409166187 COJMZYBKYVVEKJ-YBFXNURJSA-N 528.340 5.292 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1 409166405 DGOACAKPCIYSLP-RGVLZGJSSA-N 529.983 5.905 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1cccc(Cl)c1 409168165 KZPJMWZFPIFYNR-UFFVCSGVSA-N 577.924 6.734 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl 409170966 XOPYWCCHZRFKLB-DHRITJCHSA-N 718.966 6.840 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409192616 CWGJPLKAWZTWMA-ISZRBDKASA-N 775.309 6.587 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc(Br)c(Cl)c1 409204125 BPFMQMGGWXNRCM-SSDVNMTOSA-N 602.850 6.265 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409226994 WYZNPTUUZVHHGV-MTJSOVHGSA-N 570.377 5.472 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(I)cc1 409271739 WLMUTBIVWPRDCS-FBHDLOMBSA-N 748.271 7.448 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2246740 MGRLGZJQJCLFTC-UHFFFAOYSA-N 509.953 5.082 5 40 KKBB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)OCc1cc(=O)oc2ccc3ccccc3c12 3295624 QLYCGAXQOWEJRP-NTCAYCPXSA-N 556.574 6.327 5 40 KKBB O=c1oc2c(c(O)c1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)c(=O)n(Cc1ccccc1)c1ccccc21 8384826 KOIIBBRJYXVUMC-UHFFFAOYSA-N 562.814 5.655 5 40 KKBB O=c1oc2ccc(Br)cc2cc1-c1cnc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@H]3[C@H]2c2ccc([N+](=O)[O-])cc2)s1 97971248 IXVSSQSPYOQCNA-JUPMHJSKSA-N 684.528 8.296 5 40 KKBB CC(C)(C)[C@@H]1C/C(=C/c2cccs2)c2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)c2C1 97979673 VFTGBVZOTAWEEE-RMWKRFJVSA-N 555.656 7.149 5 40 KKBB CCOC(=O)[C@@H]1CCCN(CCNc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1 102449547 JMDJFLPCXIDHKZ-HXUWFJFHSA-N 567.686 5.925 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103532320 OZHQHXSCWYIWIL-PBNWVGGGSA-N 541.563 5.577 5 40 KKBB O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105321580 RAAWWNPHUVZTRI-UHFFFAOYSA-N 534.016 5.063 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106706481 IBSBITLGVROCKP-CFRMEGHHSA-N 554.602 5.224 5 40 KKBB O=c1/c(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 163500474 RDTXGYDWBYINCQ-SELCLYCASA-N 857.895 7.669 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)ccc5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)c1 163772006 XWOYZFXROMXZRC-UDHMSBBDSA-N 680.580 6.577 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222887417 KICUZIPFNIQREH-UMSFTDKQSA-N 741.694 6.826 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223755650 SSATZRCBUBQNRP-HHHXNRCGSA-N 601.125 5.167 5 40 KKBB C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223979437 WCOVYMMKNCBGER-MRXNPFEDSA-N 524.470 5.611 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224068485 LVJPOUSZMHXZPR-HHHXNRCGSA-N 519.667 5.303 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224396826 PNQSZEPYJYNXOG-HKBQPEDESA-N 646.741 5.484 5 40 KKBB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 224549165 PWNCRLIAJMWJOF-LOSJGSFVSA-N 502.552 5.444 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224552162 FDIMRONPBYJRCW-MGBGTMOVSA-N 727.667 6.580 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(Br)cc3)cc2)cc1 224782494 WDCQPMFUABJSFB-URLMMPGGSA-N 628.577 7.871 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225263300 NCANRBVXWCYIAU-HHHXNRCGSA-N 519.667 5.384 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225363735 MLQGYLDGNGZPNO-FCHUYYIVSA-N 661.177 5.101 5 40 KKBB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225598665 RLHUDJAKZPIXJM-LJQANCHMSA-N 607.516 5.039 5 40 KKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1 408543611 PHTQNZKOYIIEEH-TWGQIWQCSA-N 540.741 6.297 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccccc3F)c(Cl)c1)[C@H]1CCCN12 408570069 YKSFFEJOWQISHA-JQHZVFBJSA-N 542.394 5.766 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1 408573022 SFBYZVXJYJKKOD-DEOSSOPVSA-N 511.003 5.927 5 40 KKBB O=[N+]([O-])C[C@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 408577771 ZUKJZCNLALYZLB-HXUWFJFHSA-N 520.210 7.225 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1C 408750057 KCRQRUCRTVJTOC-UHFFFAOYSA-N 518.576 5.353 5 40 KKBB Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C(=O)O)cc3s2)c1 408750527 OKOCNXXKJOUWNR-UHFFFAOYSA-N 522.564 5.194 5 40 KKBB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408843864 NYTSMYRKBPMICK-QGMBQPNBSA-N 652.693 8.096 5 40 KKBB O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408984829 NBCOGFWHVJBZOH-UHFFFAOYSA-N 645.191 8.129 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409049990 RWIQWRJIEIUBEY-IVRZUQNJSA-N 784.613 5.138 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409097434 IKPLKQGTCIQRPZ-DAIZXWHWSA-N 664.809 6.325 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 409157518 VUPQJGNACJYXPL-SSDVNMTOSA-N 589.573 6.803 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 409163518 SPRGIFVZBGYNGR-WSDLNYQXSA-N 548.533 5.587 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)c1 409172578 DBQHSBUFIRAMGP-SSDVNMTOSA-N 589.573 6.803 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 409195155 RRPLEHUESUKVFC-RGVLZGJSSA-N 535.792 7.375 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 409212219 OSURRKLFTMZYLQ-KEBDBYFISA-N 535.792 7.375 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409274604 QGRLXNZHTZZFCD-MFKUBSTISA-N 563.588 5.256 5 40 KKBB CCCC[C@H](CC)Cn1c(=O)c2ccc3c4c(-c5cccs5)cc5c(=O)n(C[C@H](CC)CCCC)c(=O)c6ccc(c7c(-c8cccs8)cc(c1=O)c2c37)c4c65 1776011025 SAHPZSAVAOLELM-HNRBIFIRSA-N 779.040 11.853 5 40 KKBB Cc1ccc(C(C)C)c(Oc2cc(NC(=O)c3cnn4c3N[C@@H](c3cccs3)C[C@H]4C(F)(F)F)cc([N+](=O)[O-])c2)c1 2754869 ULWAOZOHXJLMQM-RDGATRHJSA-N 585.608 7.990 5 40 KKBB CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]12 8722266 PPBYQEBXORGYAT-URFUVCHWSA-N 503.352 5.102 5 40 KKBB COc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1cc2ccccc2o1 16250138 FNXYJFMUWTWNDC-UHFFFAOYSA-N 504.524 5.037 5 40 KKBB O=C(COC(=O)c1cc2c3c(c1)C(c1ccccc1)(c1ccccc1)CCN3CCC2(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 33355418 PYMUZVXCNGNYND-UHFFFAOYSA-N 684.792 8.917 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(C)C[C@]3(c4ccccc4)N(c4ccc([N+](=O)[O-])cc4)N=C(C(=O)OCC)N3c3ccccc3N12 95101041 AZSNWJZCHJVPIN-LQFQNGICSA-N 704.700 5.882 5 40 KKBB CCOc1ccc(Oc2cc(Oc3ccc(NC(=O)c4cc5nc(-c6ccc(C)cc6)cc(C(F)(F)F)n5n4)cc3)cc([N+](=O)[O-])c2)cc1 98000486 LTGUPLHECQVOHQ-UHFFFAOYSA-N 669.616 8.867 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(Br)cc3)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O 101064607 RETAXBVUKMOBNA-NGSHPTGOSA-N 558.388 5.064 5 40 KKBB COc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2cccc(C(F)(F)F)c2)c(C)cc1[N+](=O)[O-] 103132569 YVZYEWQKZOFHTN-UHFFFAOYSA-N 544.515 5.304 5 40 KKBB CCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1OCC 108581791 QXHVPUWVUAPXJX-UHFFFAOYSA-N 533.566 5.415 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222729346 DAGFCJHGWFOXSP-UMSFTDKQSA-N 690.794 5.659 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223804830 VBLGXARDDMYJRL-NDEPHWFRSA-N 645.178 5.484 5 40 KKBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 224796210 RYSRTUJUEIQJPM-HHHXNRCGSA-N 519.667 5.301 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225504034 DUPKAHLEBVGDQN-UMSFTDKQSA-N 723.679 7.186 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)cc1 229611551 ZYXGEGNZIYMEEU-IDFSYQMWSA-N 555.590 5.885 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 408565335 BSBYYGATLHFZJS-DEOSSOPVSA-N 584.452 6.244 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 408565543 CGJVDMTVQIKNGY-XMMPIXPASA-N 603.926 6.998 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408568848 UXWZJNMTWLXNEO-MOXRBOSHSA-N 554.430 5.636 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12 408569423 WSKZHHJKSHZXPQ-PKIMSIDOSA-N 588.458 5.712 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1cccc(F)c1 408572000 QIDQKEHFBXIHOE-XMMPIXPASA-N 512.538 5.552 5 40 KKBB O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408663391 SCQZQHNWAZSVIJ-NTDMNLGMSA-N 633.871 6.703 5 40 KKBB COc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408727993 UGQWCFJHIBFPHK-NHDPSOOVSA-N 527.898 6.198 5 40 KKBB O=C(Oc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1)c1ccc([N+](=O)[O-])cc1 408757975 SXEUSXJNMLOMBK-LXKZMGPHSA-N 714.597 7.362 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408845856 ZQARQNWBIGKRGT-VZIOXZNFSA-N 617.989 5.471 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408866357 HUJIDILEAAGBDC-UUYOSTAYSA-N 636.851 6.677 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c2=O)=N1 409031140 IXPIBEWZRWKIGN-KOHOJCOXSA-N 692.190 6.126 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409038116 UTSQRHWEHRDVQN-KVOZJBOISA-N 791.504 7.151 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409158503 RHRJGOZQZXVULL-FOKLQQMPSA-N 634.302 6.944 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl 409250108 PQCXMYLKRAFACG-LPYMAVHISA-N 523.954 5.502 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 409271620 KPXDEPDGXVFTNL-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)cc2)cc1[N+](=O)[O-] 409273174 ITCCEWMWNUTINR-FMCGGJTJSA-N 573.004 5.244 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1cc2cc(Br)ccc2o1 409357107 ITVNHPINOPIQJZ-UHFFFAOYSA-N 516.377 5.421 5 40 KKBB Brc1cccc(-c2c3nc(c(-c4cccc(Br)c4)c4ccc([nH]4)c(-c4cccc(Br)c4)c4nc(c(-c5cccc(Br)c5)c5ccc2[nH]5)C=C4)C=C3)c1 2049305440 DIYJFQVQTQAXTO-UHFFFAOYSA-N 930.336 14.374 5 40 KKBB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]12 15944844 PPBYQEBXORGYAT-PJYWLYPCSA-N 503.352 5.102 5 40 KKBB CCOc1ccc(Nc2nc(/C=C/c3cccc([N+](=O)[O-])c3)cc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 16691786 CZGNEDWXZQWIPE-WGDLNXRISA-N 509.522 6.776 5 40 KKBB C[C@H](C(=O)N1c2ccccc2[C@@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)C[C@H]1C)N1C(=O)c2ccccc2C1=O 33353893 KGWGLPOUBLASOV-WOGZVKCMSA-N 588.620 5.793 5 40 KKBB O=C(O/C(=C1/CCC(Sc2ccccc2[N+](=O)[O-])=C1N1CCOCC1)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 96022416 BRZSPFGFESZFQV-NFFVHWSESA-N 604.597 6.109 5 40 KKBB Cc1ccc([P@@](=Nc2ccc([N+](=O)[O-])cc2)(Oc2ccc(Br)cc2Br)C(C)(C)C)o1 97983386 IINRVTZVFDJSCU-SSEXGKCCSA-N 556.191 7.972 5 40 KKBB CCCCOc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCc2c(C)[nH]c3ccccc23)cc1 100116950 HDXUQCFMNSMOLE-BRPDVVIDSA-N 540.620 5.693 5 40 KKBB Cc1ccc(S(=O)(=O)N2C/C(=C\c3cccc(I)c3)c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 100202965 LKJLIPLEPXVOOP-CXUHLZMHSA-N 577.356 5.166 5 40 KKBB Cc1cc(I)ccc1Nc1nc(C)c([N+](=O)[O-])c(Nc2ccc(I)cc2C)n1 100927680 QNSGNTROLBNJDG-UHFFFAOYSA-N 601.186 6.006 5 40 KKBB COCCn1c(=N)c(-c2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccc(C)cc3)s2)cc2c(=O)n3ccccc3nc21 101349465 SRCSRJDJWIKWFQ-UHFFFAOYSA-N 597.100 5.780 5 40 KKBB COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 102896316 LBNYTRPIGAZBEM-NHKHRBQYSA-N 579.565 5.182 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 138820091 YKQVMMHYRZHZKD-FZDFQQAASA-N 608.448 5.807 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163677029 LXCYGYKJAUEMLC-RWTNITNYSA-N 628.888 5.382 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224776545 KXOSWZIMDXWEKS-JOCHJYFZSA-N 526.486 5.714 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225237999 QOXVXEJORRFXBC-DHUJRADRSA-N 733.287 6.850 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Cl 408558287 QWXMIZDPRITIFI-UHFFFAOYSA-N 524.742 6.053 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 408566088 DVQQESWHKLCOSH-DEOSSOPVSA-N 573.444 6.175 5 40 KKBB Cc1ccc(COc2ccc(Br)cc2[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 408569676 WVLJCIFXNVIRDM-JGDRUYDSSA-N 548.437 5.391 5 40 KKBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ccccc1)Sc1nnc(-c2ccc(Cl)cc2)o1 408633744 LYCVOSNSIRJSLX-DEDYPNTBSA-N 511.968 6.667 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408666048 ZWUBICOPLAHPQH-DHIUTWEWSA-N 622.417 5.312 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408728548 OLDCLKABTOIJJU-KXANFNGZSA-N 705.981 8.744 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 409099922 RSGZDDRMDUNCED-ZVHZXABRSA-N 598.033 5.910 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 409271876 DNRRBOJBEIOTKR-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB O=C(CCCn1c(SCc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O)NCc1cccc(Cl)c1 2973388 MBPSYVOMODRMET-UHFFFAOYSA-N 523.014 5.347 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2C)cc1[N+](=O)[O-] 3770817 WKOWIBKGTSOJKT-UHFFFAOYSA-N 504.568 5.854 5 40 KKBB O=C(Nc1cc(Sc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 97949259 AUHRZPMKZCJAEA-UHFFFAOYSA-N 693.299 8.252 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 97999458 VTPHGIANEOJUMM-UHFFFAOYSA-N 624.373 7.229 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 100618525 VTWASUVUBPLIOL-QZVQSRICSA-N 584.697 6.267 5 40 KKBB O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCc1ccccc1 102930411 SANRUDDVELAGGO-HNENSFHCSA-N 603.660 6.220 5 40 KKBB CN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2)C1CCCCC1 103083520 HZMBRGMFFRJQMP-FXBPSFAMSA-N 513.594 5.968 5 40 KKBB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 108874032 FZXVXSHYLHIXTC-ZRGWGRIASA-N 506.550 5.986 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 215124992 BLLQKVSQYDLUDX-WYMPLXKRSA-N 542.972 6.602 5 40 KKBB O=C1[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 222308411 JXWRLZKRBGOJKN-SSVHHLKVSA-N 527.374 5.781 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223617381 BHYTULVASYLUAZ-WJOKGBTCSA-N 748.085 6.844 5 40 KKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 224650181 KMQBYRANHBZJND-VMPREFPWSA-N 534.597 7.219 5 40 KKBB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 224857767 ASZOGYYFRPBSDE-JWQCQUIFSA-N 502.552 5.444 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225285402 UNSZPHYZNHNHLG-HOTGVXAUSA-N 512.459 5.467 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 408565953 MFXHSAQDBFLVRR-NUWWLQTNSA-N 537.975 5.121 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408566315 NLKAPGKJLVSADI-ZVFGGPEJSA-N 647.353 6.788 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(Cl)cc1 408566806 GEUSDOZVONJXJS-QFIPXVFZSA-N 567.857 7.364 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1ccc(F)cc1 408571953 QBIMGCRMWQZHBY-QHCPKHFHSA-N 567.857 7.364 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408572673 RSMTWMPFNVBHMH-DMDPESAISA-N 542.419 5.539 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408646669 UBJUFLRIJLCKMZ-ODEJJYLTSA-N 789.195 6.982 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 408729318 YZBNCSPFLMZJEW-AGSVCEGISA-N 637.091 7.437 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)C1(Br)c3ccccc3C2(Br)c2ccccc21 408756581 WJMTXKVVGXIYFG-CCSVULQMSA-N 630.292 6.672 5 40 KKBB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 408804572 AWQJFRDISUYMEL-VGLFBBGZSA-N 528.654 7.228 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)o1 408841166 FVTLZNQOIMZJMB-UAMLYEQYSA-N 580.065 6.449 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408910609 ISFGTAWJBWAKIB-KUSDHMTMSA-N 656.116 6.156 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(s/c(=C/c3cc(C45CC6CC(CC(C6)C4)C5)ccc3O)c2=O)=N1 409080067 KYLAHWNPKQXNFG-FPZRXPKDSA-N 613.736 5.268 5 40 KKBB COc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409188001 FAQQSEMCUCVPDX-HDGMWEBWSA-N 504.882 5.220 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409269735 MFQPQUUGMPDKDX-DHRITJCHSA-N 592.586 5.986 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3cccc4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409341145 CXDOZVBYUGNYSH-GSTVVXAASA-N 619.699 5.747 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1Cc1ccccc1 1850352 XLWBFQCRFXLSJH-VHEBQXMUSA-N 589.633 6.026 5 40 KKBB O=C(Nc1cc(-c2nc3ccccc3c(=O)o2)cc(-c2nc3ccccc3c(=O)o2)c1)c1ccc([N+](=O)[O-])cc1 3142875 QRDMXNQBWMLGOS-UHFFFAOYSA-N 532.468 5.184 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@H](OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc2)sc2c1CC[C@@H](C)C2 3316440 UKQPTRJSJVQUNI-IQMFZBJNSA-N 557.024 6.148 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 8902168 IRNZDJBKEACUTC-XBXARRHUSA-N 515.353 5.109 5 40 KKBB CCCC(=O)Oc1c(Cl)cc(N(C(=O)CCC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 12284764 NKIBPKMIQQJOFU-UHFFFAOYSA-N 503.360 5.129 5 40 KKBB COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)s2)cc1 39745228 YPOZRWKTLAVRAQ-LHHJGKSTSA-N 501.524 5.026 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 97971203 UVMLGXOHJPBVFH-MCIGQYRZSA-N 558.585 6.146 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])nnc2-c2ccncc2)c(Br)c1 98008153 RLFSYBPPKJPTRS-UHFFFAOYSA-N 553.442 5.656 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-n1c(/C=C/c2ccc(Cl)cc2)nc2ccc(I)cc2c1=O 100026514 VTMWYUABXCLVJQ-VZUCSPMQSA-N 543.748 6.031 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 101064299 CWSVCPDOJGYHEP-NBJHOTSESA-N 620.459 6.213 5 40 KKBB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(NS(=O)(=O)c5cccc([N+](=O)[O-])c5)cc4)cc3)sc2c1 102230986 YCYKQNDLXWTMMT-UHFFFAOYSA-N 544.614 6.233 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c2=O)=N1 103826911 GKXVVOYFJMASJE-PKYOQBLNSA-N 617.680 5.072 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 103891675 HLFPIQHAQDYKLB-ZPMAPHDVSA-N 619.674 5.954 5 40 KKBB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)cc2)cc1[N+](=O)[O-] 105318592 KERMNKLKWPRFES-UHFFFAOYSA-N 565.524 5.052 5 40 KKBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)cc1 150360996 WFBUDLMSANQSEJ-UHFFFAOYSA-N 718.755 5.550 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 215235998 ASOZPAMNFCBUSM-SSDVNMTOSA-N 656.376 7.256 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224795303 HPAKDJHPMKPICN-QFIPXVFZSA-N 613.136 5.310 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 408565117 HRRTWHCUNGTENZ-OCAOGGMISA-N 552.002 5.511 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 408571863 PSQIHQMMFNSVCU-SANMLTNESA-N 583.508 6.653 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(Cl)cc1Cl 408640937 BQVQNDPVXWZFIT-AGTZKDDFSA-N 626.452 6.034 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1Cl 408647336 VDDCYCVUMUHCBV-UHFFFAOYSA-N 532.723 5.091 5 40 KKBB O=C(O)c1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408757255 LMOUWBNGSWZWNO-UHFFFAOYSA-N 532.306 5.753 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(F)cc1 408830755 SSMHEIBJWZKUSK-OINPTKSXSA-N 609.635 5.551 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)c(=O)n2[C@@H]1c1ccc(C)cc1 408837074 YPLFDCHBTZRQHV-FHQMNNMHSA-N 678.561 5.365 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4c(C)c4ccccc34)c(=O)n2[C@H]1c1cccc2ccccc12 408919659 ZVLLVDZAQPZXHE-ACHQHTMYSA-N 568.698 6.566 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCSCc1ccc(Cl)c(Cl)c1 408921105 SJAVINJHMDJAPA-UHFFFAOYSA-N 554.477 5.147 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 408935247 NBHKWSJITPSKLJ-UCQKPKSFSA-N 503.536 5.157 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccc2ccccc12 409047597 OVYNGHSTOAELBU-NBQDTTAVSA-N 761.594 6.052 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 409103833 HGOKRAKLJKCVBF-YDZHTSKRSA-N 691.354 6.773 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409166363 FFAYZKZHQAQBLG-UHFFFAOYSA-N 693.587 6.162 5 40 KKBB CCc1ccc(-c2cc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 409177076 CIXMYJULFLUGCX-WJOKGBTCSA-N 516.553 7.153 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409179386 MCRRGVURIPWGJC-UUYOSTAYSA-N 618.045 5.008 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc2ccccc2c1 409184679 ZESNSXSDSCCKKC-UHFFFAOYSA-N 544.903 5.250 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 409268828 BCHKSFJAIGYUQK-QRVIBDJDSA-N 673.441 5.492 5 40 KKBB O=C1S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1c1ccc(Cl)cc1 409274046 UIQQEDGBTMBGCI-JMIUGGIZSA-N 599.768 8.063 5 40 KKBB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Oc2ccc3c(=O)c(-c4ccc([N+](=O)[O-])cc4)coc3c2)cc1 1859081 DUNBENAMVLCURP-NDEPHWFRSA-N 584.606 5.172 5 40 KKBB O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1)OCc1ccccc1 2058502 RYQIYIRAXRNESA-JOCHJYFZSA-N 581.448 5.957 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)SC(c1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccccc12 8443919 NINWTFVGAXOBQD-GDLZYMKVSA-N 681.431 8.425 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1 16611107 PZWBBSZODVWZPB-HNNXBMFYSA-N 504.568 6.052 5 40 KKBB O=C(Nc1cc(Sc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 33353369 KWFZOUZEHAYBQG-UHFFFAOYSA-N 654.877 8.204 5 40 KKBB COc1ccc(C2=NN(C(=O)c3ccc(Nc4nc(-c5ccccc5)c5cc(Cl)ccc5n4)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 33358324 DYKUDGCKCRJJHC-UUWRZZSWSA-N 655.114 8.602 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)c2)cc1 60016167 QWGFAJNXOXWQTL-UHFFFAOYSA-N 586.670 5.979 5 40 KKBB COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)CCO)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 100142267 DQYKBRIKPLZPAZ-UHFFFAOYSA-N 573.446 6.114 5 40 KKBB O=C(CCCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Cl)c(Cl)c1 100397037 XNVWJXQNQLRRFK-UHFFFAOYSA-N 531.348 6.229 5 40 KKBB O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccc(Cl)cc3N12 101064427 PVQXMHMJFXHCEH-BUZMGHMJSA-N 578.806 5.283 5 40 KKBB CC(=O)Nc1cccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)c(C(=O)O)c5)c([N+](=O)[O-])cc(c34)C2=O)c1 101666820 BKHVQKIFXINORI-UHFFFAOYSA-N 544.907 5.602 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc3c(c1)OCO3)[C@@]21C(=O)Nc2ccccc21 103543448 XHWJKRPGZBPKRW-ZPNDBRHUSA-N 599.599 5.570 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(F)cc1 111469491 XZOVIYNZOZFRGX-GBIJUZDQSA-N 595.608 5.243 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)cc(Br)c5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1 163262403 KRGACSSNSDPLKU-XDYZZPCYSA-N 759.476 7.340 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223561059 KQZFTNTUEWPBEZ-HHHXNRCGSA-N 679.623 6.136 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224404784 JAKMWCFLIAHTJK-FQEVSTJZSA-N 700.041 6.257 5 40 KKBB CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224783310 WPWCFXKSKJSNSR-IOWSJCHKSA-N 593.734 7.508 5 40 KKBB O=C(O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 224787086 NDGRNTHCDZVMSJ-WDYNHAJCSA-N 594.674 7.276 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 225285134 JGPCNBNOAVDCFH-RRPNLBNLSA-N 543.605 5.320 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408567250 QNFPHUBHZDBAOU-NLRIEGLYSA-N 528.392 5.103 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 408571186 OBXOWTJZWOIDAF-SANMLTNESA-N 583.508 6.734 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1 408625058 WEDQEZZWIZEOMT-MHDNGKQISA-N 697.143 7.454 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccccc1OCC 408738794 OWJFBBHPMCXVRP-LMSRTUJASA-N 638.496 5.128 5 40 KKBB O=C(O)c1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)o2)cc1 408775380 SMAGXHHTIKVZMA-NULZLWRNSA-N 575.602 5.185 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(I)cc1 408917343 RLVNEAITFZUBTH-WSDLNYQXSA-N 728.302 6.628 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4c(OCc5ccc([N+](=O)[O-])cc5)ccc5ccccc45)c(=O)n32)cc1OCC 408933615 BONPWLVIYATYIA-URPLVSFPSA-N 665.724 5.456 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409131498 YCBLFOYKARYSEA-KOEQRZSOSA-N 644.487 6.846 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409176950 BYYBQYOECWUDKA-UHFFFAOYSA-N 539.456 5.453 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409190992 XWWRFEBEPUNDGO-HOGDLBODSA-N 773.680 7.111 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409197734 NMRJUPAQJNVRLD-FOKLQQMPSA-N 632.876 6.273 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 409273542 YZCGWBMQTKIRJC-WYMPLXKRSA-N 666.333 7.561 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)c([N+](=O)[O-])cc1C 409274730 XCYKBFLDFHXNKO-JJFYIABZSA-N 507.480 5.299 5 40 KKBB Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCOCc1ccc(-c3cc(=O)c4c(ccc5ccccc54)o3)cc1)c1nnc(C)n1-2 1777699076 OZFKLXDOAZGVSV-BHVANESWSA-N 816.380 8.482 5 40 KKBB Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1 1316196 KEIOUNZRSOINTR-KCHLEUMXSA-N 549.539 5.174 5 40 KKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)Nc4ccc(C(C)C)cc4)cc3c3ccnc2c31 8792159 SOXFJTXUPDXKHA-UHFFFAOYSA-N 521.573 5.750 5 40 KKBB biogenic C[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 8801792 PAIAIIFALHBCIP-OAHLLOKOSA-N 541.935 5.340 5 40 KKBB aggregator Cc1ccc(OCc2ccc(-c3nc4c5sc6nc(C(F)(F)F)cc(C)c6c5ncn4n3)o2)cc1C 13644210 CBCGPQCNSOOUMH-UHFFFAOYSA-N 509.513 6.670 5 40 KKBB O=C(CN(Cc1ccc(Cl)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 100241685 RYYDUDCCUBBBGV-NRFANRHFSA-N 553.786 5.638 5 40 KKBB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cc([N+](=O)[O-])ccc1Br 100311040 NBZYTRWMUBBTAH-UHFFFAOYSA-N 533.132 5.886 5 40 KKBB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305956 IBPLKXSECPVCFL-UHFFFAOYSA-N 550.044 5.408 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 111465584 UTDPOFNEQOXAIE-KUSDHMTMSA-N 621.671 5.421 5 40 KKBB COc1ccc(C[N+](C)(Cc2ccc(OC)cc2)C[C@@H]2OC(C)(C(C)(C)C)O[C@H]2C[N+](C)(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1 161574715 KGLGEAXTKZVRIS-COCZKOEFSA-N 712.972 8.261 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 163466051 MWIDBXHXHLKOFF-QQMBNGEASA-N 783.539 7.714 5 40 KKBB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224498289 RDWSFDCKTBMNKX-DEOSSOPVSA-N 686.014 6.011 5 40 KKBB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224780217 LZFXIOMGQZFGMV-FTJBHMTQSA-N 515.664 6.701 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1)S(C)(=O)=O 224856317 CHNHAPDNVIZTPX-UHFFFAOYSA-N 529.574 6.021 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 225078113 IBEZRSFJOYFYNM-MHZLTWQESA-N 635.570 5.141 5 40 KKBB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225439584 DWKZORHCQSBBOT-SANMLTNESA-N 645.178 5.137 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261020367 VNHVRDXYGNEIPF-JOCHJYFZSA-N 687.613 5.346 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 408564973 AVIJQQPDFFCQFT-XMMPIXPASA-N 585.480 6.045 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 408574489 UYGOWJJWFBUAKV-DEOSSOPVSA-N 577.465 7.109 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 408576583 XTDULDFCOGMCKC-XMMPIXPASA-N 584.452 6.244 5 40 KKBB O=[N+]([O-])c1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc(F)cc2)cc1 408604885 FPODRBFDDZAHLF-UHFFFAOYSA-N 510.157 6.450 5 40 KKBB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 408752749 JXCAUFZJCCAYHU-BCBQGPIMSA-N 500.554 6.007 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)c(=O)n32)c1 408769033 LELONWLUVSUPLH-SELCLYCASA-N 663.668 5.491 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)cc1 408853866 YSXXTPHRRYSLLI-JLKMOJGBSA-N 685.556 6.203 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408909958 HXFNVPHIXUEIJB-JESJEVRBSA-N 866.528 7.189 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4OC)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409040567 GSMJQPSZVWHESO-JJUMQRNRSA-N 538.556 5.044 5 40 KKBB Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c(C)c1 409183458 SHVQJXQYOOJFPM-NDEPHWFRSA-N 534.524 5.793 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c(C)c1 409201788 XZDPQLAYLSKDBT-MTJSOVHGSA-N 504.524 5.074 5 40 KKBB COc1ccc(-c2cc(-c3ccc(C)cc3)nc3sc(C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)c(N)c23)cc1 6246332 XFWCVJWSLAELLZ-UHFFFAOYSA-N 545.020 7.343 5 40 KKBB O=C(CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 6474800 STQQSKBKLVDQHT-UHFFFAOYSA-N 528.516 5.537 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccc(C(C)(C)C)cc6)o5)nc34)c12 13644066 ILUNMVGVCJVJIS-UHFFFAOYSA-N 519.577 7.270 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1 16195446 NHMOFLQJXDLIPS-UHFFFAOYSA-N 520.811 5.800 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)nc2c1 21595643 OVCIWJSRAOWRGT-FQEVSTJZSA-N 512.610 7.405 5 40 KKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)Nc4ccc(C(C)=O)cc4)cc3c3ccnc2c31 70708083 VBXUDYCVQPWDMY-KRWDZBQOSA-N 535.556 5.218 5 40 KKBB biogenic CCOc1ccc(NC(=S)NC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc23)c([N+](=O)[O-])c1 97959877 FWEOIKVYIQNWLL-UHFFFAOYSA-N 530.606 6.123 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 100084942 PGTZIHFBFRNKCS-IBGZPJMESA-N 574.099 5.935 5 40 KKBB Cc1cccc(C)c1-n1c(=O)c2ccc3c4ccc5c(=O)n(-c6c(C)cccc6C)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 100091106 NJOMGKAERDOZHP-UHFFFAOYSA-N 598.658 7.175 5 40 KKBB CCOC(=O)c1c(-c2ccccc2)oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc12 102628664 WGUAQIPDAHVOQV-UHFFFAOYSA-N 598.633 6.837 5 40 KKBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(F)cc1F 103091080 JYMSAGXBVDKTJI-UHFFFAOYSA-N 516.309 5.014 5 40 KKBB CCOc1ccc2nc3cc([N+](=O)[O-])ccc3c(Sc3c4ccc([N+](=O)[O-])cc4nc4ccc(OCC)cc34)c2c1 103541745 XKWYWXTUFRWWMB-UHFFFAOYSA-N 566.595 7.854 5 40 KKBB COc1c(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc2ccccc2c1Br 105303873 ZHTPWCFNVNYKGH-UHFFFAOYSA-N 563.861 5.009 5 40 KKBB COc1c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc2ccccc2c1Br 105311196 QDGRDAGOSSYOQF-UHFFFAOYSA-N 539.205 5.408 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163645423 JWJJHWQTJAIBDL-RISWYLRJSA-N 813.976 6.485 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223385470 MWNIAPKQEMLGDM-FQEVSTJZSA-N 621.543 5.431 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225009989 FXKRKYCNUQOLHC-GDLZYMKVSA-N 592.718 5.046 5 40 KKBB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)O[C@H](C)c1cc(OC)c(OC)cc1[N+](=O)[O-] 256072763 LIKGQASPYMHUMB-BRULTHAYSA-N 513.675 8.362 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F 408570671 LVATXCIMACACTJ-VWLOTQADSA-N 573.046 6.465 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccc(Cl)cc1 408571086 NKUFJHVUVQIXMV-QHCPKHFHSA-N 515.422 6.572 5 40 KKBB Cc1c(NC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 408586458 MZFDZYCSFQQTGK-UHFFFAOYSA-N 526.373 5.179 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408640451 HZQXAKABUAERSQ-DHIUTWEWSA-N 624.433 5.536 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408653446 PUUGDKMKSSNNDU-MOVYAIRMSA-N 573.989 5.312 5 40 KKBB CC(C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408659227 OXGMZSAKDLBBOR-LXYMHCHRSA-N 564.425 5.151 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408662373 XYGLGLRYRANPDZ-GOTSBHOMSA-N 596.423 6.109 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688078 VQUJREQNFMLWKK-HCXPYDJZSA-N 563.997 5.698 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733205 GHBYFBSIVRULNM-VPHSIRQSSA-N 721.529 6.140 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735083 NRHNDJPKDAGILJ-WOKYONKFSA-N 754.865 7.629 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1cccs1 408828840 JQFHGVQYMJHEDB-ZPVURNRZSA-N 613.673 5.174 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408829147 KTEMWRHKVHYKIT-FUFNRSNVSA-N 666.550 5.826 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409094827 GJQFKFDWNHMVJQ-IAOUMNOZSA-N 629.764 5.551 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)c1 409100380 VMMVWHPFFXJXLH-WSDLNYQXSA-N 738.276 5.223 5 40 KKBB COCCN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 409126423 NZXKYZJWGVEUEY-LICLKQGHSA-N 666.231 5.066 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1 409194707 QKAIVMFJMFOFPK-NAIWQIQESA-N 761.694 7.148 5 40 KKBB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)cc1Cl 3225643 KTODAUCBTLMSKS-UHFFFAOYSA-N 528.801 6.023 5 40 KKBB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc([N+](=O)[O-])cc4Cl)c(Cl)c3n2)cc1 9035790 GHVCQYLBLLQJJN-UHFFFAOYSA-N 510.259 6.191 5 40 KKBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(N3CCCCC3)cc2)nc2cc([N+](=O)[O-])ccc21 12311395 NXFVNTMMWCGEBF-UHFFFAOYSA-N 517.611 5.663 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)N(c2ccccc2Cl)S(=O)(=O)/C=C/c2ccccc2)ccc1Cl 12625624 DQYDNLKLJASJPE-OUKQBFOZSA-N 513.380 5.098 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 97948753 BKMHVIQLZFUYSX-GMAHTHKFSA-N 602.367 7.259 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)ccc1Cl 100367681 QXYVTMXXGILOIP-FMCGGJTJSA-N 598.058 6.169 5 40 KKBB CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 101201075 AOALKDZKDYFDQM-VABKMULXSA-N 512.349 5.515 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 103356423 LYCCOGMSIYGCNJ-LYRGBEMXSA-N 584.437 5.273 5 40 KKBB Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3C)oc2cc1C 105305845 CXKLSJKABSDJFL-UHFFFAOYSA-N 543.649 6.445 5 40 KKBB CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)ccc1Cl 214989578 CDBOFAIXXHNTBM-CIAFOILYSA-N 512.927 5.921 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222719607 NKEFPIPRIUXJCG-SSEXGKCCSA-N 734.058 6.453 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223375630 AAFULMBRNBGUPP-FIPFOOKPSA-N 533.694 5.691 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224537164 XGARJWGFNRZSIH-AREMUKBSSA-N 645.178 5.340 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225500722 KOTOVBTWADMYRC-UUWRZZSWSA-N 690.794 5.803 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)N(c2ccc(C)cc2)N=C1C 248099042 IZAQEVNAVAZTDD-UQWUFBTJSA-N 509.566 5.373 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 408571916 PWDZBVSOUUOCNL-VWLOTQADSA-N 559.475 6.970 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 408575561 WNGAPIOCTHUKOU-RUZDIDTESA-N 559.475 6.970 5 40 KKBB COc1cc(CNc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408612640 TXKYIYQCCBGCAB-UHFFFAOYSA-N 534.306 5.097 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408638920 DOIWIJDVFKLWBO-ZBWOKKAISA-N 697.098 5.190 5 40 KKBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 408658061 URFYELOAECOJEN-ZVNQEMBASA-N 636.444 5.558 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 408673147 YXQOLFRZHOOKLN-UHFFFAOYSA-N 533.581 6.110 5 40 KKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 408710491 VSLQEWNRGRXKDF-UHFFFAOYSA-N 554.371 6.671 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733425 IWXUNKUHGRIEMC-HQOQCIRISA-N 734.614 7.169 5 40 KKBB Cc1sc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)nc1-c1ccccc1 408755239 ZSGZJMVOVYYVFG-QHCPKHFHSA-N 516.579 5.503 5 40 KKBB CC(=O)Nc1ccc(N2C(=O)c3cccc4c(-c5ccc(Br)c(C)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408757448 NKFABGNXBVCCMG-UHFFFAOYSA-N 544.361 6.245 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408770534 YPGAWLQNIYARBI-JJHILCALSA-N 738.613 5.464 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408822351 LTHVYQJBGRJCMY-MIUGUJGPSA-N 865.484 6.282 5 40 KKBB COc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408826264 CQYNLFISVRAKKH-UNDLXJOSSA-N 545.620 5.389 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 408832392 YJISHYUGJXINMK-GEYGMGCISA-N 619.674 5.954 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 408917062 LSWMYYZGIITZKM-YDZHTSKRSA-N 603.878 7.225 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 408999660 XENPNJLEYNUDEH-NXYYLBPMSA-N 821.569 7.670 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1-c1ccccc1Cl 409173824 KOXSWMPJFJXLIL-UHFFFAOYSA-N 515.020 5.689 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409328287 RIDGXWIEXJLURP-YDZHTSKRSA-N 598.431 5.620 5 40 KKBB CC(C)N(C(=S)SCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1)C(C)C 409333316 GKQHJCOUPYJISL-UHFFFAOYSA-N 577.779 6.011 5 40 KKBB CCc1ccc(C(=O)OCCCCCC(=O)OCCOCCOC(=O)CCCCCOC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2061000899 ZBLLKTYOZUPITG-UHFFFAOYSA-N 615.676 5.395 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 2327882 WCAMSUCLLGQXNT-BYBRNZAOSA-N 531.524 5.044 5 40 KKBB CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4C)nc3cc2C)cc1[N+](=O)[O-] 8900432 UCPNYSWDDVYBCR-UHFFFAOYSA-N 502.575 5.443 5 40 KKBB CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2sc3c(c2c1=O)CCCC3 12311362 OYPZCFFDZFVDES-CYBMUJFWSA-N 521.064 5.674 5 40 KKBB COc1ccc(-c2nn3c(SCC(=O)NCc4ccc(C(F)(F)F)cc4)nc4ccc(Cl)cc4c3nc2=O)cc1 97971428 NORXFWHFJDUGAT-UHFFFAOYSA-N 585.995 5.394 5 40 KKBB O=[N+]([O-])c1ccc(-c2csc(N3N=C4/C(=C\c5ccc(Cl)cc5)CCC[C@@H]4[C@@H]3c3ccc(Cl)cc3)n2)cc1 97983155 ZGIZYGDUIOIIGA-YZKCHXCCSA-N 561.494 8.826 5 40 KKBB O=c1c2cc([N+](=O)[O-])ccc2nc([C@@H](Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1Cc1ccc([N+](=O)[O-])cc1 100362650 ZRQRWBKFHOGZIG-VWLOTQADSA-N 551.515 5.544 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc(Cl)cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 103552856 UTSKPBSVUGXZSY-YQQRZDPSSA-N 590.035 6.494 5 40 KKBB O=C(NC(=S)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 105311820 FFZIWOXXANPOQS-UHFFFAOYSA-N 592.294 6.523 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 106686942 NYAVJPIQYHQUJJ-QRVIBDJDSA-N 603.878 7.225 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)o1 111472855 UZNWWOPKABTUOR-PKYOQBLNSA-N 610.623 5.190 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 150389529 QEGYCUWAXWTCGH-LRAMOIDDSA-N 668.522 5.055 5 40 KKBB O=C(NCCCCC[N+](CCCCCNC(=O)c1ccccc1)(CCCCCNC(=O)c1ccccc1)CCCCCNC(=O)c1ccccc1)c1ccccc1 150469590 CONBMICVFGPIDE-UHFFFAOYSA-O 775.071 8.204 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c(=O)n31)c1ccccc1CC2 163195566 APYLWRIVRCDCCD-DXUGRCAZSA-N 632.654 5.936 5 40 KKBB CC1=C(/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1 200002263 OENHQHLEOONYIE-JHIHEJNFSA-N 536.888 12.606 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 215056672 QLVPNSKQNMDVRO-FSJBWODESA-N 623.403 7.804 5 40 KKBB CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 215936110 ZREGVEANDOPLBZ-JOCHJYFZSA-N 546.045 5.336 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222669793 KJQHOXHQCDODJR-PMERELPUSA-N 744.064 5.909 5 40 KKBB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224290718 OVQXHMOEJWUJPM-XMMPIXPASA-N 651.569 5.357 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224416907 RKAIONUBDRPKSI-NDEPHWFRSA-N 647.581 5.963 5 40 KKBB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224768202 RFZXKDDAYCXKIX-UIOOFZCWSA-N 531.663 5.766 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225336965 TVSUOMGIPXRLOM-HKBQPEDESA-N 666.797 5.372 5 40 KKBB Cc1ccc(C[N+]2(C[C@@H](O)COCCOc3ccc(C(C)(C)CC(C)(C)C)cc3)CCCCCC2)cc1 226069570 IEFTXZXWILRBPG-SSEXGKCCSA-N 510.783 7.056 5 40 KKBB CCOC(=O)CCc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(CC)c4C)C(C)=C3C 238791292 LKOHZMIJFYUDND-UHFFFAOYSA-N 536.720 8.281 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(C)cc1 408565539 CFQQCVMPYHBIKT-MHZLTWQESA-N 518.639 6.199 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1cccc(F)c1 408573543 TUPGUDVNGLOISD-SANMLTNESA-N 522.602 6.029 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCC 408577027 YKJJMICATKNSTB-FQEVSTJZSA-N 521.437 5.554 5 40 KKBB CCn1c(S/C(=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C(=O)O)nnc1-c1ccc(Cl)cc1 408633887 MTNLCJDZDBMAJV-OYKKKHCWSA-N 567.023 6.332 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408637766 BBYBZIKNEYYIMJ-YKQNXRHISA-N 576.005 5.702 5 40 KKBB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c1 408641640 KSUXYOYHVIYECQ-UHFFFAOYSA-N 648.411 5.666 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408647412 VKKUSDDKYFVESU-WVZRZZCNSA-N 686.546 5.935 5 40 KKBB O=c1/c(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408757244 WXSAZUNWNPOIJF-IMUCPKNRSA-N 823.450 7.015 5 40 KKBB COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(Cl)cc3)s2)cc1Br 408827217 MJTWZPICNDFDKD-UHFFFAOYSA-N 544.814 7.062 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 408942585 GGJIVLQSYNQPQJ-ACHQHTMYSA-N 755.647 6.531 5 40 KKBB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc4nc(SCC(=O)Nc5ccccc5[N+](=O)[O-])sc4c3)n2-c2ccccc2)cc1 408979387 CGPNXXUWGNHBPX-UHFFFAOYSA-N 709.879 8.211 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)C(=O)[C@@H]23)cc1 408998006 PUNFHXJTEKRDDV-AGFOIJJQSA-N 706.798 9.068 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3c4ccccc4cc4ccccc34)c2=O)=N1 409037610 XYTNLIVZPASOHD-OXWVMCNISA-N 504.611 5.105 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409107001 OBZIONXBDBRGSZ-DTDQMKFYSA-N 636.730 5.742 5 40 KKBB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409107190 VOYBXQXYEJDGPF-NVMNQCDNSA-N 519.273 6.448 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccc(Br)c2)N1Cc1ccccc1 409134237 NIOHRDFCSMQPMN-MHZLTWQESA-N 528.406 6.719 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409141944 CLRFNXZNKIJUPO-JBDHCHCMSA-N 648.535 5.356 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(C(c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1 409177142 BUIRPOIGNZXRQO-XRSDMRJBSA-N 870.711 10.476 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409178335 GOYUSXGRLDVRKK-SANMLTNESA-N 532.892 6.730 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409179838 NVHSISYVGSGWAW-AFUMVMLFSA-N 592.586 5.931 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)cc1 409193212 FMRYNQJCOGQBPQ-LPYMAVHISA-N 507.524 5.237 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O 409270922 RYIGGMWFORXSJZ-CIAFOILYSA-N 510.959 5.081 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C 409351504 WSUFRALYQBZOAZ-OAQYLSRUSA-N 531.038 5.026 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccccc1Cl 2059490 ALXZBRSOICMMOM-MFUBYVTQSA-N 584.437 5.273 5 40 KKBB CCc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2-c1cc(Cl)cc(Cl)c1 6150836 VQBRQUXZVXESQB-UHFFFAOYSA-N 534.834 6.855 5 40 KKBB COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2[N+](=O)[O-])N(c2ccc(Br)cc2)C3=O)cc1 20212852 KNJIDCFBFXCQQJ-QHCPKHFHSA-N 505.328 5.506 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1[N+](=O)[O-] 32126802 HMPXBQWJJMCGQL-UHFFFAOYSA-N 512.547 6.082 5 40 KKBB CC(C)CNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(SCc3cccc([N+](=O)[O-])c3)nc2c1 33076911 NCEVVZIDZUAXGE-UHFFFAOYSA-N 516.623 5.226 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 33358555 DBKXALWMUYNSQD-RTWAWAEBSA-N 557.916 7.150 5 40 KKBB CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 101539879 PWBCNOWNLUBNBZ-CUYJMHBOSA-N 582.407 5.075 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)[C@@H]3C2=O)cc1 102449197 XSUMLPOZXOCJPB-KCHLEUMXSA-N 555.612 6.163 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1 102744261 XROAXZMEDVJKCF-ACRUOGEOSA-N 502.285 5.092 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 103546904 CELMTJHKWOYMKC-CDACFMRSSA-N 600.587 5.749 5 40 KKBB CC(C)c1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5ccc([N+](=O)[O-])cc5s4)cc3s2)cc1 103762643 NHQUJYZUIMYMQK-UHFFFAOYSA-N 609.780 7.399 5 40 KKBB C[C@@H]1N(C)c2cc(NC(=O)c3cccs3)c([P@](=O)(Nc3ccc([N+](=O)[O-])cc3)N3CCOCC3)cc2C1(C)C 103957141 DPRUJUNHAFZBDE-OBICXDTRSA-N 569.624 5.287 5 40 KKBB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 105311068 UWRDUOBKASJDHV-UHFFFAOYSA-N 531.594 5.398 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105318459 QWGZOMHXFAKYEP-UHFFFAOYSA-N 558.708 5.034 5 40 KKBB O=C(Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 109118439 HISPRFYHZKVRNL-UHFFFAOYSA-N 529.405 6.267 5 40 KKBB O=C(NC(=S)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 161945628 HENGGCAYFQRNIJ-UHFFFAOYSA-N 658.353 7.783 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 163707749 BWOLTBJQOVKJRV-SUAMDDGLSA-N 632.676 5.129 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 223005100 APJJXJFKXOCHOO-DHUJRADRSA-N 702.830 5.528 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224074493 FQCNKTIFPILDPQ-YTTGMZPUSA-N 628.751 5.265 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224854211 SDZUCMQTANSZDO-NRFANRHFSA-N 647.581 5.963 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225529845 GDWNRCSSCKIXDA-XIFFEERXSA-N 786.145 7.079 5 40 KKBB Cc1ccc(C[N+]2(C[C@H](O)COCCOc3ccc(C(C)(C)CC(C)(C)C)cc3)CCCCCC2)cc1 226069584 IEFTXZXWILRBPG-PMERELPUSA-N 510.783 7.056 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247360863 ZKUCCZHPJRVQSP-LWSSLDFYSA-N 533.462 5.012 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)c(Br)cc1OC 408570262 KPOZNNVVMJDVQR-FQEVSTJZSA-N 507.410 5.164 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)c1 408571536 OWDJCTQJJBKZCU-XMMPIXPASA-N 512.994 6.366 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408572671 RSJIINQCMNYEMH-HSZRJFAPSA-N 634.896 6.598 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)cc1 408577419 ZJJQPXZFNGNBAL-VWLOTQADSA-N 569.481 6.426 5 40 KKBB O=C(O)c1ccc(CSc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4C(=O)O)cc3s2)cc1 408750187 LIUOLMLHHTYUQQ-UHFFFAOYSA-N 509.521 5.146 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)cc1OCC 408943296 YTTRWPXDYOKVAF-FVMAXLJRSA-N 729.005 5.719 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408990390 VHQCDEODYKRREQ-FUAQWRKOSA-N 707.761 5.449 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408997568 RVOXCVLNICRBBI-IQPMGOHCSA-N 815.686 7.159 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 409086130 YPKVJXSICIXYPH-ZBXXMNEPSA-N 582.059 5.104 5 40 KKBB CCCOc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409141671 WIKIRSUEMASBMP-PMERELPUSA-N 507.590 6.745 5 40 KKBB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 409172455 IQMPXCMZRCEHHU-LGUFXXKBSA-N 513.575 5.883 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(I)cc1 409344274 IHLGEHPQERTHKP-VXLYETTFSA-N 609.785 5.788 5 40 KKBB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 3323035 IBIRJHHSMCKJCP-NDEPHWFRSA-N 532.581 6.492 5 40 KKBB O=C(O[C@@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 4974681 VBDBDZHLJKDSSB-JCCQREKTSA-N 569.610 5.864 5 40 KKBB COc1cc(-c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(OC)c2)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 8398020 FYQGMYCPGHGMAK-UHFFFAOYSA-N 611.394 6.999 5 40 KKBB CCc1nc2c(c(=O)n1-c1sc3c(c1C(=O)OC)CCCC3)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 102930293 PKLKNIONVHWKIV-UHFFFAOYSA-N 604.519 6.869 5 40 KKBB CCOc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103526431 CBXSBQLRTDYRMY-ACZXLBTNSA-N 585.616 5.975 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 150343408 DCWVYNINOMSNGW-PNJIRECESA-N 681.542 7.546 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c2=O)=N1 163468750 AAUZVHGSRHKBSO-WOSHRIRTSA-N 639.730 5.829 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223326925 UHLNJSGNBCWVKB-VCTRWQRLSA-N 642.778 5.653 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 223845203 MSGRBJYQWIHIGV-QFIPXVFZSA-N 643.162 5.237 5 40 KKBB COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C 224770652 RQURTGYTLUYPKQ-VSGBNLITSA-N 559.717 6.383 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl 224972727 NKJPTVZBHFKFIF-DQEYMECFSA-N 536.997 6.098 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225131096 OILNTAQLZLCJNK-JOCHJYFZSA-N 613.136 5.310 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225319331 DSHJTEQJXBZVSR-WOJBJXKFSA-N 621.543 5.429 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408567281 QSLAEPBAOGXIEP-VTAXEWKNSA-N 523.589 5.386 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 408575456 WIFMQXYCCSDBDO-RUZDIDTESA-N 603.926 7.079 5 40 KKBB Cc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c(C)c1 408738828 WBJIBCXBXLFVBA-NDEPHWFRSA-N 507.590 5.710 5 40 KKBB O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(SCc3ccc(Cl)cc3Cl)sc2c1 408750534 OOETVANYRFMLSC-UHFFFAOYSA-N 534.402 6.754 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408754366 JYTHOQAORQBFJF-FWESEHMYSA-N 642.089 5.766 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1ccc(C)cc1 408827671 LSZDMESTWWILDM-HGKWLZTNSA-N 598.464 5.582 5 40 KKBB O=c1/c(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408841952 IVZJUYUUUPVBIW-KHVZVQPESA-N 717.250 9.005 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1cccc2ccccc12 408870520 WGNQIKKQABIVQL-YNMQQHPQSA-N 565.607 5.120 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409107578 WWKOZKNNRHGPPD-URFJJRPFSA-N 622.703 5.434 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409134653 SSKUPUFEYFEYEV-MFKUBSTISA-N 583.460 6.614 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409177158 CIOSWMNYQFOEHC-UHFFFAOYSA-N 520.881 7.098 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409177806 HNIKRCJMJPEZDZ-GWRYVSOYSA-N 661.567 6.325 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 409188850 BBBGJGIUEKLFSB-ZCWBPALNSA-N 753.646 5.967 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)c1ccc(Br)cc1 409224346 KYQCWHHNIRYFER-SSDVNMTOSA-N 607.360 7.088 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C 409248620 FBWHVINGEWBZPG-LGJNPRDNSA-N 654.495 5.919 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 409270819 AYGBMGXECRSHEC-ZRGSRPPYSA-N 576.627 5.644 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409330650 LJCNKOWZVFDVPE-FMCGGJTJSA-N 641.456 5.058 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409345897 LUHOZVQDZJUMCG-VULFUBBASA-N 561.616 5.981 5 40 KKBB Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1Cl 1899607 RREKIBMUJDJOLT-GDLZYMKVSA-N 574.044 7.846 5 40 KKBB CCOC(=O)c1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)c1 2245988 MNFGNOISPUGICQ-UHFFFAOYSA-N 509.953 5.162 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@H](c1ccc(Cl)cc1)N1C(=N2)C(Cl)=Nc2ccccc21 2318216 AZAASXFXGYFGSV-QFIPXVFZSA-N 503.349 6.664 5 40 KKBB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1 6014805 JLUALTVFLLOANS-QHCPKHFHSA-N 531.366 5.563 5 40 KKBB biogenic,in-vitro Cc1ccc(S(=O)(=O)N(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c2ccccc2)cc1 6245618 DKDYXHILZHUXCU-UHFFFAOYSA-N 614.709 5.610 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2[N+](=O)[O-])cc1 32124714 XUDMBGXWAQCJFP-XKZIYDEJSA-N 507.549 6.199 5 40 KKBB O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccc(Cl)cc1)N2)c1cccc([N+](=O)[O-])c1 100999187 IYHYUKZUKWDUEM-OAQYLSRUSA-N 507.337 5.801 5 40 KKBB Cc1csc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccc(OC(F)(F)F)cc2)n1 101140189 PELZAXOQMSANMX-UHFFFAOYSA-N 535.529 5.842 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCNc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 101663506 GJNBEIGSWICHFW-UHFFFAOYSA-N 542.512 7.313 5 40 KKBB CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 101673266 CBXSBQLRTDYRMY-CXNUKBDRSA-N 585.616 5.975 5 40 KKBB Cc1ccc2[nH]c3c(cc(NCCCN4CCN(Cc5ccc6c(c5)OCO6)CC4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 102879313 MXTUSCXHXRSENG-UHFFFAOYSA-N 602.691 5.598 5 40 KKBB CCOc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2Cl)CCC3)c([N+](=O)[O-])c1 103104448 QUCODJPUDWSEIB-CAPFRKAQSA-N 572.017 6.868 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc5ccccc5c4C=C[C@@H]3[C@@H]2C1=O 103918476 CORKNRFVHAWXMO-MXYFDVTLSA-N 529.552 5.329 5 40 KKBB O=C(NC(=S)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307979 DFZOPMJAEGPKLM-UHFFFAOYSA-N 558.447 5.881 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2CCc2ccccc2)sc2c1CCCC2 150391508 BIDCCIAMEIULQG-UHFFFAOYSA-N 648.767 5.207 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 161986894 OUUUGABMNVHCKJ-UHFFFAOYSA-N 655.049 5.997 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1c(Cl)cccc1Cl 214700428 HNFZJUQWUQLBTK-DJKKODMXSA-N 509.754 7.052 5 40 KKBB CCOC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 215903467 NRSRACYZROFBOB-UHFFFAOYSA-N 596.445 5.229 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223642467 DVZCMILBCXBLQJ-RXFWQSSRSA-N 554.043 5.190 5 40 KKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 224650052 KMQBYRANHBZJND-FQLXRVMXSA-N 534.597 7.219 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224932163 FJVXJILIVSWHCY-AREMUKBSSA-N 523.630 5.132 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225319644 JNVHGNOGIKWBAI-MHZLTWQESA-N 665.596 5.748 5 40 KKBB CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 253487980 UTYYXHFWFQIORA-MXMCVKMKSA-N 583.644 6.529 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Br)cc1 408569130 IXZAEHALMDNFDD-VWLOTQADSA-N 662.404 7.415 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)CC2)c([N+](=O)[O-])c1 408573006 KYLKBSPZUIAYML-UHFFFAOYSA-N 577.446 5.175 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408574551 VEGNAKVQUOGZJP-XMMPIXPASA-N 672.816 8.386 5 40 KKBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408648157 JSCUPRLTEKTTHW-KDIPQVSASA-N 585.616 5.424 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408685133 OUAALFBUGMKLNB-UHFFFAOYSA-N 618.054 6.825 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 408767974 RQLBWMPONZRKLZ-HZHHUVPKSA-N 667.143 6.023 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 408830751 SSMHEIBJWZKUSK-FWESEHMYSA-N 609.635 5.551 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409021520 LNAHVEKOGSZLFK-YBFXNURJSA-N 568.389 5.622 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409108282 ZHRGQCFWQZBDKY-IMUCPKNRSA-N 658.802 5.489 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409182421 MAPAZTPDOVQKJM-JBDHCHCMSA-N 604.084 5.247 5 40 KKBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 409321622 IOEDCRKXZGTMKU-FPLPWBNLSA-N 522.739 5.360 5 40 KKBB O=C(OC[C@@H]1[C@@H](COC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1(Cl)Cl)c1cc([N+](=O)[O-])ccc1Cl 1751544 FICJIEWNSLPRSI-ZIAGYGMSSA-N 538.123 5.244 5 40 KKBB COc1ccc(C(=O)[C@@H](OC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)c2ccccc2)cc1 1860148 UGIKXRVHXPRISE-SANMLTNESA-N 517.921 6.830 5 40 KKBB O=C(Nc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)n2)cc1)c1cccc([N+](=O)[O-])c1 8398169 IGGCQWHTQOZSFH-UHFFFAOYSA-N 636.624 7.799 5 40 KKBB O=C(NN1C(=O)c2cc(I)ccc2N[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1 8432040 JZQXANFVCKYOKS-QHCPKHFHSA-N 614.783 6.024 5 40 KKBB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)ccc21 12546987 XPZZEIRFZVBSPB-HXUWFJFHSA-N 528.609 6.143 5 40 KKBB CC1=C(C(=O)Nc2cc(F)c(F)cc2F)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C(C)N1 73256680 SBJTZNGUVJEMCI-VWLOTQADSA-N 590.480 6.543 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 96022822 VPRGRGQLRLNGBU-UQBOJQRSSA-N 540.834 7.992 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc6n(n5)[C@H](C(F)(F)F)C[C@@H](c5ccc(Cl)cc5)N6)nc34)c12 97948659 TYEULRFKICCMPX-BBRMVZONSA-N 590.969 7.310 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc12 100640485 IPMZIKXFTLMQRI-UHFFFAOYSA-N 534.590 6.185 5 40 KKBB COc1ccc(NC(=O)[C@H](CC(C)C)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1Cl 102985845 ALJJGXGJRJXDKK-QFIPXVFZSA-N 553.081 5.287 5 40 KKBB CCC(C)(C)c1ccc(OCCCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(C(C)(C)CC)c1 103077616 YXRQQBXGTAZICU-UHFFFAOYSA-N 577.516 7.073 5 40 KKBB Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@H](C(=O)Nc3ccc(C)cc3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 105105170 AVGYFSCQMANWHE-IEVQEWPMSA-N 543.620 5.146 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223473318 NRCXINRKIHJCNZ-YTTGMZPUSA-N 662.740 5.022 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223688152 PVVQADTXOIPHCI-XMMPIXPASA-N 514.409 5.220 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224481170 GTSPDUURNKHOID-HHHXNRCGSA-N 635.570 5.142 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225280729 GUXIGDQNOSNTEQ-LJAQVGFWSA-N 661.608 6.353 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225438646 HASXLARYVHTJQJ-JGCGQSQUSA-N 663.196 6.000 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 248177906 ZYXGEGNZIYMEEU-GGVMLGSCSA-N 555.590 5.885 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260876857 MXPFUGIGBMEMKY-HXUWFJFHSA-N 696.020 5.465 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 408564763 AAMBTIXGPIBHNV-QHCPKHFHSA-N 589.899 6.689 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408565520 LFSJWGRUDUUOOB-YJIIWGRFSA-N 621.315 6.256 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc(F)c1 408570285 KTHVXEJDNVBWTN-VWLOTQADSA-N 508.575 5.803 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 408571564 OZSHZJQAUJZBQZ-RUZDIDTESA-N 638.371 7.733 5 40 KKBB CCOc1cc(CNc2ccc(Br)cc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408611726 QYXPYLAEHVBGPT-UHFFFAOYSA-N 505.796 6.909 5 40 KKBB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(/Sc1nnc(-c2ccc(Cl)cc2)n1CC)C(=O)O 408632268 IGMBBLUDSMFWGG-XSFVSMFZSA-N 501.996 5.591 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408663066 YCUKCAZEGPTTMR-ZRZAMGCNSA-N 594.407 5.885 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408676681 BDLHGCSXWAGYLT-ZBWOKKAISA-N 697.098 5.190 5 40 KKBB Cc1cc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc(C(=O)O)c2)C3=O)ccc1Br 408755317 DKSQPMCTKYHVLV-UHFFFAOYSA-N 531.318 5.985 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c(=O)n32)c1 408770202 UQIWBALPZVISMP-OIUASMPBSA-N 663.668 5.491 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccc2ccccc12 409047596 OVYNGHSTOAELBU-MRWVFDTMSA-N 761.594 6.052 5 40 KKBB COc1cc(CNc2ccc(C)cc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409110173 SYQPKPISXNIXKJ-UHFFFAOYSA-N 518.351 6.016 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1Cl 409178509 JAERGEYBBVZCBU-KEBDBYFISA-N 532.361 6.145 5 40 KKBB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O 409206533 WSQADGQFXZCPSP-UNOMPAQXSA-N 506.989 5.779 5 40 KKBB O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2N(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2)cc1 575421798 RRINXLRWMNWQCP-ROJLCIKYSA-N 600.697 5.373 5 40 KKBB COC(=O)c1ccc([C@H]2c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3N=C3C(O)=Nc4ccccc4N32)cc1 3309725 HEOLQAGEPCSZFV-QHCPKHFHSA-N 508.494 5.117 5 40 KKBB Ic1ccc2c3ccc(I)cc3c3[nH]c(-c4cccc(Oc5ccccc5)c4)nc3c2c1 8425446 JXINNNGTGBQQES-UHFFFAOYSA-N 638.246 8.538 5 40 KKBB O=C(NCCCCCCCCCCNC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 12428902 GTPPVQKUTPZRKZ-UHFFFAOYSA-N 500.556 5.567 5 40 KKBB O=C(Nc1ccc(OC(F)(F)C(F)F)c(NC(=O)c2cccc3nc4ccccc4nc23)c1)c1cccc2nc3ccccc3nc12 97983443 RFQSCLIVJQIDGY-UHFFFAOYSA-N 636.565 7.621 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cc(C)c(C)cc4[N+](=O)[O-])C(=O)[C@H]32)c2ccc(C)cc2)cc1 112254525 BXIBVESOCILULD-XCQPVXNCSA-N 504.586 6.252 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2=O)=N1 164177475 XBMKJJNWMNSYPA-PRLWALMFSA-N 638.098 5.417 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1 164513034 NFRFNYPPJNTGOQ-URFJJRPFSA-N 648.653 5.544 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223549225 PVCZAZHOIAGPRO-AREMUKBSSA-N 635.570 5.819 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224985737 RRYLWSAXBDLBJF-VWLOTQADSA-N 538.442 5.065 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225014667 CHMDGVGXUQJPNK-WJOKGBTCSA-N 693.620 5.717 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 225090433 MTDQYZQZXIJFKP-FIRIVFDPSA-N 591.649 6.444 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 225274626 IBNRAPKFKNNTEG-DHUJRADRSA-N 668.816 6.188 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 408564975 AVIOARJXYCAYBM-GDLZYMKVSA-N 556.644 6.435 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 408565222 BIUJZUILSMHZDM-DEOSSOPVSA-N 573.900 6.989 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)cc1 408571194 OCLFMTWIBJRJBR-VWLOTQADSA-N 508.575 5.803 5 40 KKBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3c(C)cccc3C)cc2)cc1[N+](=O)[O-] 408645300 KWZOEFWNILZJMT-UHFFFAOYSA-N 505.527 5.213 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408655102 KVAYQLVLWNGCBO-KPHNHAPKSA-N 599.426 6.049 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)Nc1cccc([N+](=O)[O-])c1 408669837 OZVFGYGJDOTZLB-UHFFFAOYSA-N 506.312 5.368 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408677350 BTGRYDJUHQBPTC-FZDFQQAASA-N 563.997 5.698 5 40 KKBB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(c4ccc(Cl)cc4)C(=O)[C@@]3(c3ccc(Cl)cc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])c1 408723678 ZTGOOSJWOAEYAV-WXHPKRHJSA-N 685.563 8.399 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408802463 YGGNBPLKRKPRNT-MFCBUNOESA-N 682.524 5.196 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(F)cc1 408917504 VVZICKCUAJQSFH-YDZHTSKRSA-N 587.423 6.711 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 408920502 JLFOQVMVUXFQMW-IKHSWBDUSA-N 657.727 6.233 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1 408920548 JYKHFRNIGIWGPE-FUZBLHKMSA-N 654.748 6.155 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408933385 JDZZHIZHDGVQLM-MSXFZWOLSA-N 630.448 6.149 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408991242 ZKQSLHMXMWDHDG-KFOJKGMOSA-N 673.744 5.092 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4c(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)cc1 409002259 SQHWKIIYQJMFIE-PYCBVSLESA-N 532.665 5.722 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc(Br)cc4)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409162516 WEEPTBONAKKZHP-PIXWUVMMSA-N 648.535 5.356 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1 409167744 JMYZEHROWKRUAV-IBGZPJMESA-N 537.429 5.186 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409182453 LCNUQNSBWMTHPJ-PLMBTIQCSA-N 648.137 5.646 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(CNc3ccc(F)cc3)cc2Br)cc1 409205004 FFQPSEGZINBXBP-UHFFFAOYSA-N 510.157 6.450 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1 409274015 SZHFZWIZYCIOAH-QRVIBDJDSA-N 538.965 5.755 5 40 KKBB Cc1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2-c2ccccc2)cc1[N+](=O)[O-] 409412220 UFYXCHGDSZMVQE-UHFFFAOYSA-N 540.399 5.350 5 40 KKBB Clc1c2ccccc2c(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)[nH]2)c2ccccc12 2185013 LYVJYWPJEWKJPG-UHFFFAOYSA-N 588.730 9.896 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 8454056 ALQYNJMXOUJUNP-JLNIMSJUSA-N 671.536 8.091 5 40 KKBB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2nc(SCc3ccccc3Cl)nc2N1 101239488 VQZYMJOHQOOLAF-QFIPXVFZSA-N 534.001 5.455 5 40 KKBB C[C@@H](NC(=O)COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCCC2 102904951 VNUUPQVDADXLOT-QGZVFWFLSA-N 535.984 5.414 5 40 KKBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(OCc3ccccc3)cc2)c1 102936368 LUCNRKXRWCDJIT-UHFFFAOYSA-N 527.562 5.661 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3n2)cc1 104329656 YFMFTSQWGUFHMM-UHFFFAOYSA-N 535.029 6.604 5 40 KKBB O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc(Cl)c([N+](=O)[O-])c1 105319225 JNWOXQUBHXYHRL-UHFFFAOYSA-N 567.646 7.302 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 214495476 YEMBWRKQJNYXBV-ZVHZXABRSA-N 630.460 6.722 5 40 KKBB CC[C@@H](NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 223042600 IAZUVGPITZTZJB-HHHXNRCGSA-N 551.665 5.253 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223428508 PWNWRXFESVIQFJ-VWLOTQADSA-N 663.168 5.622 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223771959 XVLLAVHWICLEDR-SANMLTNESA-N 679.623 6.138 5 40 KKBB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CCCC1 224770084 ILTXKZWXHYPGRE-IHLOFXLRSA-N 569.756 7.852 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(C)cc1)[C@]21C(=O)Nc2ccccc21 229918497 ZJYJLYAGGWEYIV-WYODCFETSA-N 569.617 6.149 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 408565955 MFXHSAQDBFLVRR-XABOBXATSA-N 537.975 5.121 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408568611 ICAGWOBFPGXCLA-QWGAXZCXSA-N 542.419 5.539 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1ccc(Cl)cc1 408571574 PCEXHCFBGJEQNF-HSZRJFAPSA-N 584.312 7.878 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408632794 KNSVDHXCMHIQCO-UKWGHVSLSA-N 565.822 7.311 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408644316 QXYGOPKGDQZTKS-CLJLJLNGSA-N 573.989 5.622 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408684144 MWJVVQRDPPMKQW-FZDFQQAASA-N 563.997 5.698 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408731259 ZRBHQGPDNKXJPE-FUFNRSNVSA-N 626.603 5.135 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OCc1ccccc1Cl 408771877 KVZDWAQDQGSXQG-XDYZZPCYSA-N 715.025 7.230 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408831473 PMKFFXCEDZSUMA-CRCYZHLCSA-N 638.529 5.901 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1C 408928930 LHOFQTSOLIRQJM-ZMOGYAJESA-N 596.459 6.228 5 40 KKBB COc1cc([C@H]2NC(SCc3ccc([N+](=O)[O-])cc3)=NC(C)=C2C(=O)Nc2ccccc2)ccc1C 408993598 WRGHCWIFVFAKPQ-RUZDIDTESA-N 502.596 5.758 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409036643 SADPPCIYVYLVEJ-ITNPZBTBSA-N 648.137 5.728 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409076679 BPLOYALQMHCVLC-ZCWBPALNSA-N 698.548 5.145 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@H]32)c2ccc(C)cc2)cc1 409091119 PKBJLEOQYADQQN-TUJIQRHUSA-N 510.977 6.289 5 40 KKBB Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 409182232 JJRVFBYBROUGBD-HHHXNRCGSA-N 515.543 5.517 5 40 KKBB COC(=O)C[C@H](O)C[C@H](O)CCN1C(=O)[C@](C(=O)Nc2ccccc2)(C(C)C)c2c1c1ccc(F)cc1c1ccccc21 504809004 CQAZGMYTSSOJAZ-ZLEIESQFSA-N 586.660 5.076 5 40 KKBB in-vitro O=C(Nc1cc(OCc2ccccc2)c(Cl)cc1Cl)c1sccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 12960071 GHDMLFRQOQPMNW-UHFFFAOYSA-N 583.371 8.606 5 40 KKBB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2Cl)CC1 57313944 OFOOGRWSJCIJFL-UHFFFAOYSA-N 521.426 5.673 5 40 KKBB CCc1ccc(C(=O)N2c3c(C)cccc3[C@@H](N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3C)C[C@H]2C)cc1 100159669 RDGAWNMUPQWZPI-KSSQQASVSA-N 573.693 8.001 5 40 KKBB CCOc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 100230826 KOEYODHKEHQRTH-WQRHYEAKSA-N 529.368 5.741 5 40 KKBB O=[N+]([O-])c1cccc(-c2cc(C3CCN(c4c([N+](=O)[O-])cc(C(F)(F)F)cc4[N+](=O)[O-])CC3)n[nH]2)c1 100920065 NBLSSIVINCJRBG-UHFFFAOYSA-N 506.397 5.204 5 40 KKBB O=C(Cc1cccc(Br)c1)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)c2ccccc2[N+](=O)[O-])C1=O 100947654 CFPIVPXNHPDGDA-SSEXGKCCSA-N 611.452 5.109 5 40 KKBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 103117297 OKFBKUZRCISHQN-DFFOYSGESA-N 537.403 5.887 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 103537168 LFXOAIZPQLAAIT-FVYOSNSJSA-N 555.590 5.885 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccnc1)[C@]21C(=O)Nc2ccccc21 103542981 BGAHJQLDWMQREK-UHLQNUQBSA-N 556.578 5.236 5 40 KKBB Cn1c(SCC(=O)Nc2ccc3nc(SCc4ccc([N+](=O)[O-])cc4)sc3c2)nnc1-c1ccccc1 103892729 VOZRLJVSDOCNQM-UHFFFAOYSA-N 548.675 6.023 5 40 KKBB COc1ccc(-n2nc3cc(C)c(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3n2)cc1Cl 105223357 DOGHLHVIEGQJPD-UHFFFAOYSA-N 528.377 6.420 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)cc2)cc1[N+](=O)[O-] 106717647 KSVUASRZXQGNCX-JJFYIABZSA-N 579.439 6.214 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222638922 FFKBDFWKPHFMIQ-YTTGMZPUSA-N 663.196 5.856 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223602923 POMKOXPBVOIZKA-RXFWQSSRSA-N 508.018 5.346 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225351298 YULZFMPOZGPWNN-LJAQVGFWSA-N 580.150 6.570 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260804989 QNIWQOOOSIYVOR-RUZDIDTESA-N 636.771 5.282 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260827881 ZFERFHXHAKIRNE-JOCHJYFZSA-N 691.634 6.280 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl 408562973 HEMGKTGGSZVPGJ-UHFFFAOYSA-N 500.747 5.608 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)c1 408564880 AQHJIFRAGGDYSQ-DEOSSOPVSA-N 539.455 6.336 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 408576154 XKADSZPGXYRVOI-ZAZCVSCESA-N 577.262 5.903 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OC 408577406 ZHVDKMYELCHICB-IBGZPJMESA-N 507.410 5.164 5 40 KKBB COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(I)c1OCc1ccccc1 408622571 RGVHGBMIWXOEFL-UHFFFAOYSA-N 518.307 5.348 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)O)n[nH]1 408631167 FPDOGLWXFFUQHW-GXHLCREISA-N 567.794 6.827 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)CC1=O 408649070 ZIHXBTCUZCTMBV-GOSISDBHSA-N 503.555 5.685 5 40 KKBB Cc1ccc(NC(=O)COC(=O)CCCCCN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1[N+](=O)[O-] 408682206 KFRSIMQRIYCJKM-UHFFFAOYSA-N 591.231 5.855 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 408728302 JMWLFVRPURYXRA-MHDNGKQISA-N 665.145 8.054 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729274 DDWLJEICIJFHBE-UPWSPCOFSA-N 650.496 6.533 5 40 KKBB O=c1/c(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408754275 GAGVQSZVJVQFLS-GONGWJOBSA-N 571.658 5.806 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408835027 WQUFHYJNVHTMHL-JLHDDXNDSA-N 613.692 5.073 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408855231 DPYUFMVFDPDVOP-UNDLXJOSSA-N 641.105 6.094 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409195460 UURVBZZCTSBRJY-BUELQQIUSA-N 809.326 6.944 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409253705 BUWZYKZYZIUKCE-VULFUBBASA-N 627.597 6.426 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Br)cc1 409269577 KJKCZBFAMOHQFM-CFRMEGHHSA-N 583.416 5.864 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409362314 UURRPYPECQKIOM-IPAKXIGBSA-N 727.033 6.409 5 40 KKBB O=C(Nc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2055837 QZLZMMCSIGRYJZ-UHFFFAOYSA-N 540.919 7.416 5 40 KKBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cc(-c2cccs2)nc2ccccc12 3176563 CDRINRWPGCCQTQ-UHFFFAOYSA-N 522.589 5.413 5 40 KKBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)n1 3358169 NQDXSOGKDGECOI-UHFFFAOYSA-N 513.597 5.535 5 40 KKBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(C2(c3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3)c3ccccc3-c3ccccc32)cc1 8398546 YMGBWIGKUUESQW-UHFFFAOYSA-N 698.647 7.467 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccc(Cl)cc3)cc12 8765776 HCDRTZLSRZYLNW-UHFFFAOYSA-N 512.927 5.541 5 40 KKBB CCCCOc1ccc(-n2cc(OC(=O)CCCC)c3c2nc(CCCC)n2c4ccccc4nc32)cc1 8871246 KDCDJUJZHNTTTG-UHFFFAOYSA-N 512.654 7.444 5 40 KKBB COc1c2c(cc3c1[C@H](CC(=O)[C@H]1CC[C@H]4[C@@H]5CC=C6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]14C)[N+](C)(C)CC3)OCO2 70672473 ZZXJOMSIUOUAHV-SCJSUVBASA-N 550.760 5.997 5 40 KKBB biogenic CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@]2(C=CC(c3ccc(CC)cc3)=NN2c2ccccc2)S1 97951132 AOGVUHMMTPUBGQ-NDEPHWFRSA-N 527.606 5.722 5 40 KKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc12 97952682 IQNYHZVBQZBSJE-HHHXNRCGSA-N 543.597 5.197 5 40 KKBB O=[N+]([O-])c1cc([N+](=O)[O-])c2c(Nc3cccc(C(F)(F)F)c3)n(-c3cccc(C(F)(F)F)c3)[n+]([O-])c2c1 100091586 LAPGUXQEZMSDHR-UHFFFAOYSA-N 527.337 5.862 5 40 KKBB Cc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccc(I)cc3c2=O)cc1[N+](=O)[O-] 102549627 NUVXUXWTNIURJC-VZUCSPMQSA-N 554.300 5.286 5 40 KKBB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4c5ccc(C(C)(C)C)cc5[C@H](c5ccc(C(C)(C)C)cc54)[C@H]3C2=O)c([N+](=O)[O-])c1 103116302 CQGAMSNGONRHRZ-LPOKLPNDSA-N 552.671 6.985 5 40 KKBB Cc1ccc(S(=O)(=O)c2c(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)n([C@@H](C)c3ccccc3)c3nc4ccccc4nc23)cc1 103855325 AKGSKXOGTSQKBX-JVIWHDFBSA-N 617.687 6.895 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n31)c1ccccc1CC2 104654909 KLZBPPZKQZJNAX-PYCBVSLESA-N 561.619 5.496 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 104708742 KNUUYIWEXXNMFX-UHFFFAOYSA-N 572.854 5.384 5 40 KKBB CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C(N)=O)C1 105315785 LYBUQZKPLMVLDB-ZDUSSCGKSA-N 526.640 5.293 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 106739070 FSWOGVNULVZDGY-QRVIBDJDSA-N 521.507 5.327 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163723634 DOPUYMREEGFWLN-PNZYDNNZSA-N 708.498 6.143 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222665096 LTIGRXXMMWLUMM-SANMLTNESA-N 621.543 5.429 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222972832 KLBIBZWOCJBMOZ-JOCHJYFZSA-N 631.151 5.094 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4)o3)cc2)cc1 224785732 IAAPTYNSLMHDJV-URLMMPGGSA-N 550.665 7.578 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 225556453 CLJFJNFOGPOIPX-IZLXSDGUSA-N 540.649 5.344 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 225639965 CLGYYKWFWSDEAE-VSGBNLITSA-N 541.633 5.868 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363861 WFJDIRTZEZIKNX-XYOKQWHBSA-N 509.370 8.004 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260875424 BFMBDIWGXZJHJP-SSEXGKCCSA-N 641.190 5.412 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)C(=O)O)o2)c1 408633335 MNVSSWXZEYLHLC-MTJSOVHGSA-N 509.496 5.448 5 40 KKBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ccccc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408634796 USXOTNPWLBBRDB-DEDYPNTBSA-N 510.984 6.402 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408682874 KDXLEGNDYAMFGP-SNINSWTHSA-N 692.981 6.906 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408682875 KDXLEGNDYAMFGP-TUSFPTNYSA-N 692.981 6.906 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408683757 MANKGYZREJJXNX-SNINSWTHSA-N 692.981 6.906 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729054 CHDBQWJHJKSVLT-FUFNRSNVSA-N 707.502 5.831 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 408766045 OEZVPLKYFWSSNM-AGQPMONNSA-N 678.744 8.451 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408825918 SBGAXTWAYFWPGA-HMAPJEAMSA-N 510.955 6.467 5 40 KKBB O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408838149 CKHAZSPKNDEBEL-VCHYOVAHSA-N 662.699 7.552 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408848019 WOOGZNXVQQCUQQ-MIUGUJGPSA-N 600.483 6.794 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408852961 ORXXNKGHWDRONA-OBDCIHEFSA-N 692.588 5.835 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1Cc1ccc(Br)cc1 408866495 HREPLQJWAJPASE-UUYOSTAYSA-N 559.825 6.826 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 408878060 WCHWQSWACGDQDZ-KSEXSDGBSA-N 666.428 6.639 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCCC6)cc3[N+](=O)[O-])sc2c1)c1ccccc1 408989392 HQMCUPPZLGUCOQ-UHFFFAOYSA-N 625.757 8.254 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409095310 HKXBJNDEAMJAMF-UJVJZFQOSA-N 686.171 5.452 5 40 KKBB CCOc1ccc(-c2cc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c3ccccc3n2)cc1 409179021 JJCJBQXCZXREMO-UHFFFAOYSA-N 520.541 7.358 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)N1CCc2ccccc2C1 409270040 NZNXOHCCODJRHL-QFEZKATASA-N 608.470 5.558 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409272249 FNXVGEONYDGNOO-WSDLNYQXSA-N 534.550 5.083 5 40 KKBB Cc1cc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)ccc1Br 6148277 XSCYITIBWCCWDU-UHFFFAOYSA-N 505.288 5.523 5 40 KKBB O=C(NC1CCC(CC2CCC(NC(=O)c3ccccc3[N+](=O)[O-])CC2)CC1)c1ccccc1[N+](=O)[O-] 8443709 WFACITQTCFQXJX-UHFFFAOYSA-N 508.575 5.171 5 40 KKBB CCOc1ccc(Oc2c(C)oc3cc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])ccc3c2=O)cc1 11865506 OSUOVMDOTOJGKI-UHFFFAOYSA-N 501.413 7.012 5 40 KKBB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22837380 VPTFEONIPGVRQI-UHFFFAOYSA-N 513.337 5.799 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 97949236 AWTOWUGNJIDAFZ-JTHBVZDNSA-N 681.263 8.021 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F 97949279 YDWSGPVEJKCFPS-RTWAWAEBSA-N 715.708 8.675 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 101974393 LEJPFFYPVREWFB-SSIUARNHSA-N 616.626 6.356 5 40 KKBB O=C(Oc1cccc([C@H]2N=C(O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)c1)c1ccc([N+](=O)[O-])cc1 102100805 MIBFGIZWMZQJRU-SANMLTNESA-N 540.601 5.863 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3O)nc2c1 105310490 GPFISCUDVOMSIZ-UHFFFAOYSA-N 531.594 5.452 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 105313661 RFVIBMZBVVZPGL-UHFFFAOYSA-N 571.707 6.097 5 40 KKBB C[C@H]1C[C@H](N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O 105513385 BPQHEHRVKPLBQY-CHJDUVSTSA-N 588.620 5.333 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(F)cc1 150394613 KQLJYGMEJIOANT-FQWZWQHVSA-N 630.053 5.896 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 208358524 UQSDPUYVWGVEEC-YLKQWKBVSA-N 609.660 5.437 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224336600 BJKQWOZACSMPIB-XIFFEERXSA-N 707.249 6.315 5 40 KKBB COC(=O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224792637 MDBIVBULWNUQRJ-XZWHSSHBSA-N 607.717 6.895 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224918729 CEORXZJTUSMJJV-LJQANCHMSA-N 607.516 5.040 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225446302 AJNXWZXXWWZGTA-UMSFTDKQSA-N 707.249 6.317 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247312162 ITRYXDCMWFQUAB-XLCRYHPNSA-N 531.524 5.170 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260926263 IXSQECOTTRKEAF-PGUFJCEWSA-N 686.831 5.828 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261004566 SJHMROCFIYMAGP-PIKZIKFNSA-N 679.623 6.136 5 40 KKBB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2ccccc2[N+](=O)[O-])N3Cc2ccccc2)cc1 408531639 VOYLXFNCGKDSTQ-UUWRZZSWSA-N 618.715 7.378 5 40 KKBB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1 408532494 ZBYSVKCYBCEGPI-UUWRZZSWSA-N 618.715 7.378 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 408570322 KXBXEDYMJJDVHX-DEOSSOPVSA-N 540.001 6.135 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 408577804 ZYSFHTLANSFOGH-SANMLTNESA-N 571.074 7.073 5 40 KKBB CC(C)(C)c1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 408637691 NBFFHQIJOVFZMI-DEOSSOPVSA-N 608.647 7.256 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408685090 ONSSENYRIVYVLU-ZYNNUQKQSA-N 642.081 5.738 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccccc1 408685670 PUQZHZACKJHSDF-UHFFFAOYSA-N 744.972 6.181 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408685718 QBRDEJGGXRLRMA-QYVZARNFSA-N 608.448 5.807 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408690173 ZXMORTZPIDXWOW-ZYNNUQKQSA-N 702.987 6.361 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733395 ICXJBLLPAZGISG-GBLIIGSVSA-N 598.464 5.582 5 40 KKBB Cc1cc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccccc2C)C3=O)ccc1Br 408755713 FAZDPVWNJGXDFE-UHFFFAOYSA-N 501.336 6.595 5 40 KKBB Cc1ccc2c(Cl)c(C(=O)Oc3ccccc3/C=C3/N=C(c4ccc([N+](=O)[O-])cc4)OC3=O)sc2c1 408848664 XQBIPZMFBRRKMQ-CPNJWEJPSA-N 518.934 6.335 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408910529 INZTZZHJZWOEPL-HNVAQCFTSA-N 913.528 7.031 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408989456 HSHIOEIWNIEOFB-YUEMOGKHSA-N 659.764 6.546 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4c5ccccc5cc5ccccc45)c(=O)n32)cc1 409081672 QBXHLQGGMTUOLO-LMBBUSAASA-N 581.697 6.189 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1CCCc1ccccc1 409129272 JFEAPMSCFKQJNI-LFVJCYFKSA-N 553.434 6.605 5 40 KKBB CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 409158141 NTMUOMASHZPFIM-XQNWCSQWSA-N 617.680 5.072 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409167861 OPOYIHGMZVNBOB-UHFFFAOYSA-N 659.142 5.508 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC 409193553 GKPXHOAYDOALOZ-XGLZOBASSA-N 723.620 5.958 5 40 KKBB O=C(CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)Nc1ccccc1F 409211128 KXOOCLNBIITJNO-SRZZPIQSSA-N 742.239 5.054 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409233281 UOXWMVGBYKAOEI-SSDVNMTOSA-N 552.381 5.346 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O)Nc1ccccc1Cl 409244261 AHGNRBFCLDECDV-SRZZPIQSSA-N 592.844 6.809 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1cccc2ccccc12 409269475 CBNXGLZMVCEZES-YDZHTSKRSA-N 533.949 6.336 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4C)C3=O)cc2[N+](=O)[O-])cc1 409272797 HGVFQKOCVGILAZ-OYKKKHCWSA-N 533.631 6.346 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)cc1 409337185 YNKFAKUPNVCMIB-GDZXGLFHSA-N 560.562 5.587 5 40 KKBB CCN(CC)[P@]1(=Nc2ccc([N+](=O)[O-])cc2)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1c1ccccc1 12492322 NVPCWZGJXRJMBI-LCZMSYCRSA-N 528.597 7.745 5 40 KKBB Cc1ccc(Nc2nc(Nc3ccc(C)cc3C)nc(N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2)c(C)c1 13838390 NKQGZXRUWXNUCR-FQEVSTJZSA-N 526.601 5.940 5 40 KKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)COc2ccccc2[N+](=O)[O-])cc1 22826665 MMODYXRWSFXFCJ-UHFFFAOYSA-N 503.338 5.691 5 40 KKBB O=[N+]([O-])c1cccc(C2=NN(c3nc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cs3)[C@H](c3ccc(F)cc3)C2)c1 33358432 HRPMXCRUGMYSIL-MHZLTWQESA-N 593.662 5.234 5 40 KKBB O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 34703706 DJEVXKNIEMLERP-UHFFFAOYSA-N 500.599 5.127 5 40 KKBB CCc1ccc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc([N+](=O)[O-])cc2Cl)cc1 102470325 VMKJLVQYUNTIAR-KPKJPENVSA-N 557.775 6.285 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 102956341 VPRGRGQLRLNGBU-ZMZJTNPCSA-N 540.834 7.992 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 103553936 WJQJFOJOQAGKLP-KCIBBDPESA-N 610.453 6.758 5 40 KKBB O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105352737 AMQVQUDBDLPUAP-UHFFFAOYSA-N 529.416 5.022 5 40 KKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccc(Cl)cc1 106687327 WMUHNIUBVJXNKS-GRSHGNNSSA-N 519.760 6.507 5 40 KKBB O=C1/C(=C/NNc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 150445028 PZSBCYJXYVUCNL-LFVJCYFKSA-N 658.014 6.212 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163719723 HPVNZADDKLWRBB-CBYYHRJHSA-N 752.949 6.252 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214118525 IBJXQMLQPHYZEV-SSDVNMTOSA-N 564.925 7.304 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223601549 ISKSDLFVXZHDON-ZBLYBZFDSA-N 554.112 6.036 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224393015 GKEHTRDHAVUHNY-JGCGQSQUSA-N 772.118 6.689 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(Sc4ccccc4)o3)cc2)cc1 224785249 NMGFUSBQBVLBKN-VMPREFPWSA-N 582.732 8.062 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225540840 ILDGZJKSBCHJGV-YIXXDRMTSA-N 659.205 5.791 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260996560 OSQXWZAXTFPSIO-PGUFJCEWSA-N 702.805 5.945 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccc(-c3ccc4nc(-c5ccccc5)cc(C(=O)Nc5ccc([N+](=O)[O-])cc5)c4c3)cc12 408720405 NLIGFXQIKDMSPY-UHFFFAOYSA-N 736.744 10.105 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729945 LKYVXXJLEANYSO-FVUNBJOLSA-N 651.697 5.554 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1)c1ccc(Cl)cc1 408750950 ULBIRSZCFYPQAR-UHFFFAOYSA-N 527.967 5.783 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 408925717 SKAQGRSRLRFKML-ZSJKCPIUSA-N 610.113 5.730 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(Br)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408954454 WXUSOOTVSDIPRU-UONGPDOGSA-N 773.456 5.828 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)Nc1ccc2c3c(cccc13)CC2 408984934 NJTKUBRPEHKPEY-UHFFFAOYSA-N 566.620 5.988 5 40 KKBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OCC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O 409010996 FDMHSARUNJFDDO-FVUPAENESA-N 579.425 5.323 5 40 KKBB CC(C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409017646 NUEKGWWLBWJFNM-RQZCQDPDSA-N 650.232 5.828 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409031536 HEJNIGJOGVRUPP-OKMHPQNISA-N 752.640 5.852 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1 409108301 ZTJCMUNRBYKUQV-JYXZFHPPSA-N 726.631 5.213 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccc2ccccc12 409162397 VBUCYLADPJSNMQ-UQDCTOEPSA-N 600.052 5.773 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409176348 LCTJIVWWDMVBLE-YSURURNPSA-N 646.903 6.582 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1Cl 409247210 GVEWQMILMOJRSJ-LPYMAVHISA-N 523.954 5.502 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409254089 CSXXAXNUYSPIKV-AUEPDCJTSA-N 622.280 7.162 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)cc1Cl 409273749 SCGFJPDOGCZUMW-SRZZPIQSSA-N 527.942 5.500 5 40 KKBB Cc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409386010 NGDVCBDWDUNKHM-MTJSOVHGSA-N 537.619 5.877 5 40 KKBB O=C(Nc1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 2069013 HZLNGYGAGUBPPZ-UHFFFAOYSA-N 589.317 7.070 5 40 KKBB O=C1c2ccccc2C(c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)(c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)c2ccccc21 8435237 YXWAFJMGMPWRHR-UHFFFAOYSA-N 726.657 7.031 5 40 KKBB COc1cc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Oc5ccc(F)cc5)cc([N+](=O)[O-])c4)c3N2)cc(OC)c1OC 8444568 NXHFAHCBVRIXDA-RDGATRHJSA-N 631.539 6.661 5 40 KKBB COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1cccc([N+](=O)[O-])c1 27552705 REKMNEQEAGFZLC-UHFFFAOYSA-N 528.565 5.124 5 40 KKBB CN1/C(=C2\C=NN(c3ccccc3)[P@]2(=Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C(C)(C)c2ccccc21 97983987 VHNYZBLSCUXPBW-VLSIGIBJSA-N 612.468 8.576 5 40 KKBB Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 100396179 MBYORINFZCMYBY-PLQXJYEYSA-N 577.593 5.838 5 40 KKBB COc1ccc(C(=O)N2c3ccccc3[C@@H](N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)C[C@H]2C)cc1 100693809 UKNXJQNIZVYFFY-DDMDEBRESA-N 547.611 6.830 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)CCCCCCCCCCCCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC 100921935 FZPNPKXBLNMCBD-UHFFFAOYSA-N 630.742 5.605 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 102370257 HPEVXTCHWZUTIR-XKEBTDTJSA-N 599.643 6.364 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)C[C@H](O)COc1ccc2oc3ccccc3c2c1 102929434 SUHAOCWMJQQSJU-QHCPKHFHSA-N 546.601 5.433 5 40 KKBB O=C(NCCN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 103021750 PLWYIRISYIYXGS-MIXAMLLLSA-N 574.618 6.430 5 40 KKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 104221738 NURRSSYNRKZLNV-UHFFFAOYSA-N 549.425 6.971 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 104485929 FGWJEWDIVIKDEH-UHFFFAOYSA-N 582.436 5.129 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 105458004 OSMQZTRJRIAOOD-XBXARRHUSA-N 565.866 6.052 5 40 KKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112231048 OHFUKJRLYDSVHE-UHFFFAOYSA-N 533.635 5.143 5 40 KKBB CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2Cc2ccccc2)c(C(=O)OCC)c1C 150391282 QTCXLABIYKISRU-HXUWFJFHSA-N 694.792 5.316 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2-c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 150431409 HFMRMVWEOIGTSV-SFHVURJKSA-N 694.792 5.359 5 40 KKBB O=c1/c(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 150445440 KSQULDNYTGSKQM-OKMHPQNISA-N 868.447 6.923 5 40 KKBB O=C(NCc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(F)cc2)n1-c1ccc([N+](=O)[O-])cc1)c1ccco1 150508122 XETWVVUTQWLAPZ-HSZRJFAPSA-N 631.671 5.369 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 214813161 GPNLVQQEXUIGDX-FSJBWODESA-N 685.323 7.720 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223469660 CLOFRBMXGINFAW-MHZLTWQESA-N 679.623 6.136 5 40 KKBB COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224782850 AHMZGKDZDOYZTH-IHLOFXLRSA-N 579.707 7.117 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225253252 XURSGYWDPFDXOM-GDLZYMKVSA-N 661.608 6.353 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225673695 HDOFYYSAPKOVLG-CCLHPLFOSA-N 635.570 5.819 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225708389 IUWOBWLUDPSBJH-FQRUVTKNSA-N 714.068 6.789 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 408566080 DUDTYBHWAIOSDY-QHCPKHFHSA-N 528.993 6.066 5 40 KKBB CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408570087 YPZGQUQWXDXXLP-FMNCTDSISA-N 577.262 5.857 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 408572307 QVPOLQZEJIFCSM-XMMPIXPASA-N 573.900 6.989 5 40 KKBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408650738 BKKGDFRGMKHSSW-VLFJQQMOSA-N 708.165 5.813 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4Br)C(=O)[C@H]23)cc1 408728810 UOFRDCXSWDFWCC-OFRZWCKSSA-N 741.594 7.563 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)cc1 408828064 VQHLWIMLFDAUDX-IYVASWNSSA-N 638.529 5.901 5 40 KKBB O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408842039 HZBLYNDFONTSEE-CXUMLNDESA-N 519.307 5.586 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408989664 UXLCLYJCTMOCOC-QZVQSRICSA-N 682.154 6.085 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409039400 QWGLEABTJYOKOI-OKMHPQNISA-N 708.189 5.743 5 40 KKBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 409103848 XAIWNTQLBBSNJF-GIJQJNRQSA-N 510.446 5.394 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)cc1 409169452 QXGQJWMGACNYPP-WYMPLXKRSA-N 628.457 5.629 5 40 KKBB CCOc1cc(CNc2ccc(Br)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409193969 JEXSQUWJJPVYPT-UHFFFAOYSA-N 536.220 6.710 5 40 KKBB CCn1c2ccccc2c2cc(-n3c4nc5ccccc5nc4c4c(=O)n(C5CCCCC5)cnc43)ccc21 9347857 FPEIUEXTLYMADT-UHFFFAOYSA-N 512.617 6.917 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1-n1ccc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1 12956199 WRIBERIOZVUKQI-UHFFFAOYSA-N 536.825 6.746 5 40 KKBB O=C(NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14275637 NXYDEEQVVYABHW-UHFFFAOYSA-N 510.428 5.628 5 40 KKBB COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cc(C)ccc2N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C 97999690 JXDFWRPWRCZAKO-UHFFFAOYSA-N 747.225 5.788 5 40 KKBB O=C1OC(c2cc(I)ccc2Cl)=N/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 100475297 LYQIPOVSSDCRPB-NVMNQCDNSA-N 591.701 5.898 5 40 KKBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 103059991 CSPGXBDTBLRFPC-HSZRJFAPSA-N 533.046 5.574 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 103553941 WJQJFOJOQAGKLP-NBJHOTSESA-N 610.453 6.758 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163623929 XFZDBWQVOKDGES-RWTNITNYSA-N 757.368 6.897 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(OS(=O)(=O)c6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)c1 163768593 VZOPJNSBMYISHR-SAGCDJCOSA-N 651.722 5.003 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c2=O)=N1 164203865 YUEMRWMLECQCPJ-HTNWYMAZSA-N 707.761 5.876 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 214624948 AENQVEWQUDTXON-WYMPLXKRSA-N 569.433 6.490 5 40 KKBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1 224647878 GEWVRSWGOBTPDO-VMPREFPWSA-N 533.613 6.750 5 40 KKBB O=C(O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224783757 LVWNRFIJVSJIIR-VMPREFPWSA-N 593.690 6.807 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225493970 LJLUTPYACFHFPJ-YTTGMZPUSA-N 646.741 5.486 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 225577637 IWTBOGOJRQFRGA-RRPNLBNLSA-N 526.622 5.090 5 40 KKBB CC1=C[C@@H]2C[C@@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@@H]21 226411568 ZRHIGDZIDKQKSO-FLXBVFITSA-N 524.529 5.446 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260769088 GISURIPNVZAUKE-JOCHJYFZSA-N 691.634 6.280 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1 408613064 XEDKGYHNBRUMFT-UHFFFAOYSA-N 547.349 5.146 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408630018 MIMDFHSIAVAOIS-UHFFFAOYSA-N 628.490 6.284 5 40 KKBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 408642443 DVWIFYULOBDHRX-NREPNLDQSA-N 573.989 5.478 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408831595 QZMFNRNVMSWJAO-FQKMCRJQSA-N 608.072 5.407 5 40 KKBB O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 408917962 DELZLAOSQSNHAW-ZRDDSIGQSA-N 509.743 5.151 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408940030 NUOPOGQEHQUXGK-ITNPZBTBSA-N 678.163 5.735 5 40 KKBB Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCC6)cc3[N+](=O)[O-])sc2c1 408992575 SMBAQWVDNIGPBS-UHFFFAOYSA-N 625.757 8.173 5 40 KKBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409096126 JVZYLPFWUBUUIZ-GIJQJNRQSA-N 569.817 5.578 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409149846 SFWMYZCIWSRQLX-MTDXEUNCSA-N 618.668 5.084 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)C2=O)cc1 409156407 ODHCWHYBKWLADR-AFUMVMLFSA-N 608.585 5.768 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(F)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 409179061 PRMJZYQTUHSYHZ-MHDNGKQISA-N 648.690 7.540 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 409191916 QGMRORHFTKCDFN-FATJQOLTSA-N 768.708 7.519 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409194432 LHNXTOSQUNDLFZ-IPAKXIGBSA-N 751.674 6.738 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409271171 JQGAKJBSRUFSNA-UDWIEESQSA-N 546.966 5.265 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1Cl 409274258 ODSGKXJTOLZPJK-KEBDBYFISA-N 548.360 5.845 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409275442 USKHCCVCHGGZOO-CVKSISIWSA-N 561.616 5.864 5 40 KKBB O=C(Oc1ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc2c1)c1ccc([N+](=O)[O-])cc1Cl 1807421 QPYVWOYCTZYAHP-UHFFFAOYSA-N 584.684 7.147 5 40 KKBB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 2276119 QDHIJOWZZZDWPP-AREMUKBSSA-N 501.518 5.375 5 40 KKBB Cc1ccccc1-n1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1c[nH]c2ccccc12 3303235 LJIAAASHJSCWAK-UHFFFAOYSA-N 502.531 5.502 5 40 KKBB CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1 4292733 BOPDSOWRVCSFON-UHFFFAOYSA-N 546.388 5.764 5 40 KKBB biogenic Cc1ccc(-c2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463607 ANHAAWOHOIMOSV-UHFFFAOYSA-N 505.599 7.464 5 40 KKBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)CC1 59825776 WXJCKGYLLFAAEX-UHFFFAOYSA-N 529.018 5.364 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)n1nc(NCc2ccc(Br)cc2)nc1NCc1ccc(Br)cc1 97995261 UJUOXDFBUVKRBX-UHFFFAOYSA-N 586.244 5.624 5 40 KKBB O=C(C[C@H](c1ccccc1)[C@@H](C(=O)c1ccccc1)[C@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1 100053307 QFFRUDKBZNZJIJ-KVFIQDKASA-N 554.646 8.304 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Br)ccc3o2)cc1C 100309846 KNBZVPOAXRSXSK-UHFFFAOYSA-N 525.384 5.909 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@]21C(=O)Nc2ccccc21 101670088 SHEJUFCNSNOQPC-QVJCSHTLSA-N 611.698 7.040 5 40 KKBB O=C(OCc1cnc(-c2ccccc2)s1)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 103083522 DCBGTCZZWUEPAV-CJLVFECKSA-N 533.609 7.500 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 163759340 OHFGMFZGIJNVFL-VPHSIRQSSA-N 628.663 5.530 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 169314039 SSIWVYBQEYMNGF-BNYMOMJGSA-N 692.724 6.810 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223474162 DFKOPVDIKYJFDK-RUZDIDTESA-N 714.068 6.789 5 40 KKBB CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229865693 RTWWHVYTDFRGAQ-BQFNBOMDSA-N 625.725 7.574 5 40 KKBB O=C(c1ccccc1F)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 247313867 JGNJRRHOXRHTNS-YGGCMVMVSA-N 559.553 5.590 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260971991 MORNQFPHBQBAPE-JOCHJYFZSA-N 645.178 5.401 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408571595 PETJMRCWUIOFBX-VWLOTQADSA-N 573.502 7.279 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408753761 CKHWLCAOZBCTCO-HZHHUVPKSA-N 727.580 6.419 5 40 KKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1cccc(Br)c1 408829357 FOUFLSJQMWXXIV-UHFFFAOYSA-N 514.788 7.054 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 409002635 VUVSSSNHTQVHGM-SWBDNCPRSA-N 693.803 6.153 5 40 KKBB CCN(CC)c1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)cc1 409003321 ZLNPQBJPQJXCNA-UHFFFAOYSA-N 587.474 7.518 5 40 KKBB CC(C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409023873 LPPRJHPTXCWWCQ-VCHYOVAHSA-N 524.336 5.223 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409051775 GEWWVNVIACCBHZ-HAHDFKILSA-N 585.432 6.060 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409106385 NGJIZOKWOBPXFC-LCQSEVKBSA-N 681.565 5.052 5 40 KKBB CCCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3ccc(C)c(C)c3)c(=O)c2c1C 409120952 UVASMDQBICFRHA-UHFFFAOYSA-N 533.597 7.403 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409161797 PUWSARNIKVDEQW-LXYLXTGBSA-N 727.431 6.119 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 3017198 JPENBPATZRGJRB-UHFFFAOYSA-N 529.387 5.635 5 40 KKBB Cc1cc(C)c(NC(=O)CCCOC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 25390535 KKUCVIRHPHSALZ-UHFFFAOYSA-N 508.958 5.980 5 40 KKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@@H]3C2=NN(c2nc(-c4ccc(-c5ccccc5)cc4)cs2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 96022670 NRERLGVASAWBHW-CWORDSJHSA-N 613.699 9.095 5 40 KKBB COC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 97948721 ADWIIYKKEIXAPN-UHFFFAOYSA-N 599.090 5.375 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]3c2ccc(OCC)cc2)cc1 97971236 AKSZYOCCHXPUBR-WYFUUEIOSA-N 570.602 6.737 5 40 KKBB CCCCN(CCCC)CCCN1CC(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 103073329 COAOCXQICIJTEL-OFSOJUDTSA-N 545.684 5.053 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)c(C)c1 104329825 SJJMIXDIJUGNSU-UHFFFAOYSA-N 538.608 6.612 5 40 KKBB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306044 XEADVVFXTREMFD-UHFFFAOYSA-N 557.676 6.952 5 40 KKBB COc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl 105315017 QPDQBRFHYWTADF-UHFFFAOYSA-N 568.055 5.626 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 197824372 DFYBKGSWVICSKI-UHFFFAOYSA-N 659.142 5.508 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 208360546 TVJDFFMAJCXSOF-YLKQWKBVSA-N 609.660 5.437 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223809372 BNZOVVIGMPCDSZ-INJOXJOKSA-N 786.145 7.078 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224542077 CMQMJUOEKNKHOM-WJOKGBTCSA-N 683.614 6.263 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224848931 HOSHIWPMGVXCRJ-SANMLTNESA-N 540.085 5.646 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 225653584 ZHIGTMSJGNRRPK-SVBPBHIXSA-N 526.622 5.090 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225731123 ROIMBWORBLGLCM-AREMUKBSSA-N 645.178 5.401 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247358551 YPPHDLHIAYXVKH-UPOHCCNUSA-N 576.008 6.230 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 408564994 AXWACIVLHHTIGJ-RUZDIDTESA-N 587.471 6.565 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408565518 LFSJWGRUDUUOOB-STNVRERYSA-N 621.315 6.256 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(Cl)cc1 408566805 GEUSDOZVONJXJS-JOCHJYFZSA-N 567.857 7.364 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 408569687 WYIHDXKOVYLVJR-PBPLDAPSSA-N 564.436 5.091 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408571159 NXRWRGUNMFGJAK-RUZDIDTESA-N 652.398 8.041 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408573452 SXKMPOSVAWOAPX-DEOSSOPVSA-N 638.371 7.651 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1Cl 408639525 FTRGUFSJVINSIQ-ZBWOKKAISA-N 720.991 6.588 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCC1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408650110 ZLXSZHHDVBWHCX-UHFFFAOYSA-N 542.331 5.083 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408666056 ZWUBICOPLAHPQH-ZRZAMGCNSA-N 622.417 5.312 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(F)cc1 408687540 UPASGTJDUMFGBC-QKCPIRFBSA-N 670.091 5.421 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 408733558 JTKOZPBPBLHDBA-YVBHXKDBSA-N 674.529 6.297 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 408781428 AHAWFYXVDYXDHH-NXYYLBPMSA-N 868.569 7.512 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2=O)=N1 409038337 OJHIXHBXXJPRQW-QPJBPQEWSA-N 652.523 5.518 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409154935 PKCNWMNIDBZSQJ-BHGWPJFGSA-N 644.525 6.342 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409172930 JLIQKXFFTSNHKA-LQDDJWCHSA-N 736.689 8.857 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Br)cc4)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409346525 OSPGUORNOGTRQI-JBDHCHCMSA-N 648.535 5.356 5 40 KKBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(C(OC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1 3206410 AOMBEYWNXALWJL-UHFFFAOYSA-N 542.388 5.789 5 40 KKBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 4065204 MDZZMUDVEIWUSA-UHFFFAOYSA-N 622.684 8.310 5 40 KKBB CCc1c(CC)c2n(C)c1C=c1c(CC)c(CC)c(n1C)=Cc1c(CC)c(CC)c(n1C)C=c1c(CC)c(CC)c(n1C)=C2 4268305 HLOYNDRYGYXAIF-UHFFFAOYSA-N 592.916 5.168 5 40 KKBB CC1(C)O[C@@H]([C@H](O)COC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C(SCc2ccccc2)SCc2ccccc2)O1 4991055 FHVAEXJDMFGHSI-UODIDJSMSA-N 569.701 5.826 5 40 KKBB c1ccc2c(c1)C1=NC2=NC2=NC(=NC3=NC(=NC4=NC(=N1)c1ccccc14)c1ccccc13)c1ccccc12 5707314 LOWPZDCTVDWTBN-UHFFFAOYSA-N 512.536 4.828 5 40 KKBB biogenic Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1 6194285 KISHJMCICXYDJE-UHFFFAOYSA-N 525.590 5.947 5 40 KKBB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)c2)cc1 60016164 VTJRKHRYNZILCT-UHFFFAOYSA-N 571.655 5.957 5 40 KKBB CC(C)(C)c1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(C(C)(C)C)c1O 97954375 DIIJGUKJVOJOLH-WEWMWRJBSA-N 543.620 5.947 5 40 KKBB CC(C)Cn1cc(OC(=O)c2ccc(Cl)cc2)c2c1nc(-c1ccc(Cl)cc1)n1c3ccccc3nc21 97954897 XIMQROQDHGSODC-UHFFFAOYSA-N 529.427 7.686 5 40 KKBB CCCCCn1c(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(=O)OCC)c2nc3ccccc3nc21 97983456 OAKYLOOXJLCSPJ-UHFFFAOYSA-N 546.005 5.314 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc5c(c3)OCO5)N4)cc([N+](=O)[O-])c2)cc1 97999846 HUUKEYFCAKUFAJ-GJZUVCINSA-N 611.533 6.624 5 40 KKBB O=[N+]([O-])c1cccc(-c2csc(N3CCN(CCCN4c5ccccc5Sc5ccc(C(F)(F)F)cc54)CC3)n2)c1 98042869 MTJITVNXCQGPPK-UHFFFAOYSA-N 597.688 7.552 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 100319791 RQTXRZFZSIDXKC-QPJBPQEWSA-N 606.125 5.820 5 40 KKBB COc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c([N+](=O)[O-])c1 100947602 XSOHQUOXCXSZLF-PMERELPUSA-N 577.597 5.127 5 40 KKBB Cc1nn(-c2ccccc2Cl)c(O)c1[C@H](c1cc([N+](=O)[O-])ccc1O)c1c(C)[nH]n(-c2ccccc2Cl)c1=O 101530053 FNLFHYJLGQRFBY-RUZDIDTESA-N 566.401 5.775 5 40 KKBB CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(O)=C2[C@H]1c1cccc([N+](=O)[O-])c1 102930629 WGUZESRLKNRDEF-QCBOHVIISA-N 565.714 9.023 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(c1cccc3ccccc13)=NN2c1ccccc1 103757260 FECPAFXNHOYCRP-UMSFTDKQSA-N 599.672 7.261 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 111469672 WNCUXJKIVLFQPY-CTHKJOMYSA-N 623.662 5.860 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 163672071 IQFDMVVFDYEKNO-DXUGRCAZSA-N 745.570 6.558 5 40 KKBB CC(C)(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccc4nc(SCc5ccc([N+](=O)[O-])cc5)sc4c3)n2-c2ccccc2)cc1 164764152 ZFIMUCZDXFMMOD-UHFFFAOYSA-N 696.880 8.685 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222778142 DJJCMNJZJCQHPP-RUZDIDTESA-N 700.041 6.399 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223768704 PXARRCGUHFNCTM-KDYSTLNUSA-N 598.563 6.145 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223768809 PXARRCGUHFNCTM-IDISGSTGSA-N 598.563 6.145 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225084865 HNAOZOTVJUFDMT-XIFFEERXSA-N 709.652 6.796 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225309555 FDLPRKFNTIJJPB-NRFANRHFSA-N 512.459 5.468 5 40 KKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 225379373 GDCGRAYAFBNROG-IZLXSDGUSA-N 526.618 6.748 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260935994 CCGJWQLCNDFKBS-JGCGQSQUSA-N 725.239 6.454 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261048412 ZPVXMZOPBFDZQM-IBVKSMDESA-N 714.068 6.789 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261058021 NFGFCAJHTXUBNH-FOPBOCKXSA-N 721.276 6.624 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Br)c1)[C@H]1CCCN12 408569648 WUSXEOSFZLJTND-YUHKXCSQSA-N 603.300 6.389 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 408570051 YGBLYMLQUINLQJ-JDKFTNMGSA-N 516.356 5.280 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408826212 BTBLIHAZBDTATP-KEPJHFNWSA-N 644.662 5.194 5 40 KKBB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408839126 NLTSERWFSQKXFR-RQZCQDPDSA-N 629.886 8.548 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 408844904 XEVFWOAMBOMVMF-KUSDHMTMSA-N 621.671 5.421 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 408917948 DBIXJWGPWFWYER-WSDLNYQXSA-N 646.415 5.722 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccccc1Cl 409060708 UGPJIQDAFVNBHK-MTJSOVHGSA-N 545.798 6.831 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409132443 ZVOGSWLPAKOSSF-WGOQTCKBSA-N 597.487 7.004 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409163751 XHPKHMJOFHKAAC-ZVHZXABRSA-N 568.007 5.901 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O)Nc1ccccc1Cl 409246030 CXADYEYTYFDAKB-LPYMAVHISA-N 523.954 5.502 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 409276281 ZXPAEKTZQVXPBN-DHRITJCHSA-N 596.017 5.584 5 40 KKBB O=C(COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cc1 3223311 BAULKQDUYHNCGY-NTEUORMPSA-N 536.466 5.661 5 40 KKBB O=C(Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 6445263 GJTRLVKBFPJOKI-UHFFFAOYSA-N 526.456 5.824 5 40 KKBB CCOC(=O)c1sc(NC(=O)c2ccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c(C(=O)OCC)c1C 8427039 GAAHPFUMLZMAAA-UHFFFAOYSA-N 543.510 5.271 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)cc1[N+](=O)[O-] 100380676 AGVNCYIJEMCURN-UHFFFAOYSA-N 526.578 5.316 5 40 KKBB CCc1cc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)oc2cc1OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 102674876 OJYJXYOQSWKPPO-FQEVSTJZSA-N 608.566 6.920 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc([N+](=O)[O-])o1)N1C(=N2)C(N2CCN(c3ccccc3)CC2)=Nc2ccccc21 102940069 GJBLQVHEFCQPPK-SSEXGKCCSA-N 584.640 6.187 5 40 KKBB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 102959283 HZWNHXFHBPRORS-UHFFFAOYSA-N 528.030 6.786 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1NC(c1ccccc1)c1ccccc1 103005592 OCFJIFOWELQZFM-UHFFFAOYSA-N 527.524 6.616 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)Nc1ccc(Cl)cc1Cl 103777305 ZAKFCIXDTSBEFM-UHFFFAOYSA-N 559.412 6.043 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccccc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1 104656684 WDRGEDKNFZOMLW-JLKMOJGBSA-N 561.619 5.496 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223375515 AAFULMBRNBGUPP-NEKDWFFYSA-N 533.694 5.691 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224163040 HNFLJEIYSMELNM-HKBQPEDESA-N 649.169 5.610 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Br 224940627 GXMVBUMRFXOGSZ-BJKOFHAPSA-N 535.423 6.498 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225266733 UYQBKROAFJNFMZ-LJAQVGFWSA-N 559.663 5.380 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 408564834 AMVFVIQSYZBXEV-QHCPKHFHSA-N 563.438 6.719 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 408570739 LZNBZWBTLLDAFM-VWLOTQADSA-N 593.920 7.624 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(C)cc1 408571856 PSPVBXPVCMTFIB-HHHXNRCGSA-N 611.562 7.351 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 408575397 WCZTVSMLFIJAGO-VWLOTQADSA-N 601.498 6.874 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1OC(C)C 408833123 SZHSJXGESGAILD-IVQFASICSA-N 643.718 5.081 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc(I)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917247 PTGZAWBLVMLYRT-WSDLNYQXSA-N 651.276 6.777 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408999886 SRBIFBSUEASNCX-AGQPMONNSA-N 747.634 9.758 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409160629 VBOZRXKLCJTJJF-FSJBWODESA-N 621.977 7.133 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409191133 ZVHBAMXMSSYIDG-HNVAQCFTSA-N 799.718 7.486 5 40 KKBB O=C1N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccccc1 409204159 CMCMLJRJTVPBDR-WOJGMQOQSA-N 562.298 6.261 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409238241 WKJVBSPKHKYZNM-YDZHTSKRSA-N 646.903 6.663 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1 409348876 TUBYSYXCNNHGNL-OYKKKHCWSA-N 568.076 7.198 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409371053 ASVYJAZJNMSNCI-WYMPLXKRSA-N 592.586 5.904 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 1013691 ZIIXCYWADSFLMV-UHFFFAOYSA-N 559.913 7.083 5 40 KKBB O=C(Nc1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 3663300 RNPQKBLVNVYHIT-FQVJYRSNSA-N 562.841 6.873 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 6227725 SCQMNFDZMOSBFM-JGTYQCAFSA-N 584.437 5.273 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(C=CC(c3ccc(Br)cc3)=NN2c2ccccc2)S1 97999565 QDQXTWULCRQEGG-SANMLTNESA-N 578.448 5.922 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 100305680 RUMFIVMPDYBLEL-ZSJKCPIUSA-N 578.046 5.353 5 40 KKBB CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(O)=C2[C@@H]1c1cccc([N+](=O)[O-])c1 101648372 DDISXWZZZYTVPI-IPBJYNAHSA-N 537.660 8.098 5 40 KKBB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2-c2ccccc2)c1 102996980 MJCPNTPDAKJOQM-UHFFFAOYSA-N 601.110 5.257 5 40 KKBB CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103060446 RTWWHVYTDFRGAQ-ZYDSRVDWSA-N 625.725 7.574 5 40 KKBB Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cc(C(=O)NCc2c(C)cc(Cl)cc2Cl)cc([N+](=O)[O-])c1 103753798 TVTIEDLVNLOIIV-UHFFFAOYSA-N 555.245 6.685 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112240376 BBJOLKVHBASOEY-UHFFFAOYSA-N 553.600 5.520 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 150463844 WMKBUWXKWUCVTF-NHDPSOOVSA-N 622.266 7.074 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1[N+](=O)[O-] 214991234 NBWKBGMJMANGFA-SRZZPIQSSA-N 522.451 5.440 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 215271541 YOCFDKXIVUQTLL-HCGXMYGOSA-N 608.934 7.033 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223698336 BHYJAESKRBUIHS-AREMUKBSSA-N 659.205 5.525 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224221031 RCAFLPMAHYLVLX-NDEPHWFRSA-N 671.216 5.935 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224554753 AGDVMWODSYSXTA-AREMUKBSSA-N 588.557 6.690 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224996389 ZFPMHXZCLYNGOM-YTTGMZPUSA-N 772.118 6.688 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)o1 225087417 VKSBBTGBTWZOEZ-ZWXJPIIXSA-N 621.675 6.453 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225561470 VBSMHXGMLCTPFL-WJOKGBTCSA-N 679.195 5.455 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3cc(Cl)ccc3N1[C@H]2C(=O)c1ccc(Br)cc1 248078244 CASFWPMBCHBMJZ-DDKRZIBASA-N 592.833 5.592 5 40 KKBB CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408556593 KSGZVUCWPJRDOU-DEOSSOPVSA-N 610.857 6.609 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408557366 MZBUEBOADDUJOD-UHFFFAOYSA-N 512.187 6.864 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408666576 VDMCBQXZHLNRBF-WOQLAOQXSA-N 612.469 5.738 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408811116 QQKHFLGFPAYCTD-NFYDWNOTSA-N 778.394 5.792 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1Cl 408829366 FPYWRYXNZFKDHZ-ZFWDJNJRSA-N 794.849 6.306 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 408841543 JPBJYXKKDJDTKF-YPCWPJDZSA-N 662.680 5.945 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccccc1Cl 408916451 CKBAPWRBDIEIGN-YDZHTSKRSA-N 559.427 7.116 5 40 KKBB COc1ccccc1N1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409056580 HKYNYQXNMPVWGI-XKZIYDEJSA-N 541.379 6.186 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3OCc3ccccc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409181092 VZGRIHKFGKUIPY-XGLZOBASSA-N 727.431 6.119 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409379860 AEWDXGRLJAWZSR-QFEZKATASA-N 685.496 5.408 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O)N1CCc2ccccc2C1 409384670 DOKBXIVORYWTNW-CFRMEGHHSA-N 598.464 6.102 5 40 KKBB CCOC(=O)CN(C(=O)CSc1nc(-c2ccc(F)cc2)nc2c(CC)cccc12)c1cccc([N+](=O)[O-])c1 6860471 WUZKCQPLDTYILH-UHFFFAOYSA-N 548.596 5.595 5 40 KKBB CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)[C@@H]1c1ccccc1 8680026 OWZAHLFMWUAULW-OFVILXPXSA-N 535.354 5.201 5 40 KKBB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8835780 VLGZPRIOORGLJA-UHFFFAOYSA-N 504.490 5.601 5 40 KKBB CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@H]13 9033649 BHKWBTATPFLOTL-LKVDQOIUSA-N 520.626 5.610 5 40 KKBB Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1 33353840 CSXHCGJWBFCUPP-KBJASICCSA-N 538.714 5.431 5 40 KKBB Fc1ccc(OCc2cccc(-c3nc4c5sc6nc(C(F)(F)F)cc(-c7ccco7)c6c5ncn4n3)c2)c(F)c1 98046267 ZWPXGXHVDZCDCL-UHFFFAOYSA-N 579.510 7.690 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 100845025 PQCZGDMCCXFVTA-KIHHCIJBSA-N 534.355 5.300 5 40 KKBB COc1cccc(C2=NN(c3nc(-c4ccc(Cl)cc4)c4ccccc4n3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 101894494 KRIDZPXJSXQAJT-NDEPHWFRSA-N 535.991 7.223 5 40 KKBB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 106551303 RAGIMBOSHGQPCF-UHFFFAOYSA-N 604.088 5.906 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 150395435 UVGJMOJACOUNKW-VZVSMJQGSA-N 659.764 6.546 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214913345 YKIJICDJBQDMIW-FSJBWODESA-N 600.403 6.693 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 214923635 XESFULOWGBGNDY-SRZZPIQSSA-N 556.350 6.294 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223549365 ADFVZEVXOHRREK-AREMUKBSSA-N 635.570 5.819 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225134838 LLJUIYXZPLUGPW-GDLZYMKVSA-N 627.163 5.700 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225300419 IXQUJKJTFUJSLV-PGUFJCEWSA-N 686.831 5.972 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225428397 BUHNZZJVXXDBMY-SANMLTNESA-N 554.043 5.192 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 225697316 OFIPRYANABOZNA-SXOMAYOGSA-N 527.606 5.560 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 247310837 IODFOBPZJQDETA-YGGCMVMVSA-N 559.553 5.590 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H]3CN(C)[C@@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Cl)cc1 408564759 FTZSNZBQWLIBQL-ZNCVFPSASA-N 512.393 5.403 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565922 MFCXFKLFQIDFSI-HGMMTPDKSA-N 577.262 5.857 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 408570970 MMTWUNKOFICJHT-RUZDIDTESA-N 593.920 7.624 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408655109 KVAYQLVLWNGCBO-QXUFZFKLSA-N 599.426 6.049 5 40 KKBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)CC2=O)cc1[N+](=O)[O-] 408658114 UWEKBESETJXEAM-QGZVFWFLSA-N 571.369 5.208 5 40 KKBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408673361 WRNCWMWMWSBTHY-NYYOMNLDSA-N 627.653 5.567 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408776756 RBFTVZMNFIQUMV-FUZBLHKMSA-N 689.790 6.555 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)S2)cc1 408787290 WPQNSNBMXPKAMG-AOLPSBPOSA-N 619.335 6.861 5 40 KKBB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)S1 408808436 POQQVTDLODOBJN-UHFFFAOYSA-N 518.018 6.631 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408867107 JWHQYJBXQACSGP-JJFYIABZSA-N 666.428 6.639 5 40 KKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)o1 408925745 SRPQNYKESIORKA-SUAMDDGLSA-N 605.694 5.086 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c5ccccc5cc5ccccc45)c(=O)n32)cc1 408928143 ZXWGAYJDCQXTJN-JLKMOJGBSA-N 564.732 6.215 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409221761 ASKXRLVRLXRVJK-WYMPLXKRSA-N 628.413 6.376 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccc(I)cc1 409266915 LRQNEUGRJXTELI-NHDPSOOVSA-N 773.197 6.978 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409273247 JJVCNOWDUCJCTL-DHRITJCHSA-N 531.977 6.170 5 40 KKBB COc1cc2c(cc1OC)[C@@H](COc1ccccc1OC)N(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC2 3006424 SENZXZINYNRLOS-OAQYLSRUSA-N 512.946 5.093 5 40 KKBB O=c1n(Cc2ccc(Cl)cc2Cl)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n1Cc1ccc(Cl)cc1Cl 4016279 CILXFBGKBXKZGD-UHFFFAOYSA-N 542.162 6.330 5 40 KKBB CCCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 21595986 WUCWERKIISSBRF-JLHYYAGUSA-N 522.989 5.609 5 40 KKBB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 22830307 BEGODEGBUJGDRE-UHFFFAOYSA-N 506.540 5.164 5 40 KKBB Cc1ccc(S(=O)(=O)N2C/C(=C\c3ccc(-c4ccc(Br)cc4)o3)c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 100202955 OWHWVXIYSBYUIV-LDADJPATSA-N 596.415 6.583 5 40 KKBB O=C1S/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 100365022 UWDIPESCEDAWIM-BHGWPJFGSA-N 538.412 7.141 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 100405022 XXGHJIIQHOVEEM-UHFFFAOYSA-N 568.586 5.246 5 40 KKBB O=C(O)[C@H]1[C@@]23c4c5cc6cc7cc8c9c%10c%11c%12c(c4c6c%12c79)[C@H]4c6c-%11c7c-%10c(cc9c7c7c(cc(c(c67)[C@]412)C[C@@H]3C=5)C9)C8 103556153 ZADJNWVKEGRDBR-BXCNRWPPSA-N 540.577 7.285 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)c5ccccc5)CC4)c(Cl)c3)cc2[N+](=O)[O-])CC1 105302524 XEDLMOLCBMBXPS-UHFFFAOYSA-N 562.070 5.699 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)c1 111468545 INCUKWABIAUHIJ-DDIUQFJASA-N 620.687 5.668 5 40 KKBB COc1cccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c1OC 150482647 WFTNFDPJYZLPNO-LAUBZIAYSA-N 652.685 5.446 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222875588 WKZCURRSMSFULR-AREMUKBSSA-N 661.177 5.101 5 40 KKBB CC(C)CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224388977 JXKYMIBQNIXLAC-MRXNPFEDSA-N 512.459 5.324 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224460402 XPJWDRZUNBDDKJ-AREMUKBSSA-N 598.563 6.145 5 40 KKBB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)C(C)(C)C 225111152 QLPYISKVCGFBSQ-SVBPBHIXSA-N 570.675 5.951 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225253219 XURSGYWDPFDXOM-LJAQVGFWSA-N 661.608 6.353 5 40 KKBB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 247340164 SBACVMWRUYNGQB-GGVMLGSCSA-N 585.572 5.305 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 408574011 UJYIUAJOSBZTDT-DEOSSOPVSA-N 512.994 6.366 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCCCCC2)C(=O)O)n[nH]1 408630707 CDSFOCBNBOOOKO-FYJGNVAPSA-N 530.006 5.640 5 40 KKBB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)Nc4nnc(-c5ccc([N+](=O)[O-])cc5)o4)cc3)sc2c1 408710474 NHPMRJZUZVOWOT-UHFFFAOYSA-N 533.953 6.326 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735595 UWBVRZTYFWTHGV-SJXDCSIJSA-N 631.707 5.381 5 40 KKBB Cc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1C 408736735 GPNSKACXRSUXLF-MUUNZHRXSA-N 507.590 5.710 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 408770217 UVEMLTDFKKOKNG-CBYYHRJHSA-N 670.563 5.118 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408844993 XLTLDVQWHBHPJP-ISZRBDKASA-N 618.715 6.474 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408882585 RJTOGELZNJNMKN-UUYOSTAYSA-N 634.302 6.944 5 40 KKBB CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 408920526 JRGXTQOGUHTCNC-IMUCPKNRSA-N 659.786 5.795 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)cc2s1)Nc1ccc(F)c([N+](=O)[O-])c1 408979354 BXEFEFUKIHOGAQ-UHFFFAOYSA-N 824.096 7.925 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 409049501 RCQZIUARDXTZIN-PYCBVSLESA-N 613.692 5.073 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409171316 ZVNOGROZJQSOGF-KEBDBYFISA-N 540.941 5.119 5 40 KKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cc(C)c(C)cc1Br 16267940 BQJFCSADHFYDHX-VURMDHGXSA-N 516.348 5.467 5 40 KKBB O=C(O)c1cc(NC(=O)c2cc(Sc3ccccc3[N+](=O)[O-])c3ccccc3c2O)cc(C(=O)O)c1 16525381 LJNZTNAJQOXXLY-UHFFFAOYSA-N 504.476 5.254 5 40 KKBB COc1cc2nc(SCc3cccc(Cl)c3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 20216189 TVHAOVLMGUIWNX-UHFFFAOYSA-N 507.959 5.816 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccc4ccccc4c3)cc12 33353752 PWOWAAFGOZTDBJ-UHFFFAOYSA-N 528.542 6.041 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Br)cc3)CCC[C@@H]2[C@@H]1c1ccc(Br)cc1 97971199 ZOESZJOOIKSZAE-MCIGQYRZSA-N 680.397 7.393 5 40 KKBB C[C@H]1C[C@H](N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1Cl 100131355 NHSJVHMTUNJUEZ-JMQGSBJISA-N 605.434 7.637 5 40 KKBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c2)N3)C1 102156469 BOJWIJXYDNXOAA-QFIPXVFZSA-N 569.552 5.309 5 40 KKBB O=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 103133471 DSOGBXRSFPZMSQ-UHFFFAOYSA-N 520.920 6.396 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(F)cc1)[C@@]21C(=O)Nc2ccccc21 103557905 DPAPWPGRWVQXGD-IANDGLOUSA-N 573.580 5.980 5 40 KKBB CN1CCN(c2ccc(C(=O)N3N=C4/C(=C/c5ccc(F)cc5)CCC[C@@H]4[C@@H]3c3ccc(F)cc3)cc2[N+](=O)[O-])CC1 104051052 KNKXBQHWWCJXGZ-SMKNWGRASA-N 571.628 6.062 5 40 KKBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)CC2)cc1 105354117 ZBFUWCUWWBRYHD-UHFFFAOYSA-N 526.549 5.078 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 150463911 ARVLMJFWOQLHEJ-NHDPSOOVSA-N 649.273 6.844 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 163734280 GQFLWUQCWWQAAW-PEPUGYCWSA-N 714.594 6.210 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1cccc2ccccc12 214835247 ZVXGSEHPEOXDAD-AFUMVMLFSA-N 550.514 7.796 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223203489 ROGCODWDFWEODI-JGCGQSQUSA-N 693.222 5.845 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224191235 BLHVWWIJXUFUAY-QHCPKHFHSA-N 645.178 5.258 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224295975 JPKCFOUOSJPTTD-HKBQPEDESA-N 663.196 5.998 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224685790 CKNJUIDGETZDDP-SANMLTNESA-N 679.623 5.994 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224833642 SJUQFAKPAUJFEZ-XIFFEERXSA-N 707.249 6.234 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225250233 PUKMRKAFGHXWPN-HOTGVXAUSA-N 512.459 5.467 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225374234 VRHSGVGQQMCWDD-UMSFTDKQSA-N 672.779 6.018 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225616735 ZUJIWLJOMUOTPN-YTTGMZPUSA-N 697.641 6.653 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261007143 RKHPYILVGHTNRM-UUWRZZSWSA-N 702.830 5.671 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 408569601 JUGXEPCEPUMMIE-VWLOTQADSA-N 525.030 6.235 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408640110 HHUOWWSLIUGAMM-ODEJJYLTSA-N 778.643 7.727 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1 408642261 MNNIMUPDMAYRLN-XNGOEPGBSA-N 762.169 6.094 5 40 KKBB Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC1=O 408655262 RKPBQIZBQUKEFL-SFHVURJKSA-N 508.914 5.128 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)c(C)c2)CC1=O 408672038 UWYOZCDNFQTXRF-XPLRSFQESA-N 643.652 5.267 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408770626 ZRKKOGBHVRLXDL-UUGOHJJBSA-N 717.598 5.489 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408824408 QAXGPPVDRJJTNQ-SUAMDDGLSA-N 693.532 5.265 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408825723 FRGNQCIDWBEOOX-GJFKPFFXSA-N 644.027 5.481 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409165669 ANWOOLIBMLMBJL-WSDLNYQXSA-N 564.532 5.287 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(Cl)cc3)C2=O)o1 409403004 YCUNCYMVAFFSRD-NVMNQCDNSA-N 590.770 5.062 5 40 KKBB O=C(CSc1nnc(COc2cccc3cccnc23)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 6474817 KJHLQEOMZIBRRH-UHFFFAOYSA-N 512.551 5.034 5 40 KKBB COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@H](C)C34CC5CC(CC(C5)C3)C4)c2)CC1 9971821 PEHALSKKPRKTFQ-ODAWRTACSA-N 518.658 5.583 5 40 KKBB O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@]3(S2)c2ccccc2C(C2=CC=C(Cl)CC2)=NN3c2ccccc2)cc1 59090065 AGCBFZOEDIODJW-XIFFEERXSA-N 590.108 8.388 5 40 KKBB CC1=CC(C)(C)N(Sc2ccccc2[N+](=O)[O-])c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 97984419 CIDAUNZNXQEWIQ-UHFFFAOYSA-N 568.742 9.687 5 40 KKBB CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 101670621 NYRYWQSYAOLPJN-FUDKSRODSA-N 588.798 5.166 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccco1)[C@@]21C(=O)Nc2ccccc21 103555995 IIGHFBBSFNYSHR-PJGOFDOSSA-N 545.551 5.434 5 40 KKBB O=[N+]([O-])c1ccc(NCCNCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)c(Cl)c1 105250899 DPDMEJSYDRBIRH-UHFFFAOYSA-N 530.839 7.489 5 40 KKBB O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 105303515 RTIOJRHORORUIG-UHFFFAOYSA-N 529.759 6.681 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 214419639 QMQMUVLGOZSXIK-FOKLQQMPSA-N 638.323 7.878 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225302980 VLGFCHBHKFLJSB-UUWRZZSWSA-N 721.276 6.625 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc2ccccc12 225712303 HONBESXZGOZXLZ-XZWHSSHBSA-N 563.639 6.404 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 247293208 BPUCYKFKHMPCOM-ALBQUZEBSA-N 531.524 5.044 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)cc1C 408566284 FFOPKAOIBDXHIV-VWLOTQADSA-N 553.482 6.644 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccccc1F 408567067 GGKOPYWAQLENCD-DEOSSOPVSA-N 543.020 6.456 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1Cl 408568742 INGPGVCGJHXIPE-RUZDIDTESA-N 633.952 7.088 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 408571368 ONBZJABRSUHIAJ-XMMPIXPASA-N 545.448 6.580 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 408573978 UIGURBDENOEBMH-SANMLTNESA-N 597.535 7.043 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 408576683 YBCBIGYWVSJKRW-VWLOTQADSA-N 601.498 6.874 5 40 KKBB CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1OCC 408577212 YSWKILGVFKGZBP-NRFANRHFSA-N 537.436 5.254 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408616738 BLNMSNBTDGBBDJ-UHFFFAOYSA-N 549.992 5.313 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]23)cc1 408728429 MGPWKQQZPFUMRN-IEROYTCOSA-N 676.725 7.109 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccccc1OCC 408738795 OWJFBBHPMCXVRP-RISWYLRJSA-N 638.496 5.128 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408838088 RHKHIKXBWABVSB-WGJPBTIMSA-N 637.714 6.217 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408843698 RUFDAYAZLAMCCX-DKOMQPSQSA-N 757.368 6.897 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c(=O)n32)cc1 408854639 AMNLVUDQAIVKAC-ISZRBDKASA-N 677.695 5.881 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(Br)cc1 408916267 ARGQKWHDKZNWFZ-ZVHZXABRSA-N 569.433 6.572 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917166 OCVPZENEMJTBCP-AFUMVMLFSA-N 565.434 7.870 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408979830 CZEXRRYKHWDDRM-MVQVQHCTSA-N 663.333 6.036 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408984903 NGYGKSGQKANWSM-UBXIJNLVSA-N 700.773 5.864 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(Cl)cc1 409154052 NNROYHCXNMJBAA-CFRMEGHHSA-N 546.992 5.926 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409273699 LIEOFLMTBHHUPS-WYMPLXKRSA-N 578.559 5.596 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409339711 KZUGYUJTJKIWAU-CVKSISIWSA-N 561.616 5.981 5 40 KKBB CCn1c2ccccc2c2cc([P@](=Nc3cc([N+](=O)[O-])ccc3C)(N3CCCC3)C(C)(C)C)ccc21 12524701 YCARKFGAFUHJAO-BHVANESWSA-N 502.599 7.999 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(C=CC(c3ccc(Br)cc3)=NN2c2ccccc2)S1 97951120 VFRGDNPQURWOIZ-RUZDIDTESA-N 548.422 5.948 5 40 KKBB COc1ccc(C(=O)Nc2cc3c(cc2[P@@](=O)(Nc2ccccc2[N+](=O)[O-])N2CCOCC2)C(C)(C)[C@H](C)N3C)cc1OC 97984784 ZRBSCHOKDSRFGB-SYRFBUMGSA-N 623.647 5.243 5 40 KKBB Cn1c(=O)c2cc(Cl)c3c4c(Cl)cc5c(=O)n(C)c(=O)c6cc(Cl)c(c7c(Cl)cc(c1=O)c2c37)c4c56 100034447 PQGOXPDIJYEGLE-UHFFFAOYSA-N 556.188 5.651 5 40 KKBB Cc1cccc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc([N+](=O)[O-])cc2Cl)c1 101050539 AUNZNOJLGKCCIF-BJMVGYQFSA-N 543.748 6.031 5 40 KKBB Cc1cc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1Br 103091086 XOTJFILZGUPSJJ-UHFFFAOYSA-N 573.252 5.807 5 40 KKBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2ccc(Cl)cc2Cl)o1 104120819 BGIPJSQYDMGUBS-UHFFFAOYSA-N 515.172 6.051 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)N1CCCC1 205871816 DPXWAKQLYMIFLE-YBFXNURJSA-N 521.473 5.065 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222702953 BIUFZZMRWJFQNJ-GDLZYMKVSA-N 655.560 5.483 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 225258765 TXHCZIKLIVDPOB-IZZNHLLZSA-N 564.023 5.665 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225262043 IHJPGIJZEOOKOK-HKBQPEDESA-N 620.772 5.067 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408564418 CTDOVUNHQADOIB-NUWWLQTNSA-N 633.326 6.398 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 408570904 MGOYSLSFHYYKCO-VWLOTQADSA-N 603.926 7.079 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 408573627 TYURWUGQACXBRV-XMMPIXPASA-N 600.451 5.944 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408652996 PKNDISXQIGARQA-YASBFDIKSA-N 756.565 6.709 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)c2)CC1=O 408662020 MJWNOUKZNKRYRO-LLVKDONJSA-N 639.231 5.976 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 408754371 JYTHOQAORQBFJF-OINPTKSXSA-N 642.089 5.766 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)c1 408770250 VFYHEIPRFRFDNO-OKMHPQNISA-N 772.590 6.262 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409048521 PAGOJOYIWHCUQV-SELCLYCASA-N 678.163 5.735 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409087155 GORJVNMRNDLGFZ-UNDLXJOSSA-N 644.775 5.180 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409096285 DCVXIRREWCTYNF-BMZLMQSUSA-N 696.811 5.129 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409099981 SKUJPEQOLFQJPX-SRZZPIQSSA-N 619.799 5.928 5 40 KKBB CCOc1cc(CNc2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409109856 MUVQHFGGHCJCGE-UHFFFAOYSA-N 518.351 6.098 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409154979 PPGKOISYYDWITH-ZVHZXABRSA-N 533.562 5.166 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409168269 PLWLEFKUBAWBAM-UHFFFAOYSA-N 582.860 5.470 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409190546 ZGJZPUNMIGUDPM-KAEGSSFASA-N 758.644 7.164 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409251824 WMOCWASMUZMHNR-WOJGMQOQSA-N 554.362 5.233 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409270512 QGPGOTRAPPQONZ-QRVIBDJDSA-N 519.491 5.001 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409273772 SJVCGHUTWHYLLS-SSDVNMTOSA-N 564.938 6.042 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 1307714 YAVFPELZYVJJBL-LADGPHEKSA-N 553.497 6.578 5 40 KKBB O=C(Oc1ccc2c(=O)c(-c3cccc4ccccc34)c(C(F)(F)F)oc2c1)c1cc([N+](=O)[O-])ccc1Cl 1770088 UNBXZLJKVPDUJZ-UHFFFAOYSA-N 539.849 7.413 5 40 KKBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(Br)c(C)c2)nc2cc([N+](=O)[O-])ccc21 6016914 RWIJAFPEYWEBJC-UHFFFAOYSA-N 527.400 5.744 5 40 KKBB Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1 8816321 DUPMRUDRSQREKR-JZNYMIQASA-N 502.659 5.882 5 40 KKBB COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c(C[C@H](C)OC(=O)c6ccccc6)c(c(c1C[C@H](C)OC(=O)Oc1ccc(O)cc1)c23)c54 85481770 LSUTUUOITDQYNO-SFTDATJTSA-N 790.774 6.981 5 40 KKBB in-vitro Cc1cc([N+](=O)[O-])nn1[C@@H](C)c1nc2c3sc4nc(C(F)(F)F)cc(-c5ccco5)c4c3ncn2n1 98046263 KYOKUGUZAUCTOR-JTQLQIEISA-N 514.449 5.188 5 40 KKBB CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 100159382 QSDRKYOLHUVAOW-UHFFFAOYSA-N 540.963 7.188 5 40 KKBB O=C(O)c1ccc(SC2=NN=C(COc3ccc(C4CCCCC4)cc3)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 100288351 YVUGBEAEZOIPNK-MHZLTWQESA-N 529.618 7.064 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 100319786 RQTXRZFZSIDXKC-QTTRZTASSA-N 606.125 5.820 5 40 KKBB Cc1ccccc1C(=O)CN1C(=O)[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)N=C(c2ccccc2)c2ccccc21 100947357 BMDQASUGDTWQGO-LJAQVGFWSA-N 582.016 5.771 5 40 KKBB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2c(Br)cc([N+](=O)[O-])cc2Br)c1C 102407288 YENWNRAARLTSFD-UHFFFAOYSA-N 551.191 5.334 5 40 KKBB COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N23)c1 103550170 WPRUOCSKEYLTNL-YQQRZDPSSA-N 571.589 5.460 5 40 KKBB O=C(Oc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1)c1cccc([N+](=O)[O-])c1 104660138 CAODOCSGSQHGIP-ASUJOLEISA-N 585.641 5.446 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c2=O)=N1 104676781 FTSFCWGYBRSBDK-RWTNITNYSA-N 614.518 5.078 5 40 KKBB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 105306345 PESPRYXCKIZIBN-UHFFFAOYSA-N 566.039 5.582 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)C1=O)Nc1ccccc1 106710111 FEMJNLYWZKWTNT-OYKKKHCWSA-N 512.547 5.273 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 106725473 GQMUVRZYPHDCGB-NDENLUEZSA-N 542.367 5.790 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)N1CCCCC1 205798760 JFHANFBDASEUGT-UDWIEESQSA-N 535.500 5.455 5 40 KKBB Cc1oc2cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OCc4ccccc4)CC3)ccc2c(=O)c1-c1ccc([N+](=O)[O-])cc1 217975352 FUSAIACDDFQJTJ-PEPAQOBHSA-N 570.598 6.315 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223248461 CIEQEBKJZQVRFX-SANMLTNESA-N 659.205 5.791 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223398099 PBSKLVJRVGEZFR-OAQYLSRUSA-N 665.596 5.748 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223804822 VBLGXARDDMYJRL-MUUNZHRXSA-N 645.178 5.484 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)c1 224516826 UGSGRXRNBRBPIP-XZOQPEGZSA-N 521.396 6.189 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408644478 RLWHRXHRPQBFHM-UDZKVIAYSA-N 660.466 5.414 5 40 KKBB O=C(Nc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Nc4ccc(Br)cc4)c3cc12 408720476 QTFKJIOAHXRXBG-UHFFFAOYSA-N 728.444 10.147 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 408726423 BLBJIZCTYWCUEX-HOSOATPESA-N 632.672 6.792 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)c1 408767910 HCYRKIQGNMAATC-VSQRRKBNSA-N 662.724 5.378 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408770498 YEWKDLDWOOCTQI-FCVOFCDTSA-N 694.560 5.065 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl 408839010 LOCDASUTYIPAJM-GIJQJNRQSA-N 718.390 9.056 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 409000911 YZOBNJDZMFDGRZ-XNENXQGPSA-N 663.777 6.145 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3c4ccccc4cc4ccccc34)c2=O)=N1 409036501 LJPBBSRPEJSGED-OGMUYLFESA-N 641.587 6.656 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409049993 RWIQWRJIEIUBEY-QEEORQGDSA-N 784.613 5.138 5 40 KKBB O=C1S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1CCCc1ccccc1 409127897 DDLPLRUMIKXARZ-HZHRSRAPSA-N 726.330 7.052 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409144711 PMJLNFAGFRJMBA-DJPQNNMESA-N 709.806 5.419 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 409156737 OHMUFVMDKYGRRP-RGVLZGJSSA-N 511.943 5.800 5 40 KKBB O=C(COC(=O)c1ccc(COc2ccc(Br)cc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409178086 DXRQTCLRDPSERD-UHFFFAOYSA-N 562.372 6.768 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc5ccccc45)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409178443 IFSMDAPKVQBNKV-XDYZZPCYSA-N 728.621 6.518 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O 409194530 ORZLWHDYKUQGMQ-NNLIIISGSA-N 509.301 5.865 5 40 KKBB Cc1cc(C)c(-c2c(C)cc(C)c(C(=O)c3ccc([N+](=O)[O-])cc3)c2C)c(C)c1C(=O)c1ccc([N+](=O)[O-])cc1 1610615 OQSKAGDKMTVNQI-UHFFFAOYSA-N 536.584 7.483 5 40 KKBB NC(=O)C1CCN(C(=O)c2ccc3c(c2)nc(SCC(=O)c2ccc(Cl)cc2)n2c4ccccc4nc32)CC1 2970299 GJLQWZAKQHFZSN-UHFFFAOYSA-N 558.063 5.002 5 40 KKBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 3143024 GJFKAJIVGVHZRK-UHFFFAOYSA-N 540.513 5.707 5 40 KKBB CC(C)Cc1nc2sc3c(ncn4c(SCC(=O)c5ccc(Cl)cc5)nnc34)c2c2c1CCCC2 9271727 MRUGFVNTYVPEOT-UHFFFAOYSA-N 522.099 6.593 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 38204003 HXVRMIWYMBDCEM-PWHHTFBLSA-N 522.605 5.868 5 40 KKBB Cc1cccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccn2)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 97952406 BUEXHOKTKWJLCA-NDEPHWFRSA-N 540.587 6.588 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccccc1 100649082 AJHYNYZFVDQWFL-JQTKYWOZSA-N 612.063 5.757 5 40 KKBB O=C(c1ccc(Br)cc1)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccc(Cl)cc3N21 101064429 PVQXMHMJFXHCEH-MSNJVRRCSA-N 578.806 5.283 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1F 101156960 NSKVQDNPYBRCIR-NJYVYQBISA-N 502.285 5.092 5 40 KKBB Cc1nn(-c2ccc(Cl)cc2)c(O)c1[C@H](c1cccc([N+](=O)[O-])c1)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O 101621094 LWJCBELZWCNVHJ-RUZDIDTESA-N 550.402 6.069 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 102370332 OSKNEXCNOWJMKO-RFMPLWHVSA-N 599.643 6.364 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223224481 QFDUYTQOERNWDD-FGZHOGPDSA-N 675.602 5.202 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223564787 COKNJDCZMQWDQX-VWLOTQADSA-N 714.068 6.789 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3Cc3cccnc3)cc2)cc1 224767502 ZDROJWUGFQZLJY-WDYNHAJCSA-N 564.696 6.563 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225417908 LVGJPZUKGKJECY-NDEPHWFRSA-N 578.507 5.989 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1 254744196 TYZTVRJMCYQKFN-JNVJCCBPSA-N 546.454 7.984 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 261120938 ZFUAWEGVSBYROJ-PIKZIKFNSA-N 649.597 5.531 5 40 KKBB CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC 408567551 GVLCAIJIOPDSDK-IBGZPJMESA-N 527.828 5.509 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H]3[C@H](C)N[C@@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Cl)cc1 408569413 WQKIERZRQVVRAE-OQLYEKFSSA-N 512.393 5.449 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc2ccccc12 408604851 FNANCFYZVIECFS-UHFFFAOYSA-N 554.384 6.942 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408826545 JTPFFTFOHMTJJQ-DQARITGZSA-N 747.451 6.754 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408853531 PDWBAHUCPGDKFB-DDBFQISPSA-N 606.660 5.441 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc([C@@H]4N[C@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl 408987065 ACMRGSRNTXWXKP-HTAPYJJXSA-N 573.077 6.050 5 40 KKBB Cc1cccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)c1 408994865 HJOFMCHCQTYBNN-UHFFFAOYSA-N 530.378 6.980 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408995815 NMWYGOCCAIUKRF-QFDNUGPTSA-N 695.535 5.277 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 409099265 KQNITWJPLUDFOF-WGOQTCKBSA-N 577.615 5.646 5 40 KKBB COc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 409195694 VKNHXJOSPGMUOJ-CWETZPOXSA-N 549.333 5.329 5 40 KKBB O=C1S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1 409275010 HCWLTIJHSOIFSG-JAIQZWGSSA-N 520.872 7.300 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1 409384494 CRUTZSUWFDPMQE-SRZZPIQSSA-N 573.377 5.552 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12 720947 VUAHPQYSHJBONI-UHFFFAOYSA-N 549.465 6.450 5 40 KKBB COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)nn32)cc1 2249758 RWSWYQPGBLNYNC-KZYUXAMMSA-N 528.956 5.556 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 2447767 BPUCYKFKHMPCOM-BYBRNZAOSA-N 531.524 5.044 5 40 KKBB CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)[C@@H]1c1ccccc1 8680025 OWZAHLFMWUAULW-SQJMNOBHSA-N 535.354 5.201 5 40 KKBB Cc1cc(OCc2ccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)o2)ccc1Cl 13644165 KRSOONKIQPQLRY-UHFFFAOYSA-N 511.941 6.934 5 40 KKBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 59888424 XYCPGNFHWPRRKH-UHFFFAOYSA-N 615.089 5.191 5 40 KKBB Cc1cc(Cl)ccc1OCCNC(=O)c1cc(C(=O)NCCOc2ccc(Cl)cc2C)cc([N+](=O)[O-])c1 100288886 BVWRNBJSHVTWDF-UHFFFAOYSA-N 546.407 5.136 5 40 KKBB Cc1ccccc1Oc1cc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2cnc(Cl)n2)(C4)C3)cc([N+](=O)[O-])c1 100549462 WLOLHRGDABZGEN-LEVZQSSMSA-N 507.978 5.875 5 40 KKBB O=[N+]([O-])c1ccc(C2=CSC3=NC4=C(CCC/C4=C/c4ccc(OC(F)F)cc4)[C@H](c4ccc(OC(F)F)cc4)N23)cc1 102451778 AGKBGYGLVIJTDB-KEXLPUOWSA-N 609.601 8.777 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(Br)cc3)N3c4cc(Cl)ccc4C=C[C@@H]3[C@@H]2C1=O 103988276 LZDUQVIBVQDPDJ-MNVNNWCQSA-N 608.832 5.292 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 104085303 IVJVUJXDUVPHDT-UHFFFAOYSA-N 536.544 5.816 5 40 KKBB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)cc1 104085781 LCALGAWFJQCCLK-FOWTUZBSSA-N 607.088 5.979 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 215111668 NDHFKLWYEQMPGM-AUEPDCJTSA-N 596.942 7.834 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223806436 ASCIPKBRDNSZCJ-NLGDKJDOSA-N 707.647 6.107 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224962663 OVXVNNHTHANRQJ-HKBQPEDESA-N 632.714 5.094 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225447991 UNEUDFWYOZGYFJ-BHVANESWSA-N 777.738 6.959 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225510355 QQUSZZJMDOJMIA-SSEXGKCCSA-N 665.168 5.147 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225561504 VBSMHXGMLCTPFL-HKBQPEDESA-N 679.195 5.455 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc(F)c1 408567164 GQHDWYWTCUVRNW-XMMPIXPASA-N 587.471 6.483 5 40 KKBB CCn1c(S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408631457 DXLSVZQRAKWXLS-DICXZTSXSA-N 585.642 6.111 5 40 KKBB O=C(O)/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408634100 PAKUNTCCUPUKSM-ZDLGFXPLSA-N 503.323 6.165 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)O)o2)c1 408634217 SFZOJTBGHKQROD-JAIQZWGSSA-N 574.365 5.902 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408641637 KSQDUEGGPJZQHS-UDZKVIAYSA-N 598.011 5.334 5 40 KKBB CC(C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408659228 OXGMZSAKDLBBOR-QOUIRAMZSA-N 564.425 5.151 5 40 KKBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)c1 408678784 DAMXFWBCUSKNOY-UOIPHLHCSA-N 682.127 5.290 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408680414 GETASGZFGPLNHH-HCXPYDJZSA-N 563.997 5.698 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 408786651 LONQTWFDPXQRON-STOXBUQISA-N 645.737 6.213 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 408828280 JIYYNZICAUGOSF-WOSHRIRTSA-N 636.686 5.449 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408831479 PMKFFXCEDZSUMA-FQKMCRJQSA-N 638.529 5.901 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408852965 ORXXNKGHWDRONA-SJXDCSIJSA-N 692.588 5.835 5 40 KKBB CCOc1cc(OCC)c(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Br 408917283 QJENYBQDYQAUMZ-VXLYETTFSA-N 507.362 5.391 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC 408933264 ADKYDILRFRMZKA-UONGPDOGSA-N 820.456 5.670 5 40 KKBB O=C(N=c1nc[nH]c2oc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)c12)c1ccccc1[N+](=O)[O-] 408977362 VPTPLMFDCXGHGB-UHFFFAOYSA-N 512.525 6.806 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)cc2s1)Nc1ccccc1[N+](=O)[O-] 408986898 PVPBCVMXXTZFKU-UHFFFAOYSA-N 806.106 7.786 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(OC(C)=O)c([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 409044893 FBRPSUCMXZBNSS-USVCQMFLSA-N 720.734 6.726 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1/N=C(c2ccco2)OC1=O 409194616 PSWJUSHYXPKCJS-VBLHKXDKSA-N 588.164 5.676 5 40 KKBB O=C(O)c1cccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(C45CC6CC(CC(C6)C4)C5)cc2)C3=O)c1 409336309 NIJNLXDUZJYKDC-UHFFFAOYSA-N 572.617 7.382 5 40 KKBB CCOC(=O)C1=C(C)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@H]1c1cccc(Br)c1 409337401 TWMOMEYSQFDXEZ-FQEVSTJZSA-N 500.374 5.653 5 40 KKBB Nc1c2cccc3c4c(N)cc5ccc6c(N)c7cc8cc9c(N)c%10cccc%11c%12c(N)cc%13ccc%14c(N)c%15cc%16cc1c1c(c23)c2c4c5c6c3c7c4c8c5c9c(c%10%11)c6c%12c%13c%14c7c%15c8c%16c1c(c32)c4c8c5c76 2382215882 VYIOXTOFCKXBPJ-UHFFFAOYSA-N 929.014 17.270 5 40 KKBB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Oc2ccc3c(=O)c(-c4ccc([N+](=O)[O-])cc4)coc3c2)cc1 1859084 DUNBENAMVLCURP-MUUNZHRXSA-N 584.606 5.172 5 40 KKBB O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8899384 AGCRYOMEZLIZDV-UHFFFAOYSA-N 513.337 5.799 5 40 KKBB O=C1S/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 9232581 DVOOWSBNWFBPEN-WSDLNYQXSA-N 515.374 6.717 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59211793 YXIIXJCCDBSEQP-UHFFFAOYSA-N 562.070 5.382 5 40 KKBB CCN(CC)C(=O)c1ccc(-c2nnc(Nc3ccc4c(c3)nc3c5ccccc5c(-c5ccc(C)cc5)nn43)c3ccccc23)cc1 97966901 FPECKQSXXIPFQX-UHFFFAOYSA-N 627.752 8.847 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6cccc(Cl)c6)o5)nc34)c12 98046175 BHLNIQWSBMXUTD-UHFFFAOYSA-N 515.904 6.707 5 40 KKBB COC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(C=CC(c3ccc(Br)cc3)=NN2c2ccccc2)S1 102894740 FTJQODQHJADSND-VWLOTQADSA-N 564.421 5.532 5 40 KKBB O=C(NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)c1cc(-c2ccccc2)nc2ccccc12 103021756 WSPMPNSOWZVHGO-PCLIKHOPSA-N 524.558 5.276 5 40 KKBB O=c1/c(=C\c2cccc(OCc3cccc4ccccc34)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 103790901 WPAVBSQXYHMQJB-NGPGRIRTSA-N 621.718 6.959 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n31)c1ccccc1CC2 104655664 WKDJRGUTKKHTKG-FVUNBJOLSA-N 589.673 6.112 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 150389576 LTTFECJBPGJBQB-LRAMOIDDSA-N 668.522 5.055 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 150492577 OYNDZYVLFLHDJA-CWPZDHDOSA-N 656.072 5.486 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)o1 224943519 KIRKITRXSUQRIP-JWQCQUIFSA-N 565.449 6.506 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)o1 225466998 ZHNNMLAIEIWKOU-UIOOFZCWSA-N 579.660 5.115 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccccc1F 408567068 GGKOPYWAQLENCD-XMMPIXPASA-N 543.020 6.456 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408581297 WBJMKTBKXFNIGE-UHFFFAOYSA-N 558.827 5.706 5 40 KKBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408679339 DUCBQLMEJHPPOO-HZCFWTAGSA-N 682.127 5.290 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)cc1 409048399 WJKUBKLXGRIKOH-SELCLYCASA-N 643.718 5.081 5 40 KKBB O=C1N/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1C1CCCCC1 409076401 AXTUBUYQJWTRIM-MOSHPQCFSA-N 500.349 5.162 5 40 KKBB O=C(CN1C(=O)c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409180171 PUXVFRFXEUHGDO-MPQUPPDSSA-N 727.638 6.047 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(SC)cc1 409188704 KGVWDSBIULOMAC-GSFJQCGGSA-N 795.368 7.649 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409223495 HZTVRKAGLKDVTN-WYMPLXKRSA-N 583.416 5.864 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1Cl 409270086 FQOWEVBJGIFSQT-FSJBWODESA-N 553.980 5.511 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409358901 MMZRUXLVCFFHAM-PLMBTIQCSA-N 627.122 5.671 5 40 KKBB O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2Br)c1 409367604 BLSUMHWYKHOWSO-UHFFFAOYSA-N 526.456 5.430 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 1787092 YALSAMYVVLKJRV-RTWAWAEBSA-N 575.906 7.289 5 40 KKBB COc1ccc(Nc2nc3ccccc3nc2Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1Cl 9267209 WDURCMFZZMOLQX-UHFFFAOYSA-N 501.934 6.181 5 40 KKBB CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4C5CC6CC(C5)CC4C6)c3)CC2)cc1 9971846 AQARQSGEIINIEC-UHFFFAOYSA-N 516.686 6.091 5 40 KKBB O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 14943938 BWFKYJSHYZRKDH-UHFFFAOYSA-N 507.851 7.929 5 40 KKBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 20528419 QKGQQZOCFQFMQF-UHFFFAOYSA-N 510.978 5.455 5 40 KKBB CC1(C)Cc2c(c(=S)n(-c3ccccc3)c3nc(SCC(=O)Nc4ccccc4[N+](=O)[O-])n(-c4ccccc4)c(=N)c23)CO1 102410549 LRLATGADQZVAKL-UHFFFAOYSA-N 624.748 6.515 5 40 KKBB CCCCCOC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1c(C)c(Cc3ccc4c(c3)OCO4)sc12 102939506 DWNDSRYCVSIKAL-UHFFFAOYSA-N 554.628 5.914 5 40 KKBB COc1cccc(N(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2nc3ccccc3s2)c1 103039900 WRPJNJMXGPETPP-UHFFFAOYSA-N 518.580 5.471 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 150395674 ZJCLUAHEKVLYTL-WGJPBTIMSA-N 651.766 6.443 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222895144 IEBOGTFENYZPFI-NDEPHWFRSA-N 649.597 5.388 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223439140 RJGHQBKYJNNTJQ-VCTRWQRLSA-N 642.778 5.653 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224267145 ZMPWUXNRPORPPE-YTTGMZPUSA-N 727.667 6.580 5 40 KKBB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C 224769656 BQGSDVXPNDOXTM-KAYWLYCHSA-N 529.691 6.756 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 224912844 CGSMYSIHJPLJQM-HHHXNRCGSA-N 566.054 5.335 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 224969920 UELUOHAOCFMGFM-RPWUZVMVSA-N 506.971 6.089 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 225228799 BMGPSWADNQLEHX-SVBPBHIXSA-N 559.604 5.020 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 225258943 SPCTWNBBCKLNHA-IZZNHLLZSA-N 564.023 5.665 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)o1 225357464 PDJLOYFDVACVKP-RRPNLBNLSA-N 530.606 6.223 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225645528 PFAIKYVWNCIJSO-DHUJRADRSA-N 702.830 5.672 5 40 KKBB COc1ccc(C[C@@H]2C[N@+](C)(CCC(=O)OCCCCCOC(=O)CC[N@+]3(C)CCc4cc(OC)c(OC)cc4[C@H]3Cc3ccc(OC)c(OC)c3)Cc3cc(OC)c(OC)cc32)cc1OC 252286790 KVURKGMRRKDFPC-CSXHFPBASA-N 929.161 8.066 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 408566572 FPYVHAHEJGUCAP-RUZDIDTESA-N 577.465 7.109 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(Cl)c1)[C@@H]1CCCN12 408568356 TYULBJYLDBUPFK-UQBYDPJISA-N 524.404 5.627 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3Cl)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 408637548 AHLFQHMWGYGNJP-UHFFFAOYSA-N 668.467 5.514 5 40 KKBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408685549 QZWUTZPLJDDACV-BYVQZYKMSA-N 587.588 5.095 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408736141 HVVXHZAJKGEFRW-VPHSIRQSSA-N 628.663 5.530 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc(Cl)c([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1 408769034 LFEMISGHIMATRS-IIMDPYCFSA-N 630.509 6.802 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408800922 QEUFECCYBAKFPX-NFYDWNOTSA-N 825.394 5.634 5 40 KKBB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 408802485 FKSUTNOFGLDTGS-UZKHMLDHSA-N 567.485 7.671 5 40 KKBB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408839550 UHYZXAKKAZCRQL-WOJGMQOQSA-N 539.352 6.680 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1 408927988 ZFPVTXGUONZJFH-SUAMDDGLSA-N 589.695 5.385 5 40 KKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCC(=O)n3c4c(c5c3CCCC5)CCCC4)sc2c1 408984783 MUEWKEUORPCAHN-UHFFFAOYSA-N 572.668 5.997 5 40 KKBB CC[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409019386 IULNCJYNXAZQEV-MDBUFAAASA-N 568.389 5.622 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409043204 YEDHOIFRCXDGTC-FQKMCRJQSA-N 664.534 5.057 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409072594 CTNNZCIJEQHRFS-WSDLNYQXSA-N 570.371 5.567 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409240695 PKMBCXKHTZPCGP-WSDLNYQXSA-N 552.381 5.428 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409273032 PEIRDUOTAJWJJU-ZMOGYAJESA-N 549.517 5.010 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409387708 PNFNUDHXNVGKEW-YSMPRRRNSA-N 608.072 5.847 5 40 KKBB Nc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c12)C[C@@H](c1ccccc1)S[C@H]3c1ccccc1 1865637 JUNFLXCNDTUBEI-UPVQGACJSA-N 542.711 7.594 5 40 KKBB Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)c3ccccc3n2)o1 3310889 FXCCXZGVEBAANW-HHHXNRCGSA-N 541.947 6.902 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccccc1 15979134 DDYOAVASRJBZRB-QHCPKHFHSA-N 513.377 6.637 5 40 KKBB CC1=CC(C)(C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccc(OC(=O)Cc3ccc([N+](=O)[O-])cc3)cc21 59428111 DINFILSJRBCOMQ-UHFFFAOYSA-N 515.522 5.422 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1Cc1ccccc1 97954384 HKAFWWXDHNSTMU-GSDHBNRESA-N 529.936 5.555 5 40 KKBB CC(C)(C)C(=O)/C=c1\s/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(=O)n1Cc1ccc(F)cc1Cl 97982252 XIHAIZGYKFNWST-KLFBBHJLSA-N 541.000 5.143 5 40 KKBB COC(=O)c1cc(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc([N+](=O)[O-])c1 103049971 BVYWUACYEPAYAC-UHFFFAOYSA-N 573.027 5.078 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(C)cc1)[C@@]21C(=O)Nc2ccccc21 103549891 ZJYJLYAGGWEYIV-IEMSDXTESA-N 569.617 6.149 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6cccc([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1 104656833 SHDYPYGHLUANKK-JLHDDXNDSA-N 561.619 5.496 5 40 KKBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(Cl)cc1Cl 106699344 OSTTWACDHJPQMV-OCKHKDLRSA-N 502.335 6.325 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 223001408 AHWDDWIBKCCXDJ-FQEVSTJZSA-N 665.596 5.746 5 40 KKBB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224484838 JQELONBKJXIBRT-RUZDIDTESA-N 607.516 5.040 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(O)cc3)cc2)cc1 224783008 GPNNUWYPXLFAPR-VMPREFPWSA-N 565.680 6.814 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225259948 FITCCEJZRHZXLG-BHVANESWSA-N 747.314 7.158 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408570060 YHFWUZYGTHIHNX-OCAOGGMISA-N 657.359 6.244 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccc(Cl)cc1 408576105 XHYKNIFCLHRPKD-HSZRJFAPSA-N 525.974 5.826 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 408577452 ZNRSCBRLFZFOAU-AREMUKBSSA-N 613.534 6.743 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(OC(=O)c2ccccc2)cc1 408649841 LPCWWZMVGTVARU-RUZDIDTESA-N 564.550 5.260 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408688299 VWYWTZWHUJGOJS-UHFFFAOYSA-N 584.155 5.970 5 40 KKBB O=c1c2ccc3c(=O)n(-c4ccc(Cl)cc4Cl)c(=O)c4ccc(c(=O)n1-c1ccc(Cl)cc1Cl)c2c34 408729784 CUPBYZFOTMEISY-UHFFFAOYSA-N 556.188 5.658 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(I)c5)c(=O)n42)c2ccccc2CC3)cc1 408756641 ITIXFNSKTJPYEK-FVUNBJOLSA-N 853.476 7.024 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(F)cc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 408838429 WBGGCFZXPUFGCZ-UAMLYEQYSA-N 563.610 5.934 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408941107 PQOVEMGOUFYZQV-PYCBVSLESA-N 613.692 5.073 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1 409157380 VGVGWSZCZZEJKU-BUVRLJJBSA-N 533.562 5.248 5 40 KKBB COc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)cc1 409174723 UJWKVBGJPCEMDY-UHFFFAOYSA-N 524.485 5.553 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1cccc(Cl)c1 409207776 ZTRBCYMERMIGII-GRSHGNNSSA-N 510.915 5.111 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409276072 YDJHAGMKYKMMQO-YUMHPJSZSA-N 524.554 6.246 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 409353287 IOCVZELXHTWCRK-ZDUSSCGKSA-N 537.429 5.043 5 40 KKBB Fc1ccc2nc3ccccc3c(SCCNCCSc3c4ccccc4nc4ccc(F)cc34)c2c1 5487915 JDLSIBNGLJZINF-UHFFFAOYSA-N 527.665 7.842 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4cccc5ccccc45)cs3)CC2)cc1NCCc1ccccc1 98043325 JANIOKYTXOCPIK-UHFFFAOYSA-N 535.673 6.853 5 40 KKBB COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1[N+](=O)[O-] 100297030 YCJVFGAYIFFNJL-UHFFFAOYSA-N 532.965 6.345 5 40 KKBB O=C1S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc(Cl)c(Cl)c1 100343021 ATOOPLFBJDJQOE-WYMPLXKRSA-N 538.412 7.141 5 40 KKBB CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 101670615 NYRYWQSYAOLPJN-GIWBLDEGSA-N 588.798 5.166 5 40 KKBB O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101672460 GYBZXUJTJFNGAH-TVNXZVQQSA-N 610.453 6.883 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 102889850 MGXMYFRTHHVETP-DTXPUJKBSA-N 593.592 5.654 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccccc1[N+](=O)[O-])(N1CCOCC1)N(C)C(c1cccs1)=N2 102940867 UPXACLPKZJGZHD-DIPNUNPCSA-N 547.581 5.495 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 105498967 YXOWROAKVOMYEH-CBYYHRJHSA-N 596.086 5.342 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 106702247 WAIKKUINHRMZIO-OYKKKHCWSA-N 518.547 5.758 5 40 KKBB COc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1 138246030 BAIGDXDXECRXKU-HHHXNRCGSA-N 509.562 5.102 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214402211 VHFXDUIKIDNSBA-LSFURLLWSA-N 576.370 6.847 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccccc1Cl 214980294 FSSKDWNZUGTAIZ-YDZHTSKRSA-N 603.878 7.225 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223646259 ZMOQGIHSNRUBDN-SSEXGKCCSA-N 669.587 5.873 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223848088 LFVMWQSAIZTJAA-NRFANRHFSA-N 677.607 5.890 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223935991 OJPWCFJSOLSINI-NFQMXDRXSA-N 665.596 5.231 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)cc1 224787694 DWXGDFGCVKLTFJ-URLMMPGGSA-N 619.555 8.885 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260907400 JSEOPPQUWDOXMT-GDLZYMKVSA-N 657.189 5.112 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 408567652 QYLMRBRYPSGBRJ-KLPDMWAPSA-N 552.002 5.511 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 408568693 IJCSBGZUWPGBIN-DEOSSOPVSA-N 529.449 6.880 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408568715 ILBJJWBENOASTL-WEODBFKCSA-N 621.315 6.302 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 408569948 KIJHKYLPRUKRHY-XMMPIXPASA-N 579.893 7.234 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1ccccc1 408570958 MMCXJPLYEMFDDU-QHCPKHFHSA-N 594.318 7.334 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408632846 KSDGCJSDYHWJRO-UCQKPKSFSA-N 552.565 5.377 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(F)cc1 408638126 BYKGYORBPNQSSS-UHFFFAOYSA-N 762.962 6.320 5 40 KKBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 408651695 NVRUDHDLCOEDAC-STBOBJEWSA-N 636.444 5.558 5 40 KKBB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408668843 RDVJUVHFSDSUSK-LBPRGKRZSA-N 801.036 6.712 5 40 KKBB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Br)cc1 408693846 FYSSDKQIDCOHFC-UHFFFAOYSA-N 512.751 5.819 5 40 KKBB CC(C)c1ccccc1NC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408751195 XONRURIRNDVRJL-UHFFFAOYSA-N 532.603 5.859 5 40 KKBB CCN(CC)c1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408757937 SMYJYTXFBJLHIM-UHFFFAOYSA-N 514.969 6.792 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408828368 MOPJUTVFFFDLNO-SUAMDDGLSA-N 575.618 5.229 5 40 KKBB Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(-c5nc(O)c6c7c(sc6n5)CCCC7)cc4[N+](=O)[O-])sc3c2)cc1 408990334 KRIYPPLZYGQPMP-UHFFFAOYSA-N 625.757 8.173 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c2=O)=N1 409034989 RPTXFBIPUYFYHS-UQDCTOEPSA-N 666.550 5.826 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409080772 ODHLMSVBMURVMK-PRLWALMFSA-N 680.602 5.937 5 40 KKBB Cc1ccc(-c2csc(NC(=O)CSc3n[nH]c([C@H](NC(=O)c4cccc([N+](=O)[O-])c4)C(C)C)n3)n2)cc1 409163989 AXZWLGBRPRZBEU-OAQYLSRUSA-N 551.654 5.003 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1cccc(Cl)c1 409176265 ZMYDMORYLQSFGJ-UFFVCSGVSA-N 554.924 5.624 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409234209 JAMWRFYIEZIMRT-FSJBWODESA-N 566.408 5.736 5 40 KKBB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Br)c1OCc1ccc([N+](=O)[O-])cc1 409402561 WSOOWERXMRIAIT-ZDLGFXPLSA-N 679.274 5.570 5 40 KKBB O=C(Nc1cc(Oc2cncc(Cl)c2)cc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2070193 PVSBFZAQZVDVNK-UHFFFAOYSA-N 531.355 7.556 5 40 KKBB CCCCN(CCCC)CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 2094759 COAOCXQICIJTEL-BHBYDHKZSA-N 545.684 5.053 5 40 KKBB biogenic Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(Cl)c(Cl)c2)cc1 2250111 FMONTRRTMUPHGO-UHFFFAOYSA-N 500.389 6.256 5 40 KKBB O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(SC(F)F)cc1)Nc1cccc([N+](=O)[O-])c1 3242827 LBVQMKDAIZYZSU-UHFFFAOYSA-N 514.539 5.283 5 40 KKBB C[C@@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3426439 GCAFHMSMIUCLKO-CQSZACIVSA-N 541.054 5.676 5 40 KKBB CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1 19685786 BGSZAXLLHYERSY-FJXPXISUSA-N 557.840 5.966 5 40 KKBB Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccc(C)cc32)cc1 59428188 BXVUBHSJAIYOKE-GDLZYMKVSA-N 519.066 8.215 5 40 KKBB CCn1c2ccccc2c2cc(-n3c4nc5ccccc5nc4c4c(=O)n(CCc5ccccc5)cnc43)ccc21 97951091 KSHYQGJTSLWLAX-UHFFFAOYSA-N 534.623 6.654 5 40 KKBB CC[C@@H]1[C@@H](C)[C@H](Nc2ccc(Br)cc2Br)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 101477449 BWPQAUSWVVHDIL-CHVDNLQBSA-N 573.285 7.348 5 40 KKBB CCOC(=O)c1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccc(I)cc3c2=O)cc1 102460559 UVJFUGBIVLXGDK-LHHJGKSTSA-N 567.339 5.246 5 40 KKBB CNC(=O)c1sc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C 102936603 OQNSSUDHRTWNRK-LMRJGUGTSA-N 532.582 5.429 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3C=Cc4ccc(Cl)cc4N3[C@H](C(=O)c3ccc(Br)cc3)[C@@H]2C1=O 103973896 DENCGNQTUBKZOH-CGBRIMPHSA-N 592.833 5.592 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5ccc(-c6ccccc6)cc5)nc4c3)cc2[N+](=O)[O-])CC1 104098498 OKCZJOWKCDVVBL-UHFFFAOYSA-N 532.600 7.559 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 105303547 IJDUAEISWWWTDR-JXMROGBWSA-N 531.421 5.398 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3O)nc2c1 105310478 LULDSUCPMGVOPW-UHFFFAOYSA-N 545.621 5.843 5 40 KKBB O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1Cl 105319223 INMONUPTEAJJDZ-UHFFFAOYSA-N 567.646 7.302 5 40 KKBB CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)cc1 106745208 VXTDUTNYXVIDAC-MYYYXRDXSA-N 547.589 5.420 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)o1 111472858 UZNWWOPKABTUOR-USDTVRPUSA-N 610.623 5.190 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c2=O)=N1 150392471 DPKAVMULFDZZRX-KMCFWPMWSA-N 653.713 5.917 5 40 KKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215269449 GKPURDXCDCOORG-IFRROFPPSA-N 519.318 6.127 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222713898 KRIATLJJSYMRBU-AREMUKBSSA-N 621.543 5.429 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223791200 YSOAHIYFRFLSPF-OGVWKLGRSA-N 786.145 7.078 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223815835 ZZXORKOLHAXEGL-CCLHPLFOSA-N 588.557 6.690 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225265884 GRLKBYOPUIGMOG-DEOSSOPVSA-N 613.564 5.232 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NS(C)(=O)=O 225469696 BFNWKDTWQNYKFM-RPBOFIJWSA-N 549.634 5.107 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc(C)cc2)=C1c1ccc(C)cc1 253575576 UTZPLZWFWNCZFX-FGDVEMDPSA-N 660.726 7.409 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261081739 RJGHQBKYJNNTJQ-CMVGPNDKSA-N 642.778 5.653 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccccc1F 408565679 CTEJICHTMJKRQY-AREMUKBSSA-N 538.601 5.811 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)c([N+](=O)[O-])c1 408572092 GSOQSNWJNGQAFV-UHFFFAOYSA-N 577.446 5.175 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12 408573515 TTYBNAQNKKKONR-NDEPHWFRSA-N 619.541 7.498 5 40 KKBB O=C(O)/C(=C/c1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2Cl)o1)Sc1nnc(-c2ccc(Cl)cc2)o1 408634589 RZSBRBWZYFHSIN-WSVATBPTSA-N 538.752 7.083 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408637763 BBYBZIKNEYYIMJ-IAIFEWERSA-N 576.005 5.702 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408660058 WHNVLGJEJBCPDV-ZRZAMGCNSA-N 624.433 5.536 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735289 PTNIPOBAFANOME-KFOJKGMOSA-N 673.744 5.092 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(F)cc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 408838427 WBGGCFZXPUFGCZ-ITNPZBTBSA-N 563.610 5.934 5 40 KKBB O=C1/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)NC(=S)N1C1CCCCC1 409089616 JFYYMZPAGXKZIL-NDENLUEZSA-N 595.313 6.089 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl 409161965 XUSLRCMIUZDDID-BRJLIKDPSA-N 671.040 6.199 5 40 KKBB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409178497 IWZHNTNCISUDCV-NDEPHWFRSA-N 579.392 6.700 5 40 KKBB O=C1OC(c2ccccc2Cl)=N/C1=C\c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409188718 FOJCPBVKVLPRKE-UNOMPAQXSA-N 527.714 5.574 5 40 KKBB O=C1S/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 409275186 SISKDZOUGQQBCN-JAIQZWGSSA-N 520.872 7.300 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409338243 GLCTXUIEFPHOFO-CVKSISIWSA-N 654.539 7.133 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O)N1CCc2ccccc2C1 409379049 USSLMOPVDPCVRA-DICXZTSXSA-N 552.612 5.219 5 40 KKBB O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)C2=O 3143025 AUGODBDNAWNIAG-UHFFFAOYSA-N 571.614 7.466 5 40 KKBB Cc1c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)oc12 3173142 JFARQHXVKYMGKL-UHFFFAOYSA-N 564.812 6.602 5 40 KKBB O=[N+]([O-])c1cc(I)c(Br)c(-c2cc([N+](=O)[O-])cc(I)c2Br)c1 4802425 NAPONEMGAGEMIN-UHFFFAOYSA-N 653.790 5.904 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 59882298 HKUUOAWPKKVYPW-UHFFFAOYSA-N 616.677 5.383 5 40 KKBB COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)c(OC)c1OC 79189469 ZUEXMRLPMKVKHU-UHFFFAOYSA-N 503.555 5.918 5 40 KKBB biogenic O=C1[C@@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 100187117 JXWRLZKRBGOJKN-DOOQXGAZSA-N 527.374 5.781 5 40 KKBB CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1 100374699 XKNJUEPROJHYJR-KMRWNETISA-N 546.712 6.361 5 40 KKBB CCOC(=O)c1c(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)sc(C)c1C 100816050 NDDWDIUNRULTLD-VSKRKVRLSA-N 555.996 5.154 5 40 KKBB O=c1c2ccc3c(=O)n(-c4ccc(Br)cc4)c(=O)c4c(Cl)cc(c(=O)n1-c1ccc(Br)cc1)c2c34 101086416 XKKJQIUHFFQCEP-UHFFFAOYSA-N 610.645 5.222 5 40 KKBB O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 102871716 NZYFSQLOPMUSLX-VJGNERBWSA-N 553.502 5.004 5 40 KKBB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 103555421 JPSWEZZIEGDXBS-FJLMOIIKSA-N 615.642 5.858 5 40 KKBB COc1ccc([C@H]2C3=C(O)C[C@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(C)=O)cc1OC 104161468 DLDJLDQBMJBPGU-OLILMLBXSA-N 513.550 6.182 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 106708142 AFHFSADPTKCDMA-CFRMEGHHSA-N 533.562 5.166 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)o1 111472895 LKCNKTPUNKDXKN-JLKMOJGBSA-N 606.660 5.359 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223428290 WSYFUFNCNDSYBI-YTTGMZPUSA-N 662.740 5.022 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3Cc3cccnc3)cc2)cc1 224767457 ZDROJWUGFQZLJY-VMPREFPWSA-N 564.696 6.563 5 40 KKBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224796167 RYSRTUJUEIQJPM-MHZLTWQESA-N 519.667 5.301 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225302686 FVIXDBQVHCGNSK-RUZDIDTESA-N 513.660 5.093 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260931963 WZYCZKWGBHORGB-OAQYLSRUSA-N 649.141 5.089 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260938857 RFFVBCDGAWKPBD-PGUFJCEWSA-N 767.732 7.503 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OC 408564770 ABPZRKZWIBFAPT-HXUWFJFHSA-N 521.437 5.472 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408573655 UACDBHXZQDKCTC-XMMPIXPASA-N 545.448 6.580 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408574439 UVGDSTVZMNBOPH-XMMPIXPASA-N 545.448 6.580 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCC)cc1 408576987 YGXCIPAAETZSCM-HXUWFJFHSA-N 507.410 5.246 5 40 KKBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 408591349 LHALBOYMXTXGGY-UHFFFAOYSA-N 524.382 5.053 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C1(Br)c3ccccc3C2(Br)c2ccccc21 408728813 UQAQSNHNHQRWFX-CSKPTYFESA-N 633.090 5.767 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(I)c5)c(=O)n42)c2ccccc2CC3)cc1 408756647 ITIXFNSKTJPYEK-KFOJKGMOSA-N 853.476 7.024 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1 408785196 ZPUADJVEULHULN-ARLGEPFESA-N 570.465 6.107 5 40 KKBB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408818261 PGPWMJMBOUCSOH-JAIQZWGSSA-N 572.349 6.307 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408934832 DHDAODXUVCIRJP-UBXIJNLVSA-N 717.203 7.103 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccccc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408941944 KTXVLYIWLBJXSN-QDZBTNNNSA-N 694.560 5.065 5 40 KKBB CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409038879 FUDNVUYVDAUBDJ-YNMQQHPQSA-N 678.561 5.447 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl 409154083 JRSNLRKIANQVHO-DHRITJCHSA-N 765.966 6.682 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1Cl 409179455 OGDBBFSCWAVIIQ-LSHDLFTRSA-N 568.951 5.932 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O 409190162 LSHXPAUWASKKFY-WBDHZMATSA-N 519.307 5.321 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(Br)c(Cl)c1 409193131 CLTCVBBDJRCPFH-DJKKODMXSA-N 597.230 6.599 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Br)cc(-c2nc(O)c3c4c(sc3n2)CCCC4)cc1Br 409263517 LKOOGWRHCICNJT-UHFFFAOYSA-N 645.251 8.187 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1cccc2ccccc12 409269250 AEPHFIYBXWFIGX-AFUMVMLFSA-N 570.539 6.124 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409272918 IBQBZTLTIVUPQX-MXAYSNPKSA-N 515.522 5.656 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409348079 OXJPRDAGMJKNEX-WQNUKSJVSA-N 638.529 5.901 5 40 KKBB CC(=O)Nc1ccc(Oc2cc(NC(=O)c3c(-c4ccccc4)nn(-c4ccccc4)c3C)cc([N+](=O)[O-])c2)cc1 828568 SQCNHUAWLUHCRH-UHFFFAOYSA-N 547.571 6.759 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 832726 CCJOLOSYOLPDCX-QYVRTBTHSA-N 558.546 5.031 5 40 KKBB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccccc5)cc([N+](=O)[O-])c4)cc3N2)cc1OC 999467 QSURYZRNYGKARA-BWKNWUBXSA-N 583.523 6.513 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 12524404 DMPUUBXDPAHJAF-ZSHBASPPSA-N 502.527 5.054 5 40 KKBB CC(C)(C)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(C(C)(C)C)cc3)cc([N+](=O)[O-])c2)cc1 59461461 JLXIMBNGCMPKIR-UHFFFAOYSA-N 501.627 6.050 5 40 KKBB COc1cc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C2CCCCCCC2)cc(OC)c1O 79482850 XQBKLASENKQWQG-UHFFFAOYSA-N 517.582 6.726 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@H]2[C@H]1c1ccc(Br)cc1 96022722 ZOESZJOOIKSZAE-AMDUHLOVSA-N 680.397 7.393 5 40 KKBB O=C(c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 97971281 GONMSONKEHLAPM-YNXMOZLXSA-N 657.104 7.426 5 40 KKBB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2c1 100928862 OJVINKMRAQFBTE-UHFFFAOYSA-N 551.389 6.588 5 40 KKBB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1[N+](=O)[O-] 100966814 XXJAVXKVGVYFHR-WXHPKRHJSA-N 616.673 7.092 5 40 KKBB CCOC(=O)[C@@H]1CCCN(CCCNc2cc3oc4cccc(C)c4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1 101027403 ZCWAJPWXFZJBIX-HXUWFJFHSA-N 539.632 5.326 5 40 KKBB COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1cccc([N+](=O)[O-])c1 102887108 ZTBXZOFYYWFZSK-BDTNDASRSA-N 558.772 5.070 5 40 KKBB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)oc2c1 105312323 SDAUIGXCASHXJS-UHFFFAOYSA-N 536.013 6.092 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 164542784 LJPBTWDVBPSLSU-JESJEVRBSA-N 708.705 5.562 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 197829034 LCLZZMIJMCWCRL-UHFFFAOYSA-N 638.724 5.163 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 205652771 PMBIWHALVLSIAA-KTZMUZOWSA-N 599.961 6.313 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1cc2c(cc1Cl)OCO2 215192960 QZEPHIPYCHETOO-GZIVZEMBSA-N 555.908 5.914 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224464626 WNFBJNCVKNPDJD-WJOKGBTCSA-N 707.647 6.107 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225217261 SDBNOTMAOVTWCW-NRFANRHFSA-N 710.047 5.857 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247351884 WIXOSKXCILXJHS-UPOHCCNUSA-N 576.008 6.230 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247359495 YYPROOUPLMEMIX-UPOHCCNUSA-N 559.553 5.716 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 408569504 JILLXFHBCXORBY-XMMPIXPASA-N 577.465 7.109 5 40 KKBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1Br 408604378 ILSJSSKZNPSQQR-PKNBQFBNSA-N 502.321 5.240 5 40 KKBB Cc1c(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408634449 RKFFWVZSBXANCJ-OYKKKHCWSA-N 546.992 6.827 5 40 KKBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]12 408642735 FCUJLDVJNMZUDT-AVDBILAHSA-N 573.989 5.478 5 40 KKBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C2)cc1[N+](=O)[O-] 408661203 OJTMJURKERVJJO-HXUWFJFHSA-N 545.592 5.528 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 408835774 ZGLIYDRBNQFPQZ-UPWSPCOFSA-N 725.561 5.207 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)Nc1ccccc1F 408935833 OCVQFBZVLQBWDE-UUYOSTAYSA-N 633.395 5.593 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409019193 IKOXAMFJLDATPD-UDWIEESQSA-N 524.327 5.042 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 409032460 CDWCDAOXUMCLJG-CRCYZHLCSA-N 670.513 5.657 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409042219 WTTPAECYJACPSX-FZEVDNDPSA-N 895.510 6.291 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409051462 AFXZXPDMYQHFPX-HAHDFKILSA-N 540.981 5.951 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409148032 OGFIVQPYPFQIKD-JOCHJYFZSA-N 602.669 5.237 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc(Br)cc1 409167320 IAVMOWXYPCDWSM-LPYMAVHISA-N 568.405 5.611 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)ccc1Cl 409168423 MIPMIEOUODYMCQ-FOKLQQMPSA-N 626.987 5.800 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409207026 YZYJGZGNDGWKOU-KOEQRZSOSA-N 504.564 5.852 5 40 KKBB O=C1S/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 409270808 AWKYKTKWZYRNDL-SRZZPIQSSA-N 536.928 6.359 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409271049 IHNOKSOGQDDSPG-URFJJRPFSA-N 626.735 5.105 5 40 KKBB Cc1cc(C(=O)COC(=O)c2c3ccccc3cc3ccccc23)c(C)n1C[C@H]1COc2ccccc2O1 2636616 XMBUFKVMMLQZRG-DEOSSOPVSA-N 505.570 6.291 5 40 KKBB O=C(O)c1cc2c(=O)n3c4ccccc4nc3c3cccc(c1-c1ccc(C(=O)O)c4c(C(=O)O)ccc(C(=O)O)c14)c23 6446982 YCONNIRZNSWTNZ-UHFFFAOYSA-N 572.485 5.205 5 40 KKBB O=C(Oc1ccccc1)c1ccc(COc2nc3ccccc3nc2/C=C/c2cccc([N+](=O)[O-])c2)cc1 24522761 KPTPCDQLMIWNDH-OBGWFSINSA-N 503.514 6.507 5 40 KKBB Cn1cnnc1Sc1ccc([C@@H]2NC[C@@H](c3ccc(Cl)cc3Cl)c3c2[nH]c2ccccc32)cc1[N+](=O)[O-] 53356858 AVDHCTSNRUJZTD-UUOWRZLLSA-N 551.459 6.487 5 40 KKBB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@]1([C@H]2C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)N=C1C 59662992 YRGNNBWEALFYLI-CMKKOEAFSA-N 625.645 5.410 5 40 KKBB O=C(CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5)Nc1ccc(Cl)cc1 97952642 FMRBTAJFEGSHMT-UHFFFAOYSA-N 543.077 6.427 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@@H]1C(c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)N=C1C 100044335 XUWLGTGIHPXLNS-NSOVKSMOSA-N 537.620 5.990 5 40 KKBB O=C(OCCSc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1[N+](=O)[O-])c1ccccc1 101103930 SAGGSGFQJOTOTF-OEAKJJBVSA-N 589.478 7.087 5 40 KKBB O=c1c2c(NC(=S)Nc3ccccc3)scc2c(-c2nnc(Nc3ccccc3)s2)nn1-c1ccc([N+](=O)[O-])cc1 101461366 NJZUTUKZABYGFG-UHFFFAOYSA-N 598.695 6.426 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)cc1[N+](=O)[O-] 103913553 WSFVNOWUIUDGEX-UQDCTOEPSA-N 551.649 5.857 5 40 KKBB O=C(NC(=S)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 108938624 WGMISMFNCKVJPV-UHFFFAOYSA-N 534.557 5.869 5 40 KKBB O=[N+]([O-])c1cc2c(cc1S(=O)(=O)O)[C@@H]1[C@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150389151 BCPWEHMVDWTVEJ-PXWYVTRHSA-N 798.781 8.946 5 40 KKBB O=c1/c(=C/c2cc(I)c(O)c([N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 150482228 FJAOQJFKTPFRKC-MFUBYVTQSA-N 641.874 5.191 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OCc6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)cc1OC 163275038 JPAMBFFPDNVBIL-FFWTUWPMSA-N 631.710 5.823 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222665673 HRASPZUTKWOBKW-WJOKGBTCSA-N 709.619 5.256 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C(C)C 224104076 XLCQEZOPSWDZDL-SVBPBHIXSA-N 540.649 5.861 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225591990 CFVLAJYPTOTFOD-JIPXPUAJSA-N 601.125 5.166 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@H](C)C3)c(Cl)c2)o1 260914817 HHDGKRXRCXNLAO-ZNSOBGTASA-N 618.159 7.571 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408547244 XMMFFPSNGHBELY-UHFFFAOYSA-N 524.382 5.053 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408567197 GRLKDKJBZZMCKF-BABFKJTQSA-N 570.415 5.134 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 408569490 JGROSCLAXSFNLK-RUZDIDTESA-N 617.953 7.388 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccccc1 408613615 YULPRYXBSYXMOH-UHFFFAOYSA-N 547.349 5.228 5 40 KKBB O=C1S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1ccccc1 408808705 FGPXTVAYRWDSCG-NDENLUEZSA-N 684.249 6.624 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(C(=O)OCC)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408835466 XBBHOMBTUFVVIW-UNDLXJOSSA-N 750.624 5.623 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409061122 VREDMRNBXNVVHU-UCQKPKSFSA-N 612.458 5.093 5 40 KKBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O 409104991 HJIRBNMTOYNRDA-YDZHTSKRSA-N 506.536 5.315 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409221622 TYSCTPYWLIVAOB-FSJBWODESA-N 566.408 5.736 5 40 KKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1Cc1ccc(Cl)cc1 409240359 SWGAKXCKLNUDLO-FBCYGCLPSA-N 509.754 7.052 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl 409271375 BZFKTSQAYMAUMK-BRJLIKDPSA-N 587.437 6.799 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409275858 MBFOAVVNLQPMSQ-JFLMPSFJSA-N 558.999 6.900 5 40 KKBB O=C(O[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O)c1cccc(C(F)(F)F)c1 409380979 CMZVVUDOHCYTNE-VQTJNVASSA-N 614.407 5.107 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1Cl 100086561 MGCPGYOFHKLUPV-UHFFFAOYSA-N 530.677 6.536 5 40 KKBB CC1=C[C@@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5Cl)cc4)cc3)C(=O)[C@H]21 100390395 QGAMWNKSVGNEGX-DIMNDINBSA-N 558.974 6.099 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Br)cc4)o3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 101084566 HLZGPFAMGMVLRE-DSNGMDLFSA-N 560.360 5.668 5 40 KKBB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5c(Cl)cccc5[N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 101460302 IBBQLBXXABFNKA-VCSRXXJTSA-N 558.974 6.099 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@H]1C(=O)N(c2ccc(Oc3ccccc3)cc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 102803261 IYIOOKBSDDQFMP-IZZNHLLZSA-N 541.947 6.337 5 40 KKBB COc1cccc(NC(=O)[C@@H](Sc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 103104210 YNXMMKYKFTVHFQ-SANMLTNESA-N 538.585 5.775 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2)N2c3ccc(Cl)cc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 103550594 DYEXHBYXRFDPOE-VGBJTSDXSA-N 576.008 6.104 5 40 KKBB COc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)c5cc(Cl)ccc5OC)CC4)cc3)o2)c([N+](=O)[O-])c1 104086982 QGDUGMPQVYPORN-UHFFFAOYSA-N 591.020 5.740 5 40 KKBB O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 104659449 BHHOCPQCAXWUOY-NBQDTTAVSA-N 602.628 5.927 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(Br)cc1 106723905 WKEIWSPXSFBAGS-XKZIYDEJSA-N 525.380 6.173 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n31)c1ccccc1CC2 139950745 WROGOUXZYQEWJR-JLKMOJGBSA-N 561.619 5.496 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150395707 HSJLUZZBSOPMFM-WGJPBTIMSA-N 651.697 5.429 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222591733 QXAFQTAGPQEHSH-WNCULLNHSA-N 659.205 5.525 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 224872166 QVKYXLQICBJWEQ-MRXNPFEDSA-N 538.428 5.155 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408563852 BFDUCDPNERUGEN-KLPDMWAPSA-N 612.908 6.135 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1Cl 408568744 INGPGVCGJHXIPE-VWLOTQADSA-N 633.952 7.088 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@H]12 408719520 FMRLWFBDFREYPB-TVNKHIRZSA-N 536.584 5.709 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733555 JSMKFNNXSZFSIW-VPHSIRQSSA-N 640.630 5.443 5 40 KKBB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408773508 RDAVTKDHGXESNW-KLKBWYFJSA-N 540.041 6.388 5 40 KKBB COc1ccc(-c2ccc(/C=C3\S[C](Nc4ccccc4)N([C@@H]4CCCC[C@@H]4C)C3=O)o2)c([N+](=O)[O-])c1 408813843 VHRFUXGKUARWJK-JGDARTDMSA-N 518.615 6.917 5 40 KKBB O=C(Oc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1)c1cccc([N+](=O)[O-])c1 408845880 ZYKUADBIYMVNIA-IVQFASICSA-N 630.638 5.354 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408975888 OSCFPXVWSNIDNY-ZNXSGUOESA-N 766.762 7.908 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c2=O)=N1 408986205 ONTRMSHHJDAOSG-GOWBIRFASA-N 677.360 6.424 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 409000614 UGYCAYZQZGXPQR-JBVGNYNVSA-N 677.735 5.440 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409031544 HFQAWIZXMXXABP-FZEVDNDPSA-N 757.059 6.497 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409155511 IXQKNCWVFBAGMU-ZVHZXABRSA-N 640.512 6.627 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1cccc(Cl)c1 409175808 VDNCHINPMYYCSG-ZVBGSRNCSA-N 656.820 7.497 5 40 KKBB O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1 409194721 QLZZHMZELFZSPP-GRSHGNNSSA-N 651.061 6.446 5 40 KKBB COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409221427 QCCATKVNCUTVPZ-XDHOZWIPSA-N 507.362 5.009 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 409251762 QNYKMWLQLHWGRS-BHGWPJFGSA-N 660.886 5.956 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 409335247 KOHPTUHCMLZNQW-FJNIOPPGSA-N 785.613 5.306 5 40 KKBB Cc1cccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3cccc(O)c3)c3ccccc23)c1 584578771 WYCUKTYMWDQGCS-UHFFFAOYSA-N 542.682 10.947 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cc4nc(-c5ccc6c(c5)OCO6)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc1 8445121 HZQCLSRWFKEEKO-UHFFFAOYSA-N 607.501 6.495 5 40 KKBB CCN(CC)[P@@]1(=Nc2ccc([N+](=O)[O-])cc2)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1c1ccccc1 12492330 NVPCWZGJXRJMBI-RIJRSDBYSA-N 528.597 7.745 5 40 KKBB CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 12682455 DCGXMVGQDNYEIX-RUZDIDTESA-N 513.015 6.688 5 40 KKBB O=C(COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)Nc1ccc(F)cc1 59651958 JJKPRRUEKLTZNY-DHUJRADRSA-N 616.649 7.113 5 40 KKBB O=C(COc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Cl)Nc1ccccc1 100331856 QQJLFJABKRWBBQ-XKZIYDEJSA-N 523.954 5.502 5 40 KKBB Cc1nn(-c2ccc(Cl)cc2)c(O)c1[C@@H](c1ccccc1[N+](=O)[O-])c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O 101620424 NJQIKEFTLKDBRK-VWLOTQADSA-N 550.402 6.069 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 102661702 OBXHCNWPQHUSOZ-UZXVLJJWSA-N 616.626 6.356 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(c1ccc(C(C)(C)C)cc1)=NN2c1ccccc1 104496085 LRGNDYIUQQRYON-XIFFEERXSA-N 575.694 7.431 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2=O)=N1 164177372 XBMKJJNWMNSYPA-FUFNRSNVSA-N 638.098 5.417 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223561000 KQZFTNTUEWPBEZ-MHZLTWQESA-N 679.623 6.136 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)c1 224819273 HHKLJLLNLQDSDP-DQEYMECFSA-N 502.552 5.444 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225265915 GRLKBYOPUIGMOG-XMMPIXPASA-N 613.564 5.232 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 225658611 IIZPLDIMZRHFSD-SXOMAYOGSA-N 527.606 5.560 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1 408559339 ZGCHYNRKUQWETN-UHFFFAOYSA-N 518.351 6.098 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)cc1C 408567615 GYORCFGJQQCPCV-VWLOTQADSA-N 553.482 6.644 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408568579 IAXVISXNDAUONE-RUZDIDTESA-N 559.475 6.970 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F 408569494 JHUHYCKTELCKHB-VWLOTQADSA-N 557.047 6.683 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc(Cl)c1 408571356 OMOOURROIYKTLQ-QHCPKHFHSA-N 589.899 6.689 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408650688 MRFCBPADRIXUTE-DZUWIXTPSA-N 746.559 7.253 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731931 QWJLPLJGIHFDRF-VTXOETNRSA-N 780.812 6.289 5 40 KKBB COc1ccc(-c2ccc(/C=C3\S[C](Nc4ccccc4)N([C@H]4CCCC[C@@H]4C)C3=O)o2)c([N+](=O)[O-])c1 408813852 VHRFUXGKUARWJK-MQCGDYOGSA-N 518.615 6.917 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 408857765 PUQGAXXDFSDQMH-WWWKDLBZSA-N 606.660 5.441 5 40 KKBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)cc1 408920192 AQUHVKRLKHDAFO-ZXVVBBHZSA-N 529.574 5.584 5 40 KKBB Cc1ccc(NC(=O)COc2ccc([C@H]3N(Cc4ccccc4)C(=O)c4cc([N+](=O)[O-])ccc4N3Cc3ccccc3)cc2)cc1 409146957 LWNKXTVYKMFQRW-PSXMRANNSA-N 612.686 7.282 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl 409159529 QVPONDWNBXIBTK-WYMPLXKRSA-N 612.016 5.297 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)o1 409160772 ZJNBOGMOHVGYKK-WSDLNYQXSA-N 507.524 5.155 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O 409233680 HGFKVEHEPFMQNI-XDHOZWIPSA-N 521.389 5.781 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 409273535 RKQYVOMYZKBRME-QRVIBDJDSA-N 553.390 5.856 5 40 KKBB CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 101589816 KHCJVOYEERZCRS-IZJWOVIGSA-N 599.599 5.502 5 40 KKBB CCc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2s1 101666847 YLQLQPNUXPWATQ-UHFFFAOYSA-N 609.780 7.147 5 40 KKBB COc1ccc(CCNC(=O)CSc2nc3cc(C(=O)NCc4ccccc4)ccc3c3nc4ccccc4n23)cc1OC 102744526 YKIWMTNMZCWGGF-UHFFFAOYSA-N 605.720 5.434 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1C(=O)N(c2ccc(Oc3ccccc3)cc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 102803259 IYIOOKBSDDQFMP-FTJBHMTQSA-N 541.947 6.337 5 40 KKBB COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 102877564 SUUFERUYZMLAHJ-AWCRTANDSA-N 614.010 5.836 5 40 KKBB COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Br 105308108 HGCMQEBBOPYBNI-UHFFFAOYSA-N 596.463 5.901 5 40 KKBB Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 106745681 YOBFCCJJHMVGSP-UCQKPKSFSA-N 503.536 5.157 5 40 KKBB O=c1c2cccc(Br)c2c2cc3ccc4c(=O)c5c(Br)ccc(Br)c5c5cc6ccc1c2c6c3c45 150366574 XEFBBRKOUIBPNT-UHFFFAOYSA-N 643.128 9.080 5 40 KKBB O=C1[C@H]2Sc3[nH]c(=O)sc3[C@H](c3cc([N+](=O)[O-])ccc3OCc3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Br)cc1 150413727 DPQPFEIYZXENAY-XPNTWCBSSA-N 658.939 6.135 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 163671963 IQFDMVVFDYEKNO-KOHOJCOXSA-N 745.570 6.558 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(C)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 163994485 GQODMJYYOYZESC-JXWCMEKSSA-N 644.727 7.709 5 40 KKBB Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccc(N)cc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1 169568407 FNUGBWUULHWQCC-UHFFFAOYSA-N 644.782 10.488 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223439084 RJGHQBKYJNNTJQ-ZORMNXRFSA-N 642.778 5.653 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)cc2)cc1 224756106 AQEHKNWULXQPQM-IOWSJCHKSA-N 594.649 7.236 5 40 KKBB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccncc1 224764016 QLOSRGOKXGWNGW-CONSDPRKSA-N 592.750 7.180 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc23)o1 225714489 BKMAYNHSYQOSME-CONSDPRKSA-N 593.665 6.413 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229905682 KHCVIOANXKIKGD-CLWMVSBGSA-N 571.589 5.460 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 408565215 BHUYRFMBRYDVNX-XMMPIXPASA-N 587.471 6.483 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)[C@H]1CCCN12 408568143 SCBHTRMFYAZXOZ-YUHKXCSQSA-N 603.300 6.389 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1 408569903 KFGCOGSPBXERHY-QHCPKHFHSA-N 555.454 6.036 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C3(Cl)Cl)c(C)c2)CC1=O 408672564 VLOINKKNHQVTQC-ISTMZFFWSA-N 738.191 5.821 5 40 KKBB O=C(NC1CCCCC1)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)NC4CCCCC4)c3cc12 408719479 FDSPFCLPGJDVCQ-UHFFFAOYSA-N 582.748 8.242 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1Cl 408748436 AHNXSXGHLLAXSO-UHFFFAOYSA-N 538.994 5.698 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)c1 408831072 PLCDKDCCBUWOEL-USDTVRPUSA-N 610.623 5.190 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)cc1OCC 408941437 VUMJDQJPYJEECS-GQFLCQBOSA-N 802.556 5.037 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 408987355 OFXKYMRWNVDCSC-XNENXQGPSA-N 677.735 5.440 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408987436 OREHNPBETNXAOJ-SZYVSPPHSA-N 787.483 6.218 5 40 KKBB CCOc1ccc(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c34)C2=O)cc1 408997762 SSTVCKKRISEGGL-UHFFFAOYSA-N 560.404 7.070 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2=O)=N1 409038338 OJHIXHBXXJPRQW-QTTRZTASSA-N 652.523 5.518 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409087153 GORJVNMRNDLGFZ-JLKMOJGBSA-N 644.775 5.180 5 40 KKBB COc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OC 409111416 CMQMVVFHSJXTOL-LJAQVGFWSA-N 588.458 6.736 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1 409173431 NASMHIXBVMOOLG-XIFFEERXSA-N 541.559 7.274 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(F)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 409179071 PRMJZYQTUHSYHZ-OFRZWCKSSA-N 648.690 7.540 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409193175 DPIUNFQGICIYIZ-VULFUBBASA-N 591.598 5.019 5 40 KKBB CCOc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409257747 UQKSJKMRBMBNGM-UHFFFAOYSA-N 531.512 7.061 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 409274115 BKMZTLFEILEDFA-HBMWKUFKSA-N 650.801 6.204 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409274349 WGBBXJDRCDZBLT-UFFVCSGVSA-N 554.968 5.428 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409382873 WUPLHVZHIBNRGM-HMAPJEAMSA-N 560.028 5.275 5 40 KKBB O=[N+]([O-])c1ccc([C@H](Nc2nnc(C(F)(F)F)s2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 8453409 VWRBQTKVMBADMG-LJQANCHMSA-N 536.428 6.927 5 40 KKBB Clc1c2ccccc2c(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)[nH]2)c2ccccc12 8743643 PTNAJCHYSNTFLM-UHFFFAOYSA-N 523.035 10.163 5 40 KKBB Cc1c(NC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] 19856780 DAIRKKJZXSXBDU-UHFFFAOYSA-N 501.564 5.551 5 40 KKBB O=C(c1ccc(C(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)cc1)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 33355240 QSOMBZRWUVKCMU-UHFFFAOYSA-N 666.558 5.566 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 59522527 GDIODBFOHZMHGD-UHFFFAOYSA-N 542.953 5.515 5 40 KKBB COc1ccc(C[C@@H](C)N(CC(=O)c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Cc2ccccc2)cc1 71257463 GYWPAIAUFMGISM-XMMPIXPASA-N 524.617 6.499 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 97971229 NEDRYBPZTOGQAA-WOWHIWEASA-N 605.522 7.421 5 40 KKBB O=C(Nc1cc(Cl)ccc1Cl)C12C[C@H]3C[C@H](C1)CC(n1nc([N+](=O)[O-])nc1Br)(C3)C2 102831734 IISICRPYKUYXCF-VYKCNYFWSA-N 515.195 5.190 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 104084481 SBACVMWRUYNGQB-HQMQMYHNSA-N 585.572 5.305 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105307871 ZCPSSFBFOQDQFH-UHFFFAOYSA-N 550.040 6.400 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 197824614 HPGDPLAUAIHAIA-UHFFFAOYSA-N 669.059 5.902 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214709170 WSVNQLKXWVQPSK-FOKLQQMPSA-N 613.397 8.348 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224085463 OLKIQMYVLIJXKQ-UUWRZZSWSA-N 672.804 5.582 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224362781 PKYKUDJXUILUGO-HKBQPEDESA-N 663.196 5.998 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224420580 GPEBUVWLUXVCRS-HKBQPEDESA-N 693.620 5.719 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 224759195 WCHNSMXHDLXXFP-KYJUHHDHSA-N 564.623 7.228 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260887767 KILVNVVNOXSJNO-OAQYLSRUSA-N 665.596 5.603 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc(F)c1 408577234 YTYFIJNGLHCHHY-HSZRJFAPSA-N 573.444 6.175 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccc(Cl)cc2Cl)cc1 408585115 AIZGWWBNNNZRBZ-UHFFFAOYSA-N 522.410 5.348 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1 408612174 USZINBQJSTWTDK-UHFFFAOYSA-N 538.769 6.443 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408637584 AMVVPDLQYNNTCH-HHLQZUTDSA-N 666.128 5.590 5 40 KKBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408642669 NSCWUMOTNNJNOT-AWEZNQCLSA-N 526.332 5.135 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccccc1 408648340 WEXYTZQRBCCOAC-ZBWOKKAISA-N 652.101 5.282 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408650707 MTFRQAXWEWOVRI-GOTSBHOMSA-N 622.417 5.312 5 40 KKBB O=C1N/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 408931797 QKAVQYUEHBKSMI-NHDPSOOVSA-N 621.669 6.445 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409100008 PDKOOBMVOIJAOM-GVMLUORFSA-N 595.052 5.064 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409106564 MTCRDVATOAYFAU-RGVLZGJSSA-N 626.425 5.165 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409171698 FJYDXJMRBNLKFJ-ZMOGYAJESA-N 601.559 6.788 5 40 KKBB COc1ccc(-c2cc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 409177205 DKWVIJNOFRKUGJ-PMERELPUSA-N 518.525 6.600 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409194786 RDBFTWRAUYUZTI-LPYMAVHISA-N 589.851 7.229 5 40 KKBB Cc1ccc(C(C)C)c(Oc2cc(NC(=O)c3cnn4c3N[C@H](c3cccs3)C[C@H]4C(F)(F)F)cc([N+](=O)[O-])c2)c1 2755282 ULWAOZOHXJLMQM-DHLKQENFSA-N 585.608 7.990 5 40 KKBB C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OCC)C(CCC(=O)OCC)=C4C)c(C)c3C=C 4537479 QRXCORFEAMPVBV-UHFFFAOYSA-N 618.778 8.461 5 40 KKBB CCOC(=O)c1c(OCCCc2ccc(F)cc2)cc2ccc3ccccc3c2c1OCCCc1ccc(F)cc1 5492859 WDAZXNCCRYPGME-UHFFFAOYSA-N 554.633 8.471 5 40 KKBB COc1ccc(/C=C2/N=C(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 103133838 PWZAXWZSSKRCOU-OHHQFBAHSA-N 597.049 5.778 5 40 KKBB COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(OC)c(OC)c2)cc1OC 104072103 VHAYLQVBACKSHU-JWCPUPCESA-N 557.603 6.066 5 40 KKBB C[C@@H]1N(C)c2cc(NC(=O)c3ccc(F)cc3)c([P@](=O)(Nc3ccccc3[N+](=O)[O-])N3CCOCC3)cc2C1(C)C 110551582 QTENFBVHLJQTCL-UNTHPZAMSA-N 581.585 5.365 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 163658845 UJTIYSAYEYSHIV-JBDWOJPXSA-N 726.811 6.848 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 214930721 ZIOUUUWYRDPGOX-RGVLZGJSSA-N 542.367 5.790 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224012161 FKWYVVBQXTZOGB-HHHXNRCGSA-N 675.204 5.493 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225462450 XCEMFWVHMSTZKT-MUUNZHRXSA-N 568.501 6.533 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 247337002 QZCMMIUCUBLAPD-LUIYPFIDSA-N 576.008 6.230 5 40 KKBB CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC 408565560 CKMQMBBNAGWOEV-HXUWFJFHSA-N 521.437 5.472 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1ccc(Br)cc1)[C@H]1CCCN12 408566286 NKVDPPNHLGEYEW-YUHKXCSQSA-N 534.410 5.083 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408672132 ZOXMQXUMTKLFQT-BDRLMTCPSA-N 642.495 5.746 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408843254 SFJVVQWUTHRAFQ-VZIOXZNFSA-N 633.988 5.171 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)N1CCN(c2ccccc2)CC1 409009858 ACCBRWROGVPPJR-PCLIKHOPSA-N 810.408 5.768 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c2=O)=N1 409043257 YPAPXTKYXIGQSA-KMBIYUNPSA-N 713.404 5.811 5 40 KKBB COc1ccccc1N1C(=O)S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409074702 WXNKUCBZOIEYTR-XKZIYDEJSA-N 541.379 6.186 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(s/c(=C/c3cc(I)c(OCc4ccccc4F)c(I)c3)c2=O)=N1 409083213 KSLQUHLCRVRRDL-ZWTBYVTRSA-N 839.421 6.022 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409086294 QHFKENGAZFKBIB-LCQSEVKBSA-N 664.534 5.057 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl 409151187 GYUBZHUMJRKAKJ-JFLMPSFJSA-N 654.097 6.468 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 409178407 HIUULNXUOXUDFJ-AREMUKBSSA-N 506.470 5.176 5 40 KKBB O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1cc(C(F)(F)F)ccc1Cl 409179064 OXQINZBJJMULQM-UHFFFAOYSA-N 522.863 6.521 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N1CCN(c2cc(Cl)ccc2C)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409180806 VTHVVZAUXSTNQO-UHFFFAOYSA-N 607.516 5.071 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409181674 DRZAYBAKXXYXQD-RUZDIDTESA-N 532.892 6.730 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccccc2Cl)OC1=O 409193746 LXSPUTQEOOXPMA-IWWQDUJXSA-N 632.648 6.737 5 40 KKBB O=C1S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C(=O)N1Cc1ccc(Cl)cc1 409241750 UNEBVKFVDYTFBR-CVKSISIWSA-N 530.989 7.217 5 40 KKBB O=C1S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C(=O)N1Cc1ccc(Cl)cc1 409247299 MDVKGCFQDYHUTK-CVKSISIWSA-N 530.989 7.217 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)c1ccc([N+](=O)[O-])cc1 409253011 UPTRPQJFCOLGDB-LSHDLFTRSA-N 652.357 6.996 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)o2)c([N+](=O)[O-])cc1C 409273470 QZYDKERZAXXOLX-UYOCIXKTSA-N 512.927 6.090 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)c1ccc(Cl)cc1 409275808 XDBIYJALKXGHDD-KEBDBYFISA-N 503.319 6.081 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)cc2[N+](=O)[O-])cc1 409276514 SCBWIUBIVVORBX-QRVIBDJDSA-N 525.007 6.627 5 40 KKBB CCOc1ccc(NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccc(C)cc2)cc1 869019 LXAVTAWKVSPFFN-UHFFFAOYSA-N 532.626 5.534 5 40 KKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)cc1Cl 2247742 BRYMIJSIKMCBBF-UHFFFAOYSA-N 500.389 6.256 5 40 KKBB CC(=O)/N=c1\c(-c2ccccc2)cc2cc3cc(-c4ccccc4)/c(=N\C(C)=O)n(C(C)=O)c3cc2n1C(C)=O 4266329 VFQLMCHZZXTWRN-FMWAKIAMSA-N 530.584 5.145 5 40 KKBB COc1ccc(-c2nc3cc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)ccc3o2)cc1OC 8903877 GWOQUHSGUMUQMB-UHFFFAOYSA-N 509.927 6.541 5 40 KKBB O=c1oc2ccc3ccccc3c2cc1-c1cnc(N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)s1 97965227 SQWUQFQPOISLGK-BYHQHNELSA-N 565.698 8.871 5 40 KKBB COc1cc(-c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)c(OC)c2)ccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])s1 100815895 JSLONYOAOPNRHC-YDWXAUTNSA-N 606.638 6.614 5 40 KKBB C[C@@H](NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103053718 YWTZHPUSGYJAHZ-NLDJYOPPSA-N 570.893 5.147 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)CCOc1ccc(Cl)cc1Cl 103629548 DPKMAIDINTUEFH-BFYITVNDSA-N 591.451 5.077 5 40 KKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccc([N+](=O)[O-])c2[N+](=O)[O-])cc1/C=C\c1cccc([N+](=O)[O-])c1[N+](=O)[O-] 104108599 MLLBUEYGPSJTBQ-FKJILZIQSA-N 552.368 5.477 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 106702668 BDGKJDPALJNTSZ-MYYYXRDXSA-N 504.564 6.117 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 111465588 UTDPOFNEQOXAIE-POKSHJSXSA-N 621.671 5.421 5 40 KKBB CCc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 112237742 MDVUFAUYLVJBSE-UHFFFAOYSA-N 566.039 5.582 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccc(Br)cc2)sc2c1CCC2 150424442 QUBYGTAIKIVIKT-UHFFFAOYSA-N 685.582 5.326 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 161915683 QFLVFAPRZCMVKE-UHFFFAOYSA-N 632.496 6.282 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)ccc5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1OC 163288970 SWSJHAPPHGILOK-HAWPWTPLSA-N 710.606 6.586 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Cl 214075375 IWJBPUAAWAFTNY-SRZZPIQSSA-N 534.899 7.296 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N23)c1 229904755 XDKVONHITCMNLZ-XYIJYTLJSA-N 585.616 5.850 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260894427 GLDBQFBPDZVZEV-UUWRZZSWSA-N 733.685 6.642 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261117833 YSOAHIYFRFLSPF-JQJBXXCASA-N 786.145 7.078 5 40 KKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccccc1 408543259 OOOWAXLQJLJSEE-KTKRTIGZSA-N 506.296 5.644 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408564868 APIOMJHGHUNYMD-DEOSSOPVSA-N 672.816 8.386 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 408565771 MCQILYCHOHJUDX-USCUKXROSA-N 578.463 5.481 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1ccc(F)cc1 408566072 DTGOJAOURKRFSN-QHCPKHFHSA-N 612.308 7.473 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(F)cc1 408573044 SGEBFNHDUGWOMS-SANMLTNESA-N 538.601 5.811 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)O)o2)c1 408634002 QVTSBALQILURBV-YSMPRRRNSA-N 572.599 6.191 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408646717 UGBDFLKIEAQHJB-WVZRZZCNSA-N 697.098 5.190 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408650073 ZHZOOVZFVVUWKN-ZCYQVOJMSA-N 573.989 5.622 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408684183 MYWHLECOAOPYMV-SNINSWTHSA-N 658.536 6.252 5 40 KKBB O=c1/c(=C\c2c3ccccc3cc3ccccc23)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408840426 GEYRUCDHEGUCDP-DUCIMOQJSA-N 555.102 7.279 5 40 KKBB O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 408849178 YZMBYJSCVXPNKJ-YVBHXKDBSA-N 608.657 5.989 5 40 KKBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1[N+](=O)[O-] 408906550 HDWKUDXSNNTIRS-UHFFFAOYSA-N 513.881 5.629 5 40 KKBB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 409084222 ANCKSSNYLSBNJW-BKUYFWCQSA-N 703.340 6.116 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409171902 DDBYRKQNWLEOIG-IPAKXIGBSA-N 634.110 5.256 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc(F)c(Cl)c1 409219043 IKVSIKFNJABXRX-SSDVNMTOSA-N 541.944 5.641 5 40 KKBB O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1cccc(-c2nc3ccccc3c(=O)o2)c1 712263 PBRFUCZRKIDULF-UHFFFAOYSA-N 505.442 5.356 5 40 KKBB CC(=O)Oc1c(Cl)cc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1-c1nc2ccccc2s1 2074725 XTHKXEQFCMLKRA-UHFFFAOYSA-N 502.335 6.356 5 40 KKBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)c(C)nc32)cc1 2245802 FIFBAWGXFNABPT-UHFFFAOYSA-N 509.997 5.556 5 40 KKBB COc1cc(C(=O)c2ccccc2)c(OC)cc1C(=O)Nc1ccccc1Sc1ccccc1[N+](=O)[O-] 3090757 BOUMZUJJMRTANT-UHFFFAOYSA-N 514.559 6.247 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8902024 XUOWPPAIACNDAQ-UHFFFAOYSA-N 502.552 5.131 5 40 KKBB Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 12523903 PCUWQYNWJLCYKP-UHFFFAOYSA-N 515.547 5.187 5 40 KKBB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 14274725 KCOUJDWRSQCUST-UHFFFAOYSA-N 515.595 5.692 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3n2)cc1 57312808 SIRFJWKCBXFJCI-UHFFFAOYSA-N 520.014 7.100 5 40 KKBB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)sc2c1 59331507 GQBZLAUZEYZGNT-UHFFFAOYSA-N 517.636 5.907 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 97971215 BKOYERJOPBZSCY-SENKWDKBSA-N 534.663 5.991 5 40 KKBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(C(C)(C)C)cc1)CCC2 97979846 NKQYOASWEJDVOF-PYCFMQQDSA-N 579.653 7.122 5 40 KKBB CCCCn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1S[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 100817300 BHVJEVAEKZWQAQ-KRWDZBQOSA-N 614.750 5.153 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 102077746 KTJXKDYIUVLTIE-NFTCZMBSSA-N 598.995 5.638 5 40 KKBB COc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])ccc2N2CCCCC2)cc1 103050149 UJCBPERGRRWHIW-CXUHLZMHSA-N 536.610 5.046 5 40 KKBB CCOc1cc(C=C(C(=O)OC)C(=O)OC)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 104039689 KKEMFRMWTJGTPJ-UHFFFAOYSA-N 503.813 5.187 5 40 KKBB CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 105305974 YEKGHKDWOLEKRN-UHFFFAOYSA-N 559.652 5.153 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106379016 SYJNYHRVYYCMAZ-UHFFFAOYSA-N 532.018 5.523 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223332448 PLEJTPHZNDPFHH-MRXNPFEDSA-N 512.459 5.468 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223402272 AAMXNHWPVLWCFE-HXUWFJFHSA-N 700.041 6.401 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccn(C4CCCC4)c3)cc2)cc1 224790476 ZURKORDWSWBHID-WUFINQPMSA-N 541.702 7.235 5 40 KKBB CCCCC[C@H](O)/C=C/[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)N[C@H](Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC 248272748 QUHKMDJLJIBVDI-YXPKXTQTSA-N 574.715 5.237 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260956916 KPRVNXOMRLCJMH-UXHICEINSA-N 700.041 6.399 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)[C@H]1CCCN12 408568863 VCQIEFCWRHDVQY-AWTIUKJOSA-N 552.400 5.222 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1F 408577371 ZCJUOVDBBXIIFR-VWLOTQADSA-N 508.575 5.721 5 40 KKBB O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl)Nc1cccc([N+](=O)[O-])c1 408596684 XLKNVZNBQOBWBI-UHFFFAOYSA-N 529.880 5.085 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408639866 GLNTYSGHFYYHKZ-UHFFFAOYSA-N 590.375 6.230 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408643094 FNKJRZGNHQGHTH-QYVRTBTHSA-N 592.007 5.381 5 40 KKBB Cc1c(-c2ccc(OCc3ccccc3)cc2)nc2ccccc2c1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 408646566 PYKBQYBGPJRVIR-UHFFFAOYSA-N 547.567 6.493 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733773 QJORERVVSCXJLL-FZEVDNDPSA-N 907.908 7.408 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4c(OC(=O)c5ccc([N+](=O)[O-])cc5)ccc5ccccc45)c(=O)n31)c1ccccc1CC2 408757452 NLXKRKGADZFYMN-GQFYKFLTSA-N 665.727 6.608 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6cc(C)c(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)c1 408829457 JTIMCNIZWPMLON-KOHOJCOXSA-N 589.673 6.112 5 40 KKBB O=C(COC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1)c1ccc(Cl)cc1 409016485 JNTREYWPVSHYIA-UHFFFAOYSA-N 522.944 7.170 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c2=O)=N1 409041269 UKAIWPVNHDAOHV-SELCLYCASA-N 722.614 5.845 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc34)C2=O)cc1 409094074 CRGYPGOTSPHWIB-OGLMXYFKSA-N 583.622 6.401 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 409180930 ZFRIOEAVPRNIKC-OYKKKHCWSA-N 517.563 5.466 5 40 KKBB Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 409181691 GDAMNMFTPPVMBQ-MHZLTWQESA-N 520.497 5.485 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409184519 XUFONZQUDZTCBR-KEQCBNTKSA-N 578.046 5.237 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409231436 JBQLLKWTNFHKHY-DEDYPNTBSA-N 506.964 5.299 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)N1CCc2ccccc2C1 409273388 QKZSHWFOEUWLMQ-ZMOGYAJESA-N 583.544 6.027 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409369637 SYNCPQUDYIQUID-UHFFFAOYSA-N 839.428 8.371 5 40 KKBB O=c1c2c3nc4ccccc4nc3n(-c3cccc(C(F)(F)F)c3)c2ncn1Cc1ccc(Cl)cc1 2253812 HOIMZDMCSIETKM-UHFFFAOYSA-N 505.887 6.004 5 40 KKBB CC(=O)N1CCc2c(sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2-c2nc3ccccc3s2)C1 9639621 YMZGWTBDASYBLI-UHFFFAOYSA-N 513.000 5.743 5 40 KKBB Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 14274354 DQCXARLGLSOUSV-UHFFFAOYSA-N 515.595 5.829 5 40 KKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1)N1CCCCC1 44088043 PYIABDJTDWHDQL-UHFFFAOYSA-N 506.506 5.451 5 40 KKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2c(Br)cc(Br)cc2Br)c(C(F)(F)F)c1 77287176 INVHIPJJDSPNJY-UHFFFAOYSA-N 563.906 6.553 5 40 KKBB in-vitro Cc1cc(C(=O)Oc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(Br)c2)ccc1[N+](=O)[O-] 100355588 BUWIJVILUFYZLW-UHFFFAOYSA-N 515.272 5.321 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1 100360122 WGBKNRSPEFGKJN-ZVHZXABRSA-N 524.982 6.462 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(Br)cc3)cc12 101058395 DXGXVWOJBPXARL-UHFFFAOYSA-N 557.378 5.650 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1cccc2ccccc12 102921438 XTZMAHWQSRZFEG-PJJLUWSFSA-N 520.589 5.225 5 40 KKBB CCCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)sc3c2)cc1 103754704 ZHCSUAHXXRIRRD-UHFFFAOYSA-N 536.635 6.367 5 40 KKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br 106732376 WNSWLKMXLYFGOV-MTJSOVHGSA-N 561.866 7.398 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150395713 AAICMHZZCCUEFD-FABFSAKGSA-N 672.115 5.774 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 205681168 UEMFEMWOOOGORZ-YDZHTSKRSA-N 603.878 7.225 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 222944991 HPXUWDHUMNTTIJ-AREMUKBSSA-N 588.488 5.701 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223755840 MGNUSVOSKRSYIJ-MHZLTWQESA-N 601.125 5.167 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 224076766 PXTIOXPPJSXTFC-IZZNHLLZSA-N 551.024 6.106 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224223077 BGPCVFGQWVRBQM-JGCGQSQUSA-N 727.667 6.580 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 224784104 BGJACDMPWHVNQJ-URLMMPGGSA-N 594.678 7.017 5 40 KKBB CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 229626043 CBXSBQLRTDYRMY-IZJWOVIGSA-N 585.616 5.975 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 229826562 WBXVQSYZJIZOMV-RWNSGJDNSA-N 620.459 6.213 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261104357 WTEBVZRPDAQPBX-GOXGLGGOSA-N 646.741 5.484 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408563866 BFRQKFBLGRCHLM-ZNCVFPSASA-N 617.294 5.321 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1Cl 408564781 AEVHHYFIKVEYTI-AREMUKBSSA-N 539.057 6.625 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1F 408569907 KFWVKIYZJZNDOV-VWLOTQADSA-N 601.498 6.874 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408571849 PSAIJSPJNQYRNG-RUZDIDTESA-N 652.398 8.041 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408638976 DUXKXCQOPBAMNI-IHMJZKOGSA-N 648.466 5.238 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408641553 CQLOEOKJOXASAC-QYVRTBTHSA-N 626.452 6.034 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Br)cc1 408643110 OSSRMBFKZFHWCV-UHFFFAOYSA-N 577.174 5.200 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@H]12 408719514 FMRLWFBDFREYPB-MPCVTRCCSA-N 536.584 5.709 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 408834068 SVSLZLFTRBFARR-QARYAGPDSA-N 686.943 5.841 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)ccc1Cl 409155891 DVVVFEIFTIXYIE-LSHDLFTRSA-N 612.960 5.410 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1Cl 409172478 IVMJFSQZCPSAJO-LSFURLLWSA-N 670.847 7.805 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 409188231 BWYNAEFWTAOGJF-RGVLZGJSSA-N 520.872 7.300 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 409192952 GLLXEMGQOPRXMX-QUNTYYFUSA-N 751.674 6.737 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 409236334 DZUYXVMYCGKJTG-YDZHTSKRSA-N 598.431 5.620 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1Cl 409272325 YDYKPWVAUMDLCR-LSFURLLWSA-N 686.846 7.505 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1cccs1 409276264 ZQVOOASMQGJCAJ-NLTKXKDSSA-N 614.749 5.142 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)o1 409329509 DUNQRWJGAMEKEH-RGVLZGJSSA-N 558.366 5.301 5 40 KKBB CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)Nc1ccccc1-2 2743286 TVNCKHWMMOJNKG-QHCPKHFHSA-N 524.002 7.146 5 40 KKBB COc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(Cl)cc3)c3ccc([N+](=O)[O-])cc3)o2)cc1 7060412 VYNWWPUMHYGQDS-UHFFFAOYSA-N 510.959 5.632 5 40 KKBB O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12 95537874 RIVZUHBWXRGVOG-UHFFFAOYSA-N 785.675 9.632 5 40 KKBB world O=C(COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 100347584 FKOMUDJLVJPNLQ-UHFFFAOYSA-N 617.839 8.058 5 40 KKBB COc1ccc(CCn2c(-c3cc(OC)c(OC)c(OC)c3)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1OC 102581399 CJZVLLGDGRUDAW-UHFFFAOYSA-N 623.456 5.218 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)o1 103791126 DBANEBZAVVIMSJ-UAMLYEQYSA-N 563.610 5.934 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105313513 ONWXAMUVWMDSPJ-UHFFFAOYSA-N 567.425 5.288 5 40 KKBB Cc1c(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc2n1Cc1ccccc1Cl 106727150 DIEPSNRBBXTOPC-QFEZKATASA-N 517.994 6.796 5 40 KKBB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1Cl 150459755 HQROIZNZRQTAJB-KRWDZBQOSA-N 688.136 6.147 5 40 KKBB O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 163306718 QUVDOTWIGASXCW-IVQFASICSA-N 729.450 7.331 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OC(C)=O 163765720 UFXDKIBFSFWXOI-PIXWUVMMSA-N 646.519 5.313 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 215263096 BNLDQEANJDSARO-FSJBWODESA-N 621.868 7.364 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223319326 INBDFKVJTUMUKQ-NEKDWFFYSA-N 533.694 5.691 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224415109 REGMPSNPWRTHJP-AREMUKBSSA-N 584.536 5.757 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 229859187 JSYSUCVPWDEWLW-CILKRHGOSA-N 576.008 6.104 5 40 KKBB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 239432909 WWDNHBZCYPEPSQ-WFDFDODZSA-N 516.937 5.931 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260877629 BKMCWKHTTAUJOO-UUWRZZSWSA-N 689.234 6.533 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260982622 LOXCRAAHGWMQAS-PGUFJCEWSA-N 733.287 6.768 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408564431 CUAYVHXHPPZODH-USCUKXROSA-N 568.457 6.026 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 408573592 TXIGWPVKBKGDEE-VWLOTQADSA-N 617.953 7.388 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C(=O)O)n[nH]1 408632776 SJMIJZRKWHWODP-JAIQZWGSSA-N 512.931 5.828 5 40 KKBB O=C(O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408634392 QPIYTWVCBYAGOI-ZDLGFXPLSA-N 503.323 6.165 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)CCCCCN2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408645676 AIMXXGVCXYCVFE-HCOICLPRSA-N 608.478 5.696 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408783976 PTSVWDGNRGBIBO-FABFSAKGSA-N 666.643 5.683 5 40 KKBB O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=C1/N=C(c2sc3cc([N+](=O)[O-])ccc3c2Cl)OC1=O 408838124 CFJDYNYRLKUGLI-MRVXSSNZSA-N 609.841 7.189 5 40 KKBB CCOc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408840370 BAVGBJCOIFOJSA-YBFXNURJSA-N 583.405 7.079 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)cc1 409095953 BXOLPEYRWZKPKC-DHRITJCHSA-N 642.484 6.019 5 40 KKBB COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409179762 SFBPCOFRBXUFOQ-UHFFFAOYSA-N 621.385 6.543 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409190899 AXPZKCNELOBREU-SRZZPIQSSA-N 527.898 6.198 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 409326088 GOKCHLMSFZWXMV-UHFFFAOYSA-N 537.981 5.875 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409330740 LTIIZJZNBXBTOM-DHRITJCHSA-N 615.586 7.213 5 40 KKBB CCOC(=O)C(CCCCCCCCOc1ccc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)OCC 59663792 VLABVIUXOVYKSJ-UHFFFAOYSA-N 591.701 7.693 5 40 KKBB Cc1ccc([P@](=Nc2cc([N+](=O)[O-])ccc2Br)(Oc2cccc3cccnc23)C(C)(C)C)o1 96022801 KPOWJJRDTXTEIB-XIFFEERXSA-N 528.343 7.758 5 40 KKBB O=C(c1ccccc1Br)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1 100102058 BRLDXUXNLVCLNP-UHFFFAOYSA-N 529.822 5.585 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1cccc2ccccc12 100360052 GOBUAYNRUDCHNM-JVWAILMASA-N 619.493 7.725 5 40 KKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl 100368441 RLTXPEUMABIRFW-NHDPSOOVSA-N 551.860 7.943 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccc(Br)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2=C(O)C1 101065936 VBHQXDCUONYMSJ-AREMUKBSSA-N 546.421 7.464 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](C(=O)c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101266101 ITRYXDCMWFQUAB-FJUJMQFGSA-N 531.524 5.170 5 40 KKBB Cc1cc2oc(=O)cc(COC(=O)c3c4c(nc5ccccc35)/C(=C/c3cccc([N+](=O)[O-])c3)CCC4)c2cc1C 103083574 STJNOLUPSZFIJT-PXLXIMEGSA-N 546.579 7.100 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCC(C[C@@H]2CCC[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 104479974 QBUVUUDXKYKDED-XKXWHVAQSA-N 538.605 5.954 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106740500 SUBOJGJTODFUHE-AUWJEWJLSA-N 514.151 5.062 5 40 KKBB Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1 107552443 UWGPLXJIKKBOIZ-UHFFFAOYSA-N 584.437 6.494 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccc(Cl)cc1 150385992 GZYIAZDEPOGTMP-WSDLNYQXSA-N 636.851 6.677 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)ccc5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1OC 163289055 SWSJHAPPHGILOK-HWANIQDNSA-N 710.606 6.586 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 164508247 LXXKJODRCXYWIK-FABFSAKGSA-N 757.575 6.315 5 40 KKBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 205757007 QDNZPLLVXJWQLX-QGMBQPNBSA-N 589.342 6.156 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223545059 KASWPTPXGXFBDJ-IDISGSTGSA-N 554.112 6.036 5 40 KKBB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224402383 RDHABWCCCSPNRV-VWLOTQADSA-N 607.516 5.040 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224761140 ZYFDWJUTVMPJGP-SFHVURJKSA-N 504.052 5.348 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225401381 RDAPVCBWEVRYQA-MHZLTWQESA-N 554.112 6.038 5 40 KKBB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 225678715 UUKIQEWHIDCXAA-RRPNLBNLSA-N 543.605 5.260 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261012701 GZQYLQHLSNMCDY-UKJJDJLKSA-N 646.741 5.484 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408564929 GMCTUMQBNQZORO-STNVRERYSA-N 542.419 5.493 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1C 408574455 UVNDIAGINRPZMJ-LJAQVGFWSA-N 603.542 7.797 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408576509 XNVSLCUXPZAKEX-RUZDIDTESA-N 668.397 7.741 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(OC(=O)c2cccs2)cc1 408639059 FAEZZSHJPSKCNZ-UHFFFAOYSA-N 693.304 7.025 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408644364 RAPARFGMTNINCL-UHFFFAOYSA-N 728.155 8.844 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408687506 UNAYEICIYKAYQW-SNINSWTHSA-N 703.533 6.161 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408755843 POPUADYJMHPVER-XFPFAXQNSA-N 707.761 5.449 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408845029 XPUULXMZIJIZMX-PNZYDNNZSA-N 799.949 6.095 5 40 KKBB O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1c2ccccc2cc2ccccc12 408847698 UEDQWJALJQDWJC-FYJGNVAPSA-N 518.819 7.968 5 40 KKBB O=C1S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1Cc1ccc(Br)cc1 408875810 HTTHLKZGYNIWHX-NHDPSOOVSA-N 594.270 7.480 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409099303 KYVGFJJJGYRKCQ-ASZNLBCTSA-N 653.613 6.470 5 40 KKBB Cc1ccc(COc2ccc([C@@H]3N(Cc4ccccc4)C(=O)c4cc([N+](=O)[O-])ccc4N3Cc3ccccc3)cc2)cc1 409109354 CBKUTBOLHRFPHI-DHUJRADRSA-N 569.661 7.844 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409149905 VDCIQIVUWSLFHY-MTDXEUNCSA-N 618.668 5.084 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1Cl 409183447 SCRVKWROVWPKII-LSHDLFTRSA-N 568.951 5.932 5 40 KKBB Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)OCc3cc(=O)oc4ccc5ccccc5c34)c12 3278647 TYCFQAJGXQOFPL-UHFFFAOYSA-N 543.604 7.074 5 40 KKBB CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1ncnc2sc3c(c12)CC[C@H](C(C)(C)C)C3 6600334 BNFSJQGIPFEEHA-HNNXBMFYSA-N 544.699 6.279 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 19855938 FDCYRPURSNYNKE-UHFFFAOYSA-N 501.564 5.551 5 40 KKBB COc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 59331589 KQZCZIRWIISNFN-UHFFFAOYSA-N 517.567 5.139 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4[N+](=O)[O-])sc3c2)cc1 59474804 SONATISKEFWLPS-UHFFFAOYSA-N 520.636 6.485 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2C2CCCCC2)sc2c1CCC2 100817248 NYZVCWNOMZJRSE-UHFFFAOYSA-N 626.761 5.388 5 40 KKBB CC(=O)c1c(C)oc2c1cc(N(C(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc3ccccc3c1)c1ccccc12 101057410 QTTVEARTFJHJMN-UHFFFAOYSA-N 578.602 7.194 5 40 KKBB COc1cc2nc(SCC(=O)c3ccc(Br)cc3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 101307879 KXZBBKFRHDFNOC-UHFFFAOYSA-N 580.420 5.607 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103551349 UBLRONAYKDNJFH-CDACFMRSSA-N 555.590 5.759 5 40 KKBB Cc1cccc(C)c1NC(=O)CSCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 103773802 ZGPBGGYWUNXBRH-UHFFFAOYSA-N 595.728 5.863 5 40 KKBB O=c1/c(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 103913585 GWVNMUAKIOPTQO-KEPJHFNWSA-N 600.483 6.794 5 40 KKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3)nc2c1 104221692 RKCCVTCMFJPWNM-UHFFFAOYSA-N 556.825 7.848 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1sc2cc(Cl)ccc2c1Cl 105430522 PATNTNMWWIZBLB-UHFFFAOYSA-N 529.858 5.607 5 40 KKBB Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1 113563316 ZZOJCORRJXOLKZ-ZWMLJNOUSA-N 606.660 5.737 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccccc1Cl 163916145 ZXENXYJPYPDBLG-ZJTZAHLKSA-N 665.080 5.459 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c2=O)=N1 164182296 AXWHKFZRHYDLHG-QQMBNGEASA-N 722.614 5.845 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223953141 UYOAUCRLHICODP-AFMDSPMNSA-N 588.488 5.844 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223956605 UAMYXHINBIMESS-HXUWFJFHSA-N 696.020 5.467 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224558945 NJSSHKSSEZPMEZ-HKBQPEDESA-N 697.641 6.652 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225673666 HDOFYYSAPKOVLG-NFQMXDRXSA-N 635.570 5.819 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 226517158 VQVOKINOJHJTMS-RVHBYUFBSA-N 598.995 5.638 5 40 KKBB CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)/C=C/C=C(C)/C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C 299888678 SZCBXWMUOPQSOX-GWZJRGQLSA-N 600.884 8.970 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(F)cc1 408566787 GDGTYFFAGBVXON-QFIPXVFZSA-N 551.402 6.850 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(C)cc1 408567681 HCRSNTRCAHFPPL-AREMUKBSSA-N 522.602 6.111 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)cc1C 408570393 LIPMOYNAFXDPPQ-VWLOTQADSA-N 543.476 7.188 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(Cl)cc1 408686534 RSAUNQLYVMHNMC-UHFFFAOYSA-N 779.417 6.835 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408770462 XTTCPMLPMXVQDW-HWMKKPCCSA-N 729.005 5.719 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)c1 408787392 ZHRYEXZEUYUXJN-MRWVFDTMSA-N 575.646 5.804 5 40 KKBB O=C1S/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916270 ASJQKAANUMXUFD-ZMOGYAJESA-N 503.967 6.488 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4c(C)c4ccccc34)c(=O)n2[C@@H]1c1cccc2ccccc12 408919660 ZVLLVDZAQPZXHE-WXKAHTKJSA-N 568.698 6.566 5 40 KKBB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409014781 JNBNSUPQGOLNKX-DJKKODMXSA-N 507.362 5.390 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409031921 BMGJHPYIXIYEHV-GAPLDZIPSA-N 796.649 5.007 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C(c1ccc(C)cc1)c1ccc(C)cc1 409039249 CBPYPSKATHJMJJ-ZVBGZEEKSA-N 506.558 5.644 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409090052 OIICZPBOPBSPEG-FQWZWQHVSA-N 730.622 5.556 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409101234 SFRPFVJJIMUMGE-AYMIJMNYSA-N 697.820 5.521 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409132252 PDBQYUUMYXOCKC-LPYMAVHISA-N 517.003 6.452 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)ccc1Cl 409151979 IKMDYMBERRFTIS-VULFUBBASA-N 640.070 6.078 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc(Cl)c1 409169317 PJTATSCIAMNPAU-JJFYIABZSA-N 602.850 6.265 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 409188671 JMVJTYQNNZGRRN-GNZKFENCSA-N 807.354 7.714 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)c(Cl)c1 409193202 FEUQMJCCZJABQP-FBHDLOMBSA-N 639.336 7.490 5 40 KKBB O=C1N/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 409200552 MNDDKDNQOISQBP-WOJGMQOQSA-N 562.298 6.261 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(Br)cc3)C2=O)o1 409402929 XRDUDGQFMYTMGQ-NVMNQCDNSA-N 590.770 5.062 5 40 KKBB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1[N+](=O)[O-] 1860191 JCPXIYJWNCUOST-UHFFFAOYSA-N 505.324 5.921 5 40 KKBB Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3cc(Oc4cccc(C(F)(F)F)c4)cc([N+](=O)[O-])c3)nn12 2056194 SUENKQAPRFUFTP-UHFFFAOYSA-N 533.466 6.676 5 40 KKBB O=C(Nc1ccc(C(OC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3206400 NEBXIIGONOVISV-UHFFFAOYSA-N 557.359 5.932 5 40 KKBB CCOC(=O)c1ccc(NC(=O)c2c(NC(=O)c3cccc([N+](=O)[O-])c3)sc3c2CC[C@@H](C)C3)cc1 22079131 JQUZKNCNIDQNNY-OAHLLOKOSA-N 507.568 5.462 5 40 KKBB Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c2c1 97948710 NOPYYEDIGATLNC-UHFFFAOYSA-N 597.421 7.713 5 40 KKBB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 98005237 BLZKLVQHFDCCFS-UHFFFAOYSA-N 578.071 7.123 5 40 KKBB CN(c1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCCC1 101658587 LLKZGKHPZYLOKV-UHFFFAOYSA-N 535.510 7.132 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 102887741 QBNRBOVWXWPHPX-UUQNIDNHSA-N 559.553 5.590 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 103570243 ARFPDNHPVKDBPQ-GQPDOWDHSA-N 541.563 5.451 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1cc(Cl)ccc1Cl 103629794 KJIGLHCJMJQRKW-MKFPQRGTSA-N 561.425 5.117 5 40 KKBB CC(C)C1=CC=C(C2=NN(c3ccccc3)[C@@]3(SC(c4ccc([N+](=O)[O-])cc4)=NN3c3ccccc3)c3ccccc32)CC1 103768778 VHGMPCQPLYGMQR-BHVANESWSA-N 597.744 8.847 5 40 KKBB CCCCCOc1ccc(N2C(=O)CS[C@]23C(=O)N(CN2CCN(c4ccc([N+](=O)[O-])cc4)CC2)c2ccccc23)cc1 104164445 VEYLUNCXYALWFP-JGCGQSQUSA-N 601.729 5.223 5 40 KKBB CCOC(=O)CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)OCC)c5C)C([C@@H]1C[C@@H]1C(=O)OCC)=C4C)c([C@@H]1C[C@@H]1C(=O)OCC)c3C 150466056 SZFUVYIMWPLZNC-ZRTHHSRSSA-N 790.958 8.498 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 163751087 HFGGCGSMJACMEX-ZSJKCPIUSA-N 695.504 5.178 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215021658 UQVDLGLQWNEWAF-SSDVNMTOSA-N 515.374 6.717 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223974360 TUUDPDNFZQTYEN-UTONBFNKSA-N 658.777 5.354 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224628816 KONWDBOOSYMJNX-FQEVSTJZSA-N 651.569 5.356 5 40 KKBB O=C(O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224783427 HROXHLDEYWSGDY-FQLXRVMXSA-N 593.690 6.807 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224907579 XVODGNSFEBMTRS-WJOKGBTCSA-N 649.169 5.608 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 224996355 XRKPKUZKKZJGGD-WDYNHAJCSA-N 573.122 6.847 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 225556338 HNOVCIIFCOQVOE-IZLXSDGUSA-N 540.649 5.344 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 408577777 ZVYHTGBLFZJKJG-VWLOTQADSA-N 587.471 6.565 5 40 KKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704566 PROFXGDHAGYMRV-HSZRJFAPSA-N 502.379 5.928 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408733777 QMFSNENEHRBMLU-QUNTYYFUSA-N 664.523 6.842 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733962 TVKWIBQZJXKZHC-YVLHRROSSA-N 723.783 5.851 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408757688 OVBBGARAEFBVDW-PNQAETMRSA-N 711.550 6.699 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408815118 ROSYVLHDVNSWEZ-HMAPJEAMSA-N 602.406 6.418 5 40 KKBB O=C(COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)Nc1cccc(Cl)c1 409131667 KBWBVOJYHVQQPB-PGUFJCEWSA-N 633.104 7.627 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409140857 GINBXFNDOSQTRZ-UHFFFAOYSA-N 557.934 5.418 5 40 KKBB Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4Cl)n3C)n2)cc1[N+](=O)[O-] 409166156 CWMXDGUZAQWJIO-UHFFFAOYSA-N 535.438 5.860 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O 409180872 SZOZYBWJVROVNF-HHHXNRCGSA-N 565.494 5.393 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccccc1Br 409335684 LMLBQLBACQDNID-UFFVCSGVSA-N 701.271 7.606 5 40 KKBB O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2N(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2)cc1 575421796 RRINXLRWMNWQCP-MEKGRNQZSA-N 600.697 5.373 5 40 KKBB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)c3ccccc3n2)cc1 2762288 LGOKTUHHZXEQHX-UHFFFAOYSA-N 552.970 7.604 5 40 KKBB Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=N2)C=Cc2ccccc21 3290151 XQMWDZOOCNIPRD-RUZDIDTESA-N 502.361 7.062 5 40 KKBB CCCc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)N2C=C(Cl)C=C(Cl)C2=N3)cc1 3309927 CQVGLFRCDVGBOS-MUUNZHRXSA-N 556.453 8.052 5 40 KKBB O=[N+]([O-])/C=C/c1cn(CCCCCCCCCCCCn2cc(/C=C/[N+](=O)[O-])c3ccccc32)c2ccccc12 5741834 BAZKSHGYXFPJBS-BLVCXSLXSA-N 542.680 8.692 5 40 KKBB O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)Nc5ccc([N+](=O)[O-])cc5)cc4c3c2)cc1 5942052 GOKCSDKPBISOCO-UHFFFAOYSA-N 568.545 5.004 5 40 KKBB CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2[N+](=O)[O-])C(=O)[C@@H]13 35851997 YGUPHSYJUKWQMM-CPKLCFQYSA-N 520.626 5.610 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N(C)C(c1ccccc1)=N2 102940953 FEIKEYSLCAVETK-LDLOPFEMSA-N 541.552 5.433 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1Cl 214408124 ITAWOPXYYZLBKP-ODCIPOBUSA-N 648.240 8.712 5 40 KKBB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223059746 DAOOUHSSLSBREM-LJQANCHMSA-N 681.993 5.076 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223805442 SNCOCXHJHQJOEK-FQRUVTKNSA-N 552.469 5.455 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224306669 GLWBOZYVAVIQTB-MGBGTMOVSA-N 676.767 5.413 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Cl)cc4)o3)cc2)cc1 224786091 QEISKDDGZXMSOJ-WDYNHAJCSA-N 585.110 8.232 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225037231 CMRKELSHYHJCQY-SANMLTNESA-N 574.530 6.300 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(F)cc1 225604098 DBGLXARVGREVRO-IZZNHLLZSA-N 531.569 5.390 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 229623080 QOTPHVVLIPXXEX-GYPIRZFJSA-N 610.453 6.883 5 40 KKBB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@@]4(C)[C@@H]3CC[C@]12C 257349436 OCFIZNAHQQAOPE-GNAFHDOISA-N 596.809 9.396 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565927 MFCXFKLFQIDFSI-WQWSHVPRSA-N 577.262 5.857 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 408568061 HLQNLGOKJFJAAG-XMMPIXPASA-N 593.920 7.624 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408570612 LNYKSOWMYWPROJ-VWLOTQADSA-N 541.029 5.935 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408637586 AMVVPDLQYNNTCH-UOIPHLHCSA-N 666.128 5.590 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408644322 QXYGOPKGDQZTKS-UIOOFZCWSA-N 573.989 5.622 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)C(=O)[C@H]23)cc1 408764325 TUCUXLUFYWZUPL-HHFQULNPSA-N 738.796 8.468 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)S2)cc1 408776627 XRPXQLLBCVZODK-ARLGEPFESA-N 526.014 5.998 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 408924800 RGFKGOKZZSMYSX-OIUASMPBSA-N 638.771 5.820 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1CCCc1ccccc1 409144110 DOCJVBIKTQLIII-LFVJCYFKSA-N 600.434 6.448 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)ccc1Cl 409161872 BMBOMRCCSJVMMH-WYMPLXKRSA-N 641.014 6.191 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)cc1 409203640 YEOGMHNKEDGKTP-AFUMVMLFSA-N 547.589 5.420 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409204026 BUFLKWZALUUPCU-WGOQTCKBSA-N 642.612 5.800 5 40 KKBB CCOC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4C)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)sc2c1CCCC2 950926 GAKOOUXIFVPRHC-GVAUOCQISA-N 561.616 5.071 5 40 KKBB CCCCn1c2nc3cc(OCCC)c(OCCC)cc3nc2c2cc(Br)cc(Br)c21 1831303 HVZXEEDPWIJBHV-UHFFFAOYSA-N 549.307 7.640 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(C)(C)c3ccc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)cc2)cc1[N+](=O)[O-] 3143185 XTLQGPLJQSKDPG-UHFFFAOYSA-N 554.555 6.884 5 40 KKBB CCOC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCC2 6142691 NNLDIYUYZYYOEW-UHFFFAOYSA-N 550.014 5.028 5 40 KKBB O=C(CCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Cl)c(Cl)c1 9543559 GHVWRKLYFGBLKJ-UHFFFAOYSA-N 517.321 5.839 5 40 KKBB O=[N+]([O-])c1ccc(S(=O)(=O)N=P(Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1 11027063 GZDIVNWCVKQEKP-UHFFFAOYSA-N 504.548 7.085 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(Cn5nc(C(F)F)c(Br)c5C)nc34)c12 97945587 LLZBCPJYICSKPW-UHFFFAOYSA-N 532.296 5.468 5 40 KKBB Cc1ccc(NC(=O)[C@H](OC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2)c([N+](=O)[O-])c1 102849208 UKXHALDCKZKXIG-MUUNZHRXSA-N 548.555 5.198 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1c(-c2ccccc2Cl)noc1C 102872750 HQYSAYOHKQFWPE-CDSHQWRTSA-N 586.048 5.689 5 40 KKBB COc1ccc(/C=C2/N=C(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 103133840 PWZAXWZSSKRCOU-DXRSZSRVSA-N 597.049 5.778 5 40 KKBB Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccccc2)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 103558041 WKTLZZXWTWDBJT-HEFUCBFLSA-N 555.590 5.759 5 40 KKBB COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103627329 ZMIHIEGLVVBBGF-JCUDBWTNSA-N 571.589 5.460 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n31)c1ccccc1CC2 104654849 QIQJBYDLGYWUJC-UAMLYEQYSA-N 596.064 6.149 5 40 KKBB O=[N+]([O-])c1ccc(C2N(Cc3cn(-c4ccccc4)nc3-c3ccccc3)CCN2Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 150471741 GXSAVSKTPMHVLU-UHFFFAOYSA-N 657.778 8.317 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 197764090 YEJCNYBXIVNJRE-JOCHJYFZSA-N 634.571 6.494 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 205872702 XZHMGMXQCZPPTE-CIAFOILYSA-N 565.526 5.463 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(I)cc1 215193402 WTNPILSOLFSVEY-SRZZPIQSSA-N 626.350 7.247 5 40 KKBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224357976 LQFQDMAQAJQTOB-HXUWFJFHSA-N 621.543 5.286 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224997546 HMQWQTFAFGVCHV-DHUJRADRSA-N 763.711 6.569 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225464665 ZAVHUZLBDLOHDO-UMSFTDKQSA-N 723.679 7.186 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4Br)C(=O)[C@H]23)cc1 253564119 GEDAZBQQEHNXOF-BMPBIMJCSA-N 709.596 8.163 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260938945 ILDGZJKSBCHJGV-KCWPFWIISA-N 659.205 5.791 5 40 KKBB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1 408526736 ASTNCVSRQVLRBN-UUWRZZSWSA-N 618.715 7.378 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408564397 CMUZECKZIBMNGH-ZVFGGPEJSA-N 612.908 6.135 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)c(Br)cc1OC 408565438 BWIIZRGGJSOUEU-FQEVSTJZSA-N 507.410 5.164 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)c1 408571534 OWDJCTQJJBKZCU-DEOSSOPVSA-N 512.994 6.366 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 408575920 XASPPWYNIYVDFT-HHHXNRCGSA-N 552.628 6.201 5 40 KKBB CCn1c(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408631015 BPXIPYPDWCYRAM-ZVHZXABRSA-N 599.090 6.913 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)c(C)c2)CC1=O 408650343 AXDQSTLUVWNNMF-GFCCVEGCSA-N 831.062 6.721 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 408720732 XSIMOFASIGRPNO-PSQNISHLSA-N 520.585 6.009 5 40 KKBB Cc1cc(Br)c(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc(C)c2C)C3=O)cc1C 408995287 LTCHCZZDPIIDKG-UHFFFAOYSA-N 544.405 7.288 5 40 KKBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OCC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O 409018438 HJAJCTAKHVVOPQ-FVUPAENESA-N 579.425 5.323 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccc(C)cc3)c3ccc(C)cc3)[C@H]2C1=O 409039247 CBPYPSKATHJMJJ-VHRRBUMHSA-N 506.558 5.644 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1 409097603 MPFPJYPAFLICTQ-CFEDROAVSA-N 667.769 5.590 5 40 KKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)cc1 409178191 JKOMXVJKJBDRRE-UHFFFAOYSA-N 573.355 6.307 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O 409188847 GWLOYWPRWMYUOI-KOTFUQRNSA-N 519.307 5.321 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409189597 RDTDLRACNJWFEF-PIXWUVMMSA-N 746.683 7.087 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)c1ccccc1 409224659 MZXIZMVLCIAPGI-QRVIBDJDSA-N 553.390 5.856 5 40 KKBB O=C1c2cc(I)ccc2N[C@@H](c2ccc([N+](=O)[O-])s2)N1c1ccc(Cl)cc1 2085848 BBLZYAOITYHMLV-QGZVFWFLSA-N 511.728 5.685 5 40 KKBB Cc1cccc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c1 9041252 KRLAQUPSWCEILI-LFYBBSHMSA-N 509.303 5.377 5 40 KKBB Cc1ccccc1NC(=O)CSc1nnc2c3sc4nc(CC(C)C)c5c(c4c3ncn12)CCCC5 9237286 OHIJKAJCBPDAOX-UHFFFAOYSA-N 516.696 6.004 5 40 KKBB COc1ccc(-c2n[nH]c3c2[C@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(Br)cc2)C3=O)cc1 20212846 MRUFJBDKRYLCAZ-QHCPKHFHSA-N 505.328 5.506 5 40 KKBB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 33337952 KXUSHXSKBYIWNS-MFOYZWKCSA-N 511.339 5.080 5 40 KKBB COc1cc(C(=O)N2N=C(c3c(-c4ccccc4)c4cc(Br)ccc4[nH]c3=O)C[C@@H]2c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 49625652 UPFXYMVKGHBQBH-HHHXNRCGSA-N 683.515 6.883 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 100070667 BXNQDLCKVQPSKL-WXHPKRHJSA-N 616.673 7.092 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc5c(c4)OCCO5)C3=O)cc2[N+](=O)[O-])cc1 100368595 VKMRREWVKJNAEW-CFRMEGHHSA-N 563.613 5.501 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H](c5ccccc5)[C@H](C4)[C@H]3C2=O)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 101974388 LEJPFFYPVREWFB-JMSIMLTJSA-N 616.626 6.356 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 102754668 WVLGEHNEHBKCGS-GVAUOCQISA-N 550.354 6.213 5 40 KKBB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 102928442 FIDAJOKZORRRTG-VTOXPCGFSA-N 609.642 8.155 5 40 KKBB CCCn1nc2ccccc2c1[P@@](=Nc1cc([N+](=O)[O-])ccc1C)(Oc1ccc(Br)cc1)C(C)(C)C 102940773 RVDBKKHTRIPIMW-PSXMRANNSA-N 569.440 8.376 5 40 KKBB C=C(NCC[N+](CC)(CC)Cc1ccccc1Cl)C(=C)N(C)CC[N+](CC)(CC)Cc1ccccc1Cl 105343721 BQOUQQNSWHNDFK-UHFFFAOYSA-N 547.659 6.956 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 150506919 MSBINTTVNWPQSB-VPHSIRQSSA-N 628.479 6.389 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N[C@H](c1ccccc1)c1ccccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 215922195 WAEZTZJRDQTMBJ-SSEXGKCCSA-N 594.089 5.975 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223855700 RHYYLDDNVRUECO-CCLHPLFOSA-N 588.557 6.690 5 40 KKBB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C 224769502 RHDOUGZMIMVBPG-FTJBHMTQSA-N 515.664 6.273 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 225282557 SXOSVCMRRUTNPU-HKBQPEDESA-N 620.772 5.067 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225315510 RJUXONZMFDBHSC-MUUNZHRXSA-N 533.694 5.693 5 40 KKBB CC1=C(/C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)CCC1 256116075 DMASLKHVQRHNES-OQVLLIKBSA-N 552.887 11.577 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccc(F)cc1 408564965 AUPYDTVEMUGWTD-HSZRJFAPSA-N 561.408 6.306 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1 408569135 IYOCXXJHYIHKKV-HSZRJFAPSA-N 607.889 6.828 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F 408570868 MBYJRQQUACWJNS-XMMPIXPASA-N 621.916 7.219 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408734434 YDJPPOSFFGGKOG-AWPXEQHHSA-N 731.139 6.116 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408773599 VNINOYRFXDPHRQ-ANHNRMLZSA-N 682.802 6.970 5 40 KKBB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)S1 408803635 RLPWQJIDDRYCKJ-UHFFFAOYSA-N 519.784 6.342 5 40 KKBB COc1cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 408805293 FWXLTPORPKFOJK-VQJIMCDUSA-N 558.680 7.236 5 40 KKBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 409066723 BHUFQBUCANENPA-LBFZPMSMSA-N 511.339 5.078 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1 409086252 GONVAZUBUNTXHM-RYOBIWAXSA-N 629.764 5.551 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409142725 CYUIOJTVJFMSLU-JVWAILMASA-N 672.638 6.316 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)ccc1Cl 409157217 QJBILMJKRNYYKT-JJFYIABZSA-N 618.476 6.514 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409179029 JKPSSFLJSZFVOB-UHFFFAOYSA-N 591.359 6.534 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409230120 BOMAEONYFMHPKI-DHRITJCHSA-N 642.484 6.019 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(F)c(F)c1F 409270960 SGFLZAJUBXMTPN-UFWORHAWSA-N 676.345 7.261 5 40 KKBB CCOC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 979956 HIEVCINZWJAEQO-MFOYZWKCSA-N 511.339 5.080 5 40 KKBB C[C@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3340931 RAGUHFJLSRBBFO-NSHDSACASA-N 590.800 5.679 5 40 KKBB Cc1ccc(C)c(NC(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2cccc(C)c2C)c1 11852490 DIFDODYNSIFNJR-UHFFFAOYSA-N 544.637 5.070 5 40 KKBB CCOc1ccc(N=[P@@](Oc2cccc(Br)c2)(c2ccc(C)o2)C(C)(C)C)c([N+](=O)[O-])c1 21487136 GYXJJLSMDMRONT-JGCGQSQUSA-N 521.348 7.608 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 33353225 BIIYWHLOULXKJD-GMQJOBGYSA-N 662.698 6.801 5 40 KKBB Cc1ccc2[nH]c3c(cc(NCCN4CCN(Cc5ccccc5)CC4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 101009336 OWJQPPZUWSUIOB-UHFFFAOYSA-N 544.655 5.479 5 40 KKBB Cc1ccc(S(=O)(=O)c2cc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2OC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 102139937 HHBISNUCKDBXFS-UHFFFAOYSA-N 590.566 5.699 5 40 KKBB CCOc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc(Cl)cc3Cl)C2=O)c1 102762980 YAXQSZGROMJYRA-RJGXRXQPSA-N 528.348 5.351 5 40 KKBB CCOc1ccc(/C=C2\CCCC3=C2N=c2s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n2[C@@H]3c2ccc(OCC)cc2)cc1 102975378 DCAYBBNFLNYKAP-YGCZSEDJSA-N 593.705 6.188 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)cc1 105314920 JIZIRXBPKLNEEO-UHFFFAOYSA-N 545.665 5.872 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Br)[C@H]1[C@@H]([C@@H]3[C@@H]2C(Cl)(Cl)C(Cl)=C(Cl)C3(Cl)Cl)C(Cl)(Cl)C(Cl)=C(Cl)C1(Cl)Cl 150377882 ZKRPKVLLGLFBDB-JXUBOQSCSA-N 773.591 10.872 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccccc1F 214986174 NYMYVCVAFXNWSJ-WSDLNYQXSA-N 620.396 6.163 5 40 KKBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224333034 QLTLDVYJYRIWTN-XMMPIXPASA-N 651.569 5.357 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224722439 VWLQMOVLEGKVPK-SANMLTNESA-N 679.623 5.994 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 224792977 OLVZJVQJYOBEEB-WDYNHAJCSA-N 595.662 7.486 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224930095 SHORFIDJKSIEHU-LJQANCHMSA-N 686.014 6.011 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 225558038 AJDVFJUHNSVZRV-WUFINQPMSA-N 541.633 5.814 5 40 KKBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 229766808 OKFBKUZRCISHQN-RTBSUHMLSA-N 537.403 5.887 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261011784 SPKCTWIQPQRETO-MGBGTMOVSA-N 690.794 5.801 5 40 KKBB COc1cc(CNc2ccc(Br)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408558823 WFXFLCXVXQTFLE-UHFFFAOYSA-N 556.638 6.973 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 408569620 JWMRWOUWPRZMOF-VFICKSILSA-N 525.964 5.025 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 408574501 UZFKWTZJPODBLU-DEOSSOPVSA-N 557.445 6.475 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408577153 YPOYDZHWVNBALY-RUZDIDTESA-N 577.465 7.109 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408631866 GWBLWGCWMMDPFC-UCQKPKSFSA-N 552.565 5.377 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408752051 FACWATWAJFLWTE-PRLWALMFSA-N 682.549 5.526 5 40 KKBB Cc1cc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(C45CC6CC(CC(C6)C4)C5)cc2)C3=O)ccc1Br 408754884 AHBHZQTUVOXICI-UHFFFAOYSA-N 621.531 8.754 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408776895 SCNRIFORSJVDJR-QZVQSRICSA-N 728.248 6.807 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 408910787 KWDUXHIMVVWABE-DUCIMOQJSA-N 679.751 5.846 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409042881 DIFURXKUOBXSAM-LMWPEEHHSA-N 939.519 5.445 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O 409192653 DKJYSYJCPDUJHQ-NSFNGMEESA-N 598.203 6.083 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(F)cc1 409193056 HQAFASMRQXHMBX-RGFRMHDHSA-N 705.193 5.929 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccccc2Sc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409263167 HTCOMLLURQHDRQ-UHFFFAOYSA-N 563.657 5.897 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C 409343267 DSCUDSQWQHGVFD-FQEVSTJZSA-N 585.901 6.024 5 40 KKBB COc1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3c2=O)cc1 1807440 GLTSUVZRLXUVJE-UHFFFAOYSA-N 535.814 6.394 5 40 KKBB CC(C)OC(=O)c1c(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc([N+](=O)[O-])cc2)N3)sc2c1CCCC2 1811159 UYTIPFIXSXUXHB-PXNSSMCTSA-N 577.585 6.209 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1C 2442223 BWDRDOSNSZEOJJ-UHFFFAOYSA-N 512.547 6.407 5 40 KKBB Cc1ccc(-c2nc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)c3c(C)c(C(=O)O)sc3n2)cc1 3358756 SEQRWCLTLJWMEX-UHFFFAOYSA-N 509.565 5.740 5 40 KKBB O=[N+]([O-])c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 4558650 WXJZOZBMOPJKOC-UHFFFAOYSA-N 578.628 10.110 5 40 KKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 29493023 MBJLGIWZZGKDOX-MTJSOVHGSA-N 500.960 6.775 5 40 KKBB CCC(=O)N1CCN(c2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2Cl)CC1 57315736 DSZSKTOMJZWMEH-UHFFFAOYSA-N 507.399 5.427 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@H]2[C@H]1c1ccc(Br)cc1 97982713 OOCCWTBJFYDRNB-GWJVZLEGSA-N 629.736 8.210 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)cc2)cc1[N+](=O)[O-] 100351261 DHYMXRZVUVWDFC-WSDLNYQXSA-N 528.539 5.047 5 40 KKBB Cc1ccc(S(=O)(=O)c2c(NC(=O)/C=C\c3cccc([N+](=O)[O-])c3)n(CCc3ccccc3)c3nc4ccccc4nc23)cc1 102411584 YRAWSVOCISSXFZ-MNDPQUGUSA-N 617.687 6.529 5 40 KKBB COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(O)c(c3CC[N+]1(C)C)Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3C2 104266581 AREGKUNAFUCJDG-ACHIHNKUSA-O 638.805 7.149 5 40 KKBB CC[N+](CC)(CCO[C@@H]1Cc2cccc3cccc1c23)CC[N+](CC)(CC)CCO[C@@H]1Cc2cccc3cccc1c23 104451677 IISJKVHXEUKMHD-LQFQNGICSA-N 566.830 7.634 5 40 KKBB CCCc1ccc(C(=O)N2c3ccccc3[C@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3)C[C@@H]2C)cc1 105513457 SQGFWLDELGHQIA-SMSORMJASA-N 624.162 9.243 5 40 KKBB CCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)c2)cc1OCC 108579107 MBTSGTIEMMBDQJ-UHFFFAOYSA-N 533.566 5.415 5 40 KKBB C[C@H](NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]2CC[C@H]1C2 108884033 YWTZHPUSGYJAHZ-ULMVMLMRSA-N 570.893 5.147 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 214899642 JFZDRPJSVDAYFX-ZVHZXABRSA-N 535.534 5.717 5 40 KKBB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224767129 XOUBCZAUDFGDKJ-IHLOFXLRSA-N 563.708 7.417 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225268464 LCBCTKFQFOQCPW-RUZDIDTESA-N 649.141 5.233 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 260894848 GVXKXPRCTLUAIW-WJOKGBTCSA-N 620.772 5.067 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccc(F)cc1 408575558 WMXPXRUWUXMVJD-QHCPKHFHSA-N 509.519 5.312 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)c1 408769540 NPXWXFIGOHKSTM-QQMBNGEASA-N 790.490 6.895 5 40 KKBB Cc1ccc(-c2sc(NC(=O)c3cccc(Br)c3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408825158 ALLUYLYBJIEEMC-UHFFFAOYSA-N 508.397 7.017 5 40 KKBB O=c1/c(=C/c2ccc(Sc3ccc(Cl)cc3)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408839594 UPKLOXMPXNYNNV-FQWZWQHVSA-N 598.105 6.625 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 409030171 CPKPPCPWHMQAEV-CRCYZHLCSA-N 608.072 5.407 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccccc5[N+](=O)[O-])C(=O)[C@H]34)c(=O)n2[C@H]1c1cccc2ccccc12 409040420 IACXQXUIHUNIOW-QQGWEUGNSA-N 772.839 6.062 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c2=O)=N1 409043687 ZBAXGHVTXOMXAP-ZHMJVLCISA-N 803.735 8.383 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]32)c2ccc(OC)cc2)cc1 409048174 QWGFGXMZLLOUBN-TUJIQRHUSA-N 542.975 5.689 5 40 KKBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C 409125184 JJBBEYWGAPCLRA-IBGZPJMESA-N 570.981 5.253 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409178135 KSMWPUGTIVEMDT-MFKUBSTISA-N 687.512 6.415 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1 409188760 GEYBIXZJDIWUHT-CCORILLZSA-N 773.655 7.226 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1cccc(Cl)c1 409199235 AIEZCCHYWXJQDD-SRZZPIQSSA-N 592.798 6.673 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409249673 KXBYMGLPCHDNKO-LPYMAVHISA-N 552.381 5.428 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(F)c(F)c1F 409272242 MWGFFQMENYLOTQ-CAOOACKPSA-N 582.310 5.710 5 40 KKBB O=C(Oc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc2c1)c1ccc([N+](=O)[O-])cc1Cl 1770934 HFIRJZMVNVQTCQ-UHFFFAOYSA-N 581.886 8.052 5 40 KKBB Cc1ccccc1NC1=Nc2ccccc2N2C1=Nc1c(c(C)nn1-c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1 2317881 GOEOIRGYQOBJBL-LJAQVGFWSA-N 539.599 7.193 5 40 KKBB C[C@H](OC(=O)c1cc(Br)ccc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3336585 CLLUNBADRJABJO-JTQLQIEISA-N 510.753 5.318 5 40 KKBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nc2cc([N+](=O)[O-])ccc21 6017057 NAXRHMBAKPKSBD-UHFFFAOYSA-N 581.679 7.258 5 40 KKBB O=C(Nc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] 20283338 CAKVQPSLQIYBPE-UHFFFAOYSA-N 520.589 5.395 5 40 KKBB CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2s1 22833833 LBAFXCJABZIHGK-UHFFFAOYSA-N 509.569 5.330 5 40 KKBB CCC1=NN(c2ccccc2)[C@]2(SC(C(=O)c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)c2ccccc21 97951893 PGNGVMNBMGTXFJ-SSEXGKCCSA-N 533.613 6.789 5 40 KKBB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 100612763 RTEYTHQVNOVDTJ-UHFFFAOYSA-N 532.525 6.655 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 101674045 WKIVEZKDGCBOBQ-JMNGKNCGSA-N 597.671 6.649 5 40 KKBB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])n2-c2ccccc2)c1 103000654 AEYQUJGXNWRRLA-UHFFFAOYSA-N 594.719 5.221 5 40 KKBB C[C@@H](NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@@H]2CC[C@@H]1C2 103053722 YWTZHPUSGYJAHZ-AXHMDWHKSA-N 570.893 5.147 5 40 KKBB CCCCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103060457 RTWWHVYTDFRGAQ-KMWKJMJFSA-N 625.725 7.574 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1[N+](=O)[O-] 106721533 TVOSVIPPVLDPPL-JJFYIABZSA-N 579.439 6.214 5 40 KKBB O=C(c1cccc(-c2cc3ccccc3oc2=O)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 110369059 XFKBRALUEYQRGL-UHFFFAOYSA-N 523.467 5.349 5 40 KKBB Cc1cccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c1 113563615 SYMFRJMNEPLATG-NUYBPMMJSA-N 606.660 5.737 5 40 KKBB O=C1S/C(=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 150385336 PAZSSCYLAAOMPM-UFFVCSGVSA-N 767.166 7.926 5 40 KKBB O=C(c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 150441030 WRWDXTPZIZYFOL-CWJACEIZSA-N 672.119 7.394 5 40 KKBB O=S(=O)(O)c1cccc2c1-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1c(S(=O)(=O)O)cccc21 208051715 JFDHZDCTJQMRBB-UHFFFAOYSA-N 674.680 5.363 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(Br)cc3)cc2)cc1 224782539 WDCQPMFUABJSFB-FQLXRVMXSA-N 628.577 7.871 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 229959244 WIXOSKXCILXJHS-CKPORNQBSA-N 576.008 6.230 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 408548722 TYKBHLIUYSANEC-UHFFFAOYSA-N 533.562 5.230 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 408553793 BFTCMSZEUGCNPL-UHFFFAOYSA-N 534.794 5.957 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1ccccc1 408572619 RNBGFNVUXMXLHQ-JOCHJYFZSA-N 533.412 6.711 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Br)cc1 408573550 TUUAWPCRAKRDKK-QHCPKHFHSA-N 652.340 6.938 5 40 KKBB CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC 408576643 XXYVOVNLFUDYBA-GOSISDBHSA-N 527.828 5.509 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Cl)cc1 408645215 HTUALBOHMTWGLK-QYVRTBTHSA-N 592.007 5.381 5 40 KKBB CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408784836 UFBWINPNYZYPIH-BIWBSIMWSA-N 505.596 5.735 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408833588 TUJLHAZDJLQAFO-PLMBTIQCSA-N 674.688 5.203 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5cccc([N+](=O)[O-])c5)c(Br)c4)c(=O)n32)cc1OCC 408937498 QUHVSILUJIAZNH-MKTOWPBFSA-N 729.005 5.719 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408938887 MBDIBYFDQGCSPN-MFCBUNOESA-N 652.523 5.516 5 40 KKBB Cc1ccc(C(=O)O)cc1N1C(=O)c2cccc3c(Nc4ccc(Br)c(C)c4C)c([N+](=O)[O-])cc(c23)C1=O 408999124 WMPDQEPQVBWJOV-UHFFFAOYSA-N 574.387 6.678 5 40 KKBB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409019388 IULNCJYNXAZQEV-OTGIAGGSSA-N 568.389 5.622 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409102623 ZDCSFNDLVIBUHG-DFXMODJXSA-N 652.729 5.442 5 40 KKBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 409106975 PJMATWXHNORPES-GIJQJNRQSA-N 708.268 5.371 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409178574 GVZPWLHULQIBKQ-DHRITJCHSA-N 592.586 5.986 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)ccc1Cl 409198083 WRIYZUYDNGBBTP-FMQZQXMHSA-N 558.783 5.407 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409209605 GTAINFQCRKFEIX-YDZHTSKRSA-N 510.955 6.467 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409241148 ROBSXQYDWUWJSF-SRZZPIQSSA-N 572.799 6.086 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 409255104 XYCOWILYHZXCLL-WSDLNYQXSA-N 677.327 6.382 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C 409269295 AVDKXNMVOIDREZ-DICXZTSXSA-N 589.626 5.664 5 40 KKBB c1ccc2c(c1)cc(-c1cc3c(c(-c4cc(-c5cc6ccccc6c6ccccc56)cc5c4CCCC5)c1)CCCC3)c1ccccc12 575629577 SUQOGMJQXPMKES-UHFFFAOYSA-N 614.832 13.058 5 40 KKBB O=C(NCCc1ccccc1)/C(=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 2677941 NEHWTFPJBACDSD-SWKFRHMKSA-N 557.610 5.577 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccccc1 8401095 ROMNXOXVJZECNH-LCQSEVKBSA-N 653.635 5.916 5 40 KKBB CSc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(Cc4ccccc4)CC3)cc2s1 12542885 RXSGTLKKYSCJLL-UHFFFAOYSA-N 518.664 6.638 5 40 KKBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccc(N(C)C)cc2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 27552341 QUPDMAHOIOFEBV-UHFFFAOYSA-N 556.579 5.081 5 40 KKBB COc1ccc(Oc2ccc([C@@H]3NC[C@H](c4ccccc4Cl)c4c3[nH]c3ccccc43)cc2[N+](=O)[O-])cc1 53356843 JZRNXBOFRKPUDV-BTYSJIOQSA-N 525.992 7.355 5 40 KKBB C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C 96068402 ZQGOYEJYAYJFTL-BTMCAZCFSA-N 885.203 13.143 5 40 KKBB in-vitro COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccccc1Br)CC2 100819009 MFJOXOOVNUIFMD-QFIPXVFZSA-N 527.371 5.193 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)C(C)(C)Oc1ccc(Cl)cc1 101177273 QYFBEKKPEXAAJA-MHTZHOPKSA-N 563.054 5.269 5 40 KKBB COc1ccc(CCn2c(-c3ccc(Cl)cc3)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1 102581363 MHNHFLSOPLXJKQ-UHFFFAOYSA-N 537.797 5.837 5 40 KKBB Cc1nn(-c2ccc(Cl)cc2)c(O)c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O 102835923 CDLQSCLUQYLFRN-VWLOTQADSA-N 550.402 6.069 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OCC)cc2)cc1 102960850 DMGUHELCQUBQIA-LDBUFFFPSA-N 551.643 7.229 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@@H]2C1=O 103973492 YZABQCDDSCIHOQ-LYBRAKKWSA-N 585.616 5.626 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3c4ccccc4cc4ccccc34)c2=O)=N1 104677325 XSYBQCXPORJQIH-YWEMJKAQSA-N 574.746 7.008 5 40 KKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105312824 JGZVYWLDGLSUPP-UHFFFAOYSA-N 556.600 6.922 5 40 KKBB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 105321841 GHISAXDCQXLGPN-UHFFFAOYSA-N 544.995 6.031 5 40 KKBB O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105322604 QABKPOAVNPSUPG-UHFFFAOYSA-N 551.430 6.736 5 40 KKBB COc1ccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)/C(=C/c4ccc([N+](=O)[O-])cc4)NC(=O)c4ccccc4)c3)C2=O)cc1Cl 150484868 KFFAVHGWXZNRNG-VPHSIRQSSA-N 657.104 6.091 5 40 KKBB O=c1/c(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 163306971 UHNOJLOCRCCVLD-SAGCDJCOSA-N 650.554 6.568 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 215232807 JDYJMNFWUXAIIK-PGGKNCGUSA-N 647.887 6.954 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223292603 HEZAWFFVBAGPSO-FQEVSTJZSA-N 621.543 5.431 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl 224072700 FCELKBISWMBBES-SVBPBHIXSA-N 581.050 6.114 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224512857 HIJQLMAUZYLSJM-MGBGTMOVSA-N 727.667 6.580 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 224996434 XRKPKUZKKZJGGD-FQLXRVMXSA-N 573.122 6.847 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225375773 QIAAQJANDSBPFP-YTTGMZPUSA-N 663.196 6.000 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225691810 MNGXZVNXPFGXFM-MGPUTAFESA-N 526.417 5.011 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260888101 FFWOTKQQGIURKX-GDLZYMKVSA-N 657.189 5.112 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260958839 YAWQCCGUVSLQHJ-DIPNUNPCSA-N 712.869 6.505 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 408566226 FCKUJXQQUQTCLS-HSZRJFAPSA-N 563.894 7.533 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408575498 WJTVLEURANGTPD-RUZDIDTESA-N 652.398 8.041 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3c(Cl)c(C)c(Cl)c(C)c3Cl)CC2)c([N+](=O)[O-])c1 408577026 ZKJHHMWDMHUNNU-UHFFFAOYSA-N 544.819 5.076 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)c1 408636967 DQVHFIRWHSSQLQ-NRFANRHFSA-N 516.550 5.598 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6C)o5)c(=O)n42)c2ccccc2CC3)c1 408775887 KPVLADJAZJZVJF-NBQDTTAVSA-N 575.646 5.804 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl 408849465 YYOPLDXFSTUJOJ-RQZCQDPDSA-N 629.886 8.548 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408918197 HMYDBWSWDKDYES-SSDVNMTOSA-N 641.270 7.322 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 408921219 MKJASWGGHRXXAJ-OBDCIHEFSA-N 645.759 5.405 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408933909 BAETYMVWCPDMNF-YVBHXKDBSA-N 710.578 5.974 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408999893 SRBIFBSUEASNCX-LMVPNCJUSA-N 747.634 9.758 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409102030 ZQEZJAHAZPMQJX-DDIUQFJASA-N 658.802 5.489 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409102785 WBFDQTCNDOIZDI-UHGLXVSNSA-N 699.833 6.485 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1cccc(Cl)c1 409118893 QLIUVJMZDLRYCA-RGVLZGJSSA-N 575.746 5.529 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 409268749 YPSPORPXCVCUGW-UHFFFAOYSA-N 527.908 5.409 5 40 KKBB O=c1n(Cc2ccc(Cl)cc2)c2cc(N3CCCCC3)c([N+](=O)[O-])cc2n1Cc1ccc(Cl)cc1 6444837 UJUHLRGQADDGLO-UHFFFAOYSA-N 511.409 6.105 5 40 KKBB O=C(Nc1cc(Oc2ccc(I)cc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 33353150 YCNDEWDXXONFOP-UHFFFAOYSA-N 646.323 6.368 5 40 KKBB O=c1c2cc3c(=O)n4c(cc(-c5ccccc5)c5cc(Cl)ccc54)nc3cc2nc2cc(-c3ccccc3)c3cc(Cl)ccc3n12 82178603 PGJVXDXLEUSDDQ-UHFFFAOYSA-N 635.510 8.956 5 40 KKBB Nc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] 97984883 XCSQPUZKGQYUKT-UHFFFAOYSA-N 640.792 5.790 5 40 KKBB O=[N+]([O-])c1cccc([C@@H]2Oc3c(Br)cc(Br)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1 97999540 VWNOZGKGURHWBE-UNMCSNQZSA-N 563.633 7.016 5 40 KKBB CC(C)c1ccc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc([N+](=O)[O-])cc2Cl)cc1 101970950 CBYZJBRMJIUGFP-LFYBBSHMSA-N 571.802 6.846 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 102191115 NOYOEFCLXORAPK-GCLYCDDRSA-N 597.671 6.649 5 40 KKBB CCCCN(CCCC)C(=O)CSc1nnc2c3sc4nc(N5CCOCC5)c5c(c4c3ncn12)CC(C)(C)OC5 102572140 ZONYKZBLBQYVLP-UHFFFAOYSA-N 597.811 5.096 5 40 KKBB COc1ccc(CCn2c(-c3ccc(Cl)cc3Cl)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1 102581374 YAJQFHNQKCBVMF-UHFFFAOYSA-N 572.242 6.491 5 40 KKBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc2ccccc2c1 102744240 WEYAEDVRPLAJQN-DSNGMDLFSA-N 534.355 6.106 5 40 KKBB CC(C)(C)c1ccc(C(=O)O/C(=C(\Sc2ccccc2[N+](=O)[O-])c2nc3ccccc3s2)c2ccccc2)cc1 102944352 VRRBSCFMKFWDPK-ZIADKAODSA-N 566.704 8.977 5 40 KKBB CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OCc1ccccc1 102974258 SEYMZTBNRWSFSB-IDZRBWSNSA-N 565.582 5.624 5 40 KKBB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1N1CCCCC1 103012096 RXWHESTZLAHQFE-UHFFFAOYSA-N 545.017 5.300 5 40 KKBB Cc1ccc(C)c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2-c2ccc(Cl)c(Cl)c2)c1 103781302 DWXQAAODVFDXEI-UHFFFAOYSA-N 599.500 6.068 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2=O)=N1 104676513 UJLRDJSMZPXEBD-LAUBZIAYSA-N 585.682 5.870 5 40 KKBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3Br)o2)cc1Cl 112230000 YIWBKCQCTSFNQR-RMKNXTFCSA-N 520.792 6.106 5 40 KKBB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112242958 OHZHGXQRKRETNJ-UHFFFAOYSA-N 559.648 5.798 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214081222 XLMFTWHGCAJWJB-FSJBWODESA-N 578.952 7.695 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224362655 MOOTYSLHBLHODD-HKBQPEDESA-N 663.196 5.998 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224378137 ZWFWJGVUXFJMKV-WJOKGBTCSA-N 693.620 5.719 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224860470 GISURIPNVZAUKE-QFIPXVFZSA-N 691.634 6.280 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225542035 JTFHUJUGHKHUMJ-HHHXNRCGSA-N 598.563 6.147 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260982555 LKCHEYGNYCLVGV-JGCGQSQUSA-N 786.145 7.078 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1ccccc1 408569613 JVUUTBGRPWCBGO-HSZRJFAPSA-N 525.428 6.027 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1Cl 408571903 PUYKICQUMBMBAK-RUZDIDTESA-N 617.953 7.306 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 408572351 QYCJBIXRYFUUQH-XMMPIXPASA-N 559.019 6.075 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)O)o1 408631933 HHNJONQCEUNLDA-QFEZKATASA-N 577.018 6.836 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)C(=O)O)o2)c1 408633191 MDTPZWHRODNYLO-JAIQZWGSSA-N 513.459 5.279 5 40 KKBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 408664995 ZBPCFWFOBIUMQL-GRMVFTJISA-N 636.444 5.558 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccs1 408769180 LOTWQDBPMOQJJE-PNZYDNNZSA-N 626.112 5.009 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c2=O)=N1 409030889 IIKCFUBKCKAMRO-FQKMCRJQSA-N 642.517 6.062 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c2=O)=N1 409043732 ZIIZNEYNFRYNPR-ITNPZBTBSA-N 648.137 5.728 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 409045971 QLGRSCILISRZIM-PBKKUYBVSA-N 642.517 6.061 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409076648 BMMSGYADINRXBV-FSEOGBMLSA-N 702.967 5.790 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc(Cl)c1 409159587 NVQLBZSOAHFFHQ-UUYOSTAYSA-N 523.954 5.502 5 40 KKBB Cc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409179436 NKLSKZBKWTYXSK-UHFFFAOYSA-N 577.376 7.160 5 40 KKBB CCc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 409181599 DKRSUJWDCRKUMX-NDEPHWFRSA-N 534.524 5.739 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409250040 LAYNCQSAAIWPES-NUGSKGIGSA-N 634.411 5.898 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1Cl 409267338 TWOCXLFEMGFNOV-FSJBWODESA-N 664.861 6.360 5 40 KKBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 409321876 VHQSLWSTRIPRFN-UTCJRWHESA-N 557.582 5.724 5 40 KKBB O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 409337794 VXVUULZCICTRKV-UHFFFAOYSA-N 626.745 7.005 5 40 KKBB Brc1ccc(/C=C/c2cc(-c3ccc(Br)cc3)nc3ccc4ccccc4c23)cc1 2030026 ODLJFLVWZAFYBH-VMPITWQZSA-N 515.248 8.750 5 40 KKBB Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1 3024423 WRGJABJYYLTNBE-UHFFFAOYSA-N 528.659 7.591 5 40 KKBB O=C1NN(C(=O)c2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])c2c1c1ccccc1n2C(=O)c1ccccc1 5707366 BBTBXANFHWZLBW-AREMUKBSSA-N 516.513 5.128 5 40 KKBB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)c(C(=O)Nc4cc([N+](=O)[O-])ccc4C)sc3n2)cc1 6246300 DEYKGNMVNMXYBA-UHFFFAOYSA-N 529.021 7.643 5 40 KKBB O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 6474822 XPAZKSFCQBORFR-UHFFFAOYSA-N 510.373 5.336 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(c1ccc(Cl)cc1)=NN2c1ccccc1 8404542 ZKQFFQAWPPRKIC-SSEXGKCCSA-N 584.057 6.761 5 40 KKBB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 14277601 CVPVDWIGRZAMHJ-UHFFFAOYSA-N 510.358 7.691 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)nc2c1 22843985 BXDAATRVZZGIDE-AWEZNQCLSA-N 519.539 5.952 5 40 KKBB O=C(OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 100390711 LFIIYFNPEOPSCZ-FGZHOGPDSA-N 534.952 6.077 5 40 KKBB O=c1[nH]c2c(s1)[C@@H](c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100864382 QOGOWCLXSZOUGF-NOBGCMIZSA-N 501.029 6.229 5 40 KKBB COc1ccc([C@@H]2C=C(c3ccccc3)Nc3nc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)nn32)cc1 100998395 LYLVPPXHHOJXOG-NRFANRHFSA-N 502.918 5.157 5 40 KKBB COc1cc2nc(SCc3cccc(C(F)(F)F)c3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 101308337 GGZCVRFMPSOXMF-UHFFFAOYSA-N 541.511 6.181 5 40 KKBB CC1=C[C@@H]2N(c3ccc(C)cc31)[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 101344026 NFHSKALYPBNTGN-UUZIFAJNSA-N 549.627 5.882 5 40 KKBB Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c2ccccc2)c([N+](=O)[O-])c1 102975319 VJUGMKUFZCKJGZ-AREMUKBSSA-N 563.563 5.380 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 105523149 JVOIOYHPRMNVFJ-JMIUGGIZSA-N 515.906 5.820 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 150363270 FQORPOTYDJXCGX-MJASDKGPSA-N 661.692 5.152 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 150394589 LIIGXLRLZOOLLE-KUSDHMTMSA-N 637.670 5.121 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222924939 KJKDGTGOSHUBLM-SANMLTNESA-N 645.178 5.135 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224457474 JFIGTIOOGANHSD-RUZDIDTESA-N 528.436 5.610 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 224872125 QVKYXLQICBJWEQ-INIZCTEOSA-N 538.428 5.155 5 40 KKBB CCCCC[C@H](O)/C=C/[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)N[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC 248272743 QUHKMDJLJIBVDI-CEOCVNLCSA-N 574.715 5.237 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261001722 FIRNEJBDQIPAQR-MGBGTMOVSA-N 721.276 6.624 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261068328 PFSULFHBPZAHND-GZGVDWRWSA-N 741.694 6.969 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408563365 AHHGCINZZXOTEL-KLPDMWAPSA-N 578.463 5.400 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 408568634 IDMALYQQRFNFBI-QFIPXVFZSA-N 584.312 7.878 5 40 KKBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 408644641 HDKCMSSGHBWARV-BOVDGQEDSA-N 646.450 5.014 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Cl)cc1Cl 408678810 DDRSJPBLJYQCMB-QYVRTBTHSA-N 626.452 6.034 5 40 KKBB O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 408736789 IAIQDFVUBDFHKY-AREMUKBSSA-N 558.432 5.855 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c1 408768738 KAGASJINBMCPLX-KFOJKGMOSA-N 788.620 5.983 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccccc1 408818237 YFEZUJDCHNLPBX-BKUYFWCQSA-N 511.353 6.177 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(F)cc3)C3=C(N=4)c4ccccc4CC3)cc2)cc1[N+](=O)[O-] 408826009 BZANBCAWHHXMFD-DXUGRCAZSA-N 653.713 5.442 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)cc1 408834443 UYUXEJZCNFWTTC-IYVASWNSSA-N 682.980 6.010 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408837301 BTYZAOPLAZDQGG-JLKMOJGBSA-N 624.650 5.580 5 40 KKBB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 408926386 NEDZOHMFYXYILH-QARYAGPDSA-N 594.045 5.017 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC 408937434 GOKRTXUYEQPCHM-ILLSWNIOSA-N 773.456 5.828 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409031388 AHRJMVNJKFGZJQ-JAYSWQADSA-N 624.502 5.592 5 40 KKBB CC1(C)OC(=O)C([C@H](c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c2c[nH]c3ccccc23)C(=O)O1 409114610 IOLPEOIKADHPOT-HSZRJFAPSA-N 752.299 6.449 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409149610 LARFLUOFOREINO-JBDHCHCMSA-N 724.659 5.816 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1 409176411 MRWBLAJVJDSDKL-UHFFFAOYSA-N 518.232 5.323 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 409192021 SLHQKXXTHYOOHU-PANBRXNZSA-N 799.674 6.816 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409261776 BBGJRIWJSFIAQF-CVKSISIWSA-N 699.523 5.798 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409271776 MZIITDZERILJFG-JFLMPSFJSA-N 614.592 6.522 5 40 KKBB Cc1ccc(C(C)C)c(Oc2cc(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3cccs3)N4)cc([N+](=O)[O-])c2)c1 1309757 IUUDJLOPKKTQAY-SQJMNOBHSA-N 585.608 7.990 5 40 KKBB Cc1c(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cccc1OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 2748290 QNEWWSLXZMWNBR-UHFFFAOYSA-N 580.141 5.775 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)SC(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccccc12 8407396 KPAZXMKPMBKOAA-WJOKGBTCSA-N 551.693 7.517 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)N1C(=N2)C(N2CCN(c3ccc(F)cc3)CC2)=Nc2ccccc21 96022094 RPTKKVWNNHKNCV-JGCGQSQUSA-N 612.669 6.733 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 97949238 AWTOWUGNJIDAFZ-GMAHTHKFSA-N 681.263 8.021 5 40 KKBB O=C1CS[C@]2(C(=O)N(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c3ccccc32)N1c1cccc(Cl)c1 98009055 BEPGGLLYXQUHLC-HHHXNRCGSA-N 618.037 5.326 5 40 KKBB C[C@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100221358 BRVCJWWDYCPWBG-ZBBKGZSWSA-N 559.132 5.776 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 100969681 FPGOEXLAEHZMDK-GOTBXFGNSA-N 604.662 6.740 5 40 KKBB COc1ccccc1-n1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccc(I)cc2c1=O 101010781 UVXYXWZLYDLJOH-MDWZMJQESA-N 525.302 5.078 5 40 KKBB O=[N+]([O-])c1cccc(/C=C\c2nc3ccccc3nc2OCc2ccc(S(=O)(=O)c3ccccc3)cc2)c1 101575656 JYVBWVNHFCRQMD-SDXDJHTJSA-N 523.570 6.120 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(c1ccc(C(C)(C)C)cc1)=NN2c1ccccc1 102421932 SALAEKHCSHNDJE-UUWRZZSWSA-N 605.720 7.405 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 104382431 RDBXYWIMIJEHLY-JUJAOGAQSA-N 568.221 5.313 5 40 KKBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cccc1-c1nc2cc(Cl)cc(Cl)c2o1 105306318 SGCWDLSVKVHWGC-UHFFFAOYSA-N 586.457 5.982 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5OC)o4)c(=O)n32)c1 111468523 HUJCAOZJPBOZQT-UNDLXJOSSA-N 622.659 5.059 5 40 KKBB O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112231954 LVRYTVZOGFTQEJ-UHFFFAOYSA-N 537.985 5.020 5 40 KKBB Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)C(C)C)cc1 147935299 ZLPARJNIRCATJY-JOCHJYFZSA-N 565.681 5.013 5 40 KKBB CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12 150340159 PAKHIXWGWLKVNM-PRWNNGACSA-N 823.129 12.378 5 40 KKBB in-vitro O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCCCC1 205797253 RMPSSYFINIZPLF-RGVLZGJSSA-N 614.396 6.217 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222744419 HMORPQPSLCPLFL-DEOSSOPVSA-N 546.476 5.521 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222767024 YCQRAGMLKAZXDT-SSEXGKCCSA-N 734.058 6.453 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224316679 KQKVEPZZQLKAOB-VWLOTQADSA-N 554.043 5.190 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 224691061 NGSNKJBWVYTDFX-LOYHVIPDSA-N 548.624 7.528 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 224725082 CEABISQTGQRVFY-XZWHSSHBSA-N 548.624 7.528 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 248168471 UBLRONAYKDNJFH-IANDGLOUSA-N 555.590 5.759 5 40 KKBB COc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1 408553790 POAZXYWWJCWPKO-UHFFFAOYSA-N 514.328 5.293 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 408563196 AAUKIXHAHKGDMC-BYGVMDBSSA-N 542.419 5.493 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1 408566752 GASNKEIYFZPSKS-RTFLAGNKSA-N 542.817 5.250 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 408572487 RHOGEJWIBVQVKR-RUZDIDTESA-N 559.475 6.889 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408643311 PDQYOSIPVYTNKG-UHFFFAOYSA-N 687.275 6.964 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408645179 HQSMAYKIQCTDOF-DZUWIXTPSA-N 684.104 7.173 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408683549 LNWOZGJTOHTOMX-HCXPYDJZSA-N 563.997 5.698 5 40 KKBB CC1CCN(c2cc3c(cc2[N+](=O)[O-])n(Cc2ccc(Cl)cc2Cl)c(=O)n3Cc2ccc(Cl)cc2Cl)CC1 408734780 DRVYYEQSNAWXOM-UHFFFAOYSA-N 594.326 7.658 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408922388 AFONNTTWRSFWDR-YZSQISJMSA-N 567.545 6.594 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 408994868 HJYOQTHPCOBSIK-OTHIGLTOSA-N 693.803 6.153 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409034051 NARVICCOZXDKIG-LMWPEEHHSA-N 892.519 5.603 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c2=O)=N1 409042830 CYLYCICIIHFSNI-CRCYZHLCSA-N 642.517 6.062 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1 409085598 BXHPKROOMDXUFK-PQRKSKNISA-N 592.633 5.051 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409098209 KIMMHMFORPKNJL-QZVQSRICSA-N 699.254 6.978 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409122157 ZXWIWACRGJMROA-MHRPSJHKSA-N 760.648 5.570 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)ccc1Cl 409165791 AAHOAVSRCOGGMP-SRZZPIQSSA-N 590.397 6.013 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 409174279 QPUWHSBQCSUBAL-VVHYXOSJSA-N 620.636 6.923 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cccs1 409190424 MXASYMVXFHRZQQ-MKWGYRPRSA-N 693.232 5.851 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(Br)c(Cl)c1 409197754 OCBMZMXAXLWTBV-ZVBGSRNCSA-N 633.820 6.386 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409204162 CHWPKSXOMYHXLH-NHDPSOOVSA-N 682.914 5.462 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 409215031 ZUYHNJKPTMFUBE-SRZZPIQSSA-N 545.798 6.831 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409219200 NZCLNLBBVQNDPY-ZVHZXABRSA-N 504.520 5.102 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409345965 MJBLCUTWJOSFQM-WGARJPEWSA-N 625.681 5.478 5 40 KKBB CCCC[C@H](CC)COc1c2sc3ccsc3c2c(OC[C@@H](CC)CCCC)c2sc3ccsc3c12 1776010919 HTASKTWYLDXXPU-PMACEKPBSA-N 558.900 11.736 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 1751143 JPXMHWGNTBKZTR-SUAMDDGLSA-N 572.067 6.202 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2ccc(Cl)cc2Cl)=Nc2ccccc21 1865402 IFJYYMYOCJUQTO-MUUNZHRXSA-N 594.462 8.191 5 40 KKBB O=C(COC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1 2772680 BSARFWGXIBIUPM-UHFFFAOYSA-N 551.473 7.025 5 40 KKBB N=C1NC(=O)/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)S1 4180208 VQZIMJYJQRXBMY-WLRTZDKTSA-N 567.137 6.070 5 40 KKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 22826670 MLUFZMWRMJNPBL-UHFFFAOYSA-N 503.338 5.691 5 40 KKBB CN1C=CC(c2c3nc(c(C4=CCN(C)C=C4)c4ccc([nH]4)c(C4=CCN(C)C=C4)c4nc(c(C5=CCN(C)C=C5)c5ccc2[nH]5)C=C4)C=C3)=CC1 49778068 FRDRBZVVFVGENG-UHFFFAOYSA-N 682.876 8.026 5 40 KKBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 59883662 VZXAFCVIPVMXLX-XIEYBQDHSA-N 548.020 6.537 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 100340866 YMFSTGBVNYWRDD-WSDLNYQXSA-N 543.370 6.312 5 40 KKBB COc1cc(N/C=C(\N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c(OC)cc1Cl 100958412 BEICZMGCUWDXOW-UNOMPAQXSA-N 505.983 6.110 5 40 KKBB O=C(COC(=O)c1cc(-c2ccccc2)nc2c(Br)cc(Br)cc12)c1ccc([N+](=O)[O-])cc1 103770270 DOXFIRAHVWNQPV-UHFFFAOYSA-N 570.193 6.375 5 40 KKBB Cc1c(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)c(Cl)c2)cccc1[N+](=O)[O-] 104911560 NOQZITXLHIONNL-UHFFFAOYSA-N 540.876 5.831 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)cc1 150365333 BIIYWHLOULXKJD-OFRZWCKSSA-N 662.698 6.801 5 40 KKBB O=[N+]([O-])c1cc2c(cc1S(=O)(=O)O)[C@H]1[C@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150389153 BCPWEHMVDWTVEJ-XLRGKSQSSA-N 798.781 8.946 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224162986 HNFLJEIYSMELNM-WJOKGBTCSA-N 649.169 5.610 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225470569 GAYQPYIXSOYUCC-DHUJRADRSA-N 802.177 8.156 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363933 QGROLDOXRMPIJJ-XYOKQWHBSA-N 509.370 8.004 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 253373067 HPEVXTCHWZUTIR-HXLKRRFRSA-N 599.643 6.364 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260926056 HDOFYYSAPKOVLG-DCFHFQCYSA-N 635.570 5.819 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1ccc(Cl)cc1 408570281 KSCKKKJIFSDLMR-QHCPKHFHSA-N 559.873 6.681 5 40 KKBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)cc2)cc1[N+](=O)[O-] 408682649 LAONSGYIYWVGNB-NPYONTDKSA-N 587.588 5.095 5 40 KKBB Cc1cccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1C 408739136 YDPKXYTWSKCYCM-NDEPHWFRSA-N 507.590 5.710 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 408755165 ZBGNGCRWMQMGNC-BIWBSIMWSA-N 525.029 5.368 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccccc1 408757217 WFJSSJHAFLMNHH-GARKAJJMSA-N 617.683 5.423 5 40 KKBB Cc1cc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cc(C(=O)O)ccc2C)C3=O)ccc1Br 408757460 NPNFBRSITSILGL-UHFFFAOYSA-N 545.345 6.293 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408835349 XHMQBWDEIXWEIQ-PRLWALMFSA-N 713.006 6.100 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408849880 AFHCBYPLQBPZDP-LMBBUSAASA-N 646.725 5.760 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Sc5nc6ccc([N+](=O)[O-])cc6s5)o4)c(=O)n32)cc1OC 408993855 XIRGQWYJXSWBBX-KOBOZNMDSA-N 711.803 6.153 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409032697 MOYQQNXIVRLABL-XDYZZPCYSA-N 813.667 6.085 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409045490 PSJKVCYVYDHFRQ-JBDHCHCMSA-N 638.098 5.416 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC 409093549 APNFIAHGQCKDIU-CVXGXVHTSA-N 614.749 5.172 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)cc1 409100288 UXRWZNDGSPPBRX-XKZIYDEJSA-N 507.524 5.237 5 40 KKBB Cc1ccccc1NCc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409114943 FJIPUXUWCMQRSX-UHFFFAOYSA-N 506.194 6.619 5 40 KKBB COc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409119709 QBTVMEJYSWPWHI-UHFFFAOYSA-N 582.394 7.191 5 40 KKBB CCn1c2ccccc2c2cc(-n3c(-c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)nc4nc5ccccc5nc43)ccc21 2245961 UYXRAPNXEAQLCE-UHFFFAOYSA-N 529.516 6.580 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1OC 8401029 LRAGYXRGNKCFFK-ORVZPOCUSA-N 718.504 6.289 5 40 KKBB CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 8899346 PTILAENZWAQLML-UHFFFAOYSA-N 506.946 5.708 5 40 KKBB O=C1N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccc(Cl)cc1 9845979 SLLZECZUBFDUMN-VCHYOVAHSA-N 502.708 5.364 5 40 KKBB C[C@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)c1ccccc1 12542878 AHNPNNIVEBOEOI-HNNXBMFYSA-N 500.502 5.922 5 40 KKBB C[C@H](OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 12658009 GJKCBSAQXCDIKP-OLZOCXBDSA-N 514.793 5.975 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)ccc3o2)c(Cl)c1 21595510 RMSCPNXWGYKAFR-UHFFFAOYSA-N 504.974 6.853 5 40 KKBB CC(C)(C)[P@@](=Nc1ccccc1[N+](=O)[O-])(Oc1ccc(Br)cc1Br)c1ccncc1 96022477 KDCGPDCPKIZWEV-PMERELPUSA-N 553.191 7.466 5 40 KKBB O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 97984286 WCWIJPQJVBGTJF-NSMNXUMOSA-N 530.512 5.844 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 100305679 RUMFIVMPDYBLEL-QARYAGPDSA-N 578.046 5.353 5 40 KKBB O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@@]3(S2)SC(c2ccccc2)(c2ccccc2)c2ccccc23)cc1 103696122 GKEPEEKZLXQXQO-XIFFEERXSA-N 557.700 8.359 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@@H]2C1=O 104009055 GEKDPSFYKQVZRU-LDAZMUTJSA-N 601.615 5.326 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 104076866 YLFWWWSZUVYERX-NEWJYFPISA-N 533.462 5.012 5 40 KKBB COc1cc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)ccc1NC(=O)c1ccccc1Cl 105355595 HSKKAISRQSQYPZ-UHFFFAOYSA-N 516.362 6.630 5 40 KKBB O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 106020936 BBUWHNWAKLCWMN-OYUWMTPXSA-N 569.957 5.519 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 250590538 WZFUYFNPSXLFQQ-FZTAYZORSA-N 538.556 5.044 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 408567085 GIYPZQNOUJQGGL-JOCHJYFZSA-N 567.857 7.364 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 408575656 WSZLGDIBEGNASM-HSZRJFAPSA-N 612.308 7.473 5 40 KKBB CCOc1cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408633282 MHKACPMADNWGKU-ROTLSHHCSA-N 579.587 5.858 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)O)o2)c1 408635144 ZIMNREJHOATEQW-GTWSWNCMSA-N 646.681 8.005 5 40 KKBB O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccc(Cl)cc1[N+](=O)[O-] 408668351 WIRAHMFZZKCDKI-OJKWPBSESA-N 585.827 5.275 5 40 KKBB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)[C@H]5C6c7ccccc7C(c7ccccc76)[C@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] 408673954 YAYRPDXMPZRTHL-OQRRONEISA-N 613.626 5.258 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408684201 MZUDANQLWIEWFU-UHFFFAOYSA-N 751.407 7.152 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408734859 KQPMAXGLXMCMMA-IMUCPKNRSA-N 643.718 5.083 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1 408764945 APCUKDXDYJCMPK-UAMLYEQYSA-N 596.064 6.149 5 40 KKBB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 408802480 FKSUTNOFGLDTGS-HJWKHUTRSA-N 567.485 7.671 5 40 KKBB Cc1ccc(-c2sc(NC(=O)c3ccc(Br)cc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408835972 OTTXAEPXGIUVEU-UHFFFAOYSA-N 508.397 7.017 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409043706 ZESJABIVCACWOL-CDWRSTBESA-N 791.504 7.151 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409135772 QPZWKPPRFZLAIV-UHFFFAOYSA-N 517.991 5.016 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409152648 KTBTXXULANCXME-NRFANRHFSA-N 581.482 5.380 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)ccc1Cl 409166761 GMLQVMOSVRWNPI-ZVHZXABRSA-N 530.989 6.108 5 40 KKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1 409169962 SAGADIHFDUZSGA-MTJSOVHGSA-N 561.866 7.398 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409216869 PDSZROZQHUAYII-WSDLNYQXSA-N 545.400 7.120 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409233225 DSXIBKMYYOALPC-ZMOGYAJESA-N 623.460 5.429 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 409248450 KJITYGOPUGRXDV-CIAFOILYSA-N 571.373 5.021 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C(C(=O)OC(C)C)=C(C)N=4)o2)c([N+](=O)[O-])c1 3771189 SQQXQJLMLFCUHL-QARYAGPDSA-N 594.045 5.017 5 40 KKBB COc1ccc(N(CC(=O)NCCSCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 8384412 NEFTVVNLURUYBR-UHFFFAOYSA-N 598.530 5.464 5 40 KKBB O=[N+]([O-])/C=C\c1cn(CCCCCCCCCCCCn2cc(/C=C\[N+](=O)[O-])c3ccccc32)c2ccccc12 8652015 BAZKSHGYXFPJBS-SRPFLQSCSA-N 542.680 8.692 5 40 KKBB O=[N+]([O-])c1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCN(c3cccc(Cl)c3)CC2)cc1 38140276 HMEKHCWEIFQPHK-NRFANRHFSA-N 537.001 5.230 5 40 KKBB aggregator COc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl 57313080 HJPOKNKAZRTJJS-UHFFFAOYSA-N 520.977 5.479 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59331439 RURFUDRVPYYTBI-UHFFFAOYSA-N 519.558 5.659 5 40 KKBB CCn1c2ccccc2c2cc(-n3c4nc5ccccc5nc4c4c(=O)n(Cc5ccc6c(c5)OCO6)c(C)nc43)ccc21 98000070 PIVRWCPMSAIMRU-UHFFFAOYSA-N 578.632 6.497 5 40 KKBB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 98000104 ODVUFQBIYPEETO-AWCRTANDSA-N 579.565 5.182 5 40 KKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc12 101033951 IQNYHZVBQZBSJE-MHZLTWQESA-N 543.597 5.197 5 40 KKBB CC(C)[C@H]1CC[C@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](C[N+](=O)[O-])c1ccccc1 102675564 VAMMHMBTLSBKCE-AKCYEVJASA-N 507.652 8.152 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 163256708 VVQQBJNXJYGSET-AMQCUNCASA-N 662.680 5.945 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(Cl)cc1Cl 214410717 YGUZFAUCVCZOBJ-SSDVNMTOSA-N 515.374 6.717 5 40 KKBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224739249 QSBFNGKHQLAKOE-NRFANRHFSA-N 643.560 5.029 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl 224967911 RSPWJRYFNYCUQI-DNQXCXABSA-N 505.987 5.620 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225245488 VXWXYZQNKFRYRN-NDEPHWFRSA-N 545.636 5.071 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225501463 IJXBEUVYNPLUHC-LJAQVGFWSA-N 614.595 7.224 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 408567661 QYLMRBRYPSGBRJ-SIJZCSJPSA-N 552.002 5.511 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408569659 WVKBYHNPKMGJDP-IUUIHGGBSA-N 532.811 5.748 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)cc1 408576098 XHVPCLRYRSMMMH-DEOSSOPVSA-N 557.445 6.475 5 40 KKBB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 408720466 QAMFYOMDJXYJON-TVNKHIRZSA-N 520.585 6.009 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408722660 BLZZJOTWNUSNJW-AGSVCEGISA-N 750.432 8.853 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730926 WFQKIYOIIFSDMR-IZBTWGKQSA-N 703.365 5.500 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)c1 408769238 MCSNBBROFSBRQS-USDTVRPUSA-N 627.078 5.704 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408827280 IMXZJVUYTOMCDV-FUFNRSNVSA-N 615.042 5.835 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408827996 IHHIAMIUIFAREZ-FUFNRSNVSA-N 598.587 5.320 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2c3ccccc3cc3ccccc23)N1Cc1ccccc1 409113516 BKPFVACFSWKAGZ-PGUFJCEWSA-N 549.630 8.263 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2c(Cl)cccc2Cl)N1Cc1ccccc1 409132724 JUOYUYCUXLJLHK-HHHXNRCGSA-N 518.400 7.263 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409152228 DRMDBQLOYFPXNY-ZMOGYAJESA-N 601.559 6.788 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409192613 CWGJPLKAWZTWMA-HZHHUVPKSA-N 775.309 6.587 5 40 KKBB CCOc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1OCC 409196256 YBMHLGYXSLHODU-MTJSOVHGSA-N 660.271 6.481 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409258079 SZWOCDVALITXHJ-VULFUBBASA-N 604.597 5.315 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)c(C)c1 409372157 CSXNCPQFDQFUFJ-FSJBWODESA-N 562.560 5.896 5 40 KKBB CCOC(=O)C1=C(n2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccccc2)S[C@@H]2CCCC[C@H]12 2310752 WAOKOPMMMKSWFQ-SIKLNZKXSA-N 537.645 5.380 5 40 KKBB O=C(Nc1cccc(Oc2c(F)c(F)c(Oc3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)c(F)c2F)c1)c1ccc([N+](=O)[O-])cc1 8386651 CIDNHFUXDOIYNV-UHFFFAOYSA-N 662.508 8.149 5 40 KKBB CCOC(=O)C[C@H](NC(=O)CCCc1cn(Cc2ccccc2)c2ccccc12)c1cccc([N+](=O)[O-])c1 8846741 GBWCEQSXJCVABS-MHZLTWQESA-N 513.594 5.731 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)ccc1-c1ccc(CO)o1 20153286 BTASKHGHOKRHJY-UHFFFAOYSA-N 508.600 5.019 5 40 KKBB O=c1oc2ccccc2c(O)c1C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(O)c2ccccc2oc1=O 33355248 JQRZUSMQJYCKTG-UHFFFAOYSA-N 523.453 5.659 5 40 KKBB biogenic Cc1ccc(-c2nn(CC(=O)Nc3ccc4c(c3)nc3c5ccccc5c(-c5ccc(Cl)cc5)nn43)c(=O)c3ccccc23)cc1 97999426 GSBRELKUNQAKOL-UHFFFAOYSA-N 621.100 7.680 5 40 KKBB COc1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)C[C@H](C(C)(C)C)C3)c(C)cc1[N+](=O)[O-] 103081875 XRUOIGOAMQEHTO-LDVBQKTRSA-N 599.709 7.466 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105308100 JOWNIOFTUDURID-UHFFFAOYSA-N 600.882 6.546 5 40 KKBB C[C@H](CCC(=O)NCCC[N+](C)(C)C[C@@H](O)CS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118912957 HWYJEBSPZZWBMD-NSZYPROASA-O 583.900 5.283 5 40 KKBB O=C(COC(=O)c1cc(C(=O)OCC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)c2ccccc2n1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 150359886 ZSBXTOHIMJNRQC-UHFFFAOYSA-N 796.528 9.022 5 40 KKBB CCOC(=O)c1ccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)/C(=C/c4ccc([N+](=O)[O-])cc4)NC(=O)c4ccccc4)c3)C2=O)cc1 150484965 POEHSGDNAQLDHB-AMQAWDDFSA-N 664.696 5.605 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1OC 163276806 XNCUQPMSTBCVLW-SXDQJOKOSA-N 662.680 5.945 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222581122 PNCRHHVRXDVZMX-VWLOTQADSA-N 665.596 5.746 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223873776 PGMPUVSWDMBBNX-WNSROMTISA-N 741.694 6.969 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225294201 LKBMIQJKBCLLKL-MGBGTMOVSA-N 642.778 5.655 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225315098 LSHFSEGEKPDTII-HZPDHXFCSA-N 512.459 5.467 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 261008531 ROTFTENDAVWMOA-UUWRZZSWSA-N 654.789 5.797 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408631518 FIDXQAPMSIQJIH-XKZIYDEJSA-N 601.435 6.131 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408683979 MRHQQUJLTMIVON-UHFFFAOYSA-N 573.603 6.715 5 40 KKBB CCN(CC)c1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408755901 GGVDTWQXZVFILY-UHFFFAOYSA-N 559.420 6.901 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408770625 ZRKKOGBHVRLXDL-LHJNOJRUSA-N 717.598 5.489 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 408831565 QYXKDZAXZSSKBU-MFCBUNOESA-N 666.525 5.496 5 40 KKBB O=[N+]([O-])c1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)ccc1Sc1nnnn1-c1ccccc1 408991469 OHTCETHIDDYOCH-UHFFFAOYSA-N 517.596 5.368 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409032189 LJWOSUYBEGGWJI-LMWPEEHHSA-N 801.068 5.652 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409042887 DIFURXKUOBXSAM-PGUFECHJSA-N 939.519 5.445 5 40 KKBB CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409066655 LYJVDJKXLJFDMF-CXUHLZMHSA-N 542.205 5.755 5 40 KKBB O=C1N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1Cc1ccccc1F 409068001 FGRDAABCFZBBQP-SRZZPIQSSA-N 699.214 5.615 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409101654 WYFZCAOIIJHTNW-KMBIYUNPSA-N 611.507 5.579 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409155245 CQIDHNROYJKGMP-FSJBWODESA-N 600.403 6.693 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)ccc1Cl 409160727 ZBJXMCOGMVLOJC-GRSHGNNSSA-N 552.392 5.534 5 40 KKBB Cc1c(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409232286 PWLAXHRSJUGAEI-AFUMVMLFSA-N 517.994 6.796 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409236077 RPLZMZCSONTXFR-ZVHZXABRSA-N 568.007 5.901 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409273666 KUHOFKFCSJKROO-CVKSISIWSA-N 561.616 5.864 5 40 KKBB Cc1ccc([C@H]2C3=C(O)C[C@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)O)cc1 1310604 CZXAPBBBPMLVRH-DFXYEROKSA-N 525.561 6.318 5 40 KKBB O=C(Nc1ccccc1)c1cc(C(=O)Nc2ccccc2)cc(C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 3142873 AXKQHTBQTIXFOQ-UHFFFAOYSA-N 588.645 7.503 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(Br)c3ccccc3C2(Br)c2ccccc21 3181393 GIOWBTFPAZNCPA-LMHXZZLNSA-N 554.194 5.005 5 40 KKBB biogenic O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 89840997 GRWZGWSHUXXAMV-UHFFFAOYSA-N 522.030 5.087 5 40 KKBB COC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(C=CC(c3ccc(Cl)cc3)=NN2c2ccccc2)S1 97951884 UFWXEAXBHQRPNY-RUZDIDTESA-N 519.970 5.422 5 40 KKBB CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 100006950 MQCCJEYZKWZQHU-SBQPXVRTSA-N 584.632 5.547 5 40 KKBB biogenic,in-vitro O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccc([N+](=O)[O-])cc1Cl 102480588 CUOAKPUVNVDKSN-XCVCLJGOSA-N 574.718 5.631 5 40 KKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Br)ccc2OCc2ccccc2Cl)c(Cl)c1 105250993 RFVUEEKBKGTJIG-UHFFFAOYSA-N 525.230 6.445 5 40 KKBB COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Br 105306696 WKHSWSIJROJXLK-UHFFFAOYSA-N 612.462 5.138 5 40 KKBB C[C@H]1N(C)c2cc3c(cc2C1(C)C)[P@@](=Nc1cccc([N+](=O)[O-])c1)(N1CCOCC1)OC(c1ccco1)=N3 195529194 NTPKTTLMGLANLN-CCXGIQIYSA-N 535.541 5.733 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222811414 ZZUDWPIQLSYVAY-XIFFEERXSA-N 786.145 6.935 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c(Cl)c2)o1 224146586 HHDGKRXRCXNLAO-IAGBNBIYSA-N 618.159 7.571 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225185348 PTJPKZSQNHLPJK-OAQYLSRUSA-N 649.141 5.233 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)o1 225357495 PDJLOYFDVACVKP-SVBPBHIXSA-N 530.606 6.223 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc(Br)cc1)N1C=Cc3ccccc3[C@@H]21 248120317 RETAXBVUKMOBNA-FQUZAXHOSA-N 558.388 5.064 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260865835 AIIKJRLLUNQNSD-PMACEKPBSA-N 621.543 5.429 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260994616 OJALDPZUKIIZCZ-MGBGTMOVSA-N 675.207 6.142 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261060414 NSJFIZNBIJHXAB-GOXGLGGOSA-N 663.196 5.998 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408565170 IKPQXBKVAKGTJZ-XQYAGUJKSA-N 528.392 5.149 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C(=O)O)o1 408633499 NKEUOXAEZFPMEI-JAIQZWGSSA-N 513.915 6.093 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408640636 BFWDOOGOEIASRV-CHABCMITSA-N 608.434 5.965 5 40 KKBB O=C(Nc1ccccc1-c1ccccc1NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Br)c([N+](=O)[O-])c1 408673862 VWPCDODKGBCIAO-UHFFFAOYSA-N 640.244 7.200 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5ccc6ccccc6c5C4=C[C@H](c4ccc5c(c4)OCO5)[C@H]3C2=O)c([N+](=O)[O-])c1 408730429 GFJRNTKYEOJQSL-JXVUYSPPSA-N 590.544 5.007 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4ccc5ccccc5c4C3=C[C@H](c3ccc4c(c3)OCO4)[C@H]2C1=O 408733096 WBWJQNBYRMLQGM-GOATXGGQSA-N 574.545 5.307 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 408733955 TUOPWCOFDWMGOY-FUFNRSNVSA-N 660.502 5.989 5 40 KKBB O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(SCc3cccc4ccccc34)sc2c1 408751441 ZLHWSEPPUXDPKN-UHFFFAOYSA-N 515.572 6.601 5 40 KKBB COc1cc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3)s2)cc(OC)c1OC 408822961 DCHCFLHJBPJDQI-UHFFFAOYSA-N 505.552 5.972 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 408828635 NIYUJATXNVHKJT-ZSJKCPIUSA-N 686.943 5.841 5 40 KKBB O=c1/c(=C\c2c3ccccc3cc3ccccc23)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408840429 GEYRUCDHEGUCDP-XNMXCUJWSA-N 555.102 7.279 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 409036737 LYBAYEYALMFEHL-LCQSEVKBSA-N 666.550 5.826 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409077748 GSDWGCSCUCIKSJ-INJWXVQMSA-N 682.549 5.445 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409172933 JLIQKXFFTSNHKA-XRSDMRJBSA-N 736.689 8.857 5 40 KKBB CCc1cccc(C)c1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409173647 NQGKFNBISDOQGC-UHFFFAOYSA-N 532.018 5.270 5 40 KKBB O=C(O[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409177017 ASVLANKCTYJOOE-SANMLTNESA-N 535.961 5.862 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1Cl 409178370 LMINWFCCJLGUFL-FSJBWODESA-N 537.981 5.811 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409184719 ZWVNNQSJQCMSMW-UHFFFAOYSA-N 649.169 5.694 5 40 KKBB COc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 409192411 XACMHQLERAWMDP-JAIQZWGSSA-N 602.191 5.692 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409199233 AGWLYQWFUSMLAZ-FOKLQQMPSA-N 589.851 7.229 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 409258540 XYEMWOOLFDMTAI-FSJBWODESA-N 617.861 6.518 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)c1ccc(Cl)cc1 409270603 HPPDAOLPMHKZJC-QRVIBDJDSA-N 508.939 5.746 5 40 KKBB COc1cc2ccc3c4c(c(OC)c(OC)c3c2cc1OC)C=C(c1cc(=O)oc2c(C)cc(C)cc12)N(C)CC4 604403902 CRNRYLQNWWHTQE-UHFFFAOYSA-N 551.639 6.737 5 40 KKBB biogenic Cc1cccc(C)c1N(C(=O)COc1ccc(Cl)cc1Cl)C(=O)[C@H](c1ccc([N+](=O)[O-])cc1)N1CCOCC1 1436420 UHCKOKANBDNFBJ-MHZLTWQESA-N 572.445 5.531 5 40 KKBB Cc1nc2c3c4c(sc3n3c(SCc5ccc(Cl)cc5Cl)nnc3n2n1)COC(C)(C)C4 2372783 DVAKCLIEFJWQTK-UHFFFAOYSA-N 505.456 5.746 5 40 KKBB COc1ccc(-c2cc(-c3nnc(COC(=O)c4ccc([N+](=O)[O-])s4)o3)c3ccccc3n2)cc1OC 2656774 UJSIXYXMCZBVLY-UHFFFAOYSA-N 518.507 5.296 5 40 KKBB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1F)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 3353778 OXOGWYHPSHVKBD-UHFFFAOYSA-N 506.942 7.022 5 40 KKBB COC(=O)c1cc(Cc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])c(C(=O)OC)c2)ccc1NC(=O)c1ccccc1[N+](=O)[O-] 6879019 SOAMSAZKAIVWBH-UHFFFAOYSA-N 612.551 5.172 5 40 KKBB COc1cc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Oc5ccc(F)cc5)cc([N+](=O)[O-])c4)c3N2)cc(OC)c1OC 8444567 NXHFAHCBVRIXDA-DHLKQENFSA-N 631.539 6.661 5 40 KKBB CC(=O)Nc1ccc(Nc2cc(Oc3ccc(Br)cc3)c(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 96021980 QDFNSYQMNBLCGJ-UHFFFAOYSA-N 574.331 6.145 5 40 KKBB O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 98007361 NUZAJOHAESZGAX-UHFFFAOYSA-N 577.669 5.468 5 40 KKBB Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5CC=CC[C@H]5C4=O)cc3)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 100395910 YOMAUMDTGKVSOO-PLQXJYEYSA-N 575.577 5.614 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 106740688 DWGYZMJGPTVCDH-FMCGGJTJSA-N 545.400 6.726 5 40 KKBB CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2c3ccccc3c(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c3ccccc23)cc1 202779779 ZVNURSBOOLSPRS-UHFFFAOYSA-N 737.088 16.123 5 40 KKBB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 215005081 XXDUITVKLUFRQA-BRJLIKDPSA-N 504.608 6.308 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222929203 ZIDXNLALKVZXMF-HHHXNRCGSA-N 635.570 5.080 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223354908 DJKJIRYHYAVUSB-HXUWFJFHSA-N 700.041 6.401 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223546527 HHBSGKILHPPXCI-IBVKSMDESA-N 508.018 5.346 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225296015 FEMFBBJBRDESEA-RUZDIDTESA-N 700.041 6.401 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 225697454 HUEZVFMPVSBLAB-RRPNLBNLSA-N 527.606 5.560 5 40 KKBB Cc1ccc(COc2ccc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(C)c(C)c3)cc2Br)cc1 408575432 WFQPOPJZUIMWOB-SANMLTNESA-N 567.509 6.953 5 40 KKBB CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1sc2ccccc2c1Cl 408840166 YCQQXEGYFKQCRE-CPNJWEJPSA-N 548.960 6.425 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1cccc(C(F)(F)F)c1 408878894 DLNHZTDVLATMJT-ODLFYWEKSA-N 517.441 5.549 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916529 DVCYAKXHQKRZBC-UFFVCSGVSA-N 628.715 8.133 5 40 KKBB O=C1[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 408919223 UZKRASNYYGYUDN-YQORSWRPSA-N 509.743 5.104 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408999898 SRIGEOSZYGWIFM-MDINZUHSSA-N 738.660 7.309 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409043364 MBUAWBWWLBNWRL-QXMHJZDTSA-N 816.683 6.152 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccc(Br)cc1 409150315 BJGXEIOFNDOAMZ-OEAKJJBVSA-N 517.404 6.431 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)ccc1Cl 409171194 YQNZAODPHNBCIC-FSJBWODESA-N 581.990 5.289 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cccc(Oc4c(Cl)cccc4[N+](=O)[O-])c3)cc2)cc1 409179086 JUDRMHLVQMSKGR-UHFFFAOYSA-N 545.931 6.608 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 409183026 RMZSZYNGZHZDJQ-SANMLTNESA-N 551.467 5.085 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(Br)c(Cl)c1 409198178 ZCZVJTLPPRAKGM-DJKKODMXSA-N 641.681 6.708 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1cccc(F)c1 409241159 RQXDOIYREAQGJG-GRSHGNNSSA-N 546.330 5.431 5 40 KKBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 409322078 WFWDSJVLOHMQLT-RJRFIUFISA-N 592.027 6.377 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 409351722 YOVHNQGCTIPHON-HXUWFJFHSA-N 565.483 5.761 5 40 KKBB CCCC[C@@H](CC)Cn1c(=O)c2c3cc(Br)sc3c3c(=O)n(C[C@H](CC)CCCC)c(=O)c4c5cc(Br)sc5c(c1=O)c2c43 1776010962 LMXXILQLCGIQNL-QZTJIDSGSA-N 760.614 9.453 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 1307670 KFXBECWPPMHJFR-MJGOQNOKSA-N 563.945 7.211 5 40 KKBB COc1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3c2=O)cc1 1807442 OYEIIECRUNOJGP-UHFFFAOYSA-N 535.814 6.394 5 40 KKBB O=C(Nc1ccc(Cc2ccc(NC(=O)c3cccs3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1)c1cccs1 2070423 OIUFKDNLXMCJCJ-UHFFFAOYSA-N 508.537 5.721 5 40 KKBB COc1ccc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1Cn1cc([N+](=O)[O-])cn1 2119155 QWMDFCYRRJPCCR-NDEPHWFRSA-N 509.566 5.144 5 40 KKBB biogenic CCc1nc2c(c(=O)n1-c1cc(Cl)ccc1Cl)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 2223470 MYXCRQGJLJOXNI-UHFFFAOYSA-N 514.416 6.759 5 40 KKBB COc1cc2c(cc1OC)[C@H](COc1cccc(C(F)(F)F)c1)N(C(=O)c1cccc([N+](=O)[O-])c1)CC2 3006850 CKWCAZOZIKLENW-QFIPXVFZSA-N 516.472 5.449 5 40 KKBB CCCCCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2nc3ccccc3nc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1OCCCCC 8385449 KWXLSAMVVZDBBJ-UHFFFAOYSA-N 680.718 8.242 5 40 KKBB O=[N+]([O-])c1ccc(CSc2nnc3c4c5c(sc4nc(SCc4ccccc4)n23)CCCC5)cc1 9312527 ICBNBBMSIVAAHT-UHFFFAOYSA-N 519.677 6.711 5 40 KKBB Cc1ccc(NC(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)Nc4ccc(C)cc4[N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 33354178 AIMNKQNWBYRURV-UHFFFAOYSA-N 606.569 6.174 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 96022733 ZXSCXSAJACHKSR-XUNZLQEVSA-N 612.599 5.685 5 40 KKBB COc1ccc(Cl)cc1NC(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12 101307990 NZMKGDDVLRLHFW-UHFFFAOYSA-N 581.010 5.263 5 40 KKBB CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2-c2ccc(Cl)c(Cl)c2)s1 150412839 PHJBYKAUBUTVKW-UHFFFAOYSA-N 639.572 5.415 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1 164508377 LXXKJODRCXYWIK-CTHKJOMYSA-N 757.575 6.315 5 40 KKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccc(I)cc1 215222005 GMTHXDOFSCMMTI-LPYMAVHISA-N 572.380 6.015 5 40 KKBB COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 225099363 KERWIBXMHNSFPL-MHZLTWQESA-N 600.499 5.988 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 225141431 LEXFMVKBDIWLAC-UIOOFZCWSA-N 562.051 6.675 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225619719 HJXCHVDWVUFGCS-JIPXPUAJSA-N 601.125 5.166 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247333511 PQCZGDMCCXFVTA-YCAMKHIRSA-N 534.355 5.300 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c1 408568587 IBEAGHDDMDFMPH-XMMPIXPASA-N 505.556 5.481 5 40 KKBB O=[N+]([O-])C[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 408577770 ZUKJZCNLALYZLB-FQEVSTJZSA-N 520.210 7.225 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1C 408641053 JILJHZJDCWCKOU-UHFFFAOYSA-N 595.222 6.362 5 40 KKBB Cc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Nc4ccccc4C)c3cc12 408719861 GSWYECSRKLXJEI-UHFFFAOYSA-N 598.706 9.238 5 40 KKBB Cc1cc(Br)ccc1-c1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1ccc(N(C)C)cc1)C2=O 408757461 NPZYYXQTUURWBZ-UHFFFAOYSA-N 530.378 6.353 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408767745 GUEDXKRYOVRWFL-AUPFZTMHSA-N 852.352 6.590 5 40 KKBB O=C(Oc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)cc1)c1cccc([N+](=O)[O-])c1 408841715 JYBZUVDKFHOWPX-MRWVFDTMSA-N 620.086 6.100 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)n32)cc1 408852199 DCWPJVXNPFAXTA-SAGCDJCOSA-N 677.695 5.881 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)cc1OCC 408940479 USJGSYUJWSKNIQ-VDDLRNDKSA-N 755.556 5.195 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408985597 NTBMIDSJFHTESB-LLXISZFLSA-N 682.154 6.085 5 40 KKBB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409136449 TVOJAFMFUCYYRV-OAQYLSRUSA-N 531.038 5.026 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409351055 XGAJGOJFPIGVID-GKTKDVHMSA-N 713.006 6.018 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 1787099 YALSAMYVVLKJRV-LEWJYISDSA-N 575.906 7.289 5 40 KKBB CC(=O)c1ccc(Sc2ccc(-c3cc(-c4ccc5ccccc5n4)nc4ccc5ccccc5c34)cc2)cc1 1876916 CFSZSJXJLPRPIC-UHFFFAOYSA-N 532.668 9.624 5 40 KKBB C[C@@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3340934 RAGUHFJLSRBBFO-LLVKDONJSA-N 590.800 5.679 5 40 KKBB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 8835718 UANWXMQFMKVDNE-UHFFFAOYSA-N 504.012 5.104 5 40 KKBB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 21576616 QVDAMGRWBQSTBI-JLHYYAGUSA-N 522.989 5.609 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 33358553 DBKXALWMUYNSQD-SFTDATJTSA-N 557.916 7.150 5 40 KKBB CC/N=c1\cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)NCCCCCCN)c-2cc1C 43763975 JADGCMMYVXWGNX-AWQADKOQSA-N 512.698 6.423 5 40 KKBB O=[N+]([O-])c1ccc(/C=C2\CCC[C@H]3C2=NN(c2nc(-c4ccc(-c5ccccc5)cc4)cs2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 102971336 NRERLGVASAWBHW-YXMZFDAYSA-N 613.699 9.095 5 40 KKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150349551 MHPJVBXNJRHGKU-XLRGKSQSSA-N 718.717 9.699 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224273296 FIRNEJBDQIPAQR-XIFFEERXSA-N 721.276 6.624 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224426343 AOHJRHXVPNZSPZ-SANMLTNESA-N 537.657 5.522 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224489790 DQACUDNJKFTCNT-VWLOTQADSA-N 574.461 5.455 5 40 KKBB CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C\C1=C(C)C[C@H](O)CC1(C)C 299888460 KBPHJBAIARWVSC-VFMRPTSRSA-N 568.886 10.403 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 408575393 WCZTVSMLFIJAGO-RUZDIDTESA-N 601.498 6.874 5 40 KKBB CCOc1cc(CNc2ccc(Br)cc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408604578 DXRJVYQUMKPOCT-UHFFFAOYSA-N 597.247 6.860 5 40 KKBB COc1cc(CNc2ccc(Br)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408614127 YQFQKNGKZJDURG-UHFFFAOYSA-N 536.220 6.628 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408683645 LWNIYWWVAPVIIN-SNINSWTHSA-N 692.981 6.906 5 40 KKBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408688907 XEJMDECOQBYWRH-UHFFFAOYSA-N 597.194 5.753 5 40 KKBB C[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 408719442 PFTLSNXUPTXSMX-RRDXFFBTSA-N 512.949 5.574 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)S2)cc1 408778966 NSZNMOJFTWDRHF-CBYYHRJHSA-N 540.439 6.098 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 408828633 NIYUJATXNVHKJT-QARYAGPDSA-N 686.943 5.841 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(C)cc4[N+](=O)[O-])C(=O)[C@H]32)c2ccc(OC)cc2)cc1 409047778 PKXWROMDZQYJDA-JQDNXDNNSA-N 522.557 5.344 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409101979 XJGOTANGKACIGK-FATJQOLTSA-N 591.733 5.427 5 40 KKBB O=C(O)COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409112704 GEGXDRQWTLVEJK-GDLZYMKVSA-N 523.545 5.420 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409170514 VCWPZYACCFPRCD-ZMOGYAJESA-N 578.559 5.677 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409269453 BVCOCESXGDIIHN-MWLSYYOVSA-N 547.592 6.670 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)n1C 409346317 KAXKCMZKTKMACM-FQEVSTJZSA-N 551.456 5.196 5 40 KKBB CCOC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C 2757707 DGRLRRDJSUQJDS-UHFFFAOYSA-N 569.945 6.627 5 40 KKBB Cc1cc(Oc2cc(NC(=O)c3c(-c4ccccc4)nn(-c4ccccc4)c3C)cc([N+](=O)[O-])c2)cc(C(C)C)c1 3139624 IIZYGXCACAKVHU-UHFFFAOYSA-N 546.627 8.232 5 40 KKBB Cc1nc(SCC(=O)Nc2nc(Br)sc2Cc2ccc([N+](=O)[O-])cc2)sc1Cc1ccccc1 3434857 RCWINWZUWBVSJV-UHFFFAOYSA-N 575.535 6.491 5 40 KKBB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14278088 BMTDKIQKTXEGPK-UHFFFAOYSA-N 500.555 5.924 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccccc1 59247858 CZMBYWOIBVUOMW-AHQATDLNSA-N 577.618 5.104 5 40 KKBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 96022654 XRNAPTJIDRDNAA-YCHSFTQXSA-N 727.073 11.014 5 40 KKBB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccc(Br)cc5)cc([N+](=O)[O-])c4)c(Cl)c3N2)cc1 97949205 BETFYNBAUVZZSY-VXKWHMMOSA-N 666.838 7.921 5 40 KKBB CCOc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]3c2ccc(OCC)cc2)cc1 97983326 OVEBLQBUPDIOPA-AMDUHLOVSA-N 560.050 7.482 5 40 KKBB COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccc6c(c5)CCC6)cc([N+](=O)[O-])c4)c(Cl)c3N2)cc1OC 97999611 WFXYOFDUQQANJC-JYFHCDHNSA-N 658.033 7.656 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cccc(COc6ccc(Br)cc6)c5)nc34)c12 98046184 OHLHRCPMEDZVJI-UHFFFAOYSA-N 552.404 7.142 5 40 KKBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCc4ccc(OC)c(OC)c4)c3)CC2)cc1Br 100233222 WLFDRZLNBYBMIM-UHFFFAOYSA-N 599.482 5.000 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl 100358618 NMBQURWGWVQZCY-FOKLQQMPSA-N 545.400 6.726 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 100364660 BMFSDEJRCNJAED-ZMOGYAJESA-N 559.427 7.116 5 40 KKBB O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 103602784 RMVMWKIXQRQJKV-GKIKGMKOSA-N 571.589 5.317 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Cl 105308040 ZYWIKNCWSCKVSI-UHFFFAOYSA-N 536.013 6.092 5 40 KKBB CCCOc1c(I)cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OCC 106728271 BBSBKXPBUKZEIU-UNOMPAQXSA-N 568.389 5.623 5 40 KKBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)c(Cl)c1 107627500 RHNMMIHRFLJZJR-UHFFFAOYSA-N 538.409 5.361 5 40 KKBB COc1ccc(COc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1 150383427 MNIDALKYTKSYDD-UHFFFAOYSA-N 636.501 8.273 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1 163537433 SVQFVFWVVNVVLU-OXDPQRGISA-N 666.643 5.683 5 40 KKBB C[C@H]1C[C@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 163936320 AVMMTHFOWFBPDJ-QYBDOPJKSA-N 717.612 10.066 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214982796 KQEHAMSTMGGZNZ-WSDLNYQXSA-N 559.825 6.826 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225438692 HASXLARYVHTJQJ-YTTGMZPUSA-N 663.196 6.000 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225592020 CFVLAJYPTOTFOD-KDYSTLNUSA-N 601.125 5.166 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225736236 YKWNMDMWBHGYNY-UMSFTDKQSA-N 672.804 5.519 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 261064738 OJPWCFJSOLSINI-HRFSGMKKSA-N 665.596 5.231 5 40 KKBB CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408563528 AVSNPSNAEHNNAN-WQWSHVPRSA-N 577.262 5.857 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408568125 HSYLVQWUYACAIR-XMMPIXPASA-N 593.920 7.624 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(F)cc1 408568236 HZFUFUDMDJMHGI-HSZRJFAPSA-N 533.412 6.711 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1Cl 408569513 JJTQAHAAOYCPPD-RUZDIDTESA-N 543.020 6.456 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3cccc(C)c3)cc2Cl)cc1 408569979 KLXFHANEQSXKPK-XMMPIXPASA-N 543.476 7.188 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1ccc(Cl)cc1 408570294 KUELDERSBDWEEM-HSZRJFAPSA-N 604.870 6.589 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 408570667 LUZIEFWCAJWYHY-AREMUKBSSA-N 599.507 6.435 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 408620407 ITFUCWRIHLCKGW-BIQRORRISA-N 542.975 5.689 5 40 KKBB COc1ccc(-c2ccc(/C=C(\Sc3n[nH]c(-c4cc(Cl)ccc4OC)n3)C(=O)O)o2)c([N+](=O)[O-])c1 408633532 ZNLHSJSNTDPKTK-JAIQZWGSSA-N 528.930 5.528 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408642327 MVDJADDVAKPGEN-PDNQGOMLSA-N 841.098 7.808 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1C 408650261 MCTNNIQAIFUZPL-FBVYBBNNSA-N 585.616 5.344 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408663064 YCUKCAZEGPTTMR-GOTSBHOMSA-N 594.407 5.885 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408687689 USVORSBQROQZRA-TUSFPTNYSA-N 624.091 5.599 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688417 WGVIJMRSQNIUCW-FZDFQQAASA-N 598.442 6.351 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408734367 XMWNNLVACBOAAO-DQARITGZSA-N 684.941 7.187 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408769564 OAEYPCONHFFODZ-JYNXQWRTSA-N 725.530 5.187 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1OC(C)C 408833126 SZHSJXGESGAILD-SELCLYCASA-N 643.718 5.081 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408834620 WRGWHANLWIECKV-CRCYZHLCSA-N 821.431 5.803 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 408872437 NIZXJBLDRVERNO-KSEXSDGBSA-N 621.977 6.530 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 408927835 RZQVSTILGDCDOW-ISZRBDKASA-N 636.730 5.498 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409101074 PJHXRFCGNKDQFY-GVMLUORFSA-N 611.507 5.579 5 40 KKBB COc1cc([C@H](c2c[nH]c3ccccc23)C2C(=O)OC(C)(C)OC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409121252 UDAFSKYKFYHYTO-XMMPIXPASA-N 609.429 6.010 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(SC)c4)C3=O)o2)c([N+](=O)[O-])c1 409168111 KFNOLSYAIZMYIB-CIAFOILYSA-N 525.564 5.260 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409192106 ADCRCJQUQPONHW-GJKZIJEQSA-N 745.283 6.578 5 40 KKBB CCCc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)N2C=C(Cl)C=C(Cl)C2=N3)cc1 3309925 CQVGLFRCDVGBOS-NDEPHWFRSA-N 556.453 8.052 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)c1ccccc1C(c1ccccc1)=NN2c1ccccc1 9045453 UYLMYQFDWWXYKM-GDLZYMKVSA-N 519.586 6.134 5 40 KKBB CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13098713 KROWSNNYUWSYEA-QGZVFWFLSA-N 518.513 6.067 5 40 KKBB CC1CCN(CC(=O)Nc2sc3c(c2C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H](C(C)(C)C)C3)CC1 15946696 OOEBAISIBCNEQL-GOSISDBHSA-N 512.676 5.730 5 40 KKBB CCCCC1=C(C)c2nc1cc1[nH]c(c(C)c1CCCC)c(-c1ccccc1OC)c1nc(cc3[nH]c(c(C)c3CCCC)c2-c2ccccc2OC)C(CCCC)=C1C 85902344 USMIBWVIXJOSMQ-UHFFFAOYSA-N 803.148 15.210 5 40 KKBB biogenic CCOC(=O)c1c(C)nc2c3c1-c1ccc(cc1)-o-n=c1CC(C)(C)Cc4nc(C)c(C(=O)OCC)c(c4-1)-c1ccc(cc1)-o-n=c-3CC(C)(C)C2 96022776 SBTBGIJAFCSRSJ-UHFFFAOYSA-N 700.836 8.793 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 98048843 HCUASSZGQJKMAB-JLNIMSJUSA-N 671.536 8.091 5 40 KKBB O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 102894972 BWYFQTHFDLOHJB-OLUZHXLYSA-N 585.572 6.018 5 40 KKBB O=C(Nc1cccc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)/C(=C/c1ccccc1F)NC(=O)c1ccccc1 113564272 AVYQRMUDSOGKRZ-VBSNSAIWSA-N 610.623 5.568 5 40 KKBB C[C@H](CCC(=O)NCCC[N+](C)(C)C[C@@H](O)CS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118912955 HWYJEBSPZZWBMD-GEDDHWEJSA-O 583.900 5.283 5 40 KKBB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2ccc([N+](=O)[O-])cc2)cc1 150472150 BBQMDLZUNSLQPG-DEOSSOPVSA-N 643.707 5.239 5 40 KKBB O=C1S/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214987223 QKLPQVGSWBLLEC-CIAFOILYSA-N 698.276 6.620 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224710185 CWRKORGQSMPCNM-MHZLTWQESA-N 601.125 5.023 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225174550 UAOMJNCNZIBSJB-NDEPHWFRSA-N 705.661 6.670 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 225749220 BPFFGAHQQJQNPP-XIFFEERXSA-N 642.778 5.511 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)c(OCC)c2)cc1 408568114 HSBIHINUIIZSIZ-MHZLTWQESA-N 534.638 6.062 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408568337 TWPMLYBKOOEWNA-USCUKXROSA-N 534.012 5.372 5 40 KKBB Cc1cccc(OC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Oc5cccc(C)c5)c4cc23)c1 408720430 ONVZBCCKCXTDTH-UHFFFAOYSA-N 600.674 9.172 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733609 MDSCXCGBWZONQT-VPVLBGOXSA-N 705.914 5.233 5 40 KKBB COc1ccc(-c2ccc(/C=C3\S[C](Nc4ccccc4)N([C@@H]4CCCC[C@H]4C)C3=O)o2)c([N+](=O)[O-])c1 408813854 VHRFUXGKUARWJK-SMXSYJTMSA-N 518.615 6.917 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n21 408936092 FKESLOOGBHXALX-NFYDWNOTSA-N 672.941 5.780 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 408995421 COFZZRZBYSQFKQ-MFUBYVTQSA-N 628.888 5.382 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409033101 LARLNNCMJRHRTF-PANBRXNZSA-N 888.646 5.361 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1 409036601 RXKYGCAYQCVTOI-LCQSEVKBSA-N 587.654 5.062 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 409194122 OCUPNUQXTMASHB-TZUCAZQYSA-N 810.152 6.949 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OCC)c3)C2=O)ccc1Cl 409194348 AYCNZNFDETWAEL-FMCGGJTJSA-N 627.031 5.686 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409260326 OQOXJKAVZHMROV-JVWAILMASA-N 709.518 7.005 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1F 409272277 FSMOMSDYEPGFAI-ZMOGYAJESA-N 522.510 5.241 5 40 KKBB CC(=O)Nc1ccc(Oc2cc(NC(=O)c3cnn4c(C(F)F)cc(-c5ccccc5)nc34)cc([N+](=O)[O-])c2)cc1 1005636 OCMHRQPYKKTDAG-UHFFFAOYSA-N 558.501 6.245 5 40 KKBB Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2ccc3oc4ccccc4c3c2)cc([N+](=O)[O-])c1 3139668 WDUKGIUJIFUUEB-UHFFFAOYSA-N 521.873 5.992 5 40 KKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 9158122 XJPORUHAVRESTE-UHFFFAOYSA-N 515.617 7.144 5 40 KKBB O=C(OCc1ccccc1)Oc1cccc(N2CCN(C(=O)c3c4ccccc4nc4ccccc34)CC2)c1 26522690 CWDWALMMJFUODZ-UHFFFAOYSA-N 517.585 6.066 5 40 KKBB Cc1cccc(Cl)c1OCc1ccc(-c2nc3c4sc5nc(C(F)(F)F)cc(C)c5c4ncn3n2)o1 98046164 CXPZCJGZZYRVNT-UHFFFAOYSA-N 529.931 7.015 5 40 KKBB CC(C)(C)[C@@H]1CCc2c(sc3nc(SCC(=O)Nc4ccccc4[N+](=O)[O-])n(-c4ccccc4)c(=O)c23)C1 100284243 UMGIJBADTVVQPS-QGZVFWFLSA-N 548.690 6.237 5 40 KKBB COC(=O)c1cc(NC(=O)c2cc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccccc3c2O)cc(C(=O)OC)c1 100988478 BBWHDXQVADKUQC-UHFFFAOYSA-N 577.527 5.339 5 40 KKBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 101895220 ZROFMDBZHNTQJE-JWABDOFGSA-N 575.496 7.939 5 40 KKBB Cc1ccc2oc3cc(NCCCN4CCN(Cc5ccccc5)CC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 102481418 YZIHHGVEYVMPDO-UHFFFAOYSA-N 558.682 5.869 5 40 KKBB C[C@H](NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103053715 YWTZHPUSGYJAHZ-ROYATCLZSA-N 570.893 5.147 5 40 KKBB CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 103056247 PQZWFHYITPGIHW-UHFFFAOYSA-N 561.012 6.273 5 40 KKBB CC(C)(C)c1cc(/C=C/c2cc(/C=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c1O 104108729 XATKKLKCHOLDIJ-WXUKJITCSA-N 628.810 10.445 5 40 KKBB O=C(NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306241 XIWNNYNMKJYHRU-UHFFFAOYSA-N 543.605 5.710 5 40 KKBB O=C(NC(=S)Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105315332 HCHZXESDJOVHGO-UHFFFAOYSA-N 528.590 5.485 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 111465646 ACZCHNATUGCGGZ-ZHGFHMGHSA-N 607.644 5.112 5 40 KKBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112240164 FZUYGQVBGSWVGX-UHFFFAOYSA-N 554.053 5.488 5 40 KKBB COc1ccc(-n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 150372816 ZKODVGBITVAEDA-UHFFFAOYSA-N 630.708 5.691 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c2=O)=N1 164181019 YWWFHYFUGVPPQC-FZEVDNDPSA-N 783.610 5.976 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224685837 CKNJUIDGETZDDP-AREMUKBSSA-N 679.623 5.994 5 40 KKBB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224768059 RFZXKDDAYCXKIX-CLJLJLNGSA-N 531.663 5.766 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224854364 MXPQEMXTJIYPPJ-OAQYLSRUSA-N 647.581 5.963 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225319628 JNVHGNOGIKWBAI-HHHXNRCGSA-N 665.596 5.748 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 229947975 GKACDUHCMJDVPI-CLWMVSBGSA-N 571.589 5.460 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260977189 NLIXVBNEFOBUNA-UXHICEINSA-N 621.543 5.429 5 40 KKBB Cc1noc(/C=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1[N+](=O)[O-] 408541225 CCPAOODBKBPRNE-DJWKRKHSSA-N 514.210 6.543 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 408629600 DZYFTSFOAJWRJG-UHFFFAOYSA-N 513.881 5.101 5 40 KKBB O=C(O)/C(=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)Sc1nc2ccccc2[nH]1 408634765 UEHQXNHATSPNCV-BRPDVVIDSA-N 558.619 7.814 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408682502 JIEYMVCFFFHZRX-UHFFFAOYSA-N 573.603 6.715 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730873 UZQQYRKAIWZRIF-YOURIZNBSA-N 689.338 5.197 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5cccc([N+](=O)[O-])c5)c(OCC)c4)c(=O)n32)cc1OCC 408933275 AFIBVABTQAVYHB-SXSMZTLPSA-N 694.162 5.355 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408943466 SSBDPNKVLCSWNI-ITNPZBTBSA-N 692.588 5.835 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c2=O)=N1 409045886 JKGLIUQDMUOMNX-LCQSEVKBSA-N 682.549 5.526 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409129823 SQOCSOAHWJHCAV-NLRVBDNBSA-N 518.591 6.242 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409205607 RLVNDGOGVIFCRO-FSJBWODESA-N 598.431 5.620 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 409238794 BNSFFYOHBCLLTC-WSDLNYQXSA-N 588.425 6.164 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409240723 HPJWIZIWBMVWBG-LPYMAVHISA-N 599.381 5.270 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409254461 DRTQBXVOKXBFTR-BHGWPJFGSA-N 636.004 7.441 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 3669540 GPPGSMPOUYAXEO-UHFFFAOYSA-N 530.425 6.520 5 40 KKBB COc1ccc(-c2cc(-c3ccc(F)cc3)c3c(N)c(C(=O)Nc4ccc([N+](=O)[O-])cc4)sc3n2)cc1 8974675 PMIZJOZIDYDBQW-UHFFFAOYSA-N 514.538 6.521 5 40 KKBB CC(C)(C)C(=O)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 9009576 JWJMOAGUGRHVMR-SQRAXXTESA-N 521.573 5.183 5 40 KKBB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 13858073 IECFGRMHFGWOOB-HSZRJFAPSA-N 515.747 5.018 5 40 KKBB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 35147465 JSTGVWFTENLIFM-SANMLTNESA-N 512.522 5.310 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 96022735 CSEVLRDDKRAYBV-JWABDOFGSA-N 612.599 5.685 5 40 KKBB O=C(OCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])o1 97979939 LWMNBOFUVOGBED-OGQMTQSJSA-N 521.476 5.446 5 40 KKBB COc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4)cc3C2=O)cc1 98043416 RVRBRFLTFVKUFT-UHFFFAOYSA-N 525.542 5.808 5 40 KKBB O=C(Nc1ccccc1[N+](=O)[O-])C(=O)[C@H](C(=O)c1ccccc1-c1ccccc1)[C@@H]1OC(=O)c2ccccc21 102933788 NXGPSBMKJWIUQL-LBNVMWSVSA-N 520.497 5.180 5 40 KKBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2cc(Cl)ccc2o1 105305752 SOIKKCHYWKGYNB-UHFFFAOYSA-N 550.040 6.482 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105308074 WFRASJCRSQYJLD-UHFFFAOYSA-N 566.437 5.893 5 40 KKBB O=C(NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105314392 AIIJZVQTGIBBMD-UHFFFAOYSA-N 536.017 5.099 5 40 KKBB O=C(NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105315185 KYOJCROJXJFPAK-UHFFFAOYSA-N 526.530 5.980 5 40 KKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 112237778 CYKPDHDNVWMAQX-UHFFFAOYSA-N 562.431 5.808 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c2=O)=N1 163457676 JDNBTNDDSNPRAX-KFOJKGMOSA-N 686.743 6.319 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4Br)C(=O)[C@@H]23)cc1 163993273 GEDAZBQQEHNXOF-MHDNGKQISA-N 709.596 8.163 5 40 KKBB Cc1cc(C(=O)O)ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224789108 NKBCIVXMVRWZPV-KYJUHHDHSA-N 608.701 7.585 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccn(C4CCCC4)c3)cc2)cc1 224790379 ZURKORDWSWBHID-NSOVKSMOSA-N 541.702 7.235 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225310882 OZIWBUYOONZAMT-MUUNZHRXSA-N 534.056 5.880 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 408576052 XGMYSFBNJMPTEQ-HHHXNRCGSA-N 605.514 7.189 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C 408577783 ZWHVVEINPZNDFY-VWLOTQADSA-N 543.476 7.188 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408648226 JUOOFISPECWDOC-MFTWVQLTSA-N 677.669 5.946 5 40 KKBB Cc1cc(Br)ccc1-c1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1cccc3ccccc13)C2=O 408758008 UGGHODOXZPEUSC-UHFFFAOYSA-N 537.369 7.440 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 408837622 KBYFCYMKYFJHHE-KYRGTEIWSA-N 679.629 5.679 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 408953413 WESIWDYBEVRMDK-ORVZPOCUSA-N 652.523 5.435 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409048000 VOIWGRNEILRCLZ-IWIPYMOSSA-N 646.459 6.211 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)N1CCc2ccccc2C1 409275123 YUSZYUPEOZDHSN-DICXZTSXSA-N 552.612 5.219 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 1311090 PWBCNOWNLUBNBZ-ARNLJNQMSA-N 582.407 5.075 5 40 KKBB CC(=O)N(C(C)=O)c1cc(N(C(C)=O)C(C)=O)c(/C=C/c2ccccc2)c([N+](=O)[O-])c1/C=C/c1ccccc1 3845329 INTJSDSHKVQTFE-YTEMWHBBSA-N 525.561 5.734 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(-c2nc3ccccc3o2)c1O 8835165 MSAJRGMJKIQHEP-UHFFFAOYSA-N 514.519 5.804 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(-c3ccco3)c2c1N 12250039 KYTBGSISWGYKJT-UHFFFAOYSA-N 504.955 6.928 5 40 KKBB CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@]2(C=CC(c3ccc(Cl)cc3)=NN2c2ccccc2)S1 16138901 HQGZUOMEQXGVEY-RUZDIDTESA-N 503.971 5.838 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 100281008 LMIHRZXIXNLPGB-GOSISDBHSA-N 535.691 6.807 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccc(Cl)cc3)[C@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 102532670 DKMJTUAQYUCHDF-MUUNZHRXSA-N 515.997 7.283 5 40 KKBB COC(=O)c1cc2c(s1)N=C(c1ccc(F)cc1)N(C)[P@@]2(=Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1 102940392 TWXKOBYUGHYNOP-PSXMRANNSA-N 541.545 6.080 5 40 KKBB COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCc1ccccc1[N+](=O)[O-] 106745727 FFABRXIDQPCBMY-QRVIBDJDSA-N 521.507 5.327 5 40 KKBB O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 108184195 AMMKMQGMPRQLJJ-UHFFFAOYSA-N 519.454 6.069 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)c1 150393269 AFWZADWGXQXQAK-USDTVRPUSA-N 671.529 5.813 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163737423 OHZMIGFURRVOLH-GJFKPFFXSA-N 674.053 5.490 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 205698139 OMFKQPHUSOVNAS-YDZHTSKRSA-N 650.878 7.067 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222840013 APECMRIRELJBLJ-NRFANRHFSA-N 631.151 5.093 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223489958 CTYBCVXPLUEHNF-RXFWQSSRSA-N 508.018 5.346 5 40 KKBB O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 230089965 RMVMWKIXQRQJKV-ZXYZSCNASA-N 571.589 5.317 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 408567072 GHGBGZAUQZIIJK-MHZLTWQESA-N 603.528 7.369 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 408571112 NRFIQAPUVOSUBM-RUZDIDTESA-N 617.953 7.388 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408571655 PKHDKXXOLKIXRI-DEOSSOPVSA-N 529.449 6.880 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408571851 PSAIJSPJNQYRNG-VWLOTQADSA-N 652.398 8.041 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1 408618156 CIXWEBSMMMMYGY-MHDNGKQISA-N 665.145 8.054 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408638662 DBNGRWLBVKUNPA-UHFFFAOYSA-N 766.171 7.726 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)c1 408643329 AHEUHAWCSUWOIS-UHFFFAOYSA-N 558.012 5.699 5 40 KKBB Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 408663280 HIDWFWQMJPHWSC-UHFFFAOYSA-N 505.527 5.295 5 40 KKBB CCCCNC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)NCCCC)c3cc12 408720539 UBCUSMLKXQAMRD-UHFFFAOYSA-N 530.672 7.177 5 40 KKBB Cc1cccc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c1 408749468 HATJBRROOFTVCQ-UHFFFAOYSA-N 504.549 5.044 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408757690 OVBBGARAEFBVDW-RIFKOAFWSA-N 711.550 6.699 5 40 KKBB Cc1[nH]c2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408849425 ZXBJIEDNKBURGF-UQDCTOEPSA-N 518.598 5.017 5 40 KKBB O=C1N/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1 409010892 GDEOJECXPNGWDQ-CIAFOILYSA-N 526.318 5.168 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 409040422 IAUDBXSSNVGZJK-MRWVFDTMSA-N 643.718 5.081 5 40 KKBB COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409100294 UYBVDSZWHGILQL-LSCVHKIXSA-N 504.848 6.347 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409147379 YWNUWCOJJNDGNP-JYNXQWRTSA-N 717.425 6.663 5 40 KKBB COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409175227 YDWSOQQVXRXJCD-MHZLTWQESA-N 639.831 7.145 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409194699 QJDBBBIBZBRZGF-ZCWBPALNSA-N 753.646 5.967 5 40 KKBB O=C(c1ccccc1F)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 1317553 JGNJRRHOXRHTNS-UUQNIDNHSA-N 559.553 5.590 5 40 KKBB O=C(COC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 1858082 FGNDUROBISJLEM-UHFFFAOYSA-N 530.920 6.333 5 40 KKBB Cc1ccc(-n2c(CNc3ccc(C)c(Cl)c3)nnc2SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 6280064 IKKXZZHOWSQRES-UHFFFAOYSA-N 537.045 6.097 5 40 KKBB C[C@@H](Nc1cc(N2CCN(C(=O)c3cccc(F)c3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 8984573 ZJGZIICLBHTMIW-HWWKNPRSSA-N 506.622 5.713 5 40 KKBB O=C(Nc1cccc(Cl)c1C(=O)c1ccccc1)C(=S)NCCNc1ccc([N+](=O)[O-])cc1Cl 12375946 SSIREDAYZBNPMS-UHFFFAOYSA-N 517.394 5.100 5 40 KKBB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cccc2c1Cl 57315850 LVIZEPVXCDHPBY-UHFFFAOYSA-N 517.007 5.080 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)c1ccccc1C(c1ccc(C)cc1)=NN2c1ccccc1 97950972 RZANEAVKQLRIMM-PMERELPUSA-N 533.613 6.442 5 40 KKBB O=[N+]([O-])c1ccc(-c2csc(N3N=C4/C(=C\c5ccc(Cl)cc5)CCC[C@@H]4[C@H]3c3ccc(Cl)cc3)n2)cc1 97983153 ZGIZYGDUIOIIGA-SQJCLHSRSA-N 561.494 8.826 5 40 KKBB COc1c(Br)cc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 97999915 WSXPUFFQKUOVSS-VVNKCDPRSA-N 653.352 5.761 5 40 KKBB O=c1/c(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 103841465 FANHPAYEYHFKCV-GSTVVXAASA-N 589.648 5.945 5 40 KKBB O=C(Oc1ccc(N(C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Br)c1ccc(Cl)cc1 150475258 CGXHEOJAZDUBRP-UHFFFAOYSA-N 650.290 6.919 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223244805 NDFFVAFULCMNCN-MUUNZHRXSA-N 624.760 5.138 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224001562 BGDWOWZHDOHHIF-JGCGQSQUSA-N 693.222 5.927 5 40 KKBB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1C 224784351 LFCLGRZZYKMLPQ-CONSDPRKSA-N 577.735 7.726 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225231424 JHAQGYSJIFAOHA-UIOOFZCWSA-N 529.578 5.012 5 40 KKBB COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225516854 DOGCUSDDYXPJAZ-NDEPHWFRSA-N 614.526 6.378 5 40 KKBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 229977792 UYWKKVIQGBEANC-CKPORNQBSA-N 559.553 5.716 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408564454 CZXSVYHGKARFFI-BBFXTFFKSA-N 598.881 5.745 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408564951 GTWVSJORXOCCFF-IPEONRORSA-N 570.415 5.088 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 408569067 IPAHJTSBSVSYGY-DEOSSOPVSA-N 521.555 5.182 5 40 KKBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCCCC1)Sc1nnc(-c2ccc(Cl)cc2)o1 408634060 OIRUKCUBXVRLPC-XSFVSMFZSA-N 500.964 5.896 5 40 KKBB Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408642673 NSCWUMOTNNJNOT-CQSZACIVSA-N 526.332 5.135 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408644058 QPJOAGQRXADBEW-ODEJJYLTSA-N 813.088 8.381 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408651545 GVBQLJMMBCHEOM-ILBOUBIXSA-N 612.469 5.738 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408762047 CGRRUIGFNQLKQG-VEOKEAFVSA-N 929.527 6.649 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1 409041273 UKHAIVLSUXYDIM-PYCBVSLESA-N 613.692 5.073 5 40 KKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1CCCc1ccccc1 409137275 WJRDWUBGAJZBQT-STZFKDTASA-N 513.369 6.286 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409175769 COCQQKZBVVXZHX-UHFFFAOYSA-N 572.083 5.242 5 40 KKBB O=C(COC(=O)c1ccc(COc2ccc(Br)cc2)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409179657 SHDHTVLHJWPSOD-UHFFFAOYSA-N 596.817 7.422 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409204250 DZVGPXPXTMCVRL-FVUPAENESA-N 568.526 6.183 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)C1=O 409263762 BYJBJOZQDOQRGH-FSJBWODESA-N 603.531 6.098 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cc(C)ccc4C)C3=O)o2)c([N+](=O)[O-])c1 409270477 GQRUTIDCQWHBJJ-WSDLNYQXSA-N 507.524 5.155 5 40 KKBB Oc1ccc(-c2c3nc(c(-c4ccc(Br)cc4)c4ccc([nH]4)c(-c4ccc(Br)cc4)c4nc(c(-c5ccc(Br)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1 2113469527 MSDLEIPMURZRMJ-UHFFFAOYSA-N 867.439 13.317 5 40 KKBB Cc1cc(C)cc(-n2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(Cl)c(Cl)c2)c1 2214324 JEMQCEPLBRWXBW-UHFFFAOYSA-N 500.389 6.505 5 40 KKBB O=c1cc(CN(Cc2cc(=O)oc3ccc4ccccc4c23)C[C@H]2CCCO2)c2c(ccc3ccccc32)o1 13149150 DHSCIDOTSSEMDC-RUZDIDTESA-N 517.581 6.387 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-] 22845103 IPBVRSCCNWXJRG-UHFFFAOYSA-N 520.611 5.670 5 40 KKBB CN1/C(=C2\C=NN(c3ccccc3)[P@]2(=Nc2ccccc2[N+](=O)[O-])N2CCOCC2)C(C)(C)c2ccccc21 97983993 GZUHOVYJXSMIMA-FLTIMNJKSA-N 542.580 6.735 5 40 KKBB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)Nc1ccc(Oc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)cc1 98000559 GUXCUQCHZXJFAY-UHFFFAOYSA-N 644.631 8.485 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 100393649 HRAIWGAYERNSEX-ACCUITESSA-N 544.980 5.769 5 40 KKBB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 101360546 ALEUGCUNZUDMMI-RXJAJXMTSA-N 527.374 5.781 5 40 KKBB COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 103541764 GKACDUHCMJDVPI-JCUDBWTNSA-N 571.589 5.460 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@@H]2C1=O 103973486 YZABQCDDSCIHOQ-QGAYDTHSSA-N 585.616 5.626 5 40 KKBB O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 109088127 PHEBIZHHLIFSFX-UHFFFAOYSA-N 529.424 6.114 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1 111465619 JURPVCHJHPIYMB-AHQATDLNSA-N 577.618 5.104 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 150395562 QZVYCGSUAJDBRA-KUSDHMTMSA-N 653.738 5.834 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1 164515540 MQTSXWYJQJMWQC-WAHKBFHJSA-N 661.736 5.822 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222590927 OAOWOSLTCDHSPJ-AREMUKBSSA-N 508.018 5.203 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223827111 ZFUAWEGVSBYROJ-LYZGTLIUSA-N 649.597 5.531 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224603673 GNMGXSXYXFBXFY-MHZLTWQESA-N 649.597 5.531 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224715832 VNHVRDXYGNEIPF-QFIPXVFZSA-N 687.613 5.346 5 40 KKBB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1C 224767655 UPQALUGRDCZVHM-JWQCQUIFSA-N 501.637 5.965 5 40 KKBB O=C(O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 224787319 YJIWQYUNGIDRGE-URLMMPGGSA-N 594.674 7.276 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC 225203329 ZKEKBDYGOSCLJS-SVBPBHIXSA-N 543.605 5.784 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(Br)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 250584649 QJLKXYKLYWLTMO-OOIQZMFUSA-N 587.426 5.798 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260977315 NOOFQUANEOQGTG-RLWLMLJZSA-N 679.623 6.136 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261041129 ZBLSHGVNMUTDCV-PSXMRANNSA-N 714.841 5.815 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1ccccc1 408569614 JVUUTBGRPWCBGO-QHCPKHFHSA-N 525.428 6.027 5 40 KKBB CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OCC 408569886 KDHOCBZBNIVIMB-FQEVSTJZSA-N 541.855 5.899 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n21 408949198 SDLDOLXHMRLBCF-SZYVSPPHSA-N 678.561 5.445 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408992057 ZKCZEPMUMIOUHV-JBVGNYNVSA-N 712.180 6.093 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 409032465 CDWCDAOXUMCLJG-FQKMCRJQSA-N 670.513 5.657 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 409160605 UTSDFJNCVAPPDE-DWLKXISJSA-N 679.751 6.210 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409161274 MCCHSNFLMXTCLS-JFLMPSFJSA-N 683.537 5.457 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c1 409165014 QYYZHTLDNDRFDI-CIAFOILYSA-N 509.565 5.560 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1C 409170938 XGPBZVLHWQMTJH-QRVIBDJDSA-N 554.049 6.691 5 40 KKBB Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1Cl 409178915 KGLVFSVACPHZFX-MHZLTWQESA-N 554.942 6.138 5 40 KKBB CCOc1cc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409192460 CWUPFVQGIXKOQV-SFXXWVNYSA-N 548.935 5.619 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409271557 KBLVUMTWKAWWEK-FMCGGJTJSA-N 537.981 5.811 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl 409340771 BDOIJQNZCWONDR-CYBMUJFWSA-N 537.429 5.043 5 40 KKBB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 409381888 ONTQVCMHTLLHBB-NRFANRHFSA-N 607.426 5.555 5 40 KKBB COc1ccc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1Cn1cc([N+](=O)[O-])cn1 2119157 QWMDFCYRRJPCCR-MUUNZHRXSA-N 509.566 5.144 5 40 KKBB biogenic C[N+]1(C[C@H](C[C@H](C[N+]2(C)CCCCCC2)C(=O)c2ccccc2)C(=O)c2ccccc2)CCCCCC1 13509646 JPLCTHCQAFDEAO-QRRGNZNSSA-N 504.759 6.416 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[P@@](=O)(O)OCC[N+](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 59606225 MWEZHNCHKXEIBJ-RWFZIKKDSA-O 552.801 8.236 5 40 KKBB biogenic O=[N+]([O-])c1ccc(/C(Cl)=C/c2ccc(/C=C(/Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 68563497 QMZVNISRQXPNKX-KFSYKRRRSA-N 531.264 6.793 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 97983825 UVMLGXOHJPBVFH-MRAXCHOJSA-N 558.585 6.146 5 40 KKBB CCOC(=O)c1c(-c2ccccc2)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(F)cc3)cc12 102628719 PVSKRJWFWWZVNS-UHFFFAOYSA-N 588.569 6.360 5 40 KKBB COc1ccc(CCNC(=O)c2ccc3c(c2)nc(SCC(=O)NC2CCCCC2)n2c4ccccc4nc32)cc1OC 102744543 UWUJJARXRDBGIG-UHFFFAOYSA-N 597.741 5.566 5 40 KKBB CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2c3ccc4c(c3CC[C@@]21C)CC[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C4 104131507 FNAULHYKPTWGRS-GYBCTSIGSA-N 576.734 8.372 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 105314469 OCSYFIDAGIIZBO-UHFFFAOYSA-N 592.125 6.442 5 40 KKBB COc1cccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 106703466 SJBBODLXIKJUEW-UUYOSTAYSA-N 521.507 5.849 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 109031924 QRLAEHZDNMQHGV-UHFFFAOYSA-N 588.517 5.989 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)c1 111468265 FQPDBJAPBNRVAS-HDFSHUSISA-N 592.633 5.051 5 40 KKBB O=C(Nc1cccc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)/C(=C/c1cccc(F)c1)NC(=O)c1ccccc1 113563946 OBIVSTWMSFMDMW-WAWVYTBHSA-N 610.623 5.568 5 40 KKBB O=c1/c(=C/c2cc(I)cc(I)c2O)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 150445277 BTTUDEKMLJVGSQ-IZBTWGKQSA-N 733.325 5.142 5 40 KKBB COc1ccc(Br)cc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1cccc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 150484950 VGURGTWPCRZLPX-PKYOQBLNSA-N 701.555 6.200 5 40 KKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccccc1Br 215061497 GRUCMVSZAAJHJQ-LPYMAVHISA-N 525.380 6.173 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224012228 FKWYVVBQXTZOGB-MHZLTWQESA-N 675.204 5.493 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224496165 SSFHHVSVUKLTSZ-WJOKGBTCSA-N 707.647 6.107 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2OC)o1 224585182 NVVCWFRSIYVAGH-JWQCQUIFSA-N 502.552 5.444 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cc(Br)cs3)cc2)cc1 224761643 UVTDAXJQEUTRPZ-XZOQPEGZSA-N 569.531 7.142 5 40 KKBB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)(C)C 225113376 XSIZIDYDNVCYID-KAYWLYCHSA-N 571.659 6.420 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225288772 AIIKJRLLUNQNSD-VQTJNVASSA-N 621.543 5.429 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225313079 UNAWNZQDKMPCHB-SANMLTNESA-N 621.543 5.431 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1cccc2ccccc12 225716501 WSKQHBQUTQBXDV-XZWHSSHBSA-N 563.639 6.404 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 227218334 DCWVYNINOMSNGW-KXANFNGZSA-N 681.542 7.546 5 40 KKBB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)/C=C/c5c6ccccc6cc6ccccc56)CC[C@]4(C)[C@@H]3CC[C@]12C 253502968 HWPKACQLFFCDBD-BVWZKILUSA-N 616.930 11.959 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260993509 QIDFZJXAUSSUFN-OUTSHDOLSA-N 624.760 5.138 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1ccccc1 408571391 OPEOQHZESPBAMK-QHCPKHFHSA-N 594.318 7.334 5 40 KKBB CCn1c(S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)O)nnc1-c1ccc(Cl)cc1 408631051 BSIVGWWDSSRKJK-UCQKPKSFSA-N 615.893 7.086 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408638974 DUXKXCQOPBAMNI-IAIFEWERSA-N 648.466 5.238 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408767746 GUEDXKRYOVRWFL-CJCCVFIKSA-N 852.352 6.590 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 408810776 JSQMYBVBZKHZJI-HMAPJEAMSA-N 602.406 6.418 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(I)c5)c(=O)n42)c2ccccc2CC3)c1 408846672 YGDZARPKGUAOBU-DBHVVYFFSA-N 853.476 7.024 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408866725 ILXKELYGOZGYOS-FMCGGJTJSA-N 587.532 5.876 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n21 408934798 CZYLNVVBDKTUKJ-ZFWDJNJRSA-N 672.941 5.780 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1ccccc1 408990277 KEVMBMYWAQTITH-OBVMJLIASA-N 604.691 5.060 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1 408993231 CXDPNPAYWMKXMI-DJPQNNMESA-N 678.679 5.553 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1 409097363 NLWWBSRIGLGLEC-ASZHOJRSSA-N 726.631 5.213 5 40 KKBB O=C1Nc2ccccc2/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 409111085 BOLPVFCGIZQICQ-MFOYZWKCSA-N 624.172 5.876 5 40 KKBB COc1cc(CNc2cccc(Cl)c2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409121828 WUIGZSFOADSPEP-UHFFFAOYSA-N 538.769 6.361 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(OC3CSC3)cc2)N1Cc1ccccc1 409141362 JLZBGAZPZJFGLD-PMERELPUSA-N 537.641 6.450 5 40 KKBB CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 409164271 FWSJKCPIKHRHDL-GOQPZEPVSA-N 679.751 6.210 5 40 KKBB Cc1cccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 409171904 DFEKFUOJKALIML-HHHXNRCGSA-N 520.497 5.485 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409178352 GSFJRHVBEQHYPO-DHRITJCHSA-N 582.034 6.209 5 40 KKBB CCOc1ccc(-c2cc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 409180284 XUSJRFIXBKEKBV-HKBQPEDESA-N 532.552 6.990 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccccc1 409190380 XYUATLIJUYDSBW-IAOUMNOZSA-N 687.203 5.790 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409198280 BOHNUYDXTCHNKL-NUGSKGIGSA-N 711.772 7.036 5 40 KKBB O=C1N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccccc1 409229154 KMKHAPDKSPZSLD-CIAFOILYSA-N 587.224 5.792 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409242938 PVMVDBGWADGFNF-OEAKJJBVSA-N 579.407 5.030 5 40 KKBB COc1cc(OC)c([N+](=O)[O-])cc1C(c1c(-c2ccc(C)cc2)n[nH]c1O)c1c(-c2ccc(C)cc2)n[nH]c1O 409374012 WSUHBLCQHZXVEC-UHFFFAOYSA-N 541.564 5.600 5 40 KKBB Cc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2300050 WYKCTLLNLQXQGU-UHFFFAOYSA-N 500.389 6.142 5 40 KKBB CCc1ccc(C2=NN(c3ccccc3)[C@]3(SC(C(C)=O)=NN3c3ccccc3[N+](=O)[O-])c3ccccc32)cc1 8442577 LYAGCMSDBQOZDY-WJOKGBTCSA-N 547.640 6.696 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 59247758 SDRAODLIRDWPGE-YVBHXKDBSA-N 585.682 5.707 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(Br)cc3)N4)cc([N+](=O)[O-])c2)cc1 97949103 PHBMBQWMQCLGQQ-ILBGXUMGSA-N 646.420 7.657 5 40 KKBB O=C1Oc2c(cc3c4c2CCCN4CCC3)[P@@](=Nc2ccc([N+](=O)[O-])cc2Br)(N2CCOCC2)N1c1ccc(Cl)c(Cl)c1 97984323 DDRRXUQRCWDYBZ-VZUYHUTRSA-N 707.349 7.702 5 40 KKBB O=C(N1C=CN(c2ccccc2[N+](=O)[O-])[C@@H]1c1nccn1-c1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100217922 UQXRZNAFGOMWLV-FKOJCRHBSA-N 540.580 5.724 5 40 KKBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1cccc(C(=O)Nc2ncc(-c3cc([N+](=O)[O-])cs3)s2)n1 100815946 TVZSSZQJUFUACC-UHFFFAOYSA-N 585.630 5.773 5 40 KKBB O=c1/c(=C\c2c3ccccc3cc3ccccc23)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 100958417 NONKTBHTOJXYGB-ASUJOLEISA-N 526.686 6.687 5 40 KKBB COc1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc([N+](=O)[O-])cc2)CCC3)cc(OC)c1OC 103139155 CQDBQRPCIHXYKO-HKWRFOASSA-N 583.597 5.841 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccnc1)[C@]21C(=O)Nc2ccccc21 103542974 BGAHJQLDWMQREK-VGBJTSDXSA-N 556.578 5.236 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4ccc(OC(=O)c5cccc([N+](=O)[O-])c5)cc4)c(=O)n31)c1ccccc1CC2 104655881 DWVQDGFCXYIKEY-GSTVVXAASA-N 615.667 5.455 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc(F)cc1 105979352 KEQJAIPXDZHCLF-QRVIBDJDSA-N 587.423 6.711 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3cc(Br)ccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 106702588 VPLGUVMNVKASGG-JJFYIABZSA-N 570.377 6.603 5 40 KKBB CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nn12 107923520 SWDRASUHNVLYJK-UHFFFAOYSA-N 533.595 5.019 5 40 KKBB CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@@H]4O 212832864 ZZSBPGIGIUFJRA-ZFQVYDAQSA-N 586.648 5.398 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224246301 CGVOPIPHFCZGJU-AREMUKBSSA-N 540.085 5.648 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224497707 LPSYSRWLGYPSKK-NDEPHWFRSA-N 647.581 5.963 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccc(C)cc1)[C@]21C(=O)Nc2ccccc21 229918504 ZJYJLYAGGWEYIV-XYIJYTLJSA-N 569.617 6.149 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Br)cc3)c(Cl)c1)[C@@H]1CCCN12 408563844 BDEIMUKMDCZMHZ-UQBYDPJISA-N 568.855 5.736 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(F)cc1 408564855 AOMZNPGOFKHBEA-AREMUKBSSA-N 522.602 6.029 5 40 KKBB O=[N+]([O-])C[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1c[nH]c2ccccc12 408567805 HLMFBTBSVYEVCT-IBGZPJMESA-N 520.210 7.225 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(F)cc1 408642275 MQDOQMLCVRXAHZ-WVZRZZCNSA-N 670.091 5.421 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 408727722 WHOZWUHNQOFPJY-DFXMODJXSA-N 635.698 5.447 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c(C)c1 408750679 QFRFULREHUNYHE-UHFFFAOYSA-N 518.576 5.353 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n21 408958730 WNGVMFNHJCMUHP-DQARITGZSA-N 666.550 5.743 5 40 KKBB CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 409244440 CRIMOXDSLITRQG-WOJGMQOQSA-N 524.336 5.225 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 409273577 KBRIGKZVAWNJMD-ZMOGYAJESA-N 587.437 6.799 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2s1 3669358 OCOYGTZBIFLPIS-UHFFFAOYSA-N 507.637 7.055 5 40 KKBB COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1COc1ccc([N+](=O)[O-])c(C)c1 9057774 MOYLPBIFLLZYAV-LJAQVGFWSA-N 509.562 6.258 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCN(C(=S)Nc2ccc(F)cc2Br)CC1 12956258 RHNCLMCJHMJIEL-UHFFFAOYSA-N 521.334 5.424 5 40 KKBB CCN(CC)[P@](=O)(Nc1ccc([N+](=O)[O-])cc1Br)c1c(C)nn(CCOC(=O)c2ccc(Cl)cc2)c1NC(=O)c1ccc(Cl)cc1 97984272 GRSKFOPPGPNDIU-YACUFSJGSA-N 752.390 7.551 5 40 KKBB CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 101589843 XIRUWOOZGAGXCD-SPOCJGCTSA-N 599.599 5.502 5 40 KKBB COC(=O)c1c(-n2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3CCc2ccc(OC)c(OC)c2)sc2c1CCCC2 102425629 QZZPTQFRKPQTED-UHFFFAOYSA-N 609.708 5.579 5 40 KKBB CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103060464 ICZJZIATRJSWEA-MRXMROIASA-N 611.698 7.184 5 40 KKBB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 103536919 MADWQJQPOQQSHX-KCQQKVKYSA-N 601.615 5.594 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 103540849 JOLGNNANNAVUIK-NBJHOTSESA-N 586.560 5.359 5 40 KKBB O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 105318983 LODWSJQMRIKHJL-UHFFFAOYSA-N 529.424 6.114 5 40 KKBB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107952499 WGUTZKSHOSZCHQ-UHFFFAOYSA-N 525.542 6.063 5 40 KKBB Cc1c([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n(-c2cccc(Cl)c2)c1C 224763279 KFLGCFJHWHZESS-ACHIHNKUSA-N 626.207 8.687 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3C3CCCC3)cc2)cc1 224768715 NTHAMOHOLYZZSI-IZLXSDGUSA-N 541.702 7.235 5 40 KKBB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccccc1 224771010 YZUDOSIOABDPBN-ACHIHNKUSA-N 591.762 7.785 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl 225139609 MRBQTAZMSXETRV-CLJLJLNGSA-N 561.067 6.206 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225599884 KBJLIHYRIHYFLU-QFQXNSOFSA-N 679.623 6.136 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1 408557148 NDMHDXMAGPMSAY-UHFFFAOYSA-N 538.769 6.443 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1 408565232 BKJLOSGLANHJNF-QHCPKHFHSA-N 588.415 6.075 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1 408565521 CDXFLHUYZKKGRD-DEOSSOPVSA-N 608.345 7.643 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 408566143 NCMLLRQVRSPGEY-KIHBTMOLSA-N 516.356 5.280 5 40 KKBB Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1C 408637440 KNGYHCQBZAKULY-VWLOTQADSA-N 608.603 6.002 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408637551 AHRGNTUVCCENRO-LWXARWASSA-N 632.456 5.987 5 40 KKBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408639917 GSWZJGOSQFMUCR-QYDVSVIESA-N 696.154 5.679 5 40 KKBB Cc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1 408750515 OGIOSPXRLIPORZ-UHFFFAOYSA-N 536.591 5.503 5 40 KKBB Cc1ccc(N2C(=O)c3cccc4c(-c5ccc(Br)cc5C)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 408757618 NUESJTPTDKMENW-UHFFFAOYSA-N 515.363 6.903 5 40 KKBB COc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 408825580 DVPJRIWZOVPLSO-UQDCTOEPSA-N 567.648 5.557 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408826547 JTPFFTFOHMTJJQ-YRSDHNRQSA-N 747.451 6.754 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)cc1 408853867 YSXXTPHRRYSLLI-UNDLXJOSSA-N 685.556 6.203 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)Nc1cccc(C(F)(F)F)c1 408874359 ANEPIRLTTPSVLQ-FBHDLOMBSA-N 809.298 7.077 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409001658 QBFGNGPEQYGYCL-LHOSBTIMSA-N 720.760 6.676 5 40 KKBB Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 409050263 TUFBHYGZPGHSIY-UCQKPKSFSA-N 742.329 6.807 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409081613 QLDUGKSHBQIQEW-FWJLDYTOSA-N 737.412 6.443 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409182765 NRLGFVVCBJBGIO-SANMLTNESA-N 532.892 6.730 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccccc2)OC1=O 409191693 KWBYMWITTOMRHM-NNLIIISGSA-N 598.203 6.083 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)cc1 409337188 YNKFAKUPNVCMIB-HSNHEXMOSA-N 560.562 5.587 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409374719 XLRITNOOWWPNOG-AFUMVMLFSA-N 701.539 6.777 5 40 KKBB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1 3308998 BFDUKRDYITWCKS-KRWDZBQOSA-N 505.600 5.911 5 40 KKBB O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12495790 NKHCANGLAHAGLT-UHFFFAOYSA-N 502.552 5.600 5 40 KKBB O=C(c1ccccc1)c1ccc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 16476984 QDQBCDGPDGTNBV-UHFFFAOYSA-N 501.607 7.910 5 40 KKBB CC(C)=CCC/C(C)=C/C=C\C(C)=C\C=C/C(C)=C/C=C\C=C(C)/C=C\C=C(C)/C=C/C=C(\C)CCC=C(C)C 32787694 OAIJSZIZWZSQBC-XGASXDSASA-N 536.888 12.938 5 40 KKBB CCCCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 101673746 RTWWHVYTDFRGAQ-ITMBJVNVSA-N 625.725 7.574 5 40 KKBB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)sc(C)c1-c1ccc(C)cc1 103086488 NFWYFMHPGRVUQT-UHFFFAOYSA-N 595.659 5.192 5 40 KKBB CCCCOc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@@H]4[C@@H]3C2=O)cc1 103140174 CMICDHUVEMGCEC-GCFVYEKYSA-N 537.572 5.046 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 103560003 XDOZNDVVDYOVBN-WFPUBZAHSA-N 555.590 5.841 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc([N+](=O)[O-])ccc6C)o5)c(=O)n42)c2ccccc2CC3)cc1OC 104658056 DKCQVDHNLFVUFM-KFOJKGMOSA-N 605.672 5.813 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 105222176 KMALHZMHIYGNPJ-ZRDIBKRKSA-N 536.396 8.090 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccccc1[N+](=O)[O-] 105318718 JSZRLEIBGOFURF-UHFFFAOYSA-N 585.942 5.397 5 40 KKBB O=C1[C@H]2[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)N(c3cccc([N+](=O)[O-])c3)O[C@H]2C(=O)N1c1ccc(Cl)cc1 106015731 ZOBFGCHQGWUOAD-OYUWMTPXSA-N 606.012 5.067 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 163742873 DFZZXJDZGWXKBB-VKSQQWFDSA-N 696.694 5.577 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 198316658 LHNDDELVGBWRIU-UHFFFAOYSA-N 713.112 6.219 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222518531 VJWCNQQDGPZCDQ-PMERELPUSA-N 683.158 5.286 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222798523 MQYMKVJKRNABAC-LJAQVGFWSA-N 655.560 5.483 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 224793231 UERMTHDPLYOTOP-FQLXRVMXSA-N 595.662 7.486 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225335302 LBLUPCZDFJPITJ-OAQYLSRUSA-N 512.459 5.468 5 40 KKBB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 247914530 MADWQJQPOQQSHX-JXFTZBDYSA-N 601.615 5.594 5 40 KKBB COc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 248117994 CHZRWCNJNSGYPL-YRAGKPRHSA-N 571.589 5.585 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 261052305 MGYVPRWQVNFDRX-HRFSGMKKSA-N 665.596 5.231 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Br)cc1 408564827 AMFXCFBLHBQJOX-DEOSSOPVSA-N 666.367 7.328 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 408566656 FXMIFONCACJWIK-HHHXNRCGSA-N 627.561 7.133 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408569661 WVKBYHNPKMGJDP-KITIHOALSA-N 532.811 5.748 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 408572036 QLGLNLVQKBWXQH-QHCPKHFHSA-N 533.412 6.711 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408644477 RLWHRXHRPQBFHM-SPYNFDBNSA-N 660.466 5.414 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408682488 JHDCPXZMPDJJAZ-UHFFFAOYSA-N 761.959 6.407 5 40 KKBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccc(Cl)c(Cl)c3)sc2c1 408750327 LNOCGYXISDQPSD-UHFFFAOYSA-N 516.387 6.604 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)S2)cc1 408779488 XKHCGVMDKUZZPY-QDNAUZDWSA-N 530.433 6.643 5 40 KKBB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 408796112 DRQMVMSUYBIPPR-AYVXKDNWSA-N 523.034 7.562 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1Cl 408829363 FPYWRYXNZFKDHZ-NFYDWNOTSA-N 794.849 6.306 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 409090860 PEHJJLLSBSOQEG-WLNFRNCRSA-N 747.451 6.752 5 40 KKBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409092021 WXLNWFXDCLMSOG-GIJQJNRQSA-N 708.268 5.371 5 40 KKBB Cc1ccc(C)c(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 409120939 XHUXRFXIENNIKZ-UHFFFAOYSA-N 520.221 6.928 5 40 KKBB CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409129515 GSTXNYJJFXGUNJ-QHCPKHFHSA-N 524.647 5.188 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409132377 OHXQFJGSYKHCBO-LFVJCYFKSA-N 583.460 6.614 5 40 KKBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409176751 WPTRCQXBAFKUAI-UHFFFAOYSA-N 562.512 5.168 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409192398 CHQSHDLXXRKANV-DJTCXORXSA-N 728.039 6.603 5 40 KKBB Cc1c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)oc12 3168965 IHFJSEORIGZSAV-UHFFFAOYSA-N 564.812 6.602 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 84429307 DMPUUBXDPAHJAF-UPEQZEQLSA-N 502.527 5.054 5 40 KKBB O=C(c1ccccc1)c1cccc(-n2c(=O)c3ccc4c(=O)n(-c5cccc(C(=O)c6ccccc6)c5)c(=O)c5ccc(c2=O)c3c45)c1 97994455 NHFQRAAOAUPFGN-UHFFFAOYSA-N 626.624 5.506 5 40 KKBB COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)ccc1Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 101653627 LCHFACNAJNHLNB-UHFFFAOYSA-N 583.485 7.676 5 40 KKBB biogenic,in-vitro O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1c1ccc(F)cc1 102744124 GUCSZVFFEVMVRB-SDHOMARFSA-N 533.899 5.698 5 40 KKBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 104086757 PLSQSCKVLDGXBX-UHFFFAOYSA-N 529.380 5.125 5 40 KKBB Cc1ccc2c(c1)[C@@](C)(c1ccc(Cl)cc1)CC(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 105513335 NTBDWXUBUDSTFC-MUUNZHRXSA-N 539.484 8.560 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224853575 YZGXHLXAAQULEZ-BHVANESWSA-N 698.842 6.114 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225289816 YLVIEXZUCNNSLG-NDEPHWFRSA-N 740.106 7.324 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260811034 ULFVDOOXBMUSGF-OAQYLSRUSA-N 677.607 5.890 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408567754 REOKDBYHPCJROB-SJZLBXHKSA-N 607.288 5.865 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(C)cc1 408569881 KCQDQQDUKFBHBZ-SANMLTNESA-N 597.535 6.961 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408572672 RSJIINQCMNYEMH-QHCPKHFHSA-N 634.896 6.598 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408641100 JRQHEXCXKKOCQA-UHFFFAOYSA-N 635.372 6.138 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408653447 PUUGDKMKSSNNDU-OVWYZSLCSA-N 573.989 5.312 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408687965 VJOCEKWMGFBQSZ-UHFFFAOYSA-N 504.713 5.409 5 40 KKBB O=c1/c(=C/c2ccccc2OCc2cccc3ccccc23)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408786114 MKNGQCJETBBIBL-IVNSTHILSA-N 621.718 6.959 5 40 KKBB CCOc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408810877 KOIDDWULBLFMDB-UHFFFAOYSA-N 525.006 6.297 5 40 KKBB O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408846928 RWSSAVIKQSSYOF-IKVNRTJKSA-N 530.945 6.692 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408997692 SKMMPMNNGBKNGZ-JBVGNYNVSA-N 690.734 6.668 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 409080450 HZIUWTMWLAHSAH-XIHDXPBISA-N 661.523 6.358 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 409087726 ZLBLRMIGTAVLNZ-NULZLWRNSA-N 627.078 5.704 5 40 KKBB O=C1N/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1C1CCCCC1 409088269 WMIKVDCPVGOYOO-NDENLUEZSA-N 673.245 5.608 5 40 KKBB CCOc1cc(CNc2cccc(C)c2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409119979 RPQMCEHRRYCCOG-UHFFFAOYSA-N 532.378 6.406 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409206983 OCKLMHGGJVOSDW-MTJSOVHGSA-N 599.419 5.618 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409225784 LAJILOPSJCABHP-CIAFOILYSA-N 551.415 5.408 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1C 409355792 LHSKJAJYLWLMMU-HXUWFJFHSA-N 551.456 5.196 5 40 KKBB C[C@@H](CCc1ccccc1)NC(=O)c1nnn2c1sc1c(C(=O)N[C@@H](C)CCc3ccccc3)nnn1c1ccccc12 1409698 ZCEPTJLIXJJSPG-VXKWHMMOSA-N 592.729 5.051 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1c(F)cccc1Cl 3769455 BCONVUBGCYTHBA-JJFYIABZSA-N 577.815 6.965 5 40 KKBB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8833361 CBLPOLVDEWHZGY-UHFFFAOYSA-N 514.611 5.564 5 40 KKBB CCn1c2ccccc2c2cc([P@@](=Nc3cc([N+](=O)[O-])ccc3C)(Oc3ccccc3)C(C)(C)C)ccc21 12524606 KGNRHATYTFZACP-KXQOOQHDSA-N 525.589 8.982 5 40 KKBB COc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 15304261 BEBKTVCPQBNOAK-UHFFFAOYSA-N 519.451 5.516 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 16195639 PONKUGSHLRCDDI-UHFFFAOYSA-N 510.805 6.344 5 40 KKBB O=C(c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1)c1cc2ccccc2c2ccccc12 31949752 DPJVZCMMGQJRGC-NDEPHWFRSA-N 516.641 5.786 5 40 KKBB CC(C)c1ccc(C2=NN(c3ccccc3)[C@]3(SC(C(=O)c4ccccc4)=NN3c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 97999494 KRVFBFVWRSWXIT-DIPNUNPCSA-N 623.738 8.551 5 40 KKBB Cc1cc(OCc2ccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)o2)cc(C)c1Cl 98046186 SEXOFPLUQNNVCE-UHFFFAOYSA-N 525.968 7.242 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc2c(Br)cccc12 100307072 ZGPAHLAXSAZJEG-UHFFFAOYSA-N 567.387 5.366 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 100341004 YJCADSSYTUMXBN-WSDLNYQXSA-N 543.370 6.312 5 40 KKBB O=C(CSc1nc2ccccc2s1)NC(NC(=O)CSc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 100913083 XKKGMSJQPFBHCU-UHFFFAOYSA-N 581.726 5.630 5 40 KKBB Cc1ccc(N(S(=O)(=O)c2cccc(C(F)(F)F)c2)S(=O)(=O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 102822507 GAFLKFADYZBRFA-UHFFFAOYSA-N 568.473 5.525 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1cccc([N+](=O)[O-])c1)(N1CCOCC1)N(C)C(c1ccc(F)cc1)=N2 102940913 VBEZGGIXEBEYAV-RRHRGVEJSA-N 559.542 5.572 5 40 KKBB O=C(c1ccco1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103526830 ITRYXDCMWFQUAB-QSNJERLUSA-N 531.524 5.170 5 40 KKBB O=C(CSCC(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1)Nc1ccccc1 103892720 XAHMMMYSCDJTKC-UHFFFAOYSA-N 524.649 5.807 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 103985854 NCHSUHDONALJLJ-KPKULGGESA-N 554.861 8.238 5 40 KKBB O=c1c2ccc(C3=NN(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)C3)c3cccc(c32)c2nc3ccccc3n12 104576732 IDGSLORIWPYLHU-SSEXGKCCSA-N 535.563 6.856 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 197764400 QIVACMBTMSYRCJ-JOCHJYFZSA-N 600.126 5.841 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214890096 WXQUBVBVDHMWIE-DJKKODMXSA-N 509.754 7.052 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222595684 UUWAAXHDQWEWTL-YTTGMZPUSA-N 663.196 5.856 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224001618 BGDWOWZHDOHHIF-YTTGMZPUSA-N 693.222 5.927 5 40 KKBB Cc1c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n(-c2cccc(Cl)c2)c1C 224763159 KFLGCFJHWHZESS-ROJLCIKYSA-N 626.207 8.687 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225009849 BKQCKOVNEQETLE-LJAQVGFWSA-N 592.718 5.046 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260967144 LVHLXMHTFRZMPK-SFTDATJTSA-N 665.596 5.746 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261017862 UVEZIONLHJIHER-JGCGQSQUSA-N 776.139 7.622 5 40 KKBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc(Br)c(Cl)c2)cc1 408553807 BYMKSWLELOOWMS-UHFFFAOYSA-N 526.612 6.964 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408567711 HEVSIUYQBMRMPN-DEOSSOPVSA-N 619.925 6.698 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 408568798 UPPGNJFRJGZCEK-LBEGXTCUSA-N 532.811 5.794 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C(=O)O)o2)c1 408631627 GAYYCBIECBUNKT-FOKLQQMPSA-N 551.602 6.339 5 40 KKBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408643314 PDUSVJWSGUQDPH-DGWZCFCJSA-N 666.128 5.670 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c2=O)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732099 RZXYIBIIWGDABT-JYKOFRAPSA-N 735.815 6.381 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408758060 UVGPALIYRQEEGI-USDTVRPUSA-N 610.489 6.249 5 40 KKBB COc1ccc(-c2sc(NC(=O)C(c3ccccc3)c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408820943 ASLAONIPEFFZAA-UHFFFAOYSA-N 521.598 7.165 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 408824405 QAXGPPVDRJJTNQ-MFCBUNOESA-N 693.532 5.265 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(Br)c4)c(=O)n32)cc1OCC 408938718 SARYBDAOGJVYPH-MKTOWPBFSA-N 773.456 5.828 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409033744 PJKAINFGAUSPDU-NQUBGTRZSA-N 693.778 6.235 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409038484 VOSRFNYUVFMGDV-XSTKMXAKSA-N 801.510 6.606 5 40 KKBB CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)N(CC(=O)OC)C2=S)cc1 409055770 PVCVMSILGFFZMC-YUMHPJSZSA-N 554.628 5.308 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409103790 YWKMHEUMUFFXJM-KMBIYUNPSA-N 611.507 5.579 5 40 KKBB Cc1c(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409129107 KBWCSJZWNUULNE-OVVQPSECSA-N 511.603 6.575 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 409144615 LIMANNOPUOJOCF-FSEOGBMLSA-N 726.631 5.044 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409271588 KJRRYDQBBLSBER-XKZIYDEJSA-N 530.480 7.046 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409375472 LIHSHARFABROKY-YSMPRRRNSA-N 652.523 5.956 5 40 KKBB CO[C@]1(C)[C@H](N(C)C(=O)c2ccccc2)[C@@]2(C)O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 1569989194 FQAGRUVGWSIIQA-NZKHRDNMSA-N 584.676 6.081 5 40 KKBB O=C(Nc1cc(Oc2ccc(I)cc2)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 3192708 RFQKGDBMQGPEGG-UHFFFAOYSA-N 529.117 6.551 5 40 KKBB Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)cc3)cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2c1 100395966 PACCGPUMUMRRQJ-DQEYMECFSA-N 575.577 5.614 5 40 KKBB Cc1ccc(S(=O)(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)c2cccc3c([N+](=O)[O-])cccc23)cc1 101655136 NGSAMGFLOYSJQP-QHCPKHFHSA-N 565.651 6.421 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c2=O)=N1 104676667 FGCMRRZFTBUECA-JLKMOJGBSA-N 615.708 5.879 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306608 WIPVLDFJLVZAFC-UHFFFAOYSA-N 582.436 5.129 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 106685412 UYJVNOIUSPGGRZ-FMCGGJTJSA-N 553.980 5.511 5 40 KKBB COC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 205775036 BKOQFYKZJYLUSQ-FRKPEAEDSA-N 561.288 5.378 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Br)cc1 214924112 VHOXOIWXGSWAGU-SRZZPIQSSA-N 556.350 6.294 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222954203 SXIDCCBJJJEVNL-SANMLTNESA-N 542.463 5.856 5 40 KKBB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224498242 RDWSFDCKTBMNKX-XMMPIXPASA-N 686.014 6.011 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)cc1 224516992 RIVKPMNFSGWKSG-PKTZIBPZSA-N 521.396 6.189 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225248327 VUCFDCLCSUVXNV-OAQYLSRUSA-N 710.047 5.857 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225249274 MWVMWAWEXLQVDN-DEOSSOPVSA-N 552.524 6.391 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225317301 FMIBMKOMRDGEOZ-BHVANESWSA-N 733.287 6.850 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225736471 ZPVXMZOPBFDZQM-RXFWQSSRSA-N 714.068 6.789 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260942342 IUWOBWLUDPSBJH-FNZWTVRRSA-N 714.068 6.789 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 260945809 SXOSVCMRRUTNPU-WJOKGBTCSA-N 620.772 5.067 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408568181 SGRMJSHLZLWWEK-FMNCTDSISA-N 542.817 5.203 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1ccc(F)cc1 408570946 MKZODZMOLBGCHA-QHCPKHFHSA-N 588.415 6.075 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 408572981 RZYDXZPWKZCNRJ-VWLOTQADSA-N 644.504 6.343 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12 408573512 TTYBNAQNKKKONR-MUUNZHRXSA-N 619.541 7.498 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 408640498 IFQMHRQIHASAMW-LAMXGVLKSA-N 638.460 5.782 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408650095 ZLBLVMULJKCPMS-HGMMTPDKSA-N 638.460 5.782 5 40 KKBB CCCC[C@H](C(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408683092 HJYHYLCGJKUOMF-GFCCVEGCSA-N 591.231 5.854 5 40 KKBB CCOc1ccc(NC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Nc5ccc(OCC)cc5)c4cc23)cc1 408719188 ADLAFUUEXBBNRZ-UHFFFAOYSA-N 658.758 9.419 5 40 KKBB CC(C)c1ccc(OC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Oc5ccc(C(C)C)cc5)c4cc23)cc1 408719825 GBVMSGNZOGQWKD-UHFFFAOYSA-N 656.782 10.802 5 40 KKBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccc(Cl)cc4)C(=O)[C@@]3(c3ccc(Cl)cc3)C(c3ccccc3)=C2c2ccccc2)cc1[N+](=O)[O-] 408722915 OHDCXGDOLXDBAI-HOSOATPESA-N 685.563 8.399 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408829428 LCGRJEHQSLPFNN-PRLWALMFSA-N 571.655 5.398 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 408833252 SNDBTEGPEAMBDD-KLKBWYFJSA-N 667.593 5.810 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408942879 RWDSZDRZLATGFZ-MRWVFDTMSA-N 736.641 6.234 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409086233 QDRKHTRDOYBYLW-YPCWPJDZSA-N 745.652 6.188 5 40 KKBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 409094760 FWVZUPWXYWKSTJ-GIJQJNRQSA-N 525.366 5.469 5 40 KKBB COc1ccc(Br)cc1[C@@H]1N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N1Cc1ccccc1 409148575 ZJSWCLNPTSSDQE-NDEPHWFRSA-N 558.432 6.727 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3cccc(Cl)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409177312 DFYLZSFKGOFYPK-PIXWUVMMSA-N 638.529 5.901 5 40 KKBB COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409197381 DFYIETFNPVGCBR-UHFFFAOYSA-N 559.187 6.706 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409275455 UYNWKRVAFSISPA-XKZIYDEJSA-N 507.480 5.935 5 40 KKBB O=C(CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5)Nc1ccc(Cl)cc1Cl 1768006 JZVPJSJEAHLTLW-UHFFFAOYSA-N 577.522 7.081 5 40 KKBB O=C1c2ccccc2C(=O)N1CCCCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 1951534 NJDYCPPXCSEOFH-XNTDXEJSSA-N 503.942 5.371 5 40 KKBB CCOC(=O)C1=C(c2ccc(OC)cc2)NC(c2ccc(OC)cc2)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 2051183 XQKIAWGEPHWNCE-UHFFFAOYSA-N 558.587 5.248 5 40 KKBB O=C(N/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2c(=O)n1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 6002869 HXXUZVOFQNFAND-PCLIKHOPSA-N 582.960 5.670 5 40 KKBB CCc1cc(C)cc(OCCOc2ccc([N+](=O)[O-])cc2-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 13942596 MRPAPWRRLJHNMK-UHFFFAOYSA-N 505.596 5.767 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1cccnc1 22107287 NPDXUVJBTMAOGS-UHFFFAOYSA-N 521.799 5.195 5 40 KKBB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2[C@H](c3ccc(OCc4ccccc4)cc3)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 33354939 ULSJQNUCQKMQSN-XAVRRHADSA-N 721.748 5.878 5 40 KKBB COc1cccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccc(I)cc3c2=O)c1 100369304 AQXPZXCVPNDZPF-DHZHZOJOSA-N 525.302 5.078 5 40 KKBB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1 100612737 JLVNVFZAVONSHQ-UHFFFAOYSA-N 516.526 6.530 5 40 KKBB Cc1c(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)cccc1[N+](=O)[O-] 100958449 DIVQYLRIROALKE-LCQSEVKBSA-N 551.649 5.857 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccc(Br)cc1 101086406 HULWKLLCTRPRLX-KGVSQERTSA-N 574.172 5.831 5 40 KKBB COc1ccc([C@@H]2[C@H](C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)CCC(=O)N2c2ccc(C)cc2)cc1OC 103121179 OHTMIZHAGDSHDG-UFHPHHKVSA-N 562.575 5.015 5 40 KKBB O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)/C(=C\c2ccc(Cl)cc2)CCC1 103145553 BICZCMDTWUFBLU-ARWXIEIMSA-N 574.489 6.698 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 104084488 SBACVMWRUYNGQB-KHLUAOTOSA-N 585.572 5.305 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 106110736 DPNSCBYWZUJIIQ-JXMROGBWSA-N 564.973 5.764 5 40 KKBB O=C1S/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106722379 XWTSPCJLSPSFCD-MSXFZWOLSA-N 538.412 7.141 5 40 KKBB C=C(O)c1ccc(Cn2c(=C)/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)s/c2=N/c2ccccc2)cc1 111504672 FYOGEZLWHKRILI-RKKGEIBUSA-N 600.494 6.529 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C)C(c1cccs1)=N2 150428926 UGNMBWYWDTWIMQ-LHEWISCISA-N 626.477 6.257 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c2=O)=N1 163466747 WUAAEFJHPPKOJI-IMUCPKNRSA-N 877.539 7.398 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223338391 BVXRMNCQAKEIRX-JADSYQMUSA-N 686.831 5.970 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223879701 BRSHHTMMSBDDHM-CCLHPLFOSA-N 665.596 5.231 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl 224065805 UNZGAGUMLIMTJJ-FTJBHMTQSA-N 550.040 5.636 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)o1 225466963 ZHNNMLAIEIWKOU-IZZNHLLZSA-N 579.660 5.115 5 40 KKBB Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 253488067 WKTLZZXWTWDBJT-AOFBEVEVSA-N 555.590 5.759 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 408569870 KALGBORFNRYDQQ-RUZDIDTESA-N 587.471 6.565 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408830747 NOGJCWQWGQYPAL-DBHVVYFFSA-N 795.148 6.969 5 40 KKBB COc1ccc(C2=N/C(=C/c3cc(Br)ccc3OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)C(=O)O2)cc1 408838787 IKXNCEZMODJLBS-YBFXNURJSA-N 613.829 6.798 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408859425 XFZDMQLPBJWTTG-VPHSIRQSSA-N 601.681 5.371 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 408872457 DNWUWUIQKSMYQF-UUYOSTAYSA-N 515.374 6.717 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1cccs1 408914163 NODLSNJVKSBBPH-CTHKJOMYSA-N 696.788 5.097 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916671 FXCDKPLEHFEUON-SRZZPIQSSA-N 638.721 7.589 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n21 408958744 WOVQSOHLEKMAIF-NFYDWNOTSA-N 656.486 5.265 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 409032011 BXNXIDDOBARRAZ-UDHMSBBDSA-N 650.757 5.805 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409104532 FQMXSQUCYHATOB-VIVYEOTJSA-N 728.274 7.790 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O)Nc1ccccc1Cl 409245127 NVDPJDVTTLHSKF-SRZZPIQSSA-N 592.844 6.809 5 40 KKBB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 409257445 OTYCDEIYZCZGIV-UHFFFAOYSA-N 537.981 5.875 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 409272584 NIMPFUCWZSYCRD-LSHDLFTRSA-N 568.951 5.932 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409273801 SUNZIMQHDUPUOG-KEBDBYFISA-N 503.319 6.081 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc5ccccc45)c(I)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409354099 YBSBGZHDEZLEDF-ZMTYCLHQSA-N 871.491 6.956 5 40 KKBB CC[C@]1(C)Cc2c(sc3c2c2nnc(SCc4ccccc4)n2c2nnc(SCc4ccccc4)n32)CO1 1786283 YLEMUVMDGZYWNO-MUUNZHRXSA-N 558.758 6.813 5 40 KKBB O=[N+]([O-])c1ccc(-c2csc(N3N=C(c4ccc(Br)cc4)C[C@@]3(O)C(F)(F)F)n2)cc1 8711533 DHFNEAYYCWQICW-GOSISDBHSA-N 513.295 5.346 5 40 KKBB COc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OCc1ccc(C)cc1 8990025 VODWODRYJCJHOA-JMIUGGIZSA-N 513.333 6.142 5 40 KKBB C[N+]1(C[C@H](C[C@@H](C[N+]2(C)CCCCCC2)C(=O)c2ccccc2)C(=O)c2ccccc2)CCCCCC1 9235267 JPLCTHCQAFDEAO-CONSDPRKSA-N 504.759 6.416 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 9330103 FIYSBLSOTYOTCA-VIJSPRBVSA-N 515.525 5.146 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(-c2ccccc2)cc1 16493050 QQSLREHVVWLRAV-UHFFFAOYSA-N 514.529 5.118 5 40 KKBB Cc1nn(-c2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)N1C(=N2)C(O)=Nc2ccccc21 96022049 QZIIULPEXRMRHI-HKBQPEDESA-N 632.702 7.286 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3cccc(OC(F)F)c3)CCC[C@@H]2[C@@H]1c1cccc(OC(F)F)c1 97971247 YQFWNGPHKLGWOP-BZVXMAENSA-N 654.617 7.071 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 98045421 OHOHBRNZKSCGIR-PNJIRECESA-N 602.646 6.784 5 40 KKBB CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccc(Cl)cc4)c3)CC2)cc1[N+](=O)[O-] 100104709 RSQZVYNWCXNDOE-UHFFFAOYSA-N 539.976 5.130 5 40 KKBB Cc1c(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 108087014 WEBBVVGYWMXIHI-UHFFFAOYSA-N 552.834 5.149 5 40 KKBB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 113633560 OJHAHLXKLOCWKE-FQEVSTJZSA-N 539.654 5.282 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 150389780 QMSAYNFWRFYFKP-SUAMDDGLSA-N 636.524 5.852 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2-c2ccc(F)cc2)sc2c1CCC2 150391110 GCNKGWZJDRTVLS-QGZVFWFLSA-N 652.730 5.399 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 150584477 LENPKVFWAPTAOF-WQNUKSJVSA-N 723.558 5.273 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214041489 ZVLUTVGRZKNZCS-WSDLNYQXSA-N 530.480 6.651 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214232662 SXEGGWSKTGUEFH-SRZZPIQSSA-N 525.470 5.680 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222682408 YDOWHSFQENCIPF-RUZDIDTESA-N 700.041 6.399 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223228397 XBYPZGLOCCNTEM-LEWJYISDSA-N 710.047 5.855 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223908603 GPOOEQBSWVGLBW-MHZLTWQESA-N 635.570 5.821 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)o1 223994000 WODVRCSOQNNLPJ-CLJLJLNGSA-N 529.578 5.394 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224303143 YAGSZKMYLLCYBQ-XIFFEERXSA-N 707.249 6.315 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 225051732 JOZMTRLUSVDFDW-MHZLTWQESA-N 635.570 5.141 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 229625050 ITRYXDCMWFQUAB-DZHULAFLSA-N 531.524 5.170 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408550514 DBAMYSDEJPUECX-UHFFFAOYSA-N 510.355 5.028 5 40 KKBB O=[N+]([O-])c1cccc(NCc2cc(Br)c(OCc3ccccc3F)c(Br)c2)c1 408558477 RLUZRVIBEJUUJC-UHFFFAOYSA-N 510.157 6.450 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408565421 KQFOKNTZAAFJTR-BQGAEBSMSA-N 598.881 5.745 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 408566801 GETKPMPZNPSWJL-AREMUKBSSA-N 599.507 6.435 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408567841 RWTQFOJXPRQGPQ-YDOVEJIGSA-N 570.415 5.088 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408687769 VAWXCDLAWLQAMU-UHFFFAOYSA-N 573.603 6.715 5 40 KKBB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)S1 408812466 MZDJBAFVYBFFMG-UHFFFAOYSA-N 535.783 6.042 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccccc1Cl 408822967 DEVUBUQFIXFOLT-IMUCPKNRSA-N 640.117 6.092 5 40 KKBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408925981 VVDONTKWLXLDLW-UHFFFAOYSA-N 634.614 5.248 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n21 408947838 JVIOIKYLOHVEAB-NFYDWNOTSA-N 672.941 5.780 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408981771 BQYREWQQGSSPDU-SJXDCSIJSA-N 708.587 5.455 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408998296 ISHLYJNSTRUZQP-PEPUGYCWSA-N 899.501 6.641 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409033140 DVMHZYBRUCIMRN-ZGOFBEGVSA-N 634.508 5.048 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c2=O)=N1 409081699 HPIOUVFVZWTJIS-XGLZOBASSA-N 651.122 5.808 5 40 KKBB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 409182262 JOUNRTUVLPXOMR-UHFFFAOYSA-N 545.569 5.709 5 40 KKBB O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 409240864 QHPIEJYMHYEAMF-RGVLZGJSSA-N 518.740 6.231 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409249654 KDRMLCLSPOBIEV-UHFFFAOYSA-N 586.823 5.301 5 40 KKBB Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3cc(Sc4ccccc4)cc([N+](=O)[O-])c3)cc12 3099212 SVTVRBDCURAOJG-UHFFFAOYSA-N 507.615 7.618 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1ccc([N+](=O)[O-])cc1 4088066 WQMDYTDAZOYICY-UHFFFAOYSA-N 547.390 6.446 5 40 KKBB COc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2c[nH]c3ccccc23)cc1 9382340 HDLDLYTWBGRTFG-UHFFFAOYSA-N 500.540 5.063 5 40 KKBB CCN(CC)[P@]1(=Nc2cccc([N+](=O)[O-])c2)c2cc(C(=O)OC)sc2C=C(c2ccccc2)N1C 12560190 AAJDBYQOVDDVTE-UMSFTDKQSA-N 510.556 6.216 5 40 KKBB O=c1c(-c2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)no2)cc(Cl)cn1Cc1ccc(Cl)cc1Cl 12956571 CKCCGEHVYLUMIK-UHFFFAOYSA-N 512.136 6.135 5 40 KKBB COc1ccc(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 20106696 REHYQXQVIGMEPK-RUZDIDTESA-N 525.627 5.011 5 40 KKBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Cc1cc(Br)ccc1O 95682008 ASHHVEHENQWHOD-UHFFFAOYSA-N 529.215 5.357 5 40 KKBB C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)c(Cl)c1)CC2)C(=O)Nc1ccccc1[N+](=O)[O-] 103081579 HLBROJSPCYTYNN-KXGFGANYSA-N 562.409 7.121 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(F)cc1)[C@]21C(=O)Nc2ccccc21 103557917 DPAPWPGRWVQXGD-CLWMVSBGSA-N 573.580 5.980 5 40 KKBB Cc1nn(-c2ccccc2)c(O)c1C(c1c(C)nn(-c2ccccc2)c1O)[C@@H]1C=CC(OC(=O)c2cccc([N+](=O)[O-])c2)=CC1 136989399 DKGAPIJDYZGECA-HSZRJFAPSA-N 603.635 6.443 5 40 KKBB CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2cc(C)ccc2C)c(C(=O)OCC)c1C 150389943 GYRVMZSYCLTTTA-UHFFFAOYSA-N 680.765 5.176 5 40 KKBB Cc1cc(-c2ccccc2)nc(SCC(=O)NC(NC(=O)CSc2nc(C)cc(-c3ccccc3)n2)c2cccc([N+](=O)[O-])c2)n1 150456399 BQCXGDKLQPODHP-UHFFFAOYSA-N 651.774 5.941 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 163225846 XPKKMYVVRHQSQM-ITIZVALFSA-N 658.914 5.391 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c2=O)=N1 164201281 GQRLFQYNZKLXIA-TZUCAZQYSA-N 801.510 6.608 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)cc1 164541101 OEJADULQMMSENQ-OTHIGLTOSA-N 677.735 5.440 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224502606 IZNLVIWSOCHJME-WJOKGBTCSA-N 683.614 6.263 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 224888577 KNWNFKFAFSTUDL-HHHXNRCGSA-N 566.054 5.335 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccccc1F 408565681 CTEJICHTMJKRQY-SANMLTNESA-N 538.601 5.811 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 408570052 YGBLYMLQUINLQJ-KIHBTMOLSA-N 516.356 5.280 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408573652 UACDBHXZQDKCTC-DEOSSOPVSA-N 545.448 6.580 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(F)cc1 408687231 TYGQCXIIMJNLFR-UHFFFAOYSA-N 762.962 6.320 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408753324 NVHQYPFRKYDZHC-PRLWALMFSA-N 638.098 5.417 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)o1 408757422 MZPXKGWRDQBCTN-UNDLXJOSSA-N 545.620 5.795 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 408825443 DCLWLTKCYLTROZ-KYRGTEIWSA-N 679.629 5.679 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 408837818 OFIBNZVIISXPCO-MFCBUNOESA-N 667.065 5.905 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1OCC 408932179 BLRTUMYXDMIRRY-WQVUUJHJSA-N 724.586 5.074 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 409003253 YVQDXIXWKFQYOU-WGJPBTIMSA-N 694.747 6.266 5 40 KKBB COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409054642 ARJUHZKKAJQTLP-MTJSOVHGSA-N 622.824 6.681 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409076847 CBOKYPNFCKWZIQ-ZCWBPALNSA-N 682.549 5.445 5 40 KKBB CCOc1cc(C=C(C(=O)OC)C(=O)OC)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409085969 PIPAVNDZFYSQNG-UHFFFAOYSA-N 548.264 5.297 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409102635 BOGAQVLBXVQWOJ-BFOKUZPWSA-N 667.769 5.590 5 40 KKBB CCOc1cc(CNc2ccc(F)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409207411 UMWCICZECWEFTM-UHFFFAOYSA-N 522.314 5.928 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1cccc2ccccc12 409274037 UEJHOLCETYNISX-NTFVMDSBSA-N 562.607 6.426 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409274387 WOEJEYWMQPKDKY-QFEZKATASA-N 542.573 5.281 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409274403 WQDGHWCWQOYATR-WSDLNYQXSA-N 587.532 5.665 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 409274659 FMLNNQFNCFRJCY-CFRMEGHHSA-N 596.459 6.228 5 40 KKBB CC(C)CCC[C@]1(C)Oc2cc(CCC(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]2O[C@H](C)CC[C@H]21 585268248 YHEGRSBYHVTNOX-BFYHCKCDSA-N 558.697 5.866 5 40 KKBB O=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 3056930 DDGDSMHWNITHTE-UHFFFAOYSA-N 553.884 7.021 5 40 KKBB Cc1ncsc1C(=O)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 8455421 ATLXYDPAHQITJW-QXCHSPKTSA-N 503.540 5.705 5 40 KKBB O=c1[nH]c2c(s1)[C@@H](c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl)[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11990747 QOGOWCLXSZOUGF-UPZARLHUSA-N 501.029 6.229 5 40 KKBB O=C(O)[C@H]1C[C@@H]2[C@@H](C[C@H]1c1c3ccc(=O)cc-3oc3cc(O)ccc13)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104224115 MFLKJTWDLMBFCM-AKWWGIECSA-N 609.116 7.260 5 40 KKBB CCN(c1ccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1)S(=O)(=O)c1ccc(Br)cc1 104404428 OKIOSMIOTOZPCN-UHFFFAOYSA-N 560.451 6.040 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 106739539 AGRICMVYWFXRLO-FMCGGJTJSA-N 566.504 5.839 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 107843797 FTJIXCNZKALPIX-YRNVUSSQSA-N 555.462 6.514 5 40 KKBB CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 108102454 PAJMJLZYGDJZNI-UHFFFAOYSA-N 542.577 5.423 5 40 KKBB O=C1N/C(=C/c2ccc(-c3ccc(Br)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)cc1 111506805 YSZMWBHJUQCLCG-LICLKQGHSA-N 502.708 5.364 5 40 KKBB O=C(Nc1cccc(S[C@H]2CC(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)c1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 150484677 RMXJTTOOCIOAGD-RXZPBKSNSA-N 719.175 7.874 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c2=O)=N1 163469298 YXKMSBUTDLBYEJ-HZHHUVPKSA-N 689.812 5.686 5 40 KKBB O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 164918253 OTIJVOCYAMHFEY-SOJUGJLBSA-N 747.440 7.470 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223862665 WRRNZRGAQRDUCU-GPNASLBKSA-N 697.641 6.652 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225415148 DHZMNBKQPQDIRA-UMSFTDKQSA-N 707.249 6.317 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225425914 ATNMPQNEMRZZRD-BHVANESWSA-N 777.738 6.959 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225484615 BEWJGTPWZWLINQ-UMSFTDKQSA-N 723.679 7.186 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225673735 XJJBTPFEJLOATK-NFQMXDRXSA-N 635.570 5.819 5 40 KKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247302864 FNXRVTBRAAEYRE-YCAMKHIRSA-N 549.370 5.056 5 40 KKBB CC1=C(/C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C\C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 255221225 JKQXZKUSFCKOGQ-FFBGJITKSA-N 568.886 10.547 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260784945 JXTVOZVERIOHST-XMMPIXPASA-N 671.216 5.935 5 40 KKBB CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)\C=C\C=C(C)\C=C/C1=C(C)C[C@H](O)CC1(C)C 299888459 KBPHJBAIARWVSC-KGWOSIKJSA-N 568.886 10.403 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408564709 FBFHUVXAZJUSBG-MMOZRLFVSA-N 572.843 5.258 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 408564978 GVYSRTNOWWDAFZ-VTAXEWKNSA-N 523.589 5.386 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1Cl 408573135 SQEDQOQDYJCCLT-LJQANCHMSA-N 515.791 6.580 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(Cl)cc1 408639238 FIFUISBOJVNPIE-UHFFFAOYSA-N 601.613 6.398 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)c1 408646919 RGQHUPZOPOPNBZ-UHFFFAOYSA-N 535.553 5.303 5 40 KKBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 408651658 NRYFBKULQWQKJK-YICQYGDHSA-N 608.434 6.131 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408659607 WBWSMSVSJNHWPT-CPAHJZNRSA-N 634.428 5.168 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 408729565 CKFBTGBUBSIFIS-DNXAZHTDSA-N 735.815 6.381 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(S(=O)(=O)c5cccc([N+](=O)[O-])c5)c5ccccc45)c(=O)n32)cc1 408845777 LLBCTXKMJFRSHT-ZSXMQSLNSA-N 719.801 5.373 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 408930340 VTGIWWJKHCHJOF-DHRITJCHSA-N 547.589 5.474 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409251944 ANORYBUXZJATCL-LSFURLLWSA-N 670.847 7.805 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)c1 409271290 UGKZCQAEFXECCB-FMCGGJTJSA-N 505.552 5.763 5 40 KKBB CC[C@@H](C)Oc1c(I)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC 2084972 AIJBKCXITMIZMY-OTGIAGGSSA-N 568.389 5.622 5 40 KKBB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3c(ccc4ccccc34)N21 2285032 QHFYVXFTSTVDLU-YULOIDQLSA-N 549.970 5.674 5 40 KKBB CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c12 6600326 BTPYKCSJZNJMOV-UHFFFAOYSA-N 524.624 6.103 5 40 KKBB CCn1c2ccccc2c2cc([P@](=Nc3ccc([N+](=O)[O-])cc3)(Oc3ccccc3)C(C)(C)C)ccc21 12524611 XFPKMEBGZYEZBL-QNGWXLTQSA-N 511.562 8.673 5 40 KKBB O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 12660917 SGHQMMHAZLYBER-UHFFFAOYSA-N 501.442 5.686 5 40 KKBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)N[C@H]1CCCc2ccccc21 51103554 XYQKTABQZALPJR-NRFANRHFSA-N 526.540 6.238 5 40 KKBB CCCCOc1ccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 100847589 ROOWNTAFIOJUMF-ITYLOYPMSA-N 564.627 5.306 5 40 KKBB COc1ccccc1-n1c(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccc(I)cc2c1=O 101018427 SALKRENJBHNEFU-FMIVXFBMSA-N 525.302 5.078 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(Br)cc1)N1C=Cc3ccccc3[C@@H]21 101064606 RETAXBVUKMOBNA-NDBXHCKUSA-N 558.388 5.064 5 40 KKBB CCOc1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4cccc([N+](=O)[O-])c4)c(=O)n2[C@@H]3c2ccc(OCC)cc2)cc1 102901970 DCAYBBNFLNYKAP-RIUZKRKCSA-N 593.705 6.188 5 40 KKBB COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 103088086 MDFUAEVLYTZLFK-BAOGPQIGSA-N 602.043 6.875 5 40 KKBB CCCc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103332796 UTYYXHFWFQIORA-XKEBTDTJSA-N 583.644 6.529 5 40 KKBB CC(C)(C)c1ccc([C@@H]2C([C@H](O)c3ccco3)=C(O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 104330835 QKFFWHVZRVDJSO-DNQXCXABSA-N 595.655 5.408 5 40 KKBB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3Cl)oc2c1 105312309 UPMOBCVKPDWLAP-UHFFFAOYSA-N 550.040 6.482 5 40 KKBB Cc1cc(C)c2oc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3C)nc2c1 112229116 LMLZPWKIFOTYBB-UHFFFAOYSA-N 545.621 5.292 5 40 KKBB O=c1/c(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 150506905 KIJLPEKHZWVIST-OIUASMPBSA-N 747.440 7.470 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 164554602 XYCNNVFNGJUAND-PLNPHXOGSA-N 661.692 5.072 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 205659144 OETUVCFQVKZNOL-QPJQQBGISA-N 578.908 7.025 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223279188 NTIDLKOJSXRDOM-SSEXGKCCSA-N 635.142 5.220 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223368251 AWNQUNRZVMAAGG-AREMUKBSSA-N 601.125 5.166 5 40 KKBB O=C(O)c1ccc(Cl)c(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 224789414 HOHSOCFBDDWAGN-WDYNHAJCSA-N 629.119 7.930 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225089815 BJCJMFOULZWJTH-SANMLTNESA-N 574.530 6.300 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCC 408569186 JBJVCQWLSMOHET-IBGZPJMESA-N 541.855 5.899 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(F)cc1 408572191 QTEHEDVPHWPSBX-QFIPXVFZSA-N 567.857 7.364 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1cccc([N+](=O)[O-])c1 408643848 QBZFINSXLSVCPO-UHFFFAOYSA-N 779.417 6.835 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730334 PTEFOWZDRQKQJE-PKYOQBLNSA-N 595.633 5.128 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916764 HCKZKCVJUZCXJY-SSDVNMTOSA-N 594.270 7.480 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c2=O)=N1 409050004 RXYMVIGQMOQZIT-LMSRTUJASA-N 760.404 5.653 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409098196 KDPGDBAVILWEHV-KEBDBYFISA-N 514.321 5.587 5 40 KKBB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F 409173961 QGINTHNMVGRSRP-XMMPIXPASA-N 500.429 5.500 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409178304 GKKQCGYQQJIEGP-AUEPDCJTSA-N 598.977 5.941 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 409197161 XJPTZDUKFYYMLC-KEBDBYFISA-N 592.811 5.954 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409274092 VFJZYPHHRWJMGH-XGLKJEJJSA-N 628.154 5.672 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409309674 KTOMLVKOIDTASH-UHFFFAOYSA-N 568.833 5.162 5 40 KKBB CC1=CC(C)(C)N(C(=O)c2ccccc2[N+](=O)[O-])c2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 6461745 HQJIXVXSERXLHY-UHFFFAOYSA-N 521.913 6.218 5 40 KKBB CCc1ccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)nc2SCC(=O)N(c2ccccc2)C(C)C)cc1 12574766 GOPZWQORDVGWCS-UHFFFAOYSA-N 500.624 6.544 5 40 KKBB O=C(O)c1ccccc1C(=O)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 17466158 VTJTUNJMDOZWKD-QWJAHGMWSA-N 526.505 5.638 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1OC 105497223 MRAJUQJRLPJOKT-JLKMOJGBSA-N 564.663 5.122 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1F 106698400 FMFDWPFRIWKLEL-UUYOSTAYSA-N 543.370 6.312 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)o1 152151556 UJEATFBRNLNGFN-ITNPZBTBSA-N 640.515 6.258 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(OC)c(OCc6ccccc6)cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1 163255003 GQEDJLCLWZTQIK-AHDXEZHLSA-N 631.710 5.823 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(Cl)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1OC 163268264 QFXKQGPIRHQPFB-IVQFASICSA-N 626.090 6.158 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222680384 PIVJCNSFZDVGRN-JGCGQSQUSA-N 663.196 5.856 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223613179 JNRFCFDXEGPNEP-JGCGQSQUSA-N 713.640 6.190 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224431323 POUZKIDOQCLPSH-MHZLTWQESA-N 726.079 6.934 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)o2)cc1 224656851 NRHJATBRHNGDEU-WDYNHAJCSA-N 534.597 7.219 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225508200 PZOVDFYASXABTO-YIXXDRMTSA-N 659.205 5.791 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N23)c1 248151749 WPRUOCSKEYLTNL-HPNWTYDNSA-N 571.589 5.460 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260962845 ZFWRWTMYLOFJBM-SSEXGKCCSA-N 641.190 5.412 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408568382 UFAKGGMKOWJYIE-NUWWLQTNSA-N 564.436 5.091 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 408571122 NRSOLFWXKUYLSL-AREMUKBSSA-N 647.979 7.478 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)cc1C 408571188 OBYCTPAYIQCEHG-VWLOTQADSA-N 509.031 6.535 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408731005 XQGIIDWFJMKUOM-TZYWHCFRSA-N 734.614 7.251 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408755168 ZBGNGCRWMQMGNC-ZGOFBEGVSA-N 525.029 5.368 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 408809724 IRCDHORSNRJRCV-BKUYFWCQSA-N 511.353 6.177 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408832728 ZUIWQSZNUJYHMV-ZRELAVNMSA-N 638.407 5.816 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408845857 SAAXCNOVOKPTLX-NULZLWRNSA-N 566.038 6.140 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4c(OCc5ccc([N+](=O)[O-])cc5)ccc5ccccc45)c(=O)n32)cc1OCC 408933612 BONPWLVIYATYIA-AJXYAIDJSA-N 665.724 5.456 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408981260 AIYXWRXQWAHMPO-FJNIOPPGSA-N 708.587 5.455 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 408990039 UZTWFHOWVCDENM-ROOYPZPVSA-N 672.897 5.111 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409033474 LKCNFKMDAMEKPE-RWIWXHOOSA-N 835.513 6.305 5 40 KKBB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 409174819 VRQFJJUGWBCVRE-DEOSSOPVSA-N 501.322 5.788 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409192314 WJPVABQOFFMSDR-FPWMYLJGSA-N 800.750 7.417 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O)Nc1cccc(F)c1 409230129 BTKFOYGAEAMWLO-UFFVCSGVSA-N 576.389 6.295 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O)Nc1cccc(F)c1 409238844 LNVHIAGDXMLVMA-VXLYETTFSA-N 501.879 5.322 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409270103 FTBBDMBCGLBKQL-WSDLNYQXSA-N 534.550 5.083 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 100849220 ZMIHIEGLVVBBGF-YQQRZDPSSA-N 571.589 5.460 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 103527148 AFMJNMFGJOBXNT-YCHSVXFSSA-N 571.589 5.585 5 40 KKBB O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307989 VAIRYFWGGGGNLL-UHFFFAOYSA-N 524.002 5.228 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C)C(c1ccc(F)cc1)=N2 150428970 GEVQVUJMTDLXEM-VQJSHJPSSA-N 638.438 6.335 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 163197668 QLOBFEUKRKBPEH-FFWTUWPMSA-N 631.710 5.823 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6Br)o5)c(=O)n42)c2ccccc2CC3)cc1OC 163267340 BOCZFTUSJREPJV-QQMBNGEASA-N 670.541 6.267 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 214944784 DGTXJHMVUQDYAP-SRZZPIQSSA-N 579.350 7.405 5 40 KKBB COc1cc(C)c([C@@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1C(C)C 223279102 RICWZXZLJFRLDQ-HXUWFJFHSA-N 525.627 5.108 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224350741 GWNJIRUVUDGEIF-YTTGMZPUSA-N 711.212 6.066 5 40 KKBB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224709149 CJUSPMXBXQRVAM-NRFANRHFSA-N 643.560 5.029 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225134889 RDQUSURQYYHGDU-LJAQVGFWSA-N 627.163 5.700 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225604049 ONRSZAVHZHHJNE-MUUNZHRXSA-N 649.597 5.532 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 225640059 XGPDMGUNLKPOGQ-VSGBNLITSA-N 541.633 5.868 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260992761 OAUACFVJPNHCLG-MGBGTMOVSA-N 658.752 5.628 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261097152 VIQFTCXJQLNCQQ-SFTDATJTSA-N 710.047 5.855 5 40 KKBB CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408553795 BXUATGNDCQXMPD-UHFFFAOYSA-N 570.665 7.363 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 408569489 JESPTUZJZUUEJZ-VWLOTQADSA-N 599.507 6.435 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)cc1 408570582 LLLSOFNIQXMJAP-RUZDIDTESA-N 587.471 6.565 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 408570600 LMXKPQSDFVONAU-VWLOTQADSA-N 599.507 6.353 5 40 KKBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408637614 AUNZCCRFSUZVJM-RVGBIGRGSA-N 700.573 6.324 5 40 KKBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1 408639215 FCEMMNBPLXQDCZ-UHFFFAOYSA-N 597.194 5.753 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408651091 GKMCAUQPIUALOM-GJLUAVECSA-N 627.480 5.843 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408940999 PAHXULSKAGTMKP-ITNPZBTBSA-N 769.614 5.686 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409035684 QAXDHYBOSSAWPN-XSTKMXAKSA-N 757.059 6.497 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409223459 HTNUNZQUZPGQRB-WYMPLXKRSA-N 651.413 7.486 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409237719 BJZUKRNKOLJECO-YDZHTSKRSA-N 693.903 6.506 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409270749 ACOGWJJAOWQGQI-CVKSISIWSA-N 561.616 5.864 5 40 KKBB CCOc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 409318210 XRSAUBFPXZZGMN-ZZXKWVIFSA-N 557.184 6.013 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)c(C)c1 409373994 JFEPIOSJQRMKEQ-FSJBWODESA-N 585.560 7.006 5 40 KKBB CCOc1ccc(NCc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 6090046 CDZUZFUHFACZDX-GOSISDBHSA-N 518.599 5.306 5 40 KKBB Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3Cl)no2)C2CCCCC2)ccc1[N+](=O)[O-] 22257643 OSSGCUIQJRNACS-UHFFFAOYSA-N 519.385 6.000 5 40 KKBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 33680262 AJESRQFHMUWDBQ-MRXNPFEDSA-N 512.031 6.965 5 40 KKBB CCOc1ccc(N=[P@@](Oc2ccc(Br)cc2Br)(c2ccc(C)o2)C(C)(C)C)c([N+](=O)[O-])c1 97983395 WLWIJAJSIOKBSR-MGBGTMOVSA-N 600.244 8.371 5 40 KKBB O=C(Nc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1)c1ccc([N+](=O)[O-])cc1 98002579 BIEJOMPPRDAFGP-UHFFFAOYSA-N 770.714 6.953 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 102086048 KTJXKDYIUVLTIE-IITFXNQGSA-N 598.995 5.638 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@@]21C(=O)Nc2ccccc21 102191036 SHEJUFCNSNOQPC-XGHZCBFSSA-N 611.698 7.040 5 40 KKBB O=C(Oc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(F)cc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 102628709 NYZQOIGPDRDQAV-UHFFFAOYSA-N 615.551 6.050 5 40 KKBB COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 106020943 LBNYTRPIGAZBEM-MPFGFTFXSA-N 579.565 5.182 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 106696012 FBQOHLBVSAXBQJ-XKZIYDEJSA-N 508.483 5.198 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c2=O)=N1 163469539 KOWPYIPQMCERCM-ITNAUSPISA-N 675.785 5.378 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163678195 QHWDVWRSBZKAQI-NFYDWNOTSA-N 729.949 5.832 5 40 KKBB Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)C(C)C)c1 166333503 RMCCFSCVHAMZJR-HSZRJFAPSA-N 579.708 5.322 5 40 KKBB O=c1sc2c(n1-c1ccccc1)S[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H]2c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl 170620927 RIYNVJGXIKZELI-VWSCNBKHSA-N 577.127 7.692 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 214931619 MXRXHMQFVXLBAR-ZVHZXABRSA-N 569.433 6.572 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223813797 BPVABDCULGWKRQ-AREMUKBSSA-N 663.168 5.623 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223985173 GHAJETBHFRWTCH-QYTMHSNXSA-N 702.830 5.671 5 40 KKBB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C 224769740 BQGSDVXPNDOXTM-RRPNLBNLSA-N 529.691 6.756 5 40 KKBB O=C(O)c1ccc(Cl)c(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 224789502 HOHSOCFBDDWAGN-VMPREFPWSA-N 629.119 7.930 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224941867 JCTVESBUVZXOFD-XIFFEERXSA-N 676.767 5.411 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225732179 GWBJLFRTOBNPDO-JGCGQSQUSA-N 628.751 5.202 5 40 KKBB CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+]2(Cc3ccc(F)cc3)CCCCCC2)cc1 226069607 HDJZVWRGYIFUMT-LJAQVGFWSA-N 514.746 6.887 5 40 KKBB CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229630204 UTYYXHFWFQIORA-XMFJDCMESA-N 583.644 6.529 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(Br)c2)n1-c1ccc(Cl)cc1 408573621 TYJUIWOAJWRPTD-MHZLTWQESA-N 609.933 7.834 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408834895 WEJYMSFPDNIJJQ-NULZLWRNSA-N 692.588 5.755 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408943475 HOXYGJVQVJHAJK-AZJUONQGSA-N 676.751 5.768 5 40 KKBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Br)c1)OCc1ccccc1 408999867 SODZUOYKMCFRMM-NRFANRHFSA-N 532.778 5.487 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 409076804 BXEQFMFNDRBYDM-GKTKDVHMSA-N 794.451 6.596 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 409082054 LPHRVKIKRNEPAD-KMBIYUNPSA-N 807.404 5.495 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409093104 XNGJGAAHUMMUDW-FSEOGBMLSA-N 702.967 5.790 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 409096586 LMBQPPFOWBDFOT-MFKUBSTISA-N 612.060 6.300 5 40 KKBB Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)cc1Cl 409177926 HDXOQUBXQNYHCO-UHFFFAOYSA-N 542.931 6.507 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1cccc2ccccc12 409178876 OCSRIRRKJYXMOS-UHFFFAOYSA-N 544.903 5.250 5 40 KKBB O=C1S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1Cc1ccc(Cl)cc1 409242605 WXQSAJBEYXKMGR-SRZZPIQSSA-N 732.721 7.273 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(F)c(F)c1F 409270041 NZONSKCGSSUTGF-UFWORHAWSA-N 676.345 7.261 5 40 KKBB C[C@@H](c1ccccc1)N([C@@H](C)c1ccccc1)p1oc2c(I)cc3ccccc3c2c2c(o1)c(I)cc1ccccc12 1857524066 HCGMZWIDTMZYFT-ZEQRLZLVSA-N 791.407 12.266 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1cccc2c(Br)cccc12 4089869 ZZQIWQUWBNOBBJ-UHFFFAOYSA-N 533.835 5.001 5 40 KKBB CC1=CC(C)(C)N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 6461727 YHBHWYNMBPLBMP-YYADALCUSA-N 590.723 9.219 5 40 KKBB O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 9891835 KIDVFBSDDBSBFX-UHFFFAOYSA-N 514.670 5.413 5 40 KKBB CC(C)(C)c1ccc(Oc2ccc3noc4c5c(Oc6ccc(C(C)(C)C)cc6)cc(N6CCCCCC6)c6noc(c2c34)c65)cc1 98006110 USSIGFSWYUFYRW-UHFFFAOYSA-N 627.785 11.273 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc(Br)cc2)n1-c1ccc([N+](=O)[O-])cc1Cl 101063208 WNMBEFCNKWQDSY-XCVCLJGOSA-N 608.617 6.485 5 40 KKBB COc1ccc(C(OC[C@H]2O[C@@H](n3ccc([N+](=O)[O-])c3)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 101151096 FKBBZTYITRNLKB-ZGIBFIJWSA-N 530.577 5.071 5 40 KKBB O=C(N[C@@H]1C(=O)n2c(nc3ccccc32)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 102849545 FXYINVKSSYTPQJ-PFBJBMPXSA-N 530.540 5.147 5 40 KKBB COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)sc2c1CC[C@@H](C(C)(C)C)C2 102869536 KNSZFXQHZICIMJ-PRFMUHPXSA-N 589.670 5.645 5 40 KKBB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccc(I)cc12)c1ccc([N+](=O)[O-])cc1 103610708 PYUQXEDJFSZSDB-UHFFFAOYSA-N 538.297 5.454 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2s1)Nc1ccc(F)cc1 103770939 BGEUEEQWHGUELI-UHFFFAOYSA-N 585.689 6.415 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4ccc(OC(=O)c5cccc([N+](=O)[O-])c5)cc4)c(=O)n31)c1ccccc1CC2 104655887 DWVQDGFCXYIKEY-SAGCDJCOSA-N 615.667 5.455 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225313041 UNAWNZQDKMPCHB-AREMUKBSSA-N 621.543 5.431 5 40 KKBB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@@]4(C)[C@H]3CC[C@@]12C 257349438 OCFIZNAHQQAOPE-YJRKGGKVSA-N 596.809 9.396 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)cc1 408573433 SUHNINBTYDCHIS-VWLOTQADSA-N 508.575 5.803 5 40 KKBB CCOc1cc(CNc2ccc(Br)cc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408611721 QYPXZFPAQCQOKS-UHFFFAOYSA-N 502.321 6.377 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)cc1 408848653 SCCOZAYSCGXAOI-DYHOBTEUSA-N 757.872 8.306 5 40 KKBB Cc1cc(Br)c(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cc(C(=O)O)ccc2C)C3=O)cc1C 409001909 XTCNLKUJXIMBMO-UHFFFAOYSA-N 574.387 6.678 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409087689 JJYWLEXBVYHZEC-SJXDCSIJSA-N 679.220 5.834 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 409099854 MAAZYYKNPTYSKW-ZRYJBNJPSA-N 679.780 5.572 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)ccc1Cl 409170210 TUEGUTRKFSMDSS-LPYMAVHISA-N 569.979 5.750 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409229626 SAHFDAJGIXTNGS-YDZHTSKRSA-N 602.452 6.554 5 40 KKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3cc(Cl)ccc3Cl)sc2c1 409335183 KDTWWENIFXSVMH-UHFFFAOYSA-N 516.387 6.604 5 40 KKBB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2ccccc2)c1 3224387 QPLUUZJJUCHHKQ-HSZRJFAPSA-N 517.567 5.028 5 40 KKBB O=[N+]([O-])c1ccc2nonc2c1Nc1ccc(Cc2ccc(Nc3c([N+](=O)[O-])ccc4nonc34)c(Cl)c2)cc1Cl 4013422 XSHQQPWGUBEPAH-UHFFFAOYSA-N 593.343 6.960 5 40 KKBB CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(O)=C2[C@@H]1c1cccc([N+](=O)[O-])c1 102641096 JVQPQRRIROLYSC-UGDMGKLASA-N 527.596 7.864 5 40 KKBB C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 102900483 FPMDCDYIGNVTGG-CQSZACIVSA-N 537.504 5.799 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2c(F)cccc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106740540 YWQCNXJDWIQMSG-JJFYIABZSA-N 577.815 6.965 5 40 KKBB O=C(CSc1nnc(CCc2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 150444716 ULMIWHLSGUYCNY-UHFFFAOYSA-N 706.766 6.400 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1OC 163276557 AIOKPPIGFLRHKI-YPCWPJDZSA-N 662.680 5.945 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163679598 IYFFRCDRWKCZPE-MFCBUNOESA-N 668.953 5.701 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214087732 HZSXDMHGJOJLPZ-ZVHZXABRSA-N 524.982 6.462 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224587284 SXBKTVXHGOICLZ-VWLOTQADSA-N 542.463 5.999 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225011897 BXFKDNPTDLPERZ-RUZDIDTESA-N 538.442 5.065 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225058986 LSQTYKMRRMAPIY-MUUNZHRXSA-N 600.568 6.834 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC 225197757 XZVPMRHHSDAPBZ-SVBPBHIXSA-N 543.605 5.784 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)o1 225466883 ZHNNMLAIEIWKOU-CLJLJLNGSA-N 579.660 5.115 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225482063 ZDCALYGTOUIHFT-LJAQVGFWSA-N 614.595 7.224 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260946080 JHXZRGNBBADFAF-DWACAAAGSA-N 645.178 5.483 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261041443 KMWWUWWBCLASPR-IEWVHIKDSA-N 628.751 5.345 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261051226 LZWVDLNYQPYGGB-XDCSYDRFSA-N 741.694 6.969 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F 408568081 HOWPWNBPNUWYHU-DEOSSOPVSA-N 543.020 6.374 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408641378 KESHBJLSNQPQCT-ODEJJYLTSA-N 813.088 8.381 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 408726435 BLBJIZCTYWCUEX-ZSAJNUMDSA-N 632.672 6.792 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 408769716 ZZNNUWGXOAOSBI-LRUGRNCASA-N 630.053 5.896 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408773917 KAJBLTNXXAZCHR-KMCFWPMWSA-N 699.738 5.059 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409033769 PLHNNGYUKIGCHX-PGNBASISSA-N 766.225 5.288 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2=O)=N1 409039210 WQCHLXLEDAVFIQ-QPJBPQEWSA-N 652.523 5.518 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1 409045999 QTALILDVNLBMAD-GSTVVXAASA-N 657.745 5.471 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc24)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 409095349 HOXTZMWZLHBRPY-GTECVEHGSA-N 706.821 6.151 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409100242 URJQYPGVUKELGQ-WKIZKNSPSA-N 679.799 5.340 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409101462 XUGMFRUIOHNBIP-DTDQMKFYSA-N 636.730 5.742 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409116872 MHBOVIRQFNTSPC-UHFFFAOYSA-N 558.827 5.706 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1Cc1ccccc1 409134486 UCPZTYBUMPYEIT-UUWRZZSWSA-N 624.524 8.842 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409189596 RDTDLRACNJWFEF-JBDHCHCMSA-N 746.683 7.087 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409230005 ARJBAZGBRDBYLH-AUEPDCJTSA-N 616.421 5.759 5 40 KKBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc(Br)c1OCc1ccc(Cl)cc1Cl 409338971 COWLIWFWJFEMOV-ZZXKWVIFSA-N 557.184 6.013 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409351058 XGAJGOJFPIGVID-WQNUKSJVSA-N 713.006 6.018 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409364225 WDRLZFWMBXJUMN-IPAKXIGBSA-N 774.033 6.251 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O 409379677 ZMLWVUSUOGMFAF-LEWJYISDSA-N 644.433 5.115 5 40 KKBB O=C(Nc1cccc(OC(=O)c2ccc(Br)c(S(=O)(=O)N3CCCCC3)c2)c1)c1ccc([N+](=O)[O-])cc1 826769 ILTAOUJPLWSBMR-UHFFFAOYSA-N 588.436 5.003 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 2055013 RYQCSPDGOXODPM-UHFFFAOYSA-N 526.456 5.824 5 40 KKBB COc1cc(NC(=O)CSc2nnc(Nc3ccc(SC(F)F)cc3)s2)c(C)cc1[N+](=O)[O-] 12528922 DVMVYHPYIXHFLW-UHFFFAOYSA-N 513.573 5.552 5 40 KKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3cnn4c3N[C@H](c3ccccc3)C[C@@H]4C(F)F)nc12 22825583 LWXWOEDQRNVEOK-DLBZAZTESA-N 502.554 5.731 5 40 KKBB COc1ccc(Oc2ccc([C@H]3NC[C@@H](c4ccccc4Cl)c4c3[nH]c3ccccc43)cc2[N+](=O)[O-])cc1 53356851 JZRNXBOFRKPUDV-MUAVYFROSA-N 525.992 7.355 5 40 KKBB CC1CCN(c2ccc(C(=O)NC(=S)Nc3ccc(Cl)c(-c4ccc(CO)o4)c3)cc2[N+](=O)[O-])CC1 59825762 PVPLPKCOUBZIJV-UHFFFAOYSA-N 529.018 5.364 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(C)cc3)cc12 98048382 SJGWNRLFKVLYMY-UHFFFAOYSA-N 522.535 5.170 5 40 KKBB COc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Nc2ccc(Oc3ccccc3)cc2)c(OC)cc1Cl 100065611 PKRUWWOHEBQXOE-UHFFFAOYSA-N 564.938 6.962 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100342501 QDSBRJCIDBYYGY-LSHDLFTRSA-N 559.915 6.333 5 40 KKBB CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@H](C(C)(C)C)CC4 100344661 QVUAISKDTLSGOL-OAHLLOKOSA-N 584.724 5.926 5 40 KKBB CC(=O)/N=c1/c(-c2ccccc2)cc2cc3cc(-c4ccccc4)/c(=N/C(C)=O)n(C(C)=O)c3cc2n1C(C)=O 100366091 VFQLMCHZZXTWRN-WANSBIPISA-N 530.584 5.145 5 40 KKBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 101589800 KHCJVOYEERZCRS-SOOJPDKZSA-N 599.599 5.502 5 40 KKBB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1c(-c2ccc(Cl)c([N+](=O)[O-])c2)cc2ccccn12 102926012 PMJUOSQHSZFAGZ-UHFFFAOYSA-N 572.470 6.617 5 40 KKBB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)c(C)n1C[C@H]1CCCO1 103060287 FEEBVLDXOPRFJZ-HHHXNRCGSA-N 559.663 5.691 5 40 KKBB COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(OC)c2)cc1OC 103997910 XBCKJXJJUQENJG-NYKYLNBBSA-N 557.603 6.066 5 40 KKBB O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 105302518 UUKCTIOJXNUDPR-UHFFFAOYSA-N 528.771 7.286 5 40 KKBB O=C(Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)c1ccc(Cl)cc1Cl 112244164 UGUHXOWMOJHKOF-UHFFFAOYSA-N 574.446 5.117 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)c(=O)n31)c1ccccc1CC2 163195954 GWNGZSYMGCAOHM-KFOJKGMOSA-N 632.654 5.936 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 163766762 SIIVSACOETZUKM-XWRQZSIYSA-N 710.768 6.560 5 40 KKBB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223263212 OJKMNOBKZVIBDG-HSZRJFAPSA-N 671.987 5.621 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223507268 BVXUPMDGCDSJRO-OOXUFLSTSA-N 707.249 6.315 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224831038 WXNGHWSGWNSOCN-HXUWFJFHSA-N 651.569 5.357 5 40 KKBB O=[N+]([O-])C[C@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1c[nH]c2ccccc12 408567806 HLMFBTBSVYEVCT-LJQANCHMSA-N 520.210 7.225 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408567823 RNTMZVKLRXEXAA-OCAOGGMISA-N 596.453 5.620 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl 408571833 PQWZFOZHOXEADV-RUZDIDTESA-N 559.475 6.889 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 408573952 UGAQWIXKQSWKEV-DEOSSOPVSA-N 556.000 5.835 5 40 KKBB O=[N+]([O-])c1ccc(NCc2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1 408606637 JJOFHIJCXGVZRG-UHFFFAOYSA-N 510.157 6.450 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408685754 QGDXDEQXHIZXKJ-UHFFFAOYSA-N 785.852 7.805 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 408726292 MWQCJJDJFQTIJA-NAIWQIQESA-N 630.078 5.782 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733597 LLDBRAADPLMCNZ-YVBHXKDBSA-N 640.630 5.443 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 408836208 ZMAVYSKYLGAXKR-QARYAGPDSA-N 703.398 6.355 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2ccccc2c1Cl 408837987 BCSSNZPYBWTXHC-LICLKQGHSA-N 674.337 8.657 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 408843852 UJNOTIJYWNYAII-ASZNLBCTSA-N 708.070 6.275 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC)cc1 408916220 WELUDGBXMVBNBL-WJTYMRCSSA-N 684.774 6.246 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 409078458 IEIYUFLYSKCCIP-NBQDTTAVSA-N 620.687 5.668 5 40 KKBB COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)c(OC)c1 409140024 CXFNYNVOGVWYAC-GDLZYMKVSA-N 509.562 5.973 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4Cl)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409142010 ADXTYMIZCMSOHT-WQNUKSJVSA-N 682.980 6.010 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409142898 DYWIAMHZQYJXQK-ZNRKBWGRSA-N 684.199 6.055 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O 409163763 XNAQGLGSEBBCEG-SSDVNMTOSA-N 650.429 7.460 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409190836 REIAGHYCIJUKAF-PYCBVSLESA-N 747.255 5.807 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)cc1 409243363 YAZSMYZWFAJPSG-WSDLNYQXSA-N 573.505 6.090 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc(C)c1 409273886 MPBJTAMORKYSAO-YSMPRRRNSA-N 532.574 5.800 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409386401 PWWDTQXQLSHBPR-WSDLNYQXSA-N 572.979 5.842 5 40 KKBB COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409392396 MACBQIVGHHPXMV-FMCGGJTJSA-N 613.433 5.174 5 40 KKBB Cc1c(C(=O)NS(=O)(=O)c2ccc(NCCN3CCOCC3)c([N+](=O)[O-])c2)n(CCCc2ccccc2)c2ccc(Cl)cc12 585272621 OJVAEHVOVVCAGI-UHFFFAOYSA-N 640.162 5.007 5 40 KKBB O=[N+]([O-])c1ccc(-c2cccc(Nc3nc4ccccc4nc3NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 2266298 WNJNGTUJKVHXBG-UHFFFAOYSA-N 531.981 6.403 5 40 KKBB O=C(NCc1nnc(SCc2cccc(C(F)(F)F)c2)n1-c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1Cl 2965834 XFPFUADYDVZXII-UHFFFAOYSA-N 565.936 6.209 5 40 KKBB C[n+]1c(-c2cccc(OCCOCCOc3cccc(-c4c5cc(N)ccc5c5ccc(N)cc5[n+]4C)c3)c2)c2cc(N)ccc2c2ccc(N)cc21 28762683 REPXTSIOSPBXKP-UHFFFAOYSA-P 702.859 7.086 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 38204002 HXVRMIWYMBDCEM-KKBLXHKSSA-N 522.605 5.868 5 40 KKBB O=[N+]([O-])c1cc([C@@H](Nc2ccccn2)n2nnc3ccccc32)ccc1Sc1cccc2cccnc12 59488702 ABZCCGRAGBAQSL-MHZLTWQESA-N 505.563 6.093 5 40 KKBB CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 102761299 AOALKDZKDYFDQM-DNVJHFABSA-N 512.349 5.515 5 40 KKBB O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 103602779 RMVMWKIXQRQJKV-XAZDILKDSA-N 571.589 5.317 5 40 KKBB CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 105306360 SVSLEBIELAGJKH-UHFFFAOYSA-N 545.621 5.237 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(F)cc1 150394610 KQLJYGMEJIOANT-LRUGRNCASA-N 630.053 5.896 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223567198 YMUDJZBBYHYTKI-JGCGQSQUSA-N 723.646 5.646 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224523084 XBLGRMRMMFMHCG-OAQYLSRUSA-N 538.428 5.155 5 40 KKBB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1nccs1 224764132 MNTKJBWPDVHWEN-SXOMAYOGSA-N 584.752 7.182 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(Br)cc3)cc2)cc1 224782404 WDCQPMFUABJSFB-VMPREFPWSA-N 628.577 7.871 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 224899969 WAHULCSQSNTIAN-MRXNPFEDSA-N 538.428 5.155 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 225044055 USZBHIXCYQHIER-NDEPHWFRSA-N 647.581 5.367 5 40 KKBB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12 408720723 XQFYNYUSOILBAY-QKENHZOPSA-N 506.558 5.619 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 408812784 NLTXRGCBFNYKLE-MFCBUNOESA-N 608.047 5.078 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408833194 WMRMBPRHBOEWNX-ASZNLBCTSA-N 587.654 5.064 5 40 KKBB O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 408917884 CJBCSAPPDSMGPE-CAZKKTPXSA-N 554.194 5.261 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1cccc(Br)c1 408989569 IGWRMYZKSHAHDV-KUAKTGBJSA-N 745.658 6.960 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409000442 YVMMPXUCCYRSOV-KLKBWYFJSA-N 648.535 5.435 5 40 KKBB COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1OC 409119967 RLEUFMISFJOZHE-LJAQVGFWSA-N 509.562 5.973 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(Cl)cc1 409152683 GBDHPBWFIIMBFR-VXLYETTFSA-N 518.334 5.837 5 40 KKBB O=C(Oc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409177381 GCLMSBQPWXYCTB-UHFFFAOYSA-N 520.475 5.347 5 40 KKBB CCCCc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)c(C)c1 2559218 PCDRLLZRBNFGNK-UHFFFAOYSA-N 520.036 5.734 5 40 KKBB CCCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc12 8974204 KNRCFIBPOKNYFQ-UHFFFAOYSA-N 510.568 6.259 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1[N+](=O)[O-] 59331600 XITDJPPOFZKOQM-UHFFFAOYSA-N 518.599 5.286 5 40 KKBB C[C@H]1CC2=C(N=C3SC=C(c4cccc([N+](=O)[O-])c4)N3[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 100817573 GWLCTGUEUKEYNQ-DIJYRFEDSA-N 527.596 8.099 5 40 KKBB O=c1/c(=C\c2cc(Cl)cc(Cl)c2O)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 100958349 AGIHPYQYFIRIDB-XOBACGFXSA-N 550.423 5.239 5 40 KKBB COCCn1c(=N)c(-c2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccco3)s2)cc2c(=O)n3ccccc3nc21 102626005 RJFHHBNKMZGCHU-UHFFFAOYSA-N 573.034 5.064 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1C1CCCCC1 102930434 RUGBTFGKYCEYKR-VHEBQXMUSA-N 581.654 6.483 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@H](c3ccc(Cl)cc3)[C@@H]2C1 105833386 NCHSUHDONALJLJ-CSYUXVGKSA-N 554.861 8.238 5 40 KKBB COC(=O)c1c(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@H]3C2=O)sc2c1CC[C@H](C(C)(C)C)C2 150437023 ZSYZZLHPWWHBHK-MIGOAREESA-N 739.803 6.873 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223818749 WBMSSMKFRKZIRC-QFIPXVFZSA-N 526.486 5.859 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c(Cl)c2)o1 224146634 HHDGKRXRCXNLAO-LODYVVOKSA-N 618.159 7.571 5 40 KKBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224358114 XSPLWYNFLCWKGF-HXUWFJFHSA-N 621.543 5.286 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224649421 YIUVKFXAWDJFEP-HHHXNRCGSA-N 659.205 5.649 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)o1 225144369 MWZARBPZCNBAER-SVBPBHIXSA-N 592.077 6.683 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(F)cc1 225603915 NTJZMXQRCJVRKW-UIOOFZCWSA-N 531.569 5.390 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 229873064 WSGLHCKEQPBWEB-CILKRHGOSA-N 576.008 6.104 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 229873369 PSQFWVFXXVDHGV-CILKRHGOSA-N 541.563 5.451 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1Cl 408568219 HXSKMVAWHBPVIT-XMMPIXPASA-N 603.926 7.079 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408689581 YQXODFVSEMVZDW-UHFFFAOYSA-N 761.959 6.407 5 40 KKBB CCOc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408841957 HJGYMPKLWGHCBN-UDWIEESQSA-N 562.987 6.734 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408843194 RWMSXXNEVALUKJ-WGJPBTIMSA-N 637.689 6.366 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408859964 WFXWDOMARAHEQT-TZUCAZQYSA-N 674.688 5.203 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408937575 JXNQDTKQGQVZCW-DDIUQFJASA-N 783.641 6.076 5 40 KKBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409093703 AOXICFFOJTVIMK-DTQASYIRSA-N 555.790 5.188 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 409143792 JFCSMXDEDSLVBQ-ITNPZBTBSA-N 664.769 5.349 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(Br)c4)C3=O)o2)c([N+](=O)[O-])c1 409153158 HININCINBXIZBE-RGVLZGJSSA-N 515.341 5.862 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)ccc1Cl 409159269 ZXRBXOCPQCWBIB-CIAFOILYSA-N 555.952 5.360 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 409192633 DAYZUWQKBQXREH-XGLKJEJJSA-N 740.292 6.927 5 40 KKBB COc1ccc(Cl)cc1C1=N/C(=C\c2cc(Br)cc(Br)c2OC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O1 409192687 FENBRMTYWYQEIM-OCKHKDLRSA-N 636.636 6.346 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 409194117 MYNCPVWIXSEEPY-LIUIRDFASA-N 737.603 5.678 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409198285 BQQCEUCAQWYBJZ-FSJBWODESA-N 555.406 6.181 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccccc1Cl 409233326 UYLQOJWNJSTXRX-SRZZPIQSSA-N 681.746 7.027 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409246227 GRQGQEVAGKBMCA-WSDLNYQXSA-N 507.930 5.237 5 40 KKBB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 409268220 RSNKRBPAOZNUCR-UHFFFAOYSA-N 531.590 5.560 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409273094 PRRGULNIDMEQOV-YDZHTSKRSA-N 519.491 5.001 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1 2683564 RGUBUFQMKLMUEY-RISWYLRJSA-N 575.668 5.077 5 40 KKBB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCc3cc(=O)oc4ccc5ccccc5c34)cc12 3358465 AWTLOODOZBWLOQ-UHFFFAOYSA-N 500.963 6.665 5 40 KKBB COc1ccc(Oc2cc(C[C@@H]3c4cc(OC)c(OC)cc4CCN3C)c([N+](=O)[O-])cc2OC)cc1OC 5086595 ZXMMPJVLFAYCRR-JOCHJYFZSA-N 524.570 5.202 5 40 KKBB O=[N+]([O-])c1cccc(-c2nc3c4cc(I)ccc4c4ccc(I)cc4c3[nH]2)c1 6445418 JYQAKWICJUCBNK-UHFFFAOYSA-N 591.146 6.654 5 40 KKBB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3-c2ccccc2)c([N+](=O)[O-])c1 14359347 XAPZOXYXTXUUIH-UHFFFAOYSA-N 521.533 5.408 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 33646377 YSENSHJCQDXMGQ-SSVHHLKVSA-N 510.502 5.056 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5ccc6c(c5)oc(=O)c5ccccc56)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 70665227 HCSFRBRVRMVEBY-UOFXQUEDSA-N 652.916 10.668 5 40 KKBB Cc1ccc(N2C(=O)N(c3ccc(C)cc3)C(=O)C3(Cc4cc([N+](=O)[O-])ccc4N4CC[C@@H](C)C[C@H]43)C2=O)cc1 97956276 ZHMPSVRXUUTODJ-ZBLYBZFDSA-N 538.604 5.559 5 40 KKBB CCn1nc(-c2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)cc1C(F)(F)F 98046249 MUJQEHRZKZJBQJ-UHFFFAOYSA-N 515.471 6.394 5 40 KKBB Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c2)CC1 100257321 HKNGFCDSSXGQNA-UHFFFAOYSA-N 598.582 5.119 5 40 KKBB CC(C)(C)c1ccc2[nH]c3c(cc(NCCCNCc4ccc5c(c4)OCO5)c4c(=O)c5ccccc5c(=O)c43)oc2c1 101762760 DXMSIXPWVUJLGJ-UHFFFAOYSA-N 575.665 6.559 5 40 KKBB CCOC(=O)[C@H]1CCCN(CCCNc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1 102468383 NORSNWNIUFFSLP-NRFANRHFSA-N 581.713 6.316 5 40 KKBB COc1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)C[C@@H](C(C)(C)C)C3)c(C)cc1[N+](=O)[O-] 103081872 XRUOIGOAMQEHTO-WOHXKIKESA-N 599.709 7.466 5 40 KKBB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 103132666 DVSPGMUQSWEVDW-UHFFFAOYSA-N 519.469 5.070 5 40 KKBB O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105321556 UPLQBDAFWSLFTH-UHFFFAOYSA-N 530.968 5.723 5 40 KKBB CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC(=O)C[C@H](COC(=O)C[C@@H](C)CCCCCCC[C@@H](C)CCCC(C)C)CO[P@@](=O)(O)OCC[N+](C)(C)C 150343597 MCQUNSGKFVLGIP-CKYPCTIUSA-O 831.278 13.629 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150395620 ATKDEBKBEUKMJD-CTHKJOMYSA-N 672.115 5.774 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 150396553 XUBSRKRBUCMRGI-POKSHJSXSA-N 637.739 6.134 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163623557 FMIRPFPGHMLPRB-OLROSQPISA-N 674.879 5.452 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 163777350 RBAUOUUOIVFCFE-ITNPZBTBSA-N 733.609 6.481 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223563735 PMXCUUBWRMPDJC-OOXUFLSTSA-N 707.249 6.315 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224941933 LVBHCAWRUGVCKE-NDEPHWFRSA-N 549.668 5.666 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225131183 ZDKURGCJTZUZKI-JOCHJYFZSA-N 613.136 5.310 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225347526 GXEUYYXNRWONDC-MGBGTMOVSA-N 642.778 5.655 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260807115 QYKFAGDTVKJBRI-RUZDIDTESA-N 636.771 5.282 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408642641 NMPCXNCAOZAGCW-MQVPCNEGSA-N 604.015 5.129 5 40 KKBB O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408767129 DRCBNEARZHDCGN-FCVOFCDTSA-N 600.483 6.794 5 40 KKBB COc1cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408809879 SLHFWOGSHIAUFX-QBISKZJASA-N 558.680 7.236 5 40 KKBB O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408845204 PLNVYCYRFHAPCX-WOJGMQOQSA-N 583.803 6.789 5 40 KKBB O=C1N/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 408935719 NJBXSZPPRDSWBU-MTJSOVHGSA-N 542.773 5.683 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 408999676 RXRRRLNPXCCSBK-DFXMODJXSA-N 694.747 6.266 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 409150104 AFKZREAPHZQEAI-YDZHTSKRSA-N 535.603 5.571 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)ccc1Cl 409169861 RKUKMBXJCHWXJI-CVKSISIWSA-N 624.071 6.459 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409259464 ZTNVJOUPRUHQJT-BHGWPJFGSA-N 617.861 6.518 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409355561 DDDFFHLEJYBQRP-SELCLYCASA-N 606.704 5.326 5 40 KKBB Cc1cccc(Oc2cc(NC(=O)c3nc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)c1 3139681 XLYYVDNOIANJEF-UHFFFAOYSA-N 540.483 6.133 5 40 KKBB COc1ccc(C2=NN(c3nc(-c4ccccc4)c4cc(C)ccc4n3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 11617453 VROWNPVGBYXREU-GDLZYMKVSA-N 515.573 6.878 5 40 KKBB C[C@@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)c1ccccc1 12542876 AHNPNNIVEBOEOI-OAHLLOKOSA-N 500.502 5.922 5 40 KKBB CCn1c2ccccc2c2cc([P@@](/C=C3/N(C)c4ccccc4C3(C)C)(=NC(=O)c3ccc([N+](=O)[O-])cc3)N3CCOCC3)ccc21 97984627 JSWDPUZYEKFLDI-DXMBPHHXSA-N 647.716 7.906 5 40 KKBB Cn1c(Sc2ncnc(Sc3nnc(-c4ccc(C(C)(C)C)cc4)n3C)c2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 98042780 AXROPVRGUOMRFP-UHFFFAOYSA-N 615.789 6.873 5 40 KKBB Cc1ccc(N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]2C[C@H](C)N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccc(C)cc32)cc1 100152309 CWDBVXKWBFGBHL-YKYAZFJMSA-N 616.674 7.746 5 40 KKBB Cc1ccc(S(=O)(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2cccc3c([N+](=O)[O-])cccc23)cc1 101655126 NGSAMGFLOYSJQP-HSZRJFAPSA-N 565.651 6.421 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105313213 LZRHKSFYEWSEIW-UHFFFAOYSA-N 551.628 6.673 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c2=O)=N1 150492691 PDDQINPLBQOQMW-LCQSEVKBSA-N 659.493 5.944 5 40 KKBB O=c1/c(=C\c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 163502564 UNZMHXLGWMFRFW-ASUJOLEISA-N 639.686 5.134 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214178688 RKCHXTJQBDKUDM-ZVHZXABRSA-N 524.982 6.462 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Br)cc1 214942544 MHVQBLYDHGGZDW-UFFVCSGVSA-N 658.246 8.167 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214983751 XXMJFOVXSFZKQM-WSDLNYQXSA-N 559.825 6.826 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)o2)c1 223957197 XDSAIFGEHYZVHK-KAYWLYCHSA-N 527.606 5.264 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225418174 FQALUSBGUQBXKI-MGBGTMOVSA-N 741.694 6.970 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 225635535 HVSOBZKGZCXMFZ-NSOVKSMOSA-N 540.649 5.399 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260996765 QXAFQTAGPQEHSH-KCWPFWIISA-N 659.205 5.525 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261053391 MKFGYHHLIAUUPE-GOXGLGGOSA-N 707.647 6.107 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 408570896 MFZUEHGSBAWITQ-VWLOTQADSA-N 575.474 6.589 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccccc1 408577769 ZUHPRVARIMENPD-QHCPKHFHSA-N 515.422 6.572 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408641328 JZTQEZYHLGNOFF-UHFFFAOYSA-N 697.281 6.420 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)cc2)CC1=O 408657599 INTPYFSFTUTUBS-NSHDSACASA-N 639.231 5.976 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408938183 KXEHRHBBMQLGNT-YVBHXKDBSA-N 727.033 6.489 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1 408994846 HCUWJJUZTDKUAR-GNZKFENCSA-N 711.752 6.225 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)cc1 409034835 IGHSQIZAIDVXGB-DWDWTKASSA-N 724.839 7.618 5 40 KKBB COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(c4ccc(C)cc4)c4ccc(C)cc4)[C@H]3C2=O)c([N+](=O)[O-])c1 409045813 IELSYJJUGRHMIF-VHRRBUMHSA-N 506.558 5.644 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1Cc1ccccc1 409125673 DSJLHRPREUYQMY-HHHXNRCGSA-N 528.952 6.518 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl 409158877 PJXLFCNMCUDBRO-BRJLIKDPSA-N 694.040 7.310 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409170813 WNNNPQQXOKZXAR-LPYMAVHISA-N 569.979 5.750 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1F 409253709 GMLWVZOABUUVDR-ODCIPOBUSA-N 658.355 7.122 5 40 KKBB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409376475 AZVIMGMVBCVWSQ-NRFANRHFSA-N 530.400 5.704 5 40 KKBB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 409380973 CMZVVUDOHCYTNE-PMACEKPBSA-N 614.407 5.107 5 40 KKBB COc1ccc(CCn2c(C)c(C(C)=O)c3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OC 999198 CRDWSJIURSKSQS-UHFFFAOYSA-N 502.523 5.540 5 40 KKBB O=C(Nc1cccc(Cl)c1)OCC(COC(=O)Nc1cccc(Cl)c1)(COC(=O)Nc1cccc(Cl)c1)[N+](=O)[O-] 4768969 ATDZGAVNORGSOH-UHFFFAOYSA-N 611.822 6.708 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1C 14274109 XJXWAWVZJSSBMW-UHFFFAOYSA-N 512.547 6.407 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 97949087 VAVPYYZCKUMCKD-RSXGOPAZSA-N 642.432 7.747 5 40 KKBB Cc1ccccc1NC(=O)C1(NC(=O)c2cccc(N3C(=O)CS[C@H]3c3ccc([N+](=O)[O-])cc3)c2)CCCCC1 98044753 YSIGIUVSYVETKJ-NDEPHWFRSA-N 558.660 5.753 5 40 KKBB O=C(OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 100390706 LFIIYFNPEOPSCZ-SZPZYZBQSA-N 534.952 6.077 5 40 KKBB O=[N+]([O-])c1cccc2c(N(C[C@H](O)Cn3c4ccccc4c4ccccc43)S(=O)(=O)c3ccccc3)cccc12 101192431 KDMVACOEYJCAFK-JOCHJYFZSA-N 551.624 6.112 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N23)c1 102884827 WPRUOCSKEYLTNL-WFPUBZAHSA-N 571.589 5.460 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(F)cc1 105251042 RELSBNAOMCZLRG-UHFFFAOYSA-N 538.801 5.939 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 111469803 OPUJPEXYWSNMMN-ZHGFHMGHSA-N 607.644 5.112 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 163691992 ZLIBGNIBQGCLRX-FUFNRSNVSA-N 664.534 5.057 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223875390 RQFLGQRSUAHFRP-NFQMXDRXSA-N 635.570 5.222 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224291120 WKPZRZUZIAPKNO-MUUNZHRXSA-N 613.136 5.310 5 40 KKBB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CCCC1 224770038 ILTXKZWXHYPGRE-LOYHVIPDSA-N 569.756 7.852 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225462416 XCEMFWVHMSTZKT-NDEPHWFRSA-N 568.501 6.533 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260932111 PCNFDTGTXOXELV-PSXMRANNSA-N 747.314 7.158 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408571661 PLDRTKBZGDLKHY-DEOSSOPVSA-N 545.448 6.580 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 408575076 VYKGXVTVWKUKBF-DEOSSOPVSA-N 569.481 6.344 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 408639340 FPHGDYFNMMGBGY-CQLNOVPUSA-N 638.460 5.782 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408643879 GPFPOTWHAZYVLY-DHIUTWEWSA-N 594.407 5.885 5 40 KKBB Cc1cc2nc3s/c(=C\c4ccc(Oc5ccc(C(F)(F)F)cc5[N+](=O)[O-])c(Cl)c4)c(=O)n3c2cc1C 408774700 QEMLYCJKQIXPEO-YVNNLAQVSA-N 545.926 6.446 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(SC)cc1 408775396 GLIUJOHVPKVEBO-IQPMGOHCSA-N 686.815 6.569 5 40 KKBB O=c1/c(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 408843534 NMQPZQYKRVKFQR-PYCBVSLESA-N 577.687 5.867 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 409149636 LSSCQZCJGMQDBV-SUAMDDGLSA-N 647.804 5.375 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl 409173543 JOUNUUIVNDPAIA-LGJNPRDNSA-N 685.067 6.589 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12 409178702 HRIYQKHVJUDRMS-DHUJRADRSA-N 570.645 8.639 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(OC(=O)c2ccc(C)cc2)cc1 409179165 PQTNRDDLXXHZCY-UHFFFAOYSA-N 628.977 5.625 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409270786 ASWHCEGXNPZUOG-KEBDBYFISA-N 558.322 5.445 5 40 KKBB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409347175 MNPCGAFRJXJLSM-UHFFFAOYSA-N 504.012 5.601 5 40 KKBB CCCN(CCC)C[C@H](O)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(Cl)c(Cl)cc12 1568031 MDEZWUCWFGHWMB-NRFANRHFSA-N 526.348 8.493 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2cccc(Cl)c2)=Nc2ccccc21 1900933 DXSKXMNRECJVCF-NDEPHWFRSA-N 560.017 7.538 5 40 KKBB COc1cc(C(=O)N2N=C(c3c(-c4ccccc4)c4cc(Br)ccc4[nH]c3=O)C[C@@H]2c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 8386555 FMQPGNJRDPFUFC-HHHXNRCGSA-N 683.515 6.883 5 40 KKBB CC(C)(C)c1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 15906676 XROHBWIWBXSVTC-UHFFFAOYSA-N 505.958 5.489 5 40 KKBB CCc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc32)cc1 16157447 HDPXRNMZAAMTCQ-GDLZYMKVSA-N 519.066 8.160 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 20153243 CXTLYNRTMMTETF-UHFFFAOYSA-N 514.991 5.118 5 40 KKBB Cc1ccc(NC(=O)CSc2nnc3c4sc5nc(-c6ccccc6)c6c(c5c4ncn23)CCC6)cc1 53305986 GOBBCOYMMVAKTR-UHFFFAOYSA-N 522.659 6.082 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2-c1cc(Cl)cc(Cl)c1 97952334 CKBMLLQUAXNGGL-UHFFFAOYSA-N 520.807 6.601 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc4ccccc4c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100360745 OLKCBJZIOTWTNH-JFLMPSFJSA-N 571.567 7.084 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(Br)cc2)nc2ccc(F)cc12 100586796 DXMMQGOZBWDSCP-UHFFFAOYSA-N 527.375 6.146 5 40 KKBB O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1Cl 105319220 DRBZVXIAWBWKBB-UHFFFAOYSA-N 567.646 7.302 5 40 KKBB COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(C3CCCCC3)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 150383425 JFIFELHTGQHQEE-UHFFFAOYSA-N 674.594 10.526 5 40 KKBB O=[N+]([O-])c1ccc(C2N(Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)CCCN2Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 159436653 MFOYFAKVEUEVFS-UHFFFAOYSA-N 707.785 8.985 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 205784628 DBIGNQSIVWOTAY-RGVLZGJSSA-N 626.425 5.165 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223262798 FQZQNCZMAJWEDQ-NRFANRHFSA-N 649.141 5.233 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223364934 PIUBWXFOYSKPET-RUZDIDTESA-N 526.058 5.258 5 40 KKBB COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NC2CCCC2)cc1 224061282 MALCEKIYUAVJNR-QFIPXVFZSA-N 673.188 5.245 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224089998 MJQGQMPLGAQQDR-XIFFEERXSA-N 707.249 6.235 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225254728 CKHBEEMFXSSNQC-WOJBJXKFSA-N 621.543 5.429 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225258193 WDUAXXSOPBUWAU-QNGWXLTQSA-N 712.869 6.505 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1 225536100 BJFXLDACZSVUFZ-IZZNHLLZSA-N 513.579 5.251 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225553896 LKHINNLFIDCGQF-MGBGTMOVSA-N 786.145 7.079 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225732211 GWBJLFRTOBNPDO-YTTGMZPUSA-N 628.751 5.202 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408564829 FYKRIOHMDMBBFZ-HVZWKLCKSA-N 513.594 5.027 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(Cl)c1 408565308 BQMLICDWAVZVAO-QHCPKHFHSA-N 624.344 7.343 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 408566576 FQAJGISVJGTOBW-RUZDIDTESA-N 573.046 6.465 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1Cl 408568216 HXSKMVAWHBPVIT-DEOSSOPVSA-N 603.926 7.079 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 408569552 JNBFOJJYDAFHLZ-HSZRJFAPSA-N 634.350 6.798 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(F)cc1 408577300 YZMIDGAIIPHIEF-XMMPIXPASA-N 512.538 5.552 5 40 KKBB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Br)cc1 408694519 JZSJHQGRPOHDGK-UHFFFAOYSA-N 512.751 5.819 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(Cl)cc(Cl)c3O)c2=O)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729173 ABHZBVMTEVIMQC-QVPVGFNESA-N 684.554 5.806 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 408783975 PTSVWDGNRGBIBO-CTHKJOMYSA-N 666.643 5.683 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)cc1OCC 408941443 VUMJDQJPYJEECS-USPXUGGPSA-N 802.556 5.037 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409158154 SEEDATWFUBBLES-WYMPLXKRSA-N 633.626 7.202 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(F)cc1F 409273619 KJHSZNNPNIWDQH-DJKKODMXSA-N 519.869 5.461 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 409333140 NLXSCYKFFAOHIQ-HSZRJFAPSA-N 511.987 6.626 5 40 KKBB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2cccc(Cl)c2)c1 6442749 JFMPMQUVMOEWSI-KRWDZBQOSA-N 508.003 6.232 5 40 KKBB CC(C)c1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3s2)cc1 59459211 FONIHYXPLKAOJY-UHFFFAOYSA-N 506.609 6.311 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 103032507 CHWZMDOEROPJJY-UHFFFAOYSA-N 568.833 5.162 5 40 KKBB Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])nc3cc(-c4ccccc4)sc3c2=O)c1 103127997 LHYBYBHTLZTWTA-UHFFFAOYSA-N 556.669 6.678 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c2=O)=N1 104681222 CJOBUJYZGZKZSF-PKYOQBLNSA-N 620.127 6.524 5 40 KKBB Cc1nc(Nc2cc(I)ccc2C)c([N+](=O)[O-])c(Nc2cc(I)ccc2C)n1 104822373 NMJRBFFOSICPSY-UHFFFAOYSA-N 601.186 6.006 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3O)nc2c1 105306060 HZDAORQDDVPKBK-UHFFFAOYSA-N 559.648 6.349 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 105498999 KFIYTMZWRZIPMW-CBYYHRJHSA-N 596.086 5.342 5 40 KKBB CC(=O)O[C@@H]1C[C@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1 118913752 GVEAYVLWDAFXET-VUTWFTBKSA-N 572.875 6.111 5 40 KKBB in-vitro O=[N+]([O-])c1cc2c(cc1S(=O)(=O)O)[C@H]1[C@@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150389149 BCPWEHMVDWTVEJ-POTUSSLISA-N 798.781 8.946 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3Cc3ccco3)cc2)cc1 224768475 BCGLYOXTEJIAFQ-NSOVKSMOSA-N 553.669 6.761 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224851814 JKPXBJWEJQHGMP-MHZLTWQESA-N 635.570 5.677 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]2[C@H]2[C@H]1Sc1[nH]c(=O)sc1[C@H]2c1cccc([N+](=O)[O-])c1 245242058 YDFNPRCPBPZTAW-LXKXAPTBSA-N 573.574 5.041 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260996762 QXAFQTAGPQEHSH-HOFKKMOUSA-N 659.205 5.525 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 261066220 OTGLLJDNDQNDNI-JGCGQSQUSA-N 642.778 5.653 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408566457 OHLYPPZXWRYHCY-NUWWLQTNSA-N 582.426 5.230 5 40 KKBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N1c2ccccc2Sc2ccccc21 408604433 JAHXANJIRLZXDG-FYWRMAATSA-N 529.574 6.669 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408640858 JDLMYZYYOKJFJH-CLJLJLNGSA-N 646.450 5.158 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408683553 LNWOZGJTOHTOMX-QYVZARNFSA-N 563.997 5.698 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408684498 NPTFGWYOSSDENM-FZDFQQAASA-N 547.542 5.184 5 40 KKBB O=C1S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccccc1 408806784 BGESTGXDUCSPBC-NDENLUEZSA-N 684.249 6.624 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408831272 PBVUAUPSTXAQFX-PRLWALMFSA-N 587.654 5.062 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408839173 OHKQTVOLQGGSCZ-YBFXNURJSA-N 583.405 7.079 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409046513 KLAICQHCIDPRIZ-FIXXDFOUSA-N 752.640 5.852 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409089905 PBPVVRDWJAZBKK-OXWVMCNISA-N 619.168 5.816 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409102799 WBFDQTCNDOIZDI-WBRJKWTCSA-N 699.833 6.485 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccccc1 409274960 HACFMXPZGQMYTJ-ZEZCTPEWSA-N 608.720 5.080 5 40 KKBB COc1ccc(C[C@H]2c3ccccc3CC[N+]2(C)C)cc1Oc1ccc(C[C@H]2c3ccccc3CC[N+]2(C)C)cc1 1766825 CHPHCFWSDPAATF-PXLJZGITSA-N 548.771 7.320 5 40 KKBB O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 1844955 QJXFMIIJVTXZRZ-UHFFFAOYSA-N 580.687 5.659 5 40 KKBB Cc1ccccc1N(C(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)c1ccc2ccccc2c1 3143274 OFGJMIPYRALHPG-UHFFFAOYSA-N 527.536 6.836 5 40 KKBB COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 3258980 YIJSAQAKHVJOLA-UNOMPAQXSA-N 528.999 5.434 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccccc2F)C(=O)N1Cc1ccccc1[N+](=O)[O-] 3769236 ZDCRNYRHXLDKKR-UUYOSTAYSA-N 543.370 6.312 5 40 KKBB O=C(c1ccccc1)c1ccc(-c2nc(-c3c4ccccc4c(Cl)c4ccccc34)[nH]c2-c2ccccc2)cc1 8440359 SVSYCMUWYKADCH-UHFFFAOYSA-N 535.046 9.602 5 40 KKBB COc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1OC 8903894 MDBBNASVTVJYAN-UHFFFAOYSA-N 502.527 5.663 5 40 KKBB Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3c(C)cc(Br)cc23)cc1[N+](=O)[O-] 97948169 WXFXOWNIDQTZKH-UHFFFAOYSA-N 555.226 7.204 5 40 KKBB O=c1oc2cc(S(=O)(=O)Oc3ccc(Cl)cc3)ccc2c2ccc(S(=O)(=O)Oc3ccc(Cl)cc3)cc12 102415318 HRMSTVYJKIBETG-UHFFFAOYSA-N 577.419 5.788 5 40 KKBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1cc2c(s1)CCCCC2 103125203 SFYNFSKRGCXSNT-QFIPXVFZSA-N 529.412 6.225 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c2=O)=N1 103826950 UPXVFEGZRSZFAQ-PKYOQBLNSA-N 617.680 5.072 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 103913429 HEITVZDYDLUJRN-HRIDGTDGSA-N 549.583 5.626 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 205659644 ZJKROIDRYMWJAS-GEVRCRHISA-N 657.804 7.787 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 205780157 JZNSUPRJJJOYAI-RGVLZGJSSA-N 579.425 5.323 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 215209650 DUXWWIDABVTMKT-SSDVNMTOSA-N 633.376 6.145 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224559078 KUQBTPYOORBZNU-HKBQPEDESA-N 697.641 6.652 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225565105 MDHYOZOJKNXCOH-FQEVSTJZSA-N 651.569 5.356 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408564753 FTOJUAKUKNNPND-BQGAEBSMSA-N 598.881 5.745 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 408565374 JZOBSECKBNTFIC-KIHBTMOLSA-N 516.356 5.280 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c1)[C@@H]1CCCN12 408566804 OTSAWQZRBMEOAX-UUNMANHLSA-N 542.394 5.766 5 40 KKBB Cc1c(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408633890 MUVHSVBAXDSDQP-OYKKKHCWSA-N 546.008 6.563 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408663060 YCUKCAZEGPTTMR-DHIUTWEWSA-N 594.407 5.885 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3c(O)ccc4ccccc34)c2=O)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729623 BPHKVUKOWVODOC-RIFKOAFWSA-N 651.697 5.262 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733904 RMBYWVGASLCLID-AWPXEQHHSA-N 704.588 7.161 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408996191 LKDCMQWSBYWTMW-JREUYWDSSA-N 732.840 6.159 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409170804 XHHUUIMXUPSYRW-SRZZPIQSSA-N 586.376 6.303 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 409175776 CTEATHDHFBHOGZ-KSEXSDGBSA-N 616.877 6.573 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409269128 FQAIFDWGHTUSSS-WSDLNYQXSA-N 573.505 6.090 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1F 409275975 NMANJFGDTHNOOU-FBHDLOMBSA-N 561.975 6.353 5 40 KKBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(Br)c1OCc1ccccc1Cl 409346838 ORDOEJWVJZRKPG-FPLPWBNLSA-N 522.739 5.360 5 40 KKBB CCOC(=O)COc1cc(NC(=O)c2sccc2Oc2ccccc2[N+](=O)[O-])c(Cl)cc1Cl 1397947 YCDDOSSJPOFNAK-UHFFFAOYSA-N 511.339 5.950 5 40 KKBB O=C(CS(=O)(=O)c1ccc(SC(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl 1794514 KVVBURWPBKBLKM-UHFFFAOYSA-N 522.832 5.291 5 40 KKBB CC(C)(C)c1ccc(CSc2nc3cc(C(=O)N4CCC(C(N)=O)CC4)ccc3c3nc4ccccc4n23)cc1 2970638 VJEHSFPWMMGCEJ-UHFFFAOYSA-N 551.716 5.963 5 40 KKBB O=C1OC(c2cc(I)ccc2Cl)=N/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 3108846 GVUJJTXOTUSRPI-GIJQJNRQSA-N 591.701 5.898 5 40 KKBB CCOc1ccc(-n2c(COc3ccc(Br)cc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 3323554 WHBRLIJLRAAYTG-UHFFFAOYSA-N 541.427 6.208 5 40 KKBB O=[N+]([O-])c1cc(Br)c2nsnc2c1Sc1nnc2c3ccccc3nc(-c3ccccc3)n12 3770941 XVZKBGXLMBFKNH-UHFFFAOYSA-N 536.396 5.771 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(NC(=O)c2ccccc2)c(Br)c1 101823879 DXSFXJCMYRSQDQ-NTCAYCPXSA-N 532.350 6.522 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 106452868 VAVXZUQBBRJJHV-MIUGUJGPSA-N 601.681 5.371 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 111469740 FKGBYRKVIYDNQK-KUSDHMTMSA-N 621.671 5.421 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 150418853 YDGNUMAVICFUHZ-UPWSPCOFSA-N 739.557 5.577 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OCc6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)cc1OC 163274923 JPAMBFFPDNVBIL-AHDXEZHLSA-N 631.710 5.823 5 40 KKBB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1-c1cccnc1 224767941 GVPSKWCRTABNGG-URLMMPGGSA-N 564.696 6.812 5 40 KKBB CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1 408553233 MZVKKASFPOBTGL-UHFFFAOYSA-N 532.334 5.738 5 40 KKBB CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408553529 AEWSUODYDLQYGB-QHCPKHFHSA-N 641.827 6.731 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1F 408577798 ZXWFVMTXKMAWBG-HSZRJFAPSA-N 573.444 6.175 5 40 KKBB CCn1c(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCCCCC2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408631102 BYYDIEUXWPXZEV-LFVJCYFKSA-N 553.641 5.489 5 40 KKBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408638767 DJCXDLYKRFGJNB-NUBNRYSQSA-N 680.155 6.060 5 40 KKBB O=C(CCCCCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccc(Cl)cc1[N+](=O)[O-] 408666545 VCELPUYJQLIJMQ-ZHKRYAAZSA-N 627.908 6.445 5 40 KKBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408685688 QZWUTZPLJDDACV-UDPYREPESA-N 587.588 5.095 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729103 CXGPYZPWVAQLHI-UPWSPCOFSA-N 661.048 5.788 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408762924 COMXHETWGUEIQW-TVRVIFGSSA-N 833.657 6.053 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408943536 TUXXBBXVRVFZPR-YVBHXKDBSA-N 710.578 5.974 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409108539 VCRFKMAAZOKBIF-PZMHTZOMSA-N 753.881 7.154 5 40 KKBB CCOc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1ccccc1 409140129 QAKNWBIZVAABLH-PSXMRANNSA-N 599.687 7.934 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)ccc1Cl 409156618 LBRLNGDZZXPHJV-YDZHTSKRSA-N 618.451 6.794 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)o1 409160007 OZIPRVANDGBVFI-CIAFOILYSA-N 525.564 5.260 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O 409232748 PIMDRWKWAZFJMM-WPWMEQJKSA-N 550.571 5.421 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 409350409 YGEXIXOQSOMDNH-ZMOGYAJESA-N 562.560 6.094 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409375425 KMGYJGHWHGSROX-QFEZKATASA-N 638.496 5.566 5 40 KKBB C=C/C=C(\C=C)[C@H](CCN(C)CC(C)(C)OC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 936069038 YKEREWIYGUSPGG-KXVAQBEZSA-N 613.755 6.729 5 40 KKBB O=[N+]([O-])c1ccc(C2=C[C@@H]3CCCC[C@H]3C3=C2O[P@@](=O)(NS(=O)(=O)C(F)(F)F)Oc2c(-c4ccc([N+](=O)[O-])cc4)cc4c(c23)CCCC4)cc1 2237365269 UYPHZKYCFKLVHC-ULFFCWFNSA-N 731.642 8.620 5 40 KKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)c3)nc2c1 59294081 NSNDSBNCNLSIBM-UHFFFAOYSA-N 504.974 6.853 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc2ccccc2c1 100360824 BUSMPYDZPSFYAN-OGLMXYFKSA-N 540.597 6.962 5 40 KKBB O=c1c2cc([N+](=O)[O-])ccc2nc([C@@H](Cc2ccc(Cl)cc2)c2ccccc2)n1Cc1ccc(Cl)cc1 100362632 YTOYYUIZPRVFFD-VWLOTQADSA-N 530.411 7.034 5 40 KKBB O=C(Cn1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc21)Nc1ccc(F)cc1 100375641 UHEJJUUIQFFPEQ-ZMOGYAJESA-N 530.537 5.564 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)S2)cc1 100949629 CUSPOXFMPRSRHW-CBYYHRJHSA-N 540.439 6.098 5 40 KKBB O=C(Nc1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1[N+](=O)[O-] 101826153 FZZPEPIEWRVPCE-UHFFFAOYSA-N 510.673 5.935 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2ccc3c(c2)OCO3)=Nc2ccccc21 102437986 UZYUUHYFLCTZEH-GDLZYMKVSA-N 569.581 6.613 5 40 KKBB CC(C)CC(=O)N[C@H](Oc1ccc2oc(=O)sc2c1-c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 102619032 CYNHBZFRAGTGLJ-GOSISDBHSA-N 519.790 5.667 5 40 KKBB O=C(Oc1c(Cl)cc(N(C(=O)c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)c1ccccc1 102629039 UIOVWGXWAQSMAA-UHFFFAOYSA-N 571.394 6.157 5 40 KKBB O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 102958130 KQOQABCWZJKTIQ-UHFFFAOYSA-N 535.409 5.555 5 40 KKBB Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2ccccc2c1=O 103089565 FRMYYDOTYRZOHP-UHFFFAOYSA-N 548.930 6.005 5 40 KKBB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 104000162 HHMRITMBLAENFJ-NYDVOAGFSA-N 609.642 8.155 5 40 KKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccc(OCc3ccccc3)c2)cc1/C=C\c1cccc(OCc2ccccc2)c1 104108720 ZBBKRYQXGLTDAZ-YAFCTCPESA-N 584.628 9.002 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 150651340 BFQYIAZTBKSSGM-FHQMNNMHSA-N 737.585 5.663 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6Br)o5)c(=O)n42)c2ccccc2CC3)cc1 163246470 WELZJOWAHZVXCF-SJXDCSIJSA-N 640.515 6.258 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1 164540974 OEJADULQMMSENQ-JBVGNYNVSA-N 677.735 5.440 5 40 KKBB O=c1/c(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 164754320 VZESBXLLWJBNOF-DXUGRCAZSA-N 668.544 6.708 5 40 KKBB O=c1/c(=C\c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 164922412 RJFIEAMIFCHNQN-UDHMSBBDSA-N 644.734 5.419 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224898004 QKBKNYCBDXTPKQ-LJQANCHMSA-N 686.014 6.011 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225012347 LYSPRZGXRGQWHH-NDEPHWFRSA-N 610.574 6.289 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247360872 ZKUCCZHPJRVQSP-YCAMKHIRSA-N 533.462 5.012 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 260957177 GNMGXSXYXFBXFY-HHHXNRCGSA-N 649.597 5.531 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261055893 MVRMRERKIRECCR-FOPBOCKXSA-N 672.804 5.662 5 40 KKBB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1[N+](=O)[O-] 408671762 UPSPKAQPFMQFBA-UHFFFAOYSA-N 520.339 5.676 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733018 CYLBGUOFWDRMRY-LHJNOJRUSA-N 725.006 7.506 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408785339 WNHPCCKIDJRJES-KMCFWPMWSA-N 714.569 6.324 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408830819 SXPQTJMYFGMVJO-ZRELAVNMSA-N 682.858 5.925 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 408839701 VKAVEVQVVMVFRJ-QGOAFFKASA-N 504.907 6.027 5 40 KKBB O=C(O)c1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2Br)c1 408917222 PIHCUTZXRNTUQC-WSDLNYQXSA-N 569.389 5.871 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409091060 SQIRFLVFCCRFKO-KEBDBYFISA-N 558.772 5.696 5 40 KKBB O=C1N/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 409097503 MKDFPWORUGQLAY-RGVLZGJSSA-N 528.746 5.687 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O 409180705 URKAZROBTPNMBI-UHFFFAOYSA-N 504.804 5.425 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)o2)cc([N+](=O)[O-])c1C 409222100 AYGQUWUYTVXWAE-SSDVNMTOSA-N 541.379 6.153 5 40 KKBB COC(=O)c1ccc(-c2cc(-c3ccc(C(=O)OC)cc3)c3ccc4c(-c5ccc(C(=O)OC)cc5)cc(-c5ccc(C(=O)OC)cc5)c5ccc2c3c54)cc1 1875251939 KOSQJXUTAMHQII-UHFFFAOYSA-N 738.792 10.398 5 40 KKBB COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccc6c(c5)CCC6)cc([N+](=O)[O-])c4)cc3N2)cc1 1771771 OUUUSJGFYPPMBZ-AHKZPQOWSA-N 593.562 6.994 5 40 KKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc12 2092074 LWUBMMKZXDMQSS-MHZLTWQESA-N 557.624 5.067 5 40 KKBB biogenic O=C(Nc1nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2s1)c1ccc(-c2ccccc2)cc1 3179858 RENGZZHJIGUFIH-UHFFFAOYSA-N 515.572 5.957 5 40 KKBB CC(C)(C)c1ccc(N(CCCN2C(=O)c3cccc4cccc(c34)C2=O)C(=O)c2ccccc2[N+](=O)[O-])cc1 4256944 HFCYNSXEZRNFEC-UHFFFAOYSA-N 535.600 6.379 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(Br)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 8435178 NEGYDRVBLVYRCR-GMQJOBGYSA-N 741.594 7.563 5 40 KKBB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)CC1 21576657 IGTOAHFUBUELTD-UHFFFAOYSA-N 510.978 5.518 5 40 KKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(C2(c3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3)c3ccccc3-c3ccccc32)cc1 33355224 KFEJYHLCGSWZBN-UHFFFAOYSA-N 698.647 7.467 5 40 KKBB COc1ccc(NC(=O)CSc2nc3cc(OC)c(OC)cc3c3nc(-c4ccc([N+](=O)[O-])cc4)nn23)cc1Cl 101307973 SLRXJMYHEXPZPI-UHFFFAOYSA-N 581.010 5.263 5 40 KKBB Cc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 103537173 LFXOAIZPQLAAIT-GCZHVTBPSA-N 555.590 5.885 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5cc(I)ccc5Cl)nc4c3)cc2[N+](=O)[O-])CC1 105302640 XKVINIGDFFXPEK-UHFFFAOYSA-N 616.843 7.150 5 40 KKBB Cc1cc2ccccc2c2c1op(N([C@H](C)c1ccccc1)[C@H](C)c1ccccc1)oc1c(C)cc3ccccc3c12 139408527 OMAJFQDTQQIPJW-VSGBNLITSA-N 567.669 11.674 5 40 KKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150349550 MHPJVBXNJRHGKU-PXWYVTRHSA-N 718.717 9.699 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 150364898 GCDWSLBGMAWZLS-DXUGRCAZSA-N 762.025 7.073 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163685187 WOSPHTJXBWHUHM-HGGMLFSRSA-N 701.204 7.485 5 40 KKBB CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)cc1 215966933 MTBNXEKLIDOJEA-JOCHJYFZSA-N 562.044 5.037 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223841115 LUUYSABRLCZAJN-NIYFSFCBSA-N 588.488 5.844 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 260952042 FPHHRQAIIGBBLS-AREMUKBSSA-N 665.596 5.231 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408570043 YFJGEKLSQGOTNF-NLRIEGLYSA-N 572.843 5.212 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 408570053 YGBLYMLQUINLQJ-LBEGXTCUSA-N 516.356 5.280 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 408570696 LWTQGIQUYBWTPO-VWLOTQADSA-N 600.053 6.234 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1 408571543 OWVJLTZHFKAIDR-NRFANRHFSA-N 529.818 6.970 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c1 408571840 PRVUECSQGUOHLY-DEOSSOPVSA-N 540.001 6.135 5 40 KKBB O=C(O)c1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)o2)cc1 408775374 SMAGXHHTIKVZMA-HRIDGTDGSA-N 575.602 5.185 5 40 KKBB Cc1sc2nc(-c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6)cc5s4)c([N+](=O)[O-])c3)nc(O)c2c1C 408989088 GXCKEJIDNVYCJT-UHFFFAOYSA-N 585.692 7.602 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 409032015 BXNXIDDOBARRAZ-ZPMAPHDVSA-N 650.757 5.805 5 40 KKBB O=C1S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccccc1Cl 409051238 CCPJTNGQMPSEAS-JAIQZWGSSA-N 718.694 7.277 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC 409122156 ZXWIWACRGJMROA-JDKSNUEYSA-N 760.648 5.570 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409150833 DZXJSNHNXVPVGT-FSJBWODESA-N 605.522 6.619 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)ccc1Cl 409167500 IRPLSECUMYPWDF-LSHDLFTRSA-N 612.960 5.410 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)ccc1Cl 409170959 YJZJIKZZVWRLPK-GRSHGNNSSA-N 552.392 5.534 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409252499 SVCAWUFZLICIQP-ZVBGSRNCSA-N 652.401 6.037 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)c1 409269297 AVQKAZLAUCEOPR-GJKZIJEQSA-N 623.735 5.027 5 40 KKBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(Br)c1OCc1cccc2ccccc12 409342512 FLXOZRKIDOBOHD-KHPPLWFESA-N 538.354 5.860 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 1307713 YAVFPELZYVJJBL-ISKFKSNPSA-N 553.497 6.578 5 40 KKBB CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4N=C5/C(=C/c6cccc([N+](=O)[O-])c6)CCC[C@@H]5[C@@H]4c4cccc([N+](=O)[O-])c4)cc3n2)cc1 8455496 MBSGEDBJNZKSIR-HIVMTXQHSA-N 709.685 8.792 5 40 KKBB COc1cccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2c[nH]c3ccccc23)c1 9382500 INAUFHOHGHLZIP-UHFFFAOYSA-N 500.540 5.063 5 40 KKBB COc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 10058998 CGGNDXJKOYZCAB-YTEVENLXSA-N 510.528 5.919 5 40 KKBB CCc1ccc(Nc2nc(Nc3ccc(CC)cc3)nc(N[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 10059954 LECMPIRMLJDUEO-GOSISDBHSA-N 526.601 5.831 5 40 KKBB O=C(C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(CCC(c3ccc(Br)cc3)=NN2c2ccccc2)S1)c1ccccc1 97999616 KZVJKNUIEMUGGQ-PMERELPUSA-N 612.509 7.465 5 40 KKBB CCOc1ccccc1NC1=Nc2ccccc2N2C1=Nc1c(c(C)nn1-c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 102456815 ADSRPRKRIVMJMY-SSEXGKCCSA-N 569.625 7.283 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 102629016 GFQKZGVZKDSOEB-UHFFFAOYSA-N 557.924 5.449 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305905 AMZVEZSGOLDKEV-UHFFFAOYSA-N 533.635 5.694 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1Cl 106734084 UPHGYOAOQOAQLV-YVNNLAQVSA-N 577.815 6.965 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 150430067 RVQKMMACMOUOJV-SLDXWZKBSA-N 692.662 5.273 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1 214129847 ISNQLAFJBMIMPZ-SRZZPIQSSA-N 534.899 7.296 5 40 KKBB CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)nnc1-c1ccc(Br)cc1 216026581 SXVMYHIOVKQCQY-UHFFFAOYSA-N 526.210 5.373 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222732630 NITXRHOMFOKIRU-XIFFEERXSA-N 725.239 6.312 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223109187 QSSGYRBUODAEJQ-WJOKGBTCSA-N 679.195 5.537 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224306719 GLWBOZYVAVIQTB-XIFFEERXSA-N 676.767 5.413 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 224513345 FPTRKUTUUSPBMI-DNQXCXABSA-N 551.422 6.198 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224690769 GZGSNRHSUJHZSP-DEOSSOPVSA-N 671.216 5.935 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 224750184 SXMLNXLPFAWDGH-XZWHSSHBSA-N 563.639 6.759 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C 225169476 FGDBTBYWWQBDHC-SVBPBHIXSA-N 527.606 6.084 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 260978969 KNNARXUBBREXHZ-UUWRZZSWSA-N 670.788 5.498 5 40 KKBB CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)/C=C/C=C(C)/C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C 299888679 SZCBXWMUOPQSOX-GXNNKFMUSA-N 600.884 8.970 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1cccc(F)c1 408566381 FNKUHYRQGXDRIQ-SANMLTNESA-N 522.602 6.111 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 408573077 SKIQGGDNTZGAFE-XUCOSSOOSA-N 542.817 5.250 5 40 KKBB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408607388 KLLXWMQAQJHKBS-UHFFFAOYSA-N 579.303 5.609 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408686568 RXCJBGBNKAJNLW-UHFFFAOYSA-N 581.195 6.053 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 408779449 WXOZRPYSTMFNIH-QQMBNGEASA-N 837.490 6.737 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408831659 UUXREUDYUJNUIH-DKOMQPSQSA-N 895.819 6.691 5 40 KKBB Cc1sc2nc(-c3ccc(Sc4nc5ccc(NC(=O)c6ccccc6Cl)cc5s4)c([N+](=O)[O-])c3)nc(O)c2c1C 408990290 KHSBIOIIOMFRDH-UHFFFAOYSA-N 620.137 8.256 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409026579 SMURUTSXUJXLIN-UHFFFAOYSA-N 589.714 6.214 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(C)cc5[N+](=O)[O-])C(=O)[C@H]34)c(=O)n2[C@H]1c1cccc2ccccc12 409050560 WYKSLJBZRRCEFU-NLPOYATNSA-N 786.866 6.371 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CCCc1ccccc1 409134209 OBUSONWZMSMVPL-HZHRSRAPSA-N 632.330 7.368 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(Cl)c(Br)c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409144404 OSKSNQDJJJKFDY-FQEVSTJZSA-N 595.907 5.480 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 409151453 BLKMFZUAWJJSAP-SSDVNMTOSA-N 636.402 7.152 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl 409167248 HVPCOXQWYYPVNB-VULFUBBASA-N 640.070 6.078 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 409178850 NRMHHBQYVDQDDE-GDLZYMKVSA-N 557.389 7.898 5 40 KKBB CCC(C)(C)c1ccc(OCCCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c(C(C)(C)CC)c1 409181101 WKWSCLMEXYERFJ-JGCGQSQUSA-N 559.703 8.296 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409270988 JCYCSDJKXJUXEY-LSFURLLWSA-N 701.176 7.925 5 40 KKBB CCOc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409391511 IISFSTFYBGEDIR-CFRMEGHHSA-N 627.460 5.564 5 40 KKBB CCCSc1nc2sc3c(c2c2nnc(SCc4ccc([N+](=O)[O-])cc4)n12)CC(C)(C)OC3 1852238 CEDDBJZQXMUOKR-UHFFFAOYSA-N 501.659 5.893 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3c(-c4ccccc4)nn(-c4ccccc4)c3C)cc([N+](=O)[O-])c2)cc1 3142667 VPMJUAGRICJEAB-UHFFFAOYSA-N 534.572 7.199 5 40 KKBB CC(CCC(=O)O)(c1ccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4721795 JOBJOQOHDXIKBU-UHFFFAOYSA-N 614.567 6.896 5 40 KKBB Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NC(=S)Nc2cccc(C(F)(F)F)c2)C1 8623929 BGDNAUNMXHLBPW-VQIMIIECSA-N 501.534 5.815 5 40 KKBB biogenic,in-vitro CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@]2(S1)c1ccccc1C(CC)=NN2c1ccccc1 9011966 YYCAFJKPHLQRLU-SANMLTNESA-N 501.568 5.469 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 14278532 XUYXEAKBQLJMOK-UHFFFAOYSA-N 510.554 5.996 5 40 KKBB CC[C@H](C(=O)Oc1c(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)nn1-c1ccccc1)c1ccccc1 17269296 XWWXMHBPFCHTKL-QHCPKHFHSA-N 505.552 5.021 5 40 KKBB CCOC(=O)C(CCCCCCCCCCOc1ccc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)OCC 59663778 FCNSIMRHQCGLFV-UHFFFAOYSA-N 619.755 8.473 5 40 KKBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)NC(=S)N1 97981663 CTPGXZZVPNWSDZ-RUZDIDTESA-N 545.024 5.532 5 40 KKBB C[C@@H]1C[C@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 98050195 IIIBMFAXUHDFLR-PIKZIKFNSA-N 596.108 8.219 5 40 KKBB O=c1c2cc([N+](=O)[O-])ccc2nc([C@H](Cc2ccc(Br)cc2)c2ccccc2)n1Cc1ccc(Br)cc1 100362615 SCRVHXGXXVIWRE-RUZDIDTESA-N 619.313 7.253 5 40 KKBB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 100926705 ACTTVKYFPXTCSY-XLHSGLJYSA-N 526.976 5.964 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 102754672 WVLGEHNEHBKCGS-SDHSZQHLSA-N 550.354 6.213 5 40 KKBB CCOc1ccccc1C(=O)[C@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103526427 CBXSBQLRTDYRMY-GYEXEWKGSA-N 585.616 5.975 5 40 KKBB O=Cc1ccc(N2O[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 104212523 WTRKPWYNCDOLJM-KCHLEUMXSA-N 540.488 6.242 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccccc1Br 106731030 PVJZFDFWVRRSPI-CFRMEGHHSA-N 548.418 6.597 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1 214146914 HELABXDPBZWICP-SRZZPIQSSA-N 511.899 6.185 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224623007 IAUWCULLUMTVEM-NDEPHWFRSA-N 671.216 5.669 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(Cl)s3)cc2)cc1 224761299 NLPICLHTDTZWOA-DHIUTWEWSA-N 525.080 7.033 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224811843 KZVGMBKMHNFDAY-JOCHJYFZSA-N 526.486 5.714 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224991717 LHLBOOXLXGEWTR-FCHUYYIVSA-N 631.151 5.093 5 40 KKBB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)(C)C 225113292 XSIZIDYDNVCYID-SXOMAYOGSA-N 571.659 6.420 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 225577580 IWTBOGOJRQFRGA-SVBPBHIXSA-N 526.622 5.090 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260915971 ZHUJMPYIUKZPNU-UUWRZZSWSA-N 672.804 5.580 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408565169 IKPQXBKVAKGTJZ-PRWUDMTRSA-N 528.392 5.149 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 408576586 XTGCFKXYPHVNTM-XMMPIXPASA-N 528.993 6.066 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408755839 POPUADYJMHPVER-LHOSBTIMSA-N 707.761 5.449 5 40 KKBB O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 408784585 VIWKFMABJAGBJV-QTTRZTASSA-N 537.622 5.548 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408791228 XNOKROWGZBKGOG-JOHYPREOSA-N 665.699 5.571 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 408824903 BFVQKCNLOWVUFL-OINPTKSXSA-N 625.634 5.252 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(Br)cc1 408919233 VAXIYAZXYWZEGE-YDZHTSKRSA-N 695.329 7.176 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408920702 KPNQZWBCTPJWLI-FIXXDFOUSA-N 731.625 5.798 5 40 KKBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409121176 WVJSYCIFSJXHLV-DTQASYIRSA-N 600.241 5.297 5 40 KKBB COc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 409148095 OMUBCBYHBWUMSX-DHUJRADRSA-N 699.001 8.960 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O 409178522 KQCIHIZXJYQXFV-SANMLTNESA-N 540.915 5.830 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409180742 UZUXACRWZNPHKK-SANMLTNESA-N 543.444 5.985 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(F)cc1F 409275288 TWQWLPCIBAHEJM-DJKKODMXSA-N 564.320 5.571 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3cccs3)N4)cc([N+](=O)[O-])c2)cc1 1838691 NMLODEOFSUUBKS-NFBKMPQASA-N 573.553 6.956 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1Cl 8383944 CNQBNUZONADGHI-YDZHTSKRSA-N 603.878 7.225 5 40 KKBB C[C@H]1CC[C@]2(OC1)O[C@@H]1[C@@H](CC[C@@H]3[C@@H]1C=C[C@H]1C[C@@H](OC(=O)c4ccc([N+](=O)[O-])cc4)CC[C@@]13C)[C@H]2C 8738831 ULNDHEVVJSRKCY-QLUJEBIRSA-N 509.643 6.317 5 40 KKBB COCCOC(=O)c1c(C)n(CCCNc2ccc([N+](=O)[O-])cc2Cl)c2c1cc(O)c1ccccc12 8783316 GUBBLKJZZMDZHA-UHFFFAOYSA-N 511.962 5.676 5 40 KKBB biogenic,in-vitro Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)oc2c1 8835289 MRBQEFMCMNIAJQ-UHFFFAOYSA-N 515.595 5.829 5 40 KKBB O=C(NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22837129 WICJCNQDRJPZIE-UHFFFAOYSA-N 512.975 5.004 5 40 KKBB CCC1=NN(c2ccccc2)[C@@]2(SC(C(=O)c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)c2ccccc21 97951892 PGNGVMNBMGTXFJ-PMERELPUSA-N 533.613 6.789 5 40 KKBB O=c1c(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCCCC2)cc2cccc3c2n1CCC3 101409778 OMIZULXNPKBAKO-UHFFFAOYSA-N 534.616 6.955 5 40 KKBB C[C@H](OC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 102975123 GJHRPFWEXAZYED-LBPRGKRZSA-N 589.907 5.391 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n31)c1ccccc1CC2 104654901 ONLCKFFXOLQGGU-NBQDTTAVSA-N 575.646 5.804 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1Br 214968229 CQHKVYNFHOFWOJ-VXLYETTFSA-N 519.760 6.507 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223473256 NRCXINRKIHJCNZ-JGCGQSQUSA-N 662.740 5.022 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223770184 FQCRAUREHADYQE-RXFWQSSRSA-N 552.469 5.455 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224328900 PZMYNQALAQLPRU-HKBQPEDESA-N 663.196 5.998 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc2ccccc12 225712271 HONBESXZGOZXLZ-IHLOFXLRSA-N 563.639 6.404 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3F)c(Cl)c1)[C@@H]1CCCN12 408570114 ZDRAXMIFDRZPFH-UQBYDPJISA-N 507.949 5.113 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)o1 408757995 TZTCOPMJOXYUPX-SJXDCSIJSA-N 624.516 6.558 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408830216 OSAPQAJRNROPQC-PRLWALMFSA-N 713.006 6.100 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)c1ccc(C)cc1 408846785 RHPPQPFRLCRIOZ-UDWIEESQSA-N 562.987 6.734 5 40 KKBB O=C1[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 408918797 PEEWLCDVGBLVBG-YQORSWRPSA-N 554.194 5.261 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(Cl)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408938152 HGAOSYDDINILEU-ILLSWNIOSA-N 729.005 5.719 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 408988500 QZORPWIRNZZGDM-FABFSAKGSA-N 869.475 6.632 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 409043212 YFONZOTXTARYKT-PYCBVSLESA-N 613.692 5.073 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409113979 HXRGPCPGQJBVSV-KMBIYUNPSA-N 655.958 5.688 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1 409188764 GEYBIXZJDIWUHT-SPLCHINYSA-N 773.655 7.226 5 40 KKBB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 409246442 ILNBPHYPIPWVML-LPYMAVHISA-N 522.355 5.338 5 40 KKBB CCc1ccc(S(=O)(=O)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccc3oc(C)c(C(C)=O)c3c2)cc1 8765790 KPAZJBOLHWHZHL-UHFFFAOYSA-N 506.536 5.450 5 40 KKBB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2[C@@H](c3ccc(OCc4ccccc4)cc3)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 33354937 ULSJQNUCQKMQSN-PTPHKNRPSA-N 721.748 5.878 5 40 KKBB Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3O)nc2c1 59331509 SSEQQCAGJXWQAK-UHFFFAOYSA-N 517.567 5.144 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Br)cc3)CCC[C@H]2[C@H]1c1ccc(Br)cc1 96022816 ZDNBRCBWQVHZMF-ZFEPTCRASA-N 629.736 8.210 5 40 KKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 100343783 UMMVOHFYVHREMC-NHDPSOOVSA-N 551.860 7.943 5 40 KKBB Cc1oc(-c2ccccc2)nc1CN(Cc1nc(-c2ccccc2)oc1C)[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 102787226 VZWYOBMIHGPVQT-WDYNHAJCSA-N 554.603 5.618 5 40 KKBB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2)NC(=O)c1cccc([N+](=O)[O-])c1 103083440 KIGZFOACEYQRLO-ICFOKQHNSA-N 527.558 5.195 5 40 KKBB O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(I)cc1 106737173 PORRNNJNLHBYPU-UNOMPAQXSA-N 531.331 5.227 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1 150485928 JOFLGGLLILCINF-KRXBUXKQSA-N 624.616 7.075 5 40 KKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)o1 163213156 XBHFEUVZNMCXKU-UAMLYEQYSA-N 640.515 6.258 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 163465942 MWIDBXHXHLKOFF-OIUASMPBSA-N 783.539 7.714 5 40 KKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(Cl)cc1Cl 214386194 YEUCDNREYCKXCM-DJKKODMXSA-N 509.754 7.052 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224217536 QOPKWTGOQOSRGB-SSEXGKCCSA-N 636.771 5.282 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224431487 HEKBVCQUUPETQM-MGBGTMOVSA-N 737.673 6.036 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225402901 MZPBYBVMHDVLAY-DHUJRADRSA-N 751.277 6.989 5 40 KKBB CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229867262 RPAXCEFFCPZUKA-CSSWAUQYSA-N 597.671 6.794 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261110346 XQSRSIOWOVRHBY-SYBRLPANSA-N 642.778 5.653 5 40 KKBB COc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 408530967 SYPFZGJMNQOQET-UUWRZZSWSA-N 634.714 7.078 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 408570889 MEPMLQOHQKNNCM-RUZDIDTESA-N 525.030 6.235 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)cc2)c1 408639169 VSHBGPXJXBHCRP-OAQYLSRUSA-N 516.550 5.598 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408736049 CDMYYDZHEOUIQX-HZHHUVPKSA-N 641.746 5.808 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccccc1OCC 408739071 SNGOBLJROZADSH-RISWYLRJSA-N 594.045 5.019 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1 408778367 SGDJQTBSZZOOST-SCRHHBKZSA-N 617.465 5.949 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408859963 WFXWDOMARAHEQT-FJNIOPPGSA-N 674.688 5.203 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409032079 ITPQGVUFLBXKLQ-XSTKMXAKSA-N 757.059 6.497 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409090458 QTKIJFLJWQBISW-MJASDKGPSA-N 650.757 6.050 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 409108688 YOEPHNUJHFBPBH-CIAFOILYSA-N 527.942 5.582 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 409177574 CFFYZLZQWLPDOM-ZMOGYAJESA-N 578.559 5.541 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409179471 OULLYEIJDLSMNY-UHFFFAOYSA-N 659.142 5.508 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409183049 QNMNJVKFOYLMHU-SANMLTNESA-N 546.513 5.117 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 409334540 STVIQBADPOZYRD-MHZLTWQESA-N 547.633 6.300 5 40 KKBB Cc1ccc(NC(=O)CSc2nnc(CNc3ccccc3Cl)n2-c2ccccc2)cc1[N+](=O)[O-] 877649 ZEFGZOAGXMBFBH-UHFFFAOYSA-N 508.991 5.480 5 40 KKBB CCCCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)N(C(C)=O)c1ccccc1-2 2094458 AOIQEUPIBKKLNR-RUZDIDTESA-N 552.012 6.697 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1 2248362 MQCYLVRRGGEEJH-LAUBZIAYSA-N 534.637 5.113 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2249656 CICWSWNQSSNWOD-UHFFFAOYSA-N 509.953 5.082 5 40 KKBB CC(=O)Oc1c2c(c(OC(C)=O)c3c1n(C(C)=O)c1ccccc1n3C(C)=O)n(C(C)=O)c1ccccc1n2C(C)=O 5812247 BLKQWSCKWOPBKU-UHFFFAOYSA-N 570.558 5.121 5 40 KKBB CCCCCCSc1nnc2c(n1)O[C@@H](c1cc(OC)cc([N+](=O)[O-])c1OC(C)=O)N(C(C)=O)c1ccccc1-2 8453140 LPCXXPLNOWXHNG-SANMLTNESA-N 567.624 5.497 5 40 KKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl 29503410 ADFWDYKBRHCOKS-NHDPSOOVSA-N 535.405 7.428 5 40 KKBB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1[N+](=O)[O-] 32114770 KYTMRAHKOAZDOL-UHFFFAOYSA-N 502.886 5.770 5 40 KKBB O=[N+]([O-])c1cnn(Cn2nc(-c3cccc(Br)c3)c(Cl)c2-c2cccc(Br)c2)c1 97945847 MMJHKGYHCMFNJC-UHFFFAOYSA-N 537.599 6.006 5 40 KKBB C[C@@H]1N(C)c2cc3c(cc2C1(C)C)[P@](=Nc1cccc([N+](=O)[O-])c1)(N1CCOCC1)OC(c1ccco1)=N3 97984747 NTPKTTLMGLANLN-OBICXDTRSA-N 535.541 5.733 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 100054193 SQOPFQQLRVUPGT-KTYQWQPMSA-N 511.941 5.705 5 40 KKBB O=C1C(Nc2ccc(Br)cc2)=C[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Br)cc1 100891880 AEWVWCKJBQGDSO-OAQYLSRUSA-N 529.188 6.204 5 40 KKBB O=C(Nc1cc(Cl)ccc1Cl)C12C[C@@H]3C[C@@H](C1)CC(n1nc([N+](=O)[O-])nc1Br)(C3)C2 102831732 IISICRPYKUYXCF-IAPJOXICSA-N 515.195 5.190 5 40 KKBB COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103520136 AWALKTLCXQTGLT-GGVMLGSCSA-N 571.589 5.585 5 40 KKBB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 104000156 HHMRITMBLAENFJ-HHSTVXIYSA-N 609.642 8.155 5 40 KKBB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 105303679 MEQCOIVNTBZOCC-RMKNXTFCSA-N 616.527 5.235 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 105306369 FTPIGRPBAXRQMK-UHFFFAOYSA-N 545.621 5.292 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105312252 BVPYYNNSFGJJLM-UHFFFAOYSA-N 535.029 5.909 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 105500040 GTGSBQHQDINRNB-MXLMUYMQSA-N 623.687 5.745 5 40 KKBB O=C(NCc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(F)cc2)n1-c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 150387775 PVCMXHHQDDEWEC-AREMUKBSSA-N 659.700 5.915 5 40 KKBB O=c1/c(=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 150931976 OCRQUHQUBFAZEY-IVQFASICSA-N 729.450 7.331 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225319355 SBQLQYQFJOTMCT-XIFFEERXSA-N 642.778 5.655 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)c(Br)cc1OC 408570267 KPSLVAQSLFPWIQ-OAQYLSRUSA-N 521.437 5.472 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccs1 408643025 OJQIPDFMMLRYGZ-RZVAPFGTSA-N 658.130 5.343 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408648221 JUOOFISPECWDOC-DZUWIXTPSA-N 677.669 5.946 5 40 KKBB CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408672130 ZOXKDTLZELVDKG-GNBTXOOPSA-N 579.436 5.256 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408846854 LFZAMPZVYVPXEP-TUVDJZKNSA-N 724.839 7.618 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n21 408953067 ONEHONHAZRWNOX-KVDRYIPSSA-N 707.386 6.433 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 409000693 ZOEMBZOKWULMDN-QARYAGPDSA-N 622.497 5.346 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409038580 PLIPDODQMYPHCZ-OKMHPQNISA-N 722.614 5.844 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409100697 WDKBXBGPNZICME-BYRCOYNWSA-N 773.915 8.298 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409218034 GVJYGFIWZRRQCA-SRZZPIQSSA-N 570.377 5.472 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409221638 UCILFEHLHNOHAQ-OEAKJJBVSA-N 579.407 5.030 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc2ccccc12 409268095 ZLOLUPSULOJQQR-LQKURTRISA-N 647.503 7.407 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409275318 ZZHGBELMZKSAPF-GATIEOLUSA-N 549.967 6.310 5 40 KKBB Cn1nc(C(F)(F)F)c(COc2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1Oc1ccc(Cl)cc1Cl 3049204 MHBGYBDLMIJGDF-UHFFFAOYSA-N 531.101 7.332 5 40 KKBB COc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)cc1 3220207 MEORJCVGKVZBCG-UHFFFAOYSA-N 548.930 7.395 5 40 KKBB Cc1c(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 3305368 LHASBQZYKNCSLF-UHFFFAOYSA-N 551.567 7.969 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 3671691 XGXGOMSTKGDEBK-UHFFFAOYSA-N 530.377 6.694 5 40 KKBB CCOc1ccc(NC(=O)CSc2nc3ccc(Br)cc3c3nc4ccccc4n23)cc1 9473230 XIJUZUZCLDNXKZ-UHFFFAOYSA-N 507.413 5.928 5 40 KKBB COc1c(C)cccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@H](C)C34CC5CC(CC(C5)C3)C4)c2)CC1 9934608 CKYWOUQKWSDISI-DJVZTSSTSA-N 532.685 5.891 5 40 KKBB COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 12652836 LHPMEATXQKKTOP-XDJHFCHBSA-N 509.518 5.434 5 40 KKBB CC1=C[C@@H](O)CC(C)(C)[C@@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C 14879955 KBPHJBAIARWVSC-JUUKCSAQSA-N 568.886 10.403 5 40 KKBB O=C(c1ccccc1)c1ccc(SCCCCCCSc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 100985205 IWAPTICZVRHUAN-UHFFFAOYSA-N 600.718 8.410 5 40 KKBB CC[C@H](Sc1nc2cc(OC)c(OC)cc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)C(=O)NC1CCCCC1 101307937 MGYLPVPNZDACRS-QHCPKHFHSA-N 550.641 5.190 5 40 KKBB COc1ccc(-c2nc3oc4ccc(Br)cc4c(=O)c3c(=O)n2CCc2ccc(OC)c(OC)c2)cc1 102581404 BQQYHGGFLNLBMY-UHFFFAOYSA-N 563.404 5.201 5 40 KKBB O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 104659446 BHHOCPQCAXWUOY-MRWVFDTMSA-N 602.628 5.927 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 106703286 GFRKJCMKHPKIGI-JJFYIABZSA-N 593.377 7.713 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 111470269 ARYRYHJCGVNIHJ-PLNPHXOGSA-N 619.699 6.227 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 150389783 QMSAYNFWRFYFKP-MFCBUNOESA-N 636.524 5.852 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OCc1ccccc1F 163771452 ZUCIQLUGMPKICD-XDYZZPCYSA-N 698.570 6.716 5 40 KKBB COc1ccc(N(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 216006799 RIDVYHFSDSBFMG-UHFFFAOYSA-N 615.708 6.274 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223457569 QMULVACHXRARNS-SANMLTNESA-N 635.570 5.819 5 40 KKBB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224790067 RNYSBKYCYQMKKJ-LOSJGSFVSA-N 501.637 6.140 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225377150 XHVNQWMNUPJJPP-SANMLTNESA-N 661.177 5.103 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225509935 KVDQLCMNQGEFDH-DHUJRADRSA-N 802.177 8.156 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1 408565490 CBLRNRBINOCPOF-XMMPIXPASA-N 543.020 6.374 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408642307 MUFKOVWELAYNKZ-PDNQGOMLSA-N 806.653 7.154 5 40 KKBB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5C6c7ccccc7C(c7ccccc76)[C@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] 408674048 YFXJTVOJLGQZAY-FSGKEUEHSA-N 613.626 5.258 5 40 KKBB Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1[N+](=O)[O-] 408691424 ZUZLRKPVLXJCEZ-ZDUSSCGKSA-N 591.231 5.709 5 40 KKBB O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1)c1ccc(Br)cc1 408710510 YLOBRCDVTXVLOZ-UHFFFAOYSA-N 524.356 5.380 5 40 KKBB O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408777644 DWEFDQYFOZRUGR-QQMBNGEASA-N 637.073 6.581 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccccc1 408806868 BKSCHNQRMMVBED-NDENLUEZSA-N 590.249 6.940 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409036886 RVCYKZLERLPYNW-ITNPZBTBSA-N 692.588 5.837 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409058155 RTFBVAGQEJPOJX-QRVIBDJDSA-N 616.433 6.332 5 40 KKBB CCOC(=O)c1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)oc(-c2ccccc2)c1-c1ccccc1 409109548 HBWFBCRFRXBMLQ-UHFFFAOYSA-N 506.536 5.808 5 40 KKBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 409177327 DPLJZFRDGPTNMO-UHFFFAOYSA-N 501.516 5.134 5 40 KKBB COc1ccccc1N1C(=O)c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O 409182353 KGGAOTWDHQTVCJ-HHHXNRCGSA-N 536.496 5.185 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409259045 ZBAQNKHSCSSDMZ-CVKSISIWSA-N 652.523 5.956 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(F)c1F 409270878 BGFFLJYRIGZILH-DJKKODMXSA-N 574.449 5.388 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409274484 DNJVJNGBAOHMEK-WYMPLXKRSA-N 594.514 5.521 5 40 KKBB O=C(c1cc2cc(Br)cc(Br)c2oc1=O)N1CCS[C@@H]1c1cccc([N+](=O)[O-])c1 845466 XELFBIPQBJWEPL-GOSISDBHSA-N 540.189 5.114 5 40 KKBB CCc1nc2c(c(=O)n1-c1sc3c(c1C(=O)OC)CCCC3)c1nc3ccccc3nc1n2-c1cccc(OC)c1 1872640 JIDJLXBVVGCLCT-UHFFFAOYSA-N 565.655 5.571 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1 8817188 VFZVMUCGIXNKEJ-UHFFFAOYSA-N 501.731 5.575 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 11852762 QLPHPAQZUOWKPF-UHFFFAOYSA-N 522.535 5.170 5 40 KKBB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1 22822458 MWTRQXCJFWZZEG-UHFFFAOYSA-N 500.555 5.789 5 40 KKBB Cc1cc2nc3s/c(=C/c4cccc(Oc5ccc(C(F)(F)F)cc5[N+](=O)[O-])c4)c(=O)n3c2cc1C 59596791 YOMVEOMQIYXFRW-SSDVNMTOSA-N 511.481 5.793 5 40 KKBB COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)c1 70708441 ZRJIYMDAZVLMJE-INIZCTEOSA-N 553.571 5.032 5 40 KKBB biogenic O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1[N+](=O)[O-] 100368239 KKGYJSDQGMGVNB-UHFFFAOYSA-N 617.687 5.625 5 40 KKBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1ncc(Cc2ccccc2Cl)s1 100924847 PASPVAVMSKLZOI-UHFFFAOYSA-N 563.064 6.274 5 40 KKBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1[N+](=O)[O-] 100966810 XXJAVXKVGVYFHR-ZSAJNUMDSA-N 616.673 7.092 5 40 KKBB O=c1c2ccc(C3=NN(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)C3)c3cccc(c32)c2nc3ccccc3n12 104576728 IDGSLORIWPYLHU-PMERELPUSA-N 535.563 6.856 5 40 KKBB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 105307880 MPSGWBFGFPJINT-UHFFFAOYSA-N 550.040 6.346 5 40 KKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150349547 MHPJVBXNJRHGKU-MXLIJDCISA-N 718.717 9.699 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 150401136 YWBAETQJFHDQIL-KFOJKGMOSA-N 806.476 7.182 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCCCC1 150470789 GHYSLAMXIVHQPL-NDENLUEZSA-N 639.322 5.748 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223383530 LTYLRRISWBPPPC-RUZDIDTESA-N 679.623 6.136 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224796080 OOZBINUOMMYQHY-FQEVSTJZSA-N 651.569 5.357 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225585208 LYBMMGQUMXEGCU-SANMLTNESA-N 588.488 5.845 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@H]([N+](=O)[O-])[C@H]2C=Cc3ccccc3N12 230038043 BVJVHLGHIWYVMX-LWSSLDFYSA-N 509.787 5.999 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260944348 JDEIJDPIIFIPOY-HXUWFJFHSA-N 665.596 5.746 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408566306 NLKAPGKJLVSADI-KLPDMWAPSA-N 647.353 6.788 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl 408575603 WRBXPWGCZCZREO-RUZDIDTESA-N 573.502 7.197 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)c([N+](=O)[O-])c1 408577031 ZKOVLGHHPDZYJR-UHFFFAOYSA-N 518.353 5.301 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408679287 DRFJLEAZFJEVJL-SNINSWTHSA-N 658.536 6.252 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1 408686258 RFLIQLOSWSMONU-QKCPIRFBSA-N 686.546 5.935 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1Cl 408827210 KMBRKOICXRWWJQ-MFCBUNOESA-N 624.502 5.592 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 408865089 APHAVVHENWHOIO-NHDPSOOVSA-N 577.493 5.566 5 40 KKBB O=c1/c(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)sc2nc3ccccc3n12 408903367 RRILZHODYUSXRM-JAIQZWGSSA-N 681.249 5.153 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2c(Cl)cccc2Cl)cc1 409005351 HWHLPWKVGPQCBA-UHFFFAOYSA-N 508.383 5.040 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c2=O)=N1 409031600 HKXVRMKKKWCDAF-KMBIYUNPSA-N 652.498 5.187 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409042427 KTJPJXDRLQIUMU-PNQAETMRSA-N 673.744 5.090 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4cccc5ccccc45)cc3Br)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 409077423 FQIWZMZUAZAJBV-DBHVVYFFSA-N 714.594 6.210 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409080632 FLLUQUDOOHQJER-FHQMNNMHSA-N 694.560 5.065 5 40 KKBB Cc1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1Cl 409117610 OFRRQIHHIQKTFT-UHFFFAOYSA-N 540.639 7.273 5 40 KKBB CCOc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1OC 409125745 KBZYKYWCTNMNNJ-SSEXGKCCSA-N 523.589 6.364 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409271920 FEAZZLFPGZLYDC-LSHDLFTRSA-N 598.977 5.941 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409273474 RAKWTSCKZXPBFM-AFUMVMLFSA-N 552.992 6.145 5 40 KKBB Cc1ccc(Nc2nc(COC(=O)[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)C(C)C)cs2)cc1 3440910 YGZIYXQMBDHMOS-FQEVSTJZSA-N 502.980 5.255 5 40 KKBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1 8816620 VULILEPIZQUVRS-ODAWRTACSA-N 518.658 5.583 5 40 KKBB COc1cccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccn2)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 53319431 AHHQFPRHVQDPTB-NDEPHWFRSA-N 556.586 6.288 5 40 KKBB COc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]3c2ccc(OC)cc2)cc1 97979957 CDKATGCAQCFDAJ-RESVECLGSA-N 590.032 6.245 5 40 KKBB CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OCC)cc2)cc1 97983548 DMGUHELCQUBQIA-QCJKNSBPSA-N 551.643 7.229 5 40 KKBB O=c1c2ccc3c(=O)n(C(c4ccccc4)c4ccccc4)c(=O)c4ccc(c(=O)n1C(c1ccccc1)c1ccccc1)c2c34 100286025 GTKAMUHWWUFCJH-UHFFFAOYSA-N 598.658 6.341 5 40 KKBB Cc1cc(NC(=S)NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 100301660 MMNATOCFPYZZME-YRNVUSSQSA-N 534.981 6.082 5 40 KKBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc12 103093421 UQLGJKPUKUIIBU-UHFFFAOYSA-N 523.448 5.216 5 40 KKBB COc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n2-c2ccccc2F)cc1 103132368 OMTLUCCENCXKTL-MRXNPFEDSA-N 523.546 5.022 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 150444051 UWVJEFDVJMEXNK-UUYOSTAYSA-N 618.303 7.244 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222590063 PYUNBZKYIRNQGW-MHZLTWQESA-N 554.112 5.894 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223337564 ATFKWGWLDGHKFQ-JGCGQSQUSA-N 679.195 5.537 5 40 KKBB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)s1 224761103 HWRWYWIVDLYUDT-ZEQRLZLVSA-N 504.662 6.688 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3Cc3cccnc3)cc2)cc1 224767587 ZDROJWUGFQZLJY-FQLXRVMXSA-N 564.696 6.563 5 40 KKBB COC(=O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 224793576 LNKMRMBBAWCETI-XZWHSSHBSA-N 608.701 7.365 5 40 KKBB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C(C)(C)C 225111019 BGRZFPYJLQOYOB-SXOMAYOGSA-N 570.675 5.951 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225280851 BGQXTNNPWSVTJJ-GDLZYMKVSA-N 661.608 6.353 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 260901015 IBNRAPKFKNNTEG-PGUFJCEWSA-N 668.816 6.188 5 40 KKBB COc1ccc(-c2ccc(/C=C(\Sc3nnc(-c4cc(Cl)ccc4OC)o3)C(=O)O)o2)c([N+](=O)[O-])c1 408634746 XFACVMXEDBQXJU-JAIQZWGSSA-N 529.914 5.793 5 40 KKBB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)c1 408680023 FVANEWMIJFTLJM-UOIPHLHCSA-N 682.127 5.290 5 40 KKBB Cc1cc(Br)c(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccccc2C)C3=O)cc1C 408996221 OWKZOXIPXSOSGW-UHFFFAOYSA-N 530.378 6.980 5 40 KKBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12)C(c1ccccc1)c1ccccc1 409000800 GAOZRDADYQENHF-PMERELPUSA-N 569.617 6.992 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)cc1 409034843 IGHSQIZAIDVXGB-VEPRTGNQSA-N 724.839 7.618 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)ccc1Cl 409170904 XBZLEBHMYRSBPC-FSJBWODESA-N 581.990 5.289 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409173125 KHVXFTSCQCSYNQ-RGVLZGJSSA-N 605.772 5.538 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] 409180163 WTKAVDSULRCKOO-UHFFFAOYSA-N 536.949 7.457 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(I)cc1 409331272 NMATYCBTWVWDRC-VXLYETTFSA-N 609.785 5.788 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(Oc3ccccc3)cc2)cc1 409410221 LMWHSGRSTZZIAS-UHFFFAOYSA-N 517.563 5.530 5 40 KKBB CCOC(=O)c1cn(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c2c(F)c(N3CCCC3)c(F)cc2c1=O 2049994 PLAAPUBLTJRCCW-UHFFFAOYSA-N 526.521 5.078 5 40 KKBB COc1ccc(-n2c(CNc3ccccc3Cl)nnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 6157271 PHKMRDPODROTGL-UHFFFAOYSA-N 524.990 5.180 5 40 KKBB COc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c([N+](=O)[O-])c1 6164024 UJIVCWIHDSLBMT-IBGZPJMESA-N 593.203 5.020 5 40 KKBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1)Nc1c(Cl)cccc1Cl 9971608 BTMSORIMYSBVHY-UHFFFAOYSA-N 514.394 5.939 5 40 KKBB O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1OCc1ccccc1 59417118 FQJRSVRAMIOEPI-UHFFFAOYSA-N 514.378 6.229 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(Br)cc3)N4)cc([N+](=O)[O-])c2)cc1 97949102 PHBMBQWMQCLGQQ-NOZRDPDXSA-N 646.420 7.657 5 40 KKBB CCOC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(C=CC(c3ccc(CC)cc3)=NN2c2ccccc2)S1 97951198 ASBROZSMOZBREZ-MUUNZHRXSA-N 527.606 5.722 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 97971202 UVMLGXOHJPBVFH-UITCBPOKSA-N 558.585 6.146 5 40 KKBB CCCc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103332734 XNSAOEIVFPMTFN-XJBBNLILSA-N 583.644 6.403 5 40 KKBB Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@H]4[C@@H]3C2=O)c1 104071347 QJTICNCAZQDWIA-XPGKHFPBSA-N 542.979 5.019 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(-c2cc(Cl)ccc2Cl)o1 105303714 XEPOJJDVGBRQDY-UHFFFAOYSA-N 588.517 5.989 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2-c2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 150424900 VMUODTJRSZPWTH-UHFFFAOYSA-N 694.792 5.361 5 40 KKBB O=C(Nc1cccc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccccc1 150484685 CTTPBYSZNUPPPB-WAWVYTBHSA-N 671.529 6.191 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223474099 DFKOPVDIKYJFDK-VWLOTQADSA-N 714.068 6.789 5 40 KKBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224228228 HHPKVRHWZOMKGH-HHHXNRCGSA-N 533.694 5.691 5 40 KKBB CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@@H]2OCCCN2Cc2ccc(Cl)cc2)C1 253578752 YSNWTCJFVGOANO-ZBLYBZFDSA-N 515.054 5.254 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261092385 UHLNJSGNBCWVKB-CMVGPNDKSA-N 642.778 5.653 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccc(Cl)cc1Cl)[C@H]1CCCN12 408569317 VPKAVJYCMNYLEI-AWTIUKJOSA-N 524.404 5.627 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 408574466 UVYIURZWTBKERG-XMMPIXPASA-N 586.026 5.844 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc([N+](=O)[O-])cc1 408646792 UOFJFJGSVLYHOZ-UHFFFAOYSA-N 779.417 6.835 5 40 KKBB COc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3Cl)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408821521 ILQOKNVOUKYYBO-UHFFFAOYSA-N 500.363 6.953 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408834625 WRGWHANLWIECKV-FQKMCRJQSA-N 821.431 5.803 5 40 KKBB O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 408849175 YZMBYJSCVXPNKJ-VPHSIRQSSA-N 608.657 5.989 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc2ccccc2c1 408916304 BLEXBPZJAHWDSK-JVWAILMASA-N 526.570 6.572 5 40 KKBB O=C(COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 409002689 PDDRZMXESIAPRN-MHZLTWQESA-N 540.547 5.019 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(SCc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 409032873 JRCPGQWVAJZWBC-HVDVVURSSA-N 621.740 6.152 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409034689 QTAWZBFUUKELFG-MRWVFDTMSA-N 673.744 5.090 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCc2ccccc2C1 409275105 YLLKJWKGOTWCAZ-ZMOGYAJESA-N 583.544 6.027 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409276354 QBVOXDCOIMUXRP-PQRKSKNISA-N 683.625 5.494 5 40 KKBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 409321541 TWGHFNJHLCXJMF-WAYWQWQTSA-N 557.582 5.724 5 40 KKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc12 10010621 ZDVZTUMJUODWTO-VQHVLOKHSA-N 500.330 5.888 5 40 KKBB O=C(CSc1nc(-c2ccc(Br)cc2)nc2ccc(F)cc12)Nc1ccccc1[N+](=O)[O-] 12487920 BTYPNJOYGXIURY-UHFFFAOYSA-N 513.348 5.837 5 40 KKBB Cc1ccc(C2=NN(c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 13551990 QBGVGABMDLDXET-MUUNZHRXSA-N 519.992 7.523 5 40 KKBB CCc1ccc(C(=O)N2c3c(C)cccc3[C@@H](N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3C)C[C@@H]2C)cc1 100159667 RDGAWNMUPQWZPI-HRQNQYEESA-N 573.693 8.001 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 102632123 PPNVQVKTXJOTAB-RVKKDDDSSA-N 565.413 7.493 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223070578 NCCDHCQEMCKCAY-QHCPKHFHSA-N 645.178 5.403 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223382734 BMVBDUAFEKMXNT-YTTGMZPUSA-N 679.195 5.537 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 224033108 LOMFAHMBGCAYQA-JWQCQUIFSA-N 516.535 5.164 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224112900 SYYCIBXLDGADOL-MHZLTWQESA-N 519.667 5.303 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224918840 OPZOEKNGCLLVSJ-LJQANCHMSA-N 607.516 5.040 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224928273 QSVNZSYULRBQDS-UMSFTDKQSA-N 753.705 7.113 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 408570702 LXJIGVNCBHAPEK-MHZLTWQESA-N 552.628 6.201 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 408571385 OOUQJGULWAHGNA-LJAQVGFWSA-N 619.541 7.579 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408831617 OMZANFWSNXQSND-VLOXRPPESA-N 603.962 5.162 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 408874225 AHTRSRULSDANLS-JAIQZWGSSA-N 547.467 5.557 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408921181 MERRMOPXUXPNDJ-ZSJKCPIUSA-N 593.658 5.216 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1cccc(Cl)c1 409090319 OYGDYXDZWJGUDS-RGVLZGJSSA-N 575.746 5.529 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409098554 QOYCMQZPLUUTOK-LMSRTUJASA-N 696.605 5.199 5 40 KKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O 409158951 MCXLMBLVCLNPDX-OEAKJJBVSA-N 503.536 5.157 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 409247463 CIPBCYZINBTNCQ-OYKKKHCWSA-N 561.572 5.196 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C(C)C)cc4)C3=O)o2)c([N+](=O)[O-])cc1C 409334978 YFNCZKJKIQISET-CFRMEGHHSA-N 519.579 6.270 5 40 KKBB CCCc1ccc(C(=O)N2c3ccccc3[C@H](N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)C[C@@H]2C)cc1 1902064 MFBUCWOJBYTUJZ-GTYOFVGBSA-N 533.628 7.374 5 40 KKBB CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1 3367617 XISMAUHUYAMRIR-UHFFFAOYSA-N 533.989 5.782 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1 16611177 RFAZPXMURGRVJC-AWEZNQCLSA-N 508.987 6.697 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@H]2C(F)(F)F 33358558 WXELPYPMLCMPQP-HKUYNNGSSA-N 626.386 7.459 5 40 KKBB Cc1ccc(S(=O)(=O)N(Cc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)c2ccc(C)cc2C)cc1 98007153 RPHANTDSTPDPKL-UHFFFAOYSA-N 537.037 7.361 5 40 KKBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 101591375 XIRUWOOZGAGXCD-CXNUKBDRSA-N 599.599 5.502 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103534635 RJPHSPNOPSCOST-KHLUAOTOSA-N 555.590 5.885 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)c(C)c1 105314047 BBFYVPGUTSKGBP-UHFFFAOYSA-N 531.642 5.227 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c2=O)=N1 164185005 HAZQVSRHRQNKFP-DDIUQFJASA-N 643.718 5.083 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222466867 QNMXNHNSURLLBT-AJTFRIOCSA-N 675.204 5.491 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222760225 NDAILBLGTRNPBX-JGCGQSQUSA-N 646.741 5.342 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223555566 PPWSVOBKBHJFQT-PMERELPUSA-N 679.593 5.329 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223920931 FJAXKTXSGSIZSK-FQEVSTJZSA-N 712.052 6.543 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 224759530 LUKMPIOVCYZLGW-LOYHVIPDSA-N 564.623 7.228 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261034425 XWONPXOELFWDQN-JGCGQSQUSA-N 741.694 6.969 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(F)cc1 408564764 AAYKVIZBGIBPFQ-AREMUKBSSA-N 522.602 6.111 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408650730 MWZJDRFKNLMSRX-DHIUTWEWSA-N 624.433 5.536 5 40 KKBB O=C(Oc1ccccc1)C(=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)Oc1ccccc1 408732034 OIODXBYGSDBFAC-UHFFFAOYSA-N 606.634 8.314 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408784596 VNPFBISWHDEICZ-VCLSCOGJSA-N 911.556 7.755 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408993721 FEPMARUJEPXLAH-QZVQSRICSA-N 647.709 5.431 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409031390 AHRJMVNJKFGZJQ-KEQCBNTKSA-N 624.502 5.592 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409043953 AGFPNYNXJSISNF-YQHHHJOQSA-N 522.557 5.344 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1 409101568 YJRLPBSGIBWLCW-LMSRTUJASA-N 696.605 5.199 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4Cl)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409175203 XNEIKBZOYPGYIF-JBDHCHCMSA-N 604.084 5.247 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409179517 POKIQSFSENWGHW-UHFFFAOYSA-N 603.927 6.115 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409184689 ZQSHJKKWYKKGSA-UHFFFAOYSA-N 539.456 5.453 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2cccc(C(F)(F)F)c2)=Nc2ccccc21 1839800 NXFSIZSYBIIPBH-MUUNZHRXSA-N 593.569 7.903 5 40 KKBB O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(I)cc1)C(c1ccccc1)c1ccccc1 8425148 SWMOFAUJGCJSNN-AREMUKBSSA-N 605.432 5.698 5 40 KKBB Cc1cccc(Oc2cc(Oc3ccc(C(=O)N[C@H](C)C45CC6CC(CC(C6)C4)C5)cc3)cc([N+](=O)[O-])c2)c1 8445583 GFXBFZRQPGYAEC-JLJIINCZSA-N 526.633 7.823 5 40 KKBB COc1ccccc1-c1nnc(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)n1-c1ccc(C)cc1 12542443 VMOZFROXSHNYLS-UHFFFAOYSA-N 519.583 5.207 5 40 KKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 57313104 MQPWWEKOZMZSQB-JQIJEIRASA-N 515.529 6.702 5 40 KKBB COc1cc(OC)c(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1OC 79189561 ZIQMKJBLCGFPOT-UHFFFAOYSA-N 503.555 5.918 5 40 KKBB biogenic CC(C)(C)[C@H]1C/C(=C/c2cccs2)c2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)c2C1 97979672 VFTGBVZOTAWEEE-YKRMCXMESA-N 555.656 7.149 5 40 KKBB CCOc1cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2COc2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC 100819005 BKZAUIPHARZIDI-VWLOTQADSA-N 580.634 5.627 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccco1)[C@]21C(=O)Nc2ccccc21 101208986 IIGHFBBSFNYSHR-QODLHPCFSA-N 545.551 5.434 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 101671151 GRKVKYDAHGSZLD-WEWMWRJBSA-N 604.413 5.666 5 40 KKBB COc1ccccc1N(CC(=O)Nc1cc(C)ccc1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 101762230 MOSZDYLHDVZHIY-UHFFFAOYSA-N 524.382 5.053 5 40 KKBB C[C@@H](CCc1ccccc1)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 103053728 FUUYBSKGMMQUCD-KRWDZBQOSA-N 580.888 5.344 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12 103550588 DYEXHBYXRFDPOE-NBJHOTSESA-N 576.008 6.104 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OC 104656333 LUOSFHIVWCHSBW-ORVZPOCUSA-N 604.482 5.007 5 40 KKBB COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCc1c(F)cccc1Cl 106739669 PROFBXJEBVICEY-FMCGGJTJSA-N 528.945 6.211 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 106745263 SFEIHCAJCLQEMQ-IMRQLAEWSA-N 562.644 6.595 5 40 KKBB O=C(Nc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(NC(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3)n2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 150430407 PJASADODZJTIQJ-UHFFFAOYSA-N 820.818 11.383 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224918390 RHWILEVXVYOECP-NDEPHWFRSA-N 566.123 6.180 5 40 KKBB COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225110159 BZFVCYLQIZMCRV-RUZDIDTESA-N 574.461 5.454 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N23)c1 229869083 WPRUOCSKEYLTNL-AOFBEVEVSA-N 571.589 5.460 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261032601 JPVQFCNWWDDWFR-YJNPBZNESA-N 721.276 6.624 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408570559 LJJNFNWGBOBUBL-DLXDESGFSA-N 586.870 5.648 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1C 408571869 PSVVANAHDIVZMK-VWLOTQADSA-N 527.021 6.674 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1cccc2ccccc12 408575005 VJFHMIXNNBUKOB-SSEXGKCCSA-N 554.672 7.125 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 408576612 XVZRZSJFYIIYCE-RUZDIDTESA-N 603.926 7.079 5 40 KKBB O=[N+]([O-])c1ccc(NCc2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1 408613613 YTVVYSODYTWBAX-UHFFFAOYSA-N 542.227 7.464 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C(=O)O)n[nH]2)c1 408633393 MTVQBYKPKAXGGQ-MTJSOVHGSA-N 508.512 5.183 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408638209 PRMCYJOGRATKHV-AREMUKBSSA-N 630.609 6.539 5 40 KKBB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 408720042 JMRZVKHSYCQBJE-AGYDLCDTSA-N 584.220 5.013 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408777883 KYGOLSALZBPJIU-FABFSAKGSA-N 887.465 6.771 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 408824861 BIGWWDCDAXNBPK-OINPTKSXSA-N 641.702 5.965 5 40 KKBB Cc1ccc(-c2sc(NC(=O)C(c3ccccc3)c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408836322 PYTKIHHKGVPHPL-UHFFFAOYSA-N 505.599 7.464 5 40 KKBB Cc1cccc(C2=N/C(=C/c3cc(Br)ccc3OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)C(=O)O2)c1 408849554 ZGLMQVAIXUZSAJ-YBFXNURJSA-N 597.830 7.098 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408884624 VCNYOBXCQFNJEK-UUYOSTAYSA-N 616.421 5.759 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409029829 CLQWISVGDULEFR-BXMULHQWSA-N 848.510 6.448 5 40 KKBB O=C(CN1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409180175 PUXVFRFXEUHGDO-XDSPJLLDSA-N 727.638 6.047 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409206073 MDXSZWFWQKFWCN-WYMPLXKRSA-N 565.629 5.579 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409250092 WAABRZGFQXWDHA-YDZHTSKRSA-N 658.303 5.793 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409256267 KOLSSORHLYUNMA-AUEPDCJTSA-N 623.512 6.758 5 40 KKBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409316276 LYCAFPGKKSLDPS-UTCJRWHESA-N 508.365 5.084 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1I 2759246 RQSKVLYLUUBENE-UHFFFAOYSA-N 586.125 5.902 5 40 KKBB C[C@@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCCC1=CCCCC1 3369561 YPBFCMVYXWASDD-MRXNPFEDSA-N 522.545 6.317 5 40 KKBB Cc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl 9543574 SYOBFYPYSIDWRI-UHFFFAOYSA-N 510.930 5.884 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 100300882 XCTXGLGXRWFDQZ-QPJJXVBHSA-N 514.897 5.861 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)N1CCN(c2ccccc2)CC1 100365569 RNOKWMYHAMOWEF-UQQQWYQISA-N 595.102 5.785 5 40 KKBB CCCCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 102707922 WNUSWKUQRMNRRP-KWXIBIRDSA-N 515.566 5.605 5 40 KKBB O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 102955472 KFEOLJDEGCLTGP-UHFFFAOYSA-N 535.409 5.555 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 109032937 UGPQTJCGDITWSK-UHFFFAOYSA-N 549.008 5.749 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 150396403 MJNAUSZPQJKLMY-CWPZDHDOSA-N 700.523 5.595 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 215246981 CCBGIFQGNSQTCP-FSJBWODESA-N 521.507 5.327 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223428575 PWNWRXFESVIQFJ-RUZDIDTESA-N 663.168 5.622 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4)o3)cc2)cc1 224785779 IAAPTYNSLMHDJV-FQLXRVMXSA-N 550.665 7.578 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 224975697 ZJKZDUSKNUSGGS-BJKOFHAPSA-N 506.971 6.089 5 40 KKBB CC(=O)O[C@@H]1C[C@@H]2CC[C@H]3[C@@H](CC[C@@]4(C)[C@@H]3C[C@@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1 253588062 GVEAYVLWDAFXET-OUHGGVRESA-N 572.875 6.111 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccc(F)cc1 408565519 CDWAXZOKOOVNMP-XMMPIXPASA-N 543.020 6.374 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 408565586 CLCJPCGKQAYUBX-HHHXNRCGSA-N 569.083 6.716 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN12 408568138 SCBHTRMFYAZXOZ-TUPPOGIXSA-N 603.300 6.389 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 408572995 SCKNUDRBJIDVMA-RUZDIDTESA-N 575.474 6.589 5 40 KKBB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408643317 PDUSVJWSGUQDPH-JAUNJTCJSA-N 666.128 5.670 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408666052 ZWUBICOPLAHPQH-GOTSBHOMSA-N 622.417 5.312 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408685152 OUQXAMBCGQQOAL-TUSFPTNYSA-N 669.088 5.507 5 40 KKBB COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1[N+](=O)[O-] 408723618 YEAMDILSKIZOLT-UHFFFAOYSA-N 504.524 6.171 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(C(=O)OCC)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 408828270 DIMYSFYQFAJFKC-FUFNRSNVSA-N 741.016 5.878 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 409000374 YRONDHNMAYCJKO-WGJPBTIMSA-N 654.144 6.881 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409110753 GMBKVGRYGQAOIG-UHFFFAOYSA-N 582.034 6.192 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 409177837 HZMZUIYRNNQWQV-AREMUKBSSA-N 540.915 5.830 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409189749 IDORGGXUHPSZRM-FSEOGBMLSA-N 802.516 6.721 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 409247461 CIMIMDXNTYYATK-CFRMEGHHSA-N 644.443 6.015 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409334925 WZZZIZYCVQZWJL-YDZHTSKRSA-N 598.431 5.620 5 40 KKBB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 3290843 CCAMLMCCNBEVBW-UHFFFAOYSA-N 505.957 7.480 5 40 KKBB O=[N+]([O-])c1ccc(/C=C\c2ccc([N+](=O)[O-])cc2S(=O)(=O)Oc2ccccc2)c(S(=O)(=O)Oc2ccccc2)c1 4701185 SUZRYOJAGSEDLY-QXMHVHEDSA-N 582.568 5.209 5 40 KKBB O=[N+]([O-])c1ccc2nc(Nc3ccc(Br)cc3)c(Nc3ccc(Br)cc3)nc2c1 33358518 DHAUSORYMSJREF-UHFFFAOYSA-N 515.165 6.550 5 40 KKBB O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 97954718 OOJBUMXXZRKXGN-KIHHCIJBSA-N 534.355 5.300 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100390947 KPTWWPRFVYUFGL-QSCAOHDJSA-N 544.947 5.709 5 40 KKBB CC(C)(C)[C@@H]1CCc2c(sc3nc(COc4ccccc4)nc(NCCNC(=O)c4ccc([N+](=O)[O-])cc4)c23)C1 100407220 QJOAPJQOYCXEIZ-HXUWFJFHSA-N 559.692 6.171 5 40 KKBB O=c1[nH]c2c(s1)[C@H](c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100864388 QOGOWCLXSZOUGF-NPXJNGJUSA-N 501.029 6.229 5 40 KKBB Cc1ccccc1C(=O)CN1C(=O)[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)c2ccccc21 100946786 YXEFWAQUKNJZFZ-GDLZYMKVSA-N 547.571 5.118 5 40 KKBB COc1ccc(C2c3c(c4ccccc4oc3=O)Oc3c2c(=O)oc2ccccc32)cc1COc1ccc([N+](=O)[O-])cc1 102404724 FXIOIHZOSZCIGV-UHFFFAOYSA-N 575.529 6.681 5 40 KKBB COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])c(N4CCOCC4)c([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)cc2)cc1 102928668 OZJVAOCOQMONBF-NDHQBSDBSA-N 627.654 5.794 5 40 KKBB C[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 103698172 MAFNTTGKPRINDX-HUUCEWRRSA-N 575.257 6.102 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 104382427 RDBXYWIMIJEHLY-SKGAXEKPSA-N 568.221 5.313 5 40 KKBB O=C1N[C@@]2(Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)/C(=C/c2cccc([N+](=O)[O-])c2)S1 105929563 RCAFAKOWHZHLQX-GDFHEWGHSA-N 549.406 6.052 5 40 KKBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222906686 XQFVAALNHKMQSA-HNNXBMFYSA-N 512.459 5.467 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223821637 AEWBDIOALSDRMP-GJBXTBEHSA-N 776.139 7.622 5 40 KKBB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CCCCC1 224770239 HJPIRZVKJZUMAE-FIRIVFDPSA-N 583.783 8.242 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccn(C4CCCCC4)c3)cc2)cc1 224790681 ZNZICFDJQCKYJJ-URLMMPGGSA-N 555.729 7.625 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 224888537 KNWNFKFAFSTUDL-MHZLTWQESA-N 566.054 5.335 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229609266 RJPHSPNOPSCOST-NIKYWZLZSA-N 555.590 5.885 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260924485 ACMRXLTVFGZHJV-OAQYLSRUSA-N 722.058 5.999 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 260959646 GYTIFPQHVWVWPM-HHHXNRCGSA-N 649.597 5.531 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261069248 PGMPUVSWDMBBNX-XDCSYDRFSA-N 741.694 6.969 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)cc1C 408569868 KAKXZJPCZBBAMC-RUZDIDTESA-N 509.031 6.535 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)CC3=O)cc2)c1 408656181 IONXWTUYXYXXSD-HXUWFJFHSA-N 531.565 5.354 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730337 PTEFOWZDRQKQJE-USDTVRPUSA-N 595.633 5.128 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408773856 SZWMZOQJJXBJCP-QAWIOZNNSA-N 749.470 7.884 5 40 KKBB O=C(Oc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1)c1cccc([N+](=O)[O-])c1 408787208 UUWBVVAZIJBCLE-MRWVFDTMSA-N 603.631 5.585 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1cccc(C(F)(F)F)c1 408869656 SYEYYRURKSLFKJ-GRSHGNNSSA-N 551.886 6.202 5 40 KKBB O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1c1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1 408982943 KBZAVPUSDZKESJ-UHFFFAOYSA-N 797.526 9.001 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408985598 NTBMIDSJFHTESB-PLNPHXOGSA-N 682.154 6.085 5 40 KKBB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCCC6)cc3[N+](=O)[O-])sc2c1 408991734 PCHFEJUEHNCIIJ-OALUTQOASA-N 657.799 7.682 5 40 KKBB O=C1S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1CCc1ccccc1 409008241 WZPPWQFDQUKCSK-HMAPJEAMSA-N 712.303 6.662 5 40 KKBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 409014957 QONGSBCZSPZIAN-SGEFVQMOSA-N 708.268 5.371 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409031865 BSOUROQYKZMKQQ-LMWPEEHHSA-N 801.068 5.652 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cccc2ccccc12 409046382 KIBSNKHIDJYYHD-UAMLYEQYSA-N 763.464 6.964 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 409084154 ABVWCHSQPOGYRI-HRIDGTDGSA-N 627.078 5.704 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409098588 IWGMBRWTTRNIQO-ADUBFANXSA-N 662.768 5.753 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409159999 OVQQLZWXKLWUIH-YDZHTSKRSA-N 618.451 6.794 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409174562 NPMWXESMQNNCGZ-ZVHZXABRSA-N 533.562 5.166 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409188977 LVNIBKIXDHFIQD-GAPLDZIPSA-N 864.587 7.858 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409191214 DMOXXFYKNXKPDZ-BUDNTJSZSA-N 830.570 7.501 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409201738 XMZCPSXIFAYXPW-ZVHZXABRSA-N 569.433 6.224 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)c(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 409264714 PQCQJGLJJVKEBP-FBHDLOMBSA-N 715.298 7.914 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c1C 409273580 KDWJQGKSEKJDHE-FSJBWODESA-N 505.552 5.763 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409327390 JJTRWNFSLBWYNL-YDZHTSKRSA-N 691.354 6.773 5 40 KKBB COc1ccccc1NC1=Nc2ccccc2N2C1=Nc1c(c(C)nn1-c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 1861809 XXZMTSYDHDBEHT-GDLZYMKVSA-N 555.598 6.893 5 40 KKBB CCCCOC(=O)c1ccc(Nc2nc(C)nc(Nc3ccc(C(=O)OCCCC)cc3)c2[N+](=O)[O-])cc1 8434960 KOGJZJWFGFRLDQ-UHFFFAOYSA-N 521.574 6.094 5 40 KKBB COc1c(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc2ccccc2c1Br 8898705 MIPXJDVSWOLNOO-UHFFFAOYSA-N 504.768 5.135 5 40 KKBB CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 17920759 AOALKDZKDYFDQM-VJBWXMMDSA-N 512.349 5.515 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Br)cc1 97951130 CEJLJSOTADIDOH-NRFANRHFSA-N 529.188 6.111 5 40 KKBB COc1cc(-c2c3c(nc4sc(C(=O)Nc5ccc([N+](=O)[O-])cc5Br)c(N)c24)CCCC3)cc(Br)c1O 98048917 QDUPYGHFHXZZEG-UHFFFAOYSA-N 648.333 6.824 5 40 KKBB COc1ccccc1-n1c(/C=C/c2ccccc2[N+](=O)[O-])nc2ccc(I)cc2c1=O 101016899 KDDODYAVOXSZAW-JLHYYAGUSA-N 525.302 5.078 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 101064298 CWSVCPDOJGYHEP-KCIBBDPESA-N 620.459 6.213 5 40 KKBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N(Cc2ccc(Br)cc2F)c2ccccc2Cl)c1 103053623 UPUFPZNVKSKKPV-UHFFFAOYSA-N 534.190 6.199 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 103522543 BTNNBBAJKPBJBU-RACNZAJVSA-N 541.563 5.577 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2s1 103765801 NCSJDDUGLYTDJD-UHFFFAOYSA-N 522.029 5.960 5 40 KKBB O=C(NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306008 HQZQRMSZSUMBSR-UHFFFAOYSA-N 572.474 6.271 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 224653507 ZBRCTXJOOASUEQ-XZWHSSHBSA-N 564.623 7.228 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccccc3F)cc2)cc1 224781647 IAUSDQDYRKQFEI-WDYNHAJCSA-N 567.671 7.248 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225297602 NKEHHXAXPUZJQW-JOCHJYFZSA-N 552.455 5.545 5 40 KKBB CCC1(CC)C[C@@H](NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2O1 225805746 SNWHKPUWYGHZOM-RUZDIDTESA-N 567.664 5.306 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408532234 NOAQAPSQAAIXAU-UHFFFAOYSA-N 510.355 5.028 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1C 408571517 OUIWSNHTCBKSLR-XMMPIXPASA-N 561.466 7.328 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 408571652 PJWBUJPZCZWFOS-DEOSSOPVSA-N 608.345 7.643 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1ccccc1 408573123 SPEUCIFCACWZAT-HSZRJFAPSA-N 570.425 5.936 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408574552 VELJTECDXCCEFQ-AREMUKBSSA-N 587.529 7.587 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 408575497 WJOHYZGAJCRRCG-XMMPIXPASA-N 664.376 6.807 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 408576170 XNCUQZBRASTPST-AREMUKBSSA-N 583.508 6.734 5 40 KKBB CC(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408665579 UATKSPQQKBRAKW-LXYMHCHRSA-N 564.425 5.151 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408676254 APUXPYINERKJPS-FZDFQQAASA-N 608.994 5.606 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408841101 FPBIGJDGGUVSIH-MIUGUJGPSA-N 655.486 6.158 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCSCc1ccc(Cl)cc1Cl 408922721 GPIRHPQQBYBVCY-UHFFFAOYSA-N 554.477 5.147 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 409077307 DNBHYLVTIUMNRA-NULZLWRNSA-N 627.078 5.704 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)c1 409093594 AZWVFOGJRMEKIG-WSDLNYQXSA-N 555.374 5.320 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OCc3cccc4ccccc34)cc2)N1Cc1ccccc1 409131687 YRUWGLFTTHXRGB-KXQOOQHDSA-N 605.694 8.688 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409148162 XMUYYDZYKFJGHE-JOCHJYFZSA-N 565.681 5.188 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409180572 XBIVYKLTGJTVGI-DXUGRCAZSA-N 654.144 6.401 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409182422 MAPAZTPDOVQKJM-PIXWUVMMSA-N 604.084 5.247 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc5ccccc45)C3=O)o2)c([N+](=O)[O-])c1 409206567 LDOMXQNCNBBHSR-ZVHZXABRSA-N 513.531 5.991 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O)N1CCCCC1 409370516 SBRHGLPCZKUKFD-XYGWBWBKSA-N 531.590 5.376 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 1307711 YAVFPELZYVJJBL-VWNXMTODSA-N 553.497 6.578 5 40 KKBB CCOC(=O)C1=C(n2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccccc2)S[C@H]2CCCC[C@@H]12 2310751 WAOKOPMMMKSWFQ-KNQAVFIVSA-N 537.645 5.380 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccccc1[N+](=O)[O-] 32114694 MLXLYISXSONVTM-UHFFFAOYSA-N 502.939 6.336 5 40 KKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1)Nc1nccs1 44087825 RAYJXSKTQIDGES-UHFFFAOYSA-N 505.503 5.654 5 40 KKBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59331580 WZMAOWCVNUMOOV-UHFFFAOYSA-N 517.567 5.139 5 40 KKBB COc1c(Br)cc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 97999914 WSXPUFFQKUOVSS-PLQXQRLBSA-N 653.352 5.761 5 40 KKBB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 102928449 FIDAJOKZORRRTG-QYVIOZNPSA-N 609.642 8.155 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c2=O)=N1 104676707 OQVZLQVEAAISTG-JLKMOJGBSA-N 599.709 6.179 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106688633 YZLAAVIVCLETCT-FMCGGJTJSA-N 558.565 5.055 5 40 KKBB O=c1/c(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 150506907 FXMNXLWOKSORKO-QQMBNGEASA-N 841.440 7.154 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c2=O)=N1 164185408 KPQGMGQXZNCYIL-IMUCPKNRSA-N 643.718 5.083 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 222864458 WNASSZDRAPZPOS-SANMLTNESA-N 598.494 5.157 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223663401 WMODAVUHSFJBDY-HKBQPEDESA-N 748.085 6.844 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(F)c(Cl)c3)cc2)cc1 224766337 BLVWHXFJNVJPJI-WDYNHAJCSA-N 602.116 7.901 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3C[C@@H]3CCCO3)cc2)cc1 224768316 VRPBBOVLQJBATP-ZGOJTZKKSA-N 557.701 6.299 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 225579269 LVJLNCGDFYQGGT-SVBPBHIXSA-N 527.606 5.560 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225636694 HCYLETQTWGVIML-NDEPHWFRSA-N 549.693 5.393 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260797460 POMRJJOQGDFXGX-JOCHJYFZSA-N 643.162 5.237 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 260923473 IEBOGTFENYZPFI-MUUNZHRXSA-N 649.597 5.388 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260954102 WDUAXXSOPBUWAU-DIPNUNPCSA-N 712.869 6.505 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 408564808 AJHQWZQSTJMMTN-VWLOTQADSA-N 583.508 6.653 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(C)cc1 408572599 RJTNWJRDWOZTMT-AREMUKBSSA-N 504.612 5.972 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1ccc(Cl)cc1 408575846 WYHAGBCOCAMVDB-QHCPKHFHSA-N 549.867 7.225 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(F)cc1 408577011 YIWWQGUQKQPMKL-VWLOTQADSA-N 508.575 5.721 5 40 KKBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C2)cc1[N+](=O)[O-] 408661198 OJTMJURKERVJJO-FQEVSTJZSA-N 545.592 5.528 5 40 KKBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4cccc5ccccc45)cc3)C2)cc1[N+](=O)[O-] 408667523 UGYVJHSCJUNSBA-NRFANRHFSA-N 539.544 5.384 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1 408748974 DCFLPWQCQXKOHB-UHFFFAOYSA-N 504.549 5.044 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c(=O)n32)c1 408770203 UQIWBALPZVISMP-QQMBNGEASA-N 663.668 5.491 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408770819 ACRRUFQCDLXGKQ-ZSJKCPIUSA-N 825.394 5.634 5 40 KKBB CCOc1cc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408848354 VXTSYEGLNOCGQY-YBFXNURJSA-N 627.856 7.188 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c5ccccc5cc5ccccc45)c(=O)n32)cc1 408928144 ZXWGAYJDCQXTJN-UNDLXJOSSA-N 564.732 6.215 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 408928159 WMCIGUFETUOQSZ-UHAPOFRNSA-N 660.155 6.439 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408929330 IUSSDOIZFSKMDZ-SRZZPIQSSA-N 664.250 5.642 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408946926 ZOMLLABXECPHGC-QUNTYYFUSA-N 682.582 6.380 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408956139 YUGXJGOLJDDKEE-DKOMQPSQSA-N 644.887 5.001 5 40 KKBB CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409031128 GJUARHCTRMCQHF-YNMQQHPQSA-N 634.110 5.338 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 409104653 GNJVQMQKYMKGOJ-RGVLZGJSSA-N 528.746 5.687 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409150538 CETPRIKEZXEUML-FMCGGJTJSA-N 662.496 5.117 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl 409152272 JXPFMRWCTAQBNB-OYKKKHCWSA-N 690.108 5.266 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409159958 CWUOQRGXDJBYQS-RGFRMHDHSA-N 645.763 5.053 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409170799 XTLUJUWKERGDGW-ZVHZXABRSA-N 547.589 5.474 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O 409184197 YDDBBLZBYHQSHW-AREMUKBSSA-N 575.360 6.483 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1 409191740 MBZTWHDKRSTSPA-ZWTBYVTRSA-N 723.620 5.958 5 40 KKBB O=C(Nc1cc(Oc2cncc(Cl)c2)cc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1ccccc1 678485 RAVIKRPPRIEGBD-UHFFFAOYSA-N 511.925 6.541 5 40 KKBB Cc1cccc(Oc2cc(NC(=O)c3nc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)c1 855930 XOWJUICXGBHOGE-UHFFFAOYSA-N 534.454 6.071 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(CSc3ccccc3)cc2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 8384572 WOQDLPMIXLDXID-UHFFFAOYSA-N 607.710 6.047 5 40 KKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4ccc([N+](=O)[O-])cc4)CCC[C@@H]3[C@H]2c2ccc([N+](=O)[O-])cc2)n1 8455430 IDZVZPIAZPZAGG-PJFBIYSNSA-N 545.512 5.064 5 40 KKBB COc1ccc(C2=NN(c3nc(-c4ccc(C)cc4)c4ccccc4n3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 9446249 NYSFCESTSIHLOY-LJAQVGFWSA-N 515.573 6.878 5 40 KKBB C[C@@H](Nc1cc(N2CCN(C(=O)c3cccc(Br)c3)CC2)ccc1[N+](=O)[O-])c1ccccc1 9601753 PPLATSLSEIZCQR-GOSISDBHSA-N 509.404 5.493 5 40 KKBB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 57314071 IJRXNTSYKSEIRE-UHFFFAOYSA-N 504.974 6.853 5 40 KKBB O=C(Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2)c1ccc(Cl)c([N+](=O)[O-])c1 101017527 RFDXMIMCECWFGR-FQEVSTJZSA-N 507.337 5.801 5 40 KKBB COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 103520520 UJXJYYUZGWGZMW-GGVMLGSCSA-N 571.589 5.585 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O 105315382 IZFSAACSSGFUPA-UHFFFAOYSA-N 542.617 5.794 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 106717975 UNEGWLKTYLMSGV-JAIQZWGSSA-N 532.361 6.334 5 40 KKBB CC(C)(C)c1ccc([C@H]2C([C@@H](O)c3ccco3)=C(O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 110091271 QKFFWHVZRVDJSO-ZEQRLZLVSA-N 595.655 5.408 5 40 KKBB COc1cc(COP(OCc2cc(OC)c(OC)cc2[N+](=O)[O-])N(C(C)C)C(C)C)c([N+](=O)[O-])cc1OC 138789583 OJWAIDYKRUKFTL-UHFFFAOYSA-N 555.521 5.617 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C)C(c1ccccc1F)=N2 150430704 AKCPVJHQPOMSSK-VQJSHJPSSA-N 638.438 6.335 5 40 KKBB O=C(Nc1cccc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)/C(=C/c1c(F)cccc1Br)NC(=O)c1ccccc1 150484701 CCIYQWMALUUZJL-WAWVYTBHSA-N 689.519 6.330 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 205653268 VIESTXHTRZMPCO-HCGXMYGOSA-N 585.934 5.923 5 40 KKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccc(Cl)cc1Cl 214406066 FWUNHCHIISBOGH-SSDVNMTOSA-N 515.374 6.717 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 214992374 ORMFWSLANQOBGF-FOKLQQMPSA-N 632.876 6.273 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 224718260 KBQQACKXWMAYAU-XZWHSSHBSA-N 548.624 7.528 5 40 KKBB O=C(O)c1cc(C(=O)O)cc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 224788091 PWJTUMXQRQUMFK-URLMMPGGSA-N 638.683 6.975 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 229864625 YPPHDLHIAYXVKH-CKPORNQBSA-N 576.008 6.230 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3Cl)c(Cl)c1)[C@H]1CCCN12 408568970 VKWBWWDUBRLMOB-AWTIUKJOSA-N 524.404 5.627 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Oc1ccccc1 408604772 IDVZXALZNZFDAB-UHFFFAOYSA-N 503.536 5.221 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408651593 NOBYVJJPONSFJQ-AGTZKDDFSA-N 592.007 5.381 5 40 KKBB O=c1/c(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408757647 OIBKQOMNIXBNOP-OIUASMPBSA-N 902.346 7.778 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 408837473 GILYQTIUVLRZDZ-FWESEHMYSA-N 625.634 5.252 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O)Nc1cccc(C(F)(F)F)c1 408877134 SZRSYSPAQXLFGS-JJFYIABZSA-N 591.951 6.521 5 40 KKBB COCCCN1C(=O)c2cccc3c(Nc4cc(C)c(C)cc4Br)c([N+](=O)[O-])cc(c23)C1=O 408989130 HBFQMDQRVMTIOX-UHFFFAOYSA-N 512.360 5.503 5 40 KKBB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)N(CC(=O)OC)C2=S)cc1 409057728 KVEGQWBLUYELQF-IWIPYMOSSA-N 610.486 5.646 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 409086029 YBAWITVGLNIDME-NNAGEYCMSA-N 592.633 5.051 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)o2)cc([N+](=O)[O-])c1C 409152011 JEKCYSKOKFCIOT-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409164932 PWMVUKXZLGCQJP-FSJBWODESA-N 582.522 5.508 5 40 KKBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1cccc(Br)c1 409196147 UAKOAMQRSBNOSU-ODLFYWEKSA-N 512.341 5.781 5 40 KKBB O=C(O[C@@H]1OC(COCc2ccccc2)=C(OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 1560405387 UMFOTMXQRKMRKJ-WEZIJMHWSA-N 567.594 6.339 5 40 KKBB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 2078939 BXUJEHSBDUPVTJ-UHFFFAOYSA-N 504.498 6.642 5 40 KKBB COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 3006587 AVVMXXPWQAPUQW-QHCPKHFHSA-N 512.946 5.093 5 40 KKBB O=C(Oc1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C2CCCCC2)c1)c1ccc(Br)c([N+](=O)[O-])c1 8386865 AWYHROWIPQXIOU-UHFFFAOYSA-N 648.260 7.514 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 8426050 NJIYOIZMWBAETB-OGMUYLFESA-N 546.692 6.228 5 40 KKBB O=C(Nc1cc(Oc2ccc3oc4c(c3c2)CCCC4)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl 8444884 YGPWNMHNELYNAA-UHFFFAOYSA-N 647.997 8.646 5 40 KKBB CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1OCCC 12549122 CHDNKKCLAQSPPF-UHFFFAOYSA-N 501.004 7.229 5 40 KKBB O=C(Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCCCC1 97951192 OUGKYMAOARBJIW-UHFFFAOYSA-N 550.442 8.480 5 40 KKBB CCN1C(=O)N(c2ccccc2)[P@](=Nc2ccc([N+](=O)[O-])cc2)(N(CC)CC)c2cc3c(cc21)OCCO3 97984780 PBRVPWHRDYIOOW-KXQOOQHDSA-N 535.541 6.163 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 100250916 VAVXZUQBBRJJHV-YVBHXKDBSA-N 601.681 5.371 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 100363574 AYDZPIGZVFYDLX-YDZHTSKRSA-N 521.507 5.327 5 40 KKBB C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 102975762 JHLCHDCDQDOPPG-MRXNPFEDSA-N 576.612 5.279 5 40 KKBB Cc1ccc(NC(=O)[C@@H](OC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)c2ccccc2)c([N+](=O)[O-])c1 104347978 LJZDPRZUOQPXDA-HRLWHVNWSA-N 552.671 7.281 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6OC)o5)c(=O)n42)c2ccccc2CC3)cc1 104656913 YKZJEQBBRDKXMK-NBQDTTAVSA-N 591.645 5.504 5 40 KKBB Cc1cc(-c2ccc(C(c3c(C)nn(-c4ccccc4)c3O)c3c(C)nn(-c4ccccc4)c3O)o2)c([N+](=O)[O-])cc1C 108423083 RUNNNURVNLQHNQ-UHFFFAOYSA-N 575.625 7.051 5 40 KKBB Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)C(C)C)cc1 147113437 LXDPEILMRZHZDQ-QHCPKHFHSA-N 579.708 5.322 5 40 KKBB COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1OC 150387832 IFJAAWXEZQOTRU-AREMUKBSSA-N 683.772 5.654 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)ccc5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1 150427165 JBQAPADICHJJBM-ZPMAPHDVSA-N 680.580 6.577 5 40 KKBB O=C(c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 150441026 WRWDXTPZIZYFOL-AVQUNYNYSA-N 672.119 7.394 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c2=O)=N1 164185277 KPQGMGQXZNCYIL-DDIUQFJASA-N 643.718 5.083 5 40 KKBB COc1ccc(N(CC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 223289912 IGTIZYQRYDRTAA-NRFANRHFSA-N 569.680 5.425 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223813809 BPVABDCULGWKRQ-SANMLTNESA-N 663.168 5.623 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccnc1)[C@@]21C(=O)Nc2ccccc21 229944361 BGAHJQLDWMQREK-UODPJZIASA-N 556.578 5.236 5 40 KKBB CC(=O)O[C@@H]1C[C@@H]2CC[C@H]3[C@@H](CC[C@@]4(C)[C@@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1 253588060 GVEAYVLWDAFXET-LLLYHUPPSA-N 572.875 6.111 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260891358 GBJDJPSPIZGYFG-PSXMRANNSA-N 767.732 7.503 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261016103 VGZFTCCMIDHCDF-OAQYLSRUSA-N 631.151 5.093 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl 408565505 CCFNMGSEFJFEMW-XMMPIXPASA-N 638.371 7.733 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c1)[C@H]1CCCN12 408566802 OTSAWQZRBMEOAX-LADVCJOISA-N 542.394 5.766 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)c(Cl)c1)[C@H]1CCCN12 408569657 WVAUIZVNECPLKQ-YUHKXCSQSA-N 507.949 5.113 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)cc1 408573430 SUHNINBTYDCHIS-RUZDIDTESA-N 508.575 5.803 5 40 KKBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(I)cc1 408607804 UXJDZZJXUHOPKA-VZUCSPMQSA-N 549.321 5.082 5 40 KKBB COc1cc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)cc1Cl 408625637 VTHBQLPHBFWMCG-UHFFFAOYSA-N 584.434 5.070 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408678199 CTGRAKDLBJNRLN-UHFFFAOYSA-N 608.048 7.369 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408769485 MVWQDRMAOFTMSO-QVPVGFNESA-N 946.352 6.274 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408822193 AQKSQVCGDCHDGA-GRXWAMFVSA-N 717.425 6.663 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408827290 JAPJBAQBIKPOPA-KUSDHMTMSA-N 639.661 5.642 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916769 HEFYCYSRCPRMJN-SRZZPIQSSA-N 649.273 6.844 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 409099509 TWZWMIIZMQQSID-MFKUBSTISA-N 703.511 6.251 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 409181083 VSHAASJPODPVME-AREMUKBSSA-N 575.360 6.483 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409200541 IBCAXFXJMJNTDF-YDZHTSKRSA-N 510.955 6.467 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409222615 CKHSRDPECSPTPW-ZMOGYAJESA-N 551.552 5.387 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409272278 FSMXTWBDLWTQJK-VXLYETTFSA-N 503.319 6.081 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C 409340635 ABJKJOMCMVRRRH-FQEVSTJZSA-N 551.456 5.371 5 40 KKBB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] 1080726 KMLCKQPYQHAFJH-UHFFFAOYSA-N 500.477 5.201 5 40 KKBB O=C(COC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)c1ccccc1 12524370 LEOGOJPWBIZCFI-UHFFFAOYSA-N 501.539 5.267 5 40 KKBB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 12559660 KOSDZVKENJHQKY-MKBYXFKCSA-N 516.941 6.593 5 40 KKBB Brc1cc2ccc3ccccc3c2cc1/C=C\c1ccc2cc(/C=C\c3cc4c(ccc5ccccc54)cc3Br)ccc2c1 95100333 JGWNYDNOPYEIHK-NFLUSIDLSA-N 690.478 13.318 5 40 KKBB O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc2c(Br)cccc12 100957686 CLEMHQGRHOFKHY-UHFFFAOYSA-N 513.398 5.761 5 40 KKBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 102989083 NMBHNAYFXNHPQJ-UHFFFAOYSA-N 537.638 5.941 5 40 KKBB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305748 WKWSAYAUMLSIJN-UHFFFAOYSA-N 550.040 6.482 5 40 KKBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222987286 SHBAOMJBSLJBAF-HNNXBMFYSA-N 512.459 5.467 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223877921 HHVRDXRHNWZHCS-GJBXTBEHSA-N 776.139 7.622 5 40 KKBB CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 224786648 NMQDWUMLNXEQOK-FIRIVFDPSA-N 594.718 7.977 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)N(c2ccc(C)cc2)N=C1C 248097013 IHHQXWNDVVPVIP-UQWUFBTJSA-N 509.566 5.373 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408565706 LTIXNVKCZXXZOM-NUWWLQTNSA-N 582.426 5.230 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408566100 DWJSCQORBNDHFL-RUZDIDTESA-N 559.475 6.970 5 40 KKBB Cc1ccc(COc2ccc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(C)cc3)cc2Br)cc1 408569852 JYWYZPJMLAQCOB-VWLOTQADSA-N 553.482 6.644 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1ccc(F)cc1 408571107 NPHDESVWJGCTNG-HSZRJFAPSA-N 561.408 6.306 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 408577388 ZEDUKYGVTNXPMB-OZXBBSPYSA-N 558.432 5.750 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408613170 XTUHOTNCARSLPN-UHFFFAOYSA-N 549.321 5.697 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(Cl)cc(Cl)c3O)c2=O)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729174 ABHZBVMTEVIMQC-UWRMONIRSA-N 684.554 5.806 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(C)cc1 408821626 JMUIUPLSLBFLAI-HZHHUVPKSA-N 619.699 5.747 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)cc2)n2c(s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 408919759 CANBUZJXEGRXPW-HRISCLKESA-N 653.764 6.402 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC 408933490 BAEDQPJDOLPEBZ-UONGPDOGSA-N 867.456 5.512 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c2=O)=N1 409043232 DJZKZYOWBUWVEA-ASUJOLEISA-N 605.672 5.439 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4Br)C(=O)[C@H]32)c2ccc(C)cc2)cc1 409047617 PBZQJVFULKXJIB-TUJIQRHUSA-N 555.428 6.398 5 40 KKBB COc1cc([C@H](c2c[nH]c3ccccc23)C2C(=O)OC(C)(C)OC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409119162 RAMUPAZHNHWAHI-XMMPIXPASA-N 564.978 5.901 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409141746 JXCZEHHTIMRVJP-OAQYLSRUSA-N 575.489 5.135 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 409168241 LVNMRVDXVVHUPL-OEAKJJBVSA-N 503.536 5.157 5 40 KKBB COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409181591 DCDACWMLMZAYKZ-UHFFFAOYSA-N 690.275 7.850 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409204581 APQDFPYPGIBHKJ-AWQFTUOYSA-N 619.837 5.882 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)c1C 409272629 NPXDRECBSBQNBK-FSJBWODESA-N 548.533 5.587 5 40 KKBB Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3cc(Oc4ccc(Br)cc4)cc([N+](=O)[O-])c3)nn12 829541 MCZGLHMMTQVBLU-UHFFFAOYSA-N 544.365 6.420 5 40 KKBB C[C@@H](/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1)c1ccccc1 5615091 VFKUFQIZGDLVQP-GBGZMHAVSA-N 535.478 8.843 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1OC 8401031 LRAGYXRGNKCFFK-IYVASWNSSA-N 718.504 6.289 5 40 KKBB O=C(Nc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1)c1ccc(Br)cc1 9056523 PRKRDEBBZYTSNW-UHFFFAOYSA-N 506.312 6.122 5 40 KKBB COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC 96006013 YXSLJKQTIDHPOT-XELUXCQFSA-N 929.161 8.066 5 40 KKBB fda CCOC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(C=CC(c3ccc(C(C)C)cc3)=NN2c2ccccc2)S1 97951752 PTGFEBBVXMWZJD-GDLZYMKVSA-N 541.633 6.283 5 40 KKBB O=C(Nc1cc(Oc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12 98042865 AZLCSBAQOSYGRI-UHFFFAOYSA-N 529.474 7.873 5 40 KKBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1cc(=O)c2ccccc2o1 103108499 ZHAHMBYIYSKUEO-JOCHJYFZSA-N 523.295 5.001 5 40 KKBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105312719 XTBIUCPRYYXYEL-UHFFFAOYSA-N 531.594 5.529 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc(OC)c1 111469850 HPGUUTJVIMWQEU-CLNXTWJPSA-N 607.644 5.112 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(NC(=O)/C(=C/c2c[nH]c3ccccc23)NC(=O)c2ccccc2)cc1 113626884 JMSARYDUTLXPLF-LQNQUEJISA-N 605.676 6.525 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c2=O)=N1 150363058 PDDQINPLBQOQMW-PRLWALMFSA-N 659.493 5.944 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc([N+](=O)[O-])cc1 150465040 SWGUGTJYKMHCBY-FBHDLOMBSA-N 624.347 7.313 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cc(Br)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n31)c1ccccc1CC2 163191779 DWJWYTXQTAHAJW-XDYZZPCYSA-N 741.576 6.707 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 164539187 HPFKXNQVQGFTMU-DFXMODJXSA-N 678.679 5.553 5 40 KKBB O=c1/c(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 164754434 VZESBXLLWJBNOF-KOHOJCOXSA-N 668.544 6.708 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223505477 NBMKTQZBBQHNFL-AREMUKBSSA-N 635.570 5.819 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl 224066115 ZHEBUOOAKWTQIO-CLJLJLNGSA-N 550.040 5.636 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225150871 RSVGSKLEWVTDJA-JOCHJYFZSA-N 631.151 5.094 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225267096 QNTPASZVZDIFRM-JGCGQSQUSA-N 628.751 5.347 5 40 KKBB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1OC 225309606 PMZDLVUYGJUXKB-SVBPBHIXSA-N 559.604 5.020 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 225635579 HVSOBZKGZCXMFZ-WUFINQPMSA-N 540.649 5.399 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)C1 260927600 ZCUHWIAVXUBRDS-NELHGCTQSA-N 588.133 7.563 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 408564380 CMCHXCHQZOMPNL-GVPYKBAUSA-N 532.811 5.794 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 408565417 BVLZZFZKYOSOIX-AJZQZXEDSA-N 525.964 5.025 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)[C@@H]1CCCN12 408566335 NNYFBZOOFHUSCU-FCRYVSRXSA-N 524.404 5.627 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1C 408572471 RFOCITYOXOXVJJ-DEOSSOPVSA-N 561.466 7.328 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408572601 RKXOVVLKHMQZFH-DEOSSOPVSA-N 638.371 7.733 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 408573428 STZQYWARKWVJPL-VWLOTQADSA-N 585.480 6.045 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc2ccccc12 408573449 SWLZJPDXQSRURI-NDEPHWFRSA-N 526.618 6.427 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(F)cc3)cc2Cl)cc1 408574081 UPPKXAKMVKFIMY-QHCPKHFHSA-N 547.439 7.019 5 40 KKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 408710487 VCQLSKDYHAIOFX-UHFFFAOYSA-N 549.568 5.849 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408871959 IIVKALHAMWLHEU-MSXFZWOLSA-N 603.878 7.225 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 409032748 NDWRZASTCBJCFC-UQDCTOEPSA-N 622.099 5.717 5 40 KKBB COC(=O)C(=Cc1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC 409080489 IECAFULLFBDOSF-UHFFFAOYSA-N 583.107 5.660 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409102675 VWCXHLOXRCGXGZ-QPJBPQEWSA-N 591.089 5.234 5 40 KKBB Cc1ccc(-c2cc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c3ccccc3n2)cc1C 409177012 APPSQQBMZHXBMC-UHFFFAOYSA-N 504.542 7.576 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409177299 CVNAHLQENCIQSF-UHFFFAOYSA-N 673.169 5.817 5 40 KKBB COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409181839 FVIZZKBCSPXKFU-UHFFFAOYSA-N 627.820 7.514 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)C1=O)Nc1ccc(I)cc1 409255066 GZRLLJZTQJHNIX-NKVSQWTQSA-N 674.385 5.002 5 40 KKBB CCOC(=O)C1=C(n2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccccc2)S[C@H]2CCCC[C@H]12 2310750 WAOKOPMMMKSWFQ-UGKGYDQZSA-N 537.645 5.380 5 40 KKBB O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)OC[C@@H]1[C@@H](COC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1(Cl)Cl 3201501 BILUXFIFILGVIY-ZIAGYGMSSA-N 566.177 5.101 5 40 KKBB CCOC(=O)C(CCCCCCOc1ccc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)OCC 59663783 KKYGVLAJPRVMAB-UHFFFAOYSA-N 563.647 6.913 5 40 KKBB CC1(C)CC2=NN(c3ccccc3)[P@](=Nc3ccc([N+](=O)[O-])cc3)(N3CCOCC3)C2=C(N2CCOCC2)C1 97983928 QTDVXQJZMIPUDR-LDLOPFEMSA-N 550.600 5.830 5 40 KKBB C[C@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-])c1ccccc1 100308816 BLAKCWSWWVXMHK-KRWDZBQOSA-N 535.453 5.586 5 40 KKBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1ncc(Cc2cccc(Cl)c2)s1 100925012 CDTUXNKMXJRKHQ-UHFFFAOYSA-N 563.064 6.274 5 40 KKBB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5c(Cl)cccc5[N+](=O)[O-])cc4)cc3)C(=O)[C@@H]21 101460304 IBBQLBXXABFNKA-OXCRQBJNSA-N 558.974 6.099 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OCC)cc2)cc1 102928587 DMGUHELCQUBQIA-NJTFOPCHSA-N 551.643 7.229 5 40 KKBB CC(C)(C)NC(=O)c1sc2c(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cccc2c1Cl 105223346 LSZXFMIOPGCCDD-WYMLVPIESA-N 523.998 6.903 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1 105250985 WZWNFYGHPWQHKM-UHFFFAOYSA-N 569.283 6.844 5 40 KKBB CCOC(=O)[C@H]1C[C@H]1C1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)C(CCC(=O)OC)=C4C)c(C)c3[C@H]1C[C@H]1C(=O)OCC 150463485 CXTOTNWZIVKHDT-KJHMZRPRSA-N 762.904 7.718 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 224076663 PXTIOXPPJSXTFC-UIOOFZCWSA-N 551.024 6.106 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 225084459 NRAVZGVOACBCHM-CONSDPRKSA-N 591.649 6.444 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225670071 JRGXRKUYDPIZGX-AOMKIAJQSA-N 526.486 5.857 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247357910 YLFWWWSZUVYERX-LWSSLDFYSA-N 533.462 5.012 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc2ccccc12 408554752 DBSORTITWGKTTF-UHFFFAOYSA-N 540.357 6.552 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408566647 FVUOIHMQVMQENR-RUZDIDTESA-N 559.475 6.970 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(Cl)c1 408569205 JCKAWDOCHWLJGZ-DEOSSOPVSA-N 638.371 7.733 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(Br)c2)n1-c1ccccc1 408570379 LGQPKGDDORNNLD-MHZLTWQESA-N 575.488 7.181 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1ccccc1 408577815 ZZWMBMSIMIVYTI-HSZRJFAPSA-N 515.422 6.572 5 40 KKBB CCn1c(S/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)O)nnc1-c1ccc(Cl)cc1 408632383 FJEUIWGMALAZNQ-HAHDFKILSA-N 536.997 6.323 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633215 IZZMLSDWGCEOKG-NDENLUEZSA-N 531.377 6.658 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4[C@@H](C3=O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C3(Cl)Cl)cc2)cc1 408642270 MPVSPYORGXXVOL-VVYIRJGBSA-N 786.235 6.809 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 408757982 SYPYMAQFKFBIIH-UHAPOFRNSA-N 757.606 6.428 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 409035613 QIVGGJYJRUNYJM-KEPJHFNWSA-N 680.577 6.135 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 409079339 FLWKWWMDBSCNSA-UYXCRFNSSA-N 676.751 5.768 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc3c4c(cccc24)CC3)N1Cc1ccccc1 409112142 KJBYXPJAEGNTHR-XIFFEERXSA-N 525.608 7.208 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409168408 RCODHFAHMRKRPB-UHFFFAOYSA-N 693.587 6.162 5 40 KKBB Cc1nn2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 9347745 AHVRKPDFNUFEBO-UHFFFAOYSA-N 510.019 6.295 5 40 KKBB CC1CCN(CC(=O)Nc2sc3c(c2C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H](C(C)(C)C)C3)CC1 15946694 OOEBAISIBCNEQL-SFHVURJKSA-N 512.676 5.730 5 40 KKBB COc1ccccc1-n1c(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)nc2cc([N+](=O)[O-])ccc21 51103496 TVCRQJBDJYILMJ-UHFFFAOYSA-N 537.907 5.740 5 40 KKBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(C(OC(=O)c2cccc([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)cc1 97983282 VPCMOURWLGQNDU-UHFFFAOYSA-N 587.385 5.697 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]23)cc1 98006817 YUBUBTHBZIIYES-GMQJOBGYSA-N 662.698 6.801 5 40 KKBB C[C@@H](c1ccccc1)N([C@H](C)c1ccccc1)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 100009647 LKZPDRCMCSBQFN-WMPKNSHKSA-N 539.615 11.057 5 40 KKBB in-vitro CCC(C)(c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 100353174 BKPKZZRWIBMUKW-UHFFFAOYSA-N 612.638 5.754 5 40 KKBB CO[C@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 100369728 BMGQWWVMWDBQGC-IRVIHZCFSA-N 570.649 5.907 5 40 KKBB in-man Cc1ccc(C(=O)Nc2sc(-c3cc4c(=O)n5ccccc5nc4n(C4CCCC4)c3=N)nc2-c2ccc(C)cc2)cc1 101903599 HUBIPZYBSFMBPG-UHFFFAOYSA-N 586.721 6.903 5 40 KKBB CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 102652293 QZCLECMXDQFQAD-RUZDIDTESA-N 615.634 5.845 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccccc1[N+](=O)[O-])(N1CCOCC1)N(C)C(c1cccs1)=N2 102940868 UPXACLPKZJGZHD-QNGWXLTQSA-N 547.581 5.495 5 40 KKBB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1Br 103097485 SQTBYAQCDUMDPS-UHFFFAOYSA-N 539.264 5.310 5 40 KKBB COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2NCCc2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 105052144 OBHZRTGKSFHDPU-UHFFFAOYSA-N 619.518 8.340 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 108280038 GYVVFSBHDINCMR-UHFFFAOYSA-N 528.952 6.299 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccccc1 111465365 ZIGBSXLBRYPWMX-CLNXTWJPSA-N 607.644 5.112 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 150430059 RVQKMMACMOUOJV-UOVKPGFYSA-N 692.662 5.273 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223507336 BVXUPMDGCDSJRO-UVMFRMCBSA-N 707.249 6.315 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C(C)C 224104131 XLCQEZOPSWDZDL-SXOMAYOGSA-N 540.649 5.861 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224358359 YMARPSJUZMCWQA-AREMUKBSSA-N 554.112 6.036 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3nc4ccccc4s3)cc2)cc1 224764816 KVXAXIWMIFBTMO-FQLXRVMXSA-N 606.758 7.719 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225180964 NXKKDOZTDZBTTO-JOCHJYFZSA-N 657.587 5.419 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408565635 LPZGZXVPPSYCID-BQVXCWBNSA-N 607.288 5.865 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1-c1ccccc1 408566784 GDGOSFIVPGXCQJ-QHCPKHFHSA-N 515.422 6.572 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 408567082 GINGXFXTOIUORA-QHCPKHFHSA-N 547.439 7.019 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1ccccc1 408571577 PCFLABRTMDYREU-HSZRJFAPSA-N 594.318 7.334 5 40 KKBB CCOc1cc(CNc2ccc(Br)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408611097 QGUABVLJXAWCTQ-UHFFFAOYSA-N 550.247 7.018 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408650315 MIAMCFKOMJAKQP-DZUWIXTPSA-N 694.656 6.428 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733746 PSKTVRZEYUVTLM-UPWSPCOFSA-N 571.655 5.398 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408769775 OSNWOKVPNQFZMF-HWMKKPCCSA-N 773.456 5.828 5 40 KKBB O=c1/c(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408771243 GFTMWUQPIONOBY-SODCYNRPSA-N 640.548 7.113 5 40 KKBB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408777046 UHABXMAYFPDAKQ-ORVZPOCUSA-N 584.492 6.497 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408826224 KYZSVBWWCXSTFL-PRLWALMFSA-N 696.551 5.586 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408842643 PIOCMXHGEIANDO-ZRELAVNMSA-N 638.407 5.816 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409141842 WXYWEYORUJOZDK-UHFFFAOYSA-N 558.827 5.706 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc(Cl)cc4)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409141992 ABQQVKVQOUNJFL-PIXWUVMMSA-N 604.084 5.247 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 409153451 IBSRNZGFCUQYII-RGVLZGJSSA-N 513.915 5.192 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 409274051 UJZHEDIOSCUQKD-KMCFWPMWSA-N 673.191 5.742 5 40 KKBB CC(C)Cc1nc2sc3c(ncn4c(SCC(=O)Nc5ccc(Cl)c(Cl)c5)nnc34)c2c2c1CCCC2 2590525 YQCLHBQRBKVWHX-UHFFFAOYSA-N 571.559 7.002 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 9330105 FIYSBLSOTYOTCA-HPQIJTKRSA-N 515.525 5.146 5 40 KKBB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(SCc5ccc([N+](=O)[O-])cc5)ncnc4c23)CO1 20266354 WFRXHOYEYMXIAW-UHFFFAOYSA-N 523.640 5.128 5 40 KKBB C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H]3C=C[C@H]4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@H]1[C@H]2C 34257514 ULNDHEVVJSRKCY-ZDLCRNMYSA-N 509.643 6.317 5 40 KKBB CC1CCN(c2ccc(C(=O)N3CCN(c4c(F)c(F)c(Cl)c(F)c4F)CC3)cc2[N+](=O)[O-])CC1 57317335 ARQBIJZMBHJLER-UHFFFAOYSA-N 514.907 5.003 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(Br)cc3)N3C=Cc4ccccc4[C@@H]3[C@@H]2C1=O 101064611 RETAXBVUKMOBNA-VPBXCIAMSA-N 558.388 5.064 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1cccc2ccccc12 101176866 XTZMAHWQSRZFEG-MDVFONAFSA-N 520.589 5.225 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 102744269 XROAXZMEDVJKCF-HKBOAZHASA-N 502.285 5.092 5 40 KKBB O=[N+]([O-])c1ccc2c(CSc3nnc(COc4ccc([C@@H]5CC=CCC5)cc4)n3-c3ccccc3)c[nH]c2c1 103754127 CQTFCRKJKKGIOU-OAQYLSRUSA-N 537.645 7.352 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C)C(c1ccc(F)cc1)=N2 150428977 GEVQVUJMTDLXEM-RWYGWLOXSA-N 638.438 6.335 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224118874 VJGXQAOCAYXTJP-YTTGMZPUSA-N 628.751 5.265 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224529151 NSUHYGKRIZDFEM-VWLOTQADSA-N 574.461 5.455 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224722479 VWLQMOVLEGKVPK-AREMUKBSSA-N 679.623 5.994 5 40 KKBB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C 224769789 BQGSDVXPNDOXTM-SVBPBHIXSA-N 529.691 6.756 5 40 KKBB COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224793813 DGKQMSRIYOAOKV-KYJUHHDHSA-N 608.701 7.365 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225461460 NNDGRVKOUCIBOM-GDLZYMKVSA-N 614.595 7.224 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225654201 FPFZTXWXIYKGRK-QFQXNSOFSA-N 663.168 5.622 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225708414 IUWOBWLUDPSBJH-RXFWQSSRSA-N 714.068 6.789 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl 408569544 JLNXDOUQJTZAOE-SANMLTNESA-N 573.502 7.279 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 408577264 YWSLOSOKAVGLJG-QHCPKHFHSA-N 624.344 7.343 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408633662 OKPREBOYJCABIP-XKZIYDEJSA-N 556.984 6.022 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408638399 CKADXGFENXIBBY-QWQRAZBHSA-N 598.011 5.334 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408732970 BZDGPOXCBWEABA-VPVLBGOXSA-N 811.392 5.493 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408822426 BPRWYTAXVPPDHS-NULZLWRNSA-N 648.137 5.646 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)c1ccc(Br)cc1 408848891 WXBTYLFQLFAKAT-YBFXNURJSA-N 627.856 7.188 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)Nc1cccc(C(F)(F)F)c1 408867093 JHPMAFVKSHKCQW-JJFYIABZSA-N 683.402 6.472 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC 408927269 VSKYLGPPHFNKEW-KFOJKGMOSA-N 652.729 5.035 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 409039606 HDFLMZVTSSWBBK-UAMLYEQYSA-N 692.588 5.835 5 40 KKBB Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1C 409175725 BEIGHZZIWNYDGY-MUUNZHRXSA-N 529.570 5.825 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409188782 ALJAFKURJBFQRI-CCVBWGSMSA-N 742.066 6.992 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1Cl 409268902 ZHXVIODOEFTFBA-LSHDLFTRSA-N 614.976 5.641 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409269037 DEONHAWPADAJPO-CVKSISIWSA-N 561.616 5.864 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409271866 DHUTZCNEPLUFGW-ZMOGYAJESA-N 594.558 5.378 5 40 KKBB O=[N+]([O-])c1c(O)nc(/C=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)nc1O 409340243 STLPSDDDXDTMOH-WAYWQWQTSA-N 557.582 5.724 5 40 KKBB CO[C@@H]1C=CO[C@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C 1529012647 NZCRJKRKKOLAOJ-FIYVJVQDSA-N 785.891 6.158 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cnn4c3N[C@H](c3cccs3)C[C@H]4C(F)(F)F)cc([N+](=O)[O-])c2)cc1 1867700 AEIBMPISDLXFEC-GMAHTHKFSA-N 573.553 6.956 5 40 KKBB CCOCCCn1cc(OC(=O)c2ccc(F)cc2)c2c1nc(-c1ccc(F)cc1)n1c3ccccc3nc21 97954966 YQCAPBGZYCBERJ-UHFFFAOYSA-N 526.543 6.428 5 40 KKBB Cc1ccc(NC(=O)[C@H](Sc2nnc(-c3ccncc3)n2-c2ccc(Cl)c(Cl)c2)c2ccccc2)c([N+](=O)[O-])c1 103079475 UWXLIZLTONZMOV-RUZDIDTESA-N 591.480 7.325 5 40 KKBB C[C@@H]([C@H]1CCCCN1)n1cc(C(=O)c2cc([N+](=O)[O-])ccc2I)c2ccccc21 117827891 KROKGJJZVBXDAL-VBKZILBWSA-N 503.340 5.088 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)c1 150393250 XBHUIQGIMGPNDR-PKYOQBLNSA-N 627.078 5.704 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 164513909 SPWZSIHBJJIKAP-DAIZXWHWSA-N 647.709 5.431 5 40 KKBB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223059816 DAOOUHSSLSBREM-IBGZPJMESA-N 681.993 5.076 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224724157 YINYARZDEPKVHW-JOCHJYFZSA-N 631.151 5.012 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224765129 YHELDBCHFXKXDB-MUUNZHRXSA-N 531.678 5.527 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N23)c1 229917253 WPRUOCSKEYLTNL-CTMYTVLESA-N 571.589 5.460 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261017082 HRYKXPJOMZFGLX-JQJBXXCASA-N 725.239 6.454 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 261114920 YIAMRCGWUMVTQC-JGCGQSQUSA-N 642.778 5.653 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408732968 BZDGPOXCBWEABA-UTWPHBJQSA-N 811.392 5.493 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6cc([N+](=O)[O-])ccc6OC)o5)c(=O)n42)c2ccccc2CC3)c1 408771092 DDMDGLMHKSIXSL-MRWVFDTMSA-N 591.645 5.504 5 40 KKBB COc1ccc(C(=O)Oc2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)cc2)cc1 408781112 AJTUBKDNSKVNJP-GSTVVXAASA-N 615.667 5.455 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408826646 IJPQYAXPDBVLLX-LMSRTUJASA-N 674.053 5.490 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 408906302 GCTDRBYQHZXQSL-UHFFFAOYSA-N 500.747 5.608 5 40 KKBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 408921814 XWIWNDSZNCZLPJ-UHFFFAOYSA-N 615.089 5.191 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409103461 WOWMZFPOFLKZNS-DAIZXWHWSA-N 664.809 6.325 5 40 KKBB Cc1c(Cl)cccc1NCc1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409116299 NHJYRMVLXPCFIE-UHFFFAOYSA-N 540.639 7.273 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409143282 LMFUARNKGJPTNY-PCLIKHOPSA-N 504.564 5.852 5 40 KKBB COc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c([N+](=O)[O-])c1 409177887 CPAMUBFCVDCQCD-HHHXNRCGSA-N 581.493 5.093 5 40 KKBB Cc1ccc(Cl)cc1N1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O 409179360 MGVXDWPTNAFDJQ-MHZLTWQESA-N 554.942 6.138 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 409181245 ABZOLMRYQHKCCG-ZMOGYAJESA-N 601.559 6.652 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409192279 WEKBFWRBLIHOBG-OEAKJJBVSA-N 510.955 6.467 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 409218296 HTRRWXOIKMFZHT-SSDVNMTOSA-N 607.360 7.088 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 409276077 YFQKZAYENUQFTO-CVKSISIWSA-N 575.599 5.239 5 40 KKBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 409306343 ZNRXFWFLFRTENI-KTAJNNJTSA-N 513.131 5.615 5 40 KKBB O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 1005668 OAULKNKGHLPSEN-UHFFFAOYSA-N 518.505 6.041 5 40 KKBB Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2cccc(Cl)c2)c1 6442754 JFMPMQUVMOEWSI-QGZVFWFLSA-N 508.003 6.232 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@H]1C(c1ccccc1[N+](=O)[O-])[C@@H]1C(=O)N(c2ccc(C)c(C)c2)N=C1C 8440252 OOAXLMYNIIUFQZ-VSGBNLITSA-N 537.620 5.990 5 40 KKBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cccc(C(F)(F)F)c2)NC(=S)N1c1ccccc1 12546734 YCFLSZFDRPDDRL-JOCHJYFZSA-N 512.513 5.962 5 40 KKBB aggregator O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 12546898 BRNHPYNFAQRWCR-QHCPKHFHSA-N 506.408 5.516 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1 16611053 QFZBVUXYYXJFST-CQSZACIVSA-N 508.987 6.697 5 40 KKBB O=c1c2ccccc2nc(SCCN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1-c1ccccc1 33354073 YZLOHBBRWKHINX-UHFFFAOYSA-N 555.582 5.227 5 40 KKBB O=c1sc2c(n1-c1ccccc1)S[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H]2c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl 100872059 RIYNVJGXIKZELI-XNUJVAEZSA-N 577.127 7.692 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccc(Cl)cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 102870164 UTSKPBSVUGXZSY-WFPUBZAHSA-N 590.035 6.494 5 40 KKBB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(C)nn(-c2ccc(Cl)cc2)c1O 102975089 AVDKNEUFRVUSTM-UKILVPOCSA-N 550.402 6.272 5 40 KKBB CCOc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc3sc4c(c3c2=O)CCCC4)cc1 102997888 VAPDXCLAKODBHH-HNNXBMFYSA-N 585.107 6.406 5 40 KKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105305784 PLKBLQWJYJVXED-UHFFFAOYSA-N 550.040 6.482 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3cc(-c4nc5cc(C(C)C)ccc5o4)ccc3Cl)cc2[N+](=O)[O-])CC1 105355170 FFACUYWCDITEHP-UHFFFAOYSA-N 533.028 7.668 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 106432676 MXBSBGCZTLRBHF-UHFFFAOYSA-N 503.221 5.218 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163211527 LKOXSMOASZFJET-KEPJHFNWSA-N 644.934 6.903 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 164200414 XOHSAJAMDOOTGJ-OIUASMPBSA-N 722.614 5.845 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224310534 HKZSXMCNYKQZRC-YTTGMZPUSA-N 711.212 6.066 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 224715795 WHLWIYRUTBUBAX-LOYHVIPDSA-N 547.640 7.058 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 224725197 JHORIGNZPAXXEQ-KYJUHHDHSA-N 548.624 7.528 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 224792935 OLVZJVQJYOBEEB-VMPREFPWSA-N 595.662 7.486 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247357925 YLFWWWSZUVYERX-YCAMKHIRSA-N 533.462 5.012 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2Cl)C1 260916503 JFOZYGXJNYIJSE-BOOGVAPPSA-N 587.149 7.093 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1cccc(Cl)c1 408572380 QZVPUUMFRBIBMW-HXUWFJFHSA-N 515.791 6.580 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408638099 BVIDWENWXFQLQN-UHFFFAOYSA-N 555.930 5.577 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408672135 ZOXMQXUMTKLFQT-HMZNYUFESA-N 642.495 5.746 5 40 KKBB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@H]12 408720262 KLPQNXYFYHXWMR-TVNKHIRZSA-N 536.584 5.709 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408782269 GOOGZWMXBNDQJK-TVRVIFGSSA-N 864.556 7.913 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1Cl 408832164 RLJJCNWCZXJNRU-YVBHXKDBSA-N 613.095 5.363 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1 408848278 SUMWSVPSSDAOBU-HRDPZVOISA-N 690.778 6.159 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)o1 408865786 FQEFUZQOMBKEFU-JAIQZWGSSA-N 547.467 5.557 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 408878786 BQDXGOKZKIBIHS-JAIQZWGSSA-N 547.467 5.557 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 408917556 XBFCHSRNQNGROB-YDZHTSKRSA-N 659.458 5.770 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 408927245 VRVBYJGRZUCKIX-DDIUQFJASA-N 631.739 5.847 5 40 KKBB COc1ccccc1N1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409062092 NGYXEQCQFQUBOW-XKZIYDEJSA-N 526.954 6.085 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccccc1OC 409105930 KBLPRTQJOGKQDI-LAUBZIAYSA-N 649.194 5.825 5 40 KKBB O=C(/C=C/c1ccccc1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O 409189194 FFLATBHBTUXOHU-KPFFVQBGSA-N 598.203 6.083 5 40 KKBB COc1cc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)ccc1OC(C)=O 409195028 OSFYJITYPOHDCN-YEJNLHJGSA-N 686.265 6.017 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409252215 RHADDBKNBPIHAW-AWQFTUOYSA-N 627.475 6.507 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409270751 AFPIINWWFVGQGO-FMCGGJTJSA-N 571.380 5.995 5 40 KKBB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccccc5)cc([N+](=O)[O-])c4)c(Cl)c3N2)cc1 1818949 SEDJFKVBFJEBFV-FGZHOGPDSA-N 587.942 7.158 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 2327880 WCAMSUCLLGQXNT-ALBQUZEBSA-N 531.524 5.044 5 40 KKBB Cc1nn(C)c(Nc2ccccc2)c1C(c1ccc([N+](=O)[O-])cc1)c1c(C)nn(C)c1Nc1ccccc1 12555474 MHHWBQDVZGLOIH-UHFFFAOYSA-N 507.598 6.346 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1 13847553 XVAZEYZIFFGKGU-FMIVXFBMSA-N 513.937 7.585 5 40 KKBB COCCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 33749911 GRJFAINEHRGPED-QOENCPKGSA-N 514.619 5.023 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc4c(c3)OCO4)CCC[C@H]2[C@H]1c1ccc2c(c1)OCO2 97983837 VXGNXCVRIIXHSM-VUDXKODHSA-N 610.623 5.326 5 40 KKBB CCCCSc1ccc(N2C(C)=C(C(=O)OC)C(c3ccc(Cl)c([N+](=O)[O-])c3)C(C(=O)OC)=C2C)cc1 98005169 IZSORZHEVBRLKE-UHFFFAOYSA-N 545.057 6.638 5 40 KKBB O=[N+]([O-])c1ccc(C(c2ccc([N+](=O)[O-])cc2)(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1 100085788 XVFUQPAZKCFNTH-UHFFFAOYSA-N 500.423 5.702 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cc([N+](=O)[O-])ccc1Br 100310599 KKNQPXASACVPRV-UHFFFAOYSA-N 592.225 5.760 5 40 KKBB CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1 100374708 XKNJUEPROJHYJR-MGIIHASJSA-N 546.712 6.361 5 40 KKBB Cc1ccccc1OS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)Oc3ccccc3C)ccc12 102415322 ROUAORAAJTXFRT-UHFFFAOYSA-N 536.583 5.098 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc23)cc1 102628798 YMMCBEWKLWCKMU-UHFFFAOYSA-N 615.063 7.273 5 40 KKBB Cc1nn(-c2ccccc2)c(O)c1C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1c(C)nn(-c2ccccc2)c1O 108423468 VZKHXIAVCDNQBO-UHFFFAOYSA-N 547.571 6.434 5 40 KKBB O=c1/c(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163233047 IQEIFXOXAQOGHS-KHVZVQPESA-N 761.701 9.114 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC 163280660 ICPFDOCBCXAIGP-MMPQDEBWSA-N 692.706 5.953 5 40 KKBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223942390 NFFGIMGOOSZQTB-MRXNPFEDSA-N 524.470 5.611 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225214292 VXPLTWNNCMHFBB-JOCHJYFZSA-N 675.602 5.203 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225599915 KBJLIHYRIHYFLU-HFZDXXHNSA-N 679.623 6.136 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260887047 PYZTYTDRHCPPQH-JGCGQSQUSA-N 628.751 5.263 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260962571 YVAAZNIRKGZFNU-UUWRZZSWSA-N 721.276 6.481 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 260983288 BJKSZALBAYJCOH-MUUNZHRXSA-N 649.597 5.388 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1ccc(Cl)cc1 408569623 JXHBEHCHXPTHIT-HSZRJFAPSA-N 549.867 7.225 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Br)c1)[C@H]1CCCN12 408569641 WUSXEOSFZLJTND-AWTIUKJOSA-N 603.300 6.389 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 408576603 XUMCDASCFMGROP-NDEPHWFRSA-N 561.063 7.080 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408643931 QGRCWHBLEPXXBC-ZRZAMGCNSA-N 596.423 6.109 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCC1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408648510 WNQFGNOGISEIDW-UHFFFAOYSA-N 542.331 5.083 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408659609 WBWSMSVSJNHWPT-OVWYZSLCSA-N 634.428 5.168 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408690170 ZXGGXXUFUBIDJP-UHFFFAOYSA-N 795.858 7.261 5 40 KKBB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408811980 MEEPZYVDMSXKJQ-BKUYFWCQSA-N 541.379 6.186 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408932628 YJNLUXCFYUSAPV-UUYOSTAYSA-N 663.421 5.601 5 40 KKBB CCOc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)N(C)C2=S)cc1 409032223 LTOGQLMHHSOSDG-UCQKPKSFSA-N 645.475 5.790 5 40 KKBB CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409050650 YDCSZYQXMDUSMT-YNMQQHPQSA-N 634.110 5.338 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1 409104760 HYPDXORKLMWWFZ-NLMYKXADSA-N 697.795 5.604 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409145216 NGAVFVJFPFOKGP-PLNPHXOGSA-N 693.807 5.801 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3Sc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 409179116 PVVFMTMGEKLSRF-UHFFFAOYSA-N 561.999 6.967 5 40 KKBB COc1cc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)ccc1OC(C)=O 409193714 LOHAQLJXVNPQQP-HBZKCSNRSA-N 607.369 5.255 5 40 KKBB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Cl)c1Oc1ccc([N+](=O)[O-])cn1 409399648 KKXXJNZMVMMCEH-NVNXTCNLSA-N 621.784 5.069 5 40 KKBB Cc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 2423044 SFIHWVQRVBCUMU-UHFFFAOYSA-N 501.590 6.890 5 40 KKBB COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3[N+](C)(C)CC2)CC[N+]1(C)C 4782899 PXXYOLIWFSWZNP-XZWHSSHBSA-P 624.778 6.846 5 40 KKBB in-vitro CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cc([N+](=O)[O-])ccc4Cl)o2)N3)C1 8920371 LZYGAOYWDMSBJF-WHEQGISXSA-N 500.020 7.540 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccc(C)cc3C)cc12 9030644 LLQILLZFQYDUDU-UHFFFAOYSA-N 506.536 5.505 5 40 KKBB Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(O)n2n1 11757858 BNSPKXXMIDCENZ-AREMUKBSSA-N 540.649 5.210 5 40 KKBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 33575627 VGBBXJUWSWAXFG-JMKAEZPISA-N 514.028 6.573 5 40 KKBB O=c1[nH]c2cc3c(cc2cc1-c1c2oc4cc(O)ccc4c2nc2c1c(=O)[nH]n2C1CCCCC1)OCO3 95473966 DUVUNVWMFJACGX-UHFFFAOYSA-N 510.506 5.072 5 40 KKBB CCn1c2ccccc2c2cc([P@@](=Nc3cc([N+](=O)[O-])ccc3Br)(Oc3ccccc3)C(C)(C)C)ccc21 97984460 AMTTXDBRMNFDCE-KXQOOQHDSA-N 590.458 9.436 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 100190021 KWFMNDQSRCLFNK-FUFNRSNVSA-N 587.654 5.099 5 40 KKBB Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 100239253 AVGYFSCQMANWHE-WIXZECKYSA-N 543.620 5.146 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 105308140 WNMURCRWHJTRFW-UHFFFAOYSA-N 543.605 5.629 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(OCc4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 105796618 ICIAMULZLRCHHA-JCYYIGJDSA-N 555.974 5.878 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)c(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 163249141 KNHFIXXYAPDJBI-DBHVVYFFSA-N 741.576 6.707 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163623805 OPWVBYAFYGXTBG-YMSBRDKKSA-N 722.923 6.244 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223767762 BCRAMXTWXRQMDW-NDEPHWFRSA-N 645.178 5.484 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 225556475 CLJFJNFOGPOIPX-WUFINQPMSA-N 540.649 5.344 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260933054 BJKQWOZACSMPIB-MGBGTMOVSA-N 707.249 6.315 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261022601 VNYDJJFMCRMFDF-MGBGTMOVSA-N 709.652 6.796 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)cc1C 408565764 DBWHHPGEWJRQAK-RUZDIDTESA-N 509.031 6.535 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(F)cc1 408571361 OMXMFGSXRXQFJB-HSZRJFAPSA-N 516.957 6.196 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 408575930 XBAMQUJNHNRWTG-NDEPHWFRSA-N 589.515 7.489 5 40 KKBB COc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408806331 MQEKQOPRWQPVOA-UHFFFAOYSA-N 510.979 5.907 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408829261 FHQSZFCPACBXNU-MIUGUJGPSA-N 727.033 6.489 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 408885108 XQNXUIJGUPOUSX-YVNNLAQVSA-N 839.324 7.085 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 408930475 XMVWRVBLHMSJFH-ZMOGYAJESA-N 673.485 6.079 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)cc(Cl)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC 408936838 GGBRSYKCLAICIJ-UONGPDOGSA-N 684.554 5.610 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408937020 JCLVENWGPLVQDM-ITNPZBTBSA-N 722.614 5.844 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408992316 AACSXLHISYTNJH-FUAQWRKOSA-N 673.747 6.186 5 40 KKBB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409035914 KNYZOTHVTULZHT-ASZNLBCTSA-N 725.561 5.289 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409114052 IHZFWXKWIJGYKR-OXWVMCNISA-N 619.168 5.816 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 409144453 YOUFDWYIEIRHDJ-SVXDAGRPSA-N 695.848 6.124 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409164312 GOGVJHPXWRSRGO-FSJBWODESA-N 598.977 6.022 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 409174358 SYJVGNMHWHYDAP-UHFFFAOYSA-N 510.933 7.613 5 40 KKBB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)cc1 409174589 VEVXFZKLNIOGPJ-VFCFBJKWSA-N 543.601 5.974 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409178790 IIOROFGLXQNHAG-WLNFRNCRSA-N 668.555 5.909 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(I)cc4)C3=O)o2)c([N+](=O)[O-])cc1C 409197053 UXWNLOFWQPDQGP-NHDPSOOVSA-N 560.369 6.313 5 40 KKBB CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409206935 NLRLHEAJKLPSKT-VXLYETTFSA-N 603.369 6.548 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc(F)c(Cl)c1 409222199 BARCXFDLZWPHPF-VXLYETTFSA-N 501.879 5.322 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 409340422 WYFKKBYTBYZFCZ-XKZIYDEJSA-N 518.551 5.581 5 40 KKBB Cc1cc(C)cc(-c2cc3ccccc3c3c2op(N(C)C)oc2c(-c4cc(C)cc(C)c4)cc4ccccc4c23)c1 1857523987 YQYXNGHTGDQTQY-UHFFFAOYSA-N 567.669 11.362 5 40 KKBB O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33567091 BYYAXDWEKQWFTD-UHFFFAOYSA-N 500.561 6.258 5 40 KKBB CCOC(=O)c1ccc(NC(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 102413893 GLEYOSPHARCOSY-UHFFFAOYSA-N 597.580 5.869 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(Br)cc1)N1c3cc(Cl)ccc3C=C[C@H]21 102429477 DENCGNQTUBKZOH-DFXJHMEVSA-N 592.833 5.592 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 103549395 HKAUMPZMOFDTTB-KVOHOPFUSA-N 585.616 5.850 5 40 KKBB O=C1CS[C@@]2(C(=O)N(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c3ccccc32)[C@H]1c1cccc(Cl)c1 104161935 DMCKDAMGSRUZGA-LADGPHEKSA-N 532.927 6.109 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105318483 HPAYDHOCLLZOMN-UHFFFAOYSA-N 541.633 5.304 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc2)cc1[N+](=O)[O-] 106725233 JNBMJZHLHWNBOC-UUYOSTAYSA-N 589.445 5.670 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 111469922 IJVAQCIRBCOQRJ-KUSDHMTMSA-N 621.671 5.421 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224894940 RYZLFJHHWFRQLB-HHHXNRCGSA-N 675.204 5.349 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225014707 CHMDGVGXUQJPNK-HKBQPEDESA-N 693.620 5.717 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225048893 KINRGMYUQPEYFL-YTTGMZPUSA-N 762.112 7.232 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225510657 DVPDMNKXFPDWET-LJAQVGFWSA-N 691.634 5.765 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 253576560 VZLQBXLTKZAAPD-IEROYTCOSA-N 644.727 7.709 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3C[C@H]3CCCO3)cc2)cc1 260925578 VRPBBOVLQJBATP-MWVDVNALSA-N 557.701 6.299 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408564464 CZXSVYHGKARFFI-XABOBXATSA-N 598.881 5.745 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 408564768 ABDKAGRLROYENX-XMMPIXPASA-N 654.370 7.351 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1ccc(Cl)cc1 408570280 KSCKKKJIFSDLMR-HSZRJFAPSA-N 559.873 6.681 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)CC2)c([N+](=O)[O-])c1 408573723 NPAUGBFDKGTUPK-DHZHZOJOSA-N 544.391 5.700 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633748 LZJVRKPELYPIKB-BKUYFWCQSA-N 526.958 6.013 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Cl)cc1 408676594 AXRDEDGQWTUYDS-QYVRTBTHSA-N 592.007 5.381 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 408728603 PPYNIKKPGHEKNP-SKGAXEKPSA-N 584.220 5.013 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 408804321 XNOPJLUPJNMROM-WGJPBTIMSA-N 670.118 6.215 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408838061 QYZSDYLXOGOYRF-USDTVRPUSA-N 594.624 5.490 5 40 KKBB CCOc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1OCC 409142279 XOUWWPWDQZUMLX-WJOKGBTCSA-N 537.616 6.754 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409155348 QWOPDORQIFDEDN-FMCGGJTJSA-N 641.456 5.058 5 40 KKBB CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 409158134 NTMUOMASHZPFIM-RGFRMHDHSA-N 617.680 5.072 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(Br)cc1 409161408 USGWFOIPDPDIQM-VXLYETTFSA-N 562.785 5.946 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 409176430 NAVUEXCCEHGJSO-UHFFFAOYSA-N 539.456 5.453 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409177916 DTGASBZCOAEXGZ-AREMUKBSSA-N 540.915 5.830 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 409193724 LRVRWOMYXCTNHL-CIAFOILYSA-N 545.798 6.831 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)c1ccc(Br)cc1 409223383 FEUCWVWAPNQXDO-RGVLZGJSSA-N 513.325 5.537 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5c(ccc6ccccc56)C4=C[C@@H](c4ccccc4)[C@H]3C2=O)c([N+](=O)[O-])c1 409332157 HAZCVPFKZUGZLC-AXCRSINUSA-N 546.535 5.278 5 40 KKBB CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2280724 HKPGACYYEYBQPZ-DTQAZKPQSA-N 521.533 5.619 5 40 KKBB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)c1C 3380107 DNWBRZVIVGVKFC-MRXNPFEDSA-N 530.961 5.715 5 40 KKBB CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)c1noc(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1 4292478 LNWMYOXLGWHIRY-UHFFFAOYSA-N 600.609 5.293 5 40 KKBB biogenic CCCCN(CCCC)CCNc1ccc(NS(=O)(=O)c2ccccc2)c2sc3ccccc3c(=O)c12 4522227 HNLXMYJBRLQRKH-UHFFFAOYSA-N 537.751 6.530 5 40 KKBB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 6600698 SGHQSAMMOFLAGK-FPMFRTRJSA-N 598.247 5.403 5 40 KKBB O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccccc4)c4ccccc4c3=O)c2)CC1 29501030 REWFHPAQWHRRQY-UHFFFAOYSA-N 549.562 5.062 5 40 KKBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 59652103 XMOXFAVRFWRAQJ-UHFFFAOYSA-N 525.530 5.286 5 40 KKBB O=C(NCc1nnc(SCc2cccc(C(F)(F)F)c2)n1-c1ccc([N+](=O)[O-])cc1)c1cccs1 100816854 MEXRYVRKCSMHLA-UHFFFAOYSA-N 519.530 5.478 5 40 KKBB C[C@H]1N(C)c2cc(NC(=O)c3cccs3)c([P@@](=O)(Nc3ccccc3[N+](=O)[O-])N3CCOCC3)cc2C1(C)C 102941614 RMEATOQVOHWSIB-CCXGIQIYSA-N 569.624 5.287 5 40 KKBB O=C(NC(=S)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305928 XTGOVEFTSZIJAW-UHFFFAOYSA-N 551.632 5.599 5 40 KKBB Cc1ccc2c(c1)[C@@](C)(c1ccc(Br)cc1)CC(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 105513327 BGMDMONOHRMTCE-MUUNZHRXSA-N 583.935 8.669 5 40 KKBB CC(C)=CCC/C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CCC=C(C)C 137718675 OAIJSZIZWZSQBC-IKZLVQEUSA-N 536.888 12.938 5 40 KKBB CC(C)(C)c1cc(-c2c3nc(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc([nH]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5cccc(C=O)c5)c5ccc2[nH]5)C=C4)C=C3)cc(C(C)(C)C)c1 150713856 TVVFJYUGVMYZBI-UHFFFAOYSA-N 979.410 18.921 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222707215 OGGFZWAYKQMBAR-NRFANRHFSA-N 512.459 5.467 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224907620 XVODGNSFEBMTRS-HKBQPEDESA-N 649.169 5.608 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 229644706 UJXJYYUZGWGZMW-NIKYWZLZSA-N 571.589 5.585 5 40 KKBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](OC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)c1cccnc1 245284910 UWJZZKYOTLHWCO-DJDWAGGSSA-N 711.881 10.374 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)c(Br)c1)[C@H]1CCCN12 408568230 SMPCYRLBHZXDKQ-YUHKXCSQSA-N 552.400 5.222 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 408571852 PSMBWSKVJQVTSN-DEOSSOPVSA-N 528.993 6.066 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408766568 VOFJJAPBWHECST-ADUBFANXSA-N 677.735 5.440 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408770512 YJEDKHWIBZMPOP-RBMXVJLZSA-N 725.530 5.187 5 40 KKBB O=c1/c(=C\c2ccc(-c3cccc(Br)c3)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408771201 DVONFUWJPSZQCO-NULZLWRNSA-N 610.489 6.249 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1cccs1 408828835 JQFHGVQYMJHEDB-FBRKSOCZSA-N 613.673 5.174 5 40 KKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)o1 408839949 DMNFAAZBHTVFRF-UAMLYEQYSA-N 579.609 5.635 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC(C)C 408934894 DGECTTDZNQXIHG-KFOJKGMOSA-N 636.730 5.497 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 409041418 VTJFCLMQNJLVSL-UQDCTOEPSA-N 666.550 5.826 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409090412 NCCMLQNYZNYLFF-CVXNTFFOSA-N 787.483 6.218 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409224521 KTXCVVHHCCZBDP-MSXFZWOLSA-N 626.441 5.303 5 40 KKBB CC(C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 409274396 WPONPLOPBGMFQB-GRSHGNNSSA-N 505.346 5.064 5 40 KKBB CCn1c(CSCc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409363649 VEOZEPWNUXEXOO-UHFFFAOYSA-N 512.444 5.677 5 40 KKBB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Br)c1OCc1cccc([N+](=O)[O-])c1 409402556 WQLOBBQMEBFRNO-ZDLGFXPLSA-N 679.274 5.570 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3nc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc1 855934 UOFFKHBLOUBUFN-UHFFFAOYSA-N 564.480 6.162 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1OCC 2176875 VVBNXVNRDWDPIQ-DDBFQISPSA-N 578.690 5.512 5 40 KKBB Cc1ccc2c(COC(=O)c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc(=O)oc2c1C 3427868 FSWXFWFPEJTBRI-UHFFFAOYSA-N 506.898 5.581 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1NC(=O)c1cc2ccccc2o1 32114738 MSYGPVXMYUGXAI-UHFFFAOYSA-N 508.943 5.682 5 40 KKBB CC(C)C(=O)NC1CC[N+](Cc2csc(C3CCCCC3)n2)(Cc2csc(C3CCCCC3)n2)CC1 69533283 UERRDLICWUELRT-UHFFFAOYSA-O 529.840 7.147 5 40 KKBB CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC 97954451 JUHLQQJCOCXAQM-QKDODKLFSA-N 531.565 5.224 5 40 KKBB O=C(COC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 100397886 XPAFZZRFJOUUFJ-UHFFFAOYSA-N 572.573 7.405 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 102872834 ZOBFGCHQGWUOAD-PVHODMMVSA-N 606.012 5.067 5 40 KKBB CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 103048573 GAEQPVXJZJVSPU-UHFFFAOYSA-N 635.787 5.173 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)Cc1cccc2ccccc12 103628867 HRGLHWFHVBKTTC-BVNFUTIRSA-N 534.616 5.154 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6)o5)c(=O)n42)c2ccccc2CC3)c1 103791895 QBPJKFKAKYLMCA-JLHDDXNDSA-N 561.619 5.496 5 40 KKBB CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 105308023 PQTZGMVWCAYMBM-UHFFFAOYSA-N 545.621 5.959 5 40 KKBB O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105319449 RWAOHQJFWCOHRO-UHFFFAOYSA-N 616.335 7.639 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(OCc2ccccc2)cc1 105983577 LQJCEUDBILQOIP-UHFFFAOYSA-N 559.692 5.001 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 106721050 SCGUKHUYGXHSQY-MTJSOVHGSA-N 595.438 5.914 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(OC(=O)c6cccc([N+](=O)[O-])c6)cc5)c(=O)n42)c2ccccc2CC3)cc1OC 163292299 WEHGTHDBLSQMSJ-VNOBABJFSA-N 645.693 5.463 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223291523 LOXQXMOVLWOOBE-JGCGQSQUSA-N 679.195 5.537 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224333044 SLZOIGRXHVDFIM-MUUNZHRXSA-N 613.136 5.310 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225127863 JHAOZVIUXJJLLV-GOSISDBHSA-N 504.052 5.348 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261035278 KADUPTNJJXJHPP-UKJJDJLKSA-N 707.647 6.107 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408642897 OFYKEKLVTUPHMT-GTJLZOINSA-N 660.466 5.414 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 408712414 ZJYZWKULPVFTBV-UHFFFAOYSA-N 524.382 5.129 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730994 XLUOLTZLKMOZMX-PRLWALMFSA-N 660.502 5.989 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408770458 XSDIICUSGKPEIH-TZUCAZQYSA-N 643.559 5.884 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917473 VDPPLOODOTUZEA-WSDLNYQXSA-N 570.377 6.081 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409101973 XJGOTANGKACIGK-AOFXREQWSA-N 591.733 5.427 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409106389 NGJIZOKWOBPXFC-UQDCTOEPSA-N 681.565 5.052 5 40 KKBB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409135207 XPTGRRXVTHPVKD-HXUWFJFHSA-N 551.456 5.371 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 409192925 HFEUAKSPAXFRSM-ITNPZBTBSA-N 747.255 5.807 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409246336 BFKSXKOBVUACOR-LICLKQGHSA-N 650.232 5.829 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1 409274426 WUKNKKMLFKCLJW-ZMOGYAJESA-N 538.965 5.755 5 40 KKBB Cc1ccc2c(c1)N(C(=O)c1sc3cc([N+](=O)[O-])ccc3c1Cl)C(C)(C)C[C@@]2(C)c1ccccc1 1791324 XZUMETNZKDZZSR-NDEPHWFRSA-N 505.039 7.906 5 40 KKBB CCN1c2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc([N+](=O)[O-])c2N(CC)[C@@]1(C)c1ccccc1 4433676 DGMQMJARJPBXLN-BHVANESWSA-N 553.706 8.517 5 40 KKBB O=[N+]([O-])c1cccc(C2=NN(c3nc(-c4ccc(Br)cc4)cs3)[C@@H](c3ccc(F)cc3)C2)c1 8442565 DRONMBZLGXEZKI-HSZRJFAPSA-N 523.387 6.976 5 40 KKBB Cc1ccc2[nH]c3c(cc(NCCNCc4ccc5c(c4)OCO5)c4c(=O)c5ccccc5c(=O)c43)oc2c1 9463014 MAQVDHCYZBOTGS-UHFFFAOYSA-N 519.557 5.180 5 40 KKBB Cc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccc(I)cc3c2=O)c(C)c1 100026134 JSAMDYUEYVDJBT-WUXMJOGZSA-N 523.330 5.686 5 40 KKBB CCCCn1/c(=N\C(=O)c2ccc(-c3ccccc3)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176563 ZHVIDOXQIZAEJO-MDVFONAFSA-N 520.589 5.034 5 40 KKBB Cc1c(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)cccc1[N+](=O)[O-] 102658340 DIVQYLRIROALKE-FUFNRSNVSA-N 551.649 5.857 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3c4ccccc4cc4ccccc34)[C@@H]2C(=O)N1c1ccc(Cl)cc1 102738710 XOGFVUWLFDJLNB-AWCRTANDSA-N 504.973 6.698 5 40 KKBB COc1ccc([C@H]2C3=C(O)C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(C)=O)cc1OC 104161462 DLDJLDQBMJBPGU-WRONEBCDSA-N 513.550 6.182 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 105643590 RECOHYIBMHLQSI-CFRMEGHHSA-N 542.972 6.602 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 105980205 LREMJMFACUMHIU-UUYOSTAYSA-N 573.396 6.321 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N1 163456199 DLTYJPUPBNQKNC-UHAPOFRNSA-N 655.773 6.198 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224945042 ICSMVGNVAXFJIS-XIFFEERXSA-N 658.752 5.628 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 225653608 ZHIGTMSJGNRRPK-SXOMAYOGSA-N 526.622 5.090 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 229868678 DYEXHBYXRFDPOE-CILKRHGOSA-N 576.008 6.104 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247333498 PQCZGDMCCXFVTA-LWSSLDFYSA-N 534.355 5.300 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 248165695 RJPHSPNOPSCOST-HQMQMYHNSA-N 555.590 5.885 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 408564889 AQWKRKZMJBSWKY-XMMPIXPASA-N 563.438 6.719 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 408566738 OONRZHYQZMFTJQ-XABOBXATSA-N 582.426 5.230 5 40 KKBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)cc1[N+](=O)[O-] 408668592 MFAPCKWDFWJIRJ-UHFFFAOYSA-N 533.581 5.894 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccccc5Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1OC 408756817 JWNRNZJRUWNTPK-UHSYMONFSA-N 662.680 5.945 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)C(=O)[C@H]23)cc1 408764329 TUCUXLUFYWZUPL-WMLSXBIGSA-N 738.796 8.468 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c1 408768736 KAGASJINBMCPLX-FVUNBJOLSA-N 788.620 5.983 5 40 KKBB O=c1/c(=C\c2c(OCc3ccc(Br)cc3)ccc3ccccc23)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408839031 LUKOEJIAGNIKJN-NGPGRIRTSA-N 700.614 7.722 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 408981757 BLEQMQHPAVPGCS-FUAQWRKOSA-N 640.721 5.847 5 40 KKBB Cc1cc(Br)c(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)cc1C 409001801 KORDFLMSPNEVCD-QHCPKHFHSA-N 526.387 5.450 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 409042166 BSDPZPJTIMRNHV-CRCYZHLCSA-N 608.072 5.407 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409094740 FWWPFQGDTCYAMI-GEYGMGCISA-N 665.772 5.032 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl 409161903 WTFNDIFBQMSTEP-ZMOGYAJESA-N 598.033 6.367 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 409170794 XTHLXWMNVFTZPJ-YDZHTSKRSA-N 587.532 6.480 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409172935 JLIQKXFFTSNHKA-ZAQUEYBZSA-N 736.689 8.857 5 40 KKBB COc1ccc(-c2s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3Cl)n(C)c2-c2ccc(OC)cc2)cc1 409196852 ZHYUQTLMAQMRAC-RFBIWTDZSA-N 509.971 5.741 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409201668 XECKFNBGQGELFO-WPWMEQJKSA-N 697.564 5.847 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 409249338 KGFVTIAKDBFNLM-YDZHTSKRSA-N 675.457 5.471 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Oc1nc(Cl)ncc1F 409274670 FOSIWIPZUOQNOI-VXLYETTFSA-N 530.921 5.605 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409353902 UJNJWLFRKBBFBA-UQDCTOEPSA-N 604.084 5.247 5 40 KKBB O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 409380982 CMZVVUDOHCYTNE-WOJBJXKFSA-N 614.407 5.107 5 40 KKBB Cc1ccccc1Oc1cc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc([N+](=O)[O-])c1 3139664 WHLIWDQHTXRNEK-UHFFFAOYSA-N 540.483 6.133 5 40 KKBB Cc1ccc(S(=O)(=O)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C 12622128 MHXLUHYAEJAPMC-UHFFFAOYSA-N 515.396 5.103 5 40 KKBB O=[N+]([O-])c1cc([C@H](Nc2ccccn2)n2nnc3ccccc32)ccc1Sc1nc2ccccc2s1 59488701 VBHOFEQMJSFSBG-XMMPIXPASA-N 511.592 6.154 5 40 KKBB Cn1ccnc1Sc1ccc(/C=C2\C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)O)cc1[N+](=O)[O-] 97981444 KCKLVTIYTVIANC-HJDVLLJCSA-N 528.634 6.875 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100957607 VSLNEDZKGVVOMM-UHFFFAOYSA-N 542.327 5.201 5 40 KKBB CCOc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 101356203 VECHOGWKWZJNPK-UHFFFAOYSA-N 598.479 5.706 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cccc(OCc6ccc([N+](=O)[O-])cc6)c5)c(=O)n42)c2ccccc2CC3)cc1OC 163275151 TYEXBQOAORUBOM-HAWPWTPLSA-N 631.710 5.823 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c2=O)=N1 164176604 NLQYNZJCVIQWRE-FUFNRSNVSA-N 682.549 5.526 5 40 KKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](OC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)c1cccnc1 245284912 UWJZZKYOTLHWCO-SJRBBNRKSA-N 711.881 10.374 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261024739 WKCTUANGTOKBLB-RTWAWAEBSA-N 665.596 5.746 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccccc1Cl 408573941 UEPHMZNQUTVNIG-SANMLTNESA-N 555.056 6.326 5 40 KKBB O=C(O)/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1 408632334 DMQYPRHSOQROSN-ZDLGFXPLSA-N 504.307 6.429 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408643887 GPFPOTWHAZYVLY-ZRZAMGCNSA-N 594.407 5.885 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408824652 HBUPTONRZOMSAB-JLHDDXNDSA-N 613.692 5.073 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409020841 UPGXWZZWEBQSMZ-CIAFOILYSA-N 538.354 5.432 5 40 KKBB CCOc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)N(C)C2=S)cc1 409038291 OZUCIAFJGOPZLY-UCQKPKSFSA-N 741.345 6.386 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Sc4nnc(-c5cccc(Cl)c5)n4CC)c(=O)n32)cc1 409194694 QPNODNVAKUROGQ-WOSHRIRTSA-N 745.283 6.577 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(Br)c(Cl)c1 409204205 CMWJAYFZQUDFRD-ODCIPOBUSA-N 735.716 8.259 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1Cl 409230431 DBWGSTZLGUADPM-GRSHGNNSSA-N 518.334 5.837 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)cc1 409275402 JEGWRCRXZSBDCE-ASZNLBCTSA-N 606.770 5.053 5 40 KKBB CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1 2194393 XTACNEDUYWITPI-VWLOTQADSA-N 530.533 5.615 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)c5ccccc5)CC4)cc3)cc2[N+](=O)[O-])CC1 21595537 DEHUIKDZQIHDKO-UHFFFAOYSA-N 527.625 5.046 5 40 KKBB CCc1sc(NC(=O)c2cc3c(ccc4ccccc43)o/c2=N\c2ccccc2)nc1-c1ccc(Oc2ccccc2)cc1 97957907 NSRKJOSARGXYBE-WASYMBJWSA-N 593.708 9.549 5 40 KKBB Cc1nc(Nc2ccc(Cl)c(C(=O)OC(C)C)c2)nc(Nc2ccc(Cl)c(C(=O)OC(C)C)c2)c1[N+](=O)[O-] 100962376 ZWLIOGBJRQNHLM-UHFFFAOYSA-N 562.410 6.618 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc2ccccc2c1 101113512 WEYAEDVRPLAJQN-DSITVLBTSA-N 534.355 6.106 5 40 KKBB CCOc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)c1 101217456 YAXQSZGROMJYRA-ZLNRFVROSA-N 528.348 5.351 5 40 KKBB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1Br 102320450 IZLAQDNAKHOJAM-UHFFFAOYSA-N 548.806 5.641 5 40 KKBB COc1ccc(CCn2c(-c3ccc([N+](=O)[O-])cc3)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1 102581359 AQBJAWWDXNNNPP-UHFFFAOYSA-N 548.349 5.092 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c2=O)=N1 103826930 RZHGVDJCIVMDPG-USDTVRPUSA-N 617.680 5.072 5 40 KKBB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 105320149 BRYVEJXMWRMEMK-AATRIKPKSA-N 539.205 5.904 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c2=O)=N1 163450878 SGWHZYSTXNHTGI-ISZRBDKASA-N 704.643 6.952 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 163548149 CIFWKOLUPQGDCV-MXLMUYMQSA-N 793.465 7.087 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163623698 OPWVBYAFYGXTBG-IGSWSUAKSA-N 722.923 6.244 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223678605 WIXYXOALARNUQW-DEOSSOPVSA-N 560.434 5.065 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223834167 ZUHNQRBHMAWLCY-SANMLTNESA-N 714.068 6.791 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225486571 GEZLUSDEAXSJHH-QFIPXVFZSA-N 631.151 5.011 5 40 KKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccnc1 245283977 PKTFPGQPPNKCBQ-LXOVUGATSA-N 699.826 8.830 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247330189 OSHSCLJTDFLDGI-XLCRYHPNSA-N 547.592 5.638 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccncc1)[C@@]21C(=O)Nc2ccccc21 248343095 ZMPULFICGYXEER-CILKRHGOSA-N 556.578 5.236 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260911625 FVDDCPBZDIBNNF-FNZWTVRRSA-N 714.068 6.789 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc(Cl)c1 408569515 JJVWZTVHXHQWAV-RUZDIDTESA-N 617.953 7.388 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408638154 BZPMAFRQKGDZFG-WVZRZZCNSA-N 720.991 6.588 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccco2)cc1 408640409 HWDXTQXLOCPUQT-UHFFFAOYSA-N 608.346 5.250 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408679462 FFHQJLDBSXCRIW-QYVZARNFSA-N 563.997 5.698 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)o1 408757730 PRCVSNSFQBAMKD-OBDCIHEFSA-N 624.516 6.558 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 408774351 CEVYUENQNAXYDX-IYVASWNSSA-N 759.498 6.532 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409040043 XMLOVKSAXFNCPQ-OKMHPQNISA-N 708.189 5.743 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409057674 HTCXRPNZGOGFOE-UCQKPKSFSA-N 612.458 5.093 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1Cl 409198352 DKPDPTDPQGPRGN-BNCCVWRVSA-N 500.747 5.538 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409269855 AFEYJKRLVDSHDU-DICXZTSXSA-N 633.660 5.508 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2c(Cl)cccc2Cl)cc1 409325633 YZMHKBJCVTWYHU-UHFFFAOYSA-N 522.410 5.348 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409328975 BJIAWTVOPVOHPO-YDZHTSKRSA-N 738.354 6.615 5 40 KKBB COc1cc2c(cc1OC)[C@H](COc1cccc(C(F)(F)F)c1)N(C(=O)c1ccccc1[N+](=O)[O-])CC2 3006812 MKXQYBWAQWKLMC-QFIPXVFZSA-N 516.472 5.449 5 40 KKBB O=[N+]([O-])c1ccc(-c2nc3c4c(ncn3n2)OC2=C(CCC/C2=C\c2ccccc2)[C@@H]4c2ccccc2)cc1 13643619 RHVUYCUACUDVRW-GRVBVBMHSA-N 513.557 6.745 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 33354202 ITHYJZTURXOKBD-BIAIOAHNSA-N 543.579 5.037 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59652167 JRSFFFZVZODJLQ-UHFFFAOYSA-N 573.933 5.118 5 40 KKBB CC(C)c1ccc(CNc2cc(N3CCN(C(=O)/C=C/c4ccc(Cl)cc4Cl)CC3)ccc2[N+](=O)[O-])cc1 100233284 PRGBVGHQBUTIHI-XYOKQWHBSA-N 553.490 6.999 5 40 KKBB O=C1N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Br)cc1 100248686 HYQXKFBRVXBKIL-YBFXNURJSA-N 562.298 6.261 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1)c1ccccc1[N+](=O)[O-] 100361090 QBSOQIHJQVRHQS-UHFFFAOYSA-N 564.133 6.022 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2cn(CCNC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc23)sc2c1CCCC2 100820166 OIVUXRDYQCNVDU-UHFFFAOYSA-N 606.726 5.827 5 40 KKBB Cc1nn(-c2ccccc2)c(O)c1C(c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1c(C)nn(-c2ccccc2)c1O 101616378 NBVCKCACBQBHOY-UHFFFAOYSA-N 601.619 6.394 5 40 KKBB CCCCC1=C(C)c2nc1cc1[nH]c(c(C)c1CCCC)c(CC)c1nc(cc3[nH]c(c(C)c3CCCC)c2CC)C(CCCC)=C1C 102401294 VFHZGZVIOJKGKS-UHFFFAOYSA-N 647.008 12.983 5 40 KKBB CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 102520634 SIZOYRUQLNGWSY-SSEXGKCCSA-N 527.621 8.228 5 40 KKBB COc1cccc([N+](=O)[O-])c1NC(=S)N[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl 102579525 XAOYSWABDKBLSS-JOCHJYFZSA-N 567.882 5.534 5 40 KKBB CC1CCN(c2ccc(C(=O)OCC(=O)N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccco3)cc2[N+](=O)[O-])CC1 103093368 AZBPIAOFMUZNAQ-VWLOTQADSA-N 550.999 5.612 5 40 KKBB O=C(COc1ccccc1[N+](=O)[O-])Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1 105319251 WBSOTQCYRQNHQM-UHFFFAOYSA-N 563.227 6.414 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 214806141 WDVOUHZZIDTYBY-KEBDBYFISA-N 505.335 6.407 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222798633 WVVRCQFBLGHBTJ-GDLZYMKVSA-N 655.560 5.483 5 40 KKBB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224768159 RFZXKDDAYCXKIX-IZZNHLLZSA-N 531.663 5.766 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1ccccc1 408565107 BEPKSQQSZLSLAJ-HSZRJFAPSA-N 570.425 5.936 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c1)[C@H]1CCCN12 408566799 OTSAWQZRBMEOAX-JQHZVFBJSA-N 542.394 5.766 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 408573953 UGAQWIXKQSWKEV-XMMPIXPASA-N 556.000 5.835 5 40 KKBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1c(C)cc(I)cc1C 408608979 XYQREOPGCBRJCV-SOFGYWHQSA-N 563.348 5.309 5 40 KKBB COc1cc(CNc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408613598 YQOLMEBWTZCZRM-UHFFFAOYSA-N 559.187 6.706 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408643096 FNKJRZGNHQGHTH-RAWLKHAVSA-N 592.007 5.381 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Br)cc1 408683961 MOGBONYKBYFKDR-QYVRTBTHSA-N 636.458 5.490 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 408800925 QEUFECCYBAKFPX-ZFWDJNJRSA-N 825.394 5.634 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 408868261 PBTFRNNUQQDDEA-YVNNLAQVSA-N 745.324 7.401 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408993233 CXDPNPAYWMKXMI-PQNXSAFSSA-N 678.679 5.553 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1 409121846 YFNUEUAQUUJSLM-ZDZYTSRMSA-N 726.631 5.213 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(F)cc1 409191125 SSVSYXXQIWKZPH-GSASKQFNSA-N 767.264 7.066 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccccc1N1CCOCC1 409205327 POWYBLARFPWGNQ-OEAKJJBVSA-N 568.995 5.020 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409246973 ADNKGKKRQRNRBS-BHGWPJFGSA-N 629.003 6.031 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 409333143 NLXSCYKFFAOHIQ-QHCPKHFHSA-N 511.987 6.626 5 40 KKBB O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 409412148 SCIGOLIRVYIPAO-UHFFFAOYSA-N 526.372 5.041 5 40 KKBB COc1ccc(CSc2ccc(Sc3ccc(SCc4ccc(OC)c([N+](=O)[O-])c4)cc3)cc2)cc1[N+](=O)[O-] 3094677 VCHUXWMWEITZRV-UHFFFAOYSA-N 580.709 8.256 5 40 KKBB CCCn1nc2ccccc2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1)(Oc1cccc2cccnc12)C(C)(C)C 12559657 AXPJTRMOYFWMSL-KXQOOQHDSA-N 527.565 7.853 5 40 KKBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)CC2)cc1 21124700 WGENCRODWCZTNJ-UHFFFAOYSA-N 524.577 5.632 5 40 KKBB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 36092254 SLXHHNJUAYBDEO-YPYXRPNSSA-N 516.937 5.931 5 40 KKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)N[C@H](C)CCc4ccccc4)cc3c3ccnc2c31 70707979 UAVGWEMDCFTCHO-LJQANCHMSA-N 535.600 5.125 5 40 KKBB biogenic O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 97948122 RNXAAIPVOKWSBS-AWEZNQCLSA-N 553.185 6.054 5 40 KKBB COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]3c2ccc(OC)cc2)cc1 97979958 CDKATGCAQCFDAJ-GZTAVFCOSA-N 590.032 6.245 5 40 KKBB O=C(CCCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 102073912 YBLXXBWCVSVOLT-UHFFFAOYSA-N 531.348 6.229 5 40 KKBB Cc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2s1 103753020 CXNYGKIPZUHVTI-UHFFFAOYSA-N 595.753 6.893 5 40 KKBB O=C(C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)SC(c1ccccc1)(c1ccccc1)c1ccccc12)c1ccccc1 103768792 AYTXSFZVRFZKAP-UUWRZZSWSA-N 585.710 8.194 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n31)c1ccccc1CC2 104654920 APNVMYQOOPSMIG-SJXDCSIJSA-N 596.064 6.149 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307804 VNWKVPHCJGFOMB-UHFFFAOYSA-N 539.976 5.923 5 40 KKBB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105319143 KJUYHHTXTLMHJY-UHFFFAOYSA-N 529.405 6.267 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Cl)[C@@H]1[C@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150389170 KSAWMTRQDBHJKO-DNZYXDGPSA-N 753.162 10.352 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163615143 JAJBCUVPVAZMDS-IZBTWGKQSA-N 804.368 6.739 5 40 KKBB Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 224769350 BOQWSGHSVDRWTE-XZWHSSHBSA-N 596.759 8.371 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224804011 ZSKXCGSPINHGOJ-QFIPXVFZSA-N 691.634 6.280 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 225540437 NGVAPUISSKIOFC-FTJBHMTQSA-N 513.579 5.251 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260913614 KWHWPDYXKNTCHC-UUWRZZSWSA-N 689.234 6.533 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 260914673 FSFYZBDSFICQQZ-MGBGTMOVSA-N 642.778 5.511 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260927741 AREBFAFKGCZMLO-MGBGTMOVSA-N 741.694 6.969 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408567707 QZFQBPAENLKNNS-BYGVMDBSSA-N 542.419 5.493 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 408569560 JNINGQXZYQDZIH-HSZRJFAPSA-N 589.899 6.689 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1cccc(F)c1 408571047 NAWZAXAIVBETAK-RUZDIDTESA-N 508.575 5.721 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 408575924 XASPPWYNIYVDFT-MHZLTWQESA-N 552.628 6.201 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4[C@H](C3=O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C3(Cl)Cl)cc2)cc1 408642908 OHFYUBZAAHAELB-ADKRKBDFSA-N 822.290 6.358 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408682092 IPPQTTCHMLSIMV-ZYNNUQKQSA-N 669.088 5.507 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 408821902 AHDLDHCZUJZYFN-RISWYLRJSA-N 668.953 5.701 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(Br)cc1 408929441 ZLAYXOBPEHPROL-LPYMAVHISA-N 508.328 5.029 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 409050899 COOPENGYFOKDMK-QRVIBDJDSA-N 539.407 6.481 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1Cl 409156179 SWRAOHUSSRRSEW-WYMPLXKRSA-N 671.040 6.199 5 40 KKBB O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 4066192 DWYYZIUHFXIZHU-UHFFFAOYSA-N 656.243 7.325 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 14274766 DVNKYZKLJVAOLQ-UHFFFAOYSA-N 501.568 5.438 5 40 KKBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59331567 LXEULMBRAXVWFG-UHFFFAOYSA-N 521.002 5.519 5 40 KKBB CCC1=C(C)c2cc3[nH]c(cc4nc(cc5c(CC)c(C)c(cc1n2)n5C)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C 72188934 XASXJWXLPCEQJN-UHFFFAOYSA-N 580.729 7.658 5 40 KKBB O=C(c1ccc(Br)cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 101064308 OYDUHNVBJBYTNM-DZDVJMQSSA-N 620.459 6.339 5 40 KKBB Cc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CN2N=N[C@@H]4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)[C@@H]42)[C@H]3c2ccc(C)cc2)cc1 102435518 MAJCDONOJJQSSW-IRWCPHNBSA-N 617.666 5.328 5 40 KKBB CSc1ccc(C(=O)c2ccccc2C(=O)Nc2nc(SCc3ccccc3)ns2)cc1[N+](=O)[O-] 103018370 SYSWWHSKOMJQHS-UHFFFAOYSA-N 522.633 5.944 5 40 KKBB O=C(c1ccccc1)[C@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12 103550591 DYEXHBYXRFDPOE-OZLMZZSTSA-N 576.008 6.104 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 163739375 BNUMQRIVZJCQHU-QYIOYSLNSA-N 666.668 5.569 5 40 KKBB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4nc(SCc5ccc([N+](=O)[O-])cc5)sc4c3)n2-c2ccccc2)cc1C 164763896 NNRYKQOMKFTGES-UHFFFAOYSA-N 668.826 8.004 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1cccc(C)c1 215019712 AKQHVKPDLBEXKN-ZVHZXABRSA-N 533.562 5.166 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222527638 NKHQWEKVTMQLHU-WXVAWEFUSA-N 675.204 5.491 5 40 KKBB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222708817 GGJULVIQSSVPOL-QGZVFWFLSA-N 657.960 5.231 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223335216 RTNNIJBJJDVOQH-HHHXNRCGSA-N 645.178 5.483 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223338337 BVXRMNCQAKEIRX-GUZYMRFCSA-N 686.831 5.970 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224502725 KYHKNSRWJQXRFQ-WJOKGBTCSA-N 683.614 6.263 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 224684206 FKXGHFKMLZOPSJ-IHLOFXLRSA-N 548.624 7.528 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225084021 MUWGQBLJKOCYLB-LJAQVGFWSA-N 685.243 6.325 5 40 KKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1 225377727 MHGIBAUNJPEGLU-IZLXSDGUSA-N 525.634 6.279 5 40 KKBB CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1 408530618 PYQVSFRCONKDEB-DHUJRADRSA-N 648.741 7.469 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(F)cc3)cc2Cl)cc1 408574080 UPPKXAKMVKFIMY-HSZRJFAPSA-N 547.439 7.019 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408640026 ABNIQBVAUDGCAM-DZUWIXTPSA-N 712.114 6.600 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)C3)cc2)cc1 408658987 VJODJYLNASNBOK-SANMLTNESA-N 578.577 5.568 5 40 KKBB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(c4ccc(Cl)cc4)C(=O)[C@@]3(c3ccc(Cl)cc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])c1 408722686 CRGABZKCZSSLBT-WXHPKRHJSA-N 701.562 8.099 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c5ccccc5cc5ccccc45)c(=O)n32)c1 408767951 HKLMTVGIQGNBAJ-AZJUONQGSA-N 581.697 6.189 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)S2)cc1 408779002 OTHBPLGKRRBQIE-MNGMOJQWSA-N 534.819 6.433 5 40 KKBB O=C(Cc1ccccc1)Oc1ccc(Br)cc1/C=C1/N=C(c2sc3cc([N+](=O)[O-])ccc3c2Cl)OC1=O 408840028 AJRDYTSHFMSMQU-XDHOZWIPSA-N 597.830 6.718 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408924731 QJJRUUUNSYPFFC-HAVVHWLPSA-N 568.438 6.882 5 40 KKBB Cc1cccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 409171905 DFEKFUOJKALIML-MHZLTWQESA-N 520.497 5.485 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 409179109 NDHXZWIBYFHCTB-SANMLTNESA-N 503.963 7.180 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409201967 RQGVJWJMEXGUFM-MTJSOVHGSA-N 556.394 6.180 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409260476 QSQGQPKSLQBPGB-MSXFZWOLSA-N 603.030 5.252 5 40 KKBB O=C(COC(=O)c1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1)c1ccc(Br)cc1 2762282 IHYVACIKYNOHMY-UHFFFAOYSA-N 540.369 5.306 5 40 KKBB CCOc1ccc(N2C(=O)[C@H]3[C@H]4c5ccc(C(C)(C)C)cc5[C@H](c5ccc(C(C)(C)C)cc54)[C@@H]3C2=O)c([N+](=O)[O-])c1 8396875 CQGAMSNGONRHRZ-KRCBVYEFSA-N 552.671 6.985 5 40 KKBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1 13017549 GOLMXQYRRHVGQU-ZDUSSCGKSA-N 506.868 5.958 5 40 KKBB CC1=C(/C=C\C(C)=C\C=C/C(C)=C/C=C\C=C(C)/C=C\C=C(C)\C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1 32786179 OENHQHLEOONYIE-PAQPPKBXSA-N 536.888 12.606 5 40 KKBB CC(C)(C)c1ccc(OCc2nnc(SCc3c[nH]c4cc([N+](=O)[O-])ccc34)n2-c2ccccc2)cc1 59489574 MTRNJZKZRMVJAW-UHFFFAOYSA-N 513.623 6.826 5 40 KKBB CCN(CC)S(=O)(=O)c1ccc(-c2csc(N3N=C(c4cccc([N+](=O)[O-])c4)C[C@H]3c3ccc(F)cc3)n2)cc1 97966071 XATWFXXWAHWBCK-MHZLTWQESA-N 579.679 6.244 5 40 KKBB CCN(CC)[P@@](/C=C1/N(C)c2ccccc2C1(C)C)(=NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)c1ccccc1n2CC 97984700 OBIQUUKRGRFVJR-ACVNLRQPSA-N 633.733 8.915 5 40 KKBB C[C@@H]1N(C)c2cc(NC(=O)c3ccc(F)cc3)c([P@@](=O)(Nc3ccc([N+](=O)[O-])cc3)N3CCOCC3)cc2C1(C)C 97984803 XARKRFDPAWSMRI-VICFCZSZSA-N 581.585 5.365 5 40 KKBB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c(Cl)cc2Cl)cc1Cl 102935708 RLJMPJQYSRJZRP-UHFFFAOYSA-N 595.244 6.279 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1c(-c2c(F)cccc2Cl)noc1C 103629545 XWDMARSUBUFOFH-JTHRFTPNSA-N 612.017 5.371 5 40 KKBB O=C(NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105308155 CNCPLOANJHNYDU-UHFFFAOYSA-N 526.530 5.980 5 40 KKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 105355090 KCNPXMALXCUPSO-UHFFFAOYSA-N 521.982 7.655 5 40 KKBB COc1ccc2c(c1)N(C[C@@H](C)C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C[C@H](C)CN1c3ccccc3Sc3ccc(OC)cc31)c1ccccc1S2 150387255 PLCNTDATOHYJQQ-XPSQVAKYSA-N 797.232 12.155 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214370846 MRMVJJHTLSYTRF-ZVHZXABRSA-N 508.527 5.948 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223370942 SZWMPMONSQHRSK-PMERELPUSA-N 635.142 5.220 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)o2)cc1 223957482 BJCRYRFEURAFMC-SXOMAYOGSA-N 527.606 5.264 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224471877 IWPQABCAKKLMMI-XIFFEERXSA-N 751.700 6.424 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224926791 DBGSQBHLUKQGQI-MHZLTWQESA-N 675.204 5.349 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225583054 NTYKSRJVWGXQLG-SXOMAYOGSA-N 527.606 5.560 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1Cl 408567639 HATZERAAHOGSLS-RUZDIDTESA-N 525.030 6.317 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3Cl)c(Cl)c1)[C@H]1CCCN12 408568978 VKWBWWDUBRLMOB-YUHKXCSQSA-N 524.404 5.627 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1C 408570875 MDSOGFHPZSKPKZ-GDLZYMKVSA-N 603.542 7.797 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCC 408572595 RJESSIMZDQXMGE-IBGZPJMESA-N 507.410 5.246 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1cccc(F)c1 408574484 UYCIREIEUFFYKO-HSZRJFAPSA-N 546.983 6.205 5 40 KKBB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408605895 HDUREVNEHCTYLI-UHFFFAOYSA-N 587.729 6.703 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408849454 YSYLAXXUYLYGPZ-RQZCQDPDSA-N 640.438 7.803 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408852726 VUDAQXSGBALHKX-SUAMDDGLSA-N 608.072 5.407 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1cccc(F)c1 408917659 ZLALMBXVNOHKAC-WYMPLXKRSA-N 587.423 6.711 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccc2ccccc12 408918692 NUSIQGWGIZBVSE-DDIUQFJASA-N 714.594 6.210 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408937577 JXNQDTKQGQVZCW-IMUCPKNRSA-N 783.641 6.076 5 40 KKBB Cc1cc(Br)c(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc4ccccc4c2)C3=O)cc1C 408994445 HPKUIAXPSWRJHM-UHFFFAOYSA-N 566.411 7.825 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409084798 MYUIVGSPWDLBDP-CDORBJOZSA-N 508.530 5.036 5 40 KKBB O=C1N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1Cc1ccccc1F 409091426 UHAIZWBMXDJOCL-SRZZPIQSSA-N 699.214 5.615 5 40 KKBB CCCOc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1OCC 409115039 HXDAONJVECOIFR-YTTGMZPUSA-N 551.643 7.144 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1 409202937 VKSVKTRKBIMFEG-RGVLZGJSSA-N 542.367 5.601 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Cl)cc(Cl)cc2S(=O)c2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)cc1 4018245 GOTDTMKRNPERCC-UHFFFAOYSA-N 642.300 8.441 5 40 KKBB O=C(c1ccccc1)n1c(Nc2ccc(F)cc2)c(Sc2ccccc2[N+](=O)[O-])c2ccccc2c1=O 12561581 JARNERCEKHFRGS-UHFFFAOYSA-N 511.534 6.632 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O 100368507 DSYRXDIXZLHLQO-UCQKPKSFSA-N 535.603 5.738 5 40 KKBB C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2)C(=O)Nc1cccc([N+](=O)[O-])c1 103079768 MHVMGOQKQCUKMM-WECAROLCSA-N 545.954 6.606 5 40 KKBB Cc1ccc(NC(=O)Nc2ccc(Cc3ccc(NC(=O)Nc4ccc(C)cc4[N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 104813753 OFOUSWQLNOUIAV-UHFFFAOYSA-N 554.563 6.999 5 40 KKBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(-c2cc(Cl)ccc2Cl)o1 105303852 FYXTXOGYTRRBJH-UHFFFAOYSA-N 539.828 5.652 5 40 KKBB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3F)n2[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 108823599 PTBVLKBTEDEXGQ-CGBFIWBNSA-N 555.632 5.641 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 112260728 AKQTVJGEGMAVCW-UHFFFAOYSA-N 542.828 5.693 5 40 KKBB COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c1 150482680 BXYAQQXUEWXXEB-UNDLXJOSSA-N 652.685 5.446 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)c1 163773834 NMTPQKSCKAGCGF-VNOBABJFSA-N 680.580 6.577 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 215059884 DBPWIKQJPKJBRG-FOKLQQMPSA-N 634.302 6.944 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224031099 IPNRWOYKADBSRG-JGCGQSQUSA-N 628.751 5.265 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225296040 FEMFBBJBRDESEA-VWLOTQADSA-N 700.041 6.401 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225570040 ZFVGJQDRLFBEMN-YIXXDRMTSA-N 659.205 5.791 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408555000 FJJOAIXGKDGJKO-UHFFFAOYSA-N 542.264 6.697 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1cccc(F)c1 408566201 FAUOOMZYPFMVST-VWLOTQADSA-N 508.575 5.721 5 40 KKBB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408606472 IUSALJODTYACSV-UHFFFAOYSA-N 532.303 5.767 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408657026 TWTWZJUZFYRXIS-MFTWVQLTSA-N 718.549 7.826 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc(C)cc2)=C1c1ccc(C)cc1 408727654 FWWUGDASIGWWQY-JYGBZPGKSA-N 660.726 7.409 5 40 KKBB O=C(Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1)c1cccc([N+](=O)[O-])c1C(=O)O 408751249 YHLJJKSKUAOHMS-UHFFFAOYSA-N 510.509 5.356 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1ccc(Br)cc1 408916879 HWPZSSFHPJNUGP-WYMPLXKRSA-N 648.329 7.334 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c2=O)=N1 409038967 GBGUYRHDTSMPBY-GVMLUORFSA-N 652.498 5.187 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409048426 OMHAROOBMYIFDZ-PGNBASISSA-N 810.676 5.397 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc45)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409172420 HRRNZXDOJGLYNB-GEYGMGCISA-N 649.725 5.756 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409236867 GKUBQWZBHFDOCW-KEBDBYFISA-N 558.772 5.696 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(I)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409349629 UJGXIHQZGKXWTN-PLMBTIQCSA-N 718.573 5.623 5 40 KKBB O=C(COc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Cl)Nc1ccccc1F 409379415 XCWZLZLAASXSBH-UUYOSTAYSA-N 541.944 5.641 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)o1 409389982 RWXBOHIUKOGMPH-NGYBGAFCSA-N 523.306 5.778 5 40 KKBB CCCOc1ccc([C@@H](O)[C@H](CC[C@H](C[N+]2(C)CCCCCC2)[C@@H](O)c2ccc(OCCC)cc2)C[N+]2(C)CCCCCC2)cc1 524734507 LKJLUMSRUYTZIX-PUEYYEIQSA-N 638.978 8.085 5 40 KKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3)n2)cc1 8442792 QRAVHKSHDDANHK-UHFFFAOYSA-N 688.612 6.895 5 40 KKBB Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 59331506 PPUGTBUCYBCAKB-UHFFFAOYSA-N 517.567 5.144 5 40 KKBB CC(C)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1 59513078 MNSDZKBYZBXCLI-UQDCTOEPSA-N 507.615 5.350 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100390582 YSENSHJCQDXMGQ-HKDRDPIHSA-N 510.502 5.056 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 101674005 LFXOAIZPQLAAIT-GGKJBDKJSA-N 555.590 5.885 5 40 KKBB CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(O)=C2[C@@H]1c1cccc([N+](=O)[O-])c1 102930624 WGUZESRLKNRDEF-XDCSYDRFSA-N 565.714 9.023 5 40 KKBB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(Cl)cc1Cl 103094329 TZGPWRTWYTXQSZ-UHFFFAOYSA-N 586.837 5.566 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(Cl)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1 104656755 LTXLKMVGLWEISR-ITNPZBTBSA-N 596.064 6.149 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1 104911694 VUTINVLTUXUDCB-QPJJXVBHSA-N 552.887 5.922 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1c(Cl)cccc1Cl 106743438 VBFFLHWYHLULOP-FMCGGJTJSA-N 545.400 6.726 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccccc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1OC 139954434 DXSCQBNCXPNSLH-DDIUQFJASA-N 591.645 5.504 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 150368781 KTUZRTVMOQIDCS-NAIWQIQESA-N 630.078 5.782 5 40 KKBB Cc1ccc(C)c(-n2c(CNC(=O)c3ccc([N+](=O)[O-])cc3)nnc2SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(F)cc2)c1 150411053 CMBKOIAYFDLUMJ-NDEPHWFRSA-N 669.764 6.393 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 150416330 RMQDAOXXPDCYPP-CRCYZHLCSA-N 639.608 5.526 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 163673222 IYEBMDSZKIPWAG-VYQNWNTASA-N 726.811 6.848 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225745223 RQYIFKSFUHDRIB-YWZLYKJASA-N 526.417 5.011 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 408565411 BVFHIUDGWRJPKO-DEOSSOPVSA-N 603.470 6.184 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408638401 CKADXGFENXIBBY-XSAAJHIVSA-N 598.011 5.334 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1cccc([N+](=O)[O-])c1 408643044 ONAXWJDASFYXTE-UHFFFAOYSA-N 813.862 7.488 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408643119 FOGZZLAIYUFZDG-RAWLKHAVSA-N 626.452 6.034 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735271 PHOIBBAQHJJVKT-PKYOQBLNSA-N 617.680 5.072 5 40 KKBB Cc1sc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)cc1-c1ccccc1 408738867 WOECUQIHEWIMHJ-RUZDIDTESA-N 515.591 6.108 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408941104 PQOVEMGOUFYZQV-JLHDDXNDSA-N 613.692 5.073 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)c(OC)c1 408977869 KIEMJXMAPKWUSM-UNDLXJOSSA-N 622.659 5.059 5 40 KKBB CC[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O 409013245 MTNUXOSMXLDZRU-NPNVKNKFSA-N 521.389 5.780 5 40 KKBB CC(C)N1C(=O)S/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C1=O 409023268 ZYACBXNCAHCKIA-ITYLOYPMSA-N 509.587 7.164 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccccc2OCc2ccccc2)N1Cc1ccccc1 409135129 QAPFPUQVRLLWCZ-UMSFTDKQSA-N 555.634 7.535 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccccc2C(F)(F)F)N1Cc1ccccc1 409149106 XLIKBDHNBWAZLF-HHHXNRCGSA-N 517.507 6.975 5 40 KKBB CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 409161556 VQSMCAHOPPTMTQ-XQNWCSQWSA-N 617.680 5.072 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2)cc1 21595608 RVFZSUSXPXAZEA-UHFFFAOYSA-N 507.999 7.265 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1Cl 98000479 ABQOSJGJZIYKCL-UHFFFAOYSA-N 611.939 7.649 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 100343507 AHIPVLIUTAEZGU-KEBDBYFISA-N 532.361 6.334 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(C(C)(C)C)cc1)N1C(=N2)C(Nc2ccc(Cl)c([N+](=O)[O-])c2)=Nc2ccccc21 102443556 BQYOEARIDZSTLY-HKBQPEDESA-N 616.125 8.835 5 40 KKBB CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 102520628 SIZOYRUQLNGWSY-PMERELPUSA-N 527.621 8.228 5 40 KKBB COc1ccc(C2=Nc3ccccc3N3[C@H]2O[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 102580254 CTECMCQWMGPNDU-NHKHRBQYSA-N 522.517 6.291 5 40 KKBB Cc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1 103084010 QJSOYCHICJNAPZ-HAVVHWLPSA-N 535.600 6.741 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 103826881 YGRQZVSMISSWRB-USDTVRPUSA-N 617.680 5.072 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105322128 YOURUQKCADBFJR-UHFFFAOYSA-N 536.997 5.784 5 40 KKBB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)c1 106705477 ZCLQJZMKJROGMV-QRVIBDJDSA-N 524.576 5.216 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223776250 ZSHZVZGYRJSWPD-NLGDKJDOSA-N 707.647 6.107 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224458746 CNBPHWBFQNSLDT-MUUNZHRXSA-N 647.581 5.963 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224586588 CCHZFUPDVXMSGK-SANMLTNESA-N 588.557 6.690 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(Cl)cc4)o3)cc2)cc1 224786176 QEISKDDGZXMSOJ-FQLXRVMXSA-N 585.110 8.232 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)cc1 224787421 QFQPHKLVNQIRGW-VMPREFPWSA-N 619.555 8.885 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224897817 GIPYRNGLCOFKJB-XIFFEERXSA-N 675.207 6.142 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260704370 AKACTDJFMNFFBQ-HXUWFJFHSA-N 651.569 5.356 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 408576651 XZTOAPYOKKWDCX-HHHXNRCGSA-N 603.528 7.369 5 40 KKBB COc1cc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)O)c([N+](=O)[O-])cc1OCc1ccccc1 408634197 RYOFYGRLBJAIDL-KSEXSDGBSA-N 569.979 6.112 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408641633 KSQDUEGGPJZQHS-SAPQRMKNSA-N 598.011 5.334 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Br)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 408830692 OOHRCZFNMIOSLQ-QQMBNGEASA-N 699.583 6.430 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408833970 UCRRFOFGYSCZMM-UQDCTOEPSA-N 725.561 5.207 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408884309 SUJBHTLTROKYMP-QRVIBDJDSA-N 559.427 7.116 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1 409101097 VFEQRMPNMUQWPH-STEKTNRRSA-N 671.160 5.391 5 40 KKBB Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c([N+](=O)[O-])c1 409177712 CGLMYWCYYNGESI-MHZLTWQESA-N 565.494 5.393 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)o2)c([N+](=O)[O-])c1 409178368 LKYRKOPPACMKOP-WSDLNYQXSA-N 507.524 5.155 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409190499 YOHSUHFULUMGNP-BUDNTJSZSA-N 786.119 7.392 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409258337 WLFCZDUBUUWFQP-FMCGGJTJSA-N 713.428 7.084 5 40 KKBB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)CC1 409263356 IVNYRFJHUHEQBH-SRZZPIQSSA-N 628.423 6.463 5 40 KKBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(Br)c1OCc1ccc(Br)cc1 409331256 NCSDJCUDWPQDLG-DAXSKMNVSA-N 553.163 5.079 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409334882 WUIAHZYZCGKGJC-JVWAILMASA-N 575.643 6.371 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 1317390 SSLADMRIBCDDLP-GHTZIAJQSA-N 529.500 6.558 5 40 KKBB Cc1c(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl 2080527 BSKCSABASQVQSF-DHRITJCHSA-N 552.439 7.450 5 40 KKBB CCCc1oc2c(cc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc32)c1C(=O)OCC 8871938 PSIMCCXYHNUUHK-UHFFFAOYSA-N 516.959 6.078 5 40 KKBB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 13898241 UFBMPHOSIYFAJT-OJOFMDDYSA-N 516.941 6.593 5 40 KKBB Cc1ccc(NC(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@@H](C(=O)Nc3ccc(C)cc3C)C(=O)C[C@]2(C)O)c(C)c1 100239264 IPNOEJKGVICOJE-PCWGPIHSSA-N 543.620 5.146 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(C)cc1)[C@]21C(=O)Nc2ccccc21 102560007 ZJYJLYAGGWEYIV-ZXFZPVEDSA-N 569.617 6.149 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 103534141 UYWKKVIQGBEANC-DZDVJMQSSA-N 559.553 5.716 5 40 KKBB O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@]3(S2)SC(c2ccccc2)(c2ccccc2)c2ccccc23)cc1 103696118 GKEPEEKZLXQXQO-MGBGTMOVSA-N 557.700 8.359 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224597749 AXNBHTVGSCSSLJ-XIFFEERXSA-N 741.694 6.969 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 224725335 JHORIGNZPAXXEQ-LOYHVIPDSA-N 548.624 7.528 5 40 KKBB CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224768867 SPLJXYOTBKJVDT-CLJLJLNGSA-N 529.691 6.875 5 40 KKBB O=C(O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 224787364 YJIWQYUNGIDRGE-VMPREFPWSA-N 594.674 7.276 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1Br 224946488 IQATZVLTRRTJLY-BJKOFHAPSA-N 535.423 6.498 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224974194 OSQXWZAXTFPSIO-DHUJRADRSA-N 702.805 5.945 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 261029898 WUJVOVBWKLOMFP-UUWRZZSWSA-N 654.789 5.797 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 408569553 JNBFOJJYDAFHLZ-QHCPKHFHSA-N 634.350 6.798 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 408569871 KALGBORFNRYDQQ-VWLOTQADSA-N 587.471 6.565 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1C 408576120 XIECFRDFGNFNCR-RUZDIDTESA-N 571.472 6.783 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(Br)cc1 408637769 BCMQBWLYWLXXRR-UHFFFAOYSA-N 823.868 6.944 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408640358 AUQUVDCYFYVVRU-CPAHJZNRSA-N 571.973 5.088 5 40 KKBB Cc1cc(I)cc(C)c1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408738174 QFHZMJZVAVTCOZ-HHHXNRCGSA-N 633.486 6.314 5 40 KKBB COc1ccc(C(=O)Oc2ccccc2/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)cc1 408840813 BTMNZHYBQDNDJY-XDHOZWIPSA-N 534.933 6.035 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C(F)(F)F)ccc3OC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408865351 BXMJASSSUOEWOA-MSXFZWOLSA-N 757.481 6.880 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccc(C)cc3)c3ccc(C)cc3)[C@H]2C1=O 409078181 HWXBALKKMGLVJA-VHRRBUMHSA-N 506.558 5.644 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc5ccccc45)c(I)c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 409080235 MIHBUVUDCZXPSP-KAEGSSFASA-N 857.464 6.648 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409169987 RQCJXZSUBDEKJS-WYMPLXKRSA-N 751.939 6.292 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCc1ccc(Cl)cc1 409183024 RMSPCJJQOKHPLW-UHFFFAOYSA-N 501.278 5.068 5 40 KKBB Cc1cccc(CN2C(=O)N/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)c1 409233804 XLXQDEUHUNMENV-WSDLNYQXSA-N 601.251 6.100 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409266344 WBUASVAYDDGPKV-AUEPDCJTSA-N 600.512 5.647 5 40 KKBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 409362025 RQTIMUNNFJIVET-HXUWFJFHSA-N 522.458 6.323 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccccc3Cl)C2=O)o1 409400829 RFGPFZFVQIRGSD-NVMNQCDNSA-N 590.770 5.062 5 40 KKBB CCCC[C@H](CC)Cc1ccc(-c2c3sc4ccsc4c3c(-c3ccc(C[C@H](CC)CCCC)s3)c3sc4ccsc4c23)s1 1776010846 CLTVRFNIVLMSQU-PSWAGMNNSA-N 691.156 15.520 5 40 KKBB O=c1/c(=C\c2ccccc2OCc2ccccc2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 1884136 XSSWDKWAFVENEA-AOFXREQWSA-N 571.658 5.806 5 40 KKBB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1 2798675 DGELHPRLDKQPJD-UHFFFAOYSA-N 538.451 5.804 5 40 KKBB CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 9009574 JWJMOAGUGRHVMR-ZGQJUUMOSA-N 521.573 5.183 5 40 KKBB Cc1nn2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 9088220 SMEGAXGBPANULY-UHFFFAOYSA-N 510.019 6.295 5 40 KKBB C[C@H]1N(C)c2cc(NC(=O)c3cccs3)c([P@@](=O)(Nc3ccc([N+](=O)[O-])cc3)N3CCOCC3)cc2C1(C)C 17595785 DPRUJUNHAFZBDE-CCXGIQIYSA-N 569.624 5.287 5 40 KKBB Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1 33353836 CSXHCGJWBFCUPP-OBDPMMFOSA-N 538.714 5.431 5 40 KKBB CCOc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 60060524 ISIGBPVUQAITAT-GOSISDBHSA-N 562.044 5.037 5 40 KKBB O=C(O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)[C@H]3C2=O)cc1 97952129 ZPYUWLTTYHWHBP-UBFVSLLYSA-N 541.541 5.073 5 40 KKBB CN1/C(=C2\C=NN(c3ccccc3)[P@]2(=Nc2ccc([N+](=O)[O-])cc2)N2CCCCC2)C(C)(C)c2ccccc21 97984491 DCALBCSWPZTKGH-QBARFHAVSA-N 540.608 7.889 5 40 KKBB CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 102974105 PWBCNOWNLUBNBZ-VDKIKQQVSA-N 582.407 5.075 5 40 KKBB CC(C)(C)c1ccc(OCCOc2cccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1 106743569 GIKLIFPYMAXXRD-ITYLOYPMSA-N 532.618 6.587 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1 111465371 OMVHOSZSDFSZQN-CLNXTWJPSA-N 607.644 5.112 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 150389579 LTTFECJBPGJBQB-KCQXITDRSA-N 668.522 5.055 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 208360511 TVJDFFMAJCXSOF-CCLVUABDSA-N 609.660 5.437 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccccc1Cl 214093245 UEQLAQNHAAUQOQ-UFFVCSGVSA-N 613.795 8.058 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 215112501 QXDLKTQTHYBMOE-AUEPDCJTSA-N 573.942 6.723 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 215129998 MUYNXABZOZXIEA-WYMPLXKRSA-N 542.972 6.602 5 40 KKBB COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224782892 AHMZGKDZDOYZTH-XZWHSSHBSA-N 579.707 7.117 5 40 KKBB Cc1c(N(Cc2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224863794 OGUROIUMVVEHGS-UHFFFAOYSA-N 530.606 5.108 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225295599 LVHLXMHTFRZMPK-LEWJYISDSA-N 665.596 5.746 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225311402 KPIDEDBVASOVPT-WJOKGBTCSA-N 666.797 5.372 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 408570323 KXBXEDYMJJDVHX-XMMPIXPASA-N 540.001 6.135 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(F)cc1 408611609 UJCJGAUAFWHRCI-UHFFFAOYSA-N 508.287 5.538 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408646209 TXDRETYMODATDC-WVZRZZCNSA-N 720.991 6.588 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1)c1ccc([N+](=O)[O-])cc1 408670082 XWHZJVPKYXVDTB-XXSMREGWSA-N 627.436 5.732 5 40 KKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 408710477 OQCWEHHZYMGUSV-UHFFFAOYSA-N 570.439 7.139 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408733846 BALOEBYZEBFNIN-VSQRRKBNSA-N 687.771 5.482 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408823242 NJFFOESXCCVNGF-FQKMCRJQSA-N 682.980 6.010 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)cc2)cc1[N+](=O)[O-] 408837341 CQTJBZBWPAQRSZ-DBHVVYFFSA-N 680.720 5.211 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408944977 WEOBEUUPKORKRE-QUNTYYFUSA-N 727.033 6.489 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409113261 HHYOKURYGRVFFO-HDFSHUSISA-N 633.195 6.125 5 40 KKBB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 409333227 IMNVOJOQFHQEQL-BEDYVLDCSA-N 514.921 5.078 5 40 KKBB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccc6c(c5)CCC6)cc([N+](=O)[O-])c4)cc3N2)cc1 1771767 OUUUSJGFYPPMBZ-BDYUSTAISA-N 593.562 6.994 5 40 KKBB O=C(O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Sc4ccc([N+](=O)[O-])cc4)cc2)C3=O)cc1 3143015 XNLYCMHJJACPNX-UHFFFAOYSA-N 539.525 5.497 5 40 KKBB Cc1cc(C2(c3ccc(OC(=O)c4ccccc4[N+](=O)[O-])c(C)c3)CCCC2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 4017317 WXQQMLKXXAGRBM-UHFFFAOYSA-N 580.593 7.418 5 40 KKBB Cc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)CN2N=N[C@@H]4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)[C@@H]42)[C@@H]3c2ccc(C)cc2)cc1 8455510 MAJCDONOJJQSSW-KHJORCJJSA-N 617.666 5.328 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8833182 FFIVDKAOEUCRHK-UHFFFAOYSA-N 505.531 5.269 5 40 KKBB CCCNC(=O)c1ccc2c(=O)n(-c3cc(C)cc(C)c3)c(SCc3cccc([N+](=O)[O-])c3)nc2c1 33077629 MXQMJJMMXSZIGT-UHFFFAOYSA-N 502.596 5.343 5 40 KKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)ccc1OCC(=O)O 79493004 NQATUPWSPQKEJI-UHFFFAOYSA-N 517.538 5.776 5 40 KKBB O=[N+]([O-])c1ccn(Cn2nc(-c3cccc(Br)c3)c(Cl)c2-c2cccc(Br)c2)n1 97945848 VYOJLXSPUBSNJM-UHFFFAOYSA-N 537.599 6.006 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1cccc(OCC(F)(F)C(F)F)c1 97947979 FHJLXFIMVKDMMB-UHFFFAOYSA-N 547.918 5.537 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)ccc1Cl 100370103 GOLRVRJPHWBFCD-CFRMEGHHSA-N 612.085 6.560 5 40 KKBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 104086777 KSLNPCRBXSEYBE-UHFFFAOYSA-N 529.380 5.125 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 105312588 ALRYHRYOEOCYMR-GOSISDBHSA-N 543.649 6.644 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105317312 VLNGEQLMEVTXKF-UHFFFAOYSA-N 590.061 5.597 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 150469824 DWOICDVHKPZERT-FMCGGJTJSA-N 645.431 5.462 5 40 KKBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 222522491 QJLSTDKKGBHDFU-PMERELPUSA-N 575.731 5.926 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223490075 CTYBCVXPLUEHNF-FNZWTVRRSA-N 508.018 5.346 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223911457 LPRDMUAMMHBEKX-DCFHFQCYSA-N 588.557 6.690 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224548593 MDAHKBDIKVLFDS-MUUNZHRXSA-N 687.215 5.635 5 40 KKBB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1OC 225307593 OODJZZGMWXRODE-NSOVKSMOSA-N 589.630 5.029 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(F)cc1 225599789 UUMGHFYBYAZZOL-FTJBHMTQSA-N 531.569 5.390 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260977170 NKHQWEKVTMQLHU-AMGIVPHBSA-N 675.204 5.491 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408570210 ZVRLTIVRHNKMON-DNKZPPIMSA-N 586.870 5.602 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733398 IFEDYBNTTQUWLO-VPVLBGOXSA-N 717.392 5.809 5 40 KKBB CC(C)c1cc(I)ccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408738939 XEVLDAHPCXRCDB-DEOSSOPVSA-N 587.414 5.799 5 40 KKBB CC(=O)Nc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408758331 XWVYPFVOZJTXDR-UHFFFAOYSA-N 545.349 6.013 5 40 KKBB O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408839511 UAZNHCPPTYVMFK-WOJGMQOQSA-N 583.803 6.789 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408869274 QHQALJAVGSVQPY-JJFYIABZSA-N 621.977 6.530 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408996444 OZXYCGDMAGPBIU-MDINZUHSSA-N 738.660 7.309 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccc(SC)cc1 409001917 XYCBNGBDUXBEQY-GLSAMTQTSA-N 652.548 5.034 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 409017662 NYEAVIBIYIIYJL-WSDLNYQXSA-N 555.374 5.320 5 40 KKBB C[C@H](NC(=O)COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)c1ccccc1 409122528 ZESUXNVSSHIRTC-ZSQPVGNWSA-N 626.713 7.212 5 40 KKBB Cc1sc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)nc1-c1ccccc1 409150846 FBXQMUSLRXSXJV-FQEVSTJZSA-N 551.654 5.003 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc2)cc1[N+](=O)[O-] 409153887 IUYKUSCOMPMXPE-UUYOSTAYSA-N 632.470 5.108 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 409156592 KPYHXEPGFKVKTQ-RGVLZGJSSA-N 513.915 5.192 5 40 KKBB Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409180611 YADOFGABTPOJQJ-MHZLTWQESA-N 554.942 6.138 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409180800 RSPSCRPOYIMXSU-PLMBTIQCSA-N 627.122 5.671 5 40 KKBB CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 8722043 MYPOZENIPAIADP-UHFFFAOYSA-N 504.539 5.829 5 40 KKBB COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)s2)cc1 39766157 ZBYIFVSSQQTPHF-NTEUORMPSA-N 501.524 5.026 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 100084946 PGTZIHFBFRNKCS-LJQANCHMSA-N 574.099 5.935 5 40 KKBB O=C(CSc1nnc(-c2cccc(Br)c2)o1)N(Cc1cccs1)c1cccc([N+](=O)[O-])c1 100565093 HYZQGZCQIIKHJZ-UHFFFAOYSA-N 531.413 5.794 5 40 KKBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 101589847 XIRUWOOZGAGXCD-MIARMAKKSA-N 599.599 5.502 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 103532327 OZHQHXSCWYIWIL-LUIYPFIDSA-N 541.563 5.577 5 40 KKBB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 108336784 KMWVSGRSVFADLG-RMKNXTFCSA-N 557.434 5.360 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(F)cc1 111469495 XZOVIYNZOZFRGX-JQTKYWOZSA-N 595.608 5.243 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)o2)cc([N+](=O)[O-])c1C 214832593 ZELZWMNUXGLMLP-UFFVCSGVSA-N 503.363 7.015 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 224759451 LUKMPIOVCYZLGW-IHLOFXLRSA-N 564.623 7.228 5 40 KKBB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccco1 224766099 JAKTZBHNBFRLRF-LOYHVIPDSA-N 581.723 7.378 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 408566259 FEUSFWZZDYLRGV-XMMPIXPASA-N 589.899 6.689 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)cc1C 408566293 FFWQWIGWDFYVLT-VWLOTQADSA-N 571.472 6.783 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 408569089 ITKWMABFBFRJFT-XMMPIXPASA-N 608.345 7.643 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408734317 WVLFWUSPCLLEII-SUCLOZJKSA-N 690.664 6.241 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1 408827211 GHNUKAWUNYKPFS-WOSHRIRTSA-N 620.687 5.749 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408980568 FQYXFMWDAWGYTK-KMCFWPMWSA-N 716.599 6.738 5 40 KKBB Cc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Br)c(C)c4C)c([N+](=O)[O-])cc(c23)C1=O 408996438 DTCNOMLAIMHTHU-UHFFFAOYSA-N 530.378 6.980 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409017319 YVFFUOIPRWKIBW-YDZHTSKRSA-N 609.433 5.175 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 409101818 YZXJVKRJRRZDMY-ZVHZXABRSA-N 612.458 6.010 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)ccc1Cl 409196284 VIBBNGYSPDNHMT-UUYOSTAYSA-N 597.005 5.677 5 40 KKBB COc1ccc([C@H](C)N([C@H](C)c2ccc(OC)cc2)p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)cc1 1857775655 WZONQGCZSGKCCW-WMPKNSHKSA-N 599.667 11.074 5 40 KKBB O=c1/c(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 1862160 RTWLAKSOYPEURA-USDTVRPUSA-N 599.590 6.506 5 40 KKBB CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)cc1 2202106 PFCARPOEWUWQAT-UHFFFAOYSA-N 509.953 5.162 5 40 KKBB Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nc2c1 14274349 KVQAMHPKQLMTHW-UHFFFAOYSA-N 515.595 5.829 5 40 KKBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 59331629 OOIPXEXFWIWQKT-UHFFFAOYSA-N 516.514 5.163 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2 97949084 VAVPYYZCKUMCKD-AZGAKELHSA-N 642.432 7.747 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 100360927 MSZBTNDEVGLOQZ-YDZHTSKRSA-N 521.507 5.327 5 40 KKBB CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@H]21 100391042 ZRHIGDZIDKQKSO-MPKDPQEWSA-N 524.529 5.446 5 40 KKBB C[C@@H](OC(=O)c1oc2ccccc2c1COc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 103056758 TYIKMMCMWMWVIH-OAHLLOKOSA-N 528.439 6.123 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1)Nc1ccc([N+](=O)[O-])cc1 103754698 IFJCCEJUJDXMIM-UHFFFAOYSA-N 533.418 6.494 5 40 KKBB COc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(F)cc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 103781232 NSPFDSOJLFTBKC-UAMLYEQYSA-N 579.609 5.635 5 40 KKBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2cc(Cl)ccc2o1 105307839 GBTDLDSXITYZFB-UHFFFAOYSA-N 536.013 6.092 5 40 KKBB COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl 105307956 IPXKRMVSAUGYCG-UHFFFAOYSA-N 566.043 5.026 5 40 KKBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1 105319254 QZHZARLBWIOLHK-UHFFFAOYSA-N 563.227 6.414 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 105958863 WVKHRYWXZMXQCI-GRSHGNNSSA-N 568.389 5.479 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214814180 RQDNJTCLGFFPBN-UFFVCSGVSA-N 546.344 6.839 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)o2)c([N+](=O)[O-])c1 215216546 KSAALRXEQRQKGN-ODCIPOBUSA-N 514.899 5.482 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223816111 JSPIXBDORVHTAE-NIYFSFCBSA-N 542.463 5.999 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224032084 IPFXSNLYQQSKLD-NRFANRHFSA-N 631.151 5.093 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224520947 ICNJELBKGFXSFK-HHHXNRCGSA-N 635.570 5.142 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225234268 XSNHZBXXHHZXTR-NDEPHWFRSA-N 740.106 7.324 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225237520 YQRFXSPSTBCDLT-DEOSSOPVSA-N 613.564 5.232 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225286730 DVNLNQALTSQLHL-AREMUKBSSA-N 621.543 5.431 5 40 KKBB O=[N+]([O-])c1cccc(NCc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)c1 408556730 LGYHOFQBKUXASR-UHFFFAOYSA-N 510.157 6.450 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 408565113 HRRTWHCUNGTENZ-KLPDMWAPSA-N 552.002 5.511 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 408577411 ZJFQHTKEBGJOHE-XMMPIXPASA-N 603.470 6.184 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408679994 FTCFZWUPVZHTKP-UHFFFAOYSA-N 751.407 7.152 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)S2)cc1 408783298 NXJCJXVQTDHLLW-CBYYHRJHSA-N 587.439 5.940 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 408810070 IVXIAQDLGXOCBQ-QYIOYSLNSA-N 887.465 6.771 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408824769 AHCXKWBESITBIT-JOHYPREOSA-N 633.726 6.536 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408838658 ZBUSPBGAPNZUFY-MFUBYVTQSA-N 895.819 6.691 5 40 KKBB O=C1S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916678 FZVJJZWDODMKAI-ZMOGYAJESA-N 514.519 5.743 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Br)cc1 408997508 MSSMMHGFUYDAFH-ZGOFBEGVSA-N 634.508 5.048 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409090561 RFBYADJSJJLAQW-PQRKSKNISA-N 617.127 5.244 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1C 409154474 OQGXVZRPMZMYTC-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409170775 XFLRXGSJVBMHHO-RGVLZGJSSA-N 542.367 5.790 5 40 KKBB Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c([N+](=O)[O-])c1 409177707 CGLMYWCYYNGESI-HHHXNRCGSA-N 565.494 5.393 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 409192567 CJQBOGJGBUHOSB-OGMUYLFESA-N 761.282 6.197 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)c(OC)c1 409271083 IWBFLFFGRNFDKY-SAGCDJCOSA-N 653.761 5.036 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl 409346118 LCHSGYIOSDVTRC-HXUWFJFHSA-N 565.483 5.761 5 40 KKBB O=Cc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(C=O)cc5)cc4)c4ccc5c(-c6ccc(-c7ccc(C=O)cc7)cc6)cc(-c6ccc(-c7ccc(C=O)cc7)cc6)c6ccc3c4c65)cc2)cc1 2382215929 AGTMLNPPOFPFGD-UHFFFAOYSA-N 923.080 17.170 5 40 KKBB COc1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@H](C(C)(C)C)C3)c(C)cc1[N+](=O)[O-] 12540479 XQPDKRXYNITUPC-KRWDZBQOSA-N 505.571 5.407 5 40 KKBB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 16779786 WHQGNLKTOMJRNN-UHFFFAOYSA-N 507.568 5.441 5 40 KKBB COc1cccc(CSc2nc3cc(OC)c(OC)cc3c3nc(-c4ccc([N+](=O)[O-])cc4)nn23)c1 20216218 PRBLNDFFPHHVJW-UHFFFAOYSA-N 503.540 5.171 5 40 KKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@@H]3C2=NN(c2nc(-c4ccc(-c5ccccc5)cc4)cs2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 96022668 NRERLGVASAWBHW-IVBOPPASSA-N 613.699 9.095 5 40 KKBB O=c1oc2ccc(Br)cc2cc1-c1cnc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 97971251 IXVSSQSPYOQCNA-BAJBSVBZSA-N 684.528 8.296 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 100870943 YLFWWWSZUVYERX-KEZOAJOQSA-N 533.462 5.012 5 40 KKBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1OC 101103210 LJNAHZURNZJVMY-UGLFBHLWSA-N 548.684 5.591 5 40 KKBB Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)nc2ccccc2c1=O 103089582 QSJBWSPQKLKRKZ-UHFFFAOYSA-N 559.829 5.749 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163625964 UOTPTGFXIOBGCC-MFUBYVTQSA-N 767.920 6.152 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214175260 PJEZSZODFUMINK-FSJBWODESA-N 578.952 7.695 5 40 KKBB COc1ccc([C@H](CC(C)C)NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 216358546 HANXASORMOCFGO-SANMLTNESA-N 555.653 5.019 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223862526 QAHDVQYMKKMWHI-GPNASLBKSA-N 697.641 6.652 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223873717 PGMPUVSWDMBBNX-QCBOHVIISA-N 741.694 6.969 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224178639 JRURXVDYOIJDCK-YTTGMZPUSA-N 727.667 6.580 5 40 KKBB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C 224769456 RHDOUGZMIMVBPG-CLJLJLNGSA-N 515.664 6.273 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 225639894 CLGYYKWFWSDEAE-NSOVKSMOSA-N 541.633 5.868 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 225692626 NGCAWLXAJAGXKB-RRPNLBNLSA-N 526.622 5.090 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)cc2)cc1 408566085 DUVRZMACMRBZKB-LJAQVGFWSA-N 540.645 6.817 5 40 KKBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1 408650197 ZVFLVHAMWQNNJY-UHFFFAOYSA-N 774.998 6.190 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4c(ccc5ccccc45)C3=C[C@@H](c3ccccc3)[C@@H]2C1=O 408732056 ORUVRULLMUKRTM-HXVUFMGFSA-N 530.536 5.578 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 408830096 ROINGCZNKNCXRA-KOBOZNMDSA-N 609.660 5.437 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408837550 IMYRGRYFFQFRQQ-IZBTWGKQSA-N 801.819 7.006 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 408927762 XSLQEUVGQAGXQJ-RISWYLRJSA-N 575.668 5.077 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4c(C)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC)cc1 408997524 GZGPNODQCWFIJC-OGMUYLFESA-N 562.691 5.812 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)[C@@H]34)c(=O)n2[C@H]1c1cccc2ccccc12 409146429 RTXRSRRGRJFNFC-NQZNSAFQSA-N 772.839 6.062 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 409177716 GPSCMWNPLCNLDM-MHZLTWQESA-N 605.386 6.492 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC 409188976 LVNIBKIXDHFIQD-BQCQJZCVSA-N 864.587 7.858 5 40 KKBB CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(OCC)c3)C(=O)O2)cc1OCC 409189521 PZASCKBNGXQNKU-CWLNMNGKSA-N 572.570 5.754 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2cc([N+](=O)[O-])ccc2Cl)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409371646 IZRXEZNCHKECOV-UHFFFAOYSA-N 515.957 6.237 5 40 KKBB CC(C)N(C(C)C)[P@@](=O)(O[P@@](=O)(c1ccc([N+](=O)[O-])cc1)N(C(C)C)C(C)C)c1ccc([N+](=O)[O-])cc1 1555512 QYSOTSPLJXOLFZ-BCRBLDSWSA-N 554.521 6.094 5 40 KKBB CC1(C)Cc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c2nnc(SCc4ccc([N+](=O)[O-])cc4)n32)CO1 1860957 CBBRERKSGIDSCG-UHFFFAOYSA-N 554.053 5.800 5 40 KKBB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 6474665 DMRQTOSRJWATGW-UHFFFAOYSA-N 500.367 5.880 5 40 KKBB CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C(C)(C)C)C3 6600332 BNFSJQGIPFEEHA-OAHLLOKOSA-N 544.699 6.279 5 40 KKBB Cc1cc(C)c(S(=O)(=O)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc23)c(C)c1 8436946 XAGAWQIPHVXJRR-UHFFFAOYSA-N 639.642 6.836 5 40 KKBB O=c1c2ccccc2c(=O)c2c1c(NCCN1CCN(c3ccccc3)CC1)cc1oc3ccccc3[nH]c12 9108569 VOJPKOPMQUYPIL-UHFFFAOYSA-N 516.601 5.175 5 40 KKBB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12524299 JCUFYGVXUPLTJL-UHFFFAOYSA-N 520.636 5.901 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)c1cc(-c2nc3ccccc3[nH]2)c(-c2ccc([N+](=O)[O-])cc2)n2c1nc1ccccc12 100154352 JCZWEZMQMLDVEP-UHFFFAOYSA-N 554.522 6.745 5 40 KKBB CCOc1cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2COc2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC 100819006 BKZAUIPHARZIDI-RUZDIDTESA-N 580.634 5.627 5 40 KKBB COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nc(NC(=O)c4cccc([N+](=O)[O-])c4)nn32)cc1 101012637 ZOQXWUBNBJAOEP-QFIPXVFZSA-N 502.918 5.157 5 40 KKBB O=c1c2ccccc2c(=O)c2c1c(NCCN1CCN(Cc3ccccc3)CC1)cc1oc3ccccc3[nH]c12 101015857 ZRCYHEKRRXKKAM-UHFFFAOYSA-N 530.628 5.171 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 104492695 ILAFRGKUXZOLLG-UHFFFAOYSA-N 616.881 5.782 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c2=O)=N1 104676722 IMDBLMSAHFQZOU-UNDLXJOSSA-N 615.708 5.879 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1 105319572 KFFCYSVKBVOVBR-CMDGGOBGSA-N 559.239 7.048 5 40 KKBB CCCc1ccc(C(=O)N2c3ccccc3[C@@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3)C[C@H]2C)cc1 105513468 SQGFWLDELGHQIA-RCRUUEGKSA-N 624.162 9.243 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)o1 111468884 CAKIKZMSNSQBFV-ZGOFBEGVSA-N 598.662 5.112 5 40 KKBB O=[N+]([O-])c1ccc(-c2cnc(Nc3ccc(Cc4ccc(Nc5ncc(-c6ccc([N+](=O)[O-])cc6)s5)c(Cl)c4)cc3Cl)s2)cc1 150386146 CSDIICWPSHLROK-UHFFFAOYSA-N 675.579 10.135 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223755704 SSATZRCBUBQNRP-MHZLTWQESA-N 601.125 5.167 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223771906 XVLLAVHWICLEDR-AREMUKBSSA-N 679.623 6.138 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224410237 ADNKKJXKQMSTJQ-HSZRJFAPSA-N 538.497 6.001 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224719400 JFFITLMHZLXMQG-MUUNZHRXSA-N 645.178 5.340 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225082528 IBCFPVKWUNZMQK-MHZLTWQESA-N 554.474 6.143 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1 408567583 GWTDQEZPFUAQBO-MUUNZHRXSA-N 635.540 7.198 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 408569627 JXNFVCGSHBKJTL-VWLOTQADSA-N 557.047 6.683 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408575633 WSIVGSBOUKJRLJ-VWLOTQADSA-N 633.952 7.088 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 408577206 YSSANSUOXSAHIT-RUZDIDTESA-N 541.029 5.935 5 40 KKBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C(=O)c1ccccc1 408603342 FWULIZPUSDOOJP-FYWRMAATSA-N 513.506 5.319 5 40 KKBB Cc1cc(C)cc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 408645340 KDECIJSEEHXXIU-UHFFFAOYSA-N 505.527 5.295 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 408720233 JSALIIMZTHFSPB-QKENHZOPSA-N 541.003 6.354 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 408920140 HQHMUVLRBOMISK-NPRXSWCKSA-N 667.791 6.909 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5cccc6ccccc56)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408939864 IOVZOIKXORXYJL-CSJGQJTISA-N 744.620 6.218 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409101651 WYFZCAOIIJHTNW-GVMLUORFSA-N 611.507 5.579 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409146081 RCSVRUYPSPIUJI-WQNUKSJVSA-N 693.532 5.265 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)o2)c([N+](=O)[O-])cc1C 409169953 RKRSPVHKCCJEHT-UUYOSTAYSA-N 505.552 5.763 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 409182595 MYXJBINJHFOIFL-AQOUDTPCSA-N 644.592 7.065 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409182763 NRLGFVVCBJBGIO-AREMUKBSSA-N 532.892 6.730 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)cc1Cl 409271622 KQCLXCCEKSICMG-JJFYIABZSA-N 541.969 5.809 5 40 KKBB Cc1ccccc1CCc1nc(N2CCC[C@H]2c2ccc(Cl)cc2)ncc1C(=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 585266718 MLHRJPTYENKCNR-NDEPHWFRSA-N 606.104 5.592 5 40 KKBB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)coc2c1 2272773 SMTKGUBHBPDLJT-FPTDNZKUSA-N 528.514 5.044 5 40 KKBB Cc1ccccc1N(CCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 4066194 HKAQUWXIRQAIIP-UHFFFAOYSA-N 696.352 7.639 5 40 KKBB CC(C)(C)C(=O)[C@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 9009577 JWJMOAGUGRHVMR-FVCFNFBRSA-N 521.573 5.183 5 40 KKBB Cc1c(/C=C/c2nc3ccccc3c(=O)n2-c2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccccc1 9233486 IYTLGPMEIKDDIM-VHEBQXMUSA-N 512.569 6.776 5 40 KKBB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 12497921 YKFGNODAYAQPLG-UHFFFAOYSA-N 514.991 5.210 5 40 KKBB Cc1nn(-c2ccccc2)c2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3nc4ccccc4[nH]3)c(-c3ccc(N(C)C)cc3)c12 102202282 CCRPQZPCLOQSRP-UHFFFAOYSA-N 565.637 7.580 5 40 KKBB COc1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CCC3)c(C)cc1[N+](=O)[O-] 103083332 QDIJHTFMUIQZRA-NBVRZTHBSA-N 543.601 6.194 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccccc1Cl)[C@@]21C(=O)Nc2ccccc21 103548670 NWWPPZXHZYEGEJ-CDACFMRSSA-N 590.035 6.494 5 40 KKBB COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N23)c1 103553437 XDKVONHITCMNLZ-UIUKDCGCSA-N 585.616 5.850 5 40 KKBB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 223837269 QJHQGXXDTXDTCN-FTJBHMTQSA-N 516.579 5.834 5 40 KKBB C[C@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)C1 224150328 MGMKJOBUQKZAJZ-BLQAFSTQSA-N 588.133 7.563 5 40 KKBB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-n1cnnc1 224765717 OFROSRORVPGRAW-KAYWLYCHSA-N 568.688 5.639 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3C[C@@H]3CCCO3)cc2)cc1 224768363 VRPBBOVLQJBATP-QLCOJLISSA-N 557.701 6.299 5 40 KKBB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1CCCN1CCOCC1 224769155 VOQRHDOGDAAWRS-AJQTZOPKSA-N 628.824 6.459 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225472683 ATXSXDVZZBTUDU-PMERELPUSA-N 675.635 6.065 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229911901 UBLRONAYKDNJFH-CLWMVSBGSA-N 555.590 5.759 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 245226466 YSENSHJCQDXMGQ-JZKJUIAGSA-N 510.502 5.056 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260762994 GETDDHIGFUMEGC-LJQANCHMSA-N 700.041 6.399 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261090257 TXGFVFSGXSUOBG-UUWRZZSWSA-N 741.694 6.826 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 408565891 DDBARRSSYGBMLR-SANMLTNESA-N 555.056 6.326 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1 408665763 ZJYDVMWINJWFSH-AJBRRXLCSA-N 667.630 5.539 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)S2)cc1 408781217 BKZSXUIFTVJKCB-AOLPSBPOSA-N 713.335 6.545 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408823961 GCAZSZTXEPUDPE-UAMLYEQYSA-N 692.588 5.835 5 40 KKBB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 408918368 JPBRNHHXBKXWNW-ZRDDSIGQSA-N 509.743 5.104 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409091761 UGOBRMTXXRFEHB-FZTAYZORSA-N 538.556 5.044 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(OCc3cccc4ccccc34)cc2)N1Cc1ccccc1 409131694 YRUWGLFTTHXRGB-LHEWISCISA-N 605.694 8.688 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409155928 JHYUCZAXECTNMC-FSJBWODESA-N 564.532 5.287 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409179652 RAKJPQSUTRAORO-UHFFFAOYSA-N 632.975 6.117 5 40 KKBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O 409206737 WTOQXYYPDBGCJC-VXLYETTFSA-N 603.369 6.548 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c1 409271418 CSAPEEKHVIKITJ-ZVHZXABRSA-N 517.563 5.466 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 409331971 IVYTUIHVLUJTGT-NDEPHWFRSA-N 561.660 6.690 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccc(Cl)cc1)N2 2253190 MJBYQPQLTYHPTN-MFIPAATESA-N 533.375 6.201 5 40 KKBB COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)nn32)cc1 2255888 XMBQHNOKFMFMFS-OAQYLSRUSA-N 537.363 5.810 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1 8383895 KYOYPRKEHVALPF-YDZHTSKRSA-N 660.442 6.112 5 40 KKBB COc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 8900766 DOTWQMQWXINWBB-UHFFFAOYSA-N 500.511 5.454 5 40 KKBB CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2sc3c(c2c1=O)CCCC3 12311361 OYPZCFFDZFVDES-ZDUSSCGKSA-N 521.064 5.674 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1)Nc1ccc([N+](=O)[O-])cc1 59474822 TVSVAYMCRQGVAY-UHFFFAOYSA-N 514.588 6.341 5 40 KKBB CCn1c2ccccc2c2cc([P@@](=Nc3cc([N+](=O)[O-])ccc3C)(Oc3ccc(Br)cc3)C(C)(C)C)ccc21 97984390 PEYAFPMLCZZZMS-LDLOPFEMSA-N 604.485 9.744 5 40 KKBB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5ccc6c(c5)oc(=O)c5ccccc56)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 102805281 HCSFRBRVRMVEBY-PPNKNWNOSA-N 652.916 10.668 5 40 KKBB CCCCc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)nnc2-c2ccc(C)cc2)cc1 103103902 ROYMOBIXDDEVQT-UHFFFAOYSA-N 531.638 6.233 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(Br)c(Br)c1O 106739333 UNKKHANJNCXPMY-QPEQYQDCSA-N 544.177 5.071 5 40 KKBB Cc1ccc(-n2c(COc3c(C)cccc3C)nnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 107699942 UQAMEZRJNNRUDC-UHFFFAOYSA-N 517.611 5.719 5 40 KKBB Cc1ccc(-n2c(COc3c(C)cccc3C)nnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 108357968 MCCXXNXMKDCEHJ-UHFFFAOYSA-N 538.029 6.064 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccccc3)cc2s1 164035596 ATIKUACWPNKHAF-UHFFFAOYSA-N 696.880 8.781 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br 215093687 NXOSVGMJHNDSCA-SRZZPIQSSA-N 556.350 6.294 5 40 KKBB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 216520371 QVLRDSQLNBYVGI-UHFFFAOYSA-N 545.617 5.625 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 222864518 WNASSZDRAPZPOS-AREMUKBSSA-N 598.494 5.157 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224575130 WYBPASVNMYLGOR-MHZLTWQESA-N 659.205 5.649 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 261120937 ZFUAWEGVSBYROJ-KMRXNPHXSA-N 649.597 5.531 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 408564382 CMCHXCHQZOMPNL-JDKFTNMGSA-N 532.811 5.794 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)c1 408577037 YLARDXXLUXFNBX-DEOSSOPVSA-N 539.455 6.336 5 40 KKBB O=C(O)/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2ccc(Cl)cc2)o1 408633917 NJEQNMIKUXLTFC-MTJSOVHGSA-N 588.823 6.858 5 40 KKBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 408651697 NVRUDHDLCOEDAC-YICQYGDHSA-N 636.444 5.558 5 40 KKBB CC(C)[C@@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408652892 IMLHVTLKOFHXMM-PLKBCFBZSA-N 613.881 5.909 5 40 KKBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408652931 PFLMKHDIJANJTE-LWLYFKJCSA-N 606.034 5.769 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408676694 BFDCJZYUIVHYBA-QYVZARNFSA-N 529.552 5.044 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408677893 CDVXDRKOFUEESV-ZYNNUQKQSA-N 669.088 5.507 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Br)cc1 408680811 GWTNPWFKTZVRBM-QKCPIRFBSA-N 730.997 6.044 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1cccs1 408773903 TZAGHQLBUZMUJO-MFUBYVTQSA-N 813.433 5.556 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)S2)cc1 408781218 BKZSXUIFTVJKCB-QDNAUZDWSA-N 713.335 6.545 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408824185 GDVMGTIJCWJTIW-YVBHXKDBSA-N 708.587 5.455 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408992058 ZKCZEPMUMIOUHV-OTHIGLTOSA-N 712.180 6.093 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409101420 XPDYIULRJYGDMZ-NLTKXKDSSA-N 667.794 5.507 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409165675 AVUUDKXGSDPMNI-YDZHTSKRSA-N 553.980 5.511 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409176153 IWMPBVNEHYAVLV-VULFUBBASA-N 568.438 6.882 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409177660 HONDXCMIQXQOQU-UHFFFAOYSA-N 547.501 6.712 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 409183184 SLIRIBDPWZWTFD-FSJBWODESA-N 650.429 7.406 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1c(C)cccc1C(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409257364 SHSXORUGXCZOHK-UHFFFAOYSA-N 546.045 5.831 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409270513 GXELKXJULNATPL-AFUMVMLFSA-N 547.589 5.474 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409274211 NSKUKMFVCAFTDK-YDZHTSKRSA-N 508.939 5.746 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409276749 VVRLJOJHCAFMNM-QQXSKIMKSA-N 527.558 5.548 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C(C)C)cc4)C3=O)o2)cc1[N+](=O)[O-] 409338565 MERFUHHOQLPRCU-YDZHTSKRSA-N 505.552 5.962 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409358963 MEXNTKYYIRZPEO-RBMXVJLZSA-N 794.451 6.514 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CSCc2ccc(Cl)cc2Cl)n1C 409362782 SWJKPQPKZMRADE-UHFFFAOYSA-N 512.444 5.503 5 40 KKBB C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)C(CCC(=O)O)=C3C 1560408826 PZDNPELRSMRBJQ-UHFFFAOYSA-N 532.644 7.450 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1 9192630 HRPBRUTUTQCPET-WYMLVPIESA-N 511.519 5.584 5 40 KKBB C[C@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 12530261 YLOHQTJDGIKJLZ-LBPRGKRZSA-N 504.515 6.405 5 40 KKBB CCOc1ccc(-c2cc(C(=O)NCc3ccc(C)cc3)c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c3n2)cc1 20849688 WCVNNHSKKBLYIR-UHFFFAOYSA-N 507.550 5.837 5 40 KKBB O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 38163572 HSCJQPUWKWBULL-UHFFFAOYSA-N 500.492 5.495 5 40 KKBB Cc1ccccc1-n1c(COc2ccc(Br)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 98005225 UJDIJVBPTCZYMK-UHFFFAOYSA-N 539.411 5.800 5 40 KKBB O=C(COc1ccc2ccccc2c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 102968135 XXUYTCZNLKJVAE-CNXLPJHSSA-N 562.582 6.858 5 40 KKBB O=c1/c(=C\c2ccc(-c3cccc(Cl)c3)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 103790932 HZVZUAIJWPHBFX-NULZLWRNSA-N 566.038 6.140 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)[C@H]3c2ccc(OCC)cc2)cc1 104056825 OMOKKGZHHSVWMZ-TYKYSTQSSA-N 610.711 6.666 5 40 KKBB Cn1ncc(Cl)c1C(=O)Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 150449888 DLKFXFHHWOSJMG-LSQMVHIFSA-N 652.845 5.015 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 208358692 SRBDFIUZBINZOY-YLKQWKBVSA-N 609.660 5.437 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 224750094 SXMLNXLPFAWDGH-KYJUHHDHSA-N 563.639 6.759 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224757717 LXQSZKIKMDCQQC-AREMUKBSSA-N 663.168 5.479 5 40 KKBB CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224768912 SPLJXYOTBKJVDT-FTJBHMTQSA-N 529.691 6.875 5 40 KKBB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1OC 225305841 FHYKPBALKUTDLJ-RRPNLBNLSA-N 559.604 5.020 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 408563198 AAUKIXHAHKGDMC-UYDITSSVSA-N 542.419 5.493 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1C 408566662 FYEYALBDUAABQL-RUZDIDTESA-N 543.476 7.188 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408567084 GITJYLZDQJIJPK-XMMPIXPASA-N 656.361 7.872 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1 408571010 MSSPYMVDIJLEJG-AREMUKBSSA-N 647.979 7.478 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 408573993 UIXIMMNVTBIVNX-AREMUKBSSA-N 597.535 7.043 5 40 KKBB COc1ccc([C@@H]2C=C3c4c(ccc5ccccc45)OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]32)cc1 408729658 BUJYPBHBXXAXMH-UUAGDVGUSA-N 560.562 5.587 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408812141 CDQJCYGQRJQXAP-HMAPJEAMSA-N 555.406 6.576 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408834901 WFBHESVWVIAPPG-UQDCTOEPSA-N 648.535 5.356 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 408839474 SWLQNWCEWQIMMN-VXLYETTFSA-N 639.038 6.451 5 40 KKBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2)cc1 408921740 WKINJPTWVSSXAV-ZXVVBBHZSA-N 529.574 5.584 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409033170 NHKQRVFUURZHAK-PNQAETMRSA-N 766.667 6.243 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409037529 CWULUOMXLAUNSR-CQZYKPRISA-N 827.619 5.129 5 40 KKBB Cc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2268801 JHWZSBRSBBTCNL-NDEPHWFRSA-N 505.039 7.906 5 40 KKBB Cc1oc2cc(Oc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])ccc2c(=O)c1Oc1ccccc1 6142584 RTJFCMCIZPPWEL-UHFFFAOYSA-N 502.357 6.521 5 40 KKBB Cc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccccc4Cl)cc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 33356368 ZBTFFFIKXGQQDY-UHFFFAOYSA-N 554.990 5.001 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 100342111 OYSRNMMEPGZPMG-YDZHTSKRSA-N 521.507 5.327 5 40 KKBB C[C@H](NC(=O)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1)C12CC3CC(CC(C3)C1)C2 104813175 CIJSUHKMJIWFLJ-DCWZBLQKSA-N 547.051 8.168 5 40 KKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1Cl 106700692 DFZDHMZQNUSTRF-JJFYIABZSA-N 515.374 6.717 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214976797 MSPRLVBLMOQROD-ZVHZXABRSA-N 569.433 6.572 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223156530 QCVPHBFZLZVVKS-JGCGQSQUSA-N 693.222 5.845 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224426287 AOHJRHXVPNZSPZ-AREMUKBSSA-N 537.657 5.522 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C 225169551 FGDBTBYWWQBDHC-RRPNLBNLSA-N 527.606 6.084 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225441268 OFIVKWXCHHNPMK-NDEPHWFRSA-N 578.507 5.989 5 40 KKBB COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C(=O)NC2CCCC2)cc1 260792416 MALCEKIYUAVJNR-JOCHJYFZSA-N 673.188 5.245 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 408566141 NCMLLRQVRSPGEY-GVPYKBAUSA-N 516.356 5.280 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408567819 RMOPCJFNFZEDKC-MFTACUCHSA-N 621.315 6.256 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1ccccc1 408571389 OPEOQHZESPBAMK-HSZRJFAPSA-N 594.318 7.334 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCC)c(OCC)c2)cc1 408573098 SLVBBGGGIJNSOF-NRFANRHFSA-N 551.463 5.644 5 40 KKBB CC(C)[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408681823 JOPUQQUHNDECQI-GOSISDBHSA-N 563.177 5.011 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4ccc5ccccc5c4C3=C[C@H](c3ccc4c(c3)OCO4)[C@@H]2C1=O 408731122 JBABRQLRHGCBIV-YUJRYHFISA-N 574.545 5.307 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409090206 MIKOKUNDVHKPQH-JPAPTLSNSA-N 738.613 5.464 5 40 KKBB COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409119281 SMUQYEKWOCEYDH-ZDLGFXPLSA-N 528.302 5.280 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409139351 CWXOBPIRNDKPJX-KEQCBNTKSA-N 636.155 5.306 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1-c1ccc(Cl)cc1Cl 409154160 JXXGYFVVXHAASP-UHFFFAOYSA-N 549.465 6.343 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O 409154644 OUBNXYNFZIKKRO-OEAKJJBVSA-N 517.563 5.466 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)ccc1Cl 409155519 LJGICSNJZZDBDQ-WPWMEQJKSA-N 573.070 7.278 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 409171516 CTKDHJUNDSGIJR-RGVLZGJSSA-N 511.943 5.800 5 40 KKBB Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1C 409177683 CBPITTWSCYMTLI-MUUNZHRXSA-N 534.524 5.793 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409224956 MTWOYMSSAXPRTA-WYMPLXKRSA-N 585.997 6.040 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(-c3ccccc3[N+](=O)[O-])o2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409373452 TVYXJHRFUCFFNU-UHFFFAOYSA-N 547.571 6.843 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409378728 QWMBDBZZTVPVMZ-VYYCAZPPSA-N 652.523 5.956 5 40 KKBB O=C1[C@@H]([C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2c2ccccc2)C(c2ccccc2)=NN1c1nc(-c2ccc(Br)cc2)cs1 1547139850 STLHCRWWMCXUDD-VIGQZIKWSA-N 929.676 10.585 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 2807274 MVCSSDJEQHUZQO-UHFFFAOYSA-N 520.427 5.763 5 40 KKBB CC(C)(c1cc(Cl)c(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1)c1cc(Cl)c(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 4016348 JKTSSZRNECOVQM-UHFFFAOYSA-N 664.281 8.881 5 40 KKBB COc1ccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(Br)cc2)C3=O)cc1 20212838 HZYYBICYPRIYFG-QHCPKHFHSA-N 505.328 5.506 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1 22847475 UKWJIEIDMDSAGB-UHFFFAOYSA-N 523.018 5.760 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccccc1 27499966 DSJKBYOLWRBFOG-OXWVMCNISA-N 504.611 5.105 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 33354198 ITHYJZTURXOKBD-KARJICKBSA-N 543.579 5.037 5 40 KKBB O=C(CSc1ccc(Cl)c(SCC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 39929713 WPDWLLDGJQVOQD-UHFFFAOYSA-N 502.957 6.106 5 40 KKBB CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1 40164410 OENHQHLEOONYIE-KBPBZLIPSA-N 536.888 12.606 5 40 KKBB endogenous,in-man O=[N+]([O-])c1ccc(-c2csc(N3N=C4/C(=C\c5ccc(Cl)cc5)CCC[C@H]4[C@H]3c3ccc(Cl)cc3)n2)cc1 97983152 ZGIZYGDUIOIIGA-LLVBUMRLSA-N 561.494 8.826 5 40 KKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@H](C(C)(C)C)CC4 100344647 ZVVNQEYLUMQHCE-CYBMUJFWSA-N 526.644 5.138 5 40 KKBB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 100390346 WWDNHBZCYPEPSQ-AMIJONBRSA-N 516.937 5.931 5 40 KKBB Cc1ccc(-n2c(C)c3c(c2C)[P@@](=O)(Nc2ccc([N+](=O)[O-])cc2Br)N(c2ccccc2)N=C3)cc1 102937822 MDSKPJXWSUKGNG-PSXMRANNSA-N 564.380 6.858 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 150395232 MHXKHPQSHYWRGT-FWESEHMYSA-N 642.089 5.766 5 40 KKBB O=C(Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 150397417 IDMZNZQCQSAUNV-UHFFFAOYSA-N 698.556 5.543 5 40 KKBB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)ccc1Cl 150449321 SXEPWZRUNIZTED-UHFFFAOYSA-N 651.506 5.764 5 40 KKBB O=C(Nc1cccc(S[C@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 150484854 DXCKGMWDEDEVEI-WAWVYTBHSA-N 636.642 5.127 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 197764418 MHHBJWWOIMXAFG-JOCHJYFZSA-N 610.678 5.096 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 214078686 XYDVQQAKRUKJKV-WSDLNYQXSA-N 545.400 6.726 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222527586 NKHQWEKVTMQLHU-AJTFRIOCSA-N 675.204 5.491 5 40 KKBB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224333096 QLTLDVYJYRIWTN-DEOSSOPVSA-N 651.569 5.357 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224944034 YZZAGJYFSLILPH-YTTGMZPUSA-N 711.212 6.064 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225537665 JELOQWXVRHRSEX-AREMUKBSSA-N 598.494 5.301 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)cc1 408568614 ICKDJXVNWNCJSP-DEOSSOPVSA-N 539.455 6.336 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 408570920 MIBVMYUGSGMCET-VWLOTQADSA-N 614.478 6.334 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(OC)c(OCC)cc2Br)cc1 408572686 RTGNEPXDNZLMAI-NRFANRHFSA-N 537.436 5.254 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1F 408575546 WMIDCGDUOGTNSZ-XMMPIXPASA-N 587.471 6.565 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1)c1ccc(Br)cc1 408750046 KBAMTPMFTIEWCY-UHFFFAOYSA-N 572.418 5.893 5 40 KKBB COc1ccc(OC)c(CSc2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C(=O)O)cc3s2)c1 408750362 LUSITRLKJUBZAH-UHFFFAOYSA-N 525.564 5.465 5 40 KKBB CCOc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1 408838170 COTXQOJRJBJYMP-UHFFFAOYSA-N 535.965 5.762 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(S(=O)(=O)c5cccc([N+](=O)[O-])c5)c5ccccc45)c(=O)n32)cc1 408845772 LLBCTXKMJFRSHT-IKHSWBDUSA-N 719.801 5.373 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 408916795 ZDOBTIJWCVSQAI-CWJUKMOQSA-N 828.504 6.851 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 408996645 LVLBHOUNLSZLQP-FPWMYLJGSA-N 708.705 5.562 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1 409157703 WFQLIRGLJVWUQC-DFXMODJXSA-N 635.698 5.729 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409196485 ZLJQLVPSGAATNW-VMCUCKNMSA-N 757.338 7.693 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)Nc1ccccc1Cl 409224528 ICHWSNLAYGINQR-WSDLNYQXSA-N 649.850 6.107 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409275087 HZAZYZIMWOYNPF-WGJPBTIMSA-N 717.642 5.851 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 1316513 VOSIDTGGCYSXFF-ACRUOGEOSA-N 518.740 5.606 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(OC(=S)Nc2ccc(I)cc2)cc1 1434824 GWONOOSUTGJROQ-UHFFFAOYSA-N 519.320 5.228 5 40 KKBB CCN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Oc3ccc4ccccc4c3Cl)c(Cl)c2)CC1 6078565 FTSHJVMJZMTPPL-UHFFFAOYSA-N 565.457 7.241 5 40 KKBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2c3c(nc4ccccc24)CCCCC3)c2ccccc2)c([N+](=O)[O-])c1 12660886 HAXZRUAUTNCPLT-NDEPHWFRSA-N 509.562 6.257 5 40 KKBB CC(C)(C)c1ccc(N(CCN2C(=O)c3cccc4cccc(c34)C2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1 13301859 YZTLDKVMLSUFTH-UHFFFAOYSA-N 521.573 5.989 5 40 KKBB O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14278284 XDQZXURELGDNHP-UHFFFAOYSA-N 501.498 7.582 5 40 KKBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 59885919 HCTVBQGAMBQORT-UHFFFAOYSA-N 536.429 5.030 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1c(F)cccc1Cl 100341713 BCONVUBGCYTHBA-SSDVNMTOSA-N 577.815 6.965 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 102473854 KAMVSGGANDFDTA-YCAMKHIRSA-N 567.907 5.540 5 40 KKBB COc1ccc(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl 102917058 JEULMRUZMZHBDD-UHFFFAOYSA-N 537.981 6.032 5 40 KKBB COc1cccc(-n2c(S[C@@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c3ccccc3)nc3ccccc3c2=O)c1 103088875 YGGOBMSENIBGNW-HHHXNRCGSA-N 552.612 6.083 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)cc3n2)cc1 104329709 GYZSATOFIHJYNR-UHFFFAOYSA-N 540.580 6.004 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105312044 OJHDNKYJGOEBHT-UHFFFAOYSA-N 554.053 5.488 5 40 KKBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105312215 SPRVABXNQODLDR-UHFFFAOYSA-N 517.954 6.178 5 40 KKBB C[C@@H]1C[C@H](N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 105513255 RWJJXSVSKATMDR-RCRUUEGKSA-N 564.598 6.188 5 40 KKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 108583015 PVPUOUGIAXXWSO-UHFFFAOYSA-N 554.371 6.671 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(-c2ccc(Cl)cc2)o1 109713724 SQBMGOHGLDVTSU-UHFFFAOYSA-N 554.072 5.335 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 109975343 LFAGUAGRUXAMIM-FUFNRSNVSA-N 571.655 5.398 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 111469967 IBSOWKDWOFEXFI-JQTKYWOZSA-N 595.608 5.243 5 40 KKBB COc1ccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 140105616 JPEMCQXDDZJVEN-PMERELPUSA-N 559.644 5.321 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 150396608 HZYVGWLNGJBTNY-FWESEHMYSA-N 658.157 6.479 5 40 KKBB COc1ccccc1-n1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 150408960 ZXJJMICSZYQNPW-AREMUKBSSA-N 671.736 5.785 5 40 KKBB C[C@H]1C[C@@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 163936567 AVMMTHFOWFBPDJ-HFJWLAOPSA-N 717.612 10.066 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222761952 YPANFUODNWBFFX-AREMUKBSSA-N 621.543 5.429 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223249636 QCXOHNQOHHUXDS-JGCGQSQUSA-N 693.222 5.845 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)o2)c1 223957304 XDSAIFGEHYZVHK-RRPNLBNLSA-N 527.606 5.264 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224392179 GZAPIICLLDROFF-SANMLTNESA-N 537.657 5.522 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224415794 QAQVLUKBCQAGOK-RUZDIDTESA-N 538.442 5.066 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225294319 IDBOOCGKZCEMPZ-XIFFEERXSA-N 642.778 5.655 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c1)[C@@H]1CCCN12 408565502 LAHAGXJDTNRDCM-CWWSAELMSA-N 558.849 6.280 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 408568199 HWIUDJVQGOZHSP-VWLOTQADSA-N 587.471 6.565 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408638356 CHPSJOBEFKHYLY-SADWXVNCSA-N 841.098 7.808 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(OC(=O)c2cccs2)cc1 408650158 ZPCQPYDQRZNNMZ-UHFFFAOYSA-N 871.108 7.462 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408920815 NZMRIXDKYJSAFX-XHLNEMQHSA-N 549.608 6.728 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408943479 HOXYGJVQVJHAJK-YWEMJKAQSA-N 676.751 5.768 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)c1 409096958 FKPPWHDOISDIQA-WSDLNYQXSA-N 644.276 5.539 5 40 KKBB COC(=O)COc1cccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)c1 409114852 JPTSSRWYTZASDV-SSEXGKCCSA-N 537.572 5.508 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl 409166798 GQGWIOIVWUNMOX-YDZHTSKRSA-N 584.006 6.058 5 40 KKBB O=C1S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C(=O)N1c1cccc(Cl)c1 409213902 VPDZVECVFFHINH-MFKUBSTISA-N 516.962 7.221 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)Nc1cccc(F)c1 409238282 MLDJZTRZDCUZKN-SSDVNMTOSA-N 633.395 5.593 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Cl 409272678 OBVDTEFUEXVSIX-OEAKJJBVSA-N 583.022 5.340 5 40 KKBB O=C1S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1c1cccc(Cl)c1 409273852 MBSPTNXPKOPGNE-JMIUGGIZSA-N 520.872 7.300 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1cccc(OC)c1 409274761 XMEPTBKWARSNIV-IEIVDPGYSA-N 638.746 5.089 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc45)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409359094 MLAJIWLEGBRMSA-HWANIQDNSA-N 663.752 6.146 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1cccc(Oc2ccccc2)c1 3272279 WQMKPKJKXRRBFE-UHFFFAOYSA-N 509.569 6.433 5 40 KKBB CC(C)(C)c1ccc(OCc2nnc(Sc3ncc(Br)cc3[N+](=O)[O-])n2-c2ccccc2)cc1 3670062 URVWMIFPRKTGHU-UHFFFAOYSA-N 540.443 6.361 5 40 KKBB CCc1ccc(C2(c3ccc(CC)cc3)S[C@@]3(SC(C(C)=O)=NN3c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 8443965 AUVSCTWNJWXWBY-XIFFEERXSA-N 579.747 8.025 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)c3c(nc2c1Cl)-c1ccccc1CC3 8444891 AJUVBNRIUDKKMB-UHFFFAOYSA-N 619.987 7.609 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 16195487 SQTISJAWRRPIGI-UHFFFAOYSA-N 510.805 6.344 5 40 KKBB CC[C@H](Sc1nc2ccc(Br)cc2c2nc3ccccc3n12)C(=O)Nc1ccc2c(c1)OCO2 33357845 ZDOUGEMQAKJFCT-QFIPXVFZSA-N 535.423 6.036 5 40 KKBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2s1 59331504 JUQFEKIEUUCFNO-UHFFFAOYSA-N 517.636 5.907 5 40 KKBB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2c3ccccc3cc3ccccc23)C(=O)N1c1ccc(Cl)c(Cl)c1 102739773 JWHXOMINVDSPGA-YTCPBCGMSA-N 539.418 7.351 5 40 KKBB COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103627339 ZMIHIEGLVVBBGF-HPNWTYDNSA-N 571.589 5.460 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112244004 UJEFAPSKNCVCTC-UHFFFAOYSA-N 573.403 6.408 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c1 138695908 XESDOFSZMQRBCQ-UHFFFAOYSA-N 536.338 5.377 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 163219899 UDZZXFOMMBKDSE-YXDQGSNCSA-N 703.365 5.500 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163620506 ZWLLBTWJFLBSCZ-RWTNITNYSA-N 848.819 6.848 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223768758 PXARRCGUHFNCTM-ZBLYBZFDSA-N 598.563 6.145 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223883113 UDNHVUZHBPBTDG-RBTNQOKQSA-N 649.597 5.531 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260738332 AHWDDWIBKCCXDJ-HXUWFJFHSA-N 665.596 5.746 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261109026 XNJMBJQLMWTBLH-IEWVHIKDSA-N 628.751 5.345 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 408570935 MKJFOKMVFAOOFR-HSZRJFAPSA-N 563.438 6.719 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633242 JHVQTCGVAPIDPA-BKUYFWCQSA-N 510.959 6.313 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408734349 XEJXULLJFDQECZ-FIXXDFOUSA-N 720.587 6.861 5 40 KKBB Cc1cc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc4ccccc24)C3=O)ccc1Br 408758333 XYYOBDIPFAKFNW-UHFFFAOYSA-N 537.369 7.440 5 40 KKBB COc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c1 408839306 QLLMEQKUOFNNQG-UHFFFAOYSA-N 521.938 5.372 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409032076 ITPQGVUFLBXKLQ-GWRYVSOYSA-N 757.059 6.497 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409032854 JQQKBAWWMJAQIN-IVRZUQNJSA-N 892.519 5.603 5 40 KKBB O=C1N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1cccc(Cl)c1 409099344 LHGVANXCGLNELK-KEBDBYFISA-N 701.642 6.134 5 40 KKBB COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409181178 YNTMIXRCUDJJEM-MHZLTWQESA-N 570.941 5.838 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409194775 RBKLSXSJVOADNM-YNLGFCNJSA-N 518.909 5.610 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc5ccccc45)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409360106 OZORDOMBFIRBHE-VNOBABJFSA-N 789.648 6.750 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409360792 PYHPKPYNQRYKQU-ZWTBYVTRSA-N 866.428 5.711 5 40 KKBB COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 1899142 OZVUGHFTDCZEOD-GDLZYMKVSA-N 555.598 6.893 5 40 KKBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2C)c1C 2757879 UYYBMVXHZBBJKG-UHFFFAOYSA-N 501.948 5.608 5 40 KKBB O=C(CSc1nc2cc(C(=O)NCc3ccco3)ccc2c2nc3ccccc3n12)c1ccc(Br)cc1 2970632 VOPQYFJKKINHJE-UHFFFAOYSA-N 571.456 6.296 5 40 KKBB NC(=O)c1ccc(NC(=O)c2ccc(Oc3cc(Oc4cccc(Cl)c4)cc([N+](=O)[O-])c3)cc2)cc1 3143813 ASVRJFZVSHCKSQ-UHFFFAOYSA-N 503.898 6.184 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1[N+](=O)[O-] 22843270 QNNZZULQWJGUFI-INIZCTEOSA-N 518.595 6.442 5 40 KKBB Cc1nn(-c2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)N1C(=N2)C(O)=Nc2ccccc21 96022048 QZIIULPEXRMRHI-WJOKGBTCSA-N 632.702 7.286 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1cccc(COc2ccccc2Br)c1 97948773 JDEYERFZYNCREM-UHFFFAOYSA-N 602.898 6.599 5 40 KKBB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@H]12 101460290 ZRHIGDZIDKQKSO-JYIOINSGSA-N 524.529 5.446 5 40 KKBB CC(C)Oc1ccccc1NC(=O)CSc1nc(-c2ccc([N+](=O)[O-])cc2)nn1CC(=O)Nc1ccccc1OC(C)C 102440724 POMXWRMCCYHGLQ-UHFFFAOYSA-N 604.689 5.797 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc4c(c3)OCO4)CCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2 102928414 VXGNXCVRIIXHSM-TWHQUBANSA-N 610.623 5.326 5 40 KKBB COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 106016293 SUUFERUYZMLAHJ-MPFGFTFXSA-N 614.010 5.836 5 40 KKBB COc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4ccc(OC)cc4)c4nc2C=C4)C=C3)cc1 150356631 SKXWDGDNWBYACJ-UHFFFAOYSA-N 734.856 11.358 5 40 KKBB CO[C@H]1/C=C\C=C(/C)C(=O)Nc2cc3nc4cc(Br)ccc4oc-3c(c2=O)C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@@H](C)/C=C(/C)[C@H]1OC(N)=O 150387608 GBAQGGXRNHNHMV-RXHLNSMZSA-N 698.611 5.516 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(Br)c(Br)c1OCc1ccccc1 150466042 VSXAQKGAMBOXCV-BKUYFWCQSA-N 648.329 7.334 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1ccccc1 408571168 NYYFNLPLKPMOEK-QHCPKHFHSA-N 559.873 6.681 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1C 408572421 RDJOIYBLRHRQGH-DEOSSOPVSA-N 577.921 7.842 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 408576147 XKADSZPGXYRVOI-ACUUJPJHSA-N 577.262 5.903 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Br)cc1 408643386 PIEQTLIZJQMLIY-WVZRZZCNSA-N 730.997 6.044 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408688326 VZDVUQZXSJVDLI-UHFFFAOYSA-N 716.962 6.498 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)cc1OCC 408933033 GUUWWCJZOPTERF-WWDVYCDYSA-N 726.811 6.848 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)c1 408937410 QPIVXCREJRMYJJ-UUYOSTAYSA-N 755.328 6.366 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409086490 VTXVIDVPSHFCKA-IVQFASICSA-N 701.599 5.789 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409154998 PFIBLJFRRRZYBC-WSDLNYQXSA-N 585.978 5.369 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)c1 409178924 KMQYXULMAJVQHO-JGCGQSQUSA-N 633.012 7.622 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409227389 YGCXSRVZEPCWAP-AUEPDCJTSA-N 616.967 6.162 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1Cl 409272422 GQWIXEYEXGEMIN-SRZZPIQSSA-N 527.942 5.500 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 409322926 YRCBTKIINHLZFL-UHFFFAOYSA-N 552.834 5.149 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4ccc5ccccc5c4C3=C[C@H](c3ccccc3)[C@@H]2C1=O 409336664 USBKVMWMUCVHAX-URENDEMCSA-N 530.536 5.578 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)o1 409384299 APSIMTBQOCRXBD-SRZZPIQSSA-N 603.403 5.561 5 40 KKBB Cc1cc(C)cc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2)c1 9933785 OYBGTKAQMPYIDV-HXUWFJFHSA-N 526.601 5.940 5 40 KKBB CCOc1ccc(OCc2cccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)c2)cc1 13644148 UFTMPIQGFIXVCA-UHFFFAOYSA-N 517.561 6.778 5 40 KKBB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2[N+](=O)[O-])N(c2ccc(Br)cc2)C3=O)cc1 20212855 KNJIDCFBFXCQQJ-HSZRJFAPSA-N 505.328 5.506 5 40 KKBB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)NCc1cccs1 25398001 RDBPJYXIQAUVRI-XMHGGMMESA-N 513.575 5.555 5 40 KKBB O=C(Nc1cc(Sc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1Cl 33354217 MNOJYXIVQQVROY-UHFFFAOYSA-N 666.838 8.282 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 106008835 UWQAIJLBLPJNFM-UHFFFAOYSA-N 545.960 6.408 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(Br)cc1 150454867 KDHBVFJYPDGNMV-NHDPSOOVSA-N 683.172 7.698 5 40 KKBB CCCC[C@@H](CC)Cn1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 150456251 XNURPPMMQTZCLV-OAQYLSRUSA-N 644.710 7.011 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163648741 WTDQPVRSCNPAJZ-USDTVRPUSA-N 694.087 6.635 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccccc1 164524190 TXJOXFVXEZIWGC-KUSDHMTMSA-N 869.475 6.632 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1c(F)cccc1Cl 215120766 YYWRKUKHINNIEP-ZVBGSRNCSA-N 631.785 8.197 5 40 KKBB C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223984240 SPDPXZKRHKLYNR-FQEVSTJZSA-N 633.554 5.573 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224537272 PCGAQEJZZFUHBD-YTTGMZPUSA-N 776.139 7.622 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225394851 IWNPTBDJUHDOIH-AREMUKBSSA-N 554.043 5.192 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)C1 260927594 ZCUHWIAVXUBRDS-GBJTXXJHSA-N 588.133 7.563 5 40 KKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1cccc2ccccc12 408541016 AUKLYOTWVLFYRT-QXMHVHEDSA-N 556.356 6.797 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1 408571021 MVINGLPCNKGRMA-SANMLTNESA-N 504.612 5.972 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408684185 MYWHLECOAOPYMV-TUSFPTNYSA-N 658.536 6.252 5 40 KKBB COc1ccc([C@@H]2C=C3c4c(ccc5ccccc45)OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 408730800 HVWKTSBXFLPKIR-IZVMYAONSA-N 576.561 5.287 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733410 IKZFEZUFKKFSSQ-PNQAETMRSA-N 686.142 6.208 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733411 IKZFEZUFKKFSSQ-RIFKOAFWSA-N 686.142 6.208 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 408820907 AIWQDVCEFXTNRE-ZSJKCPIUSA-N 747.849 6.464 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409016223 FLKYJARFMFEZRK-YDZHTSKRSA-N 609.433 5.175 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c2=O)=N1 409035649 JWEBZVNONHUALB-FSIJRYPJSA-N 759.284 8.273 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c2=O)=N1 409038969 GBGUYRHDTSMPBY-KMBIYUNPSA-N 652.498 5.187 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1cccc(Cl)c1 409163017 KTBBIIMDDGKETL-NHDPSOOVSA-N 560.440 6.728 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409167732 JLUSXHWRAKLRCY-OAQYLSRUSA-N 565.483 5.679 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1 409172970 JVJMJRGHZZTBCK-UHFFFAOYSA-N 529.548 7.642 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4Cl)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409175204 XNEIKBZOYPGYIF-PIXWUVMMSA-N 604.084 5.247 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409177074 CGHAZXAWFLDOQK-UHFFFAOYSA-N 631.937 5.798 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409180512 YVXGASSBUBNFDJ-UHFFFAOYSA-N 566.035 6.066 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 409221821 VHUILMORRBPZGC-WSDLNYQXSA-N 771.327 6.067 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409226475 UCINYQIJMDQGGT-MFKUBSTISA-N 518.547 5.492 5 40 KKBB O=C(OC[C@@H]1[C@@H](COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1(Cl)Cl)c1ccc(Cl)c([N+](=O)[O-])c1 2665391 FGJGHSIDLZJXNM-VXGBXAGGSA-N 538.123 5.244 5 40 KKBB COc1ccc2[nH]c3ccc4cc[n+](CCN5CCC(C6CCN(CC[n+]7ccc8ccc9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 4215707 NHUWXMNVGMRODJ-UHFFFAOYSA-P 718.946 7.978 5 40 KKBB in-man C[C@H](Nc1cc(N2CCN(C(=O)c3cc(F)c(F)cc3Cl)CC2)ccc1[N+](=O)[O-])c1ccccc1 8816345 FODVQDZJVJGBFM-INIZCTEOSA-N 500.933 5.662 5 40 KKBB COc1c(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc2ccccc2c1Br 8898678 WEDZMXSFBAZSGI-UHFFFAOYSA-N 504.768 5.135 5 40 KKBB O=C(N[C@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)OCC1c2ccccc2-c2ccccc21 71788141 OENCMORJQAUAAJ-XMMPIXPASA-N 534.525 5.077 5 40 KKBB Cc1ccc(-c2csc(NC(=O)CN3CCN(C(=O)c4sc5cc([N+](=O)[O-])ccc5c4Cl)CC3)n2)cc1C 97948428 GVGHKNXKQBHXJM-UHFFFAOYSA-N 570.096 5.600 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 150391789 BASHMEGAGAMVNC-FWESEHMYSA-N 642.089 5.766 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 205665820 DQUSQOLZQFEGLF-FOKLQQMPSA-N 596.942 7.834 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222791856 NGDTVEICLSRZOH-XMMPIXPASA-N 546.476 5.521 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223857384 NRBZDWPBZABNTP-JOCHJYFZSA-N 526.486 5.859 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224292131 NEDIXSHEUUAFEO-VWLOTQADSA-N 508.018 5.346 5 40 KKBB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1CCCN1CCOCC1 224769064 VOQRHDOGDAAWRS-ROJLCIKYSA-N 628.824 6.459 5 40 KKBB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225617439 GQCMCXAQXDWWHW-IBGZPJMESA-N 607.516 5.039 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225701161 QROSBIBSBMHPKR-CCLHPLFOSA-N 635.570 5.819 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(F)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 250577854 LNOWRYJZHHMYLY-OOIQZMFUSA-N 526.520 5.175 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Br)cc1 408557112 MXHBUILTRGLHMG-UHFFFAOYSA-N 583.220 6.552 5 40 KKBB CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OC 408564803 AIITZSGIMQIHQF-LJQANCHMSA-N 507.410 5.164 5 40 KKBB CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565659 LQJWUXROMABDOO-VPHKFGTKSA-N 542.817 5.203 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c1)[C@@H]1CCCN12 408568878 VCTDNYRZUARHSV-TUPPOGIXSA-N 558.849 6.280 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 408573589 TXIGWPVKBKGDEE-RUZDIDTESA-N 617.953 7.388 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)CC2)c([N+](=O)[O-])c1 408574532 RSQNPAKCMNQXOF-UHFFFAOYSA-N 577.446 5.175 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1F 408576982 YGALPUSFHJZGNX-SANMLTNESA-N 615.525 7.182 5 40 KKBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408637613 AUNZCCRFSUZVJM-JPSJYLJCSA-N 700.573 6.324 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408642311 MUPNZKBYKPQVMS-UHFFFAOYSA-N 673.388 5.021 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1)c1ccc([N+](=O)[O-])cc1 408670076 XWHZJVPKYXVDTB-WPSKXCBGSA-N 627.436 5.732 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]23)cc1 408733017 VBLUVMFKZVDQNW-HQVUIPKPSA-N 580.980 5.932 5 40 KKBB COc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C1=O 408758154 WCPWFKIHUGGKHF-UHFFFAOYSA-N 518.323 6.063 5 40 KKBB Cc1ccc(C(=O)O)cc1N1C(=O)c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C1=O 408758166 WIFJQZIGFTXJHR-UHFFFAOYSA-N 546.333 6.061 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccccc1 408841968 HKZCLYQMRYWTSV-WOJGMQOQSA-N 583.803 6.789 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409098999 RDEIYHCIHRLNDM-RGVLZGJSSA-N 579.425 5.323 5 40 KKBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)C1=O 409197028 UHGBOZXAJSITKU-RNDVCUHJSA-N 554.499 5.793 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)c1ccc(Cl)cc1 409254241 HZSUIQGCHKAJEZ-LSHDLFTRSA-N 641.805 7.741 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C(C)C)cc4)C3=O)o2)cc([N+](=O)[O-])c1C 409338214 FVYUYVHZLSBONN-ZMOGYAJESA-N 519.579 6.270 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)o2)c([N+](=O)[O-])c1 409347880 NHAPXFJZSPHUTJ-RGVLZGJSSA-N 589.367 5.443 5 40 KKBB CCOC(=O)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 1838679 HPOLSJRQBNAUEG-SSEXGKCCSA-N 597.635 7.061 5 40 KKBB COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(Cl)cc2)cc1 1849001 GBSUGDHCSMCDMX-GDLZYMKVSA-N 590.043 7.546 5 40 KKBB CCOC(=O)c1oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2c(=O)c1-c1ccc(Br)cc1 1856198 ZVWZNEJLDCUQIA-UHFFFAOYSA-N 538.306 5.527 5 40 KKBB biogenic Cc1cc(Oc2cc(NC(=O)c3nc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc(C(C)C)c1 3139677 XUOQTFQTLCRDKN-UHFFFAOYSA-N 582.564 7.256 5 40 KKBB Cc1c(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)oc2c1ccc1ccccc12 3360944 KBBOHWJLLGPHLO-RUZDIDTESA-N 514.921 6.993 5 40 KKBB CC[C@]1(C)Cc2c(sc3nc(SC)n4c(SCC(=O)c5ccc([N+](=O)[O-])cc5)nnc4c23)CO1 9453257 ROOMVTFEJZPEKB-JOCHJYFZSA-N 515.642 5.186 5 40 KKBB COc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC 9972887 OKEKEYPKIHBUGT-UHFFFAOYSA-N 509.515 5.803 5 40 KKBB CCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 14356895 VBWBDSXXDYNGTK-UHFFFAOYSA-N 502.449 5.315 5 40 KKBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)CC2)cc1 29746973 NWUSRISVGZHNET-UHFFFAOYSA-N 555.679 5.608 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 33358562 MPRBNOGEPWPRBO-RBBKRZOGSA-N 604.010 7.700 5 40 KKBB CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@H]2OCCCN2Cc2ccc(Cl)cc2)C1 59490039 YSNWTCJFVGOANO-KDYSTLNUSA-N 515.054 5.254 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc6n(n5)[C@@H](C(F)(F)F)C[C@@H](c5ccc(Cl)cc5)N6)nc34)c12 97948660 TYEULRFKICCMPX-XJKSGUPXSA-N 590.969 7.310 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1 100260302 UFGNWKOBJNBUGK-UUYOSTAYSA-N 543.370 6.312 5 40 KKBB CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@@H](C(C)(C)C)CC4 100344667 QVUAISKDTLSGOL-HNNXBMFYSA-N 584.724 5.926 5 40 KKBB COc1ccc2cc(-c3c4oc5cc(O)ccc5c4nc4c3c(O)nn4C3CCCCCCC3)c(=O)n(C)c2c1 101409917 DKWURTXDXHMERQ-UHFFFAOYSA-N 538.604 6.555 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 103001568 PQNJRBOZUGZXEQ-GMEAVFFOSA-N 604.463 5.246 5 40 KKBB Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1 104011455 CAKFURDJUKUJJE-UHFFFAOYSA-N 544.995 6.031 5 40 KKBB O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306287 MHRMNNGMMSVHDH-UHFFFAOYSA-N 537.985 5.020 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 106741707 UDLPPUQBCAQLEO-JAIQZWGSSA-N 515.906 5.820 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 150365330 BIIYWHLOULXKJD-MHDNGKQISA-N 662.698 6.801 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1cccc(OC)c1 150395257 OIMGHFVUIQJQLZ-POKSHJSXSA-N 637.670 5.121 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 150396174 SHRCDDZLKPBULG-UHFFFAOYSA-N 671.048 5.234 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(Cl)cc1Cl)[C@]21C(=O)Nc2ccccc21 150422406 QKIIMVJPMJSBIP-YQQRZDPSSA-N 624.480 7.148 5 40 KKBB COC(=O)c1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5ccc([N+](=O)[O-])cc5s4)cc3s2)cc1 163570138 VBMZBCPIZBHHSU-UHFFFAOYSA-N 625.735 6.062 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 224752779 UOYBPFYHNDGFDD-LOYHVIPDSA-N 564.623 7.228 5 40 KKBB Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1Cl 224784469 ZUIXCTFSAJYGLS-IHLOFXLRSA-N 598.153 8.071 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1Br 224938432 JOMZEDIRYWUOBJ-DNQXCXABSA-N 534.439 6.029 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225057982 VGWUZXCJIZTZRO-VWLOTQADSA-N 574.461 5.454 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225510393 QQUSZZJMDOJMIA-PMERELPUSA-N 665.168 5.147 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225621667 PGFUXYWPBYBCFV-FQEVSTJZSA-N 651.569 5.356 5 40 KKBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)cc1 253488119 XIRUWOOZGAGXCD-ZGFYEYRMSA-N 599.599 5.502 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2cc(Br)ccc2O)c(C)c1 408545148 ZDXMMQZJLAHCOZ-UHFFFAOYSA-N 568.453 5.967 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 408565116 BFMNSMKAYZEWOQ-RUZDIDTESA-N 633.952 7.088 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 408567803 HLKAMWSXPAWLTN-SANMLTNESA-N 692.430 7.587 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 408577409 ZJFQHTKEBGJOHE-DEOSSOPVSA-N 603.470 6.184 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733181 FRWFYNRCZMJVHZ-UHSYMONFSA-N 665.724 5.863 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)o1 408813701 OSOFHIMYGUOCPM-TUCCYDMFSA-N 502.616 7.217 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408825874 JWNSQLGHYOJGPG-FQKMCRJQSA-N 821.431 5.803 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408838986 LIEJVVCADNCAKH-VCHYOVAHSA-N 628.800 6.697 5 40 KKBB CCN(CC)c1ccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)O)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408995531 AUMNCDLLTUGQJL-UHFFFAOYSA-N 509.518 5.760 5 40 KKBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OCC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O 409010997 FDMHSARUNJFDDO-VPNURPJOSA-N 579.425 5.323 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c2=O)=N1 409045997 QSPWDKXKRUYVBN-FQKMCRJQSA-N 642.517 6.062 5 40 KKBB COc1cc(CNc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409113774 FLHRYUXOWCFIGH-UHFFFAOYSA-N 538.769 6.361 5 40 KKBB CCN1C(=O)/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c2ccccc21 409114491 HRRGGRPGSXWAGU-ODLFYWEKSA-N 652.226 6.290 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1 409173477 IPDKCHJJKSSJBE-LJQANCHMSA-N 537.429 5.186 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 409177048 BSGNTQOQPFQDCF-UHFFFAOYSA-N 539.456 5.453 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409178331 GOYUSXGRLDVRKK-AREMUKBSSA-N 532.892 6.730 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC 409192538 CIIBGRWIFNFXRZ-YVBHXKDBSA-N 750.690 6.264 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409204419 GZESBXPQNOWFHK-BRJLIKDPSA-N 622.568 5.140 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(F)cc1F 409270768 ALPCEFAJXSIDAP-MYKKPKGFSA-N 548.527 5.551 5 40 KKBB O=C1OC(c2ccccc2Br)=N/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 2054726 KICFXQBLWDZOPC-WOJGMQOQSA-N 510.256 5.402 5 40 KKBB CCOC(=O)C1=C(n2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccccc2)S[C@@H]2CCCC[C@@H]12 2310753 WAOKOPMMMKSWFQ-DENIHFKCSA-N 537.645 5.380 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccccc4[N+](=O)[O-])cc3)nc2c1 22828146 VILBMUNABGNUCZ-INIZCTEOSA-N 504.568 5.809 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cccc([N+](=O)[O-])c1 32112069 VQPFHPNSNDUACH-UHFFFAOYSA-N 502.939 6.336 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 100327766 GJOXSPGKYLKNGV-UHFFFAOYSA-N 554.632 6.367 5 40 KKBB O=C(NCCSc1c(-c2ccc(Br)cc2)[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1Cl 101083762 IVFGRRGEKCWAOE-UHFFFAOYSA-N 530.831 6.681 5 40 KKBB C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 102975667 SHVWJUDABUOHMI-LLVKDONJSA-N 607.255 6.193 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc(Cl)cc1Cl 150362847 KHOVAQXZWCCUJG-KLVDZCJFSA-N 684.601 7.511 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 163221173 WXXDXJYGRASIDN-JBDHCHCMSA-N 664.534 5.057 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223319267 INBDFKVJTUMUKQ-QDPGVEIFSA-N 533.694 5.691 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223676063 GVPJBIXSUWGWII-LJAQVGFWSA-N 624.760 5.139 5 40 KKBB CC[N+](CC)(CC)CCCn1c(=O)c2ccc3c4ccc5c(=O)n(CCC[N+](CC)(CC)CC)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 223813617 XFBWJDCUMVEZGG-UHFFFAOYSA-N 674.886 6.496 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224431026 GYKHIJBNAAGUGF-WJOKGBTCSA-N 646.741 5.484 5 40 KKBB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccncc1 224763934 QLOSRGOKXGWNGW-JSOSNVBQSA-N 592.750 7.180 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 226693596 YWWYYPITDJESIH-KXANFNGZSA-N 637.091 7.437 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 408565744 CZVZXIBWFJOKOQ-DEOSSOPVSA-N 512.994 6.366 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccccc54)[C@@H]3[N+](=O)[O-])cc2Cl)cc1 408568401 UHEFEKKQDLUNOE-ONRXEWETSA-N 538.431 5.935 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408568705 IJLHICBSVFOECA-RRHKGSKTSA-N 572.843 5.258 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)O)n[nH]1 408631212 GFRISVJVORGZJM-FSGOGVSDSA-N 650.116 8.384 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408637575 AKUKHMMFKQYJGF-IHMJZKOGSA-N 604.015 5.129 5 40 KKBB CC(C)[C@@H](C(=O)OCc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408656975 MQNSOQLHNQOXHI-CGHKXIPFSA-N 579.436 5.256 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408723241 RWLCQBRKJNTWHX-WXHPKRHJSA-N 701.562 8.099 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4ccc5ccccc5c4C3=C[C@@H](c3ccc4c(c3)OCO4)[C@H]2C1=O 408731120 JBABRQLRHGCBIV-MTBQCCFUSA-N 574.545 5.307 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccs1 408986201 OMWGZQQOWMLTSV-RSCAPRFBSA-N 634.917 5.444 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c2=O)=N1 409035849 KMPBNTUNQHZFLY-UQDCTOEPSA-N 666.550 5.826 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409079602 LDVRIBWRWCJWLZ-ZGOFBEGVSA-N 666.575 5.629 5 40 KKBB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)c2cccnc12 409177384 GEKBALDXCGXYMW-MHZLTWQESA-N 562.376 5.792 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)c1ccccc1 409218868 HXJJLSGCINZUTE-WSDLNYQXSA-N 505.464 5.215 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409268216 ZTVKGTKSHYLDPA-SSDVNMTOSA-N 666.731 7.271 5 40 KKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 409336653 OVBZZMIMUSOJFA-UHFFFAOYSA-N 612.696 6.184 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C 409357110 IXAVNHLVTJLPSK-OAQYLSRUSA-N 565.483 5.679 5 40 KKBB O=C1NN(C(=O)c2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])c2c1c1ccccc1n2C(=O)c1ccccc1 1578423 BBTBXANFHWZLBW-SANMLTNESA-N 516.513 5.128 5 40 KKBB O=c1/c(=C\c2ccccc2OCc2ccccc2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 1884131 XSSWDKWAFVENEA-FATJQOLTSA-N 571.658 5.806 5 40 KKBB CCOc1cccc2c1N(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C1=C2C2(SC(C(=O)OC)=C(C(=O)OC)S2)C(C(=O)OC)=C(C(=O)OC)S1 8386956 GAGLYTWCROVIIM-UHFFFAOYSA-N 742.806 5.224 5 40 KKBB COc1ccc(N2C(=O)c3cc(I)ccc3N[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 8432166 HGYNTTBFWICFSI-DEOSSOPVSA-N 567.339 6.239 5 40 KKBB O=C(COc1ccc(C2CCCCC2)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 8898578 NSGKZXNAHDXONU-UHFFFAOYSA-N 506.647 5.360 5 40 KKBB O=C(NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14274363 RNLCCRADPYHHKA-UHFFFAOYSA-N 511.003 6.158 5 40 KKBB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 33680263 AJESRQFHMUWDBQ-INIZCTEOSA-N 512.031 6.965 5 40 KKBB CCN1CCN([P@](=Nc2ccc([N+](=O)[O-])cc2Br)(c2c(C)cn(-c3ccccc3)c2C)C(C)(C)C)CC1 97984885 LIZAQSLJKDJCSB-DIPNUNPCSA-N 586.515 7.274 5 40 KKBB CC(C)[C@H]1Cc2c(sc3c2c2nnc(SCC(=O)c4ccc(Br)cc4)n2c2nnc(SCC(=O)c4ccc(Br)cc4)n32)CO1 97999684 WDFMMXAPMJHZPK-HSZRJFAPSA-N 772.570 7.559 5 40 KKBB CCc1ccc(C(=O)N2c3c(C)cccc3[C@H](N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3C)C[C@@H]2C)cc1 100159664 RDGAWNMUPQWZPI-CQWZJQSXSA-N 573.693 8.001 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 102975583 WYJOTHUUDYILGG-ZDUSSCGKSA-N 601.943 5.260 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 103891679 HLFPIQHAQDYKLB-UDHMSBBDSA-N 619.674 5.954 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n31)c1ccccc1CC2 104655227 ZBTFBCUDFJWSTQ-WXKAHTKJSA-N 601.684 5.815 5 40 KKBB CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccc(F)cc2)c(C(=O)OCC)c1C 150391438 NLRDDJUPBFFTMO-KRWDZBQOSA-N 684.728 5.087 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(Br)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 169617596 NEGYDRVBLVYRCR-NQCYILGJSA-N 741.594 7.563 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224328709 SHJVNVGCNAYZDK-WJOKGBTCSA-N 663.196 5.998 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 408577803 ZYSFHTLANSFOGH-AREMUKBSSA-N 571.074 7.073 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C/c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C(=O)O)n[nH]2)c1 408631917 HEFNNRKYSJCXCM-LPYMAVHISA-N 536.591 5.766 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 408647729 VLNLJBTUQSPEPV-NOZRDPDXSA-N 636.444 5.702 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408732924 BBYWPRLOACTPKF-IZBTWGKQSA-N 584.437 5.273 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C(=O)O)cc3s2)cc1 408749200 FMNBXAJNFAADHV-UHFFFAOYSA-N 522.564 5.194 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408774355 CEVYUENQNAXYDX-ORVZPOCUSA-N 759.498 6.532 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)cc(Br)c5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)c1 408844352 NODGAUBDXGDKAW-XDYZZPCYSA-N 759.476 7.340 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCCC3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409090583 RJNHAMBCKFCRRZ-RBRLEXCSSA-N 608.164 5.046 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409145259 NMEFJWKVEYECKO-QYIOYSLNSA-N 758.676 6.173 5 40 KKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409159604 RIOJIEJQGCAAQJ-QFEZKATASA-N 526.574 5.581 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 409184341 XOSZMXOJAMXEAT-SANMLTNESA-N 540.915 5.830 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc2c(c1)OCCO2 409197684 MCYJYTZNQOEVLI-FOKLQQMPSA-N 601.515 5.852 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Br)cc(-c2nc3ccccc3s2)cc1Br 409253046 VRRLUBNGVXFGQF-UHFFFAOYSA-N 574.172 8.208 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409355237 JSNBENVQZVOVNL-IPAKXIGBSA-N 771.484 6.518 5 40 KKBB O=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 19938754 OKEHREAZWHPMIS-UHFFFAOYSA-N 512.009 6.391 5 40 KKBB Cc1nn(-c2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=N2)C(O)=Nc2ccccc21 96022083 BRAWBYXCSATLIO-HKBQPEDESA-N 667.147 7.940 5 40 KKBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102766786 VOSIDTGGCYSXFF-NJDAHSKKSA-N 518.740 5.606 5 40 KKBB CCCCCOc1ccc(N2C(=O)CS[C@@]23C(=O)N(CN2CCN(c4ccc([N+](=O)[O-])cc4)CC2)c2ccccc23)cc1 104164452 VEYLUNCXYALWFP-YTTGMZPUSA-N 601.729 5.223 5 40 KKBB Cc1cc(C)c2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3C)nc2c1 105305840 KQJOGQIJQHASMB-UHFFFAOYSA-N 543.649 6.445 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 106740735 SYSHRAJZBLHWPL-CFRMEGHHSA-N 559.427 7.116 5 40 KKBB O=c1/c(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 150431122 PMXUFLSGIZBVNE-KEPJHFNWSA-N 735.479 7.392 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 150468881 BFZTXDJAJQVJKX-BKUYFWCQSA-N 652.444 5.212 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 205661089 CFYFEVFFHJFNEX-FOKLQQMPSA-N 573.942 6.723 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224586170 XBBXAJSHMIOZRX-MUUNZHRXSA-N 687.215 5.635 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)o1 224687662 BUVCVSMGJBHIIP-FIRIVFDPSA-N 578.650 7.536 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl 225139416 DDEDKYPKLBWCQD-IZZNHLLZSA-N 561.067 6.206 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 247343844 TWEYRJRCWKGVMN-HPNWTYDNSA-N 585.572 5.180 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261061436 NUELHNIUVSEGSR-SFRLIIPVSA-N 707.249 6.315 5 40 KKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408544972 WMALRIMVDWFYGE-ALCCZGGFSA-N 528.186 7.109 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccccc54)[C@@H]3[N+](=O)[O-])cc2Cl)cc1 408568404 UHEFEKKQDLUNOE-PAXQOXJBSA-N 538.431 5.935 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Cl)cc1 408676596 AXRDEDGQWTUYDS-RAWLKHAVSA-N 592.007 5.381 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 408728162 IIOWTQLSFZRMEL-CSKPTYFESA-N 588.639 5.658 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 408728676 REDVZBFTXOSVCM-AGYDLCDTSA-N 584.220 5.013 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408758623 NYFJJNDAMQEJQL-OTHIGLTOSA-N 677.735 5.440 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)c1 408770474 XYVUFPRMPFHIJL-ISZRBDKASA-N 632.698 5.370 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(C(=O)OCC)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 408830167 YFIQVJDBPUBHPR-PKYOQBLNSA-N 720.598 5.533 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408836805 VTXKEWNJUKNZMO-CRCYZHLCSA-N 774.431 5.961 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 408858981 VEHGIOMPFIRZFK-GWRYVSOYSA-N 675.550 6.748 5 40 KKBB Cc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])cc1C 408918957 RDHDGXLRLDNKNY-QFMXGDCESA-N 630.700 7.401 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408933907 BAETYMVWCPDMNF-VPHSIRQSSA-N 710.578 5.974 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408996837 FFLQXJLPIAUYDY-JEBSQDRDSA-N 690.734 6.668 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409106999 OBZIONXBDBRGSZ-DFXMODJXSA-N 636.730 5.742 5 40 KKBB CC1(C)OC(=O)C([C@@H](c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c2c[nH]c3ccccc23)C(=O)O1 409114614 IOLPEOIKADHPOT-QHCPKHFHSA-N 752.299 6.449 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409169392 QCCYIFOCEVCISX-MFKUBSTISA-N 561.616 5.864 5 40 KKBB Cc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1N1C(=O)c2ccccc2C1=O 409179447 NVXHPLIEZWOWOO-UHFFFAOYSA-N 508.486 5.853 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC 409193552 GKPXHOAYDOALOZ-LXYLXTGBSA-N 723.620 5.958 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409225300 OCKZFHRBFDMFAI-RMORIDSASA-N 614.995 5.088 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409269095 FBEPILFYVHNBTI-RGVLZGJSSA-N 502.426 5.793 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1OCc1ccc(Cl)cc1 409270750 ADKREQAAPCDHIJ-YDZHTSKRSA-N 538.965 5.755 5 40 KKBB C1=C[C@@H]2C=Nc3c4cccc5nc6cc7cc8cc9ccc%10ccc%11c%12cccc%13cc%14cc%15cc%16cc1nc2c3c1nc2c(c6c1c54)c7c1c8c3c9c%10c%11n4c(c%13%12)c%14c5c%15c(n%16)c2n1c5c34 2382215881 IYKQEEQIDRXFHL-XMMPIXPASA-N 839.877 15.143 5 40 KKBB COc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc(Br)c1OCc1ccc(C)cc1 2084833 AQQVOZJSCDHCPG-NHDPSOOVSA-N 537.366 5.906 5 40 KKBB O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14278391 ACDGQEDYUBVVJV-UHFFFAOYSA-N 508.332 5.413 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1[N+](=O)[O-] 32114915 RMYBHBCYGWLAOA-UHFFFAOYSA-N 518.551 5.427 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(Br)cc3)N4)cc([N+](=O)[O-])c2)cc1 97949104 PHBMBQWMQCLGQQ-ZCYQVOJMSA-N 646.420 7.657 5 40 KKBB Cc1c(-c2cc(C(F)(F)F)nc3sc4c(ncn5nc([C@@H](C)n6cc(Cl)cn6)nc45)c23)cnn1C 98046234 LBLQFLDIPNDDJG-SNVBAGLBSA-N 517.928 5.074 5 40 KKBB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2cc(O)c3c(=O)c4ccc(Cl)cc4oc3c2)CC1 101369070 IKPQHDMKUYPIRZ-GASCZTMLSA-N 501.963 5.542 5 40 KKBB Cc1ccc(N(CC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 103053692 KWGSPEIZXIERNL-XCJLJZCSSA-N 520.051 5.001 5 40 KKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105307861 OFDPIJYDJGXUNC-UHFFFAOYSA-N 536.013 6.092 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1[N+](=O)[O-] 105318135 CDQWPSOJJIDXOD-UHFFFAOYSA-N 554.072 5.096 5 40 KKBB O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)/C(=C\c2ccc(Cl)cc2)CCC1 105598419 BICZCMDTWUFBLU-FUWOTOHESA-N 574.489 6.698 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1 111465623 JURPVCHJHPIYMB-AYTQJLEDSA-N 577.618 5.104 5 40 KKBB O=S(=O)(O)c1ccc2c(c1)-c1nc-2nc2nc(nc3[nH]c(nc4nc([nH]1)-c1ccccc1-4)c1ccc(S(=O)(=O)O)cc31)-c1ccccc1-2 150657536 ACFVOZPNAKNVLN-UHFFFAOYSA-N 674.680 5.266 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163723527 DOPUYMREEGFWLN-CBYYHRJHSA-N 708.498 6.143 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223262420 WIASPXCCUCCSSL-AMGIVPHBSA-N 519.667 5.383 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)o2)c1 225383995 VYWRMYKBGQWSCY-WUFINQPMSA-N 526.618 6.748 5 40 KKBB COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408557428 NINPTQMHEKUASO-QFIPXVFZSA-N 627.800 6.341 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408566437 NYNLGKOHGTUJJM-PWBHZWRTSA-N 532.811 5.748 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 408567687 QYWCWWJBYZTTOQ-UHFFFAOYSA-N 500.747 5.608 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408640381 AXBRQNYFPTZWNY-OVWYZSLCSA-N 636.444 5.392 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 408931711 PHGNRRCBNXCUPT-MSXFZWOLSA-N 612.458 5.928 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036540 RPLBMIVOVNPTPV-FWWOIACNSA-N 857.676 5.239 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409080456 DKGUSCFXKUKXED-XSTKMXAKSA-N 708.587 5.455 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409084078 WLHLWKLCEKMHRD-IYVASWNSSA-N 701.020 6.282 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1 409098051 JYAQEKALCQCZGN-RISWYLRJSA-N 652.154 5.090 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)ccc1Cl 409168493 MXUXIKJBNOZDLP-JFLMPSFJSA-N 654.097 6.468 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 409181149 XWCIRXIHJNUAGE-MFKUBSTISA-N 547.589 5.420 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409191215 DMOXXFYKNXKPDZ-FCVOFCDTSA-N 830.570 7.501 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1cccc2ccccc12 409271350 BQSYSXUULPRBKR-YDZHTSKRSA-N 533.949 6.336 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNc2c(C)cccc2C)n1-c1ccccc1 869034 WOOQPBOPVGRBJO-UHFFFAOYSA-N 502.600 5.444 5 40 KKBB O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 1422251 ZLJKCQOPBCADFZ-UHFFFAOYSA-N 515.865 5.153 5 40 KKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2ncn1Cc1ccc(Cl)cc1 1877158 GVGIVQIXRNFXPP-UHFFFAOYSA-N 517.332 5.547 5 40 KKBB COc1ccc2c(c1)[C@@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(OC)ccc5CC[N+]4(C)C)ccc3OC)cc1)[N+](C)(C)CC2 5369722 XPTZLWPVLRHFHQ-FZNHDDJXSA-N 608.823 7.337 5 40 KKBB O=[N+]([O-])/C(=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Br)cc1 6088285 BGRMPJYPWAZAGF-RIYZIHGNSA-N 519.217 5.448 5 40 KKBB COc1ccc(OC)c([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(C)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)c1 8437156 LESPFEIPOGGDHQ-DXUGRCAZSA-N 605.672 5.813 5 40 KKBB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c(C)cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 16779781 RWMCIMQXNFLKEK-UHFFFAOYSA-N 523.567 5.142 5 40 KKBB Cc1ccccc1NC(=O)C1(NC(=O)c2cccc(N3C(=O)CS[C@@H]3c3ccc([N+](=O)[O-])cc3)c2)CCCCC1 98044754 YSIGIUVSYVETKJ-MUUNZHRXSA-N 558.660 5.753 5 40 KKBB O=C(c1ccccc1)c1ccc(Sc2nnc(Sc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])s2)c([N+](=O)[O-])c1 100961291 VGEOSKDBNGDIKD-UHFFFAOYSA-N 600.659 7.119 5 40 KKBB Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c1)C2=O 101441618 ZLBZBDLBTANSSJ-SSEXGKCCSA-N 571.545 6.033 5 40 KKBB COc1ccc([C@@H]2CC(c3ccc4c(=O)n5c6ccccc6nc5c5cccc3c45)=NN2c2ccc([N+](=O)[O-])cc2)cc1 103856652 XYYJDGABAQUYHE-HKBQPEDESA-N 565.589 6.864 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4Cl)c(=O)n32)cc1 103865439 IQRRJIDNOLGMSR-CRCYZHLCSA-N 589.073 5.061 5 40 KKBB COc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5cc(OC)c(OC)c(OC)c5)nc4c3)o2)c([N+](=O)[O-])c1 104222874 HWWSQJOFPATGOT-UHFFFAOYSA-N 545.504 5.950 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305871 XHWZVEAASQDERO-UHFFFAOYSA-N 536.013 6.174 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(F)cc1 150394815 KSZQVHUBCANYDV-FQWZWQHVSA-N 630.053 5.896 5 40 KKBB CC[C@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1 215936159 ZREGVEANDOPLBZ-QFIPXVFZSA-N 546.045 5.336 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222689151 GKKWHMCHWDUHQY-UMSFTDKQSA-N 707.249 6.173 5 40 KKBB COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 222984378 KAMIFCBJKADMQP-AREMUKBSSA-N 588.488 5.701 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223292463 QEIZCXCRQSXGDY-FQEVSTJZSA-N 621.543 5.431 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223855754 RHYYLDDNVRUECO-HRFSGMKKSA-N 588.557 6.690 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NC2CCCC2)c1 224029732 KLIJVRHTOMUMDJ-QFIPXVFZSA-N 673.188 5.245 5 40 KKBB O=C(O)c1cc(C(=O)O)cc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 224788138 PWJTUMXQRQUMFK-VMPREFPWSA-N 638.683 6.975 5 40 KKBB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224788283 PHTYVGMLGYKRIX-XZWHSSHBSA-N 599.137 8.540 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225311366 KPIDEDBVASOVPT-HKBQPEDESA-N 666.797 5.372 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccccc1 408564772 ABUOTCNJTFLGAR-QFIPXVFZSA-N 533.412 6.711 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 408565718 CWNLGSAXTOSEPW-DEOSSOPVSA-N 573.444 6.175 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917146 NSSMCGPBZBPZDR-SSDVNMTOSA-N 515.374 6.717 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409003250 YVQDXIXWKFQYOU-KMCFWPMWSA-N 694.747 6.266 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1 409093205 YBEGNIKXLSZXNU-PQRKSKNISA-N 592.633 5.051 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@@H]1c1ccccc1OC 409106823 OQLJHCYYXBMDCP-CVXGXVHTSA-N 614.749 5.172 5 40 KKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Oc3ccc(-c4cc(C(=O)OCc5cccc([N+](=O)[O-])c5)c5ccccc5n4)cc3)cc2)nc2ccccc12 409178677 NSFQSCHBRKBYIE-UHFFFAOYSA-N 782.765 10.440 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 409179796 NRKTUCAHQDVLRO-UHFFFAOYSA-N 555.384 7.722 5 40 KKBB O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccccc1 409242765 YFLLUIBHCFNFSD-CIAFOILYSA-N 542.773 5.683 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1C 409269274 ALUSHGPPUAPTFI-CFRMEGHHSA-N 596.459 6.228 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409273392 QMWDCNNGJPTEGI-IAOUMNOZSA-N 599.738 5.080 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409346241 LNRQZTDKNIMJOW-WLNFRNCRSA-N 808.478 6.904 5 40 KKBB O=[N+]([O-])c1cccc(COc2c(Br)cc(C(=S)N3CCCC3)cc2Br)c1 409373293 TVHPFEAKVGJENU-UHFFFAOYSA-N 500.212 5.470 5 40 KKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCc4c(Cl)cccc4Cl)cc3c3ccnc2c31 8792277 QXRQNWKQFIMVRV-UHFFFAOYSA-N 505.357 6.495 5 40 KKBB biogenic O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12651184 BMXFJPHEXWDPMQ-UHFFFAOYSA-N 513.337 5.799 5 40 KKBB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3)Nc1ccccc1[N+](=O)[O-] 16450344 NDNXTSROCULFFM-UHFFFAOYSA-N 513.000 5.228 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)nc2c1 22833460 KBFLTUNTTHUWBQ-AWEZNQCLSA-N 508.987 6.697 5 40 KKBB Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(-c5ccc(Cl)cc5)c5ccccc5c4=O)c3)CC2)cc1 29492118 ZGHZOWMTZDNPQO-UHFFFAOYSA-N 580.044 5.885 5 40 KKBB O=C(Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1CC(=O)C(=O)Nc1cc(Cl)ccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 82190854 LZHJHVHRKPULIY-UHFFFAOYSA-N 628.208 5.617 5 40 KKBB COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC 96006015 YXSLJKQTIDHPOT-RWICQKHUSA-N 929.161 8.066 5 40 KKBB world O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 100390957 KPTWWPRFVYUFGL-ORSSICPCSA-N 544.947 5.709 5 40 KKBB O=[N+]([O-])c1cccc([C@H]2Oc3c(Br)cc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)c1 100816580 ZWRJAGWJJWZENT-IFMALSPDSA-N 529.188 6.362 5 40 KKBB O=C(NCCc1ccccc1)C1CCC(Cn2c(SCc3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)CC1 101311327 CJMPPPBXGOAEED-UHFFFAOYSA-N 556.688 5.762 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12 102869520 DYEXHBYXRFDPOE-UUQNIDNHSA-N 576.008 6.104 5 40 KKBB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306545 ZINZVFBENJFSRR-UHFFFAOYSA-N 559.648 5.798 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 106730816 QJWCVEDVSSVDFP-FMCGGJTJSA-N 598.431 5.620 5 40 KKBB Cc1ccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)/C(=C/c4ccc([N+](=O)[O-])cc4)NC(=O)c4ccccc4)c3)C2=O)cc1C 113562147 NVGLJBGNXLJKSQ-BLIVLRGHSA-N 620.687 6.045 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)o1 224111070 JFZFDCICLOGRCM-VSGBNLITSA-N 571.659 6.338 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224453071 LPAFEUOXTDWGNS-HSZRJFAPSA-N 538.497 6.001 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225148611 FTYFIMRQJDEXEW-FGZHOGPDSA-N 631.151 5.093 5 40 KKBB Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 253488068 WKTLZZXWTWDBJT-DCMQHHMNSA-N 555.590 5.759 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260996112 DKECHGWHAQCHGM-JKFCTSDTSA-N 690.794 5.801 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408563372 AHHGCINZZXOTEL-OCAOGGMISA-N 578.463 5.400 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl 408565503 CCFNMGSEFJFEMW-DEOSSOPVSA-N 638.371 7.733 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 408566144 NCMLLRQVRSPGEY-LBEGXTCUSA-N 516.356 5.280 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(Cl)c1 408567074 GHQSJTJPDLNNNS-VWLOTQADSA-N 617.953 7.306 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408637574 AKUKHMMFKQYJGF-IAIFEWERSA-N 604.015 5.129 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1 408645656 SPXLRZKFWPIGRF-UHFFFAOYSA-N 532.723 5.091 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2cccs2)cc1 408648367 WGUMOLIOKVWCIX-UHFFFAOYSA-N 624.414 5.719 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408656463 SODDMMARODULDE-DQEYMECFSA-N 561.978 5.456 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 408776058 MVGXMSOBLCFWAL-FUFNRSNVSA-N 680.602 5.770 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408832735 ZYHGZVZRBXDKKY-ZRELAVNMSA-N 638.407 5.816 5 40 KKBB O=C(Oc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1)c1ccc([N+](=O)[O-])cc1 408849190 YZOZNIOTFQKPFI-XNMXCUJWSA-N 641.730 6.661 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1cccc(C(F)(F)F)c1 408870633 WVTCRUXYKACNST-GRSHGNNSSA-N 596.337 6.311 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1cccc2ccccc12 408918878 QBNCJYIYHXKTSH-YSMPRRRNSA-N 605.466 7.335 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408937514 JOOLDGNYMRDPLV-SAGCDJCOSA-N 657.745 5.471 5 40 KKBB O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1 408985275 ANHSGNBBIQZICG-UHFFFAOYSA-N 511.603 7.363 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409034053 NARVICCOZXDKIG-PGUFECHJSA-N 892.519 5.603 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2=O)=N1 409045404 IPWGGMRXNDGCSE-FQKMCRJQSA-N 642.517 6.062 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409172851 MAFLTCOKKYOUIP-YDZHTSKRSA-N 691.354 6.773 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c(C)c1 409180337 WLJNGCAMYUUAAP-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB O=C(O[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409180924 ZEIZKQPUHFXOFF-SANMLTNESA-N 535.961 5.862 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 33358594 AOULBZNGHCVXIG-JTHBVZDNSA-N 671.257 8.566 5 40 KKBB COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCCCCOc2cc(-c3ccccc3)[nH]n2)[C@@H]1c1cccc([N+](=O)[O-])c1 72283938 OOKHXFXYNBTHHR-GDLZYMKVSA-N 574.634 5.575 5 40 KKBB Cc1c(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cccc1[N+](=O)[O-] 100309275 FSNWLVILPLUPIP-UHFFFAOYSA-N 527.356 5.306 5 40 KKBB Cc1ccc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c2cccc(C(F)(F)F)c2)c1 102927619 MTODYQQVMYSOAW-UHFFFAOYSA-N 575.487 6.083 5 40 KKBB O=C(OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 103111129 UWSPTYVBRIHUMX-RUZDIDTESA-N 592.391 6.260 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103522540 BTNNBBAJKPBJBU-PBNWVGGGSA-N 541.563 5.577 5 40 KKBB C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H]3C 150359173 ZQGOYEJYAYJFTL-XPUOQYADSA-N 885.203 13.143 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1Cl 205685621 WVDLVEBLCZJTKA-ZVBGSRNCSA-N 529.889 6.324 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223640146 FYRYTMKEONUIBL-VWLOTQADSA-N 560.503 5.911 5 40 KKBB CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224768959 SPLJXYOTBKJVDT-IZZNHLLZSA-N 529.691 6.875 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 229616995 CZIWASWPOFICDG-GYPIRZFJSA-N 576.008 6.230 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260989198 PNGVEBRWWDMGCX-YADHBBJMSA-N 631.151 5.093 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261072976 QAHDVQYMKKMWHI-QNLPTKCRSA-N 697.641 6.652 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408564835 FYKRIOHMDMBBFZ-UVLNWTNPSA-N 513.594 5.027 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(F)cc1 408565021 AZGGPTPIENEYMM-JOCHJYFZSA-N 567.857 7.364 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(F)cc1 408571081 NIDFDAFYXDPKGE-RUZDIDTESA-N 508.575 5.803 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc2ccccc2c1 408573608 TYEAXLLLTJBWAR-SSEXGKCCSA-N 554.672 7.125 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cc([N+](=O)[O-])ccc1Cl 408574035 HOHTZBOWHIXWKD-UHFFFAOYSA-N 534.299 5.974 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408755327 KCHYZACWNDQUAI-VCLSCOGJSA-N 756.631 6.203 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408827710 GFVLNSSYEYLRBU-QCHPHUCNSA-N 617.989 5.471 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1ccccc1F 408917359 RVIAJXMTJFIBBO-WYMPLXKRSA-N 587.423 6.711 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409056058 DRFLVIARFUEFBG-XKZIYDEJSA-N 572.426 5.628 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409084080 WLHLWKLCEKMHRD-ORVZPOCUSA-N 701.020 6.282 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409142364 CLRFNXZNKIJUPO-PIXWUVMMSA-N 648.535 5.356 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409143051 MRENUQWQSXIBMS-IPAKXIGBSA-N 784.585 5.505 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409152875 LMJMYVUASDAEPK-MFKUBSTISA-N 563.588 5.256 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)ccc1Cl 409164781 NUJGUVLKMSUCFQ-WSDLNYQXSA-N 585.978 5.369 5 40 KKBB Cc1ccccc1OCC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 409175917 DTCJMPHRUFDNAX-GDLZYMKVSA-N 524.529 5.702 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409272848 HPRNTQLZZBATFQ-CVKSISIWSA-N 561.616 5.864 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409330400 LZEDJIZNFPDCBK-FMCGGJTJSA-N 662.496 5.117 5 40 KKBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 2754469 UMPNFBZWOZDYBD-UHFFFAOYSA-N 526.505 5.658 5 40 KKBB COCCOc1cc(NC(=O)c2sccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)cc1Cl 12951295 CILLOKPSJDIZAC-UHFFFAOYSA-N 551.326 7.052 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 13302046 WTCSQFIIUQPWLP-UQBOJQRSSA-N 507.924 6.963 5 40 KKBB COc1ccc(-c2nn3c(SCC(=O)Nc4ccccc4C(F)(F)F)nc4ccccc4c3nc2=O)cc1 98082118 BYYXROXNKZOHIL-UHFFFAOYSA-N 537.523 5.063 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1c(F)cccc1Cl 100341231 YFXKAAVRDQGJFM-UFFVCSGVSA-N 529.889 6.324 5 40 KKBB CCOc1ccc(N2C(=O)[C@@H]3[C@@H]4c5cc(C(C)(C)C)ccc5[C@H](c5cc(C(C)(C)C)ccc54)[C@H]3C2=O)c([N+](=O)[O-])c1 103116305 CQGAMSNGONRHRZ-GOGZTAQTSA-N 552.671 6.985 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 111469685 SRYZQXWUNABTLQ-LLXISZFLSA-N 619.699 6.227 5 40 KKBB COc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc2ccccc2c1Br 112231545 FNINZLUWRFQLEC-UHFFFAOYSA-N 538.320 5.500 5 40 KKBB Cc1cccc(C)c1N1C(=O)C[C@@H](Sc2cccc(NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)NC(=O)c3ccccc3)c2)C1=O 113561532 YMVNHZVQJTUBRA-NUYBPMMJSA-N 620.687 6.045 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2-c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 150431406 HFMRMVWEOIGTSV-GOSISDBHSA-N 694.792 5.359 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)cc(Br)c5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1OC 163288841 ASYOFJKANWJPQA-YPCWPJDZSA-N 789.502 7.348 5 40 KKBB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)nc1 224764335 VXFCENXBXMFEDA-WDYNHAJCSA-N 564.696 6.812 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225624979 VNCQSBLVILAXAR-HHHXNRCGSA-N 665.596 5.233 5 40 KKBB O=C(c1ccccc1Cl)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247302670 FKWLUXZNSYSCKD-UPOHCCNUSA-N 576.008 6.230 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(F)cc1 408559224 YHRNXDSOWSWEMS-UHFFFAOYSA-N 508.287 5.538 5 40 KKBB CCOc1cc(CNc2ccc(Br)c(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408559554 VZAUSDDWPRDVSL-UHFFFAOYSA-N 545.739 7.833 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408565477 KZDXQLBCJWKYMY-GJECAEJISA-N 528.392 5.103 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 408567608 GYOLOGHDVTZERT-DEOSSOPVSA-N 624.344 7.343 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408571131 NSIMIXMMMRDAAE-XMMPIXPASA-N 656.361 7.872 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 408573076 SKIQGGDNTZGAFE-VIQOPKQKSA-N 542.817 5.250 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Br)cc1 408604039 CXEYLDQXZRUOLR-UHFFFAOYSA-N 522.193 6.320 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]32)cc1 408731349 JYKCRWPKMWXGRK-UBLBMGLWSA-N 544.947 5.087 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1 408827204 GHNUKAWUNYKPFS-HVDVVURSSA-N 620.687 5.749 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 408845576 YEVOUIXZDSPLJY-LRUGRNCASA-N 613.598 5.382 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1C 408928941 MCKWVWOGAXMRMC-ZVHZXABRSA-N 517.563 5.466 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 408988459 QXRKSJMBUVTNBK-OINPTKSXSA-N 642.089 5.766 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409105725 LSMZBHGGMXAWKT-SRZZPIQSSA-N 603.344 5.019 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409140006 HGUWJBDKLOVBQF-AQIZGWBQSA-N 597.571 5.294 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409166681 FFPAWNJLOWZBHP-YDZHTSKRSA-N 695.329 7.176 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409174335 SGZFBWBDPLIFEZ-UHFFFAOYSA-N 531.433 6.353 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc12 409275528 VLFPLMGJTZSXED-AFUMVMLFSA-N 593.539 7.234 5 40 KKBB CCOc1c(/C=C/c2cc(/C=C/c3cccc(OC)c3OCC)c([N+](=O)[O-])cc2[N+](=O)[O-])cccc1OC 1714455 DPZMSMVRPKNORN-WXUKJITCSA-N 520.538 6.658 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 9334427 VPLAHASCFMTGNF-MDWZMJQESA-N 509.303 5.128 5 40 KKBB c1ccc([C@@H](c2cccc3c2ccc2ccccc23)[C@H](c2ccccc2)c2cccc3c2ccc2ccccc23)cc1 38147440 RFUAXVYDNSFUAI-ZRKBJOGQSA-N 534.702 11.263 5 40 KKBB in-vitro O=C(c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(Cl)cc4)c4ccccc4c3=O)c2)CC1 100375695 XLYXHBKZPSEJEY-UHFFFAOYSA-N 584.007 5.716 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)SC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccccc12 100942671 HDGJWNGDLIIEEY-GDLZYMKVSA-N 592.529 8.207 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(C)C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 101073095 WVKHRYWXZMXQCI-VXLYETTFSA-N 568.389 5.479 5 40 KKBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C3c4ccccc4Oc4ccccc43)cc2)c1 102413323 WIWCAZWNXYJLBI-UHFFFAOYSA-N 601.644 7.368 5 40 KKBB Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1C 102437450 RAMNENWDRCLFMB-PMERELPUSA-N 553.626 7.501 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccccc1 103073489 XQOFOUFLIAABOB-QHCPKHFHSA-N 541.373 6.231 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@H](OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)sc2c1CC[C@@H](C)C2 103100774 YKOQWNOSOANRTO-VOIUYBSRSA-N 552.605 5.503 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 163226201 XMGRPQHJSHHQCW-JAYSWQADSA-N 638.496 5.046 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC 163280776 ICPFDOCBCXAIGP-BDKVUHKSSA-N 692.706 5.953 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 163647758 ILBWNNYICMUPPC-ALUWMOPFSA-N 755.556 5.195 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 214791986 OJHKRWGBXKUZKZ-AUEPDCJTSA-N 624.296 7.488 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223295625 UMTRDJYSFDCLQH-WJOKGBTCSA-N 713.640 6.190 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224540689 GYTIFPQHVWVWPM-MHZLTWQESA-N 649.597 5.531 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1Br 224938397 JOMZEDIRYWUOBJ-BJKOFHAPSA-N 534.439 6.029 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 224969882 UELUOHAOCFMGFM-ZEQRLZLVSA-N 506.971 6.089 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225088142 RWUMLRQJFVFAOY-RUZDIDTESA-N 631.151 5.094 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225161347 VZEGITIOURZSEE-QHCPKHFHSA-N 640.734 5.112 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225330268 BLXVGNQKNBQQBP-PMERELPUSA-N 622.744 5.055 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225339258 DZUOUIBXYUNVEC-SANMLTNESA-N 621.543 5.431 5 40 KKBB O=C(c1ccccc1)[C@H]1[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 247326085 NMHDINZUWSXCHF-GCXHJFECSA-N 500.554 6.345 5 40 KKBB CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408557898 PIEKPSNFDRBZTC-HSZRJFAPSA-N 573.376 7.890 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)cc1 408571365 ONAWAVRFYWYRLD-XMMPIXPASA-N 511.003 5.927 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 408613589 YMOBRHMBWDKLNE-UHFFFAOYSA-N 559.187 6.706 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408639976 GWQXKJYLMLJUPM-UHFFFAOYSA-N 663.382 5.565 5 40 KKBB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC1=O 408652092 OHQUEIBOHBFMQN-QFIPXVFZSA-N 516.550 5.291 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408828482 MLZIEIPPFZYYFH-PBKKUYBVSA-N 642.517 6.061 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n21 409142109 BGCOJSAQUXDITC-QHZSLAKNSA-N 710.632 5.424 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409182452 LCNUQNSBWMTHPJ-KAEGSSFASA-N 648.137 5.646 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1-c1nc(O)c2c3c(sc2n1)CCCC3 409260474 QRTXDAFPJREMON-UHFFFAOYSA-N 566.355 7.425 5 40 KKBB Cc1cccc(Oc2cc(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3cccs3)N4)cc([N+](=O)[O-])c2)c1 1299896 RWGFMHOLNXVREQ-UGKGYDQZSA-N 543.527 6.866 5 40 KKBB Cc1ccc2nc(-c3ccc4c(c3)C(=O)N(c3ccc(Sc5ccc([N+](=O)[O-])cc5)cc3)C4=O)oc(=O)c2c1 3143026 WEISMYQKKAOICY-UHFFFAOYSA-N 535.537 6.023 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1 9345861 NOMWOLSPSJFZEY-SGNDLWITSA-N 507.930 5.088 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1NCc1ccccc1Cl 16493334 FLQKHHUYQJKUBY-UHFFFAOYSA-N 506.031 6.310 5 40 KKBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 21124397 VRUXVGOBZKNAMM-WEVVVXLNSA-N 505.402 5.248 5 40 KKBB Cc1ccc(-c2csc(NC(=O)COC(=O)[C@H](C)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1C 97982324 SOSQVIIUMFHAHF-AWEZNQCLSA-N 522.505 5.336 5 40 KKBB CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 100360078 UTCGSUQGECUVAT-MFKUBSTISA-N 531.590 5.972 5 40 KKBB COC(=O)c1c(C)oc2ccc(N(C(=O)/C=C/c3ccccc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 102628770 GNIFJWZSUZLPMR-MDWZMJQESA-N 554.964 5.525 5 40 KKBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 104086939 UNCVBSJBWYUHGD-UHFFFAOYSA-N 560.994 5.732 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1 104656822 ZBECEYCGUBLEKQ-MRWVFDTMSA-N 575.646 5.804 5 40 KKBB COc1ccc(Cl)cc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 104708797 WHHSXVSGMKVBBZ-UHFFFAOYSA-N 554.408 5.061 5 40 KKBB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 105303710 WCMFOQWLVRQLIR-WEVVVXLNSA-N 548.496 5.128 5 40 KKBB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 109181441 OHKQATDHDHBAKG-RMKNXTFCSA-N 565.866 6.052 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1c1ccc(Cl)cc1 150385005 LGBXMXIWGPCAJA-DJKKODMXSA-N 678.664 8.825 5 40 KKBB COc1ccccc1-n1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(C)cc1 150408871 SGQJWFDLRBJSKF-MHZLTWQESA-N 667.773 5.954 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 163710729 ISPWLPSZPFZFIH-UNDLXJOSSA-N 645.759 5.406 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C 197884137 AVCWZQXVWUPYMQ-XMMPIXPASA-N 593.735 5.804 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214583317 FLQIVQRUBOSMNZ-WSDLNYQXSA-N 521.507 5.849 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223169557 KWKLFUVRTZYUAV-OAQYLSRUSA-N 665.596 5.748 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223199396 CSPAGEWQDOXQGK-MUUNZHRXSA-N 624.760 5.138 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223269318 KMWWUWWBCLASPR-XYFQYJLHSA-N 628.751 5.345 5 40 KKBB Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1Cl 224789559 CCNKZDHHJSLUQV-LOYHVIPDSA-N 599.137 8.540 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 225090658 FUEDLWIJFYQTKM-NDEPHWFRSA-N 647.581 5.367 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 225284918 ZDSAWDMLKCSTRY-SVBPBHIXSA-N 543.605 5.320 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225310848 OZIWBUYOONZAMT-NDEPHWFRSA-N 534.056 5.880 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 260950445 VIYNPIRUQZETLJ-GDLZYMKVSA-N 627.163 5.103 5 40 KKBB COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408554844 DNWJRKPOEDBYHZ-JOCHJYFZSA-N 501.904 5.736 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 408565950 MFXHSAQDBFLVRR-BQGAEBSMSA-N 537.975 5.121 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12 408569425 WSKZHHJKSHZXPQ-XFHDSQNASA-N 588.458 5.712 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1ccc(F)cc1 408571881 PTMAUCGAZPBJSG-QHCPKHFHSA-N 543.418 6.166 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)O)o1 408634306 UCRPGNLDFHSOBT-JAIQZWGSSA-N 513.915 6.093 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2C(=O)c2ccccc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408647033 JEULBDNTCHNRET-QFIPXVFZSA-N 598.995 6.051 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408658028 UPIYXLXELSIWGJ-DHIUTWEWSA-N 622.417 5.312 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733764 QBRHWVXPPSZOEQ-UPWSPCOFSA-N 694.947 6.642 5 40 KKBB Cc1cc(I)cc(C)c1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408738177 QFHZMJZVAVTCOZ-MHZLTWQESA-N 633.486 6.314 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408769489 MXNJHHGCTFOZCS-PNQAETMRSA-N 758.603 5.859 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)S2)cc1 408771350 FVHWMZNLTWMCCH-AOLPSBPOSA-N 666.335 6.703 5 40 KKBB O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408839438 SFQCUEDYMJUMPR-VCHYOVAHSA-N 662.699 7.552 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408947636 OBLUVTOQWDMBCN-KFOJKGMOSA-N 851.517 7.127 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCO2 409154206 NZUKPMJPVYAAPE-YVNNLAQVSA-N 570.004 5.803 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1cccc2ccccc12 409162329 UFPIPAIRTWTSTP-ASUJOLEISA-N 605.672 5.439 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc(Cl)cc1 409166842 GURLUQRAOCSAKB-SRZZPIQSSA-N 554.924 5.624 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc45)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409176752 WQHJEGTYLSTEHW-DXUGRCAZSA-N 619.699 5.747 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409197009 ZQXROECSWXQJDV-XDHOZWIPSA-N 527.455 5.898 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3Br)C2=O)o1 409401324 SLQNKHNIWMSFCU-MFOYZWKCSA-N 620.796 5.071 5 40 KKBB O=C(Oc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1)c1cc([N+](=O)[O-])ccc1Cl 1807403 FRFHDLWHNBJFLB-UHFFFAOYSA-N 516.687 6.129 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 20608683 RXAAOLLUNSVZEK-UHFFFAOYSA-N 527.629 5.726 5 40 KKBB C[C@@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 102430003 TUMBISDAFHBJMV-CQSZACIVSA-N 522.949 6.538 5 40 KKBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1)N1c2ccccc2CCc2ccccc21 102450113 XIILLGROTHRRRV-UHFFFAOYSA-N 547.640 6.457 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 103537485 OSHSCLJTDFLDGI-YUUTYDCPSA-N 547.592 5.638 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 105980988 DWTKXXFJNUWQQQ-IWIPYMOSSA-N 556.556 5.619 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cccc(OC)c1 150395392 WDAVDZSCFUPELN-QAYABBAVSA-N 676.534 6.419 5 40 KKBB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 150436889 AZARJFNQYOMLRF-KCHLEUMXSA-N 644.434 5.636 5 40 KKBB CCOC(=O)c1sc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@H]3C2=O)c(C(=O)OC)c1C 150441529 FXZOKGRNFKHJRE-PKTNWEFCSA-N 715.693 5.207 5 40 KKBB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223351702 GGMLBHZTICXWQP-QHCPKHFHSA-N 671.987 5.621 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225362194 BFMBDIWGXZJHJP-PMERELPUSA-N 641.190 5.412 5 40 KKBB CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408556929 KYOFKBPPKURPLU-HSZRJFAPSA-N 538.931 7.237 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408564755 FTOJUAKUKNNPND-XABOBXATSA-N 598.881 5.745 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 408565254 BLLKJQCXKDQEJA-QHCPKHFHSA-N 533.412 6.711 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1F 408576740 YGALPUSFHJZGNX-AREMUKBSSA-N 615.525 7.182 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)CC3=O)cc2)c1 408653747 FPYQDKIQVOKVCY-OAQYLSRUSA-N 545.592 5.662 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408685125 OTLJOHPJFRVFHR-FZDFQQAASA-N 563.997 5.698 5 40 KKBB Cc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1C 408736736 GPNSKACXRSUXLF-NDEPHWFRSA-N 507.590 5.710 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 408755360 KTPUGDPLDNTUQF-VSQRRKBNSA-N 601.684 5.815 5 40 KKBB O=c1/c(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408767538 MGLUNXWNJLZLMO-FQWZWQHVSA-N 603.685 5.847 5 40 KKBB COc1ccc(-c2sc(NC(=O)c3ccc(-c4ccccc4)cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408833737 UTOCOQBXSDXBGO-UHFFFAOYSA-N 507.571 7.313 5 40 KKBB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 408920525 JRGXTQOGUHTCNC-DDIUQFJASA-N 659.786 5.795 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(Cl)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408938155 HGAOSYDDINILEU-UONGPDOGSA-N 729.005 5.719 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408943368 SGARJMOWKVHXSL-IKHSWBDUSA-N 663.752 6.226 5 40 KKBB COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(c4ccc([N+](=O)[O-])cc4)N32)cc(OC)c1OC 408993935 XPAFCLZSHFBKLC-AREMUKBSSA-N 558.616 5.991 5 40 KKBB O=C(CSc1ccc(-c2nc(O)c3c4c(sc3n2)CCCC4)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 408994226 YFZZOJSMSQXTTP-UHFFFAOYSA-N 542.642 6.735 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)o3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 409086129 YPKVJXSICIXYPH-JRXNCPAPSA-N 582.059 5.104 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409101516 XXUUQVNCURLGLD-YUEMOGKHSA-N 611.767 6.572 5 40 KKBB CCc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)cc1 409182271 JOKOBQGTTBWAMI-UHFFFAOYSA-N 522.513 6.107 5 40 KKBB Cc1c(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 409309497 IFMSGZDOORCCOI-UHFFFAOYSA-N 527.908 5.409 5 40 KKBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1 409391023 XLAUKHPHCDYTFD-CMDGGOBGSA-N 573.197 6.224 5 40 KKBB C=C/C=C(\C=C)[C@@H](CCN(C)CC(C)(C)OC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 936069037 YKEREWIYGUSPGG-HFQFOKHGSA-N 613.755 6.729 5 40 KKBB C[C@H]1CCCCN1CCCNc1cc2oc3cc(C(C)(C)C)ccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12 8738085 LOBLGSUWEVUGPY-FQEVSTJZSA-N 523.677 6.915 5 40 KKBB O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14275304 BRLLWWGUVHDVJS-UHFFFAOYSA-N 500.561 6.258 5 40 KKBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 18045209 XROAXZMEDVJKCF-QHAWAJNXSA-N 502.285 5.092 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 21123824 BAYYHXFXUBRRSD-CXUHLZMHSA-N 522.561 5.469 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1cc(Cl)ccc1Cl 103628887 KULWASTULLAQTJ-QLTSDVKISA-N 539.419 5.379 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)o1 103781174 RFPFKJNGXXHQNO-UQDCTOEPSA-N 567.648 5.557 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306671 FLIAIFBVEWTIKR-UHFFFAOYSA-N 572.430 5.673 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106739419 FWXDFLXMPMANSM-MTJSOVHGSA-N 604.276 6.935 5 40 KKBB C[C@H](CCC(=O)NCCC[N+](C)(C)C[C@H](O)CS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118912956 HWYJEBSPZZWBMD-ZVZGDOHKSA-O 583.900 5.283 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c2=O)=N1 163450998 SGWHZYSTXNHTGI-HZHHUVPKSA-N 704.643 6.952 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 198311314 GLLBBBQZDWFFGE-UHFFFAOYSA-N 638.724 5.163 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1Cl 205701811 DUXGDRMYCHYGCD-ZVBGSRNCSA-N 529.889 6.324 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(I)cc4)C3=O)o2)c([N+](=O)[O-])c1 205750712 QBKMGWWEDBKJPH-RGVLZGJSSA-N 546.342 6.004 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222878491 RNFULGBJBBJQPT-JGCGQSQUSA-N 697.641 6.509 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(Sc4ccc(Cl)cc4)o3)cc2)cc1 224785443 GCIRQFLLMPGTHW-VMPREFPWSA-N 617.177 8.716 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224816584 BEADVEIXBBCAHZ-MHZLTWQESA-N 635.570 5.677 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224871034 SFZODDWFSWPBNH-HHHXNRCGSA-N 520.029 5.490 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224935725 XQOUZHWSNVZBEU-WJOKGBTCSA-N 632.714 5.094 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C/c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)C(=O)O)o2)c1 408634908 XWSINXSVIWGDDZ-WSDLNYQXSA-N 572.020 6.684 5 40 KKBB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1cccc([N+](=O)[O-])c1 408657548 NATGIUARENMPEW-ULPMMAEXSA-N 655.490 5.525 5 40 KKBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408673684 XNDASLXLAIHGSI-FSGKEUEHSA-N 613.626 5.258 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1Cl 408689019 XOXVBPPZYBKWBO-ZBWOKKAISA-N 720.991 6.588 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408736055 CHWIRIWHFCHBNO-JLKMOJGBSA-N 597.693 5.409 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(OC)c(OCc6ccccc6)cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)c1 408840526 CFEBXFZVSFGIDY-HWANIQDNSA-N 631.710 5.823 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408842599 OVCMGXOUJFEDCS-RISWYLRJSA-N 586.626 5.243 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 408921348 MZDDSXVBPXFUHD-FJNIOPPGSA-N 627.122 5.751 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n21 408937541 GUBNGDBMIUXBTM-IYVASWNSSA-N 652.523 5.435 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408947499 NSVKSNSHVJRCPW-WXKAHTKJSA-N 681.170 6.413 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c2=O)=N1 409036630 LZCQJGWWIDQZFE-ZGOFBEGVSA-N 634.508 5.048 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409098557 QOYCMQZPLUUTOK-RISWYLRJSA-N 696.605 5.199 5 40 KKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1cccc(Br)c1 409159693 RVVDMNYTYCJGDU-VXLYETTFSA-N 519.760 6.507 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)c1ccc(Cl)cc1 409269162 GHBOYIYLBLKGJC-SSDVNMTOSA-N 562.909 6.979 5 40 KKBB O=C(COC(=O)c1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 9499865 WVTAAVCBBYIHPV-UHFFFAOYSA-N 508.530 5.477 5 40 KKBB Cc1cc(C)cc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2)c1 9933784 OYBGTKAQMPYIDV-FQEVSTJZSA-N 526.601 5.940 5 40 KKBB O=C(CSC(=S)N1CCCC1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 59364922 MLJRYUZBLDVQQU-UHFFFAOYSA-N 504.684 5.549 5 40 KKBB CCn1c2ccccc2c2cc([P@](=Nc3cc([N+](=O)[O-])ccc3C)(Oc3ccc(Br)cc3Br)C(C)(C)C)ccc21 96022703 RCRBTMHLSWBFPX-FAIXQHPJSA-N 683.381 10.507 5 40 KKBB CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCn2nc(C)c([N+](=O)[O-])c2C)cc1 97948723 ORDYVULANLLFIU-DEOSSOPVSA-N 599.113 5.272 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 97971273 JJSRVEBOAMBHPD-PFRNSLRDSA-N 603.550 8.575 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-n1c(/C=C/c2ccc(Br)cc2)nc2ccc(I)cc2c1=O 100026509 NSGQXVOAYSAUBO-VZUCSPMQSA-N 588.199 6.140 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 100419049 PLDRPSYHOBIGGF-GIJQJNRQSA-N 526.445 5.014 5 40 KKBB CC(C)[C@H]1Cc2c(sc3c2c2nnc(SCC(=O)c4ccccc4)n2c2nnc(SCC(=O)c4ccccc4)n32)CO1 101995216 ZEUAIKHXLCRAIF-HSZRJFAPSA-N 614.778 6.034 5 40 KKBB C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 102411902 OQJGHNUSNZDRRC-OAHLLOKOSA-N 525.512 6.252 5 40 KKBB COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br 102555939 SOBMLYLWTNXPKK-CYXNTTPDSA-N 574.387 5.570 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 103529144 HJDDQLIAYWPZHU-YCHSVXFSSA-N 571.589 5.585 5 40 KKBB Cc1nc(Nc2ccccc2[N+](=O)[O-])sc1C(=O)CC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C 104301534 VOYBMMCJYFNXIS-UHFFFAOYSA-N 508.600 6.131 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCC(C[C@@H]2CCC[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 104479985 QBUVUUDXKYKDED-VOIIDZAXSA-N 538.605 5.954 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6cc([N+](=O)[O-])ccc6OC)o5)c(=O)n42)c2ccccc2CC3)cc1OC 104658030 NNHMTZYLRJBRJC-KOHOJCOXSA-N 621.671 5.513 5 40 KKBB O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306022 ZEZGFPYESKZXPD-UHFFFAOYSA-N 527.990 5.211 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2)cc1 112231883 YTNULIZPSAXHSI-UHFFFAOYSA-N 542.617 6.531 5 40 KKBB COc1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)n2-c2ccc([N+](=O)[O-])cc2)cc1 150427369 WOXRFKZVLSDKHG-HHHXNRCGSA-N 671.736 5.785 5 40 KKBB C[C@@H](c1ccccc1)N([C@@H](C)c1ccccc1)p1oc2ccc3c(c2c2c4c(ccc2o1)CCCC4)CCCC3 203074082 FGFFWGDLHSFEDX-UIOOFZCWSA-N 547.679 10.508 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222725956 BPBZKAGFQKMTRN-MHZLTWQESA-N 665.596 5.746 5 40 KKBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222992544 ICKUCLOMIXDMJV-IBGZPJMESA-N 621.543 5.429 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl 224065858 UNZGAGUMLIMTJJ-IZZNHLLZSA-N 550.040 5.636 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224771889 MLEXGYADPMEIDK-QHCPKHFHSA-N 657.189 5.627 5 40 KKBB O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 247306617 GYBZXUJTJFNGAH-LUIYPFIDSA-N 610.453 6.883 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 260982559 LKPMZKBVHKQULO-MUUNZHRXSA-N 647.581 5.367 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 408565413 BVFHIUDGWRJPKO-XMMPIXPASA-N 603.470 6.184 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Br)cc1 408573546 TUUAWPCRAKRDKK-HSZRJFAPSA-N 652.340 6.938 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C(=O)O)n[nH]2)c1 408634185 RUQCMYBKTYTJQR-FMCGGJTJSA-N 613.446 5.956 5 40 KKBB Cc1c(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408804682 GMXTYUCJWAHBFD-VHPRUIRISA-N 565.719 7.960 5 40 KKBB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408846048 QLHXUXUFRXZFHK-XDHOZWIPSA-N 527.714 5.574 5 40 KKBB CCOc1cc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408848048 WSEWCLAITKUTBP-DJKKODMXSA-N 617.850 7.732 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408944982 WEOBEUUPKORKRE-SZYVSPPHSA-N 727.033 6.489 5 40 KKBB Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc([C@@H]4N[C@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1 408988460 DNHNCGYLNYRKNG-FDDCHVKYSA-N 552.659 5.705 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409030622 GUBZNJHQKDHXOR-OIUASMPBSA-N 643.718 5.081 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(C(=O)OCC)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409031103 GILSZHOUYDDLSS-XDYZZPCYSA-N 794.677 6.021 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2=O)=N1 409034562 HMKPRKIGMUTFDL-QTTRZTASSA-N 608.072 5.409 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409040587 SVZHDVLMTPSBOE-PLMBTIQCSA-N 771.484 6.599 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409081755 KZAMGKQKJVCWNO-MFCBUNOESA-N 701.020 6.282 5 40 KKBB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2[N+](=O)[O-])N(c2ccc(Br)cc2)C3=O)cc1 1404725 VUKVZMMRVWQOFU-XMMPIXPASA-N 519.355 5.896 5 40 KKBB O=C(c1ccccc1Cl)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 1885513 IBCZGCCENCMFBC-UUQNIDNHSA-N 576.008 6.104 5 40 KKBB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C 8900681 NPHLAKJEFFELNX-ONEGZZNKSA-N 504.562 5.742 5 40 KKBB CCn1nc([N+](=O)[O-])c2c(-c3nc4ccccc4n3Cc3ccccc3)c(N)n(C3CCCCC3)c2c1=O 12311417 XYWWXBSPDJEVGI-UHFFFAOYSA-N 511.586 5.279 5 40 KKBB Cc1ccccc1-n1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccc(I)cc2c1=O 13810091 ONSGDVARUFCMQY-MDWZMJQESA-N 509.303 5.377 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 22831180 ZOEKUZZRBJDCBU-UHFFFAOYSA-N 507.344 6.018 5 40 KKBB CC(C)=CCC/C(C)=C/C=C\C(C)=C/C=C\C(C)=C/C=C\C=C(C)\C=C/C=C(C)/C=C\C=C(/C)CCC=C(C)C 32787683 OAIJSZIZWZSQBC-PATIAFDDSA-N 536.888 12.938 5 40 KKBB O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)/C(=C\c2ccc(F)cc2)CCC1 96022363 HIYYGFKEMCPOEG-WOLARSMZSA-N 541.579 5.669 5 40 KKBB Cc1nn(-c2ccccc2)c(OC(=O)COc2ccc(Cl)cc2Cl)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 100824124 NCNCENHNJUPMEK-UHFFFAOYSA-N 562.387 5.213 5 40 KKBB CCOc1cc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc(Br)c1OC(=O)CC 100935882 FZNRYLMPPFQBIR-PXNMLYILSA-N 523.723 5.069 5 40 KKBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 101895226 ZROFMDBZHNTQJE-IXXPZIILSA-N 575.496 7.939 5 40 KKBB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4c5cc(C(C)(C)C)ccc5[C@H](c5cc(C(C)(C)C)ccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1 102387331 CQGAMSNGONRHRZ-XJYHXZFBSA-N 552.671 6.985 5 40 KKBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(C)cc1 103008375 URDJUNGKHNTIKT-UHFFFAOYSA-N 537.638 5.941 5 40 KKBB COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 103527153 AFMJNMFGJOBXNT-NIKYWZLZSA-N 571.589 5.585 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc2ccccc12 106743331 AKFIJKNUSUMVFQ-QRQIAZFYSA-N 540.597 6.962 5 40 KKBB Cc1ccc(-c2csc(-n3nc(-c4ccc([N+](=O)[O-])cc4)c(C(c4cc([N+](=O)[O-])ccc4O)c4c(-c5ccc([N+](=O)[O-])cc5)nn(-c5nc(-c6ccc(C)cc6)cs5)c4O)c3O)n2)cc1 150340732 YEXWVLQOYFAOLV-UHFFFAOYSA-N 905.931 10.277 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)NC[C@@H](C)NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 150496398 NELIAFZQXAJDSF-HSZRJFAPSA-N 867.743 5.156 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 169314045 SSIWVYBQEYMNGF-FGDVEMDPSA-N 692.724 6.810 5 40 KKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccc(Br)cc1 214931260 SJLVNMGHKCJNJZ-LPYMAVHISA-N 525.380 6.173 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223319384 INBDFKVJTUMUKQ-LXFBAYGMSA-N 533.694 5.691 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224568730 UVEZIONLHJIHER-YTTGMZPUSA-N 776.139 7.622 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 224998366 BSCXZPTVTNUSQC-VMPREFPWSA-N 574.106 7.317 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225043216 WJXLGCQDGGPSBW-DHUJRADRSA-N 753.705 7.113 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225685199 WUNZRCUTRPRJNJ-NRFANRHFSA-N 649.141 5.089 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260733766 KUDWTPSBQRLSHU-HXUWFJFHSA-N 651.569 5.356 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408556486 IZBWYKLZRHEJRQ-UHFFFAOYSA-N 580.291 5.819 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 408566257 FEUSFWZZDYLRGV-DEOSSOPVSA-N 589.899 6.689 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)O)n[nH]2)c1 408631357 DLDZUBLBDMWADG-MXAYSNPKSA-N 557.588 5.618 5 40 KKBB Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1C 408637439 KNGYHCQBZAKULY-RUZDIDTESA-N 608.603 6.002 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1 408649395 XZEGVTRXXLMCRM-UHFFFAOYSA-N 758.999 6.490 5 40 KKBB O=C(Nc1ccc2nc(SCc3ccc(Br)cc3)sc2c1)c1cccc([N+](=O)[O-])c1C(=O)O 408751278 YUIBRHVDVGMKMS-UHFFFAOYSA-N 544.408 6.210 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408827315 JDKCHRVDXCSINX-DKOMQPSQSA-N 783.919 6.374 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2c(F)cccc2Cl)N1Cc1ccccc1 409125350 CYMNASSZNVAERW-MHZLTWQESA-N 501.945 6.749 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409194074 NEZKCFCWKBEXAG-IMUCPKNRSA-N 779.728 7.232 5 40 KKBB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409252528 SYAYLQINDHMRIZ-FMCGGJTJSA-N 564.532 5.287 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409342957 HBZQPODSHNZDJO-WQNUKSJVSA-N 760.006 5.861 5 40 KKBB Cc1c(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 14411252 IHWKHDWRWOEGQN-UHFFFAOYSA-N 501.564 5.551 5 40 KKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Br)ccc2OCc2ccc(F)cc2)c(Cl)c1 16401809 AZUFQDQNJYBYJI-UHFFFAOYSA-N 508.775 5.931 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnnn3-c3ccccc3)cc2s1 33353623 HXWXJEZTZKJUCW-UHFFFAOYSA-N 565.662 5.212 5 40 KKBB O=C1/C(=C/c2cccc(Oc3ccccc3)c2)N[C@@H](c2ccccc2)N1c1c(Cl)cc([N+](=O)[O-])cc1Cl 100476586 IZZJOGGSFAXDJS-SUAMDDGLSA-N 532.383 7.370 5 40 KKBB COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCCN(Cc3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)C2c2ccc([N+](=O)[O-])cc2)cc1 150385230 PNZUBWWYLKJOQZ-UHFFFAOYSA-N 731.857 8.724 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OCc1ccccc1F 163771369 ZUCIQLUGMPKICD-DBHVVYFFSA-N 698.570 6.716 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 225006829 GDBTVZJGYMGFKQ-HHHXNRCGSA-N 610.505 5.444 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 225146838 AHLHNNXLERAQLT-UIOOFZCWSA-N 562.051 6.675 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)[C@@H]1CCCN12 408563328 AFLPHRQSCASXGN-FCRYVSRXSA-N 524.404 5.627 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1ccc(F)cc1 408571926 PYRUCCSDSLUHKN-HSZRJFAPSA-N 543.964 5.966 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc2ccccc2c1 408573002 SCSWRVJHXQQHBQ-WJOKGBTCSA-N 568.699 7.434 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 408574491 UYGOWJJWFBUAKV-XMMPIXPASA-N 577.465 7.109 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408651597 NOBYVJJPONSFJQ-RAWLKHAVSA-N 592.007 5.381 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408683872 MJPZUMSPMFALPA-UHFFFAOYSA-N 557.148 6.201 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]23)cc1 408727553 FJTKUDULMQYYSN-VIBBIMNMSA-N 692.724 6.810 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408920271 HYEUAGHVFIYBOH-SUAMDDGLSA-N 589.695 5.385 5 40 KKBB CCCCOc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409140444 FGHNPYCHUNRLTQ-WJOKGBTCSA-N 521.617 7.135 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O 409180633 YHTMETWFMUVKOV-UHFFFAOYSA-N 528.904 6.198 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc(Br)c(Cl)c1 409203742 YZNVGYZWUKUJEU-VXLYETTFSA-N 562.785 5.946 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)c1ccc(Cl)cc1 409267604 OMPGWASZDRJGRF-LSHDLFTRSA-N 641.805 7.741 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409337032 SMJRMKIYFCYCGL-ARLGEPFESA-N 664.743 5.078 5 40 KKBB O=[N+]([O-])c1ccc(CSc2nnc3c4c5c(sc4nc(SCc4ccccc4)n23)CCC5)cc1 1864120 MJNFDQCGENMAHI-UHFFFAOYSA-N 505.650 6.321 5 40 KKBB COc1cc(Cl)c(C)cc1-n1c(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nc2ccccc2c1=O 3330845 SHLYETVIPCFSMO-UHFFFAOYSA-N 521.904 6.434 5 40 KKBB COc1cc(NC(=O)COC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)c(C)cc1[N+](=O)[O-] 12564443 WOFAEBUQYXOZQX-UHFFFAOYSA-N 514.947 5.070 5 40 KKBB Cc1cc(CSc2ccccc2)ccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 59888308 IJDZYITZMNONJS-UHFFFAOYSA-N 547.658 6.030 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@@H]2[C@H]1c1ccc(Br)cc1 96022724 ZOESZJOOIKSZAE-MRAXCHOJSA-N 680.397 7.393 5 40 KKBB O=C(OCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])o1 97979938 LWMNBOFUVOGBED-DGICKGFZSA-N 521.476 5.446 5 40 KKBB O=C(Nc1ccc(Cc2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)cc2)cc1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 97984940 MPDHGHPEZHQJIG-UHFFFAOYSA-N 790.877 5.173 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 100360409 NZDFEXVYKSHRGY-ZMOGYAJESA-N 568.007 5.901 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccc2ccccc2c1 100992189 WLNWHXFMLSXASX-VGOFMYFVSA-N 545.336 6.222 5 40 KKBB O=C(O)[C@H]1[C@]23c4c5cc6cc7cc8c9c%10c%11c%12c(c4c6c%12c79)[C@H]4c6c-%11c7c-%10c(cc9c7c7c(cc(c(c67)[C@]412)C[C@H]3C=5)C9)C8 103556157 ZADJNWVKEGRDBR-ZHXKHKBASA-N 540.577 7.285 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(OC(=O)c6cccc([N+](=O)[O-])c6)cc5)c(=O)n42)c2ccccc2CC3)cc1 104657815 GZESXGKGJKSSMX-GSTVVXAASA-N 615.667 5.455 5 40 KKBB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC12CC3CC(CC(C3)C1)C2 104828984 ZXDBINHVBHOLAG-UHFFFAOYSA-N 582.904 5.291 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 112252321 GNMWADWTGFLROQ-VULFUBBASA-N 557.540 6.694 5 40 KKBB COC(=O)c1c(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@H]3C2=O)sc2c1CC[C@@H](C(C)(C)C)C2 150437016 ZSYZZLHPWWHBHK-XPKQSADCSA-N 739.803 6.873 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2=O)=N1 163453916 RZSZITODUJXZSK-IMUCPKNRSA-N 656.717 6.311 5 40 KKBB O=[N+]([O-])c1ccc(N2N=C(C(F)(F)F)S[C@]23c2ccccc2C(c2cccc4ccccc24)=NN3c2ccccc2)c([N+](=O)[O-])c1 164774014 YPCSXULFMICNDR-YTTGMZPUSA-N 640.603 8.168 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)o2)c([N+](=O)[O-])c1 214807629 AGQMDDLNBVLVJT-KEBDBYFISA-N 505.335 6.407 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214997998 SOJPHOCOAMIGOG-WSDLNYQXSA-N 559.825 6.826 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223705619 VFKCVIJYZMWJML-YTTGMZPUSA-N 713.640 6.190 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223924031 OZFLBBUZFRICBC-AREMUKBSSA-N 714.068 6.791 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225061990 VNYDJJFMCRMFDF-XIFFEERXSA-N 709.652 6.796 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261058244 NHPJVZXDPVIXEG-CMVGPNDKSA-N 642.778 5.653 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261091342 UERJVTQZCKVEHQ-HPMVVLTCSA-N 741.694 6.969 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408570689 LWJNFNDQRQLBEC-RRHKGSKTSA-N 572.843 5.258 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 408638141 BZAPNDQRHVIOQX-LAMXGVLKSA-N 610.450 6.355 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccccc1 408647861 VUGADHSJVXOOFJ-UHFFFAOYSA-N 567.168 5.745 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408735288 PTNIPOBAFANOME-FVUNBJOLSA-N 673.744 5.092 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O 408866683 HWVNLOOTUHYLTA-NHDPSOOVSA-N 561.494 5.866 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(N3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)cc2s1 408989319 TXZOBXNQSBIMBB-UHFFFAOYSA-N 793.107 8.356 5 40 KKBB CCCCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)O2)cc1 409006203 YXBKEXULTAJYMV-HAHDFKILSA-N 516.506 5.346 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409237658 AWHPKHSAXRIAKB-SSDVNMTOSA-N 616.421 5.759 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409275783 WUJRRSJGRPLPBX-SSDVNMTOSA-N 560.993 5.574 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 409336779 VUXQQMKJOVDZFM-ZYDFGXJWSA-N 703.365 5.506 5 40 KKBB CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C 504276154 NZCRJKRKKOLAOJ-WEVYNNRPSA-N 785.891 6.158 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2[N+](=O)[O-])cc1 32125015 XAVUDXAKCSONQH-XKZIYDEJSA-N 507.549 6.199 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4c(F)cccc4Cl)C3=O)cc2[N+](=O)[O-])cc1 32125027 BEAMUNOJDJZPBA-UUYOSTAYSA-N 514.987 7.083 5 40 KKBB CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@@H]3c2ccc(OCC)cc2)cc1 97983834 ZELOBQMLMCXUFI-VYEDMFTGSA-N 610.711 6.666 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C(=O)N1Cc1ccccc1 101118997 HKAFWWXDHNSTMU-ZNZIZOMTSA-N 529.936 5.555 5 40 KKBB CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103332728 RPAXCEFFCPZUKA-GCLYCDDRSA-N 597.671 6.794 5 40 KKBB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 104086047 WAMCXYPRSMMSRN-XYOKQWHBSA-N 575.474 5.373 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 105251056 KBKLZWQTLHBSMT-UHFFFAOYSA-N 524.832 6.734 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)c(Cl)c2)cc1[N+](=O)[O-] 150487679 GJWJDKWRWXZESU-UHFFFAOYSA-N 629.995 5.796 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1OCc1ccc(Cl)cc1 215252519 QMYLLYJIJVKAEA-LPYMAVHISA-N 510.955 6.072 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222834631 VGYZKRWIUHBIPN-SANMLTNESA-N 552.469 5.312 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 223778843 MFIOJUALBKJLBQ-DQEYMECFSA-N 502.552 5.444 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)C(C)C 224104397 NGVIAMATOJAZDS-RRPNLBNLSA-N 540.649 5.861 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225315545 RJUXONZMFDBHSC-NDEPHWFRSA-N 533.694 5.693 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225319349 DSHJTEQJXBZVSR-VQTJNVASSA-N 621.543 5.429 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225358491 FKZUCWRMVSHDPD-BHVANESWSA-N 733.287 6.850 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 408565947 MFXHSAQDBFLVRR-BBFXTFFKSA-N 537.975 5.121 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408569662 WVKBYHNPKMGJDP-OYMMJLNRSA-N 532.811 5.748 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 408573418 SSAYHDKNDKMWDW-XMMPIXPASA-N 577.465 7.109 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 408638038 BOJITOKUFAGGSA-DNQXCXABSA-N 636.444 5.702 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Nc4cccc([N+](=O)[O-])c4)c3cc12 408719299 BWBZCUNXDBXONP-UHFFFAOYSA-N 660.646 8.438 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 408927761 XSLQEUVGQAGXQJ-LMSRTUJASA-N 575.668 5.077 5 40 KKBB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)N(C)C2=S)cc1 409036863 RTFOBIGPVOOVTP-HAHDFKILSA-N 523.998 5.830 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409138531 DEUDTFAVUYNAOD-HXUWFJFHSA-N 551.456 5.371 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409162302 ZTFQSYNVKRPLKP-QFEZKATASA-N 612.060 6.757 5 40 KKBB Cc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409178890 JLRSVCUYXNJURL-UHFFFAOYSA-N 513.289 5.050 5 40 KKBB Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 409182236 JJRVFBYBROUGBD-MHZLTWQESA-N 515.543 5.517 5 40 KKBB CCOc1cc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409191076 SANGMCCBYFCVBI-NDENLUEZSA-N 522.897 5.219 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409235241 ZETXSJZTFFXJNS-CIAFOILYSA-N 538.354 5.038 5 40 KKBB COc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1 409389612 QPMRLEUEBHICBO-BJMVGYQFSA-N 560.401 5.493 5 40 KKBB CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)c(C)nc32)cc1 2240698 BYRJUEHQPFTVJN-UHFFFAOYSA-N 523.980 5.470 5 40 KKBB COc1ccccc1-c1nnc2n1N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C(=O)c1ccccc1)S2 12624720 MDFSTKPXRFELEW-RBBKRZOGSA-N 507.959 5.157 5 40 KKBB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 13098887 PNKVGVKZSIVNCK-QFIPXVFZSA-N 517.607 6.990 5 40 KKBB CCOC(=O)C1=C(NC(=O)c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)S[C@@H]2CCCC[C@@H]12 16682577 YXEFIVSGCPRGED-YLJYHZDGSA-N 502.976 5.851 5 40 KKBB O=[N+]([O-])c1ccc(N2CCC(c3ccccc3)CC2)c([C@@H](Nc2ccccn2)n2nnc3ccccc32)c1 59488694 RUBGHPIEOJFACI-LJAQVGFWSA-N 505.582 5.778 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(=O)c3ccc(Cl)cc3Cl)[C@@H]2C1=O 107176123 BFCHFVQHFQCYDZ-ZYQDXHPFSA-N 548.382 5.608 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 112251830 PIKSWZOKTZRHOK-JVWAILMASA-N 526.570 6.572 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C(=O)N1c1ccccc1I 150415431 WCMTWYVEPIEPRK-UBFVSLLYSA-N 623.428 5.979 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 150634380 QCDACXZTCMGNDE-WQNUKSJVSA-N 668.555 5.909 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1 214915555 ODCVZUAXFQYNDU-RGVLZGJSSA-N 515.341 5.862 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)o1 215065597 OGNVICOFELCIPX-RGVLZGJSSA-N 515.341 5.862 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223279385 PCZLILUQVVWBAG-PMERELPUSA-N 635.142 5.220 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223544999 KASWPTPXGXFBDJ-ZBLYBZFDSA-N 554.112 6.036 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224888179 ZFERFHXHAKIRNE-QFIPXVFZSA-N 691.634 6.280 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225508235 PZOVDFYASXABTO-WNCULLNHSA-N 659.205 5.791 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225545183 FNVMEDRTUDFUFH-YTTGMZPUSA-N 707.647 6.109 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 225697342 OFIPRYANABOZNA-RRPNLBNLSA-N 527.606 5.560 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260931584 KTZHDGWXBLUFAI-OAQYLSRUSA-N 710.047 5.713 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261025705 WELLIZYDDGLACG-OAQYLSRUSA-N 722.058 5.999 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261125017 ZSHZVZGYRJSWPD-GOXGLGGOSA-N 707.647 6.107 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc(F)c1 408553550 AHEYVXQRIFILJG-UHFFFAOYSA-N 522.314 5.928 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 408573510 SZKYTAKLDCOPOU-XMMPIXPASA-N 579.893 7.234 5 40 KKBB Cc1ccc(Sc2ccc(/C=C(/Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)O)cc2[N+](=O)[O-])cc1 408634437 REXWVFVCNQKOLQ-FYJGNVAPSA-N 525.995 6.976 5 40 KKBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Cl)cc2Cl)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 408688053 VPGNGGWAVCJXPH-JOCHJYFZSA-N 506.363 5.508 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408734102 DBCQRAUVWGPGJO-PRLWALMFSA-N 638.098 5.417 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408831664 UUXREUDYUJNUIH-IZBTWGKQSA-N 895.819 6.691 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n21 408935354 DKUPJHQPHHOFLN-ZSJKCPIUSA-N 638.496 5.126 5 40 KKBB CCOC(=O)c1ccc(COc2c(Br)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(OCC)c(OCC)c3)C(C(=O)OC)=CN=4)cc2[N+](=O)[O-])cc1 408949888 SMWYAYQZKNTONC-BCQKFBGJSA-N 766.623 5.242 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408980194 FBZLWWZTJKQJCG-TVRVIFGSSA-N 742.206 6.102 5 40 KKBB C[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 408997355 FQQOIDBBSVAGHX-DWACAAAGSA-N 507.590 5.332 5 40 KKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1I 409051017 GUAQZUOECXJTIB-UHFFFAOYSA-N 545.333 6.381 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5OC)o4)c(=O)n32)cc1 409090877 QZZTXXQROHHHTB-PYCBVSLESA-N 622.659 5.059 5 40 KKBB CCOc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1 409091590 VJWNCQQFAJHOHF-UHFFFAOYSA-N 520.920 7.065 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccccc1OC 409105357 MZTDMSJIJZPDSS-JPWHIBCASA-N 723.855 7.145 5 40 KKBB CCOc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1cccc(Cl)c1 409139414 AGUMKJKENJSTNI-BHVANESWSA-N 634.132 8.587 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409161160 WYWHEFCRXOHMHR-OAQYLSRUSA-N 565.483 5.679 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409179208 QIQOCPSGDAUISI-KKLWWLSJSA-N 644.592 7.065 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409194930 GBHSECYIOFSBBP-YBFXNURJSA-N 512.462 5.487 5 40 KKBB O=C(O[C@@H](c1nc2ccccc2[nH]1)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 409331145 CPAHQSYSOUYHFA-CLJLJLNGSA-N 592.524 5.752 5 40 KKBB Cc1cccc(Oc2cc(NC(=O)c3nn4c(C(F)(F)F)cc(-c5cccs5)nc4c3Cl)cc([N+](=O)[O-])c2)c1 1013692 LBNSNJFZAJEIEU-UHFFFAOYSA-N 573.940 7.391 5 40 KKBB COc1ccc(OC)c([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)c1 8437145 TYBFXDGZRBLJBV-IVQFASICSA-N 626.090 6.158 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 10034966 YEHCOHIGABSMMP-FLXZHSAZSA-N 507.546 7.828 5 40 KKBB CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C\C1=C(C)C[C@H](O)CC1(C)C 70451207 ABTRFGSPYXCGMR-HCLIQTESSA-N 552.887 11.743 5 40 KKBB CCOC(=O)c1c(NC(=O)CN2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)sc(-c2ccccc2)c1C 97981584 IHSCEEWKVKKFKK-UHFFFAOYSA-N 543.045 5.223 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc4ccccc4c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 100362199 OSWIZGQMHLNIQU-JVWAILMASA-N 526.570 6.572 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 102872832 ZOBFGCHQGWUOAD-PFBJBMPXSA-N 606.012 5.067 5 40 KKBB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3F)n2[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 103141832 PTBVLKBTEDEXGQ-MLYOOKFZSA-N 555.632 5.641 5 40 KKBB CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103332732 XNSAOEIVFPMTFN-CUTZTJRCSA-N 583.644 6.403 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 103787608 QXCNPQUXDGSNAI-KEPJHFNWSA-N 584.028 6.279 5 40 KKBB O=c1cc(Oc2ccccc2)c2cc(Oc3ccccc3)c3c(=O)cc(Oc4ccccc4)c4cc(Nc5ccccc5)c1c2c43 105004830 HWLWTYPHSQBZGY-UHFFFAOYSA-N 599.642 9.863 5 40 KKBB O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306014 SMAHRJYLIQLDTB-UHFFFAOYSA-N 538.029 5.618 5 40 KKBB Cc1ccc(-n2c(COc3c(C)cccc3C)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 107673328 AMXJJCMFRWYQTA-UHFFFAOYSA-N 517.611 5.719 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(Br)cc1 108541384 HZGLEXWOXFTISL-YNMQQHPQSA-N 583.507 5.867 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccccc1 111465612 UXUZPZDJDFBHEV-ZHGFHMGHSA-N 591.645 5.412 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 164552794 SZSZHIUSYYTUJQ-JOHYPREOSA-N 803.631 6.045 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(C)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 169616968 CENOFRZMXFMADN-BNYMOMJGSA-N 676.725 7.109 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223857146 GYSZYGSCGBXMPJ-AFMDSPMNSA-N 542.463 5.999 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)o1 225601905 LGTQMFSODNUSPQ-KAYWLYCHSA-N 561.595 5.399 5 40 KKBB CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(=O)C[C@H](COC(=O)C[C@@H](C)CCCCCCC[C@@H](C)CCCC(C)C)CO[P@](=O)(O)OCC[N+](C)(C)C 263583592 MCQUNSGKFVLGIP-UCHMXPCYSA-O 831.278 13.629 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408566184 DZTNCQGJBICHPN-RUZDIDTESA-N 589.501 6.979 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 408568071 HNBPZQIWIKBVEY-NDEPHWFRSA-N 605.514 7.189 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1 408571586 PDCPPHHTPJWDJW-DEOSSOPVSA-N 563.894 7.533 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 408572769 RZSILKLVARYCOU-DEOSSOPVSA-N 624.344 7.343 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1F 408573084 SLJGQUBXSUAQGR-MHZLTWQESA-N 536.629 6.419 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)c1 408637636 MDZMUMRPJJAYND-AREMUKBSSA-N 636.657 6.817 5 40 KKBB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1cccc([N+](=O)[O-])c1 408657547 NATGIUARENMPEW-KBKVPSQQSA-N 655.490 5.525 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1 408981201 ABMXEEJKLJQEJF-OTHIGLTOSA-N 720.785 5.044 5 40 KKBB Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc([C@@H]4N[C@@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1 408988469 DNHNCGYLNYRKNG-WZONZLPQSA-N 552.659 5.705 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409124349 BNVKFFQFMDIDOM-KOEQRZSOSA-N 644.487 6.846 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409167527 IZPVGYBBFNTWJO-AFUMVMLFSA-N 579.656 5.969 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409181489 BRMRKLSIBMOGAB-UHFFFAOYSA-N 531.433 6.353 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409263152 APHAJULSMUUILD-ZMOGYAJESA-N 631.888 6.908 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)c(C)c1 409374599 UOVJDXLXWBGLND-LPYMAVHISA-N 504.568 5.045 5 40 KKBB C[C@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccc2c(c1)OCO2 3428462 KJECGRSMEHHLIR-AWEZNQCLSA-N 548.495 5.355 5 40 KKBB Cc1c(OC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)ccc2c1oc(=O)c1ccccc12 11865704 AAOBESHAFUCDSA-SANMLTNESA-N 507.542 5.698 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3c(-c4ccccc4)cnc4ccccc34)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 97949020 HRLAVGSOOVDMIL-UHFFFAOYSA-N 630.686 6.582 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]3c2ccc(OCC)cc2)cc1 97971238 AKSZYOCCHXPUBR-JMVGWDRJSA-N 570.602 6.737 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccccc1 100350234 QCNHEJZNVUVTAR-YBFXNURJSA-N 528.340 5.292 5 40 KKBB O=[N+]([O-])c1cccc([C@H]2CC(c3c(O)nc4ccc(Cl)cc4c3-c3ccccc3)=NN2C(=S)Nc2ccccc2)c1 100838542 RUANDARYORJCAJ-HHHXNRCGSA-N 580.069 7.717 5 40 KKBB Cc1ccc(S(=O)(=O)c2c(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)n(Cc3ccccc3)c3nc4ccccc4nc23)cc1 102411979 ZBZXLLVHVGLFKI-KNTRCKAVSA-N 603.660 6.334 5 40 KKBB O=[N+]([O-])c1ccccc1SN[C@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl 102580484 HZKAJNZYDCANRU-ZDUSSCGKSA-N 530.684 5.637 5 40 KKBB O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)/C(=C/c2ccc(F)cc2)CCC1 102901975 FPHYAICONJDWSC-ZIHKIDLISA-N 541.579 5.669 5 40 KKBB O=c1/c(=C\c2ccc(-c3cccc(Cl)c3)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 103790937 HZVZUAIJWPHBFX-HRIDGTDGSA-N 566.038 6.140 5 40 KKBB CC/C(=C(\CC)c1ccc(OCC[N+](CC)(CC)Cc2ccccc2)cc1)c1ccc(OCC[N+](CC)(CC)Cc2ccccc2)cc1 104395553 SHZWKGARMNCQEO-HFDYVGAYSA-N 648.976 10.289 5 40 KKBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1sc2cc(Cl)ccc2c1Cl 105303868 RNLSPDSRFHVDET-UHFFFAOYSA-N 529.858 5.607 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112231682 HBTNCTMFGZBFCM-UHFFFAOYSA-N 537.985 5.020 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C 147937014 TYFXHMRRXLKSBT-QHCPKHFHSA-N 579.708 5.496 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225280763 GUXIGDQNOSNTEQ-GDLZYMKVSA-N 661.608 6.353 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCCC1 408552043 RNSFJRNKAHCQQW-YBFXNURJSA-N 580.844 5.248 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408563312 AEQLRBGFNFJSML-VANZEMCSSA-N 592.490 5.790 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccc(F)cc1 408565517 CDWAXZOKOOVNMP-DEOSSOPVSA-N 543.020 6.374 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 408567658 QYLMRBRYPSGBRJ-OCAOGGMISA-N 552.002 5.511 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OC 408567678 HCMNNVBOPRQEGO-LJQANCHMSA-N 507.410 5.082 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccccc1F)[C@H]1CCCN12 408568783 UPCZNECLBVFRJF-AWTIUKJOSA-N 552.400 5.222 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 408571189 OCJIINSWZDJWDD-HSZRJFAPSA-N 588.415 6.075 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc2ccccc2c1 408572203 QUOMYVIYAPWXGI-SSEXGKCCSA-N 570.671 6.825 5 40 KKBB CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC 408576158 XLRKABLHBCROFZ-NRFANRHFSA-N 521.437 5.472 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408688662 WLWDAVQDFLNFEN-UHFFFAOYSA-N 539.158 6.062 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732704 XPROLDQACWHRRA-SFHGJLOMSA-N 794.839 6.679 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917655 ZIGVROQOUHUSTN-CIAFOILYSA-N 515.374 6.717 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(COc5ccc(C)c(C)c5)n4-c4ccccc4)cc3s2)c([N+](=O)[O-])c1 408983476 KOTXCSVWLBUZMC-UHFFFAOYSA-N 741.877 7.451 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 408999677 RXRRRLNPXCCSBK-DTDQMKFYSA-N 694.747 6.266 5 40 KKBB CC(C)CN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2ccccc21 409115265 LIUAPIYGARZJEU-NHDPSOOVSA-N 586.280 7.242 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409191657 KDLHTBWXDOVTFF-BYHXYDORSA-N 518.909 5.610 5 40 KKBB COc1ccccc1N(C(=O)c1cc(F)c(F)c(F)c1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3347225 XCIZAWPHRLBJKJ-UHFFFAOYSA-N 503.433 6.262 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)N[C@@H]1c1ccc(Oc2ccc(OC)cc2)c([N+](=O)[O-])c1 3418702 OFYJNVAEDGNHJN-RUZDIDTESA-N 537.956 6.157 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16037824 UNVCFEQCMWMNQQ-HFLBTKGNSA-N 515.525 5.146 5 40 KKBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 32111939 SFHQFZYWSYHXOZ-UHFFFAOYSA-N 508.317 6.881 5 40 KKBB O=c1oc(=O)c2c1c(Cl)c1c3c(Cl)ccc4ccc(Cl)c(c5c(Cl)c6c(=O)oc(=O)c6c2c15)c43 100003033 CEOSGQKGZQZWBE-UHFFFAOYSA-N 530.102 6.160 5 40 KKBB C[C@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100097722 UEHIQHAGEMILKQ-ZBBKGZSWSA-N 603.583 5.885 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 100305765 QVBOVMXZQUIBPV-QARYAGPDSA-N 622.497 5.462 5 40 KKBB O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 100350615 MNWIGJSWDLKXAY-UHFFFAOYSA-N 582.459 5.737 5 40 KKBB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 102762433 FVWZUVLOVQAJFF-KMDXXIMOSA-N 507.930 5.088 5 40 KKBB O=c1cc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCCC4)c3)n2-c2ccccc2)c2c(ccc3ccccc32)o1 103086084 DNRCGPYKMHGUDW-UHFFFAOYSA-N 594.718 6.271 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 104143824 DUONHBGHQMEVTO-NEWJYFPISA-N 534.355 5.300 5 40 KKBB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3)CC2)c1 104146763 LZYJFJNRHLMXSK-UHFFFAOYSA-N 570.602 5.395 5 40 KKBB CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 105308019 PTNRGGGJNCEIKR-UHFFFAOYSA-N 564.067 6.907 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 106703254 NXEXOLNYWYQZCN-UUYOSTAYSA-N 514.481 6.951 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 108282540 CXTCJZZVJSGEGO-KEPJHFNWSA-N 617.680 5.071 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(COc4ccc(C(C)(C)C)cc4)n3-c3ccccc3)cc2s1 164036130 XURIAPFDJFXESA-UHFFFAOYSA-N 726.906 8.693 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224157266 ADRUCLGZSBDDHS-SANMLTNESA-N 540.085 5.648 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224343351 HWUIXNOBFJYZFI-LJAQVGFWSA-N 657.189 5.627 5 40 KKBB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 224854674 SPFGFJDOHXCSCL-FTJBHMTQSA-N 532.578 5.453 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224876274 ODRQXYIQNJXUTR-AREMUKBSSA-N 540.085 5.646 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225589792 QHOKODYTNGAUQL-MHZLTWQESA-N 588.557 6.691 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc(F)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 227547153 LNOWRYJZHHMYLY-BIQRORRISA-N 526.520 5.175 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]2[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)c3sc(=O)[nH]c3S[C@H]12 245242056 YDFNPRCPBPZTAW-BYXVQRNISA-N 573.574 5.041 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260945795 SXGIDUGPINLWRL-PSXMRANNSA-N 733.287 6.850 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261112028 YAJKJLUXEBRULS-SFTDATJTSA-N 665.596 5.746 5 40 KKBB O=C1CS[C@@H](c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 408554187 CECNUVKTZLWYGZ-QFIPXVFZSA-N 519.804 6.368 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)O)n[nH]1 408631803 GLWCMOBJUBAGKH-JAIQZWGSSA-N 512.931 5.828 5 40 KKBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408648162 JSCUPRLTEKTTHW-STLIJGODSA-N 585.616 5.424 5 40 KKBB CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl 408840676 CZAWLGGJOCQKNI-DEDYPNTBSA-N 562.987 6.734 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)C1c3ccccc3C2(Br)c2ccccc21 408919449 YBNCHQXIWLSUFG-ISQHLFTMSA-N 509.743 5.151 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(Cl)c(Cl)c5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408948425 RNQCIYHFONQHRI-GQFLCQBOSA-N 763.450 6.372 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c(OC)c1 408979420 QMWGLAJSVFLCDL-AHDXEZHLSA-N 692.750 5.387 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(Br)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409042734 ONDUTCBGESORRT-OOIQZMFUSA-N 555.428 6.398 5 40 KKBB CCCCN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409075191 XEMJSJCUQZCROR-WQRHYEAKSA-N 570.259 6.535 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 409165933 BEJWZDVGYCSHMF-UDWIEESQSA-N 528.746 5.687 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)ccc1Cl 409169659 QTSIQIBBEMOESY-FOKLQQMPSA-N 626.987 5.800 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl 409171416 AXGGTYFAYDVJIY-MYYYXRDXSA-N 704.135 5.656 5 40 KKBB COc1cc(CNc2ccccc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409179373 MKSCCRNTQQPXOR-UHFFFAOYSA-N 524.742 6.053 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409191397 GMJFNUXDDINXCN-BXMULHQWSA-N 780.716 6.272 5 40 KKBB COc1cccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)c1 409192639 DCPWDCOKTBERTR-MZGCFZMMSA-N 549.333 5.329 5 40 KKBB COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409270867 BEOVSYQADGMJBS-NHDPSOOVSA-N 550.898 7.309 5 40 KKBB CCCn1cc(OC(=O)c2ccc(Cl)cc2)c2c1nc(-c1ccc(Cl)cc1)n1c3ccccc3nc21 2398828 MWAFCKJQLLCYJZ-UHFFFAOYSA-N 515.400 7.440 5 40 KKBB CCOC(=O)c1cc(CC)sc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 8857516 IZLOIPJFLQAWKP-UHFFFAOYSA-N 521.639 6.107 5 40 KKBB C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12918138 SFQRAAHDIFBZJJ-ZDUSSCGKSA-N 507.478 5.475 5 40 KKBB COc1cccc(CN(C)C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1OC 13098348 AECPOGNOBXWDOB-UHFFFAOYSA-N 506.502 6.054 5 40 KKBB Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)c1 14274390 ZOPHKELJKSVTBX-UHFFFAOYSA-N 515.595 5.829 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 20411072 QXOWPTFKKRTHLA-FMIVXFBMSA-N 500.492 5.962 5 40 KKBB CCCCOc1ccc(C(=O)[C@@H](CC[C@H](C[N+]2(C)CCCCCC2)C(=O)c2ccc(OCCCC)cc2)C[N+]2(C)CCCCCC2)cc1 95856915 HZQBNIXCSYZYBH-MAZIBIHTSA-N 663.000 9.164 5 40 KKBB O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 97954719 OOJBUMXXZRKXGN-KEZOAJOQSA-N 534.355 5.300 5 40 KKBB CC(C)c1ccccc1-n1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(Cl)cc1Cl 103002495 NJZDFCNKDYNVNE-HNNXBMFYSA-N 590.920 8.045 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 105304628 KSGKCDDGIYWWEY-UHFFFAOYSA-N 540.601 6.591 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 150389521 AYFUOHOFTNJEDT-KCQXITDRSA-N 668.522 5.055 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223501573 KPRUAWKCVHZGBI-RUZDIDTESA-N 570.509 5.367 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224516343 VBVSGKZTSKVNAX-VWLOTQADSA-N 598.494 5.300 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccn(C4CCCCC4)c3)cc2)cc1 224790641 ZNZICFDJQCKYJJ-WDYNHAJCSA-N 555.729 7.625 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 225082212 YDXPBYCFAPUJBN-IOWSJCHKSA-N 590.665 5.975 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225214335 VXPLTWNNCMHFBB-QFIPXVFZSA-N 675.602 5.203 5 40 KKBB CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 248338605 RTWWHVYTDFRGAQ-OTGBHNIOSA-N 625.725 7.574 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 408565336 BSBYYGATLHFZJS-XMMPIXPASA-N 584.452 6.244 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)cc2)c1 408566741 GALQXNUOLOREHI-MUUNZHRXSA-N 510.619 6.726 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)[C@H]1CCCN12 408567228 QJXNRKJILOFDGJ-YUHKXCSQSA-N 603.300 6.389 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1 408568692 IIQJLOBFUDGWOR-SANMLTNESA-N 504.612 5.890 5 40 KKBB CCn1c(S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408631480 FBWCCNQHBAFJGQ-MXAYSNPKSA-N 562.604 5.687 5 40 KKBB COc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408826257 CQYNLFISVRAKKH-JLKMOJGBSA-N 545.620 5.389 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccccc5F)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408933512 BBTBIUQOXVZPGL-UONGPDOGSA-N 712.550 5.204 5 40 KKBB CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)N(C)C1=S 409038411 OVVCFUFSOYXINC-YVLHZVERSA-N 555.248 5.119 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)ccc1Cl 409174630 VWQCZBUCECDTPC-CVKSISIWSA-N 624.071 6.459 5 40 KKBB Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2ccccc2C1=O 409183094 RDYUWZGYUXZNRJ-MHZLTWQESA-N 520.497 5.485 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409224465 LPLBUEGRFPHMJA-MFKUBSTISA-N 518.547 5.492 5 40 KKBB Cc1cccc(CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)c1 409234657 ONEHDAZUSUTHCP-WSDLNYQXSA-N 556.800 5.991 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 409259144 ZUUBIRDPZOAJOJ-UHFFFAOYSA-N 541.935 5.718 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409269769 DMVWJGSKFGRLBL-QRVIBDJDSA-N 598.431 5.620 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 409272765 GZQOHQBIFCHLEE-FSJBWODESA-N 571.533 6.698 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409274917 REOSXLKAYHJOGZ-LSHDLFTRSA-N 591.951 7.043 5 40 KKBB CC[C@@H]1CCCCN1Cc1ccc(NC(=O)CCC(=O)[C@H]2CC(C)(C)[C@@H]2CCc2cnc(-c3cccc([N+](=O)[O-])c3)[nH]2)cc1 643913341 RPUMLEYWGJEMRW-WEAWZCMZSA-N 599.776 7.332 5 40 KKBB CCCC[C@@H](CC)Cn1c2ccsc2c2sc3c(sc4c5sccc5n(C[C@H](CC)CCCC)c43)c21 1776011046 UADKGDDJUZOUSC-WOJBJXKFSA-N 554.916 11.734 5 40 KKBB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 9614459 IECFGRMHFGWOOB-QHCPKHFHSA-N 515.747 5.018 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1[N+](=O)[O-] 22837154 YLGXUQPRGPWVKM-UHFFFAOYSA-N 513.000 6.050 5 40 KKBB O=C(c1cccc(Br)c1)N1CCN(c2ccc([N+](=O)[O-])c(NC3C4CC5CC(C4)CC3C5)c2)CC1 100168139 LSHILVXKRVNKSO-UHFFFAOYSA-N 539.474 5.556 5 40 KKBB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c3cc(C)ccc3n2)cc1 100396991 OSCLHRVEXDNURD-UHFFFAOYSA-N 548.551 6.959 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 101631705 CADVJEXUNDDBFV-OYKKKHCWSA-N 533.562 5.166 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 102792597 RVJNPKVPCKOEAF-UQBOJQRSSA-N 540.834 7.992 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N(C1CC1)C(c1ccccc1F)=N2 102940545 VTKLSZMLXPARBT-HUESYALOSA-N 585.580 6.105 5 40 KKBB O=C(COC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)Nc1ccc(I)cc1 103127731 PJDWNBMURKXKHH-UHFFFAOYSA-N 534.331 5.146 5 40 KKBB O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 103602791 RMVMWKIXQRQJKV-SKKKGAJSSA-N 571.589 5.317 5 40 KKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1NC(=O)c1ccccc1C(=O)c1ccccc1 108572159 HKFLWQPBNZPQHR-UHFFFAOYSA-N 549.568 5.849 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3)nc2c1 109958705 RVTLNSCCFAPNRB-CQSZACIVSA-N 553.438 6.806 5 40 KKBB O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 150386457 GGUUMDMQBFSYAB-UHFFFAOYSA-N 670.934 5.305 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 150394924 GGUDPWYRUAAETF-KUSDHMTMSA-N 637.670 5.121 5 40 KKBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224317464 SIFBFBDYFMEESU-MRXNPFEDSA-N 512.459 5.324 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225037776 JMQBYDSVWGLGOE-RUZDIDTESA-N 528.436 5.609 5 40 KKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Br)cc1 245285373 WSTYHZRHYRANJR-ULPJWEISSA-N 682.589 9.954 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 408565213 BHUYRFMBRYDVNX-DEOSSOPVSA-N 587.471 6.483 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 408569722 XFSQESMZCHQCEK-BQGAEBSMSA-N 537.975 5.121 5 40 KKBB COc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)n2)c([N+](=O)[O-])c1 408584372 OVYGGZNTTIKISI-UHFFFAOYSA-N 631.306 6.378 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]23)cc1 408728882 VWXFQAHQIYFUNO-BMPBIMJCSA-N 665.145 8.054 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408734275 WAMMJCWDMVQGHD-ANTIOXBPSA-N 748.641 7.559 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408767825 PFSVVTLSTHHQDN-MAYVVCKXSA-N 746.820 8.108 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 408778466 UXHNMGVJGFOQPW-DKOMQPSQSA-N 719.433 5.872 5 40 KKBB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408812359 MTNNXBZHJBPMGI-BKUYFWCQSA-N 588.379 6.028 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408835588 OFXVMUJXMIBYTP-LXYLXTGBSA-N 709.531 5.487 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)cc(I)c1OCc1ccc(Cl)c(Cl)c1 409083040 NIPOHISPWLMYQI-ZTJHJZSNSA-N 808.478 6.984 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 409168236 LTGKFBMTZKVVCQ-YDZHTSKRSA-N 594.558 5.378 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl 409171300 ZPVPCXWYSOOOBX-UUYOSTAYSA-N 613.004 5.296 5 40 KKBB Cc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409178604 MFFJCFXGIFBTHO-UHFFFAOYSA-N 553.483 5.761 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccccc1 409190408 YNZRRARAMZKDKG-CVNAYVFFSA-N 749.274 6.927 5 40 KKBB COc1ccc(Cl)cc1C1=N/C(=C\c2cc(Br)cc(Br)c2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)O1 409192885 FOKQIPYQSDSWAU-IPWSNOIBSA-N 662.674 6.745 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409227328 XYQIMPPGHUMJCZ-MFKUBSTISA-N 518.547 5.492 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409274052 UJZHEDIOSCUQKD-WGJPBTIMSA-N 673.191 5.742 5 40 KKBB Cc1c(Br)c(Br)c(Br)c(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1708971 ULHGKYKIBALTIL-UHFFFAOYSA-N 589.816 6.654 5 40 KKBB O=C(c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1)N1CCN(Cc2ccccc2)CC1 4018589 FFDQAICPTXAYQN-UHFFFAOYSA-N 544.007 6.791 5 40 KKBB O=C(Nc1sc2c(c1C(=O)Nc1cccc3ccccc13)CCCC2)c1cc([N+](=O)[O-])ccc1Cl 8445653 VFIXIUNUNZVPDX-UHFFFAOYSA-N 505.983 6.846 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccc(Br)cc3)cc12 11852760 DIMUYHUWPHAIOR-UHFFFAOYSA-N 587.404 5.624 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)N1CCCCC1 32124623 AGLHMBYFZSCPIF-MOSHPQCFSA-N 518.016 5.448 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@H]2[C@@H]1c1ccc(Br)cc1 97983316 ZDNBRCBWQVHZMF-BKIZBIRHSA-N 629.736 8.210 5 40 KKBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1[N+](=O)[O-] 100966805 XXJAVXKVGVYFHR-HOSOATPESA-N 616.673 7.092 5 40 KKBB O=C(Oc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12)c1ccccc1 102628680 WDLSFETWWHXCOW-UHFFFAOYSA-N 552.564 6.003 5 40 KKBB O=c1c2cc(Oc3ccccc3)c3c(=O)n(-c4ccccc4)c(=O)c4cc(Oc5ccccc5)c(c(=O)n1-c1ccccc1)c2c43 102629324 WFLWHZNMMFBYGI-UHFFFAOYSA-N 602.602 6.629 5 40 KKBB Cc1cc2c(cc1C)N(C(=O)c1sc3cc([N+](=O)[O-])ccc3c1Cl)C(C)(C)c1ssc(=S)c1-2 105513169 OYTNNMOJCOPPGM-UHFFFAOYSA-N 533.121 8.495 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215235640 JXPXFMGMUJPFHI-IFRROFPPSA-N 519.318 6.127 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223546400 HHBSGKILHPPXCI-FQRUVTKNSA-N 508.018 5.346 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223552117 KMYOPAWMOJXCRX-NLGDKJDOSA-N 663.196 5.998 5 40 KKBB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247340185 SBACVMWRUYNGQB-YRAGKPRHSA-N 585.572 5.305 5 40 KKBB Cc1noc(/C=C\c2cc(I)cc(I)c2OCc2ccccc2)c1[N+](=O)[O-] 408544994 WRBKYYKEXAYYND-FPLPWBNLSA-N 588.139 5.850 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl 408565568 LKASHLKONSLWSJ-XABOBXATSA-N 554.430 5.636 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(OCC)c(OC)cc2Br)cc1 408566792 GDRQVUJZSKSNPE-NRFANRHFSA-N 537.436 5.254 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccccc3F)c(Cl)c1)[C@H]1CCCN12 408570070 YKSFFEJOWQISHA-LADVCJOISA-N 542.394 5.766 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408570683 LWJNFNDQRQLBEC-BWBSTZKSSA-N 572.843 5.258 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408573684 UBJSQRBQMIYEFH-SANMLTNESA-N 573.502 7.279 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408677490 BYTOQKUTKYXFCA-HCXPYDJZSA-N 547.542 5.184 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408686298 RJRDCUSFAKAFGJ-SNINSWTHSA-N 669.088 5.507 5 40 KKBB O=c1/c(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408772727 HMLICOPFPVSHBX-ISZRBDKASA-N 589.648 5.945 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408846923 LOWGEOUINXXLJF-HZHHUVPKSA-N 634.714 6.058 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409035832 UGHPKFZMGAMZSS-TZUCAZQYSA-N 631.707 5.379 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036636 LCYASDHAMFZJBP-LMWPEEHHSA-N 845.519 5.761 5 40 KKBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C(=O)Nc2ccc(Cl)cc2)C1 409074589 VQBMWSMANQMZTE-MRXNPFEDSA-N 542.057 6.731 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409094892 GFMFYANNIQYGLH-RFZPLYKNSA-N 656.145 5.438 5 40 KKBB Cc1ccc(C)c(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c1 409113861 GBYUDRZVEZUKAN-UHFFFAOYSA-N 520.221 6.928 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1cccc([N+](=O)[O-])c1 409140866 GKKRGDDUEMDKMB-UHFFFAOYSA-N 500.993 5.381 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Br)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409141173 MHFWMTDGGMGRLW-IPAKXIGBSA-N 818.484 6.360 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccccc1 409190381 XYUATLIJUYDSBW-RYOBIWAXSA-N 687.203 5.790 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409206224 NGLIZOHTLSOBQH-VULFUBBASA-N 591.598 5.019 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409274106 VOKGGOAWSCFNBF-FSJBWODESA-N 587.835 6.509 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409348335 SEBUMRPKLRHFHG-FSJBWODESA-N 645.431 5.462 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1 409398326 CWAZWBSLQCPZJY-OCKHKDLRSA-N 590.770 5.062 5 40 KKBB COc1ccc(C[C@@H]2c3ccccc3CC[N+]2(C)C)cc1Oc1ccc(C[C@@H]2c3ccccc3CC[N+]2(C)C)cc1 1766827 CHPHCFWSDPAATF-VSJLXWSYSA-N 548.771 7.320 5 40 KKBB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12)c1ccc(Cl)c([N+](=O)[O-])c1 2313211 PLRVYYNISOANRW-UHFFFAOYSA-N 525.742 6.266 5 40 KKBB CN1/C(=C/C=C2CCCC(/C=C/C3=[N+](C)c4ccc([N+](=O)[O-])cc4C3(C)C)=C2Cl)C(C)(C)c2cc([N+](=O)[O-])ccc21 4235333 DWPZPPMMPDCDNT-UHFFFAOYSA-N 574.101 7.980 5 40 KKBB CCOc1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4ccccc4[N+](=O)[O-])c(=O)n2[C@H]3c2ccc(OCC)cc2)cc1 6234195 BICSXDIWIPSCKD-UCIQFCIPSA-N 593.705 6.188 5 40 KKBB CCN(CC)CCCN(CC(=O)N1c2ccc(Cl)cc2NC(=O)c2ccccc21)C(=O)c1ccc([N+](=O)[O-])cc1 6511132 GPTHONORRSPAPV-UHFFFAOYSA-N 564.042 5.353 5 40 KKBB O=C(Oc1c(Br)cc(C(=S)N2CCCCC2)cc1Br)c1cccc([N+](=O)[O-])c1 100543627 GFKCOKGDVLPYEW-UHFFFAOYSA-N 528.222 5.500 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 102629006 DRYMYLTYDBEWTB-UHFFFAOYSA-N 556.980 5.824 5 40 KKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 103140557 DXAAWPATHJRMLE-FXBPSFAMSA-N 513.549 7.321 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c2=O)=N1 104676715 IMDBLMSAHFQZOU-JLKMOJGBSA-N 615.708 5.879 5 40 KKBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2s1 105305737 AREKWGXFSPARSD-UHFFFAOYSA-N 531.663 6.297 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1c(F)cccc1Cl 106739611 FNLTVJRYHAUOGJ-CFRMEGHHSA-N 542.972 6.602 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2-c2cccc(C)c2)sc2c1CCCC2 150390230 NNCCDUISGPLUNP-UHFFFAOYSA-N 648.767 5.570 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 150416526 PGBMRVNWWUOCNX-JBDHCHCMSA-N 669.634 5.535 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223386966 HGLHIGZEBVFBJM-HKBQPEDESA-N 713.640 6.190 5 40 KKBB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)C(C)(C)C 225111225 QLPYISKVCGFBSQ-RRPNLBNLSA-N 570.675 5.951 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225494059 VFFRJPIKARQHNI-YTTGMZPUSA-N 646.741 5.486 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 261095819 UZPVNVMKMJBRHF-JGCGQSQUSA-N 642.778 5.653 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(F)cc1 408557832 QELITKXWAYNBAW-UHFFFAOYSA-N 522.314 5.928 5 40 KKBB CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1OCC 408577215 YSWKILGVFKGZBP-OAQYLSRUSA-N 537.436 5.254 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)cc2)n1-c1ccc(F)cc1 408577364 ZBGRWHLCHVLOAM-HHHXNRCGSA-N 514.582 6.557 5 40 KKBB O=[N+]([O-])c1ccc(NCc2cc(Br)cc(Br)c2OCc2cccc(F)c2)cc1 408603905 CAODYNRIKRMCTD-UHFFFAOYSA-N 510.157 6.450 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408755801 FSBADJROSMRIFW-LAUBZIAYSA-N 531.593 5.487 5 40 KKBB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 408818403 VJPQZWCHMQVLQQ-UZKHMLDHSA-N 523.034 7.562 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1Cl 408823398 DEKQVHLKBOOUPL-NFYDWNOTSA-N 747.849 6.464 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408828622 NGRWUBRDWINLCP-MIUGUJGPSA-N 727.033 6.489 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409173594 MDDYYECTBFEWSX-UHFFFAOYSA-N 592.379 6.071 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409180740 UZUXACRWZNPHKK-AREMUKBSSA-N 543.444 5.985 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(C)cc5)C(=O)[C@@H]34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409180856 WLTQIAZXIBEUBB-KGDDRZKESA-N 750.833 5.526 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409190223 QBWGCWLUDUQVAN-HZHHUVPKSA-N 774.325 6.112 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409198560 HVEWYSBMGCAYDM-UUYOSTAYSA-N 566.617 5.578 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409245902 AQNZOTIWOKVUPS-WSDLNYQXSA-N 636.851 6.677 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 712305 NPAORZXSLKMKDM-MEYXOBLXSA-N 572.847 6.329 5 40 KKBB O=c1c2c3c(sc2n2c(SCc4ccc([N+](=O)[O-])cc4)nnc2n1-c1ccc(Cl)cc1)CCCC3 1865255 GUIFBKNQZIMQTN-UHFFFAOYSA-N 524.027 5.828 5 40 KKBB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c2ccccc2)c1 12654836 ABMYDLKVHJAAGE-MHZLTWQESA-N 501.583 5.985 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)c1c(ncn3nc(-c4ccc([N+](=O)[O-])cc4)nc13)O2 22824320 LWWMUAIMIWBGCH-HSZRJFAPSA-N 501.506 5.480 5 40 KKBB O=C(COc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 32111926 FCGIVZWIGUJPCJ-UHFFFAOYSA-N 508.317 6.881 5 40 KKBB COc1cccc(C2=NN(c3nc(-c4ccccc4)c4cc(C)ccc4n3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 89657543 KHSJYYWJTGKMDH-GDLZYMKVSA-N 515.573 6.878 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5ccc6c(c5)oc(=O)c5ccccc56)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 102805294 HCSFRBRVRMVEBY-OEWQQVOASA-N 652.916 10.668 5 40 KKBB CC1=C[C@H]2N(c3ccc(C)cc31)[C@H](C(=O)c1ccc(C)cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 102870539 XLAZJFUBGHRGIC-RCFASBGUSA-N 583.644 6.458 5 40 KKBB COc1cc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3-c2ccccc2)c(C)cc1[N+](=O)[O-] 103134110 UJJKDVLEUMCJDG-UHFFFAOYSA-N 551.559 5.417 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 106696031 HHGRMFXKNJRXAH-UCQKPKSFSA-N 522.510 5.588 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC[C@]5(C)[C@H]3CC[C@@]21C 123231873 FGAOHUMBQGSZQZ-RIELVZHMSA-N 596.765 8.281 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 215117788 SGNCSBJHAUFDDV-FOKLQQMPSA-N 621.868 7.364 5 40 KKBB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222708883 GGJULVIQSSVPOL-KRWDZBQOSA-N 657.960 5.231 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224527627 XLCFWQDWXISACB-HKBQPEDESA-N 697.641 6.652 5 40 KKBB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1OC 225307644 OODJZZGMWXRODE-VSGBNLITSA-N 589.630 5.029 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225319336 SBQLQYQFJOTMCT-MGBGTMOVSA-N 642.778 5.655 5 40 KKBB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 225674964 BBIHSPNOPFMDCM-KAYWLYCHSA-N 543.605 5.260 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2Cl)C1 260916512 JFOZYGXJNYIJSE-JMGNVCAQSA-N 587.149 7.093 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccccc1F 408564998 AXYUXMTYNOOEEW-DEOSSOPVSA-N 543.020 6.374 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc2ccccc12 408569105 IVKPDKURSPUHRL-LJAQVGFWSA-N 540.645 6.817 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 408577399 ZFPZMLFPUMHURW-QHCPKHFHSA-N 594.318 7.334 5 40 KKBB CC(C)(C)c1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 408637224 HUUJBFWOYUDAHU-FQEVSTJZSA-N 516.550 5.464 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408680419 GETASGZFGPLNHH-QYVZARNFSA-N 563.997 5.698 5 40 KKBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O 409009954 IWHKJYRMVKWOQI-MQMKENTISA-N 626.425 5.165 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 409113062 DJKIFEOPEVHBMS-UHFFFAOYSA-N 557.934 5.418 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409147294 YDPCLEDDTDAJRN-UQDCTOEPSA-N 645.763 5.053 5 40 KKBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409182762 OAMIJISTEGLAQA-UHFFFAOYSA-N 596.957 5.821 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409255999 NEOMAWSSRNIJIA-OEAKJJBVSA-N 618.506 5.630 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409258980 YQLJEHNWEMOLCD-MSXFZWOLSA-N 565.438 7.050 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2nc(SCc3ccccc3Cl)nc2N1 958577 XFYUJBZTKDALND-QHCPKHFHSA-N 533.013 6.060 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 1315552 BPUCYKFKHMPCOM-ANOKCIKSSA-N 531.524 5.044 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl 1864068 GXHOICHGOBQPGE-UHFFFAOYSA-N 571.874 7.160 5 40 KKBB O=c1[nH]c2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1Sc1nc(O)cc(CSc2ccc(Cl)cc2)n1 2263755 GVDZLEXFIQAQLC-UHFFFAOYSA-N 549.033 6.696 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccccc1 13770164 DWUDWRLVTZJRNQ-UBFVSLLYSA-N 515.909 5.559 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1[N+](=O)[O-] 14273891 YJUCVZFPBMWXHL-UHFFFAOYSA-N 504.524 5.119 5 40 KKBB O=C1c2cccc3cccc(c23)C(=O)N1CCN(C(=O)COc1ccccc1[N+](=O)[O-])c1cccc2ccccc12 97983144 YIXFQKITZAHXSW-UHFFFAOYSA-N 545.551 5.609 5 40 KKBB CCN(CC)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(Nc3ccc(Oc4ccccc4)cc3)c([N+](=O)[O-])c2)cc1 100065598 SFNYXLXROJYUFS-UHFFFAOYSA-N 541.564 7.137 5 40 KKBB O=C(NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 100387998 IBBZJZZTXROVTG-UHFFFAOYSA-N 534.553 6.943 5 40 KKBB C[C@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 103698167 MAFNTTGKPRINDX-GASCZTMLSA-N 575.257 6.102 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)c5ccco5)CC4)c(Cl)c3)cc2[N+](=O)[O-])CC1 105302630 PSGYOYMILOSTQE-UHFFFAOYSA-N 552.031 5.292 5 40 KKBB Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)cc2)cccc1[N+](=O)[O-] 105318596 UFUYQKJNVXOAGW-UHFFFAOYSA-N 565.524 5.052 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105320214 YKTNSZOYMMPMHN-UHFFFAOYSA-N 528.952 6.299 5 40 KKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745916 ADWNYUWKZXYMJZ-MTJSOVHGSA-N 527.967 6.544 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)ccc5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)c1 163772088 XWOYZFXROMXZRC-ZPMAPHDVSA-N 680.580 6.577 5 40 KKBB Cc1ccc(-c2csc(NC(=O)CSc3nnc([C@H](NC(=O)c4ccccc4)C(C)C)n3C)n2)cc1[N+](=O)[O-] 197764379 VBJBGWDFXOJJNR-JOCHJYFZSA-N 565.681 5.013 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223457773 WTGTWANLYBOWGH-AREMUKBSSA-N 635.570 5.819 5 40 KKBB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccccc1 224770849 YZUDOSIOABDPBN-ROJLCIKYSA-N 591.762 7.785 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 224783944 GJOILVNRCHFORT-FQLXRVMXSA-N 594.678 7.017 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 224975731 ZJKZDUSKNUSGGS-DNQXCXABSA-N 506.971 6.089 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 248337419 PWVRXKYEONVPMP-CTMYTVLESA-N 590.035 6.494 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1cccc2ccccc12 408570863 MAUMGGVOIJLSMX-PMERELPUSA-N 554.672 7.125 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 408572086 QOTCUFGYNPPZMX-AREMUKBSSA-N 539.057 6.625 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408639595 GBDSCZXKIDROFM-UHFFFAOYSA-N 871.514 8.627 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408641244 CCHBWTFRCUSMGZ-MOVYAIRMSA-N 634.428 5.168 5 40 KKBB CC(C)[C@@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408652891 IMLHVTLKOFHXMM-GNBTXOOPSA-N 613.881 5.909 5 40 KKBB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] 408667096 QBCHJKVBUDCZSA-GFCCVEGCSA-N 623.232 6.276 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1 408824911 BVDUYNVUZPWKLD-GBIJUZDQSA-N 595.608 5.243 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408939096 MVBNXLAOJNWQRB-QUNTYYFUSA-N 818.484 6.440 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408981609 IJJJFEFZFOGVBP-FABFSAKGSA-N 672.115 5.774 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409106022 LRXBKXIZXJNIAP-AURKMBPUSA-N 645.952 6.232 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409107796 QQASJGYNUFQQQE-PRPIGUFTSA-N 692.794 5.761 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)ccc1Cl 409152879 LMLXKSUAHGZXPM-ZVHZXABRSA-N 614.032 6.149 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OCC)c3)C2=O)ccc1Cl 409157408 QTCKSGUZGRTADT-LGJNPRDNSA-N 708.067 7.700 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 409171960 FOCVQWSGSMLJNA-UMSFTDKQSA-N 565.585 7.653 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409274992 RTVKQWSITWXKBO-QRVIBDJDSA-N 510.955 6.467 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409275284 TVFYNYAWTLLYRQ-UOZQHNDTSA-N 652.773 5.479 5 40 KKBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(I)c1OCc1ccccc1Cl 409311860 CAINNXGFJKHZJG-FPLPWBNLSA-N 569.739 5.202 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(I)cc1 409327070 HLTAFJAXMQHDSH-MTJSOVHGSA-N 651.891 6.679 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409342251 CXSDUJWPSTXUBB-VULFUBBASA-N 629.613 7.603 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409355533 DGWMAHZWNXVPFZ-GKTKDVHMSA-N 760.006 5.861 5 40 KKBB CCCC[C@@H](CC)Cn1c(=O)c2cc(-c3ccc(Br)s3)c3c(=O)n(C[C@H](CC)CCCC)c(=O)c4cc(-c5ccc(Br)s5)c(c1=O)c2c43 1776010852 DTTOXIQTFZBNDH-FGZHOGPDSA-N 812.690 10.480 5 40 KKBB O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1 2024722 NDMZMKCQPJJXBD-UHFFFAOYSA-N 522.477 5.551 5 40 KKBB O=[N+]([O-])c1cccc(C2=CSC3=NC4=C(CCC/C4=C\c4ccc(F)cc4)[C@H](c4ccc(F)cc4)N23)c1 9085824 ILHZLQNEHBIFME-HACONHBVSA-N 513.569 7.853 5 40 KKBB COc1ccc(-n2c3c(cc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)c2=O)C(=O)CCC3)cc1 12436605 SNIIIKBPMNXPTD-UHFFFAOYSA-N 509.518 5.193 5 40 KKBB COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC 96006014 YXSLJKQTIDHPOT-IOHISSJDSA-N 929.161 8.066 5 40 KKBB world Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc4oc5ccc(NC(=O)c6cc7c(C)nn(-c8ccccc8)c7s6)cc5c(=O)c4c3)cc12 97984968 JLKITZPUMRDIOT-UHFFFAOYSA-N 706.809 8.868 5 40 KKBB O=C(Oc1ccccc1)Oc1ccc(N(C(=O)Oc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 97985265 RINXITHHPDIRAH-UHFFFAOYSA-N 584.562 6.720 5 40 KKBB O=C1OC(c2ccc(NC(=O)c3cncc(Br)c3)cc2)=N/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 100948012 WCSDVMZQCXMDCY-WSVATBPTSA-N 572.169 5.112 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 100951582 ACTPTKGANFSQKI-MOSHPQCFSA-N 537.322 5.320 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)[C@@H]3C2=O)cc1 102449209 XSUMLPOZXOCJPB-IARZGTGTSA-N 555.612 6.163 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@H]3C2=O)cc1 102859616 MTYNENLYGAFTQZ-AYQJTBPPSA-N 623.618 5.663 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1 103085898 DYKSFKBSSABALT-QHCPKHFHSA-N 548.049 7.030 5 40 KKBB CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 105313588 GZRLQVSOOBDGFO-UHFFFAOYSA-N 526.578 5.586 5 40 KKBB COc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1ccccc1Cl 105315028 ATKQVQKMALSNEY-UHFFFAOYSA-N 550.980 5.896 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 106701996 IZZCBJACJIJKNA-FMCGGJTJSA-N 521.507 5.849 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222778072 DJJCMNJZJCQHPP-VWLOTQADSA-N 700.041 6.399 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)oc1ccccc12 223528459 XJQXXLVJDWMOIV-UHFFFAOYSA-N 501.520 5.328 5 40 KKBB COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C 224770784 RQURTGYTLUYPKQ-NSOVKSMOSA-N 559.717 6.383 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 408564967 AVBYWQDZCRKZDY-MUUNZHRXSA-N 605.514 7.189 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 408572484 RHMGCDIRFXSGCG-JFDTUHHPSA-N 577.262 5.903 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1Cl 408688332 WAHBNTMDVXNHKM-QKCPIRFBSA-N 720.991 6.588 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(=O)c5cccc([N+](=O)[O-])c5)cc4)c(=O)n32)c1 408770436 XNYFKSJMXPKHFY-DDIUQFJASA-N 646.681 5.010 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408828152 VVPGXRKCVHOSLT-PRLWALMFSA-N 696.551 5.586 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4F)cc3Br)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 409078898 DVRAASKXWDRAQY-WQNUKSJVSA-N 682.524 5.196 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1 409149955 WNCFCQXAAGIZKP-OXDPQRGISA-N 679.780 5.410 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 409171616 BBLSBSOOVBWWSE-UHFFFAOYSA-N 563.349 6.852 5 40 KKBB COc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 409183013 RHWNQRBAAZMDRK-MHZLTWQESA-N 531.542 5.217 5 40 KKBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409198025 UXJYRMTUJNZVSK-GNKPEBMXSA-N 549.399 5.314 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409198605 ILXNKHBFWBQXIZ-GRSHGNNSSA-N 574.493 5.273 5 40 KKBB O=C(CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccccc1F 409201674 NLTFFEZWCPGORM-SRZZPIQSSA-N 603.788 5.260 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 409222433 XBEQANPLCIDEBQ-WPWMEQJKSA-N 550.571 5.421 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409345268 KWSGXWQAWCDKBO-FSJBWODESA-N 666.428 7.242 5 40 KKBB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)coc2c1 2272774 SMTKGUBHBPDLJT-JLCFBVMHSA-N 528.514 5.044 5 40 KKBB COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@H]3[N+](C)(C)CC2)CC[N+]1(C)C 3953947 PXXYOLIWFSWZNP-LOYHVIPDSA-P 624.778 6.846 5 40 KKBB biogenic,in-vitro CC1=CC(C)(C)N(Cc2ccc([N+](=O)[O-])cc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 6077365 UWKWYWZKOAHHOP-UHFFFAOYSA-N 550.702 9.180 5 40 KKBB CC[N+](CC)(CC)CCCCOc1ccc2c(c1)C(=O)c1cc(OCCCC[N+](CC)(CC)CC)ccc1-2 9159331 YYEOVJWXCGGIKW-UHFFFAOYSA-N 524.790 6.969 5 40 KKBB Cc1sc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n(-c3ccc(Cl)cc3)c(=O)c2c1C 9334220 XQGZBKIGAUEGLF-UHFFFAOYSA-N 500.989 5.356 5 40 KKBB Nc1ccc2c(SCC(=O)Nc3ccccc3-c3ccccc3NC(=O)CSc3c4ccccc4nc4cc(N)ccc34)c3ccccc3nc2c1 82185531 FLFZOHFFQPTMRT-UHFFFAOYSA-N 716.892 9.382 5 40 KKBB O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 95862964 MQGBYISSPZLIEZ-UHFFFAOYSA-N 647.895 7.019 5 40 KKBB COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@H]3c2ccc(OC)cc2)cc1 97971207 PNLLOSCXBMKJBK-PYAZBDDUSA-N 582.657 5.885 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100390950 KPTWWPRFVYUFGL-KBFVSZBXSA-N 544.947 5.709 5 40 KKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 101658583 PEGQCEHTHQVVAT-UHFFFAOYSA-N 546.468 5.324 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(SC(F)F)cc2)ccc1Cl 102927592 JWYYLUVBFLGLBL-UHFFFAOYSA-N 537.957 6.051 5 40 KKBB COc1cc(-c2nc3cc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)cc(OC)c1OC 104222735 ABCGISXOHGKPPO-UHFFFAOYSA-N 532.553 5.671 5 40 KKBB O=C(NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105315141 IVEGHUHNELXHEJ-UHFFFAOYSA-N 526.530 5.980 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 106716316 YMLMQXDLQBNLGA-MTJSOVHGSA-N 595.438 5.914 5 40 KKBB CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC 150548989 LZLVZIFMYXDKCN-GANUKYQHSA-O 831.149 12.573 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223245488 GFLFNRINFXHIBS-MGBGTMOVSA-N 658.777 5.192 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 224996133 GLSHOGKNICWMGE-VMPREFPWSA-N 573.122 6.847 5 40 KKBB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 225354699 KGDVSTXJACAMQC-UIOOFZCWSA-N 500.580 6.214 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 253373068 HPEVXTCHWZUTIR-MXMCVKMKSA-N 599.643 6.364 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260801862 QOYODXAKCMKOMQ-JOCHJYFZSA-N 645.178 5.135 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408568703 IJLHICBSVFOECA-MMOZRLFVSA-N 572.843 5.258 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 408646691 UCVNZZIQQDFUEN-UHFFFAOYSA-N 632.412 5.966 5 40 KKBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 408651656 NRYFBKULQWQKJK-STBOBJEWSA-N 608.434 6.131 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)c1 408666301 HECDIWDJQPZDJU-UHFFFAOYSA-N 547.608 6.418 5 40 KKBB CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 408736386 BJKMKPMRWVFSQB-OAQYLSRUSA-N 507.572 5.132 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408822614 BJQPLXIGHODOHL-SUAMDDGLSA-N 682.980 6.010 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(Br)cc1 408864981 AZHBABPUGCEYKK-UUYOSTAYSA-N 604.276 6.935 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1cccc(Cl)c1 409162232 YTMUBIPFXNYUAG-UFFVCSGVSA-N 554.924 5.624 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 409172465 IRZBHBOYOJFMIN-VVHYXOSJSA-N 689.526 8.230 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409174807 VJUAEUVDVKDHDI-LICLKQGHSA-N 510.846 5.055 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409181978 HGUMOMLXWZZPCJ-LSHDLFTRSA-N 598.977 5.941 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1Cl 409188495 CBTBBFJOFSZKMC-UWVJOHFNSA-N 641.055 6.990 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OC)cc1 409188888 BQSGOQSBIDODCC-PQRKSKNISA-N 717.229 5.798 5 40 KKBB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 409193067 HSMJNXSBGQTXMB-WQNUKSJVSA-N 737.647 6.347 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc(F)c(Cl)c1 409227067 XGZFNTJXRJLEAE-VXLYETTFSA-N 501.879 5.322 5 40 KKBB COc1ccc(-n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc3sc4c(c3c2=O)CCCCC4)cc1 3329204 RESPRUBDPXIMLA-UHFFFAOYSA-N 551.646 5.792 5 40 KKBB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c([N+](=O)[O-])c1 12600542 MTLCYXWQRASVOA-SANMLTNESA-N 520.545 5.079 5 40 KKBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 20060991 WIPSVOXPRANPDV-UHFFFAOYSA-N 506.005 5.229 5 40 KKBB COc1cc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 40468754 AFZFXCGWNVCBME-UHFFFAOYSA-N 506.946 5.566 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@@H]2C1=O 103933840 OUSQTBGMORHWRY-MBEDZMRZSA-N 585.616 5.626 5 40 KKBB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)CC2)cc1 105303374 QRZXUHBLZWRLQC-UHFFFAOYSA-N 541.652 5.354 5 40 KKBB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 105513159 GIMMHEHIBBOZOZ-UHFFFAOYSA-N 519.094 8.186 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc(F)cc1Cl 105981302 CIIHOJBWFMLJLD-MYKKPKGFSA-N 521.957 6.627 5 40 KKBB O=C(NC(=S)Nc1scc2c(-c3nnc(NC(=O)c4ccccc4)s3)nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c12)c1ccccc1 150484083 OYQJOQBXHPKSTL-UHFFFAOYSA-N 654.715 5.253 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223974545 VECAAXYMFHXMLG-OOOSNSGVSA-N 658.777 5.354 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224219143 JNXPYZPRVNAUIT-XIFFEERXSA-N 693.222 5.927 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl 225251250 SPSLTJYALYLSPA-UIOOFZCWSA-N 563.039 5.196 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 225258689 TXHCZIKLIVDPOB-UIOOFZCWSA-N 564.023 5.665 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225745176 RQYIFKSFUHDRIB-MGPUTAFESA-N 526.417 5.011 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccncc1)[C@]21C(=O)Nc2ccccc21 248343094 ZMPULFICGYXEER-AGKKXDHOSA-N 556.578 5.236 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260886953 PUFYAVBFDNMKQX-UUWRZZSWSA-N 672.804 5.580 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 260929835 OMVDKJXAXAVVIE-GDLZYMKVSA-N 661.608 5.757 5 40 KKBB CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OC 408571073 NGFDOVGVRWWKMV-LJQANCHMSA-N 507.410 5.164 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1 408576024 XESHSVXLJKIFBT-RUZDIDTESA-N 508.575 5.803 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730915 VTXNYMXYBUWSFL-MFCBUNOESA-N 557.628 5.090 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408754788 IORLUZPWAWCBJE-FPWMYLJGSA-N 708.705 5.562 5 40 KKBB COc1ccc(N2C(=O)c3cccc4c(-c5ccc(Br)c(C)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408758382 ZCDYQLSSGDZLKY-UHFFFAOYSA-N 517.335 6.295 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408845026 XPUULXMZIJIZMX-CBYYHRJHSA-N 799.949 6.095 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(Cc4cccc5ccccc45)n3-c3ccccc3)cc2s1 408986868 PSGHCPVPMHJPJM-UHFFFAOYSA-N 704.859 8.561 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409048809 PCYBOPDCXRUNMR-IVRZUQNJSA-N 801.068 5.652 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccccc5)C(=O)[C@H]34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409147855 ZPNDYJBQQRUQDB-JJIPFWIHSA-N 736.806 5.218 5 40 KKBB O=C(c1ccccc1)[C@@H](OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409176387 MEQGUQGXEFGTHH-YTTGMZPUSA-N 527.576 7.097 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 409182124 JGHPKWPXXASAQT-UHFFFAOYSA-N 570.941 5.764 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 409192566 YRVLTLMKADOXKW-UNDLXJOSSA-N 731.256 6.187 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1 409270036 NWNBOHNUSLJODC-YDZHTSKRSA-N 630.416 5.706 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 409270941 ITSZFWZXVUPELL-UHFFFAOYSA-N 550.036 6.513 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1Br 409339896 ZOJKVUZSFQIQQN-MTJSOVHGSA-N 604.891 6.837 5 40 KKBB O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8832996 ZTJPTYZIOUMBBD-UHFFFAOYSA-N 501.568 5.520 5 40 KKBB Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c2c1 9543557 FJAZTDSHXLWFPF-UHFFFAOYSA-N 518.525 6.950 5 40 KKBB CCOc1ccc(NC(=O)COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)c([N+](=O)[O-])c1 12600915 CBHZZVDCSHBVIP-JLHYYAGUSA-N 518.551 5.103 5 40 KKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)Nc4nc5ccccc5s4)cc3c3ccnc2c31 70708142 FSYIUGQIGHRUGD-OAHLLOKOSA-N 550.596 5.625 5 40 KKBB biogenic CCOc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]3c2ccc(OCC)cc2)cc1 97983324 AKSZYOCCHXPUBR-LTKJFQCGSA-N 570.602 6.737 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 100349258 PCPBPZGEXYEBND-SRZZPIQSSA-N 554.968 5.428 5 40 KKBB O=C(CCCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 100397053 YJTXSIRGMNGPHL-UHFFFAOYSA-N 623.445 8.021 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 100549452 NPAORZXSLKMKDM-LROCSFEJSA-N 572.847 6.329 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccccc4Cl)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 150552900 CKAOQDKLSCTTBS-IVQFASICSA-N 641.149 5.980 5 40 KKBB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CCCCC1 224770328 HJPIRZVKJZUMAE-IOWSJCHKSA-N 583.783 8.242 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 225029587 AJTFBOLJEBRHNR-HHHXNRCGSA-N 610.505 5.444 5 40 KKBB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C(C)(C)C 225111101 BGRZFPYJLQOYOB-KAYWLYCHSA-N 570.675 5.951 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225339684 MPRPGYWFBVXRQT-LJAQVGFWSA-N 657.189 5.112 5 40 KKBB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225359886 KVENPFKBKYEFDY-IZZNHLLZSA-N 500.580 6.214 5 40 KKBB COc1ccc(-c2ccc(/C=C/C(=O)N3c4ccccc4Sc4ccc(Cl)cc43)o2)cc1[N+](=O)[O-] 226363958 UONYVIDGSYYHLW-UKTHLTGXSA-N 504.951 7.360 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)[C@H]1CCCN12 408567222 QJXNRKJILOFDGJ-AWTIUKJOSA-N 603.300 6.389 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1ccc(Cl)cc1Cl)[C@H]1CCCN12 408569324 VPKAVJYCMNYLEI-YUHKXCSQSA-N 524.404 5.627 5 40 KKBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1cccc(C(F)(F)F)c1 408591393 LXTIJBDJGMJZTO-UHFFFAOYSA-N 537.516 5.073 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731629 OERHPFKQAWZFLV-SALIEYKESA-N 766.785 5.899 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 408823285 DRDZLINCTDVBRR-ORVZPOCUSA-N 821.431 5.803 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408927283 UWQRJKGTYUEILN-UHFFFAOYSA-N 689.566 5.309 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408974713 CGBYGHNRUQJTFG-LMSRTUJASA-N 594.045 5.019 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409050715 YWOQNFVMUHPDKA-OOIQZMFUSA-N 508.530 5.036 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409080744 OARNREVCQVJYHU-GWRYVSOYSA-N 708.587 5.455 5 40 KKBB COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1[N+](=O)[O-] 409128988 TUBSDSCYZHWHDK-MUUNZHRXSA-N 524.533 5.873 5 40 KKBB Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc2)C3=O)cc1C 409178416 HNDJZLNBVPCCKB-UHFFFAOYSA-N 614.610 7.954 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409178492 KFHBFSPATNLKGI-UHFFFAOYSA-N 679.560 5.853 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 409191554 ZACWBEAJRPLWNP-OUXZYKPHSA-N 734.263 6.865 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409359015 VIECEVDIGPVBPD-PIXWUVMMSA-N 678.561 5.365 5 40 KKBB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1 2799041 KKADNYKWOPGFTK-MRXNPFEDSA-N 524.524 6.857 5 40 KKBB CCOc1ccc(Oc2cc(Oc3ccc(NC(=O)Cn4nc([N+](=O)[O-])cc4C)cc3)cc([N+](=O)[O-])c2)cc1 2807308 AQYJVUOKRDHCOM-UHFFFAOYSA-N 533.497 5.630 5 40 KKBB Cc1cccc(COc2ccc(-c3cc(C(F)(F)F)c4c(C)nn(-c5ccc([N+](=O)[O-])cc5)c4n3)cc2)c1 9668610 JWHZAFSKPIJWGN-UHFFFAOYSA-N 518.495 7.210 5 40 KKBB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)CC1 57315778 XDYOXQHSSROOCO-UHFFFAOYSA-N 507.399 5.427 5 40 KKBB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NCCSCc1ccc(Cl)c(Cl)c1 59885923 OXZOSMNYJZRZRG-UHFFFAOYSA-N 554.477 5.147 5 40 KKBB CCOC1(OCC)Oc2c(c3ccccc3c3ccccc23)/C1=C1\c2c(c3ccccc3c3ccccc23)OC1(OCC)OCC 104225898 KLRRDUVXTACIQH-KXYMVQBMSA-N 612.722 9.449 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1OC 104658003 SOOWUHABTHWUDO-DXUGRCAZSA-N 605.672 5.813 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 104659118 KBTADJQGSFUIIQ-HRIDGTDGSA-N 566.038 6.140 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105322872 QLKRNDJPJMAPNO-UHFFFAOYSA-N 592.908 6.783 5 40 KKBB O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163225557 BUMXSRDPLWUFSN-IVQFASICSA-N 681.524 6.690 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214666665 DONOGRHGYSVYHS-YDZHTSKRSA-N 564.532 5.369 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl 214823893 QXCLPSAMHKGGQY-UFFVCSGVSA-N 569.344 7.949 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223875199 WHLXWMLSZSQOMF-NDEPHWFRSA-N 679.623 6.138 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225729011 JCQHXOSQJYJDTB-CCLHPLFOSA-N 635.570 5.819 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260862491 IBEZRSFJOYFYNM-HHHXNRCGSA-N 635.570 5.141 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260984766 BPLSYKQOCUVPSZ-JKFCTSDTSA-N 751.700 6.424 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408568957 VKMXIAPQIYKJEE-BBFXTFFKSA-N 643.332 5.854 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)cc1 408570585 LLLSOFNIQXMJAP-VWLOTQADSA-N 587.471 6.565 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)cc1 408573966 UHNYPIGTDVJERM-VWLOTQADSA-N 525.030 6.317 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc12 408574561 VFAFFIZQXSZRLI-MHZLTWQESA-N 639.959 7.843 5 40 KKBB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 408720377 MIYKCTCLBDPUMK-QYRZKEDASA-N 541.003 6.354 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3c(O)ccc4ccccc34)c2=O)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729620 BPHKVUKOWVODOC-PNQAETMRSA-N 651.697 5.262 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c1 408769019 KZJPXMBBPNMGHS-UHAPOFRNSA-N 662.724 5.378 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408770417 XHLMSHZKPMCIHQ-AUPFZTMHSA-N 834.452 5.958 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)S2)cc1 408783300 NXJCJXVQTDHLLW-PNZYDNNZSA-N 587.439 5.940 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 409032806 JLENZWSCXCXQBX-UDHMSBBDSA-N 729.653 6.569 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409102247 YASJIRRMHSFMOI-SRZZPIQSSA-N 572.799 6.086 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409172222 DHQUSKCZVMCWNW-UHFFFAOYSA-N 673.169 5.817 5 40 KKBB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409205714 JOOAFJOVNLVJNC-DJKKODMXSA-N 524.473 5.641 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(F)c4F)C3=O)o2)cc([N+](=O)[O-])c1C 409269743 DEWFUCFMRRFGJC-DJKKODMXSA-N 531.468 5.564 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409271719 LIGVATLDOFWSCE-FOKLQQMPSA-N 543.384 6.400 5 40 KKBB CCCCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3C)o1)N(C(C)=O)c1ccccc1-2 2113827 NYHOYSSJWKIHAS-SANMLTNESA-N 531.594 6.352 5 40 KKBB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 35147459 ZZRCKEOUYOLDIC-AREMUKBSSA-N 512.522 5.310 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 97971213 ZXSCXSAJACHKSR-BZVXMAENSA-N 612.599 5.685 5 40 KKBB CN1/C(=C2\C=NN(c3ccccc3)[P@@]2(=Nc2ccccc2[N+](=O)[O-])N2CCCCC2)C(C)(C)c2ccccc21 97983268 UAXTVRYRJFEFLN-SXENRYDHSA-N 540.608 7.889 5 40 KKBB COc1ccc(OC)c(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 101670094 JPSWEZZIEGDXBS-RCFASBGUSA-N 615.642 5.858 5 40 KKBB C[C@@H](OC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 103090784 YZPVNMODEPUZRE-CQSZACIVSA-N 554.784 6.410 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 104676964 BIPMWEIBEPFUHG-FATJQOLTSA-N 625.747 6.189 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112244111 QNMCJCJEELBOQI-UHFFFAOYSA-N 579.638 6.033 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c2=O)=N1 164193637 MUVFJRXYVQSLBT-LSVWWTIFSA-N 754.865 7.629 5 40 KKBB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1C 224767789 UPQALUGRDCZVHM-DQEYMECFSA-N 501.637 5.965 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224789909 ZIVCEEJPYCEOLN-KYJUHHDHSA-N 625.688 7.495 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 224825772 MVFCBJQRTVRDOG-LOSJGSFVSA-N 502.552 5.444 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 225175259 YAXQQFANTVUTAR-KAYWLYCHSA-N 527.606 6.084 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225517467 KVQDNSUZLOZHTO-SANMLTNESA-N 552.469 5.456 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 225577771 FJIYURNMKQFHFN-RRPNLBNLSA-N 526.622 5.090 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 408565494 CBNHPJFRTGTEIF-XMMPIXPASA-N 563.894 7.533 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(F)cc1 408572189 QTEHEDVPHWPSBX-JOCHJYFZSA-N 567.857 7.364 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc(C)c(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1 408758376 ZAXGIHIBKPKBGZ-KFOJKGMOSA-N 589.673 6.112 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 408828277 JIYYNZICAUGOSF-HVDVVURSSA-N 636.686 5.449 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408837632 KFEXUCVIIAAYQE-DPWKNNTCSA-N 660.852 5.064 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 409076902 CHBISZWGUWWHLF-OCEWKHMESA-N 592.098 5.511 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409106001 MBFPGQAWFQBGJQ-FQWZWQHVSA-N 686.171 5.447 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1CCCc1ccccc1 409138314 ZVAACJJDGCUKTD-HZHRSRAPSA-N 543.428 7.150 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1nc(Cl)ncc1F 409274176 NHGFBSBACMIENG-KEBDBYFISA-N 558.931 5.288 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1C 409355789 LHSKJAJYLWLMMU-FQEVSTJZSA-N 551.456 5.196 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O)N1CCCCC1 409369953 IDNDQKOVBURSKU-NDENLUEZSA-N 535.500 5.455 5 40 KKBB COc1cc(OC)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)c1 2246764 JUPBXOORNYBYHR-UHFFFAOYSA-N 511.969 5.311 5 40 KKBB CCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)c1 9892494 XMGXBUNUMRRHKJ-PDAMRLRISA-N 532.685 5.973 5 40 KKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)NCCCc4ccccc4)cc3c3ccnc2c31 70707893 JIQDFAHZCBWSQP-LJQANCHMSA-N 535.600 5.125 5 40 KKBB biogenic CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@@H]34)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1 77312211 GVEAYVLWDAFXET-IEPRWFHKSA-N 572.875 6.111 5 40 KKBB in-vitro O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)Oc1ccccc1 101631721 RTCRZNBDFJWQMU-HSZRJFAPSA-N 527.562 5.538 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4Cl)c(=O)n32)cc1 103865444 IQRRJIDNOLGMSR-FQKMCRJQSA-N 589.073 5.061 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6)o5)c(=O)n42)c2ccccc2CC3)cc1 104656642 YEQPRZFGLXDFDV-UNDLXJOSSA-N 561.619 5.496 5 40 KKBB C[C@@H](NC(=O)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1)C12CC3CC(CC(C3)C1)C2 104813180 CIJSUHKMJIWFLJ-OYZYGDNFSA-N 547.051 8.168 5 40 KKBB Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 105306328 VHWONPJEROFNNJ-UHFFFAOYSA-N 552.012 5.328 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccc(F)cc2)sc2c1CCCCC2 150390242 IWMQYWYQBOHEBY-UHFFFAOYSA-N 652.730 5.483 5 40 KKBB COc1ccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)/C(=C/c4ccc([N+](=O)[O-])cc4)NC(=O)c4ccccc4)c3)C2=O)cc1Cl 150484869 KFFAVHGWXZNRNG-YVBHXKDBSA-N 657.104 6.091 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(I)c5)c(=O)n42)c2ccccc2CC3)cc1OC 163289392 PQLFOAJFOCDBGT-XZYZCHRKSA-N 883.502 7.032 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Br)cc1 205701944 KOBTWMRPVBKTFI-WSDLNYQXSA-N 634.302 6.944 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223688206 PVVQADTXOIPHCI-DEOSSOPVSA-N 514.409 5.220 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223735147 LFKZJMXJDVJYMI-OGVWKLGRSA-N 725.239 6.454 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223857443 NRBZDWPBZABNTP-QFIPXVFZSA-N 526.486 5.859 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccc(Cl)c3)cc2)cc1 224766760 MEAAROIYIIYQQS-URLMMPGGSA-N 584.126 7.762 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1Br 224946533 IQATZVLTRRTJLY-DNQXCXABSA-N 535.423 6.498 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C 225167368 LGGJEPSXANOWBW-SXOMAYOGSA-N 526.622 5.615 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1C 225172302 LWRQYQCDEXLDNE-NSOVKSMOSA-N 557.632 6.092 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1C 225282468 VXCRJKWGYOBHNS-NSOVKSMOSA-N 573.631 5.329 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccc(F)cc1)[C@@]21C(=O)Nc2ccccc21 248329627 DPAPWPGRWVQXGD-AOFBEVEVSA-N 573.580 5.980 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1C 408575021 VNENSVOGHPGIHH-RUZDIDTESA-N 577.921 7.842 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408575038 VQNMKDHLYJGEJM-UEIHGBLLSA-N 607.288 5.912 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 408728864 VSAXATNKDHTDOO-MHDNGKQISA-N 630.700 7.401 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408728943 BDOBQJWAICMHAU-FJNIOPPGSA-N 779.463 7.071 5 40 KKBB O=C1N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1Cc1ccc(F)cc1 409015149 YUFFJIPCPXKGMY-SRZZPIQSSA-N 699.214 5.615 5 40 KKBB O=C1N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccccc1F 409097790 HIVMBKOQUZGXCF-SRZZPIQSSA-N 605.214 5.931 5 40 KKBB CC1(C)OC(=O)C([C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2c[nH]c3ccccc23)C(=O)O1 409114880 JSJMUZPSUPWJGI-XMMPIXPASA-N 579.403 6.002 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 409163295 PBBUZIREIXYBLH-QRVIBDJDSA-N 582.432 5.920 5 40 KKBB Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 409175309 ZBKYFPVBDJFTPL-MHZLTWQESA-N 515.543 5.517 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 409178842 IWLSSCFWMUSYRZ-UHFFFAOYSA-N 528.904 6.198 5 40 KKBB CCOc1ccc(-c2cc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 409180287 XUSJRFIXBKEKBV-WJOKGBTCSA-N 532.552 6.990 5 40 KKBB Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409182227 JJCKLVOLOUYJPU-HHHXNRCGSA-N 565.494 5.393 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccc(Cl)cc1 409191792 NJXDFLYYLFPMJE-CIAFOILYSA-N 592.798 6.673 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409192335 AZGICBKTHLAROP-ASUJOLEISA-N 824.179 7.341 5 40 KKBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(I)c1OCc1ccc(Cl)cc1 409351164 ZWORTXXEMSISID-YVMONPNESA-N 569.739 5.202 5 40 KKBB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2[N+](=O)[O-])N(c2ccc(Br)cc2)C3=O)cc1 1404721 VUKVZMMRVWQOFU-DEOSSOPVSA-N 519.355 5.896 5 40 KKBB O=[N+]([O-])c1ccc(Nc2ccc(-c3ccc(Nc4ccc([N+](=O)[O-])c5nonc45)cc3)cc2)c2nonc12 4013425 SWWWNSYUFBMJSO-UHFFFAOYSA-N 510.426 5.730 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 6280809 VJLZZKHAEWKLRE-INIZCTEOSA-N 538.427 6.033 5 40 KKBB COc1ccc(C2=NN(c3nc(-c4ccccc4)c4ccccc4n3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 6924941 FDFWCEMIXBAUAD-MUUNZHRXSA-N 501.546 6.569 5 40 KKBB Cc1cccc(Oc2cc(Oc3ccc(C(=O)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)cc3)cc([N+](=O)[O-])c2)c1 8445582 GFXBFZRQPGYAEC-SMSSPDGJSA-N 526.633 7.823 5 40 KKBB COc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1[N+](=O)[O-] 8832761 FQZBPVZREMPSQI-UHFFFAOYSA-N 504.568 5.340 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 57312790 DKQSMABWPQJVSN-SAPNQHFASA-N 501.498 7.468 5 40 KKBB O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1cc(Br)ccc1Br 100026051 GAYYOYHQEPYHRE-KPKJPENVSA-N 527.172 5.989 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 100352727 VQVOKINOJHJTMS-XGOVMHJQSA-N 598.995 5.638 5 40 KKBB Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4Cl)cc3)c1)C2=O 101460753 JSSCCVJOUCDYHK-UHFFFAOYSA-N 593.979 7.055 5 40 KKBB Cc1ccc(-c2nc3ccc(C)cc3c(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 101465662 CGIKINYLZHAZPN-UHFFFAOYSA-N 546.579 7.567 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 105303343 DTFNEQNLQKKLRM-UHFFFAOYSA-N 555.443 6.331 5 40 KKBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 105303871 JIXDDOXDRHJJQT-UHFFFAOYSA-N 539.828 5.652 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 150389619 KOWDBFUEJKSNQR-BUDNTJSZSA-N 694.560 5.065 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(F)cc1 150394842 PLFWMYFHDMGGRE-OINPTKSXSA-N 625.634 5.252 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 163759223 OHFGMFZGIJNVFL-YVBHXKDBSA-N 628.663 5.530 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 197884161 VIZJBLNOWGMNHA-HSZRJFAPSA-N 579.708 5.496 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214339186 YZWGRTJJCKSVRK-SSDVNMTOSA-N 548.470 6.790 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222682337 YDOWHSFQENCIPF-VWLOTQADSA-N 700.041 6.399 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223386901 HGLHIGZEBVFBJM-WJOKGBTCSA-N 713.640 6.190 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261041020 YZGXHLXAAQULEZ-PSXMRANNSA-N 698.842 6.114 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 408570944 MKUKHPSOOSUHKK-NDEPHWFRSA-N 548.665 6.371 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408618982 FMMWUELDNIDSAI-KXANFNGZSA-N 705.981 8.744 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408644742 RPWPMLNTOXUJOJ-UHFFFAOYSA-N 555.930 5.577 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408645763 IFTJSISRVNYODY-CHABCMITSA-N 606.418 5.741 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733197 GBYGPPLQKFRECA-PNQAETMRSA-N 744.620 6.625 5 40 KKBB O=c1/c(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408757649 OIBKQOMNIXBNOP-QQMBNGEASA-N 902.346 7.778 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408828295 LLNZYDSQNFIZNJ-RWTNITNYSA-N 632.016 5.779 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408831581 PQNCBOCUANIXCP-CRCYZHLCSA-N 727.431 6.119 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408981263 AIYXWRXQWAHMPO-TZUCAZQYSA-N 708.587 5.455 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccc(OC)c1 408998455 UNNOQVGLELWZEK-JOHYPREOSA-N 726.605 6.194 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1CC1CCCCC1 409140989 GIWIPDSTCAVDNB-LPYMAVHISA-N 578.428 6.395 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)ccc1Cl 409153802 NAICVMWHRQOFQT-LPYMAVHISA-N 569.979 5.750 5 40 KKBB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409180338 QWLDNWAOLMTMJU-UHFFFAOYSA-N 563.733 5.369 5 40 KKBB CCOc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1OCC 409191558 ZBEVMTRLBIUFKV-RQXPBMLRSA-N 686.309 6.881 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 409195032 QURNYUMXEVXUKY-JEBSQDRDSA-N 793.283 6.656 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc(I)cc1 409329203 BZDIZNDJLSYOBB-UUASQNMZSA-N 578.171 5.181 5 40 KKBB CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 1315680 NYRYWQSYAOLPJN-XPNTWCBSSA-N 588.798 5.166 5 40 KKBB CC(C)OC(=O)c1c(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc([N+](=O)[O-])cc2)N3)sc2c1CCCC2 1811161 UYTIPFIXSXUXHB-XLIONFOSSA-N 577.585 6.209 5 40 KKBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cc([N+](=O)[O-])ccc4Cl)o2)N3)C1 8921680 XCGXXSFVSQJOSL-LJQANCHMSA-N 502.936 5.513 5 40 KKBB Cc1c(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1 9232688 NUPNEUPQMXKEFI-FMQUCBEESA-N 512.569 6.776 5 40 KKBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])c1 100171789 YPWPULNVVHQFHN-HOSOATPESA-N 616.673 7.092 5 40 KKBB O=C(c1ccc(Br)cc1)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccc(Cl)cc3N12 101064424 PVQXMHMJFXHCEH-AZOUXBGGSA-N 578.806 5.283 5 40 KKBB CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3Cl)CC2)cc1 105025690 SXTGDGFVSUWNDW-UHFFFAOYSA-N 537.016 5.560 5 40 KKBB COC(=O)c1c(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C2=O)sc2c1CC[C@@H](C(C)(C)C)C2 150437029 ZSYZZLHPWWHBHK-RFJJDEQASA-N 739.803 6.873 5 40 KKBB O=C(O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224786845 FUSVXAYKHCALRF-FQLXRVMXSA-N 594.674 7.276 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1OC 225195901 HCBKHLGOUAMSMR-KAYWLYCHSA-N 542.621 5.315 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 247312131 ITRYXDCMWFQUAB-TVXPCSCSSA-N 531.524 5.170 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 260904185 IHKVBBFQJVTRQW-GDLZYMKVSA-N 661.608 5.757 5 40 KKBB CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408556100 HQFKSJHHBREVEU-UHFFFAOYSA-N 601.635 7.485 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 408565310 BQOLTLCPUDGQQY-ACUUJPJHSA-N 532.811 5.794 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccccc1F)[C@H]1CCCN12 408568788 UPCZNECLBVFRJF-YUHKXCSQSA-N 552.400 5.222 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccc(Cl)cc1 408570870 MCRUSPXMDNRXJJ-QHCPKHFHSA-N 515.422 6.572 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Oc4cc(C)ccc4C(C)C)cc3)C2)c1 408667596 UMIHQWNVHOJBFG-HXUWFJFHSA-N 561.591 5.362 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(Br)cc1 408683958 MOGBONYKBYFKDR-AGTZKDDFSA-N 636.458 5.490 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733983 UDMNXTABEPGGCW-DKOMQPSQSA-N 584.437 5.273 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OCC 408737271 BFOGFUBTEUZQGJ-HZHHUVPKSA-N 636.730 5.417 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408825564 DFRIOADEYBZVNO-MFUBYVTQSA-N 757.368 6.897 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408830730 OGHCUWVBVNJFPC-GTWFGUSFSA-N 593.026 6.301 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 408830768 SSAUWWDWNPSACZ-POKSHJSXSA-N 637.739 6.134 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 408919680 BIPOFBKRXGCHRL-MFCBUNOESA-N 589.695 5.385 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1 409188035 FGYQQHXDRJDDGU-QHCWNQLDSA-N 800.706 7.042 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409204785 KERVETYSPGJZCL-MTDXEUNCSA-N 618.668 5.084 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc(Br)c(Cl)c1 409206415 OCAKBFDIZUMGTO-VXLYETTFSA-N 562.785 5.946 5 40 KKBB O=[N+]([O-])c1c(O)nc(/C=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)nc1O 409346636 NUZQTCVCYQJUGJ-UTCJRWHESA-N 541.127 5.210 5 40 KKBB Cc1ccc(C)c(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)c1 1875859 RWNNVOMXVMOEPZ-SSEXGKCCSA-N 553.626 7.501 5 40 KKBB O=C(COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 2766439 DSISUIWTIQHQIF-UHFFFAOYSA-N 506.414 5.713 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1c(Cl)c(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c(Cl)c1Cl 5329245 HDACGYMGVHSGMO-UHFFFAOYSA-N 572.188 7.238 5 40 KKBB CC1(C)CCCN(CCNc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1 8742722 XFTIXBACGCONGF-UHFFFAOYSA-N 523.677 6.772 5 40 KKBB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)c1 8792264 DRHTVPKCCGBYFX-QGZVFWFLSA-N 505.530 5.175 5 40 KKBB biogenic CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 16611103 NXNUNBFJIHEPEI-AWEZNQCLSA-N 508.987 6.697 5 40 KKBB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(OCC)cc4)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 35147463 JSTGVWFTENLIFM-AREMUKBSSA-N 512.522 5.310 5 40 KKBB COc1ccc(N(CC(=O)NCCSCc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 59881463 JEHZLXZWLQWMER-UHFFFAOYSA-N 598.530 5.464 5 40 KKBB Cc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@@H]2C1=O 97954230 WUEIGWUXFIVMAO-IARZGTGTSA-N 549.539 5.174 5 40 KKBB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2-c2ccc(F)cc2)cc1[N+](=O)[O-] 100816759 HUEOGPJOVUDLHZ-UHFFFAOYSA-N 588.543 5.303 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 102370246 HPEVXTCHWZUTIR-HATVSKDLSA-N 599.643 6.364 5 40 KKBB COC(=O)c1cc(COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc([N+](=O)[O-])cc2)CCC3)oc1C 103139137 DFCXWUQUKWODGY-XMHGGMMESA-N 512.518 6.065 5 40 KKBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103531268 YYPROOUPLMEMIX-PBNWVGGGSA-N 559.553 5.716 5 40 KKBB O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Oc1ccccc1Cc1ccccc1 103769922 VJPVFQNKDBNWEG-UHFFFAOYSA-N 590.476 8.033 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105320516 ZRFGONMSXCXTBZ-UHFFFAOYSA-N 588.789 6.514 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 150649448 ALQYNJMXOUJUNP-AGSVCEGISA-N 671.536 8.091 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(OS(=O)(=O)c6ccc(C)c([N+](=O)[O-])c6)cc5)c(=O)n42)c2ccccc2CC3)c1 163778205 OCFDRYISPAMXGC-VNOBABJFSA-N 665.749 5.312 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 197764410 QIVACMBTMSYRCJ-QFIPXVFZSA-N 600.126 5.841 5 40 KKBB Cc1[nH]c(C)c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1I 224762962 XUNQGYMLSWNCEA-JWQCQUIFSA-N 627.533 6.868 5 40 KKBB Cc1c([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n(-c2ccccc2)c1C 224791662 ALHRLRWQQILXSN-AJQTZOPKSA-N 591.762 8.034 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 224884397 UZVJGQDTODCLAQ-BJKOFHAPSA-N 522.970 5.795 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225113035 YVJADLLENWBWJF-WJOKGBTCSA-N 650.798 5.672 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225339280 OYBULYLXDHZDFB-GDLZYMKVSA-N 701.242 6.025 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)o1 225656516 FWWGZTHMXXIBGV-VSGBNLITSA-N 557.632 5.568 5 40 KKBB O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 230089975 RMVMWKIXQRQJKV-ATIZSFMBSA-N 571.589 5.317 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408563855 BFDUCDPNERUGEN-OCAOGGMISA-N 612.908 6.135 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408685065 OMQHBKBQUVAGMW-UHFFFAOYSA-N 608.048 7.369 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408685131 OTLJOHPJFRVFHR-QYVZARNFSA-N 563.997 5.698 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n32)cc1 408853066 YHUQPXAPTXGCHA-ISZRBDKASA-N 898.517 6.969 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCCC6)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 408991994 PQGQXACABMIDBH-UHFFFAOYSA-N 660.202 8.908 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409020390 OUGXEOGNVYHNLK-SRZZPIQSSA-N 511.893 5.068 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)ccc1Cl 409170175 UMBOUFRPOQHARD-FOKLQQMPSA-N 649.987 6.911 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1 409173486 ITFICJXCPRYJIB-SSDVNMTOSA-N 566.573 5.692 5 40 KKBB Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1C 409177686 CBPITTWSCYMTLI-NDEPHWFRSA-N 534.524 5.793 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)c(C)c1 409181735 FMKDTOWRQLEJTA-FSJBWODESA-N 571.533 6.698 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 409182541 MJKYGUSLYVUOBG-HHHXNRCGSA-N 570.941 5.838 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409232159 OGVDNWQMNDCWFF-BHGWPJFGSA-N 630.448 6.149 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)n1C 409346318 KAXKCMZKTKMACM-HXUWFJFHSA-N 551.456 5.196 5 40 KKBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2C(=S)N2CCN(Cc3ccccc3)CC2)cc1 409368596 DGDKOSLVVDVSKL-UHFFFAOYSA-N 526.456 5.430 5 40 KKBB O=C(Nc1ccc(Oc2cc(Oc3ccc(F)cc3)cc([N+](=O)[O-])c2)cc1)c1cc(-c2ccccc2)nc2ccccc12 2765709 AKGKEBSYAKFLDP-UHFFFAOYSA-N 571.564 8.786 5 40 KKBB CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccc(COCC(F)(F)C(F)F)c1 97945455 PALFMBMBGUPKSE-UHFFFAOYSA-N 527.500 5.021 5 40 KKBB O=C(COc1ccc2ccccc2c1)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 97983842 XXUYTCZNLKJVAE-INGOCYEQSA-N 562.582 6.858 5 40 KKBB O=C(NCCOc1ccccc1-c1ccccc1)c1cc(C(=O)NCCOc2ccccc2-c2ccccc2)cc([N+](=O)[O-])c1 98003673 XKYDNRGOKCLVJE-UHFFFAOYSA-N 601.659 6.546 5 40 KKBB C[C@H]1CC2=C(N=C3SC=C(c4cccc([N+](=O)[O-])c4)N3[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 100817569 GWLCTGUEUKEYNQ-SGMNXRSMSA-N 527.596 8.099 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2Cl)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 103053655 FDEBJVHOVDYLNL-UHFFFAOYSA-N 541.935 5.087 5 40 KKBB COc1ccccc1Oc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 103769910 ZQIHWOLHXJAWCJ-UHFFFAOYSA-N 530.377 6.451 5 40 KKBB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3)CC2)cc1 104099549 JTWOKAHCDWFWAX-UHFFFAOYSA-N 535.025 5.986 5 40 KKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105313757 XHPJAPCXFMITFB-UHFFFAOYSA-N 540.605 6.147 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(F)cc1 150394874 WUJBULGMVBLDLW-OINPTKSXSA-N 625.634 5.252 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 163740927 WXEMZTLHEMLRGS-FPWMYLJGSA-N 665.724 5.456 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222958346 VNTLULGQKXJSOF-JGCGQSQUSA-N 697.641 6.509 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224524024 DVNUIWJVTJVSGF-VWLOTQADSA-N 542.463 5.999 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)cc2)cc1 224756065 AQEHKNWULXQPQM-JSOSNVBQSA-N 594.649 7.236 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225194303 ZZAJVUORDXMTLF-GDLZYMKVSA-N 610.708 5.186 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225411473 OQKCYTNCLLFGOC-MUUNZHRXSA-N 563.626 5.210 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 226628786 ALQYNJMXOUJUNP-VVHYXOSJSA-N 671.536 8.091 5 40 KKBB COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408553622 APRJIPRLLVTVNB-QFIPXVFZSA-N 559.349 7.500 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Br)cc1 408564828 AMFXCFBLHBQJOX-XMMPIXPASA-N 666.367 7.328 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 408567140 GOZJQPLGIKPKOL-QHCPKHFHSA-N 579.893 7.234 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1C 408568227 HYJIMZNFMDPJML-RUZDIDTESA-N 622.372 7.951 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(Cl)cc3)cc2Cl)cc1 408575412 WDLRFIKFAQDQMS-QHCPKHFHSA-N 563.894 7.533 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408637603 AQPQEKGRUISSSR-UHFFFAOYSA-N 590.375 6.230 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 408638020 BLQFARKWIKRZOH-UHFFFAOYSA-N 597.967 5.312 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408641079 JNIZIQHDRLYBRH-UHFFFAOYSA-N 618.385 5.657 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Br)cc1 408683963 MOGBONYKBYFKDR-RAWLKHAVSA-N 636.458 5.490 5 40 KKBB CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccc(Br)cc1 408842426 KAOXDKILVKHSIL-DEDYPNTBSA-N 537.322 5.320 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(Oc5ccc(C(F)(F)F)cc5[N+](=O)[O-])cc4)c(=O)n32)cc1OCC 408933047 GZPXKQLZIIRINH-FVMAXLJRSA-N 669.634 5.535 5 40 KKBB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCC6)cc3[N+](=O)[O-])sc2c1 408988794 FYVLRLDTJVBFHC-HDICACEKSA-N 643.772 7.291 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)ccc1Cl 409157254 USVYJEBMKXJZBB-AFUMVMLFSA-N 610.044 6.069 5 40 KKBB Cc1cccc(C)c1N1C(=O)c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O 409178398 HHHDRNZWGFJCEM-MUUNZHRXSA-N 534.524 5.793 5 40 KKBB Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C(=O)OCc4ccccc4[N+](=O)[O-])cc2)C3=O)cc1C 409183475 SSLHHBWJLMRPRQ-UHFFFAOYSA-N 522.513 6.162 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)N1CCN(c2ccccc2)CC1 409197278 AKRAAJWXAWQHHN-HZHRSRAPSA-N 597.447 5.002 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409384979 HYACHICJIAHERB-WSDLNYQXSA-N 617.430 5.951 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 409387641 JGNPAQZOEKDTDH-UHFFFAOYSA-N 508.383 5.040 5 40 KKBB Cc1cc(C(=O)COC(=O)c2c3ccccc3cc3ccccc23)c(C)n1C[C@@H]1COc2ccccc2O1 2636617 XMBUFKVMMLQZRG-XMMPIXPASA-N 505.570 6.291 5 40 KKBB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc1 3169516 IQVNCGLZUXASFS-UHFFFAOYSA-N 554.588 5.708 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3cc4ccccc4oc3=O)ccc2C)cc1[N+](=O)[O-] 8832766 KVKQBQSCTMHDHR-UHFFFAOYSA-N 503.536 5.202 5 40 KKBB Cc1ccc(NS(=O)(=O)c2ccc(SCCOc3ccc(C(C)C)c(C)c3)c([N+](=O)[O-])c2)c(C)c1 12546623 MBXHJSBHPFUFHW-UHFFFAOYSA-N 514.669 6.615 5 40 KKBB CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 12682460 DCGXMVGQDNYEIX-VWLOTQADSA-N 513.015 6.688 5 40 KKBB Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 20295261 VEKGPQYPXDNUSS-UHFFFAOYSA-N 521.404 6.388 5 40 KKBB CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC 85589049 XXKFQTJOJZELMD-NMTSIILJSA-O 779.073 11.460 5 40 KKBB in-vitro CC(C)(C)[P@](=Nc1ccccc1[N+](=O)[O-])(Oc1ccc(Br)cc1Br)c1ccncc1 96022476 KDCGPDCPKIZWEV-SSEXGKCCSA-N 553.191 7.466 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(CCC(c3ccc(Br)cc3)=NN2c2ccccc2)S1 97951225 ZEYMCSLPTCRGRN-RUZDIDTESA-N 550.438 6.172 5 40 KKBB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)c(C)n1CCc1ccccc1 103060277 BMHMNLGKWYIZOX-UHFFFAOYSA-N 579.697 6.755 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccccc1 164526532 YISMNTBCKMEYIX-SRTOOPEESA-N 681.726 6.216 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 198311092 XVHXVCOQAGLTGE-UHFFFAOYSA-N 638.724 5.163 5 40 KKBB O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(I)cc1 205775457 QJOSLCLZZZHPKN-UDWIEESQSA-N 545.358 5.286 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)cc2)cc1 224756158 AQEHKNWULXQPQM-FIRIVFDPSA-N 594.649 7.236 5 40 KKBB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224767085 XOUBCZAUDFGDKJ-LOYHVIPDSA-N 563.708 7.417 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 224786585 FRTNYONXHMTAIH-FQLXRVMXSA-N 595.662 7.486 5 40 KKBB O=C(O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224786888 FUSVXAYKHCALRF-WDYNHAJCSA-N 594.674 7.276 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224869950 UHJBYIBGRRXMIV-NDEPHWFRSA-N 566.123 6.180 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Br 224940669 GXMVBUMRFXOGSZ-DNQXCXABSA-N 535.423 6.498 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225250160 PUKMRKAFGHXWPN-JKSUJKDBSA-N 512.459 5.467 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225753781 ATBPMZUXEJDBSS-UMSFTDKQSA-N 721.276 6.481 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261009267 TYGRZMNSPKYMLW-JOCHJYFZSA-N 645.178 5.401 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261029060 WWPOPWDVWPYBGZ-UXHICEINSA-N 700.041 6.399 5 40 KKBB CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408555695 HZBPFFHHAZHFIJ-UHFFFAOYSA-N 526.214 7.254 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408565247 BLGRHTAYMXJMQU-XMMPIXPASA-N 529.449 6.880 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 408566228 FCKUJXQQUQTCLS-QHCPKHFHSA-N 563.894 7.533 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F 408568096 HQSZTCVTOYJNNM-AREMUKBSSA-N 571.074 7.073 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 408568736 ILULABJZZKDCCF-QHCPKHFHSA-N 563.438 6.719 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408646208 TXDRETYMODATDC-QKCPIRFBSA-N 720.991 6.588 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 408651679 HCZHWDLWWDEQRU-XXSMREGWSA-N 627.436 5.732 5 40 KKBB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12 408720472 QLFBPYXHPNKIFL-KDXFCVBFSA-N 520.585 6.009 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5ccc6ccccc6c5C4=C[C@H](c4ccc5c(c4)OCO5)[C@@H]3C2=O)c([N+](=O)[O-])c1 408730435 GFJRNTKYEOJQSL-ZYXYEMSLSA-N 590.544 5.007 5 40 KKBB Cc1cc(C)cc(NC(=O)CSc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4C(=O)O)cc3s2)c1 408751102 WLHNBTZCDVBGPT-UHFFFAOYSA-N 536.591 5.503 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408823977 GDVMGTIJCWJTIW-VPHSIRQSSA-N 708.587 5.455 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl 408838992 LJNVQZKHAUPUEW-CAOOACKPSA-N 708.782 9.311 5 40 KKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)o1 408937574 GWXXPMBHRHXQEK-IYVASWNSSA-N 668.522 5.135 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409077819 FYSHKBHWRWXMQO-IPAKXIGBSA-N 694.560 5.065 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)cc1 409093733 ATGQZZUTCHJZSS-BUVRLJJBSA-N 533.562 5.248 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O 409192120 AOPBKTAZVSYRSR-ORAUUZGKSA-N 677.099 6.846 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409263397 MNJMKHMOCHNMES-SSDVNMTOSA-N 652.401 6.852 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)c1ccc(Cl)cc1 409273820 LQCGJNVTCPJFKC-KEBDBYFISA-N 503.319 6.081 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n1C 409360455 QCFGQAKYIHANKF-FQEVSTJZSA-N 565.483 5.587 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c(C)c1 409371049 AOAQPBAHFVNLHS-FSJBWODESA-N 519.579 6.072 5 40 KKBB O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20153071 BTEHVFYHHAIIBE-UHFFFAOYSA-N 514.991 5.118 5 40 KKBB C[C@@H]1C[C@@H](N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 100112871 LWLXBSZSSOASIX-KWMCUTETSA-N 605.434 7.637 5 40 KKBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 101513168 ODVUFQBIYPEETO-NLDZOOGBSA-N 579.565 5.182 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 102370366 NNMUSNAJXQOONC-RFMPLWHVSA-N 599.643 6.364 5 40 KKBB Cc1ccc(-c2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)[nH]c2-c2ccc(C)cc2)cc1 103134961 IGQMLRWNEKXQLI-UHFFFAOYSA-N 537.439 6.762 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 103546613 PSQFWVFXXVDHGV-LNHQPZRBSA-N 541.563 5.451 5 40 KKBB CCCCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 105305969 XUDQAPVACFFIPF-UHFFFAOYSA-N 557.680 5.788 5 40 KKBB O=C(NC(=S)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105311105 QTGCTHAABSHEIV-UHFFFAOYSA-N 537.985 5.489 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 106681285 JKCNZHKKWJYPCH-NHDPSOOVSA-N 556.350 6.294 5 40 KKBB CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1cc(Cl)ccc1OC 216037157 RLVFKCAGXPTMKA-UHFFFAOYSA-N 516.794 5.573 5 40 KKBB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224055581 WKDDARYJAQJGTL-MHZLTWQESA-N 659.205 5.527 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224260436 HVFYBJVWKOXWPJ-SSEXGKCCSA-N 636.771 5.282 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 225175020 JCHWLXBITAYJIK-SXOMAYOGSA-N 527.606 6.084 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225604079 ONRSZAVHZHHJNE-NDEPHWFRSA-N 649.597 5.532 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1ccccc1 408565080 BDILIGBLVSTAHV-HSZRJFAPSA-N 525.428 6.027 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1 408565522 CDXFLHUYZKKGRD-XMMPIXPASA-N 608.345 7.643 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 408571827 PQGQFKDPSUGQBF-HSZRJFAPSA-N 628.763 7.988 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 408577511 ZRKMPEAGQAJKMI-RUZDIDTESA-N 543.020 6.456 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1)c1ccc([N+](=O)[O-])cc1 408637916 NZDNDDFMUFUEQC-HSZRJFAPSA-N 536.540 5.833 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1cccs1 408644116 QRUBCMKCJOXCFW-UHFFFAOYSA-N 751.001 6.243 5 40 KKBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 408653893 QBRFIGUIZRUENV-ZVNQEMBASA-N 608.434 6.131 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccccc5Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1OC 408756811 JWNRNZJRUWNTPK-AMQCUNCASA-N 662.680 5.945 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)S2)cc1 408780254 ACQCYWSAHZSSTL-AOLPSBPOSA-N 666.335 6.703 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc(Cl)cc1Cl 408783791 MWUXQQWHZXLSRP-NMSMXSODSA-N 670.574 7.121 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 408853073 YJQYIFKWTLUMBF-WOSHRIRTSA-N 620.687 5.749 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1 408922300 DBNKMKBIKFBKMZ-DDIUQFJASA-N 622.703 5.027 5 40 KKBB CCOc1cc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408990388 XKDXMXCSRNNLKM-NDENLUEZSA-N 537.322 5.320 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2=O)=N1 409033734 PGPUCEHVGWFRPN-CRCYZHLCSA-N 686.968 6.171 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1cccc2ccccc12 409048942 UQNDQAQGSGSYJZ-ITNPZBTBSA-N 857.464 6.648 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409111251 BBBSORJSEUJKQZ-CLNXTWJPSA-N 666.785 5.115 5 40 KKBB CCOc1cc(CNc2cc(Cl)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409122010 YBQWAVAKUYPBIC-UHFFFAOYSA-N 552.796 6.751 5 40 KKBB Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2)cc1C 409183928 VGVXCELWIJWGML-NDEPHWFRSA-N 534.524 5.793 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(Br)c(Cl)c1 409206351 VCSJITSRZGVXKW-ODCIPOBUSA-N 735.716 8.259 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409221753 VAXHXEUISFGQRC-FSJBWODESA-N 630.448 6.149 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)cc3s2)c([N+](=O)[O-])c1 409335302 LNZXNWXXMXEVGP-UHFFFAOYSA-N 742.842 7.085 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 409348449 PIZAGPRRGRSFFV-NRFANRHFSA-N 579.510 6.069 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409351422 UHMPGCCCDWHMOX-JVWAILMASA-N 575.643 6.371 5 40 KKBB CCOc1cc(C(c2c(-c3ccc(C)cc3)n[nH]c2O)c2c(-c3ccc(C)cc3)n[nH]c2O)cc([N+](=O)[O-])c1O 409368589 DADPKDRGKOHFAB-UHFFFAOYSA-N 541.564 5.688 5 40 KKBB C=C(c1ccc(C(=O)Nc2ccc(C(=O)NS(=O)(=O)c3ccc(NCCSc4ccccc4)c([N+](=O)[O-])c3)cc2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 1772621715 PVBCFXWUROOQLS-UHFFFAOYSA-N 803.019 9.889 5 40 KKBB O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccc(Cl)cc1)N2)c1ccc(Cl)c([N+](=O)[O-])c1 2254262 CSPJAMSRUOFNTP-FQEVSTJZSA-N 541.782 6.455 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)/C=C/c3ccccc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 11852758 HUSZNDUUSBZNAB-MDWZMJQESA-N 538.965 5.941 5 40 KKBB CC[C@@H](Sc1nc2cc(C(=O)NCc3ccccc3)ccc2c2nc3ccccc3n12)C(=O)Nc1ccc2c(c1)OCO2 50861425 SFOPREUNBJXJJI-GDLZYMKVSA-N 589.677 6.204 5 40 KKBB C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)c(Cl)c1)CC2)C(=O)Nc1ccccc1[N+](=O)[O-] 103081584 HLBROJSPCYTYNN-WDMNMGCXSA-N 562.409 7.121 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Br)[C@H]1[C@H]([C@@H]3[C@@H]2C(Cl)(Cl)C(Cl)=C(Cl)C3(Cl)Cl)C(Cl)(Cl)C(Cl)=C(Cl)C1(Cl)Cl 150377886 ZKRPKVLLGLFBDB-JLIMGVALSA-N 773.591 10.872 5 40 KKBB COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c1 150482683 BXYAQQXUEWXXEB-JLKMOJGBSA-N 652.685 5.446 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225335341 LBLUPCZDFJPITJ-NRFANRHFSA-N 512.459 5.468 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260986122 BUPPOYLVNTVFDW-GOXGLGGOSA-N 646.741 5.484 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 408570942 MKUKHPSOOSUHKK-MUUNZHRXSA-N 548.665 6.371 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Br)cc1 408575581 WPCFCXPWKDCNTM-DEOSSOPVSA-N 555.454 6.036 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)CCCCCN2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408645677 AIMXXGVCXYCVFE-ZHKRYAAZSA-N 608.478 5.696 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)c(C)c2)CC1=O 408672027 UWYOZCDNFQTXRF-DLAWPSHISA-N 643.652 5.267 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408681720 ILAMDFJMFMVESS-QKCPIRFBSA-N 697.098 5.190 5 40 KKBB COc1ccc([C@@H]2C=C3c4c(ccc5ccccc45)OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]23)cc1 408732249 PYZJUSTVFVXUJI-MHTDFPPDSA-N 580.980 5.932 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735898 ZBRMMMOLTGHRDQ-FUFNRSNVSA-N 682.549 5.526 5 40 KKBB O=c1/c(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408840796 GABDCZLGGLYIKF-ZMTYCLHQSA-N 763.895 7.984 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 408983660 GXVSFRBZFKQSDX-PLNPHXOGSA-N 726.605 6.194 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409093419 ZZOYNICDPGTKIO-PIXWUVMMSA-N 743.430 5.819 5 40 KKBB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409111103 AHXKCMFNOVPMLR-UUYOSTAYSA-N 537.410 6.488 5 40 KKBB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409123742 HTAKJJQONUXYMI-DEOSSOPVSA-N 532.626 5.217 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(Br)c(Cl)c1 409197496 HBFNBACBVQLHKM-DJKKODMXSA-N 597.230 6.599 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 409260108 KXDBVALQGQDSGP-FSJBWODESA-N 601.406 6.003 5 40 KKBB O=C(Oc1ccc2c(=O)c(-c3cccc4ccccc34)c(C(F)(F)F)oc2c1)c1ccc([N+](=O)[O-])cc1Cl 1748219 VCKWCHXHEUQTEH-UHFFFAOYSA-N 539.849 7.413 5 40 KKBB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccccc1)C(C)(C)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1901174 VKBXXYLUMBLYAW-GNVQSUKOSA-N 552.077 7.565 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 2323617 XITAVGKAOQLUOQ-UHFFFAOYSA-N 509.569 6.433 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)c1c(ncn3nc(-c4ccc([N+](=O)[O-])cc4)nc13)O2 22824314 LWWMUAIMIWBGCH-QHCPKHFHSA-N 501.506 5.480 5 40 KKBB O=C(Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1)c1ccccc1C(=O)N1CCCC1 59446814 XJJCDCYYNLYKRP-UHFFFAOYSA-N 518.620 5.985 5 40 KKBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccc([N+](=O)[O-])cc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 97954697 WHORAWYKUZATPJ-KCHLEUMXSA-N 549.539 5.174 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(F)cc1)[C@]21C(=O)Nc2ccccc21 101672564 DPAPWPGRWVQXGD-WFPUBZAHSA-N 573.580 5.980 5 40 KKBB O=C1NC(=O)/C(=C/c2c(Br)cc(OCc3ccc([N+](=O)[O-])cc3)cc2Br)S1 103588835 BXLNPBGUFCXCNN-CHHVJCJISA-N 514.151 5.023 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2s1)c1ccc([N+](=O)[O-])cc1 103765555 MYVYACXJOSCERF-UHFFFAOYSA-N 525.567 6.133 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@@H]2C1=O 103933835 OUSQTBGMORHWRY-KQFVITFDSA-N 585.616 5.626 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305876 ONZGNMUXJUGIKO-UHFFFAOYSA-N 570.458 6.827 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 111461325 MMAZFWMGCAKSQO-SUAMDDGLSA-N 624.071 5.027 5 40 KKBB CCCCCOc1cc2c3cc(OCCCCC)c(OCCCCC)cc3c3cc(OCCCCC)c(OCCCCC)cc3c2cc1OCCCCC 150339597 LWHHLYFBQPYIFI-UHFFFAOYSA-N 745.098 14.560 5 40 KKBB O=C(CSc1ccccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(OC(F)(F)F)cc1 215716561 IFQUQKSJJXKROA-UHFFFAOYSA-N 534.468 5.264 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222794042 WEMQICLFLQDOJV-HHHXNRCGSA-N 598.563 6.003 5 40 KKBB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 223442186 VXFJWXLRQHCUBC-CLJLJLNGSA-N 516.579 5.440 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223457630 QMULVACHXRARNS-AREMUKBSSA-N 635.570 5.819 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)C1 224150277 MGMKJOBUQKZAJZ-CIGLBZRHSA-N 588.133 7.563 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225583071 NTYKSRJVWGXQLG-RRPNLBNLSA-N 527.606 5.560 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1)Nc1cccc2ccccc12 225710923 XJQRAUCDRLLZQW-IHLOFXLRSA-N 562.655 5.935 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 260881586 OCABBNMXIWTGES-HHHXNRCGSA-N 635.570 5.141 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1cccc2ccccc12 408575004 VJFHMIXNNBUKOB-PMERELPUSA-N 554.672 7.125 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 408577763 ZUFVFWHLFHQWNG-XMMPIXPASA-N 529.449 6.880 5 40 KKBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]12 408642442 DVWIFYULOBDHRX-KTERKQDUSA-N 573.989 5.478 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1 408665774 ZJYDVMWINJWFSH-TYBYDDOHSA-N 667.630 5.539 5 40 KKBB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 408736594 DGZRROJXOPRDQP-VWLOTQADSA-N 514.607 5.630 5 40 KKBB Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)c1 408837904 AOXUKZNXGODDGN-YBFXNURJSA-N 597.830 7.098 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408994547 HYUREVBRLUNBNR-HGGMLFSRSA-N 608.763 7.365 5 40 KKBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 409067328 CNUYBFRABWYPDK-DTQASYIRSA-N 511.339 5.078 5 40 KKBB CCOc1cc(C=C(C(=O)OC)C(=O)OC)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409089455 MLIHVQIORNAASG-UHFFFAOYSA-N 595.264 5.139 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccc(OC3CSC3)c2)N1Cc1ccccc1 409135014 PFFWANDEOOTTDH-SSEXGKCCSA-N 537.641 6.450 5 40 KKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1cccc(Br)c1 409163533 SWQBTLGLMNMMAX-LPYMAVHISA-N 525.380 6.173 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)o2)cc1[N+](=O)[O-] 409199581 HTKHXJLPHSCUOT-KEBDBYFISA-N 576.812 6.254 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409270625 HTHISXVNXPZCAQ-VMCUCKNMSA-N 635.790 6.142 5 40 KKBB COc1cc(C(c2c(-c3ccc(C)cc3)n[nH]c2O)c2c(-c3ccc(C)cc3)n[nH]c2O)c([N+](=O)[O-])cc1OC 409369460 OHSIIPYTJSMNRW-UHFFFAOYSA-N 541.564 5.600 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3cccc4ccccc34)C2=O)o1 409403122 YUGAEPBVLQTQGR-UUYOSTAYSA-N 561.934 5.453 5 40 KKBB COc1cc(NC(=O)c2cc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)n3n2)cc([N+](=O)[O-])c1 845221 VPRDTRBNADXSJY-UHFFFAOYSA-N 536.264 5.347 5 40 KKBB CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)C(CCC(=O)OC)=C4C)c(C)c3CC 4683165 LUUYUVIPWOKSNM-UHFFFAOYSA-N 594.756 7.824 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1F 9232984 SQXIOBDSMPYFOY-ZVHZXABRSA-N 508.527 5.948 5 40 KKBB CCCC(=O)N(c1ccc2oc(-c3ccccc3)c(C(=O)OCC)c2c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 11852775 DUWFDMWNSVYJNM-UHFFFAOYSA-N 536.562 5.707 5 40 KKBB CC(C)c1ccc2oc(-c3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3Cl)nc2c1 22845459 VYALDLFDXUYTKM-UHFFFAOYSA-N 520.973 6.269 5 40 KKBB O=c1c(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCC2)cc2cccc3c2n1CCC3 95476957 NAEMJCOYWAQTRJ-UHFFFAOYSA-N 506.562 6.175 5 40 KKBB C[N+](C)(CCCNC(=O)c1ccc(C(=O)NCCC[N+](C)(C)Cc2ccccc2Cl)cc1)Cc1ccccc1Cl 97965948 MZPUAPRMAVFWNP-UHFFFAOYSA-P 585.620 5.786 5 40 KKBB CCn1c2ccccc2c2cc([P@](/C=C3/N(C)c4ccccc4C3(C)C)(=NC(=O)c3ccc([N+](=O)[O-])cc3)N3CCOCC3)ccc21 97984626 JSWDPUZYEKFLDI-YBNYYNFXSA-N 647.716 7.906 5 40 KKBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)NC(c1ccccc1)c1ccccc1 102280196 AXFHALUFXGPELN-UHFFFAOYSA-N 570.454 6.003 5 40 KKBB C[C@H](OC(=O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 102992198 JCJSKWMQTNPPQX-ZDUSSCGKSA-N 612.809 6.693 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 103789778 YSECVLHJUTZBHV-SUAMDDGLSA-N 592.073 5.743 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 105312520 SGLIATLGQZWAIY-KRWDZBQOSA-N 540.601 7.303 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccc(Cl)cc1Cl 214392713 PJCRNFQPXJYRES-DJKKODMXSA-N 554.205 7.161 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]2[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)c3sc(=O)[nH]c3S[C@@H]12 245242059 YDFNPRCPBPZTAW-PDKYLHCFSA-N 573.574 5.041 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl 408564790 AGTKFJJXYMCTPD-HXUWFJFHSA-N 564.263 7.624 5 40 KKBB Cc1ccc(COc2ccc(Br)cc2[C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1 408575908 WZUJJECHZWHAPT-DEOSSOPVSA-N 539.455 6.336 5 40 KKBB O=C(O)/C(=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)Sc1nc2ccccc2o1 408635358 ZVGGTKVWMHQEGL-BRPDVVIDSA-N 559.603 8.079 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)c(C)c2)CC1=O 408650346 AXDQSTLUVWNNMF-LBPRGKRZSA-N 831.062 6.721 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 408821390 GXZXHKNEHVGCSP-DDIUQFJASA-N 620.687 5.668 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 408822979 DISIEOUYNCXXGZ-NQUBGTRZSA-N 690.778 5.995 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408830758 SSAUWWDWNPSACZ-KUSDHMTMSA-N 637.739 6.134 5 40 KKBB Cc1cccc(COc2c(Br)cc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2Br)c1 408919665 ZXVYCEPKFZZDAS-WSDLNYQXSA-N 618.303 7.244 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408928966 NIOMTTPSKNNPOM-AFUMVMLFSA-N 547.589 5.474 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409032021 HVWWFBSCFNQDDK-RIFKOAFWSA-N 673.744 5.090 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409032857 KEJBQJBRBNCANS-FQKMCRJQSA-N 709.531 5.568 5 40 KKBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccc(C)cc3)=C2c2ccc(C)cc2)cc1[N+](=O)[O-] 409058767 SWLHAPHNWGIULJ-UVWMXZOESA-N 688.736 7.326 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409160475 YRNJLEJFBKGEHN-FSJBWODESA-N 623.403 7.804 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C 409205373 BVFSWGDABROJSS-FBHDLOMBSA-N 590.839 6.563 5 40 KKBB O=C(COC(=O)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 1883400 ROHQTTBNURMZLZ-UHFFFAOYSA-N 587.975 7.824 5 40 KKBB CCc1nc2c(c(=O)n1CCCOC)c1nc3ccccc3nc1n2-c1ccc2c(c1)c1ccccc1n2CC 2193344 VJRAZEDYUFUSLM-UHFFFAOYSA-N 530.632 6.010 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3c(C)cc(C)cc3C)cc12 3244656 XIYTXTBYKMBABC-UHFFFAOYSA-N 520.563 5.813 5 40 KKBB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c3)nn12 10010315 LAHATAOLOUZYOG-UHFFFAOYSA-N 504.528 5.153 5 40 KKBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(F)(F)F)c1 20452009 RJJZVGTVKZROBE-UHFFFAOYSA-N 513.881 5.101 5 40 KKBB CCOC(=O)c1ccc(NC(=O)CSc2nc3ccc(Br)cc3c3nc4ccccc4n23)cc1 50861802 SOAPLMKIHGCOCX-UHFFFAOYSA-N 535.423 5.706 5 40 KKBB COc1ccc(Oc2ccc([C@@H]3NC[C@@H](c4ccccc4Cl)c4c3[nH]c3ccccc43)cc2[N+](=O)[O-])cc1 53356848 JZRNXBOFRKPUDV-IADCTJSHSA-N 525.992 7.355 5 40 KKBB COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(-c5ccccc5)nc5ccccc45)nc3c2)cc1[N+](=O)[O-] 59211843 CVSZPUYVMVWYKP-UHFFFAOYSA-N 575.606 6.754 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N[C@@H](CC(C)C)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 60028254 KEIYUXWRTYRVHG-QHCPKHFHSA-N 560.072 5.664 5 40 KKBB O=C(Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3Cl)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 97966070 QVXSIDVDOWXHTJ-UHFFFAOYSA-N 713.490 7.819 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 100340148 PEEYOFSLWHIBNJ-WSDLNYQXSA-N 559.825 6.826 5 40 KKBB O=C(Nc1ccc(-c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 100528124 NGFXMSZHOSKWAT-UHFFFAOYSA-N 551.342 6.981 5 40 KKBB CCOc1cc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 101671161 GRKVKYDAHGSZLD-KLJDGLGGSA-N 604.413 5.666 5 40 KKBB O=C(c1ccccc1Cl)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 102464845 QQYONQKGNGBWLB-HHHXNRCGSA-N 583.431 7.402 5 40 KKBB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 103001087 UNKSAGPEBHKCFB-SFHVURJKSA-N 606.491 8.061 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305755 BUGWFWHSXMENTA-UHFFFAOYSA-N 570.458 6.827 5 40 KKBB O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105320330 XWAGLWQDVFPJHK-UHFFFAOYSA-N 523.343 5.254 5 40 KKBB COc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 105990274 LOXKQPFLISBJHP-RMTZWNOUSA-N 590.386 5.276 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 163229462 XKFXSIZZPGQBCT-WKIZKNSPSA-N 694.607 6.967 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 223007747 AELZGUMDFYHKCH-UMSFTDKQSA-N 737.275 6.181 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223974418 TUUDPDNFZQTYEN-OOOSNSGVSA-N 658.777 5.354 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224346791 ABCIEXYWRIJZMM-XIFFEERXSA-N 676.767 5.413 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225012392 LYSPRZGXRGQWHH-MUUNZHRXSA-N 610.574 6.289 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225583094 NTYKSRJVWGXQLG-KAYWLYCHSA-N 527.606 5.560 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 408565118 BFMNSMKAYZEWOQ-VWLOTQADSA-N 633.952 7.088 5 40 KKBB CCOc1cc(CNc2ccc(Br)cc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408610233 OLMZJSKSPKWUDN-UHFFFAOYSA-N 525.321 7.488 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)O)n[nH]1 408631170 FQZNZNMFVQUZQF-UUYOSTAYSA-N 538.969 5.839 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408659830 PQDRAZUDMPZTQY-QXUFZFKLSA-N 599.426 6.049 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1ccccc1 408809100 HWPFGCMFJCJWJT-BKUYFWCQSA-N 558.353 6.019 5 40 KKBB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409016201 STJVDCDDPJLCSS-OTGIAGGSSA-N 521.389 5.780 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409043695 ZCHFUJSBBXVNRS-CVXNTFFOSA-N 830.610 5.816 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)ccc1Cl 409159791 USBGDISTHBTCPW-DHRITJCHSA-N 626.043 5.688 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1Cl 409260294 OELVOXYJBGEVPR-LSHDLFTRSA-N 607.950 6.743 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 409410973 BPJHZMXOPGSWPO-UHFFFAOYSA-N 517.563 5.530 5 40 KKBB c1ccc2c(c1)[C@@H]1C[C@@H]2[C@@]23c4c5c6c7c8c9c(c%10c%11c2c2c%12c4c4c%13c5c5c7c7c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c%25c%15c(c%15c9c%10c9c(c%24c%10c%22c(c2c%11c%109)c%21c%12c4c%20c%18c%13c5c%17%14)c%25%15)c87)[C@@]%162[C@@H]4C[C@H](c5ccccc54)[C@@]%23%192)[C@]613 504656696 HQCAMIYWHBVPQE-UCIUGZNPSA-N 952.986 19.427 5 40 KKBB in-vitro O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1 3100670 KGTSRBAHJQWTLH-UHFFFAOYSA-N 539.529 6.284 5 40 KKBB O=C(Nc1ccc(-c2nc3c(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3[nH]2)cc1Cl)c1ccc([N+](=O)[O-])cc1 6445464 UUQAKYHVMBGATG-UHFFFAOYSA-N 591.367 6.858 5 40 KKBB O=C(C[S@](=O)c1ccc(SC(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(SC(F)(F)F)c1 8741815 XDLLNEFNTYUJEN-WJOKGBTCSA-N 504.455 5.565 5 40 KKBB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)oc2c1 8835290 LILSDUGVQJNLKK-UHFFFAOYSA-N 501.568 5.438 5 40 KKBB Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)c1 97954462 KEIOUNZRSOINTR-FCEKVYKBSA-N 549.539 5.174 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 100305281 BDEYEQBGBLWNON-UNDLXJOSSA-N 532.665 5.838 5 40 KKBB Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c1)C2=O 101441625 ZLBZBDLBTANSSJ-PMERELPUSA-N 571.545 6.033 5 40 KKBB C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)C(=O)Nc1ccc(Cl)cn1 103083562 VCTSRFVZZKTPQD-WFVLPUPGSA-N 542.979 6.252 5 40 KKBB Cc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 103537187 LFXOAIZPQLAAIT-NIKYWZLZSA-N 555.590 5.885 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(Br)cc3)C3=C(N=4)c4ccccc4CC3)o2)cc1[N+](=O)[O-] 163212302 VJVJSIQVQHXDHY-ITNPZBTBSA-N 624.516 6.558 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(Cl)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1OC 163268137 QFXKQGPIRHQPFB-SELCLYCASA-N 626.090 6.158 5 40 KKBB COCCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 222050789 GRJFAINEHRGPED-VLYKXWEESA-N 514.619 5.023 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225349385 ALHGHXKIYRLLFC-RUZDIDTESA-N 700.041 6.401 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 225653492 MKZREDVTFCCNRT-SXOMAYOGSA-N 526.622 5.090 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)[C@@H]1CCCN12 408567225 QJXNRKJILOFDGJ-UQBYDPJISA-N 603.300 6.389 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1C 408571515 OUIWSNHTCBKSLR-DEOSSOPVSA-N 561.466 7.328 5 40 KKBB O=c1/c(=C/c2cc(Br)cc([N+](=O)[O-])c2O)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408756104 HKLXAPWCGNNTHL-IZBTWGKQSA-N 639.325 5.458 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408770087 SOMISEKMNYEMFN-AUTFUCJRSA-N 688.940 5.400 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408846061 IIBBALQRUPOESN-WOSHRIRTSA-N 562.691 5.892 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408920703 KPNQZWBCTPJWLI-JHUDVDCUSA-N 731.625 5.798 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408936295 HOLWNSPARSKTAU-YVBHXKDBSA-N 727.033 6.489 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]23)cc1 408973428 AUDUQTPCFRXWJI-IEROYTCOSA-N 644.727 7.709 5 40 KKBB COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(c4ccc([N+](=O)[O-])cc4)N32)cc(OC)c1OC 408993937 XPAFCLZSHFBKLC-SANMLTNESA-N 558.616 5.991 5 40 KKBB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409016198 STJVDCDDPJLCSS-MDBUFAAASA-N 521.389 5.780 5 40 KKBB CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)N(C)C1=S 409037377 NHWDXFXYNMLNHH-YVLHZVERSA-N 555.248 5.119 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409105067 GAADFIHBGHAVOH-SRZZPIQSSA-N 528.348 5.977 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)c1 409152645 KTBRREICSPVPFP-SSDVNMTOSA-N 566.573 5.692 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409251769 WAYKXYYNYLIPBL-ZVHZXABRSA-N 623.460 5.429 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409273380 QIHPNGFFDKMSOW-GOQPZEPVSA-N 654.789 5.885 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c(C)c1 409374400 OOZJFQCFTRDYOJ-MTJSOVHGSA-N 518.551 5.382 5 40 KKBB COc1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c([N+](=O)[O-])c1 6164083 YMFYLOWYYBCFMR-CYBMUJFWSA-N 607.230 5.410 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)ccc1Sc1nc2ccccc2s1 8384872 QWMDPFRMIZNIMF-UHFFFAOYSA-N 638.755 7.858 5 40 KKBB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1[N+](=O)[O-] 59651328 FZHPXTOUGUUOLF-UHFFFAOYSA-N 549.936 5.177 5 40 KKBB COc1cc(OC)c(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1OC 79192829 QKTWCHLCADUUOB-UHFFFAOYSA-N 517.582 6.308 5 40 KKBB biogenic C[C@@H](CCN(C)CC[C@@H](C)c1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1 98048274 XOEYANGOTQNOTN-BJKOFHAPSA-N 562.736 6.216 5 40 KKBB C[C@H](OC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 103083954 CLYJPFVBNIGUAG-LBPRGKRZSA-N 516.362 6.362 5 40 KKBB Cn1c(Sc2ccc([C@@H](Nc3ccccn3)n3nnc4ccccc43)cc2[N+](=O)[O-])nnc1-c1ccccc1 103763816 GTUNMRJAEAXUDC-VWLOTQADSA-N 535.593 5.340 5 40 KKBB Cc1cc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C 103790738 LGIIUPUVDIILQP-KEPJHFNWSA-N 565.676 6.165 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCCOc1ccc(C)cc1 106739641 UNHILLJMGPBCQL-ONUIUJJFSA-N 534.590 5.996 5 40 KKBB O=c1/c(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 163306852 UHNOJLOCRCCVLD-GSTVVXAASA-N 650.554 6.568 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224346749 MVGDGIJXTRWTBY-MHZLTWQESA-N 691.634 6.280 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)o1 224913531 XJMYCDIRZPXPPP-RPBOFIJWSA-N 504.543 5.883 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc23)o1 225714435 BKMAYNHSYQOSME-JSOSNVBQSA-N 593.665 6.413 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 230018527 BTNNBBAJKPBJBU-CKPORNQBSA-N 541.563 5.577 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1ccccc1 408565082 BDILIGBLVSTAHV-QHCPKHFHSA-N 525.428 6.027 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)cc1 408571397 OPRWHARYHRVJTA-XMMPIXPASA-N 539.455 6.336 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)O)n[nH]1 408632526 QXHOGERUAJTQMG-GRSHGNNSSA-N 533.349 6.173 5 40 KKBB CCn1c(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633438 MYAIAPMNLNXWJQ-HYARGMPZSA-N 573.483 7.549 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408686231 QZZHDVNCPHVJNL-HCXPYDJZSA-N 547.542 5.184 5 40 KKBB O=C1[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 408917961 DELZLAOSQSNHAW-YQORSWRPSA-N 509.743 5.151 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408991105 MTESFOHYVZCFFN-VCLSCOGJSA-N 817.556 8.071 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409171630 BKKNJWQTLIRWRY-HKOYGPOVSA-N 533.993 6.228 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1/N=C(c2ccc3c(c2)OCO3)OC1=O 409189721 RYEJITKGEBEJOB-PBVZTHECSA-N 563.316 5.049 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409204855 KNQBZOAMNANAMH-JVWAILMASA-N 672.638 6.316 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)ccc1Cl 409270277 OPDFEQDQKHZNCF-BUVRLJJBSA-N 597.049 5.730 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 3319276 DVJMKHZBTKHYHE-INIZCTEOSA-N 550.662 5.752 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc4c(c3)OCO4)CCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2 97983838 VXGNXCVRIIXHSM-WFZRYHFFSA-N 610.623 5.326 5 40 KKBB O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 97984284 WCWIJPQJVBGTJF-ZDMAWHQDSA-N 530.512 5.844 5 40 KKBB CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O[C@H](C)c1cc(OC)c(OC)cc1[N+](=O)[O-] 98043899 LIKGQASPYMHUMB-BUEDCBANSA-N 513.675 8.362 5 40 KKBB Cc1nc2cc(C(=O)OCC(=O)Nc3c(Br)cc([N+](=O)[O-])cc3Br)ccc2n1-c1ccccc1 103137596 FKYVQKYISRFJCK-UHFFFAOYSA-N 588.212 5.563 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 103541768 GKACDUHCMJDVPI-JUQCDRLLSA-N 571.589 5.460 5 40 KKBB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3O)nc2c1 105311070 CMHQLOSYLGRXJK-UHFFFAOYSA-N 528.546 6.058 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 150343405 DCWVYNINOMSNGW-PZZXBQDJSA-N 681.542 7.546 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 150365498 SEXAKKNDQXAJDL-YSSMVSIISA-N 676.725 7.109 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2C2CCCCC2)sc2c1CCCC2 150483654 CDKPSYZUUKGLDH-UHFFFAOYSA-N 640.788 5.778 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223731589 DKXPZBKYRBKOHJ-UVMFRMCBSA-N 690.794 5.801 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223735095 LFKZJMXJDVJYMI-INJOXJOKSA-N 725.239 6.454 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224457524 JFIGTIOOGANHSD-VWLOTQADSA-N 528.436 5.610 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3C3CCCCC3)cc2)cc1 224780510 NYSLWRMDGUCEIA-FQLXRVMXSA-N 555.729 7.625 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224825938 ZHAVCYBBYWLOQX-YTTGMZPUSA-N 628.751 5.263 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl 224967676 GXVBNHROKUKZJR-RPWUZVMVSA-N 505.987 5.620 5 40 KKBB Cc1noc(/C=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1[N+](=O)[O-] 408542580 KGEDNVVONZSUBR-DJWKRKHSSA-N 563.029 7.472 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1C 408571092 NLJBWNXBFCBXAN-VWLOTQADSA-N 519.583 5.790 5 40 KKBB CCOc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OCc1ccccc1 408625790 YDDZYSCVOQJZLR-UHFFFAOYSA-N 532.334 5.738 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408646988 JEAUJLIMKIUXTD-QYVRTBTHSA-N 626.452 6.034 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688329 VZTSWAUWUJBEAB-HCXPYDJZSA-N 608.994 5.606 5 40 KKBB Cc1ccc(C(=O)CSc2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C(=O)O)cc3s2)cc1 408750892 TUUMFGFJQUPMLM-UHFFFAOYSA-N 507.549 5.438 5 40 KKBB Cc1cc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(C(=O)O)cc2)C3=O)ccc1Br 408757659 OLFQVHMCMHPLMC-UHFFFAOYSA-N 531.318 5.985 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 408805279 FSOPSFGAEAPVDW-PLNPHXOGSA-N 665.699 5.571 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408834473 VBQWRNQVUFRJDL-LCQSEVKBSA-N 695.535 5.199 5 40 KKBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2)c1 408920634 KYDIUDAHYIJUCQ-ZXVVBBHZSA-N 527.602 6.192 5 40 KKBB CC(=O)Nc1ccc(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c34)C2=O)cc1 408999640 RQGKKXAULWFBPQ-UHFFFAOYSA-N 573.403 6.630 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc(C)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409047775 PKXWROMDZQYJDA-JJUMQRNRSA-N 522.557 5.344 5 40 KKBB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409087060 AFWQCDBYOFQHIG-BKUYFWCQSA-N 609.340 6.431 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409097771 HGCWEVSPUKAXCS-SELCLYCASA-N 721.630 5.371 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c(C)c1 409181535 CUKQWUIXHDERTB-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1309048 SDKSADDGBSIUPT-MUUNZHRXSA-N 517.969 5.366 5 40 KKBB COc1ccc(CSc2nnc3c4c5c(sc4n4c(SCc6ccc(OC)cc6)nnc4n23)CCC5)cc1 1844288 IOBFDBUYXIRJPI-UHFFFAOYSA-N 560.730 6.077 5 40 KKBB Cc1ccc(C(C)C)c(Oc2cc(NC(=O)c3cnn4c3N[C@@H](c3cccs3)C[C@@H]4C(F)(F)F)cc([N+](=O)[O-])c2)c1 2754870 ULWAOZOHXJLMQM-RCZVLFRGSA-N 585.608 7.990 5 40 KKBB Cc1ccccc1Oc1cc(NC(=O)c2nc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)cc([N+](=O)[O-])c1 3139674 METHYELVPBZCRT-UHFFFAOYSA-N 534.454 6.071 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@@H](c1cccc(Cl)c1Cl)N1C(=N2)C(O)=Nc2ccccc21 3309921 JIFLZHJMCSNVKJ-JOCHJYFZSA-N 519.348 6.637 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)SC(c1ccccc1)(c1ccccc1)c1ccccc12 8407539 VIWSIZIZEWGACL-LJAQVGFWSA-N 523.639 6.900 5 40 KKBB O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 8590643 BYRHWJUDBRJLLC-UHFFFAOYSA-N 513.337 5.799 5 40 KKBB CCn1c2ccccc2c2cc([P@@](=Nc3ccc([N+](=O)[O-])cc3)(Oc3ccccc3)C(C)(C)C)ccc21 12524612 XFPKMEBGZYEZBL-DIPNUNPCSA-N 511.562 8.673 5 40 KKBB CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(C(C)(C)CC)c1 12589580 XZXRHCGCYOUJSW-UHFFFAOYSA-N 519.480 7.530 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 14278465 UMASFZYIOMVPIG-UHFFFAOYSA-N 514.586 5.069 5 40 KKBB C[C@H]1CC[C@@]2(OC1)O[C@H]1[C@H]3C=C[C@H]4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@H]1[C@H]2C 34257517 ULNDHEVVJSRKCY-UZZKXVLVSA-N 509.643 6.317 5 40 KKBB CCCOc1ccc(C(=O)[C@@H](CC[C@@H](C[N+]2(C)CCCCCC2)C(=O)c2ccc(OCCC)cc2)C[N+]2(C)CCCCCC2)cc1 95856897 XMHLZAHIUHUCOP-ZPGRZCPFSA-N 634.946 8.384 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F 97999674 UJVLNYRBWUCZLT-DNQXCXABSA-N 615.971 7.777 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=S)NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1 100060139 ZEDMSLHRRKDMOV-FMIVXFBMSA-N 573.030 7.460 5 40 KKBB O=C(Oc1ccccc1)Oc1ccc(N(C(=O)Oc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Br 102615651 VONRNOLKEJMMES-UHFFFAOYSA-N 613.398 6.329 5 40 KKBB Cc1ccc([C@@H]2C3=C(O)C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 102927488 PTPKKFCTHJXSIY-ZOYWYXQUSA-N 529.596 7.767 5 40 KKBB COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])c(N4CCOCC4)c([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)cc2)cc1 102928672 OZJVAOCOQMONBF-MZPOKMKLSA-N 627.654 5.794 5 40 KKBB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 103111116 XGZHWJFUHNIJCE-NDEPHWFRSA-N 598.011 6.023 5 40 KKBB CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103332736 XNSAOEIVFPMTFN-XCKVCADESA-N 583.644 6.403 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1F 105251030 IPRBXWGWANJBGJ-UHFFFAOYSA-N 552.828 6.329 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150395634 YWCPYEMIIVNICE-WGJPBTIMSA-N 667.696 5.130 5 40 KKBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 222992995 CUQMXBNVMXZSMW-MUUNZHRXSA-N 549.693 5.249 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223368185 AWNQUNRZVMAAGG-SANMLTNESA-N 601.125 5.166 5 40 KKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)o1 223949420 PVRBZTGMIVAMCG-KAYWLYCHSA-N 527.606 5.264 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224831605 PUFYAVBFDNMKQX-UMSFTDKQSA-N 672.804 5.580 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224902976 YXUNOIOJNZQPSF-DHUJRADRSA-N 719.260 6.459 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225328529 WWPOPWDVWPYBGZ-VQTJNVASSA-N 700.041 6.399 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225701215 MILFXVQFMBDGIB-NFQMXDRXSA-N 635.570 5.819 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260984771 BPLSYKQOCUVPSZ-SFRLIIPVSA-N 751.700 6.424 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1ccccc1 408571167 NYYFNLPLKPMOEK-HSZRJFAPSA-N 559.873 6.681 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408611425 SCCNARFEOWDEIJ-UHFFFAOYSA-N 566.264 5.429 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)O)o2)c1 408634689 WMWVNKCVCQBPND-JAIQZWGSSA-N 529.914 5.793 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408642900 OFYKEKLVTUPHMT-WTTUQDLTSA-N 660.466 5.414 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408663982 YMAFFFYQBHGKPW-UDPYREPESA-N 571.589 5.036 5 40 KKBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1 408676738 BHOMPRZWMFMFNV-UHFFFAOYSA-N 774.998 6.190 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1 409100490 OBCYMDBCBZBUMI-CIAFOILYSA-N 527.942 5.582 5 40 KKBB COc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 409119577 QDKOVYIQTWWURP-DHUJRADRSA-N 733.446 9.613 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1cccc2ccccc12 409162330 UFPIPAIRTWTSTP-OGMUYLFESA-N 605.672 5.439 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409191628 JQRNJCJAQQSLRI-FUZBLHKMSA-N 794.359 7.257 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)Nc1cccc(F)c1 409243358 YANAXGQDDIQOBU-UFFVCSGVSA-N 759.291 6.197 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2246737 WZPVMDOEVPWSTK-UHFFFAOYSA-N 500.389 6.006 5 40 KKBB Nc1c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc2n1-c1ccc(Cl)c([N+](=O)[O-])c1 2254003 XVMLUIMWKZSLAF-UHFFFAOYSA-N 507.337 5.301 5 40 KKBB O=C(c1ccccc1)[C@H]1[C@H]2C(c3ccc4ccccc4n3)=Cc3ccccc3N2[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 4048146 NYXWOKXMYHHPEP-SAVOZKLWSA-N 599.690 8.910 5 40 KKBB C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccc([N+](=O)[O-])cc45)cc3[N+](=O)[O-])cc2)cc1 4773611 WCAXYNQWNUORFD-UHFFFAOYSA-P 551.563 5.045 5 40 KKBB C[C@@H](Nc1cc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 9720327 FVHKPAJQDJBJHU-XKNFUDGMSA-N 514.670 5.974 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 22845454 BJRFGQUUKSHWGB-UHFFFAOYSA-N 520.973 6.269 5 40 KKBB O=C(Nc1ccc(Oc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)cc1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 97997094 LHYUVXDTXXHTBN-UHFFFAOYSA-N 612.524 7.555 5 40 KKBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C1SC=C(c2ccccc2)S1 100544980 FGKYPYQBKXEZKA-UHFFFAOYSA-N 522.476 6.495 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)c1 103791093 NIEOGAJKXURJTD-ZPMAPHDVSA-N 601.684 5.815 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(-c4ccccc4)n3C)cc2s1 103881242 IDDJISOKABNOCH-UHFFFAOYSA-N 578.701 6.032 5 40 KKBB COc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 104118950 CHZRWCNJNSGYPL-FVYOSNSJSA-N 571.589 5.585 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3c(Cl)cc(Cl)cc3-c3nc4ccccc4s3)cc2[N+](=O)[O-])CC1 105355382 CDBQQCUOKOKBKD-UHFFFAOYSA-N 541.460 7.667 5 40 KKBB COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)c(Oc2cc(C[C@H]3c4cc(OC)c(OC)cc4CC[N+]3(C)C)ccc2OC)cc1OC 150388071 XCLBDNOYLJKGLS-HEVIKAOCSA-N 728.927 7.372 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 150456356 RSLRBGFJYGEEQA-KSEXSDGBSA-N 638.323 7.878 5 40 KKBB O=c1/c(=C/c2ccc(Sc3nc4ccccc4s3)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 163771148 IBVXGHPAVDPICY-FQWZWQHVSA-N 620.737 6.581 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 197825706 FOLVUGKKYMZQHB-UHFFFAOYSA-N 635.507 5.536 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224206995 WRXORGKFSUKCRO-UMSFTDKQSA-N 686.831 5.970 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224373041 WSVQGPBFDKJLDM-RUZDIDTESA-N 538.442 5.066 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224778337 ZHUJMPYIUKZPNU-UMSFTDKQSA-N 672.804 5.580 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224789857 ZIVCEEJPYCEOLN-XZWHSSHBSA-N 625.688 7.495 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 224975659 ZJKZDUSKNUSGGS-RPWUZVMVSA-N 506.971 6.089 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)o1 225538612 IQAAAJZTOOBRNQ-KAYWLYCHSA-N 543.605 5.260 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)c1 408576069 XHHBIMPDNXDLDK-MUUNZHRXSA-N 589.515 7.489 5 40 KKBB COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1 408621613 OVEFZKNGZGLMLN-UHFFFAOYSA-N 518.307 5.348 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)C(=O)O)n[nH]2)c1 408631284 DAGMXQHASORJCW-ZBKNUEDVSA-N 563.375 6.182 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408650650 MOOQCNUBEKRINW-AGTZKDDFSA-N 626.452 6.034 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)CC3=O)cc2)c1 408656175 IONXWTUYXYXXSD-FQEVSTJZSA-N 531.565 5.354 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1 408669231 XCGGGFACMVJFKZ-NVFZYCOYSA-N 627.436 5.732 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408676255 APUXPYINERKJPS-HCXPYDJZSA-N 608.994 5.606 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408822425 BPRWYTAXVPPDHS-HRIDGTDGSA-N 648.137 5.646 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408823600 NZGPXDHLWPEUEA-PRLWALMFSA-N 713.006 6.100 5 40 KKBB O=[N+]([O-])c1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCC6)cc3[N+](=O)[O-])sc2c1 408990707 LLSGDUMCFWXYLK-UHFFFAOYSA-N 537.604 6.520 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)cc1 409176361 LKWDPSULGXXSDF-JGCGQSQUSA-N 677.463 7.731 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(C(c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1 409177141 BUIRPOIGNZXRQO-LQDDJWCHSA-N 870.711 10.476 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 409180972 ZYNFBFOFRQQSDZ-UHFFFAOYSA-N 545.378 8.266 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O 409182406 LPBDZCAFBXUBAN-SSEXGKCCSA-N 556.530 6.330 5 40 KKBB Cc1cccc(CN2C(=O)N/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)c1 409239904 ODKWZTHOIJMFQK-WSDLNYQXSA-N 695.251 5.784 5 40 KKBB COc1ccc(-c2cc(C(=O)Nc3cc(Oc4ccc(Br)cc4)cc([N+](=O)[O-])c3)c3ccccc3n2)cc1 2070186 LWXHAAAOWDXJRY-UHFFFAOYSA-N 570.399 7.626 5 40 KKBB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 8899891 YPKGAWFQAXRGPU-UHFFFAOYSA-N 500.555 5.789 5 40 KKBB O=[N+]([O-])c1cc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)[nH]2)ccc1Br 9010473 VJXCBHGVEAQHPA-UHFFFAOYSA-N 512.363 7.874 5 40 KKBB O=c1oc2cc(OCc3ccc(COc4ccc5c(c4)oc(=O)c4ccccc45)cc3)ccc2c2ccccc12 11866667 GFERULRDZNCNCN-UHFFFAOYSA-N 526.544 7.364 5 40 KKBB O=[N+]([O-])c1cccc([C@H]2CC(c3ccccc3)=NN2c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 13551944 KFEUUIUCHPYFAT-HHHXNRCGSA-N 505.965 7.214 5 40 KKBB CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 24522497 MDFAGFSWQBOYFQ-SXOMAYOGSA-N 502.567 6.438 5 40 KKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1c2c(nc3ccccc13)/C(=C/c1ccc(F)cc1)CCC2 97979917 ZUERTACYQZZDOS-PTGBLXJZSA-N 541.578 7.867 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 103540510 PQIBSHXKQSCGPU-KCIBBDPESA-N 559.553 5.590 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 104708729 ZGBRZMFPLAMGBU-UHFFFAOYSA-N 598.530 5.464 5 40 KKBB C[C@H]1C[C@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O 163941164 JYVXLXLGVVOETR-MMTVBGGISA-N 665.127 7.272 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223821683 AEWBDIOALSDRMP-CAQRMWTPSA-N 776.139 7.622 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224458690 CNBPHWBFQNSLDT-NDEPHWFRSA-N 647.581 5.963 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224534768 AREBFAFKGCZMLO-XIFFEERXSA-N 741.694 6.969 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225084144 ZYSSIBIAJOIYTC-VWLOTQADSA-N 574.461 5.454 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225130904 ZHPFNKKKRBANDV-XMMPIXPASA-N 518.079 5.738 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260882457 CWRYODMNGJVHOC-PGUFJCEWSA-N 751.277 6.989 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 408565441 BWUNTTKMBVSJSA-AREMUKBSSA-N 573.502 7.279 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)cc2)cc1 408569127 IXMKVZCTIFKCJJ-NDEPHWFRSA-N 526.618 6.427 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1 408571280 OEUPXKGEXJZDLQ-HSZRJFAPSA-N 607.889 6.828 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 408572711 RWKYOKAEVYYBAU-XMMPIXPASA-N 559.475 6.889 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1C 408576123 XIECFRDFGNFNCR-VWLOTQADSA-N 571.472 6.783 5 40 KKBB O=C(OCc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408666534 VBIOCTHXIPSXAG-HMZNYUFESA-N 627.480 5.843 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 408768429 IYNWPSQSHHJUGB-QQMBNGEASA-N 790.490 6.895 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408769911 QLPYCKXYKLJTDH-KEPJHFNWSA-N 644.934 6.903 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408937396 JCLVENWGPLVQDM-UAMLYEQYSA-N 722.614 5.844 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Br)cc1 409000097 MNFBWOFBJLHLSF-MFUBYVTQSA-N 628.888 5.382 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCSCc1c(Cl)cccc1Cl 409026538 RQTLIWRMIFKDOR-UHFFFAOYSA-N 554.477 5.147 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409045382 IPDFZQWXMWSJGF-OKMHPQNISA-N 799.640 5.695 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409152764 JYACKWFJMGDAJW-ZVHZXABRSA-N 673.485 6.161 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl 409163215 NRJLQXBLXWMOBZ-JFLMPSFJSA-N 654.097 6.468 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(F)cc1 409170408 VIXLXHIQIAGCPF-CFRMEGHHSA-N 530.537 5.412 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 409187935 DIDKOTXXBASOJF-AOFXREQWSA-N 752.253 7.004 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 409189479 GZQJPVHFCAATJO-BQCQJZCVSA-N 820.136 7.749 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409370766 DFXKRYJTORNTOZ-UHFFFAOYSA-N 561.598 7.152 5 40 KKBB COc1cc(OC)c(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1Cl 1898259 OYADTODIWNXBRQ-UHFFFAOYSA-N 506.862 5.123 5 40 KKBB O=[N+]([O-])c1ccccc1Oc1ccc(C(=C(Cl)Cl)c2ccc(Oc3ccccc3[N+](=O)[O-])cc2)cc1 2028858 NTMRLDFXYWFZDQ-UHFFFAOYSA-N 523.328 8.282 5 40 KKBB COc1cc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Oc5ccc(F)cc5)cc([N+](=O)[O-])c4)c3N2)cc(OC)c1OC 8444565 NXHFAHCBVRIXDA-WIOPSUGQSA-N 631.539 6.661 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl 16195770 VXVJTNGTXWBROE-UHFFFAOYSA-N 520.811 5.800 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 97954705 WVLGEHNEHBKCGS-DSNGMDLFSA-N 550.354 6.213 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@H]3c2ccc(OCC)cc2)cc1 97971211 ZELOBQMLMCXUFI-TYKYSTQSSA-N 610.711 6.666 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1Cl 100348859 HEOGWSQBJBWUDO-JJFYIABZSA-N 574.467 7.036 5 40 KKBB CC[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)CSc1nc2ccc(Br)cc2c2nc(=O)c(-c3ccc(F)cc3)nn12 101875586 ZMDXPOQWZLPTNJ-YZQOHXRLSA-N 582.499 5.239 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)c1 111468532 RCFMJBGLZJRDJS-JLKMOJGBSA-N 622.659 5.059 5 40 KKBB O=[N+]([O-])c1cc2c(cc1S(=O)(=O)O)[C@@H]1[C@@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150389147 BCPWEHMVDWTVEJ-MXLIJDCISA-N 798.781 8.946 5 40 KKBB CC(C)(C)c1ccc(-c2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nnnn3-c3ccccc3)sc2-c2ccc(C(C)(C)C)cc2)cc1 150427304 MYXUWVIJNPGWCT-UHFFFAOYSA-N 689.867 9.360 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 163729498 NBBWLRRTVMMGET-CWJUKMOQSA-N 674.529 5.891 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214393341 OZTYOHJUBVBPFR-LSFURLLWSA-N 599.370 7.958 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223341808 HMFVBTAYRXFZSZ-WJOKGBTCSA-N 713.640 6.190 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223571397 ZQWLANATOGKTDC-WJOKGBTCSA-N 758.091 6.299 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccccn3)cc2)cc1 224761954 DUNPMUXHQHLDCS-NSOVKSMOSA-N 550.669 6.504 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224988721 INUPGMNXNLAJQR-HKBQPEDESA-N 693.620 5.717 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225263331 NCANRBVXWCYIAU-MHZLTWQESA-N 519.667 5.384 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C 225280026 AFZWWOVZKVZSJK-KAYWLYCHSA-N 543.605 5.320 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225357828 YLGUZFYGFJUAAY-UMSFTDKQSA-N 721.276 6.625 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408564419 CTDOVUNHQADOIB-XABOBXATSA-N 633.326 6.398 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1 408570948 MLANSWINTGRYHC-HSZRJFAPSA-N 547.439 7.019 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(-c4ccc(Br)cc4)o3)CC2)c([N+](=O)[O-])c1 408576917 YVDAZAICZPAZRM-FMIVXFBMSA-N 613.490 5.031 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408642216 MEQKDRDIURKRHE-UHFFFAOYSA-N 600.927 5.485 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408682865 KBYQNSDMLLYWLB-ZYNNUQKQSA-N 702.987 6.361 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408685330 PBIUSIWSZIKDNE-TUSFPTNYSA-N 692.981 6.906 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(F)cc1 408690078 ZPFIAZGRCZPKOG-UHFFFAOYSA-N 585.158 5.884 5 40 KKBB Cc1ccc(N2C(=O)c3cccc4c(-c5ccc(Br)c(C)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1C 408757710 PCHBDWKGMLGDFU-UHFFFAOYSA-N 515.363 6.903 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 408821120 CRQMARHBSFISBV-IVQFASICSA-N 655.132 6.321 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1F 408933073 HGKPOAVCWJDJTB-GRSHGNNSSA-N 501.879 5.322 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC 409108609 XDIZBTXKIUMROT-LAUBZIAYSA-N 649.194 5.825 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)ccc1Cl 409151290 AXOSTJBKXXTVQT-KEBDBYFISA-N 620.821 5.732 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409180451 SZDXKIIDAOBXDE-AREMUKBSSA-N 575.360 6.483 5 40 KKBB COc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)c([N+](=O)[O-])c1 409182414 LUOVPHSKFHWPER-UHFFFAOYSA-N 569.482 5.462 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409237179 HZSCZSTYPUANIE-RGVLZGJSSA-N 558.772 5.696 5 40 KKBB CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)cc1 2246965 DYWCXKGWWPTKND-UHFFFAOYSA-N 509.953 5.162 5 40 KKBB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccc(Sc3ccccc3)c([N+](=O)[O-])c1)oc1ccccc12 3341283 OJXARKRMBIAJGF-KRWDZBQOSA-N 542.569 6.838 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8832991 DNOLBJIBUSVBPR-UHFFFAOYSA-N 502.040 5.356 5 40 KKBB Cc1cc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)c(C)n1CCC(C)C 51103534 QZJUPRANOVNLSE-UHFFFAOYSA-N 544.599 7.392 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 68568942 MCSXGHLTXBACQB-FJUSNBNDSA-N 535.769 9.162 5 40 KKBB biogenic CCOC(=O)c1c(-c2ccccc2)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc12 97985278 SPQVCDXUSPNRDJ-UHFFFAOYSA-N 626.687 7.518 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 100306876 SUNWIDXPBPATGC-QARYAGPDSA-N 578.046 5.353 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)S2)cc1 100949631 CUSPOXFMPRSRHW-PNZYDNNZSA-N 540.439 6.098 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)o1 102650555 RCFGZBBRXCIAIT-WJOKGBTCSA-N 547.611 8.270 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 102872840 ZOBFGCHQGWUOAD-QKDODKLFSA-N 606.012 5.067 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 105314463 HDHOKXXXNHYGCR-UHFFFAOYSA-N 575.050 6.712 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 164539043 HPFKXNQVQGFTMU-DTDQMKFYSA-N 678.679 5.553 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222696100 ZXMUWYCYGZUSMG-DEOSSOPVSA-N 546.476 5.521 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225104576 KEVQERJTNOWUFP-SSEXGKCCSA-N 606.745 5.355 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225278972 YAWQCCGUVSLQHJ-QNGWXLTQSA-N 712.869 6.505 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)o1 225621185 DCEYONQXUZJBQB-KAYWLYCHSA-N 561.595 5.399 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(F)cc1)[C@]21C(=O)Nc2ccccc21 248329629 DPAPWPGRWVQXGD-YUAOJYLXSA-N 573.580 5.980 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260939373 NQJICDWATNYKNM-MGBGTMOVSA-N 707.249 6.173 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261007730 GHAJETBHFRWTCH-URNDWHGUSA-N 702.830 5.671 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 408575028 VNWQZCRNTINLAP-QHCPKHFHSA-N 549.867 7.225 5 40 KKBB CC(C)(C)c1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 408637659 MNXYUPIAQZUJTJ-RUZDIDTESA-N 636.657 6.683 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408640252 HSHQADLACXMMOM-UHFFFAOYSA-N 618.385 5.657 5 40 KKBB O=C(Oc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408726983 WOYUEXKFKRELNV-UKWGHVSLSA-N 525.882 5.617 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 408729325 YZBNCSPFLMZJEW-VVHYXOSJSA-N 637.091 7.437 5 40 KKBB Cc1cc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccccc2O)C3=O)ccc1Br 408757264 LNCSTNLFACQAMT-UHFFFAOYSA-N 503.308 5.992 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(OCC)c4)c(=O)n32)cc1OCC 408946540 OZVQOTFWHOFJNG-SXSMZTLPSA-N 738.613 5.464 5 40 KKBB COc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408996700 ABVHMTBGSHCOOH-SANMLTNESA-N 544.007 5.755 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 409030068 CAPZYIPIISUIMU-CRCYZHLCSA-N 608.072 5.407 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409035896 UPIODUJGARJRFT-JBDHCHCMSA-N 682.549 5.525 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 409061569 FTURPWWVRMLFOY-QFEZKATASA-N 561.019 5.399 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)ccc1Cl 409160961 RRAWAXIMSHFMFM-BHGWPJFGSA-N 742.910 8.064 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409164894 PFWWXTXNMJEXGU-SSDVNMTOSA-N 584.950 5.632 5 40 KKBB O=C1S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C(=O)N1c1ccc(Cl)cc1 409191539 YPXOAEKFKLNOES-MFKUBSTISA-N 516.962 7.221 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409207366 SUIRYEONYJFCFD-LFVJCYFKSA-N 583.460 6.614 5 40 KKBB CCCC[C@H](CC)COc1c2sc3ccsc3c2c(OC[C@H](CC)CCCC)c2sc3ccsc3c12 1776010916 HTASKTWYLDXXPU-BGYRXZFFSA-N 558.900 11.736 5 40 KKBB Nc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc2nc(-c3ccccc3)cc(-c3ccc4c(c3)OCO4)c12 2060758 WSWITOPDBBWLCR-UHFFFAOYSA-N 510.531 6.102 5 40 KKBB O=[N+]([O-])c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1CS(=O)(=O)c1ccc(Cl)cc1 3105511 DLQMRAPSDQPFIM-UHFFFAOYSA-N 505.404 6.666 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1 16688494 MCALDZCQCRHOGD-UHFFFAOYSA-N 518.383 5.676 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 98045422 OHOHBRNZKSCGIR-JLNIMSJUSA-N 602.646 6.784 5 40 KKBB CCOc1ccccc1OCc1ccc(-c2nc3c4sc5nc(C(F)(F)F)cc(C)c5c4ncn3n2)o1 98046181 STWBGBDONXEOOF-UHFFFAOYSA-N 525.512 6.452 5 40 KKBB C[C@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100308349 OLOPHTOKWFJOFF-CBKZDSQWSA-N 593.577 6.429 5 40 KKBB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 101114570 DYGSLDJMGUBSDS-JJTYXIDGSA-N 506.558 5.701 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 101974399 LEJPFFYPVREWFB-VHVDIUPOSA-N 616.626 6.356 5 40 KKBB CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103526424 CBXSBQLRTDYRMY-KCQQKVKYSA-N 585.616 5.975 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 104382436 RDBXYWIMIJEHLY-AGYDLCDTSA-N 568.221 5.313 5 40 KKBB Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3C)oc2cc1C 105304559 PPVBXEBDPDCFMC-UHFFFAOYSA-N 526.574 6.715 5 40 KKBB O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 108504242 VQDQXEVMJUNGLW-OBGWFSINSA-N 591.605 6.237 5 40 KKBB c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1 150354569 VOZBMWWMIQGZGM-UHFFFAOYSA-N 698.869 14.306 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223805518 SYIWZCJJLGMLMO-SANMLTNESA-N 679.623 6.138 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224873549 RIUVKPIIFHJCKG-XIFFEERXSA-N 675.207 6.142 5 40 KKBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)cc1 225377855 JHVUAKBBBLRSKA-IZLXSDGUSA-N 525.634 6.279 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225593089 ZBXDVPDOIAOTHC-JGCGQSQUSA-N 697.641 6.653 5 40 KKBB COc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 248117980 CHZRWCNJNSGYPL-GGVMLGSCSA-N 571.589 5.585 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1C 408571539 OWJWHWJDWGSCEL-VWLOTQADSA-N 598.479 6.552 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408683761 MANKGYZREJJXNX-ZYNNUQKQSA-N 692.981 6.906 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 408728950 BEBFHKWPYIBAIT-FUFNRSNVSA-N 660.502 5.989 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733984 UDMNXTABEPGGCW-IZBTWGKQSA-N 584.437 5.273 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408829965 QQVPOCRWMKHYOB-YNMQQHPQSA-N 587.654 5.064 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409040041 XMLOVKSAXFNCPQ-OCDQFKQQSA-N 708.189 5.743 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409048519 PAGOJOYIWHCUQV-IVQFASICSA-N 678.163 5.735 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cl 409160520 QVRNSMQNOSYNEB-HMAPJEAMSA-N 568.995 5.281 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 409180222 XEHZMLLGJRSANE-UHFFFAOYSA-N 563.733 5.404 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409182853 PFLPPNDFLWJBNH-IPAKXIGBSA-N 634.110 5.256 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 409221592 SMKZFIZMNHEDBA-YDZHTSKRSA-N 645.431 5.462 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409271048 IHNOKSOGQDDSPG-SVXDAGRPSA-N 626.735 5.105 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cc(Cl)ccc1Cl 2728739 PVORHVGSEZTTDS-UHFFFAOYSA-N 529.119 6.604 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=N2)C(O)=Nc2ccccc21 3309905 WOQYPCIIOQJOBV-JOCHJYFZSA-N 529.900 5.892 5 40 KKBB CCOc1ccc(Oc2cc(Oc3ccc(NC(=O)c4nc5nc(-c6cccs6)cc(C(F)(F)F)n5n4)cc3)cc([N+](=O)[O-])c2)cc1 8435517 SLZNPLDMRMNMQM-UHFFFAOYSA-N 662.606 8.015 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8833013 VNUBGURWCRCGCE-UHFFFAOYSA-N 501.568 5.520 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])n1nc(NCc2cccc(Br)c2)nc1NCc1cccc(Br)c1 97995286 RJOJGSMYHIQGPR-UHFFFAOYSA-N 586.244 5.624 5 40 KKBB Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5[C@H]6CC[C@H](C6)[C@H]5C4=O)cc3)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 100396392 HXKISKSQFYIMGI-BKOLKKJGSA-N 589.604 5.694 5 40 KKBB O=c1[nH]n(C2CCCCCC2)c2nc3c(oc4cc(O)ccc43)c(-c3cc4cc5c(cc4nc3O)OCO5)c12 101407759 MHDZQAGCTKIRET-UHFFFAOYSA-N 524.533 5.874 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccc(Cl)c(Cl)c1 102129690 GOSLERKYKMZAEV-UHFFFAOYSA-N 526.676 6.367 5 40 KKBB O=C(CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5)N(c1ccccc1)c1ccccc1 102432022 OIDDJGFYRZDIDT-UHFFFAOYSA-N 584.730 7.500 5 40 KKBB O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 102877141 FHJDUXIIMCMZBY-PFBJBMPXSA-N 604.402 6.172 5 40 KKBB O=C(OCc1nnc(-c2ccccc2)o1)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2 103083658 SVIITUVOBZKRKZ-PGMHBOJBSA-N 518.529 6.427 5 40 KKBB COc1ccc(N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 106185547 CKCCWUDPNCYKQZ-UHFFFAOYSA-N 614.724 5.041 5 40 KKBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(Br)cc1 106725601 NUMGSUNLPYZGMU-ODLFYWEKSA-N 512.341 5.781 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 138905960 RLZQCUOZSXTUQS-BYVQZYKMSA-N 571.589 5.036 5 40 KKBB O=C(O[C@@H]1CO[C@H](n2c(=O)oc3c(Cl)cc([N+](=O)[O-])cc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 150369789 WEAGHRCJBNUSEH-PXTYPYQWSA-N 659.003 5.362 5 40 KKBB O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 163948599 NMIYHNNJDCSAJZ-UHFFFAOYSA-N 683.797 6.826 5 40 KKBB Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c(Br)c1 224788595 IFPLCYJUZYHQQJ-LOYHVIPDSA-N 643.588 8.649 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 261016493 UNYIZVFFTRFUOQ-PGUFJCEWSA-N 749.286 6.468 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261044507 ZAQWBQMMIJZHGL-VXKWHMMOSA-N 661.177 5.101 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc2ccccc2c1 408572078 QOJHPIGYXDGAML-SSEXGKCCSA-N 554.672 7.125 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1C 408572375 QZMCDGQYXUVJGL-DEOSSOPVSA-N 561.466 7.328 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1ccc(F)cc1 408575379 WBOVNCOMHIOVGZ-HSZRJFAPSA-N 543.418 6.166 5 40 KKBB CCn1c(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCCCCC2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633121 LQYVZKACABBPFX-CJLVFECKSA-N 528.034 6.125 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C(=O)O)o1 408633782 PIQSOIUNZDTZAT-SRZZPIQSSA-N 576.439 7.329 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)O)o2)c1 408634508 VNWCQXVHSOZKHQ-MTJSOVHGSA-N 509.496 5.448 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(SC)cc1 408784568 UYABOUIPWZWZJN-HVDVVURSSA-N 665.749 5.801 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409064243 CJEIFXRCMAMVKI-SRZZPIQSSA-N 572.799 6.086 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409088902 MEZCQGDZDAKYRO-YDZHTSKRSA-N 564.982 5.066 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 409188672 JMVJTYQNNZGRRN-HGGMLFSRSA-N 807.354 7.714 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)ccc1Cl 409199573 HRCCXISQQPVLMX-WSVATBPTSA-N 572.810 5.797 5 40 KKBB CC(=O)Nc1ccc(Oc2cc(NC(=O)c3nc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc1 3139669 VNPPVIOKLNRPAH-UHFFFAOYSA-N 583.508 5.783 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 3669541 TZWZFMLYHHEXIY-UHFFFAOYSA-N 530.425 6.520 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N[P@@]1(=O)C2=C(N3CCCCC3)CC(C)(C)CC2=NN1c1ccccc1 13303015 HCMPLAUHZCHTLD-BHVANESWSA-N 509.547 6.602 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2)n1C 13425490 MEYZMJORQRYCIV-KRWDZBQOSA-N 516.583 5.070 5 40 KKBB CCOc1ccc(-n2cc(-c3ccccc3)c3c(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)ncnc32)cc1 17315356 IXMAOIWAKSWFNW-UHFFFAOYSA-N 520.593 5.721 5 40 KKBB O=C(c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 97971279 GONMSONKEHLAPM-WABCOUEQSA-N 657.104 7.426 5 40 KKBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 97980169 ZROFMDBZHNTQJE-AMDUHLOVSA-N 575.496 7.939 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n31)c1ccccc1CC2 104654971 XPIPEZZZCSITCO-ITNPZBTBSA-N 596.064 6.149 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1OCc1ccc(Cl)cc1 215015677 XCEYTWBJTRYDIZ-LPYMAVHISA-N 510.955 6.072 5 40 KKBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222947014 INWGWKQIYDTHBD-HNNXBMFYSA-N 512.459 5.467 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223756697 ZYTRSVXKYAZBIX-YTTGMZPUSA-N 709.221 5.545 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224715976 QYKFAGDTVKJBRI-VWLOTQADSA-N 636.771 5.282 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225310381 GGNPYCCTHAUPMB-LJAQVGFWSA-N 580.150 6.570 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225355228 SBOQYLSJGORRNM-DHUJRADRSA-N 686.831 5.972 5 40 KKBB CC1=C[C@H]2C[C@@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5c(Cl)cccc5[N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 226412302 IBBQLBXXABFNKA-UBZHHNTMSA-N 558.974 6.099 5 40 KKBB COc1cc(CNc2ccc(Br)c(Cl)c2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408556494 IZTMCJODZOSDBM-UHFFFAOYSA-N 610.608 8.205 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 408565555 CKAQHYUKBAEHNP-RUZDIDTESA-N 570.027 6.225 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl 408565760 DBCRONRPBOSPOX-AREMUKBSSA-N 539.057 6.544 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408640360 AUQUVDCYFYVVRU-OVWYZSLCSA-N 571.973 5.088 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 408835376 WSVYZVNKODCVFR-ORVZPOCUSA-N 729.980 5.852 5 40 KKBB O=c1/c(=C\c2cc(Br)cc(Cl)c2O)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408841603 LYMFAECCAYBYKO-XOBACGFXSA-N 594.874 5.348 5 40 KKBB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 408945086 HFKSAGBRKAQRJL-OCDQFKQQSA-N 722.614 5.844 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 408991373 ZZKWAEQTFHTFPA-NXYYLBPMSA-N 852.501 6.799 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409035378 JRQBZWHHMSXOKK-OIUASMPBSA-N 643.718 5.081 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 409036556 RREWNIMKMAIOAY-DXUGRCAZSA-N 636.730 5.497 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 409090696 NLGCUHHVIJGUSU-JLHDDXNDSA-N 606.660 5.359 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409100009 PDKOOBMVOIJAOM-KMBIYUNPSA-N 595.052 5.064 5 40 KKBB O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 409106070 KQBIBORJTDIOML-KEBDBYFISA-N 563.191 6.340 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)c1 409184715 ZNVIYLMILPBQFQ-UHFFFAOYSA-N 621.001 7.990 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409187911 CZJLNDPQPPIPHH-VEJJZHSVSA-N 563.360 5.719 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O)N1CCCCC1 409389460 ZIDOHFTWRDAPNU-XYGWBWBKSA-N 531.590 5.376 5 40 KKBB COc1ccccc1-n1c(S[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)nc2cc([N+](=O)[O-])ccc21 12540924 GDFCNEASMAMDIU-UYTITELCSA-N 506.628 5.508 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 21576172 RVLYXFGAXBZZJN-UHFFFAOYSA-N 504.930 5.209 5 40 KKBB COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1Br 150450899 KHLJOYIAPCVLOW-GCZHVTBPSA-N 650.485 6.348 5 40 KKBB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 150479650 OHAFTIWTFWEBAK-QOABANGQSA-N 650.113 6.133 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 150653175 QEJZTYOUXZYPKY-FHQMNNMHSA-N 682.582 6.299 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222665269 RVWIEAYZEAGVGH-SANMLTNESA-N 621.543 5.429 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 222665837 SDIHHXARNZVCCK-SANMLTNESA-N 554.043 5.048 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223519705 WQFNLAOULGZBTD-VWLOTQADSA-N 714.068 6.789 5 40 KKBB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)s1 224760969 HWRWYWIVDLYUDT-DNQXCXABSA-N 504.662 6.688 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224852592 TUWFWNVXKHDUMG-WJOKGBTCSA-N 649.169 5.608 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224860303 HCBMBBQKNVSTLY-NDEPHWFRSA-N 679.623 5.994 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225194397 GVOAGOREHIKMQB-GDLZYMKVSA-N 610.708 5.186 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC 225203447 ZKEKBDYGOSCLJS-KAYWLYCHSA-N 543.605 5.784 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)N1CCCC1 408551206 MJUZMMLPFDPVAM-YBFXNURJSA-N 719.295 5.042 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 408577249 YWGNVYSQWAAVSU-AREMUKBSSA-N 573.502 7.197 5 40 KKBB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]12 408728788 UEWKPOJDRIOYQS-FPMFRTRJSA-N 503.352 5.102 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)c1 408766512 CNRYFIGPAPXSSG-MQEBXPQWSA-N 743.845 7.915 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n21 408950215 MDTYLRIZKJUPKN-MBSKNMOHSA-N 701.599 5.869 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 409076899 CHBISZWGUWWHLF-MKWGYRPRSA-N 592.098 5.511 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 409079335 FLWKWWMDBSCNSA-RZCKFYKVSA-N 676.751 5.768 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1 409094583 FCBGYYAVCZVBNR-PSAPEEBNSA-N 678.796 5.861 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1cccc(Br)c1 409166459 DPIKZJVDQYWYCL-SRZZPIQSSA-N 556.350 6.294 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)N1CCc2ccccc2C1 409273795 STOGDAGPGAJCJF-WSDLNYQXSA-N 568.405 5.239 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409332427 FDTVAQGAKTUIAQ-HVDVVURSSA-N 643.718 5.083 5 40 KKBB CCCCCc1cc2ccc3c(O)c4c(cc3c2c(O)c1C(=O)O)C(C)(C)c1cc(O)cc(O)c1C4=O 1554627 LKGKHTANQJZVPR-UHFFFAOYSA-N 500.547 6.117 5 40 KKBB biogenic,in-vitro Cc1c(-c2ccccc2)sc2nc(SCC(=O)Nc3nc(-c4ccc([N+](=O)[O-])cc4)cs3)[nH]c(=O)c12 3304641 OKJSDBGXVAJOLC-UHFFFAOYSA-N 535.632 5.723 5 40 KKBB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 19927946 MNNUNIQSMOXNHD-UHFFFAOYSA-N 504.149 5.445 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 100849225 ZMIHIEGLVVBBGF-CLWMVSBGSA-N 571.589 5.460 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=Cc4cc(Cl)ccc4N3[C@H](C(=O)c3ccc(Br)cc3)[C@@H]2C1=O 101064474 CASFWPMBCHBMJZ-QVQNZMNRSA-N 592.833 5.592 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)c3ccc(Br)cc3)[C@@H]2C1=O 101064610 RETAXBVUKMOBNA-LIONHTAISA-N 558.388 5.064 5 40 KKBB COc1cccc(NC(=O)CSc2nc3cc(C(=O)NCCc4ccc(OC)c(OC)c4)ccc3c3nc4ccccc4n23)c1 102744556 LYLYMIBNLKTDGH-UHFFFAOYSA-N 621.719 5.765 5 40 KKBB Cc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C 103053735 CGOXOUUGDAMURM-UHFFFAOYSA-N 552.834 5.462 5 40 KKBB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1Cl 103053792 DCCGPVIFWRHNKJ-UHFFFAOYSA-N 548.326 5.754 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306622 NOOOWEHOKBUJAX-UHFFFAOYSA-N 537.985 5.020 5 40 KKBB CC1(C)C[C@](C)(c2ccc(Br)cc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 105513325 WLPPOGLXTBOSIN-HHHXNRCGSA-N 569.908 8.361 5 40 KKBB O=C(O[C@@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 150361493 IJTANGJQVDVKFH-WULKOTHYSA-N 689.761 7.450 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1Cl 215014584 XUSATWNRUSRPOV-FOKLQQMPSA-N 545.400 6.726 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)c1 248114032 AFMJNMFGJOBXNT-YRAGKPRHSA-N 571.589 5.585 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260989197 PNGVEBRWWDMGCX-VXKWHMMOSA-N 631.151 5.093 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1 408571386 OPADLYQURVQASX-RUZDIDTESA-N 633.952 7.088 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408572491 RIFUBUCMJFENMI-DEOSSOPVSA-N 570.027 6.143 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCC 408572596 RJESSIMZDQXMGE-LJQANCHMSA-N 507.410 5.246 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408645308 SDZXCBKVEAQIHF-UHFFFAOYSA-N 728.155 8.844 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730925 WFQKIYOIIFSDMR-DKOMQPSQSA-N 703.365 5.500 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1cccs1 408767509 LWJCMBHMFDUNBH-GWXNNEATSA-N 672.788 6.893 5 40 KKBB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 408796116 DRQMVMSUYBIPPR-GPWKXQAKSA-N 523.034 7.562 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1cccs1 408914223 NODLSNJVKSBBPH-FABFSAKGSA-N 696.788 5.097 5 40 KKBB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408978698 AONHDPXKQFDVCW-UHFFFAOYSA-N 562.702 5.947 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409042464 KXNBVPNUWWBPEW-QQMBNGEASA-N 722.614 5.844 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409076650 BMMSGYADINRXBV-PBKKUYBVSA-N 702.967 5.790 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 409091065 SSTJSGJCXHGPPQ-YDZHTSKRSA-N 602.452 6.554 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409108599 XBDYZVRRYJOMKB-CYGYJLBOSA-N 663.781 5.908 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409155805 CVWSAIVFWSIVJN-BHGWPJFGSA-N 656.467 5.739 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(F)cc1F 409247048 AXJCRXTVUKOHLF-ODCIPOBUSA-N 658.355 7.122 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409274029 TZZVXOKHSOQRPJ-MSXFZWOLSA-N 581.990 5.194 5 40 KKBB O=C(CSc1nnc(Cc2cccs2)n1CCc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 3251556 BPMUGCCZSXKOKC-UHFFFAOYSA-N 514.032 5.466 5 40 KKBB O=C(CCC(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc2[nH]c3ccccc3c(=O)c2c1 5479452 RRMOGJUANGHNMW-UHFFFAOYSA-N 502.530 5.033 5 40 KKBB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)c(Cl)c2)cc1[N+](=O)[O-] 6297618 NCYYCPGALCXTQA-UHFFFAOYSA-N 615.968 5.406 5 40 KKBB O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)Nc1cccc(C(F)(F)F)c1 62587498 NYILFPZFBAZILB-UHFFFAOYSA-N 507.497 5.054 5 40 KKBB CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccc(COc2ccccc2Br)c1 97948413 CGGYXLAAKDTKPK-UHFFFAOYSA-N 568.453 5.946 5 40 KKBB CCC(C)(C)[C@H]1C/C(=C/c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2nc3ccccc3c(C(=O)O)c2C1 97981448 NGFKLAKZYLNZKA-OVCORXIESA-N 543.649 6.660 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 97983827 UVMLGXOHJPBVFH-AGOSLVPCSA-N 558.585 6.146 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 103549391 HKAUMPZMOFDTTB-UIUKDCGCSA-N 585.616 5.850 5 40 KKBB O=[N+]([O-])C1=CC[C@H](c2nc(-c3ccc(-c4nc(-c5ccc([N+](=O)[O-])cc5)nc5ccccc45)cc3)c3ccccc3n2)C=C1 103584272 OFCUGDPWUBFTNZ-XMMPIXPASA-N 578.588 7.686 5 40 KKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 104221771 YOPCHDMZGLKRNI-ONNFQVAWSA-N 526.774 7.033 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 105623750 SKNOFRYXERVLQU-CFRMEGHHSA-N 542.972 6.602 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150395704 HSJLUZZBSOPMFM-KMCFWPMWSA-N 651.697 5.429 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(Cl)cc1Cl)[C@@]21C(=O)Nc2ccccc21 150422397 QKIIMVJPMJSBIP-CDACFMRSSA-N 624.480 7.148 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 163198254 FSURKSBNEWNAGW-BPOMCQNBSA-N 645.737 6.213 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1 163252918 HCXXVUAUHDZBMJ-KOHOJCOXSA-N 632.654 5.936 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222920900 FEVVNRKJVKOTGY-FQEVSTJZSA-N 665.596 5.746 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223293867 LUDROBZJXRZOPJ-AREMUKBSSA-N 659.205 5.791 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)o1 224284074 DKPZDCDIBCDEIQ-FTJBHMTQSA-N 500.580 6.052 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225734613 YGOKSIGJPLDVAZ-LYZGTLIUSA-N 679.623 6.136 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 408572325 QXBDHHWXKPDABP-RUZDIDTESA-N 524.574 5.421 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)cc1 408575096 WAFDVWUUCXXQBH-VWLOTQADSA-N 508.575 5.803 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)O)n[nH]2)c1 408630681 ACCVFXLAQSSSAU-MTJSOVHGSA-N 508.512 5.183 5 40 KKBB Cc1cccc(N2C(=O)c3cccc4c(-c5ccc(Br)cc5C)c([N+](=O)[O-])cc(c34)C2=O)c1 408758356 YLVGAUUKRAWEHF-UHFFFAOYSA-N 501.336 6.595 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)cc1 408835365 WSVYZVNKODCVFR-IYVASWNSSA-N 729.980 5.852 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1Cc1ccc(Br)cc1 408873498 UWRXOIUYJSIUTH-UUYOSTAYSA-N 651.276 6.777 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 408875526 JSYPNBRYKWBHDQ-UUYOSTAYSA-N 559.825 6.826 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1cccc2ccccc12 408916309 BPFWJNXCMFXPLF-JVWAILMASA-N 619.493 7.725 5 40 KKBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O 409009959 IWHKJYRMVKWOQI-PVGUKEHMSA-N 626.425 5.165 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409092764 WLFCPUWRQOVUHR-ZWTBYVTRSA-N 668.522 5.136 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 409101871 ZHPYQPJKVXQJOE-ZVHZXABRSA-N 612.458 6.010 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl 409151905 IOARLFUMLFOSOH-CFRMEGHHSA-N 596.017 5.679 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409153500 LGCCVDUDJSEDOV-ZVHZXABRSA-N 547.589 5.474 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409154550 KIVFWCDGEOJMAV-FSJBWODESA-N 646.903 6.663 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)o2)c([N+](=O)[O-])c1 409164412 ICRPFWWARLTQDB-WSDLNYQXSA-N 507.524 5.155 5 40 KKBB COc1cc(CNc2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409176610 SOGFKXPNEKWOCZ-UHFFFAOYSA-N 524.742 6.053 5 40 KKBB Oc1c(-c2ccc3c4c2CC=C2C=CC=C(C=C3)[C@H]24)cc2ccccc2c1-c1c(O)c(-c2ccc3ccc4cccc5ccc2c3c45)cc2ccccc12 1857792219 GJCNGVZBVIULLF-YACUFSJGSA-N 688.826 13.392 5 40 KKBB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 684439 YDKLEPODZCLGLD-QHCPKHFHSA-N 523.958 5.916 5 40 KKBB COc1ccccc1NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc(-c2ccccc2)c1C 2290356 JVPXVSHUPDTYMR-UHFFFAOYSA-N 532.534 6.053 5 40 KKBB O=c1cc(CSc2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)c2c(ccc3ccccc32)o1 3298769 NVIPGUGYUZQROQ-NRFANRHFSA-N 504.011 6.329 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc(F)cc1 100340898 KEQJAIPXDZHCLF-YDZHTSKRSA-N 587.423 6.711 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccc2ccccc2c1 100975022 PGAYZKOBUHPNHL-DHZHZOJOSA-N 535.297 5.815 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)SC(c1ccccc1C)(c1ccccc1C)c1ccccc12 103768975 OAFXJHDNNUHSQU-HKBQPEDESA-N 551.693 7.517 5 40 KKBB COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1Cl 105304576 VEJZTYIYGPVXHK-UHFFFAOYSA-N 548.968 5.378 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 150363043 CUMLXZZKDSPGAI-WGJPBTIMSA-N 698.595 6.990 5 40 KKBB CO[C@H]1/C=C\C=C(\C)C(=O)Nc2cc3nc4ccc(Br)cc4oc-3c(c2=O)C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@@H](C)/C=C(/C)[C@H]1OC(N)=O 150388486 GRRRVBFXHGBGOJ-KLXMWOOJSA-N 698.611 5.516 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c2=O)=N1 164180903 YWWFHYFUGVPPQC-BXMULHQWSA-N 783.610 5.976 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223631654 SSPQVKACSVQSBD-XMMPIXPASA-N 560.434 5.065 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225099271 ZATJPROLRMOGFS-XIFFEERXSA-N 727.667 6.579 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225127823 JHAOZVIUXJJLLV-SFHVURJKSA-N 504.052 5.348 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225366934 RIOHBLGKKONFBL-NDEPHWFRSA-N 580.081 5.725 5 40 KKBB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247340178 SBACVMWRUYNGQB-IDFSYQMWSA-N 585.572 5.305 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260872032 LJXFOUUYOZIVAH-JGCGQSQUSA-N 727.667 6.579 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260885062 DVPDMNKXFPDWET-GDLZYMKVSA-N 691.634 5.765 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408567186 QFSSJCVREVNINJ-KLPDMWAPSA-N 647.353 6.788 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408570558 LJJNFNWGBOBUBL-BABFKJTQSA-N 586.870 5.648 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc(Cl)c1 408571355 OMOOURROIYKTLQ-HSZRJFAPSA-N 589.899 6.689 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc2ccccc2c1 408572998 SCSWRVJHXQQHBQ-HKBQPEDESA-N 568.699 7.434 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408574440 UVGZCQFDJLRGLE-DCNYXLTISA-N 607.288 5.912 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408637764 BBYBZIKNEYYIMJ-IHMJZKOGSA-N 576.005 5.702 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408659608 WBWSMSVSJNHWPT-MOVYAIRMSA-N 634.428 5.168 5 40 KKBB Cc1cc(I)cc(C)c1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408737927 PZVIPETVGDXYAH-QFIPXVFZSA-N 573.387 5.292 5 40 KKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccc(Cl)c(Cl)c3)sc2c1 408750481 NRWWKBAHLVSGEM-UHFFFAOYSA-N 516.387 6.604 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5c(OC(=O)c6ccc([N+](=O)[O-])cc6)ccc6ccccc56)c(=O)n42)c2ccccc2CC3)cc1OC 408758199 WUUIVIPCBGPZQC-IYJCGXJPSA-N 695.753 6.617 5 40 KKBB CN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 408810791 JTODRENYTKPILR-NVNXTCNLSA-N 528.178 5.365 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408835347 XHMQBWDEIXWEIQ-FUFNRSNVSA-N 713.006 6.100 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)cc1 408849080 YPNNMOVRKJPEAK-YBFXNURJSA-N 597.830 7.098 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)cc(Cl)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC 408936833 GGBRSYKCLAICIJ-ILLSWNIOSA-N 684.554 5.610 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408997452 GHNAJXGPHXYDOM-PLQLAVCSSA-N 723.807 7.340 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4c(C)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1Cl 409000848 NJFJZDUSQXHVRI-NULZLWRNSA-N 553.083 6.067 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c2=O)=N1 409030886 IIKCFUBKCKAMRO-CRCYZHLCSA-N 642.517 6.062 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409039685 RVIOOTVVIVEADL-FZEVDNDPSA-N 801.510 6.606 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409089758 JWLHXBHGPNISDN-ZCWBPALNSA-N 682.549 5.445 5 40 KKBB CCN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)c2ccccc21 409119731 QOMRRWBOUHGYCV-NDENLUEZSA-N 509.356 5.852 5 40 KKBB O=C(COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)N1CCCCC1 409127078 BYDBRTPXJGZVLC-UMSFTDKQSA-N 590.680 6.348 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)cc1 409176456 NYWZNLYTSWBGNZ-LPYMAVHISA-N 534.550 5.028 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 409176502 PLLCXOPLKNYQTF-AREMUKBSSA-N 551.467 5.085 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409269501 CIICSYOZRNKMCL-YDZHTSKRSA-N 508.939 5.746 5 40 KKBB CC(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1 8838127 YPSIHNMZHPUNKW-MGIIHASJSA-N 530.713 6.697 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](OC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccccc1 15979129 DDYOAVASRJBZRB-HSZRJFAPSA-N 513.377 6.637 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cccc(C(F)(F)F)c2)cc1 19856781 MBNIEJKOXXJVDH-UHFFFAOYSA-N 507.490 5.064 5 40 KKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2 33664177 JRCFUMVFEGYXJV-NKFKGCMQSA-N 509.561 7.338 5 40 KKBB CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1 77286438 ODEVCWAIAJCZRJ-MGJPSJOXSA-N 669.094 15.611 5 40 KKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@H]3C2=NN(c2nc(-c4ccc(-c5ccccc5)cc4)cs2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 97984079 NRERLGVASAWBHW-IKOWFMJUSA-N 613.699 9.095 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@H]1C(=O)N(c2ccc(Oc3ccccc3)cc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 102803256 IYIOOKBSDDQFMP-UIOOFZCWSA-N 541.947 6.337 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105318699 NFIPHMXTJCGYNI-UHFFFAOYSA-N 620.604 5.344 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106716768 QXNKITBHEQPQDZ-NHDPSOOVSA-N 546.388 6.724 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(F)cc1 106722022 OCSMFZDMYUXHPT-OYKKKHCWSA-N 508.527 5.948 5 40 KKBB CCOc1cc(Br)c(Br)c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1O 106740581 RJWGTEJGNHSXIG-CHHVJCJISA-N 558.204 5.461 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1cccc(OC)c1 150395242 DZWUYITYWPZULE-POKSHJSXSA-N 637.670 5.121 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N1 164189296 XRJCWOZFFOBJLM-RIFKOAFWSA-N 673.744 5.092 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224560102 QRNSLGWPGBQYRV-HHHXNRCGSA-N 635.570 5.142 5 40 KKBB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 224854628 SPFGFJDOHXCSCL-UIOOFZCWSA-N 532.578 5.453 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)o1 225001364 IZACLTMSFJYWEC-XZWHSSHBSA-N 604.132 7.325 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225274665 NPVUODSRVPRJRH-UUWRZZSWSA-N 672.804 5.664 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1 408554491 CZSMDTRFPLIRGD-UHFFFAOYSA-N 500.349 5.386 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1F 408571128 NSGXMMCRGNGVFB-AREMUKBSSA-N 522.602 6.111 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 408572388 RAHPZMKVLJMNNM-XMMPIXPASA-N 512.994 6.366 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408652995 PKNDISXQIGARQA-MFTWVQLTSA-N 756.565 6.709 5 40 KKBB O=c1/c(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408776408 OFIIOGYDGHCPQH-QQMBNGEASA-N 620.618 6.067 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 408915957 SKBUVWUFFPFRPT-FWESEHMYSA-N 688.183 6.146 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(Cl)cc5[N+](=O)[O-])C(=O)[C@H]34)c(=O)n2[C@H]1c1cccc2ccccc12 409033331 DZYUJLNKBQYMOR-CUKMAXQCSA-N 807.284 6.716 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]32)c2ccc(OC)cc2)cc1 409041081 IDVUBBIQRXFIPL-ALMNYQQGSA-N 522.557 5.344 5 40 KKBB COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409080688 FRHMFKXNGPABNB-BKUYFWCQSA-N 516.019 5.568 5 40 KKBB O=C(Oc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)c1ccccc1 409112996 HPDAVQMWDFQGCN-MGBGTMOVSA-N 569.617 7.175 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccc(C(F)(F)F)c2)N1Cc1ccccc1 409125558 AXUCAPDQKWOWGI-HHHXNRCGSA-N 517.507 6.975 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409182851 PFLPPNDFLWJBNH-FHQMNNMHSA-N 634.110 5.256 5 40 KKBB Cc1ccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 409248314 PMRXXKYDCLUWEN-LPYMAVHISA-N 522.355 5.338 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409338012 BIQUYOKSJRUMRE-RGVLZGJSSA-N 632.392 5.070 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409352415 CHMQWNFFSOGFAO-ZWTBYVTRSA-N 900.327 6.566 5 40 KKBB CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2ccc(C)c(Cl)c2)c1C 2735281 BEQRKOLDJXPGEH-UHFFFAOYSA-N 501.948 5.608 5 40 KKBB O=C(C[S@@](=O)c1ccc(SC(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl 9082906 XYUSQHCUMWBNLK-HKBQPEDESA-N 506.833 5.625 5 40 KKBB CCOc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccc(C)cc2)c([N+](=O)[O-])c1 27525326 JWACPLXIFWZUOJ-UHFFFAOYSA-N 519.583 5.192 5 40 KKBB O=C(Nc1ccc(Cc2ccc(NC(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)cc1)OCc1ccc([N+](=O)[O-])cc1 59663392 BRIFCNLJZHXEMK-UHFFFAOYSA-N 556.531 6.591 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)c2)cc1 60016172 MKLBTODIWSEACZ-UHFFFAOYSA-N 586.670 5.979 5 40 KKBB C=C(c1ccc([N+](=O)[O-])cc1)c1ccc(/C(=C2/C=CC(/C(c3ccc([N+](=O)[O-])cc3)=c3/cc/c(=C(/C4=NCC=C4)c4ccc([N+](=O)[O-])cc4)[nH]3)=N2)c2ccc([N+](=O)[O-])cc2)[nH]1 95100382 UVDUOPPGBYLZAT-SEMVYKIWSA-N 810.783 7.916 5 40 KKBB Brc1ccc(C[N+]2(CC[N+]3(Cc4ccc(Br)cc4)CCCCC3)CCCCC2)cc1 101075144 DLZYVMQOOBXJCJ-UHFFFAOYSA-N 536.396 6.913 5 40 KKBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1OC 101103213 LJNAHZURNZJVMY-XDIAGNKYSA-N 548.684 5.591 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1 102556674 PWBZMRUOQXZBRM-DSITVLBTSA-N 582.407 5.206 5 40 KKBB CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccc(OC)c(OC)c1 102794830 LTBUDRMEDWGJDI-WENCNXQZSA-N 527.577 6.572 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306683 APMISFOCKAZPLL-UHFFFAOYSA-N 616.881 5.782 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1Cl 105511642 QLYUSZTVWYRJCP-MFUBYVTQSA-N 584.437 5.273 5 40 KKBB COC(=O)c1ccc(Oc2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2OC)c([N+](=O)[O-])c1 106681361 FDZKQZRNZZKVLY-QRVIBDJDSA-N 520.519 5.419 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112238654 FFZCRQLPHWSLRK-UHFFFAOYSA-N 611.955 5.359 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c2=O)=N1 150393943 QDWYEGWTQUSPMT-PRLWALMFSA-N 682.549 5.526 5 40 KKBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O 205765051 JKSFAKNFFKMSMS-QGMBQPNBSA-N 589.342 6.156 5 40 KKBB CCCC[C@H](CC)Cn1c(=O)c2cc(-c3cccs3)c3c(=O)n(C[C@H](CC)CCCC)c(=O)c4cc(-c5cccs5)c(c1=O)c2c43 217485798 MXCXQAUCCPZPDH-PSWAGMNNSA-N 654.898 8.955 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223292404 QEIZCXCRQSXGDY-HXUWFJFHSA-N 621.543 5.431 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223820312 GAIUTUJJXDZBBU-HHHXNRCGSA-N 635.570 5.821 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224656889 YDVICDUKBZFOTL-NRFANRHFSA-N 677.607 5.890 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 224681508 IGDTVRZVELNHPT-KYJUHHDHSA-N 547.640 7.058 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225190092 RJAQMDNXONVACC-XMMPIXPASA-N 501.624 5.223 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225254764 CKHBEEMFXSSNQC-VQTJNVASSA-N 621.543 5.429 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 225295526 QHUWFJOEENQBTB-DHUJRADRSA-N 668.816 6.188 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225593166 WKCCTJJZDRGQGM-JGCGQSQUSA-N 697.641 6.653 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260913956 GBFKUTCOTKPXPP-PIKZIKFNSA-N 679.623 6.136 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261004931 FUJVRSKRZXNRAZ-SYBRLPANSA-N 642.778 5.653 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 408565995 DMHXONGNNQORRP-HSZRJFAPSA-N 628.763 7.988 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl 408574429 UUMNQGJPGSCLDP-QHCPKHFHSA-N 624.344 7.343 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 408638145 BZAPNDQRHVIOQX-WSNNEZGNSA-N 610.450 6.355 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408644012 QMOQRLXMYCDPGG-UHFFFAOYSA-N 583.940 5.004 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408677525 CAUWZOZURTYROQ-UHFFFAOYSA-N 785.852 7.805 5 40 KKBB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12 408720473 QLFBPYXHPNKIFL-TVNKHIRZSA-N 520.585 6.009 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4c(ccc5ccccc45)C3=C[C@@H](c3ccccc3)[C@H]2C1=O 408732377 QIBGKYGNJUNOOG-QZQBRAAYSA-N 530.536 5.578 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccccc1 408757218 WFJSSJHAFLMNHH-GRPHBVMCSA-N 617.683 5.423 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408836055 POVRKTCIFGPTJD-UPWSPCOFSA-N 851.457 5.893 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408851127 ITHLDPOWWBRSJH-PRLWALMFSA-N 587.654 5.062 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 408920114 HGXHJTKDUYVAAV-ZSJKCPIUSA-N 610.113 5.730 5 40 KKBB Cc1cc(Br)c(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1C 409003880 VRXSEEOZRHELFN-NDEPHWFRSA-N 586.486 6.472 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c2=O)=N1 409033031 DFFPEGPMRHBPOZ-LCQSEVKBSA-N 638.098 5.417 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c2=O)=N1 409039491 GUAGWUNREKUPJR-UQDCTOEPSA-N 682.549 5.526 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 409080514 FCWCYZGBLJRDFV-JAYSWQADSA-N 637.095 5.419 5 40 KKBB COc1cc(Br)c([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1OC 409120661 VDXYRWFFSCNUDU-LJAQVGFWSA-N 588.458 6.736 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)ccc1Cl 409157455 MTIRNKXUSDVJFK-MFKUBSTISA-N 545.016 6.498 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)C1=O 409247155 BKJKKVHGPJWOJL-KSEXSDGBSA-N 602.046 5.308 5 40 KKBB O=[N+]([O-])c1c(O)nc(/C=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)nc1O 409345879 MAHGOFZKWSGTKH-UTCJRWHESA-N 557.582 5.724 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 832718 WDCFRLSGQMGCAM-QYVRTBTHSA-N 558.546 5.031 5 40 KKBB Cc1cccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 2313198 FVJSDGAESYHBOB-LJAQVGFWSA-N 539.599 7.193 5 40 KKBB O=C(Nc1ccc(C(OC(=O)c2cccc([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 3182875 RJTVTJOKTAPTTO-UHFFFAOYSA-N 557.359 5.932 5 40 KKBB COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)/C(=C/Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3C2=O)c1 5941401 WPQGBFZNQLXRMV-HAVVHWLPSA-N 605.028 5.698 5 40 KKBB Cc1ccc(Sc2ccc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2[N+](=O)[O-])cc1 12955146 SWVRERWQPLCFFG-UHFFFAOYSA-N 509.675 6.962 5 40 KKBB O=[N+]([O-])c1ccc(NCCCCCCNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 33354483 TWYKOUFMVQUCDY-UHFFFAOYSA-N 505.837 6.168 5 40 KKBB C[C@@H]1C[C@@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 98050197 IIIBMFAXUHDFLR-LYZGTLIUSA-N 596.108 8.219 5 40 KKBB O=c1/c(=C\c2cc(Br)cc([N+](=O)[O-])c2O)sc2n1[C@@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 100956983 XWGCVQOWTHEMRH-XOBACGFXSA-N 594.874 5.348 5 40 KKBB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)CC2)cc1 101160206 XFPVJMKYAGUQPV-BMRADRMJSA-N 536.588 5.778 5 40 KKBB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc3nc(SCc4ccc([N+](=O)[O-])cc4)sc3c2)n1C 103892704 PRJLFORASBMLEI-UHFFFAOYSA-N 592.728 6.244 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 105768671 IOPLSNCNPFUALT-NQDYMZAQSA-N 598.464 5.582 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223304722 WILASZWLALVIKG-OAQYLSRUSA-N 665.596 5.748 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)CC1 225004017 SNIUOVKOLSUWQL-WDYNHAJCSA-N 574.106 7.317 5 40 KKBB COCCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 254438948 GRJFAINEHRGPED-GIBDUUHHSA-N 514.619 5.023 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl 408565762 DBCRONRPBOSPOX-SANMLTNESA-N 539.057 6.544 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1 408577405 ZHMOCQCRQGGLID-SANMLTNESA-N 613.534 6.825 5 40 KKBB COc1cc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408634188 RVCCFRXGZHNVHH-FMCGGJTJSA-N 569.979 6.112 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408663121 YDHOIJJZPHLQSX-OVWYZSLCSA-N 636.444 5.392 5 40 KKBB O=C(CCCCCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1ccc([N+](=O)[O-])cc1 408667392 VLSOVDMBDYSNRD-BCBQGPIMSA-N 621.473 5.474 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)S2)cc1 408780836 LUUOWHVIJJBVNQ-QDNAUZDWSA-N 530.433 6.643 5 40 KKBB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408933420 JLXXSKRTFBIYQZ-XKZIYDEJSA-N 507.930 5.319 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409087498 ZABSZWOEAYRIPX-ZCWBPALNSA-N 698.548 5.145 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cccc2ccccc12 409145736 PLENWGKPNMAUCD-NBQDTTAVSA-N 684.568 6.201 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409175701 URNKAWBPYYKVPG-MFKUBSTISA-N 563.588 5.256 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409192358 BFGHXCGJXJEWKL-OHZLDYPRSA-N 791.355 8.050 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccccc1Cl 409229303 MXRDPOTXOUOEFH-VXLYETTFSA-N 518.334 5.837 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409250235 QCDTVYWZQPMVBV-YDZHTSKRSA-N 566.408 5.736 5 40 KKBB O=C1N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 409251299 UTQZOJOLJPRTMD-FYJGNVAPSA-N 508.328 5.029 5 40 KKBB O=C(Nc1ccc2nc(SCc3ccccc3[N+](=O)[O-])sc2c1)c1ccccc1C(=O)N1CCOCC1 409335131 JVBOCLICOMXXGT-UHFFFAOYSA-N 534.619 5.222 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409349164 RPMFZIXKBCVMQA-GKTKDVHMSA-N 757.457 6.128 5 40 KKBB CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCC(N)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 1775953453 AOQUTNZVKHWNHJ-UPAJKRQCSA-N 899.007 5.582 5 40 KKBB O=c1c(Br)cc2c(-c3ccccc3)c3cc(Br)c(O)c(Br)c3oc-2c1Br 5766753 YDORCWFBNQOQIK-UHFFFAOYSA-N 603.886 7.320 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 13304319 HDHSGVRQCONKDG-UQBOJQRSSA-N 507.924 6.963 5 40 KKBB O=C(O[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 59227984 VBDBDZHLJKDSSB-BEMMEUOBSA-N 569.610 5.864 5 40 KKBB CCOC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 60060977 AAGUDLGDTITJRL-UHFFFAOYSA-N 596.445 5.229 5 40 KKBB COc1ccccc1/C=C1/CCC[C@@H]2C1=NN(C(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)[C@H]2c1ccccc1OC 97983815 MOAXSUQGWYIMQZ-SSJRBCOLSA-N 582.657 5.885 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n31)c1ccccc1CC2 104654963 PCCQHFMQQLBLBI-IMUCPKNRSA-N 575.646 5.804 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)NCCSc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 104708694 QMBCLBSDGFXKEV-UHFFFAOYSA-N 584.503 5.322 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 150343412 DCWVYNINOMSNGW-JLNIMSJUSA-N 681.542 7.546 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2-c2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 150391171 LTZWSYCOVBWQLO-UHFFFAOYSA-N 652.730 5.483 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1cccc2ccccc12 163762346 WNVIYFZUTLUVMT-ZJKBLPEWSA-N 651.744 6.968 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225072938 NGUKRXXNVXKCTB-PMERELPUSA-N 606.745 5.355 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225231522 JHAQGYSJIFAOHA-CLJLJLNGSA-N 529.578 5.012 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1F 225622782 VNJAXTJHYULFLP-FTJBHMTQSA-N 531.569 5.390 5 40 KKBB CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225635671 LSIMOHOOXFTBDB-LJQANCHMSA-N 607.516 5.039 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1ccccc1 408566745 GAPZUAPPBALQAI-HSZRJFAPSA-N 525.428 6.027 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1C 408650266 MCTNNIQAIFUZPL-LYBMHKGZSA-N 585.616 5.344 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729537 GOFMSPNYCJPEDQ-MBSKNMOHSA-N 690.561 6.852 5 40 KKBB COc1ccccc1N1C(=O)c2cccc3c(-c4ccc(Br)cc4C)c([N+](=O)[O-])cc(c23)C1=O 408756767 JIOALYZOVNWTAF-UHFFFAOYSA-N 517.335 6.295 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408830148 RTBHTJLMJUGULW-SOJUGJLBSA-N 745.995 7.352 5 40 KKBB Cc1ccc(C(=O)O)cc1N1C(=O)c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C1=O 408994111 FWLKAJQISWKKBA-UHFFFAOYSA-N 501.882 5.952 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccc(OC)c1 408998379 UJNDGXSNRSYTEH-NXYYLBPMSA-N 805.501 6.956 5 40 KKBB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)N(C)C2=S)cc1 409031146 JAMWHJIWINHDOR-HAHDFKILSA-N 523.998 5.830 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409092763 WLFCPUWRQOVUHR-CCVBWGSMSA-N 668.522 5.136 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl 409152527 JFYOETHIJSSWNA-VYYCAZPPSA-N 718.162 5.965 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc(Br)c(Cl)c1 409196790 XVSMQWRVTGCMFW-OCKHKDLRSA-N 589.811 5.873 5 40 KKBB CC(C)COC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409198738 DSMRLAJITBZOEC-UFWORHAWSA-N 603.369 6.404 5 40 KKBB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Cl)c1OCc1cccc([N+](=O)[O-])c1 409403059 YLTXGQSGOKUFFC-ZDLGFXPLSA-N 634.823 5.461 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 1857830 JSYSUCVPWDEWLW-NBJHOTSESA-N 576.008 6.104 5 40 KKBB CCN(CC)c1cccc(Oc2cc(NC(=O)C34C[C@@H]5C[C@H](C3)CC(n3cnc(Cl)n3)(C5)C4)cc([N+](=O)[O-])c2)c1 2176666 SZRHIRVDMDUWMW-ACTABUCYSA-N 565.074 6.412 5 40 KKBB Cc1ccccc1NC1=Nc2ccccc2N2C1=Nc1c(c(C)nn1-c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 2317880 GOEOIRGYQOBJBL-GDLZYMKVSA-N 539.599 7.193 5 40 KKBB Cc1ccc(C(=O)N2c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3[C@](C)(c3ccc([N+](=O)[O-])cc3)CC2(C)C)cc1 4182177 VUDNEBVJJALWRL-SJARJILFSA-N 656.826 10.421 5 40 KKBB Cc1cccc(NCc2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)c1 6442618 IGFBGANUIVKQMO-IBGZPJMESA-N 502.600 5.524 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1 8401098 ROMNXOXVJZECNH-UQDCTOEPSA-N 653.635 5.916 5 40 KKBB CN(C(=O)c1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 9371634 AYKGATHBELAMHH-UHFFFAOYSA-N 510.506 5.723 5 40 KKBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 12590010 QZKSKBRQQAKYDW-ROUUACIJSA-N 507.612 6.235 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)cc2[N+](=O)[O-])cc1 29491871 CKPGZANJGZNQLL-JJFYIABZSA-N 514.987 7.083 5 40 KKBB O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59331441 RMHDPBVIFGGZLY-UHFFFAOYSA-N 517.636 5.989 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 97980167 RVJNPKVPCKOEAF-BKIZBIRHSA-N 540.834 7.992 5 40 KKBB CN1/C(=C\[P@](=Nc2ccc([N+](=O)[O-])cc2Br)(C2CCCCC2)N2CCOCC2)C(C)(C)c2ccccc21 97981016 OUUZYNIYLCBNRY-JECFINHUSA-N 587.499 8.039 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O 100369904 ZOFXMCYESDXYQO-JJFYIABZSA-N 574.467 7.036 5 40 KKBB CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5c(Cl)cccc5[N+](=O)[O-])cc4)cc3)C(=O)[C@H]21 100391055 IBBQLBXXABFNKA-FIRPXTFZSA-N 558.974 6.099 5 40 KKBB COc1ccc(Oc2ccc([C@H]3C=C(c4ccc(F)cc4)Nc4nc(C(F)(F)F)nn43)cc2[N+](=O)[O-])cc1 102950036 KQTGVHSNZZBLHF-HXUWFJFHSA-N 527.434 6.201 5 40 KKBB C[C@H](Sc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 103082883 WRBQHVWVZJSWEH-INIZCTEOSA-N 569.108 6.260 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 104911568 QLHDOBCGTDNNMA-UHFFFAOYSA-N 561.294 6.176 5 40 KKBB O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 109943686 LZYPLVZZOPJPCE-UHFFFAOYSA-N 546.948 5.436 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223664105 WTEBVZRPDAQPBX-NLGDKJDOSA-N 646.741 5.484 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 224513391 FPTRKUTUUSPBMI-RPWUZVMVSA-N 551.422 6.198 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(Br)cc3)cc2)cc1 224782446 WDCQPMFUABJSFB-WDYNHAJCSA-N 628.577 7.871 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(F)cc4)o3)cc2)cc1 224785882 BPJMJSMTDBMDPC-WDYNHAJCSA-N 568.655 7.717 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225566730 LZHYXACCIHYEMV-MHZLTWQESA-N 588.557 6.691 5 40 KKBB COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C(=O)NC2CCCCC2)cc1 260800076 OOXMDPPTZPCARE-HSZRJFAPSA-N 687.215 5.635 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260950203 UVVLQNMNOKKYPZ-SSEXGKCCSA-N 675.635 6.065 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1)[C@@H]1CCCN12 408563516 AQPJLOZGEKRWCO-UQBYDPJISA-N 568.855 5.736 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408565609 LNEGAFYGSOXHAB-IYKJZBSOSA-N 566.452 5.257 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408566031 MQWCVMJOXWZOLR-ZCFIMDDYSA-N 535.600 5.482 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Cl)c1OCc1cccc(F)c1 408566791 GDLWEXOVKWTWOJ-VWLOTQADSA-N 573.046 6.465 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408568964 VKMXIAPQIYKJEE-NUWWLQTNSA-N 643.332 5.854 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F 408572759 RYPXVBGUZRNCSP-QHCPKHFHSA-N 607.889 6.828 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 408575077 VYKGXVTVWKUKBF-XMMPIXPASA-N 569.481 6.344 5 40 KKBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 408645350 KEYKROUHCITOMS-UHFFFAOYSA-N 527.986 5.608 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 408730272 GRCOSIZCSWCYSB-BPIVLGIGSA-N 735.815 6.381 5 40 KKBB O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408782638 XYLDXXZOFIJONR-OCDQFKQQSA-N 647.625 5.836 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408821007 BHSIFYIGWMIPPE-HZHHUVPKSA-N 728.621 6.600 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408831622 OMZANFWSNXQSND-WLJFKGHSSA-N 603.962 5.162 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408835628 OQMZEUTYZICADU-HRIDGTDGSA-N 692.588 5.755 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)c1ccccc1 408842224 JCVMCFCVDHVBSP-XDHOZWIPSA-N 548.960 6.425 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c2=O)=N1 408922378 DMVKSBJYWSBCJB-PKYOQBLNSA-N 620.127 6.524 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409013679 NGLMANOCGYFNJA-FYJGNVAPSA-N 585.354 5.274 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c2=O)=N1 409035650 JWEBZVNONHUALB-ZHMJVLCISA-N 759.284 8.273 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409072409 NIMABFXFDPIKGC-SRZZPIQSSA-N 556.344 5.177 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@@H]1c1ccccc1OC 409087720 JOAYKRLVDPMSQU-WWWKDLBZSA-N 628.776 5.480 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1 409094582 FCBGYYAVCZVBNR-OXDPQRGISA-N 678.796 5.861 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409150746 DNQLFCAPSXSDNZ-OEAKJJBVSA-N 584.006 6.140 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409172248 FEHVSTOBVSRIJG-CIAFOILYSA-N 619.799 5.928 5 40 KKBB COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409178774 NGVLMAIUXAZWJG-UHFFFAOYSA-N 558.930 6.207 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 409192251 BXFLYVDHQVNKEP-ORAUUZGKSA-N 632.648 6.737 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409273267 JNQQKMFFVAYDST-AFUMVMLFSA-N 563.544 5.400 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409273712 RNMUXVKVWNZODD-KEBDBYFISA-N 513.871 5.336 5 40 KKBB Cc1cc(C)cc(Oc2cc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)o3)cc([N+](=O)[O-])c2)c1 2739401 XJMBGKHVYNUKLO-UHFFFAOYSA-N 505.487 5.619 5 40 KKBB Cc1cccc2oc3cc(NCCCN(C)Cc4ccccc4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 9465247 DVTHQEZYWUTQBX-UHFFFAOYSA-N 503.602 6.183 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Sc1ccccc1 19855892 NKXLFWRQKUQGEA-UHFFFAOYSA-N 519.604 5.580 5 40 KKBB CCc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2CC)C1c1cccc([N+](=O)[O-])c1 31830092 SJGVDMBAYALBRI-UHFFFAOYSA-N 524.621 6.232 5 40 KKBB COc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1OC 100167825 VMTLPYHAJNLHCZ-PWHYTNLZSA-N 584.739 5.140 5 40 KKBB O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 100958427 QEFSHYHSPJJGHV-QQMBNGEASA-N 620.618 6.067 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 102085835 UETCURFXUHVMSX-YDYVRPLESA-N 598.995 5.638 5 40 KKBB CCOC(=O)c1sc(NC(=O)/C=C\c2cccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c(C(=O)OCC)c1C 102420196 RYKWHWPARBRCGI-KTKRTIGZSA-N 569.548 5.671 5 40 KKBB Cc1ccc2c(COC(=O)c3c4c(nc5ccccc35)/C(=C/c3cccc([N+](=O)[O-])c3)CCC4)cc(=O)oc2c1C 103083602 QDQCUWHDZIAMLK-PXLXIMEGSA-N 546.579 7.100 5 40 KKBB O=C(c1ccco1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 103526824 ITRYXDCMWFQUAB-YUUTYDCPSA-N 531.524 5.170 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1 103783991 CNMXRIKTRHXXJC-DAIZXWHWSA-N 584.672 6.381 5 40 KKBB O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 104473399 KAVOINBEALURMJ-UHFFFAOYSA-N 570.477 5.313 5 40 KKBB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105304632 OXMCLKRIXXHJLW-UHFFFAOYSA-N 525.542 6.063 5 40 KKBB COc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc2ccccc2c1Br 105318987 GIRGPPJGLMBTSM-UHFFFAOYSA-N 553.457 5.472 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 109038661 WSTBKRNXKZONTE-BIWBSIMWSA-N 557.628 5.090 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163624040 XFZDBWQVOKDGES-MFUBYVTQSA-N 757.368 6.897 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163678312 QHWDVWRSBZKAQI-ZFWDJNJRSA-N 729.949 5.832 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223767700 BCRAMXTWXRQMDW-MUUNZHRXSA-N 645.178 5.484 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224748145 ACMRXLTVFGZHJV-NRFANRHFSA-N 722.058 5.999 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225009949 FXKRKYCNUQOLHC-LJAQVGFWSA-N 592.718 5.046 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225093332 XHQVEFDGYNCVHE-HKBQPEDESA-N 683.614 6.262 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225679125 GBFKUTCOTKPXPP-RBTNQOKQSA-N 679.623 6.136 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260875419 BFHHNVWTBQOURA-UUWRZZSWSA-N 723.679 7.186 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 408565444 BWUNTTKMBVSJSA-SANMLTNESA-N 573.502 7.279 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 408567173 GQWPYXJTCFKPHB-DEOSSOPVSA-N 584.452 6.244 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408770552 YYFDHGGSXWEABN-KJPQBXKUSA-N 805.707 7.611 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408836627 TUHPBHLFABCRSJ-CRCYZHLCSA-N 608.072 5.407 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O)Nc1ccc(F)cc1 408877794 YNDDYGSMGJEMNS-GRSHGNNSSA-N 501.879 5.322 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)cc1 409088402 JDMAGHNCYSYQRG-YCBDPUBJSA-N 743.845 7.915 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409160716 YZEOQLPBAGYICN-FMCGGJTJSA-N 584.006 5.977 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409177527 BPFSGPXNUCKFNE-INJWXVQMSA-N 638.529 5.901 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409231462 JEPPJNCZJOXHPX-WSDLNYQXSA-N 552.381 5.346 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409270479 PYSAVINAKMWDDK-DHRITJCHSA-N 582.034 6.209 5 40 KKBB Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3c2=O)c1 1769112 PCRRHHAZMDBNCM-UHFFFAOYSA-N 533.842 7.002 5 40 KKBB O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1877116 DQHCMAFVXDDPHW-UHFFFAOYSA-N 541.177 5.212 5 40 KKBB O=C(Nc1ccc(C(OC(=O)c2cccs2)(C(F)(F)F)C(F)(F)F)cc1)c1ccc([N+](=O)[O-])o1 3198112 WXQQUVLNDRKAOT-UHFFFAOYSA-N 508.352 5.679 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1 6280740 SUWNIYRDDNJCIT-UHFFFAOYSA-N 508.991 5.480 5 40 KKBB COc1ccc(-c2csc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2)cc1Br 34967305 QLPGSKYQARMCTA-UHFFFAOYSA-N 500.330 6.002 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)sc3c2)cc1 59474826 BAPUTUPMUJNAEG-UHFFFAOYSA-N 520.636 6.485 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(S(=O)(=O)c1cc(Cl)ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 97948613 ZYMUFUGCMPJJTQ-UHFFFAOYSA-N 586.258 5.801 5 40 KKBB CC[C@H]1c2ccccc2-c2cc(Nc3ncnc(Nc4ccc5c(c4)-c4ccccc4[C@@H]5CC)c3[N+](=O)[O-])ccc21 102586157 RDCIJEUVXNEORQ-GOTSBHOMSA-N 539.639 8.917 5 40 KKBB CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3Cl)CC2)cc1 105025585 UIBOILHCSXOALL-UUILKARUSA-N 583.472 6.305 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 164007816 MITUGMPVKNPRRY-DKOMQPSQSA-N 813.433 5.556 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223803431 VNYCOJXXTIDEKW-FQRUVTKNSA-N 598.494 5.300 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(F)cc3)cc2)cc1 224782143 RWCKUJNFUJVZBO-FQLXRVMXSA-N 567.671 7.248 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225240344 DAGVWNFSETVZPA-VWLOTQADSA-N 665.596 5.748 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCC 408569192 JBJVCQWLSMOHET-LJQANCHMSA-N 541.855 5.899 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Br)cc1 408605965 HVSPIRJDRFVRHE-UHFFFAOYSA-N 583.220 6.552 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1Cl 408639523 FTRGUFSJVINSIQ-QKCPIRFBSA-N 720.991 6.588 5 40 KKBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408666015 ZVUHECDJHMUFFZ-JOLGZGHSSA-N 601.615 5.124 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4[C@H](C3=O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C3(Cl)Cl)c(C)c2)CC1=O 408672567 VLOINKKNHQVTQC-SUQKWDOBSA-N 738.191 5.821 5 40 KKBB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12 408720471 QLFBPYXHPNKIFL-ITWZUIQWSA-N 520.585 6.009 5 40 KKBB Cc1ccc(C(=O)CSc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4C(=O)O)cc3s2)cc1 408751071 WBOIRFXSCCNXAH-UHFFFAOYSA-N 507.549 5.438 5 40 KKBB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 408919224 UZKRASNYYGYUDN-ZRDDSIGQSA-N 509.743 5.104 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1cccc2ccccc12 408919429 XSNSWEAVLYOAIR-ACHQHTMYSA-N 649.725 5.837 5 40 KKBB COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 408939763 UGLVVIJSMVHUDT-NHDPSOOVSA-N 619.799 5.533 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409042475 LAHASSBSGZUJJZ-PNQAETMRSA-N 673.744 5.090 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1 409095900 BQWNBUFJUIGJGW-ZDZYTSRMSA-N 682.180 5.104 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)o2)c([N+](=O)[O-])cc1C 409270314 PDPYMNBZINXIMQ-CFRMEGHHSA-N 517.563 5.093 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409270741 HXQJXZWNVRQTNJ-IWIPYMOSSA-N 561.572 5.196 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409347110 MCAALULNMCCWQS-KEPJHFNWSA-N 739.588 5.597 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(Br)cc3Br)C2=O)o1 409399010 GYWPTXREKLUQOC-WSVATBPTSA-N 669.666 5.825 5 40 KKBB CCCOc1ccc([C@H](O)[C@@H](CC[C@H](C[N+]2(C)CCCCCC2)[C@@H](O)c2ccc(OCCC)cc2)C[N+]2(C)CCCCCC2)cc1 524734505 LKJLUMSRUYTZIX-DEQCHUKUSA-N 638.978 8.085 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 604418931 WCTYQKOJXDKZKL-UHLQNUQBSA-N 620.459 6.213 5 40 KKBB Cc1c(OC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)ccc2c1oc(=O)c1ccccc12 2149902 ZLLUWHMOKBDXQA-DEOSSOPVSA-N 512.562 5.777 5 40 KKBB biogenic CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n32)cc1 2683562 RGUBUFQMKLMUEY-LMSRTUJASA-N 575.668 5.077 5 40 KKBB CC1(C)O[C@@H](C(SCc2ccccc2)SCc2ccccc2)[C@@H]([C@H](O)COC(=O)c2ccc([N+](=O)[O-])cc2)O1 4991054 FHVAEXJDMFGHSI-TWJOJJKGSA-N 569.701 5.826 5 40 KKBB O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 12655676 YECXMHRWYKIAMM-UHFFFAOYSA-N 507.344 6.018 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)nc2c1 22822677 WHDRHYKDHYUDLK-VRXKTSEUSA-N 500.580 6.443 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@@H](c1cccc(Br)c1)N1C(=N2)C(Cl)=Nc2ccccc21 97951619 IWMZWRSNJHBMFR-JOCHJYFZSA-N 547.800 6.773 5 40 KKBB CCOc1ccc(OCc2ccc(-c3nc4c5sc6nc(C(F)(F)F)cc(C)c6c5ncn4n3)o2)cc1 98046180 MYTMRJJVSRDDPA-UHFFFAOYSA-N 525.512 6.452 5 40 KKBB Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc1)C2=O 100346370 KQJUGYUJPUOGPA-PMERELPUSA-N 571.545 6.033 5 40 KKBB O=C(NC(=S)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 100843283 DJWBQTLWVMFVNO-UHFFFAOYSA-N 532.628 6.852 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccc(Br)cc1 101086410 WRYGYZVYGPMPKV-NYYWCZLTSA-N 574.172 5.831 5 40 KKBB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 103090118 JJVCONSOSQJRFW-JOCHJYFZSA-N 581.828 5.098 5 40 KKBB O=C(N/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2c(=O)n1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 104310329 HXXUZVOFQNFAND-XYGWBWBKSA-N 582.960 5.670 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306629 UDLIGKPENYIKNX-UHFFFAOYSA-N 582.436 5.129 5 40 KKBB O=C(Nc1ccc(-c2nnc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)o2)cc1)c1ccccc1[N+](=O)[O-] 108662470 DYFJRBDWGPFQMS-UHFFFAOYSA-N 550.487 5.725 5 40 KKBB COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 112246512 NNYJWKKVGCQKMP-UHFFFAOYSA-N 582.034 6.192 5 40 KKBB Cc1cccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c1 113563618 SYMFRJMNEPLATG-ZWMLJNOUSA-N 606.660 5.737 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1Cl 150385345 ZLBRRDQOVNUSQK-YDZHTSKRSA-N 650.878 7.067 5 40 KKBB O=c1/c(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163225970 CBTYJJKRKVOJLG-QQMBNGEASA-N 681.524 6.690 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 163536450 LHUANEMLDSPYTO-QYJHSCKRSA-N 635.673 5.562 5 40 KKBB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@]1([C@@H]2C(=O)N(c3ccccc3)N=C2c2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)N=C1C 221965423 YRGNNBWEALFYLI-WFLWKIQJSA-N 625.645 5.410 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223477275 GVSPZCSGZFJTDD-WJOKGBTCSA-N 697.185 5.676 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)cc2)cc1 224756017 AQEHKNWULXQPQM-CONSDPRKSA-N 594.649 7.236 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(Br)cc4)o3)cc2)cc1 224786330 LIKVSGQYZSJTGA-URLMMPGGSA-N 629.561 8.341 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225406223 YWVYBCMCFUUSRS-YTTGMZPUSA-N 663.196 6.000 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225457794 CKHNDDZLJTWXFX-AREMUKBSSA-N 554.043 5.192 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225603175 AKACTDJFMNFFBQ-FQEVSTJZSA-N 651.569 5.356 5 40 KKBB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 225676873 PRPWIDVFMKSUFJ-NSOVKSMOSA-N 573.631 5.268 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1)[C@@H]1CCCN12 408563515 AQPJLOZGEKRWCO-TUPPOGIXSA-N 568.855 5.736 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1ccc(F)cc1 408566070 DTGOJAOURKRFSN-HSZRJFAPSA-N 612.308 7.473 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1 408603149 AYLIJURMHKLJDK-UHFFFAOYSA-N 524.742 6.053 5 40 KKBB COc1ccc([C@@H]2C=C3c4c(ccc5ccccc45)OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)cc1 408729661 BUJYPBHBXXAXMH-VQCLQPKNSA-N 560.562 5.587 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc(C)c(C)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1OC 408755938 GJTOEDZZPWCNCN-UHSYMONFSA-N 619.699 6.121 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408770300 VUERWKNSTSRBNL-IHWJNSMWSA-N 755.556 5.195 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408831909 PTTSJKGSFBAHHR-CBYYHRJHSA-N 722.923 6.244 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408940964 OWYIQJPMZSAQGV-YVBHXKDBSA-N 771.484 6.598 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n21 408946085 OUWXLKJWLSEHCF-QARYAGPDSA-N 638.496 5.126 5 40 KKBB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 408979353 BWQJPSLYRVJJEX-UHFFFAOYSA-N 667.798 6.973 5 40 KKBB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409015379 MOXRTCPWDXJNNX-VCHYOVAHSA-N 507.362 5.390 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c2=O)=N1 409031598 HKXVRMKKKWCDAF-GVMLUORFSA-N 652.498 5.187 5 40 KKBB CC(C)CN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c2ccccc21 409137753 YMZHCUGBOQGYBG-NHDPSOOVSA-N 586.280 7.242 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(N2CCOCC2)cc1 409149764 QCOSOBNIHIBLML-AFUMVMLFSA-N 707.481 6.680 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409194705 LNFNHXXOUMECQV-SRZZPIQSSA-N 593.452 5.571 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 409196404 ZXEHPRYRPPKGEB-XSTKMXAKSA-N 826.151 6.569 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OCC)c3)C2=O)cc1 409206717 WCVRAPMAVAZFFY-UCQKPKSFSA-N 564.576 5.255 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)c1ccccc1 409222899 FBPUKAXNDVLNEY-SSDVNMTOSA-N 607.360 7.088 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccccc4[N+](=O)[O-])c4ccccc34)C2=O)cc1 409270052 BMXUEUQUDSBIDS-QFEZKATASA-N 526.574 5.581 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409353370 JUGMTWUOSSYANB-FHQMNNMHSA-N 774.033 6.251 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)o1 409384620 DVWTXOMKWDYQMQ-SRZZPIQSSA-N 573.377 5.552 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cc(-c4ccc(OC)cc4)nc4ccccc34)cc([N+](=O)[O-])c2)cc1 2070187 AXMWXYCAVCWLEQ-UHFFFAOYSA-N 535.556 7.262 5 40 KKBB CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)N(C(C)=O)c1ccccc1-2 2094890 VSFNEOYYHHUPEF-SANMLTNESA-N 531.594 6.433 5 40 KKBB CCN(CC)[P@@]1(=Nc2ccc([N+](=O)[O-])cc2)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1c1ccccc1 8399547 NVPCWZGJXRJMBI-WZPMPHKESA-N 528.597 7.745 5 40 KKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc([N+](=O)[O-])cc4Cl)o2)N3)C1 8920789 ARQISLFCDLMEBJ-DMZKTXOQSA-N 500.020 7.540 5 40 KKBB COc1ccc(-c2csc(N3N=C(c4cccc([N+](=O)[O-])c4)C[C@@H]3c3ccc(F)cc3)n2)cc1OC 13382163 ABUPOKLQIPLXGG-HSZRJFAPSA-N 504.543 6.230 5 40 KKBB C[C@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-])c1ccccc1 100104669 KNBAWKPIEGKLSS-SFHVURJKSA-N 545.459 5.041 5 40 KKBB CC1=NN(c2ccc(C)cc2C)C(=O)[C@H]1C(c1ccccc1[N+](=O)[O-])[C@@H]1C(=O)N(c2ccc(C)cc2C)N=C1C 100931080 PTJCPAKFTSDBAM-VSGBNLITSA-N 537.620 5.990 5 40 KKBB COc1ccc2cc(-c3c4oc5c(C)c(O)ccc5c4nc4c3c(=O)[nH]n4C3CCCCCCC3)c(O)nc2c1 101412134 AZEBECKCVXEEIU-UHFFFAOYSA-N 538.604 6.853 5 40 KKBB Cc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103534639 RJPHSPNOPSCOST-NGTMZHBCSA-N 555.590 5.885 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 162377461 DQXGZWMQGGVCTL-UHFFFAOYSA-N 617.383 7.391 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(F)cc1 163537679 WKZDPSHKVLQRCC-OXDPQRGISA-N 666.643 5.683 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223319679 BXBRPKCSODVSJL-VWLOTQADSA-N 526.058 5.258 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223815852 ZZXORKOLHAXEGL-HRFSGMKKSA-N 588.557 6.690 5 40 KKBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 224845052 ZJKLXPDNTMKXTR-LJAQVGFWSA-N 545.705 5.835 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225186301 PNGVEBRWWDMGCX-FGZHOGPDSA-N 631.151 5.093 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1OC 225195789 HCBKHLGOUAMSMR-SVBPBHIXSA-N 542.621 5.315 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1F 225619469 XYNDXCBERBNLQN-IZZNHLLZSA-N 531.569 5.390 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 247289446 ALPBRAWMIUYVDR-CILKRHGOSA-N 559.553 5.590 5 40 KKBB COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408557166 NHAAWGNTBIYQBX-QHCPKHFHSA-N 549.830 6.377 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1 408565282 BNGSJMYZOVEIFD-QHCPKHFHSA-N 563.894 7.533 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCC 408569893 KEGJGKAPKUGXAD-NRFANRHFSA-N 535.464 5.863 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc(Cl)c1 408571077 NHEBOYJUIGRKRQ-XMMPIXPASA-N 603.926 6.998 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl 408571132 NSSNYGDNHGQGJU-HHHXNRCGSA-N 553.084 6.934 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408630024 MKGATMZRNVQQCD-UHFFFAOYSA-N 601.081 5.025 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 408640842 IZTGHCUOSUKSEG-VEYWIMSWSA-N 610.450 6.355 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408687398 UCKSZSWFIDQUCV-ZYNNUQKQSA-N 692.981 6.906 5 40 KKBB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 408720455 PRMPKDWDMZFUCI-KNWZFJHESA-N 506.558 5.619 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5c(ccc6ccccc56)C4=C[C@H](c4ccc5c(c4)OCO5)[C@H]3C2=O)c([N+](=O)[O-])c1 408733503 YPLJKYLMYNTFHP-PQIRLRHJSA-N 590.544 5.007 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408770088 SOMISEKMNYEMFN-MQIAMDAWSA-N 688.940 5.400 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1Cl 408824447 HRLBPJBCHNQMLC-ORVZPOCUSA-N 698.979 5.710 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408991239 ZKQSLHMXMWDHDG-FVUNBJOLSA-N 673.744 5.092 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c2=O)=N1 409039148 WLKIHDFDBSOYBX-UQDCTOEPSA-N 622.099 5.717 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409103584 AKJXVWQPNKNDTQ-YDZHTSKRSA-N 656.433 5.017 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409161399 UNNMBCVHWQFERH-SSDVNMTOSA-N 586.376 6.303 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl 409161821 BADOWPMABZGVHS-DHRITJCHSA-N 626.043 5.688 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 409173222 HSGZGDQSLJMEBZ-FMCGGJTJSA-N 614.499 6.333 5 40 KKBB COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(Cl)cc1C(=O)OCc1ccc([N+](=O)[O-])cc1 409181723 CWDXOWSPTSZHQL-UHFFFAOYSA-N 535.723 5.721 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409184417 XWVYNKRWFMUETI-LJAQVGFWSA-N 536.584 6.926 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 409190218 MPHZKFPHHVWRSN-GTIUJOIGSA-N 776.344 7.989 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409239433 MSKLJXPSJCUWIR-YDZHTSKRSA-N 650.878 7.067 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409265261 UBNUZCQAEWICJB-QRVIBDJDSA-N 645.431 5.462 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2Br)cc1 409372888 PNWNOEZSCXUJHQ-UHFFFAOYSA-N 605.352 6.192 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCc2ccccc2C1 409382878 WXHMKNATFHDRNK-CFRMEGHHSA-N 642.915 6.211 5 40 KKBB Ic1cccc2c1c1cccc(I)c1c1cccc(I)c21 1776010826 PKWVEKBTOHDNBR-UHFFFAOYSA-N 605.982 6.960 5 40 KKBB O=C(CSc1nc(-c2ccc(Br)cc2)nc2ccc(F)cc12)Nc1ccc([N+](=O)[O-])cc1 13400460 VHSAVPPRAUTGIY-UHFFFAOYSA-N 513.348 5.837 5 40 KKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 22842044 UUYJEODFLFUQIG-UHFFFAOYSA-N 517.365 6.324 5 40 KKBB CCCc1ccc(C(=O)N2c3ccccc3[C@H](N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)C[C@H]2C)cc1 29491441 OIAHKRFFTUUJSB-VDFUTYRLSA-N 559.666 7.774 5 40 KKBB CCc1sc(-c2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2CC)cc1Br 97945541 XSIWNUJXZHQQBB-UHFFFAOYSA-N 530.857 5.644 5 40 KKBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccc([N+](=O)[O-])cc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 97954698 WHORAWYKUZATPJ-IARZGTGTSA-N 549.539 5.174 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O 100227998 XOMNEQUAGHVMOT-NHDPSOOVSA-N 561.494 5.866 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 101242252 VOSIDTGGCYSXFF-NJYVYQBISA-N 518.740 5.606 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1 102788761 GBHQVSUWGZIPLU-CSJROMOCSA-N 571.655 5.264 5 40 KKBB COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(OC)c2)cc1OC 103997913 XBCKJXJJUQENJG-ZMDACUNMSA-N 557.603 6.066 5 40 KKBB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)N1Cc1ccccc1 136176408 FYJZSTHYPIYGTO-KKUQBAQOSA-N 511.559 5.370 5 40 KKBB O=[N+]([O-])c1cc2c(cc1I)[C@H]1[C@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150389186 LWWGOSNUXCTQNH-PDAJONCFSA-N 844.613 10.304 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 161986457 ICCMYCFGMNVWCJ-UHFFFAOYSA-N 671.048 5.234 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1OCc1ccc(Cl)cc1Cl 214905605 UPFONQLPRQPVBR-SSDVNMTOSA-N 545.400 6.726 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225477447 WAPURGANDXEJGJ-NDEPHWFRSA-N 614.526 6.378 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225561460 ZFHMKAISMODFQC-AREMUKBSSA-N 598.494 5.301 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225670046 JRGXRKUYDPIZGX-ZHRRBRCNSA-N 526.486 5.857 5 40 KKBB Cc1ccc(COc2ccc([C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccccc54)[C@@H]3[N+](=O)[O-])cc2Br)cc1 408565008 HCAQSLFQIVOPEH-HDEUIXPWSA-N 548.437 5.391 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408568380 UFAKGGMKOWJYIE-BQGAEBSMSA-N 564.436 5.091 5 40 KKBB Cc1ccc(COc2ccc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(F)cc3)cc2Br)cc1 408570877 MDVGLDUGXVNKQG-DEOSSOPVSA-N 557.445 6.475 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408577809 ZZJMISLAGVTWCC-RUZDIDTESA-N 628.505 6.561 5 40 KKBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408638504 CSUAXZMERQDCQK-KQKKPQMZSA-N 680.155 5.979 5 40 KKBB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 408720458 PRMPKDWDMZFUCI-QYRZKEDASA-N 506.558 5.619 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)c1ccc(Br)cc1 408750413 MNERRSBBPJTXPJ-UHFFFAOYSA-N 554.403 5.743 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408768394 IMTFCOPUQHGUNM-BHFPBWTASA-N 759.031 5.727 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 408773921 KAJBLTNXXAZCHR-WGJPBTIMSA-N 699.738 5.059 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408827052 UMNLKPFSPSXDHC-UPWSPCOFSA-N 723.558 5.877 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408835148 WIQRBWUNQKQGNP-ZJTZAHLKSA-N 770.558 5.719 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)cc1 408868714 AXIDSTHVOQWFMT-UUYOSTAYSA-N 586.395 5.750 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OCC 408934836 DICXDDGELMHKIS-SXSMZTLPSA-N 694.162 5.355 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408992019 PZRVWGSHRHEKMO-FUZBLHKMSA-N 659.764 6.546 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)c1 409099154 JUTFOGAKTJCRNI-QGMBQPNBSA-N 515.309 5.001 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 409192022 SLHQKXXTHYOOHU-XXNQQEORSA-N 799.674 6.816 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409265072 NOPPVMFZIUXWHJ-WYMPLXKRSA-N 707.930 6.814 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC 409275085 HZAZYZIMWOYNPF-KMCFWPMWSA-N 717.642 5.851 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5c(ccc6ccccc56)C4=C[C@H](c4ccccc4)[C@@H]3C2=O)c([N+](=O)[O-])c1 409332181 HAZCVPFKZUGZLC-NKKHJSFDSA-N 546.535 5.278 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@H](c1ccc(C(C)(C)C)cc1)N1C(=N2)C(O)=Nc2ccccc21 3309829 YGLRXDRDWQYECF-VWLOTQADSA-N 506.566 6.628 5 40 KKBB COc1cccc(-n2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc3ccccc3c2=O)c1 12619914 BYPFIBZGRFBHBW-AWEZNQCLSA-N 510.959 5.075 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 38172958 GGJBYXJPJCNEAD-UHFFFAOYSA-N 500.492 5.495 5 40 KKBB Cc1sc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n(-c3ccc(Cl)c(Cl)c3)c(=O)c2c1C 97951661 GIODCNNDPNFBEU-UHFFFAOYSA-N 535.434 6.010 5 40 KKBB O=C(COc1ccc2ccccc2c1)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 97983844 XXUYTCZNLKJVAE-OSBLPRQJSA-N 562.582 6.858 5 40 KKBB O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)/C(=C/c2ccc(Cl)cc2)CCC1 97984946 ONWYJRIGTWYJEU-YESAXYBHSA-N 574.489 6.698 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2cn(CCNC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc23)sc2c1CCC2 100820168 NXKVSWSFHOPSQL-UHFFFAOYSA-N 592.699 5.437 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3c4ccccc4cc4ccccc34)[C@@H]2C(=O)N1c1ccc(Br)cc1 102742061 IVXWRWYERCRTMU-AWCRTANDSA-N 549.424 6.807 5 40 KKBB O=C(/C=C/c1ccc(Br)o1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 103073025 ZXHRJZQBWRSTCN-OJLWIZQOSA-N 550.159 5.649 5 40 KKBB Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)c2ccccc2)c([N+](=O)[O-])c1 103090380 WCNZCPDKPYMDBE-SANMLTNESA-N 557.582 6.901 5 40 KKBB COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 103527142 AFMJNMFGJOBXNT-GCZHVTBPSA-N 571.589 5.585 5 40 KKBB CC(C)(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 105308083 NHLJWLXSVQMBSY-UHFFFAOYSA-N 543.649 6.428 5 40 KKBB COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 108323241 FVHIZFTWQNVANI-UHFFFAOYSA-N 528.550 5.033 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Br)[C@H]1[C@@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@@H]1C2(Cl)Cl 157678253 ACWWEAABJHNJCH-MTNDRXKUSA-N 763.168 10.100 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223354963 DJKJIRYHYAVUSB-FQEVSTJZSA-N 700.041 6.401 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223382972 FUJVRSKRZXNRAZ-VCTRWQRLSA-N 642.778 5.653 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223646317 ZMOQGIHSNRUBDN-PMERELPUSA-N 669.587 5.873 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl 224967875 RSPWJRYFNYCUQI-BJKOFHAPSA-N 505.987 5.620 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260880086 CAOMZXZZDQPTKF-PSXMRANNSA-N 716.832 6.335 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260964346 ZTIKQQHQYXFSTI-OAQYLSRUSA-N 710.047 5.713 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261048410 ZPVXMZOPBFDZQM-FNZWTVRRSA-N 714.068 6.789 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 408565010 AYNGYOLZPLKEOI-RUZDIDTESA-N 617.497 6.574 5 40 KKBB Cc1ccc(COc2ccc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(C)cc3)cc2Br)cc1 408569851 JYWYZPJMLAQCOB-RUZDIDTESA-N 553.482 6.644 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408641379 KESHBJLSNQPQCT-WCQFOESSSA-N 813.088 8.381 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408651092 GKMCAUQPIUALOM-HMZNYUFESA-N 627.480 5.843 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408651562 NLYKAAGRFLNNCA-GQHLQYEBSA-N 573.989 5.312 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409041398 VONILDYXQVGBLN-XSTKMXAKSA-N 757.059 6.497 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O 409178808 IPXHNLWAOLDUQS-UHFFFAOYSA-N 596.901 7.217 5 40 KKBB O=C1OC(c2ccccc2)=N/C1=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1 409194091 NQHFKUROIJCODP-ODLFYWEKSA-N 572.165 5.684 5 40 KKBB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C/c1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1 409194713 QROXUCXDYJUSNF-QGMBQPNBSA-N 616.174 5.412 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(Br)c(Cl)c1 409198546 HSSHQVWTYRHNJP-RGVLZGJSSA-N 575.828 5.536 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409255115 KMNRWTFDKXXXCV-ZMOGYAJESA-N 689.440 6.005 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)c1ccc([N+](=O)[O-])cc1 409269460 BWTYRWUAUNBJTI-UUYOSTAYSA-N 555.977 6.227 5 40 KKBB CCCCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3C)o1)N(C(C)=O)c1ccccc1-2 2113824 NYHOYSSJWKIHAS-AREMUKBSSA-N 531.594 6.352 5 40 KKBB CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3Cl)CC2)cc1 22847442 NLNOYWQJEFNWMU-UHFFFAOYSA-N 522.989 5.252 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 100362457 LREMJMFACUMHIU-WSDLNYQXSA-N 573.396 6.321 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc3c(c1)OCO3)[C@@]21C(=O)Nc2ccccc21 103543440 XHWJKRPGZBPKRW-IEMSDXTESA-N 599.599 5.570 5 40 KKBB Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3O)nc2c1 105305910 RIMLWLUNZMTJQQ-UHFFFAOYSA-N 531.594 5.534 5 40 KKBB O=C(Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 150484851 DXCKGMWDEDEVEI-VBSNSAIWSA-N 636.642 5.127 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 222623576 RSUCPJDXZZXOLA-AREMUKBSSA-N 554.043 5.048 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223820280 RUPZCTQPHKSMHN-HHHXNRCGSA-N 635.570 5.821 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)C1 224142935 SOYMDDDNYJLTRR-CIGLBZRHSA-N 588.133 7.563 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224260380 HVFYBJVWKOXWPJ-PMERELPUSA-N 636.771 5.282 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225309524 FDLPRKFNTIJJPB-OAQYLSRUSA-N 512.459 5.468 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225441302 OFIVKWXCHHNPMK-MUUNZHRXSA-N 578.507 5.989 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261092344 UERJVTQZCKVEHQ-JQJBXXCASA-N 741.694 6.969 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(F)cc1 408565024 AZGGPTPIENEYMM-QFIPXVFZSA-N 567.857 7.364 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 408565556 CKAQHYUKBAEHNP-VWLOTQADSA-N 570.027 6.225 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1ccc(Cl)cc1 408570342 KZLTXWISKQJQRA-QHCPKHFHSA-N 559.873 6.681 5 40 KKBB C[C@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408672084 ZIAWZAMDUYJYBC-XJXHNVKUSA-N 585.827 5.273 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733931 SDDZIBRGSYRZQB-FVUNBJOLSA-N 635.698 5.854 5 40 KKBB O=C1c2ccccc2C(=O)N1CN(C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(I)cc1 408839260 PPKWZBDUEUUTCA-UHFFFAOYSA-N 617.808 5.968 5 40 KKBB CCc1ccccc1N1C(=O)c2cccc3c(Nc4cc(C)c(C)cc4Br)c([N+](=O)[O-])cc(c23)C1=O 409001572 WOXUTGRFCIURFK-UHFFFAOYSA-N 544.405 7.234 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409016300 GSBVKIVGLAOZJC-KEBDBYFISA-N 521.389 5.780 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409086902 SAWNNDHZVROVEK-DYCDSJFESA-N 696.576 5.753 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 409094668 FTECEZDZCLWFGO-ASUJOLEISA-N 661.180 5.643 5 40 KKBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409121177 WVJSYCIFSJXHLV-LBFZPMSMSA-N 600.241 5.297 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 409147678 YOTYITQEYJLHDS-MXLMUYMQSA-N 714.225 6.064 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409246883 KOFPJMLYLOFWTG-WYMPLXKRSA-N 603.878 7.225 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 6194294 HLYRQRQLLBXRGF-UHFFFAOYSA-N 524.400 5.644 5 40 KKBB COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c(C[C@@H](C)OC(=O)c6ccccc6)c(c(c1C[C@@H](C)OC(=O)Oc1ccc(O)cc1)c23)c54 85481767 LSUTUUOITDQYNO-NHCUHLMSSA-N 790.774 6.981 5 40 KKBB in-vitro C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 97971275 JJSRVEBOAMBHPD-UZCNPRNVSA-N 603.550 8.575 5 40 KKBB Cc1c(C(c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C 101018234 XVKHKIDQVBYPQW-UHFFFAOYSA-N 575.625 5.631 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 103753062 KHAUPIDJSHABFJ-POKSHJSXSA-N 621.671 5.421 5 40 KKBB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H]([N+](=O)[O-])[C@@]2(Cl)C1 118926232 IEVVBUBYACFXQB-NGYRYOBISA-N 510.159 7.656 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5cc([N+](=O)[O-])c(N6CC6)c([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@@]21C 118928457 XQUAXGTVSUXCHW-BXIXIIIZSA-N 621.819 8.890 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc(OC)c1 150395261 XALUKAMYPHGNLA-KUSDHMTMSA-N 637.670 5.121 5 40 KKBB O=C1CCCCCCCC(=O)Nc2ccc3nc4ccccc4c(c3c2)SCCCCCCCCCCCCSc2c3ccccc3nc3ccc(cc23)N1 150424871 DFVRNRUJFIOROI-UHFFFAOYSA-N 771.109 13.496 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 163256188 ROPGMPVFPLMVAA-BPOMCQNBSA-N 645.737 6.213 5 40 KKBB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C 224769551 RHDOUGZMIMVBPG-IZZNHLLZSA-N 515.664 6.273 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc(F)c3)cc2)cc1 224781849 LPPHSOKSHIQWHC-WDYNHAJCSA-N 567.671 7.248 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 224793015 OLVZJVQJYOBEEB-URLMMPGGSA-N 595.662 7.486 5 40 KKBB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 224857519 DEWLQMBFMIWRGV-RPBOFIJWSA-N 502.552 5.444 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225299149 MBNZWARTXFTCNI-QNGWXLTQSA-N 712.869 6.505 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261022975 VZEGITIOURZSEE-HSZRJFAPSA-N 640.734 5.112 5 40 KKBB COc1cc(CNc2ccc(Br)c(Cl)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408559159 UNGGVVGXAGLQAJ-UHFFFAOYSA-N 634.608 6.937 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 408565699 CVACGRQRZFHXGX-DEOSSOPVSA-N 589.899 6.689 5 40 KKBB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408613500 USJPWPAANMLSPA-UHFFFAOYSA-N 510.852 6.768 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 408625067 WEDQEZZWIZEOMT-OFRZWCKSSA-N 697.143 7.454 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408643367 PGSOUMQTAJGSCN-UKILVPOCSA-N 601.999 5.049 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408684502 NPTFGWYOSSDENM-QYVZARNFSA-N 547.542 5.184 5 40 KKBB CCCC[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408690794 WRVYFAKAGPUOCG-LBPRGKRZSA-N 577.204 5.545 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408729536 CFCINEJXTGHEAC-SUCLOZJKSA-N 769.560 7.004 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408735409 ROQUUQDQYNSUEC-OBDCIHEFSA-N 674.688 5.204 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1Cl 408825100 JEXJTIDOQNJISE-ZFWDJNJRSA-N 703.398 6.355 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408827050 FRRRCLFTTVOUOU-MIUGUJGPSA-N 584.028 6.279 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)o1 408840962 GVGJPJCSZNHHDR-ITNPZBTBSA-N 563.610 5.934 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1 409108510 WJDUHKAQQSWNSB-PSAPEEBNSA-N 678.796 5.861 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409170967 YMORENKYPNLNTD-YSURURNPSA-N 608.541 5.098 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1cccc(F)c1 409239007 YIDFYYGQNDMFBM-VXLYETTFSA-N 501.879 5.322 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409266903 SBHGVJOFNMUMIF-MYKKPKGFSA-N 632.072 5.316 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)o1 409271984 XBOGCUIABRXGOW-SRZZPIQSSA-N 527.942 5.500 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccccc1Br 409329358 FIULAWOMQIDOQS-UUASQNMZSA-N 531.171 5.339 5 40 KKBB Cc1cc(NCCCCCCCNc2cc(C)nc3cc([N+](=O)[O-])ccc23)c2ccc([N+](=O)[O-])cc2n1 1561190 SERWLEHIUCZSFH-UHFFFAOYSA-N 502.575 6.691 5 40 KKBB COC(=O)[C@@]1(c2ccc(N(C)C)cc2OC)CCCN(C(=O)Oc2ccccc2[N+](=O)[O-])CCc2c1[nH]c1ccccc21 1647557 QTPRLNBFMVXMKS-JGCGQSQUSA-N 586.645 5.447 5 40 KKBB Cc1cccc(Nc2sc(C(=O)c3cccc([N+](=O)[O-])c3)c(N)c2-c2nc3ccccc3s2)c1C 3258410 ARIGDUKADBPOJF-UHFFFAOYSA-N 500.605 7.107 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc(I)cc(I)c1I 8427365 ZZVYAGSGKJBSAG-UHFFFAOYSA-N 790.915 7.216 5 40 KKBB CCOc1ccc(/N=c2\ccc3c(-c4c(Cl)ccc(Cl)c4C(=O)O)c4ccc(Nc5ccc(OCC)cc5S(=O)(=O)O)cc4oc-3c2)cc1 95100252 TVKRGBVJWKTJJB-LALXJTNGSA-N 719.599 9.230 5 40 KKBB COc1ccc(NC(=O)c2sc3nc(-c4ccc(Cl)cc4)cc(-c4ccco4)c3c2N)c([N+](=O)[O-])c1 98048885 NSKBXGOZQJKEFV-UHFFFAOYSA-N 520.954 6.628 5 40 KKBB CC1=C[C@@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5c(Cl)cccc5[N+](=O)[O-])cc4)cc3)C(=O)[C@H]21 100391053 IBBQLBXXABFNKA-ZRYIBQHNSA-N 558.974 6.099 5 40 KKBB O=C(O)CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccc(F)cc1 102884034 BPZSCUTZVAHZRY-ADXZGYQBSA-N 529.524 6.149 5 40 KKBB CCCCCc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103060466 ICZJZIATRJSWEA-PJERLBPMSA-N 611.698 7.184 5 40 KKBB Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nc3sc4c(c3c2=O)CCC4)c1 103070030 FJILTLYBXPWNNE-UHFFFAOYSA-N 524.599 5.331 5 40 KKBB O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)S[C@@]23c2ccccc2C(c2cccc4ccccc24)=NN3c2ccccc2)cc1 103757143 VEKLKUVDRNBFMF-DIPNUNPCSA-N 603.707 8.746 5 40 KKBB CCOc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 106745283 RWMBNUNLWDQIDT-SXGWCWSVSA-N 542.205 5.755 5 40 KKBB O=C(O[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 150361485 IJTANGJQVDVKFH-OCQWXUTQSA-N 689.761 7.450 5 40 KKBB CO[C@H]1/C=C\C=C(/C)C(=O)Nc2cc3nc4ccc(Br)cc4oc-3c(c2=O)C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@@H](C)/C=C(/C)[C@H]1OC(N)=O 150388489 GRRRVBFXHGBGOJ-XJSZHVSTSA-N 698.611 5.516 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 163198729 CGDMPVOOOBIKFA-AMQCUNCASA-N 662.680 5.945 5 40 KKBB O=c1/c(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163240530 SIPSWIHRHXIUDD-DXUGRCAZSA-N 729.450 7.331 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222914717 WADXJRZNIRRKMJ-AREMUKBSSA-N 542.463 5.856 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225347473 XNIXZJBKNNOPGP-XIFFEERXSA-N 642.778 5.655 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225484667 PSJNZXPPMPNZEX-UMSFTDKQSA-N 723.679 7.186 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225613878 DNFITGQMCMWPRA-SANMLTNESA-N 542.463 6.001 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc2ccccc12 408565129 BHBORXRBDPUIMP-HHHXNRCGSA-N 623.504 7.328 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 408568829 UUEKCJHSZCJKAC-ZVFGGPEJSA-N 568.457 6.026 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3F)c(Cl)c1)[C@H]1CCCN12 408570112 ZDRAXMIFDRZPFH-AWTIUKJOSA-N 507.949 5.113 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1C 408575022 VNENSVOGHPGIHH-VWLOTQADSA-N 577.921 7.842 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408623796 ZHKFYINEENOKCC-UHFFFAOYSA-N 594.045 5.630 5 40 KKBB CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1 408625849 YJBCOCLWCJUSGP-UHFFFAOYSA-N 532.334 5.738 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408634537 VXRLIYMMVBFTFQ-UCQKPKSFSA-N 552.565 5.377 5 40 KKBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408685166 OVKJJZAJFSPTEA-UOIPHLHCSA-N 682.127 5.290 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408727249 DTJFQUSXEDQMEX-AGSVCEGISA-N 750.432 8.853 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408825517 KDEPGVNRIQBIGJ-MIUGUJGPSA-N 682.582 6.380 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 408842238 JKCFNDINRMSXAP-VNOBABJFSA-N 757.606 6.428 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)c(OC)c1 408978480 MHDWFNOVCJMTSA-VGEDDRPUSA-N 692.750 5.387 5 40 KKBB Cc1c(Br)ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc(C(=O)O)c2)C3=O)c1C 408988607 DZTMOBFWYNVZBY-UHFFFAOYSA-N 560.360 6.370 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409041340 ZWZDRSMOACTTQB-FLGOMVIPSA-N 857.676 5.239 5 40 KKBB COc1cccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)c1OC 409133640 LYDWMVREBPRXJD-GDLZYMKVSA-N 509.562 5.973 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409143149 VCUOMXWIKMYNHR-QPJBPQEWSA-N 640.772 5.402 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409265052 NMFVXLAOBQPDNI-QRVIBDJDSA-N 645.431 5.462 5 40 KKBB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)CC1 409274547 PKILXYRPFBXTGQ-CIAFOILYSA-N 549.527 5.701 5 40 KKBB Nc1c(C(=O)c2ccc([N+](=O)[O-])cc2)sc(Nc2ccc(Cl)cc2)c1-c1nc2ccccc2s1 3243517 OZEYMKJEWJLGDZ-UHFFFAOYSA-N 506.996 7.143 5 40 KKBB COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1 3300286 NSIRFRZXIJJRHO-UHFFFAOYSA-N 504.542 6.049 5 40 KKBB CCCc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N2C=C(Cl)C=C(Cl)C2=N3)cc1 3309706 GNKFKVDVPSJTLG-NDEPHWFRSA-N 590.898 8.705 5 40 KKBB COc1cc2c(cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)oc1ccccc12 3368951 KMVAFBBQZIRTLX-UHFFFAOYSA-N 558.930 6.183 5 40 KKBB Cc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CN2N=N[C@@H]4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)[C@@H]42)[C@H]3c2ccc(C)cc2)cc1 8455513 MAJCDONOJJQSSW-PTNXZEDBSA-N 617.666 5.328 5 40 KKBB O=C(c1ccc(Sc2nnc(CSCc3ccccc3)n2-c2ccccc2)c([N+](=O)[O-])c1)c1ccccn1 98008009 NYXRZULHHWPEJF-UHFFFAOYSA-N 539.642 6.386 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 100746074 AQNHUPUJBBPFMH-MFCBUNOESA-N 592.073 5.743 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 101669757 IUMWQSBZCGWYSD-UMKORLBGSA-N 597.671 6.775 5 40 KKBB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2c3ccc4c(c3CC[C@]12C)CC[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C4 104131497 FNAULHYKPTWGRS-IDQOQUPESA-N 576.734 8.372 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1sc2cc(Cl)ccc2c1Cl 109825235 HBZFTJSMAVMAAY-UHFFFAOYSA-N 578.547 5.944 5 40 KKBB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](OC(=O)c4ccc([N+](=O)[O-])cc4)CC[C@]5(C)[C@H]3CC[C@@]21C 123233596 KZIYWQYTGHYKMG-FAGAHSKLSA-N 551.768 8.373 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150395689 XTCCTTXXZLGENP-KMCFWPMWSA-N 651.697 5.429 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223675749 DKECHGWHAQCHGM-OOXUFLSTSA-N 690.794 5.801 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223841170 LUUYSABRLCZAJN-AFMDSPMNSA-N 588.488 5.844 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225072977 NGUKRXXNVXKCTB-SSEXGKCCSA-N 606.745 5.355 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225639476 QUVCZMZQVUFVTR-MGBGTMOVSA-N 658.777 5.355 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 260902144 VBHKBCZBGIVMOC-JGCGQSQUSA-N 628.751 5.263 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408564708 FBFHUVXAZJUSBG-LCILEWSWSA-N 572.843 5.258 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 408565351 BTXGFUAWPHQMIZ-MHZLTWQESA-N 587.529 7.587 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1 408571407 OQGVPJJTGABQSB-XMMPIXPASA-N 682.822 7.842 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 408574544 VDSAROKIWVSTTD-DEOSSOPVSA-N 545.448 6.580 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408679457 FEVLQOKMNAFSNN-ZYNNUQKQSA-N 642.081 5.738 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733717 OXTLMVMDAUHDQD-KEFSUDQCSA-N 769.059 7.904 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408832886 QTMFGEYMOCRHRZ-ZJTZAHLKSA-N 757.457 6.209 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408845854 SAAXCNOVOKPTLX-HRIDGTDGSA-N 566.038 6.140 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1ccc(F)cc1 408917509 VXDHYDIYYYJUPQ-FOKLQQMPSA-N 573.396 6.321 5 40 KKBB COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408933086 HIOJYJKFGNONHW-NHDPSOOVSA-N 572.799 5.691 5 40 KKBB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c(C)c1 408986227 OQUCBMVDXKFVMF-MRXNPFEDSA-N 546.630 6.050 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c2=O)=N1 409038916 FWJSYZULFYKDPQ-UQDCTOEPSA-N 638.098 5.417 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Br)c(Cl)c1 409203973 AKHHVHQARTVQML-YVNNLAQVSA-N 681.746 7.027 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)c1ccc(Br)cc1 409220195 ZBYBDRDLHASVHG-LSHDLFTRSA-N 686.256 7.850 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)Nc1cccc(F)c1 409240175 OVVGTMFXCLLIPS-SSDVNMTOSA-N 586.395 5.750 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc(F)c(F)c1F 409275423 UIBXQHKMVQCUCZ-DJKKODMXSA-N 574.449 5.388 5 40 KKBB CCCCCCc1cc2c(cc(CCCCCC)c3cc([Sn](C)(C)C)sc32)c2sc([Sn](C)(C)C)cc12 1942106574 KOWZDAKWPDYSRJ-UHFFFAOYSA-N 734.292 10.605 5 40 KKBB O=C(c1cc2cc(Br)cc(Br)c2oc1=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 855077 WRSRNVXXLCMEAG-SFHVURJKSA-N 540.189 5.114 5 40 KKBB Cc1ccc(NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccc(Cl)cc2)cc1 907327 DLSIPTGQJBWKCR-UHFFFAOYSA-N 523.018 5.789 5 40 KKBB COc1ccc(NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2cccc(Cl)c2)cc1 925422 WYKVGRYSNGVSCM-UHFFFAOYSA-N 539.017 5.489 5 40 KKBB COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 1899141 OZVUGHFTDCZEOD-LJAQVGFWSA-N 555.598 6.893 5 40 KKBB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1Cl 3149035 ABBUTFPCNKGWIT-UHFFFAOYSA-N 504.782 7.598 5 40 KKBB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 8816340 CXKCYEOADNPKKG-YRNVUSSQSA-N 511.409 5.876 5 40 KKBB O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 14275306 QJIJWVWXLKHJGC-UHFFFAOYSA-N 500.561 6.258 5 40 KKBB Cc1cccc(Oc2ccc3noc4c5c(Oc6cccc(C)c6)cc(N6CCCC6)c6noc(c2c34)c65)c1 15319291 OXVQOPGZZBIZAZ-UHFFFAOYSA-N 515.569 8.515 5 40 KKBB CCCn1nc2ccccc2c1[P@](=Nc1cc([N+](=O)[O-])ccc1OC)(Oc1cccc(Br)c1)C(C)(C)C 96022516 SEBRMAOAYITIGA-QNGWXLTQSA-N 585.439 8.076 5 40 KKBB O=[N+]([O-])c1ccc(C2=NN(c3nc(-c4ccccc4)c4cc(Br)ccc4n3)[C@@H](c3ccccc3Cl)C2)cc1 100814411 JWWAJIIEXINAQD-HHHXNRCGSA-N 584.861 7.977 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@]21C(=O)Nc2ccccc21 102191050 SHEJUFCNSNOQPC-OHVVKICRSA-N 611.698 7.040 5 40 KKBB CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(O)=C2[C@@H]1c1cccc([N+](=O)[O-])c1 102641099 JVQPQRRIROLYSC-UVDDSOTQSA-N 527.596 7.864 5 40 KKBB CC(C)(C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 103091112 LXNWANBIFCJMCZ-UHFFFAOYSA-N 550.464 5.924 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n31)c1ccccc1CC2 104654957 PCCQHFMQQLBLBI-DDIUQFJASA-N 575.646 5.804 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 105302555 KNYIGJLXCBJIJD-UHFFFAOYSA-N 518.765 7.830 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1OC 150416951 LRAGYXRGNKCFFK-LXYLXTGBSA-N 718.504 6.289 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Br)c(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)c1 150436858 DHHIACLQAYFGJC-PNQAETMRSA-N 759.476 7.340 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 163742178 UBOCLPJCHJHVJE-JBVGNYNVSA-N 679.751 5.846 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224285405 NXMYTWBYVYMNEN-HSZRJFAPSA-N 504.052 5.348 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 225636914 MVTARSYRXZLRON-VSGBNLITSA-N 541.633 5.868 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260909195 FPFZTXWXIYKGRK-RLWLMLJZSA-N 663.168 5.622 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260938702 ZBTNSSNXOQUHJS-HSZRJFAPSA-N 645.178 5.258 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260965680 LRWQOXIOCLTOGV-IDISGSTGSA-N 601.125 5.166 5 40 KKBB CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC(=O)C[C@H](COC(=O)C[C@@H](C)CCCCCCC[C@@H](C)CCCC(C)C)CO[P@](=O)(O)OCC[N+](C)(C)C 263583591 MCQUNSGKFVLGIP-SCICJBAZSA-O 831.278 13.629 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)cc1 408564773 ABYRYRXUWABGSW-DEOSSOPVSA-N 555.454 6.036 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1 408565342 BTADWTYYZAFWMK-XMMPIXPASA-N 621.916 7.219 5 40 KKBB CCOc1c(Br)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC 408565559 CKMQMBBNAGWOEV-FQEVSTJZSA-N 521.437 5.472 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(F)cc1 408572091 QPIGCNWZCGYNJO-RUZDIDTESA-N 601.498 6.792 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)C(=O)O)o1 408633715 OSFTZABCRKJGPZ-WSDLNYQXSA-N 556.021 6.984 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(Cl)cc1Cl 408689805 ZDOXTTONBLZCQY-UHFFFAOYSA-N 813.862 7.488 5 40 KKBB O=c1/c(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408841827 HUZPALJUPFWYPC-XDYZZPCYSA-N 695.551 6.477 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O)Nc1ccc(F)cc1 408877145 QEUGGSLZCUGTIR-UUYOSTAYSA-N 541.944 5.641 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 408918343 JKKWOZZPNADWBP-YDZHTSKRSA-N 568.007 5.819 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409043947 AGFPNYNXJSISNF-CGWFDZAZSA-N 522.557 5.344 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)o2)cc1[N+](=O)[O-] 409217947 FZMMCUWKJMCTIO-SRZZPIQSSA-N 527.352 5.845 5 40 KKBB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409228570 ZIRHLMSDPUAKAO-WOJGMQOQSA-N 524.336 5.225 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409374300 LWYCVZKPICRKGP-BRJLIKDPSA-N 640.512 6.545 5 40 KKBB COc1ccc(OC)c(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 1859114 RACGIVBNIYXLHM-PMERELPUSA-N 585.624 6.901 5 40 KKBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2cccc(Cl)c2C)c1C 2772132 HKAVXJXHMCFVQZ-UHFFFAOYSA-N 501.948 5.608 5 40 KKBB Cc1ccc2nc(NC(=O)[C@@H](Cc3ccc([N+](=O)[O-])cc3)NC(=O)C(c3ccccc3)c3ccccc3)sc2c1 8424964 GYZULYYZZCMAMG-AREMUKBSSA-N 550.640 6.011 5 40 KKBB C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1[C@H](C[N+](=O)[O-])C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 8443144 SXJXXDFKTCCRQQ-DHKSZDRXSA-N 555.632 5.734 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@H]1C(c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)N(c2ccc(C)cc2)N=C1C 16292779 IZAQEVNAVAZTDD-ZVBBVAIHSA-N 509.566 5.373 5 40 KKBB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 59294341 YCRNJNQDMONGHD-UHFFFAOYSA-N 507.015 6.037 5 40 KKBB O=[N+]([O-])c1ccc2c(CSc3nnc(Cc4cccc5ccccc45)n3Cc3ccccc3)c[nH]c2c1 59474753 YQKRPZBLENHSLF-UHFFFAOYSA-N 505.603 6.752 5 40 KKBB CC(C)(C)N(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 64219757 QQVHIIKQSAHFLH-VWLOTQADSA-N 506.555 5.392 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)c1ccccc1C(c1ccc(Br)cc1)=NN2c1ccccc1 101070674 YKPHKPXHCRXXMK-GDLZYMKVSA-N 598.482 6.896 5 40 KKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 103083283 GFAUOYZAYXRHMO-SILNSSARSA-N 515.590 7.400 5 40 KKBB CC1CCN(c2ccc(C(=O)OCC(=O)N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccco3)cc2[N+](=O)[O-])CC1 103093371 AZBPIAOFMUZNAQ-RUZDIDTESA-N 550.999 5.612 5 40 KKBB CCCc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103332726 RPAXCEFFCPZUKA-WQDCPGLISA-N 597.671 6.794 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1 105249218 PNEHKGHBPYWUNW-UHFFFAOYSA-N 534.838 6.190 5 40 KKBB COc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O 105315427 QMRKXFVLGZBSAW-UHFFFAOYSA-N 544.589 5.104 5 40 KKBB Cc1ccc2c(c1)[C@](C)(c1ccc(Cl)cc1)CC(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 105513337 NTBDWXUBUDSTFC-NDEPHWFRSA-N 539.484 8.560 5 40 KKBB O=Cc1cccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)c1 150342507 RDBLHYFEBLZKNG-UHFFFAOYSA-N 642.762 11.136 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225206794 NJRIKAGBVMQVPV-QFIPXVFZSA-N 657.587 5.419 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 225285024 ZDSAWDMLKCSTRY-KAYWLYCHSA-N 543.605 5.320 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261092361 UFZVKGGUJJZBCZ-HPMVVLTCSA-N 741.694 6.969 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 408572110 QQHNBRROQJASOL-QHCPKHFHSA-N 584.312 7.878 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408650326 MIQHXHQAPMTBQN-JWQCQUIFSA-N 559.962 5.232 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917688 ZXNDVKVRORELPL-SRZZPIQSSA-N 604.822 6.734 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)o1 408924973 RYYSUSDLPNIEJY-MFCBUNOESA-N 605.694 5.086 5 40 KKBB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 409181918 GSGDJGDAEQAKKK-NDEPHWFRSA-N 579.392 6.700 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409274091 VFJZYPHHRWJMGH-RAWKODRKSA-N 628.154 5.672 5 40 KKBB O=C1Oc2c(ccc3ccccc23)C2=C[C@H](c3ccc4c(c3)OCO4)[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]3[C@H]12 409337210 YSUFMSKLONSPPO-PLOYFGMMSA-N 594.963 5.652 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409370771 DSPOAJQQXCYKRF-UHFFFAOYSA-N 547.571 6.843 5 40 KKBB Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 1845544 QHKWHOQKDBIHLI-WFPUBZAHSA-N 590.035 6.413 5 40 KKBB CCOC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)Nc2ccc(C)c(Cl)c2)c1C 6599486 RGBMUJYYVNBSBA-UHFFFAOYSA-N 515.975 5.916 5 40 KKBB CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@H]13 9033648 BHKWBTATPFLOTL-RBSGYFCJSA-N 520.626 5.610 5 40 KKBB O=[N+]([O-])c1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3ccc([N+](=O)[O-])cc3)S2(=O)=O)cc1 20096323 RSVAQDFZDJPHRE-UHFFFAOYSA-N 510.527 6.368 5 40 KKBB O=[N+]([O-])c1ccc(/C(Cl)=C\c2cccc(/C=C(/Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 68563522 BULADVQYBLGHOJ-LQGKIZFRSA-N 531.264 6.793 5 40 KKBB CC(C)(C)[C@H]1CCc2c(sc3nc(COc4ccccc4)nc(NCCNC(=O)c4ccc([N+](=O)[O-])cc4)c23)C1 100407226 QJOAPJQOYCXEIZ-FQEVSTJZSA-N 559.692 6.171 5 40 KKBB O=C1N[C@]2(Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)/C(=C/c2cccc([N+](=O)[O-])c2)S1 100849777 RCAFAKOWHZHLQX-PJDBNAKHSA-N 549.406 6.052 5 40 KKBB O=C1N(c2cccc(C(F)(F)F)c2)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@]2(C[N+](=O)[O-])CCCCCN12 102935552 LFVJTUDKUUSIBY-OAQYLSRUSA-N 530.425 6.140 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 112251838 OSFXAMJFJSUMKD-OGLMXYFKSA-N 540.597 6.962 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 139307059 ROAUQPNIBYLVTL-QHCPKHFHSA-N 624.705 5.404 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(Br)cc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 163212791 ICFNXIVTCUFVNJ-ITNPZBTBSA-N 624.516 6.558 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163635233 HDKBWCDNSPUHGC-RISWYLRJSA-N 766.976 6.643 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223498369 SKCVCNSEHSXRMS-NRFANRHFSA-N 526.486 5.857 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223855810 RHYYLDDNVRUECO-DCFHFQCYSA-N 588.557 6.690 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225366961 RIOHBLGKKONFBL-MUUNZHRXSA-N 580.081 5.725 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225623493 XRQGJMOSIOLDAA-HHHXNRCGSA-N 635.570 5.224 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260906820 FIRNDOQKRWHAFB-UXHICEINSA-N 621.543 5.429 5 40 KKBB CNC(=O)[C@H](N)CS[C@H](C)C1=C(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(C)=C5CCC(=O)O)c(CCC(=O)O)c4C)c(C)c3[C@@H](C)SC[C@H](N)C(=O)NC 407947263 DAWSJUFONOYCDF-KSZYUSJVSA-N 831.078 5.738 5 40 KKBB Cc1cc(Br)ccc1-c1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1ccc(C(=O)O)cc1)C2=O 408757896 RXFBHPLIMOZWPA-UHFFFAOYSA-N 531.318 5.985 5 40 KKBB Cc1cc(Br)ccc1-c1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1ccc(O)cc1)C2=O 408758214 WWNGZIYKQUDSIN-UHFFFAOYSA-N 503.308 5.992 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408991865 ZCFXZWGJCBARSS-FPWMYLJGSA-N 929.527 6.649 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409031542 HFQAWIZXMXXABP-BXMULHQWSA-N 757.059 6.497 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409081082 GDUGLADQCSTNFZ-YXDQGSNCSA-N 658.914 5.391 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409153624 LXTMCBQKRGNTEO-FMCGGJTJSA-N 598.431 5.620 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)ccc1Cl 409157674 VNJKZOBOOHVFBO-AUEPDCJTSA-N 728.883 7.674 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl 409163719 WWIZWFYWJUSNAV-OYKKKHCWSA-N 641.058 6.076 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409219772 QCGXNGFMEYVAIS-FOKLQQMPSA-N 571.970 5.650 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409226149 SIYILJFFESZGPD-WYMPLXKRSA-N 585.997 6.040 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409274073 UTPKLTCHRBLDEJ-FSJBWODESA-N 578.559 5.596 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409369611 RFIIISFGLSHIRZ-UHFFFAOYSA-N 582.016 7.497 5 40 KKBB CCOC(=O)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 2228318 OUQAJQQSRWOPBH-JOCHJYFZSA-N 527.514 5.237 5 40 KKBB CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)c1ccccc1n2CC 2301238 XMEIERBGQIUZBG-UHFFFAOYSA-N 542.687 7.554 5 40 KKBB Cc1ccc(NCc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 6245374 MLVIRLATMJBSAI-LJQANCHMSA-N 502.600 5.524 5 40 KKBB CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C 8221265 ABTRFGSPYXCGMR-AXXBKCDFSA-N 552.887 11.743 5 40 KKBB endogenous,in-man COc1ccc(OC)c([C@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)c1 8437177 SBSHUTWPBWBMOO-ZTLWMONSSA-N 710.606 6.586 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccccc1F 35306069 KOJQTCVPJBQGNI-OYKKKHCWSA-N 508.527 5.948 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OCC)cc2)cc1 102960847 DMGUHELCQUBQIA-XMIJKJSLSA-N 551.643 7.229 5 40 KKBB CC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 103769927 KAJGXXYJVAVOKC-UHFFFAOYSA-N 556.459 7.740 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nc4ccccc4[nH]3)cc2s1 103881251 ZEPAOCIBIHVXDO-UHFFFAOYSA-N 537.648 6.113 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 150396290 XIAJYQXCTFCRIK-JOHYPREOSA-N 649.725 6.236 5 40 KKBB O=C(c1ccccc1)N(c1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 150640723 YHHPSVJFJAMOTE-UHFFFAOYSA-N 686.680 5.574 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 163254417 MLQXPJWOULTMMF-WKIZKNSPSA-N 631.710 5.823 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 163749777 PORFSJKSBCWGDW-TZUCAZQYSA-N 658.689 5.539 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Br)cc1 214943637 XKEPDZXVBNLMIV-SRZZPIQSSA-N 579.350 7.405 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Br)C3=O)o2)c([N+](=O)[O-])c1 215048933 SANFBHDSXGRBEF-RGVLZGJSSA-N 515.341 5.862 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223862728 WRRNZRGAQRDUCU-NRUKRWIHSA-N 697.641 6.652 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224507436 JLJANIYBUBUOJK-LJAQVGFWSA-N 691.634 6.280 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(O)cc3)cc2)cc1 224783096 GPNNUWYPXLFAPR-URLMMPGGSA-N 565.680 6.814 5 40 KKBB COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224793689 DGKQMSRIYOAOKV-LOYHVIPDSA-N 608.701 7.365 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 225579294 LVJLNCGDFYQGGT-SXOMAYOGSA-N 527.606 5.560 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225691788 MNGXZVNXPFGXFM-FOIQADDNSA-N 526.417 5.011 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(Cl)c1 408568653 IDUUYHNRCHFCFE-SANMLTNESA-N 631.980 7.696 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408568710 ILBJJWBENOASTL-AHIAXLNJSA-N 621.315 6.302 5 40 KKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)O)o1 408633307 MLOBHRJWAVLWRA-JAIQZWGSSA-N 529.914 5.793 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408833968 UCRRFOFGYSCZMM-LCQSEVKBSA-N 725.561 5.207 5 40 KKBB COc1ccc(C(=O)[C@H](OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 409176862 ZMZJYWRJTAKYKT-HHHXNRCGSA-N 531.542 5.217 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 409178408 HIUULNXUOXUDFJ-SANMLTNESA-N 506.470 5.176 5 40 KKBB Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)cc3C2=O)c(C)c1 409180901 UFWCVZNZIPETBL-UHFFFAOYSA-N 522.513 6.162 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1 409188169 BODJZYAUROKTLE-FAVIKPSQSA-N 785.691 7.096 5 40 KKBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409199618 IFPDAAYALJNPIU-BUESGFEBSA-N 524.473 5.784 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 409203202 UZQOWNLCGJCEGO-SRZZPIQSSA-N 545.798 6.831 5 40 KKBB COc1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)c(C)cc1[N+](=O)[O-] 12542416 XIUZBCSSVRBPOW-HKWRFOASSA-N 523.545 5.742 5 40 KKBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 12564959 HBWHGPTVROTDKK-UHFFFAOYSA-N 500.747 5.608 5 40 KKBB CCN(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12660671 AESQVHHCZQBHOC-UHFFFAOYSA-N 516.019 5.109 5 40 KKBB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCCSc1ccc([N+](=O)[O-])cc1 41076815 ISEBUTSHXUWBMO-UHFFFAOYSA-N 509.609 5.618 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 100954382 VWXRDJZFOBWBRX-SJXDCSIJSA-N 608.651 5.798 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3c4ccccc4cc4ccccc34)[C@H]2C(=O)N1c1ccc(Br)cc1 102742067 IVXWRWYERCRTMU-ULNSLHSMSA-N 549.424 6.807 5 40 KKBB COC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(C=CC(c3ccc(Br)cc3)=NN2c2ccccc2)S1 102894324 BFNXQDCQLOZASF-VWLOTQADSA-N 564.421 5.532 5 40 KKBB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 103555414 JPSWEZZIEGDXBS-NLVFCZGTSA-N 615.642 5.858 5 40 KKBB CC(C)c1ccc2oc(-c3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3Cl)nc2c1 105222311 HYUNQYDBMGOAAK-GXDHUFHOSA-N 527.964 8.092 5 40 KKBB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 107974347 SOZUMNVGBDHOMQ-UHFFFAOYSA-N 502.040 5.356 5 40 KKBB COc1cc(/C=C2\N=C(c3ccc(C)c(I)c3)OC2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 150384121 OFBHGHFJTYUSBH-FBHDLOMBSA-N 696.235 6.045 5 40 KKBB O=c1sc2c(n1-c1ccccc1)S[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H]2c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl 170620925 RIYNVJGXIKZELI-WAGMSWJSSA-N 577.127 7.692 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223726357 BCEBGWNSNMNXHE-HHHXNRCGSA-N 659.205 5.793 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223818734 WBMSSMKFRKZIRC-JOCHJYFZSA-N 526.486 5.859 5 40 KKBB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1)c1cc([N+](=O)[O-])ccc1Cl 224938868 WQOOAMYLBSWKHT-UHFFFAOYSA-N 536.009 5.719 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl 225251325 SPSLTJYALYLSPA-IZZNHLLZSA-N 563.039 5.196 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225438744 XENOJGXXVRUMBI-JGCGQSQUSA-N 663.196 6.000 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260900605 DSHJTEQJXBZVSR-PMACEKPBSA-N 621.543 5.429 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260911628 FVDDCPBZDIBNNF-IBVKSMDESA-N 714.068 6.789 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261109042 XOBWNDXXSNWXKQ-GOXGLGGOSA-N 646.741 5.484 5 40 KKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408543626 PMBGJRARAOJXLC-TWGQIWQCSA-N 504.293 5.710 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 408569419 WQNOBZFFNMFFJY-RCDAXMBGSA-N 549.627 5.872 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1cccc2ccccc12 408575840 WXMHCXBYOZGWQH-NDEPHWFRSA-N 544.608 6.566 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 408638039 BOJITOKUFAGGSA-RPWUZVMVSA-N 636.444 5.702 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc([N+](=O)[O-])cc1 408641889 LGMGMKTWXPTHQN-UHFFFAOYSA-N 601.613 6.398 5 40 KKBB C[C@H](NC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)N[C@H](C)c4ccccc4)c3cc12)c1ccccc1 408720544 UCALUVFLTQBFEV-HNRBIFIRSA-N 626.760 9.099 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408731003 XQGIIDWFJMKUOM-HQNZAIDJSA-N 734.614 7.251 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 408774574 WMZIMQBODCNLIX-QQMBNGEASA-N 884.490 6.579 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408825623 ITIWUWOSNHRLTF-NBQDTTAVSA-N 643.718 5.081 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408987719 QXNNPYDOPBGPAN-AOLPSBPOSA-N 658.914 5.391 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 408999590 RJDQCISWZONASP-DFXMODJXSA-N 694.747 6.266 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c2=O)=N1 409043685 ZBAXGHVTXOMXAP-FSIJRYPJSA-N 803.735 8.383 5 40 KKBB Cn1c(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)nnc1-c1cccc([N+](=O)[O-])c1 409136594 XRFPBBZLVHDPMN-UHFFFAOYSA-N 531.417 5.007 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1 409155107 BQRYFCPENAGOSK-YDZHTSKRSA-N 564.532 5.369 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409158527 TWMKJKLJRNASPP-ZVHZXABRSA-N 673.485 6.161 5 40 KKBB O=C(c1ccccc1)[C@H](OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409176386 MEQGUQGXEFGTHH-JGCGQSQUSA-N 527.576 7.097 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409181497 BZHGTXVVSCQPDJ-UHFFFAOYSA-N 520.881 7.098 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O)Nc1cccc(F)c1 409229454 PFLDCUSCGOFLRO-CVKSISIWSA-N 557.559 6.141 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(F)c(F)c1F 409276018 NWMANZGUYWKETP-DJKKODMXSA-N 574.449 5.388 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C 409340823 AZNQHYPOHNZPRS-NRFANRHFSA-N 531.038 5.026 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 100301400 WQWCFHZOHQWOHW-QHHAFSJGSA-N 549.342 6.514 5 40 KKBB Cc1nnc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2cccc(C(F)(F)F)c2)s1 101139967 MMJGLQSEPNUCMC-UHFFFAOYSA-N 520.518 5.357 5 40 KKBB Cc1cccc2c(=O)c3c(O)cc(OC(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)cc3oc12 101371190 DSPLJSUCMAMKPY-JOCHJYFZSA-N 528.561 5.483 5 40 KKBB Cc1ccc(-n2nc(C)c3c(C(=O)N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)cc(-c4ccccc4)nc32)cc1 103022061 MUVAJPXPXAOVNZ-UHFFFAOYSA-N 532.604 5.575 5 40 KKBB Cc1ccc(S(=O)(=O)c2c(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)n([C@H](C)c3ccccc3)c3nc4ccccc4nc23)cc1 103855336 AKGSKXOGTSQKBX-VEYZUFFBSA-N 617.687 6.895 5 40 KKBB CC1=C[C@H]2N(c3ccc(C)cc31)[C@H](C(=O)c1cccs1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 104054144 KSFYBRZTBGDRCL-NBJHOTSESA-N 575.646 6.211 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 104677373 GTBYEFRCDZXIPH-DDIUQFJASA-N 613.736 6.487 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 105968846 BMFSDEJRCNJAED-CFRMEGHHSA-N 559.427 7.116 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Cl)[C@@H]1[C@@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150389165 KSAWMTRQDBHJKO-MXLIJDCISA-N 753.162 10.352 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 150502485 YZVBDKSNARAFSN-FVUNBJOLSA-N 762.025 7.073 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccccc1 163755432 QFNWDXVVWWRMLB-WUVMUOLMSA-N 666.759 6.831 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223350751 MYQFYBWBGKMKIZ-NRFANRHFSA-N 665.596 5.748 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 224653461 ZBRCTXJOOASUEQ-IHLOFXLRSA-N 564.623 7.228 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225271687 OBIVZFPKJZYEOM-QFIPXVFZSA-N 552.455 5.545 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)o1 225357394 PDJLOYFDVACVKP-KAYWLYCHSA-N 530.606 6.223 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 408564842 ANYIQUSPBCUVPS-VWLOTQADSA-N 570.027 6.225 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408565610 LNEGAFYGSOXHAB-TUDQOENJSA-N 566.452 5.257 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(C)cc1 408566046 DPPSJVZVHRTQBC-MHZLTWQESA-N 518.639 6.280 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408568330 TWPMLYBKOOEWNA-DEEGFUGBSA-N 534.012 5.372 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1 408577447 ZNMXAOCSGRWLIX-HSZRJFAPSA-N 547.439 7.019 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408618980 FMMWUELDNIDSAI-AGSVCEGISA-N 705.981 8.744 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(I)cc1 408916701 GHQKGALFEBJCQW-YDZHTSKRSA-N 742.329 7.018 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 409105943 KDTGFMKXCIKEOT-ZVHZXABRSA-N 689.484 5.861 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409223324 FGTNBADTEHHKOZ-YDZHTSKRSA-N 521.957 5.627 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1F 409268367 SNFGKHAYLKKPAI-FSJBWODESA-N 648.406 5.845 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc1Br 409350494 RTHXBWPGLXJSHV-KXFIGUGUSA-N 543.208 5.448 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl 409355697 DLQPCUBONSWXEV-LLVKDONJSA-N 557.847 5.388 5 40 KKBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 2424864 SDIDCVQYPGZARZ-UHFFFAOYSA-N 537.623 6.881 5 40 KKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 14275541 OQXFJNLOOIJILW-UHFFFAOYSA-N 504.568 5.970 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 19856255 DONPLPPAIXHVNV-UHFFFAOYSA-N 501.564 5.551 5 40 KKBB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccccc1Sc1ccccc1 19856621 XZJOBOYNQNJLBB-UHFFFAOYSA-N 519.604 5.580 5 40 KKBB CCN(CC)c1ccc2c(c1)OC(=O)N(c1ccc(Cl)c(Cl)c1)[P@@]2(=Nc1cc([N+](=O)[O-])ccc1C)N1CCOCC1 97984307 UXTANUOUFOSRKN-RWYGWLOXSA-N 618.458 7.396 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccc(F)cc1 100260294 USWBZOVRYAFRHL-UUYOSTAYSA-N 543.370 6.312 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@H]2C(=O)N1c1ccc(Br)cc1 101076347 VQGSKWNCKIQRPO-DSNGMDLFSA-N 594.805 6.322 5 40 KKBB O=C(O)CCC(=O)N1N=C(c2c(O)nc3ccccc3c2-c2ccc(Cl)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 102327669 LMEQUIJJMOJSMJ-QHCPKHFHSA-N 544.951 5.712 5 40 KKBB O=C(c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@H]1c1cccs1 102928656 PSKLIOBANDLWFU-UVHUTRAPSA-N 579.660 5.899 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N(C)C(c1cccs1)=N2 102940870 SAJRBOZHRYXRBS-QNGWXLTQSA-N 547.581 5.495 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 150345347 AYBBACVJSNRSCZ-UCQKPKSFSA-N 659.458 5.852 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1c(Cl)cccc1Cl 214708007 MVPFIWCOJBNQEM-WSDLNYQXSA-N 515.374 6.717 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223602976 POMKOXPBVOIZKA-IBVKSMDESA-N 508.018 5.346 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225300456 IXQUJKJTFUJSLV-DHUJRADRSA-N 686.831 5.972 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225343626 QOKXDWUFDYUNGL-NDEPHWFRSA-N 533.694 5.693 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 225658668 IIZPLDIMZRHFSD-KAYWLYCHSA-N 527.606 5.560 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260849643 DAEDLPGGDATNTM-MGBGTMOVSA-N 723.248 5.934 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261113338 YCGYYNIHBFQFTB-GOXGLGGOSA-N 663.196 5.998 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 408568197 HWIUDJVQGOZHSP-RUZDIDTESA-N 587.471 6.565 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408569988 KMSXQUSGWZTZHT-SFHVURJKSA-N 550.236 7.233 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CC2)c([N+](=O)[O-])c1 408576922 YVRQJGKDBYLCHX-UHFFFAOYSA-N 508.383 5.255 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C)cc1 408605672 GJOCAOOGHVQIET-UHFFFAOYSA-N 518.351 6.098 5 40 KKBB COc1cc(CNc2ccc(Br)cc2C)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408614061 XWMVTHNWBNSFFV-UHFFFAOYSA-N 614.190 6.592 5 40 KKBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408672046 UXWYXYISOJLTFA-CYBMUJFWSA-N 637.259 6.584 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408734274 VZXFJWYCERHNCL-XWJRCALBSA-N 672.897 5.111 5 40 KKBB O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408778728 XRJMFMTUZDCMHX-SOJUGJLBSA-N 763.895 7.984 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)cc1 408850545 BRONIUSKFTYNHJ-WOSHRIRTSA-N 620.687 5.749 5 40 KKBB COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(c4ccc([N+](=O)[O-])cc4)N32)ccc1C 408986710 DBKTWOCZXGIOEI-SANMLTNESA-N 512.591 6.283 5 40 KKBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccc(C)cc3)=C2c2ccc(C)cc2)cc1[N+](=O)[O-] 409058763 SWLHAPHNWGIULJ-RCVOXKFNSA-N 688.736 7.326 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409089843 KMRMJXVFFYSBDU-OOIQZMFUSA-N 510.977 6.289 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409107465 VSYDCYRRYAQPHO-WOJGMQOQSA-N 554.362 5.233 5 40 KKBB Cc1ccc(Cl)cc1N1C(=O)c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O 409179357 MGVXDWPTNAFDJQ-HHHXNRCGSA-N 554.942 6.138 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409187658 AKDZGAOVGQBIKW-KEPJHFNWSA-N 751.674 6.738 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 409192306 CFNHGHTYGRZZNF-ZTJHJZSNSA-N 767.673 6.357 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 409247375 BWASOVFGRVNGGJ-FSJBWODESA-N 664.861 6.360 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)c1 409276619 UHHUNZHKAMADDY-QRVIBDJDSA-N 554.049 6.691 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O 409381698 VNXAEZFQKJRXIT-SFTDATJTSA-N 628.434 5.415 5 40 KKBB c1ccc2c(c1)[C@@H]1C[C@@H]2[C@]23c4c5c6c7c8c9c(c%10c%11c2c2c%12c4c4c%13c5c5c7c7c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c%25c%15c(c%15c9c%10c9c(c%24c%10c%22c(c2c%11c%109)c%21c%12c4c%20c%18c%13c5c%17%14)c%25%15)c87)[C@@]%162[C@@H]4C[C@H](c5ccccc54)[C@]%23%192)[C@@]613 504656679 HQCAMIYWHBVPQE-GZJKOUJPSA-N 952.986 19.427 5 40 KKBB in-vitro Cc1ccc(C(C)C)c(Oc2cc(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3cccs3)N4)cc([N+](=O)[O-])c2)c1 1309760 IUUDJLOPKKTQAY-BWKNWUBXSA-N 585.608 7.990 5 40 KKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H](NC(=O)OCc3ccccc3)c3ccccc3)ccc12 2095393 GQUSRDZBBCCNIZ-HHHXNRCGSA-N 523.541 5.836 5 40 KKBB biogenic COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)c(C)nc32)cc1OC 2251745 WQOPIXPULJPROQ-UHFFFAOYSA-N 519.605 5.219 5 40 KKBB O=C1S/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 9233475 JYIPGILPVSTMHH-WSDLNYQXSA-N 515.374 6.717 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 33358243 MRRFUPGJFYRRNF-LRUGRNCASA-N 626.094 5.213 5 40 KKBB Cc1ccc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccc(OC(F)F)cc2)cc1 44088221 MCODUFMKVVVQFI-UHFFFAOYSA-N 510.522 6.088 5 40 KKBB CC[N+](CC)(CCCCCC[N+](CC)(CC)CCN1c2ccccc2Sc2ccccc21)CCN1c2ccccc2Sc2ccccc21 95858420 IXJYLRNAFMNQEJ-UHFFFAOYSA-N 681.072 10.866 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 100311537 GRDZIDLQHCGLPF-UHFFFAOYSA-N 579.388 6.258 5 40 KKBB O=C(COc1ccccc1F)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 102928509 CUGWAOBSKLDCJW-DWPLISESSA-N 530.512 5.844 5 40 KKBB Cc1ccc(C2=NN(C(=O)COC(=O)[C@@H](C)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 103137231 ZPYUTFTYUANONS-ZHRRBRCNSA-N 544.486 5.237 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 103913903 FHLWQHUQNFHIQG-QTTRZTASSA-N 537.622 5.548 5 40 KKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 104221753 MJWSSNOBYTVUBU-UHFFFAOYSA-N 551.397 5.817 5 40 KKBB O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105352507 CBAKXUVGSRPOIF-UHFFFAOYSA-N 543.443 5.412 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 208360817 IPJCPBKYMNNWHX-YLKQWKBVSA-N 625.659 5.137 5 40 KKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccccc1Br 215094203 BBDBRYCXVYMULE-VXLYETTFSA-N 519.760 6.507 5 40 KKBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 222552975 JHLTYJBKHMMFRB-NDEPHWFRSA-N 533.694 5.549 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224567286 XODKCNOVVBXUEK-AREMUKBSSA-N 635.570 5.222 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225496951 UUENDQGITZJEDJ-NDEPHWFRSA-N 614.526 6.378 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)N1CCCC1 408551616 ORLWZNQHRPBMSY-YBFXNURJSA-N 625.295 5.358 5 40 KKBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]12 408642736 FCUJLDVJNMZUDT-NQTLKNRLSA-N 573.989 5.478 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408686898 SQJPKEGBXPPTMF-TUSFPTNYSA-N 658.536 6.252 5 40 KKBB Cc1c(Cl)cccc1NC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408750969 URKLCVDJNZDQLP-UHFFFAOYSA-N 538.994 5.698 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)S2)cc1 408776438 ODOCRLMGICWFSJ-LWRBDHNKSA-N 648.435 6.071 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408828036 NDYLQECSWWPXBV-HRIDGTDGSA-N 648.137 5.646 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408880574 JUFYLBZBZSZUIB-UUYOSTAYSA-N 571.970 5.650 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1ccc(F)cc1 408918007 DZCBVMDPKQVANU-WYMPLXKRSA-N 587.423 6.711 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408920970 MERRMOPXUXPNDJ-QARYAGPDSA-N 593.658 5.216 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(Cl)cc5Cl)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408933992 CDOMTJZXKIOGKL-OSOKTGDCSA-N 763.450 6.372 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)c(OC)c1 408981151 ZWVRFXUQIBCSDR-OBDCIHEFSA-N 657.104 5.713 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1 409094647 FHUSMPKTTSJDTF-XGLKJEJJSA-N 648.770 5.847 5 40 KKBB Cc1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 409114602 KLECLPTTZWTOJI-UHFFFAOYSA-N 520.221 6.928 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc34)C2=O)cc1 409237665 AZMDJIVZLCSFDS-JVWAILMASA-N 569.595 6.011 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409272192 MHDKGGINQQEGBI-JVWAILMASA-N 569.595 6.011 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C(C)C)cc4)C3=O)cc2)cc1[N+](=O)[O-] 409345643 INTIWZHBDBMZRB-QFEZKATASA-N 595.655 5.469 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409360786 PYHPKPYNQRYKQU-CCVBWGSMSA-N 866.428 5.711 5 40 KKBB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(Br)cc1Br 409399410 IMRMOYJTAQFJBU-UWVJOHFNSA-N 679.274 5.570 5 40 KKBB CCOC(=O)c1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)c1 2252739 GHNJLTYUBJCVRG-UHFFFAOYSA-N 523.980 5.470 5 40 KKBB Cc1csc(Sc2ccc(C(=O)O[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)cc2[N+](=O)[O-])n1 13098269 AZFUJSBBKJYTOV-SNVBAGLBSA-N 513.384 5.397 5 40 KKBB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16194519 PVYJVOPSURUXQU-GORDUTHDSA-N 504.292 5.291 5 40 KKBB O=C(O[C@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 33355072 VBDBDZHLJKDSSB-DVQSUWLUSA-N 569.610 5.864 5 40 KKBB COc1ccc2cc1-o-c1ccc(cc1)-c=c-c1cc(c(OC)cc1CCN(C)C)-o-c1c(c(CCN(C)C)c(OC)c(OC)c1OC)-c=c-2 85867477 ZMVLERJQWHZABW-UHFFFAOYSA-N 680.842 8.354 5 40 KKBB biogenic O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 97949085 VAVPYYZCKUMCKD-AOYPEHQESA-N 642.432 7.747 5 40 KKBB Cc1cccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccn2)[C@H]3c2cccc([N+](=O)[O-])c2)c1 97952407 BUEXHOKTKWJLCA-MUUNZHRXSA-N 540.587 6.588 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 100339559 ICHKXUVZIURLRE-LSHDLFTRSA-N 582.915 7.444 5 40 KKBB C[C@@H]1CN(CCCNc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C[C@@H](C)O1 101025702 ZPTUJUIJPSRSCZ-WOJBJXKFSA-N 539.676 6.150 5 40 KKBB Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c2ccccc2)c([N+](=O)[O-])c1 103083962 WKFVVCWZPQNAGV-HHHXNRCGSA-N 558.015 7.370 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n31)c1ccccc1CC2 104655237 QPAQUYDYZNHCSJ-XNMXCUJWSA-N 601.684 5.815 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105320502 BHBZRSRXUYUJHX-UHFFFAOYSA-N 557.788 5.908 5 40 KKBB CCc1ccc(C(=O)N2c3ccccc3[C@@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3)C[C@@H]2C)cc1 105513412 YYXQXAHVKXATHR-LGGPFLRQSA-N 610.135 8.852 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2=O)=N1 163453783 RZSZITODUJXZSK-DDIUQFJASA-N 656.717 6.311 5 40 KKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1 164460875 JOIBUOMMWBKBRF-UHFFFAOYSA-N 631.580 7.283 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 214849035 OPNXKTAFRPILEO-AUEPDCJTSA-N 624.296 7.488 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c(Cl)c2)o1 224146494 HHDGKRXRCXNLAO-VKLFLUPASA-N 618.159 7.571 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224555437 OZIDMLKWVHDEPC-RUZDIDTESA-N 542.463 5.999 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)cc1 224787897 KQJVKRRBSKDQGQ-URLMMPGGSA-N 619.555 8.885 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225040829 ZOBJNNBDWDHAGH-HKBQPEDESA-N 683.614 6.262 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225224331 SQLIPKGOLLIDHC-LJAQVGFWSA-N 661.608 6.353 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225725425 FVUYATOVOSXAJO-KSFYIVLOSA-N 526.486 5.857 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 408565287 BPPHVJDBYFMGKJ-HSZRJFAPSA-N 563.438 6.719 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1ccc(F)cc1 408570344 LAIWRBOJACNUBL-HSZRJFAPSA-N 533.412 6.711 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1F 408570577 LLIOTQNBIJBWQL-VWLOTQADSA-N 526.565 5.942 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1 408572030 QLEOVHQQAFJSKM-HSZRJFAPSA-N 604.870 6.589 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408572675 RSMTWMPFNVBHMH-JNXJHSTISA-N 542.419 5.539 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Br)cc1 408683787 MDXBOFCIWGUWML-WVZRZZCNSA-N 730.997 6.044 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(F)cc1 408687954 VJKYILLJRZKKIL-QKCPIRFBSA-N 670.091 5.421 5 40 KKBB O=C1S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccccc1 408820615 YXKKKCOADCCCLE-NDENLUEZSA-N 545.798 6.831 5 40 KKBB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1/N=C(c2sc3cc([N+](=O)[O-])ccc3c2Cl)OC1=O 408839425 RYTVDVCPYMFAJU-IKVNRTJKSA-N 530.945 6.426 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 408995754 DNKLWEFBRADBCM-RWTNITNYSA-N 673.339 5.492 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc5ccccc45)c(I)c3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 409079507 JYMWOYJMTUJQAD-ITNPZBTBSA-N 857.464 6.648 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409159090 ZBZBTOXAPXFXOC-ZMOGYAJESA-N 568.007 5.901 5 40 KKBB Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 409175305 ZBKYFPVBDJFTPL-HHHXNRCGSA-N 515.543 5.517 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409181675 DRZAYBAKXXYXQD-VWLOTQADSA-N 532.892 6.730 5 40 KKBB COc1cc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc(OC)c1OC 409187785 CGEISTGSOVUJNZ-OCKHKDLRSA-N 662.243 5.709 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(F)c(Cl)c1 409227649 ZWLDCTPKAKHMOC-ODCIPOBUSA-N 674.810 7.636 5 40 KKBB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 409343992 JMMSQXQKTCTBPK-LJQANCHMSA-N 571.874 5.541 5 40 KKBB CCOc1ccc2nc(S[C@H](C)C(=O)N3CCN(c4nc5ccc([N+](=O)[O-])cc5s4)CC3)sc2c1 3671227 UVVFFWQCSUZHCN-CQSZACIVSA-N 529.669 5.042 5 40 KKBB COc1cc(NC(=O)COC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)c(C)cc1[N+](=O)[O-] 12542228 RYNNOJJPYAAGKH-UHFFFAOYSA-N 517.510 5.766 5 40 KKBB Cc1ccc(N2C/C(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)C(=O)N(c3ccccc3)C2=S)cc1C 15018807 VOOHOAIHPSJYHS-HKOYGPOVSA-N 526.662 6.424 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 100390954 KPTWWPRFVYUFGL-NAYIZHHVSA-N 544.947 5.709 5 40 KKBB CC1=NN(c2ccc(C)cc2C)C(=O)[C@@H]1C(c1ccccc1[N+](=O)[O-])[C@H]1C(=O)N(c2ccc(C)cc2C)N=C1C 100931079 PTJCPAKFTSDBAM-NSOVKSMOSA-N 537.620 5.990 5 40 KKBB Cc1ccc2nc(-c3ccc(N4C(=O)[C@@H]5[C@H]6CC[C@@H](C6)[C@H]5C4=O)cc3)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 101465354 HXKISKSQFYIMGI-GTQLOLIKSA-N 589.604 5.694 5 40 KKBB COc1ccc(CCNC(=O)c2ccc3c(c2)nc(SCc2cc(=O)n4ccccc4n2)n2c4ccccc4nc32)cc1OC 102744560 CEYMEIUFTKHREQ-UHFFFAOYSA-N 616.703 5.326 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)Nc1cc([N+](=O)[O-])ccc1F 103092276 DIXBCATVSWIYPV-UHFFFAOYSA-N 524.302 5.507 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306641 QPUSMXOVZSTMJU-UHFFFAOYSA-N 537.985 5.020 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105320496 XLUMODAGJBIJEB-UHFFFAOYSA-N 541.789 6.671 5 40 KKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745398 RQDHJZYXCUMPCK-GRSHGNNSSA-N 530.312 5.762 5 40 KKBB O=c1/c(=C/c2cc(I)c(O)c([N+](=O)[O-])c2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 150482224 FJAOQJFKTPFRKC-RWTNITNYSA-N 641.874 5.191 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(O)c(OC)c1 150522984 RYMXALFBFUHYKD-LHBBPENESA-N 738.731 5.657 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 164755038 SGQVWXGBXVHTID-GEYGMGCISA-N 636.129 6.468 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214167215 MFKZRNNNANJKPG-SSDVNMTOSA-N 541.925 6.194 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223656338 WBZYZIQMWSVMLY-KDYSTLNUSA-N 537.657 5.522 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223816143 JSPIXBDORVHTAE-SIBVEZHUSA-N 542.463 5.999 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NC2CCCCC2)c1 224942793 OCOZCRSVSLQPFY-QHCPKHFHSA-N 687.215 5.635 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1Br 224946637 LZDZFPGZPIRBQN-RPWUZVMVSA-N 535.423 6.498 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224959934 CXLLZHVSJRWCBO-HXUWFJFHSA-N 651.569 5.357 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260965683 LRWQOXIOCLTOGV-ZBLYBZFDSA-N 601.125 5.166 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260976465 APXMWRPEKZANLC-CVYDZTKKSA-N 686.831 5.970 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 408565542 CGJVDMTVQIKNGY-DEOSSOPVSA-N 603.926 6.998 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 408569685 WYIHDXKOVYLVJR-MOXRBOSHSA-N 564.436 5.091 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1 408574049 UMUNDBZUEAIJHH-DEOSSOPVSA-N 621.916 7.219 5 40 KKBB CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408604066 DAUMYBWBERUGOD-UHFFFAOYSA-N 557.184 7.375 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408679455 FEVLQOKMNAFSNN-SNINSWTHSA-N 642.081 5.738 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(Br)cc1 408684265 NFEKFQLLMAWROK-UHFFFAOYSA-N 823.868 6.944 5 40 KKBB O=C(Oc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408726021 ONQCQDRZSMIUQR-ZBKNUEDVSA-N 525.882 5.617 5 40 KKBB CCc1ccccc1N1C(=O)c2cccc3c(-c4ccc(Br)cc4C)c([N+](=O)[O-])cc(c23)C1=O 408757997 UDKROLJXXFKORL-UHFFFAOYSA-N 515.363 6.849 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)S2)cc1 408776947 SKHNXGQAJBFIDJ-AOLPSBPOSA-N 574.884 6.752 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408831356 QOQDCGKMQXKVCR-IPAKXIGBSA-N 753.584 5.965 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccccc1 408832999 YRHNGBDKOMFPAC-CLNXTWJPSA-N 591.645 5.412 5 40 KKBB O=C1OC(Cc2ccccc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408846925 RWSPDWKPJQFMPC-XSFVSMFZSA-N 507.296 5.115 5 40 KKBB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 408903787 ZAZQBGNAJNZXMZ-FMCGGJTJSA-N 552.406 5.105 5 40 KKBB Cc1sc2nc(-c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)nc(O)c2c1C 408993236 VGRQPOYONGSXFO-UHFFFAOYSA-N 511.566 6.258 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 408998979 VOZFLWVVABGVFP-JOHYPREOSA-N 742.673 6.907 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409029403 AMTLQIDZFAMLMR-RBYDNKHHSA-N 797.637 6.364 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409038854 VZNIAQLOJIQDEW-IVRZUQNJSA-N 756.617 5.543 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409099941 RYDSDCJJDJQALJ-RQZCQDPDSA-N 510.846 5.055 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409150542 CPIXHNIATVUODT-YDZHTSKRSA-N 553.980 5.511 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1cccc(F)c1 409250469 MAMYHQONCRBPJR-WYMPLXKRSA-N 530.537 5.412 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)o1 409398361 DGWFOHYBJSQAJP-GRSHGNNSSA-N 635.221 5.171 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 832717 WDCFRLSGQMGCAM-RAWLKHAVSA-N 558.546 5.031 5 40 KKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3cnn4c3N[C@@H](c3ccccc3)C[C@H]4C(F)F)nc12 22825598 LWXWOEDQRNVEOK-SJORKVTESA-N 502.554 5.731 5 40 KKBB Cc1ccc(-c2nn(-c3cc(N4CCN(C(=O)c5ccccc5Cl)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1 29491167 DCMOZVFPBZWNRZ-UHFFFAOYSA-N 580.044 5.885 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@@H]1C(c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)N=C1C 100930840 JJFZXDSDHSNMCQ-NSOVKSMOSA-N 537.620 5.990 5 40 KKBB O=C1[C@@H]2[C@H]3C[C@H]([C@H]2C(=O)N1c1cccc(C(F)(F)F)c1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)c2sc(=O)[nH]c2S[C@H]31 100971695 YDFNPRCPBPZTAW-BNLCHGIRSA-N 573.574 5.041 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 105322779 HXGISCVZLOQGKC-KRXBUXKQSA-N 552.887 5.922 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 105499198 MKMSNGVCYUJEJF-ASZNLBCTSA-N 601.706 5.007 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br 150385956 HFSRWRUBNJFJBT-DHRITJCHSA-N 719.408 7.389 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214402327 LLIZIQVIGKWCDE-AUEPDCJTSA-N 590.397 7.237 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 214987613 DKZBBFOVAZMVQF-FOKLQQMPSA-N 600.403 6.090 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222932494 HGLHBXAVYIZKPE-MHZLTWQESA-N 665.596 5.089 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)cc1 224787459 QFQPHKLVNQIRGW-WDYNHAJCSA-N 619.555 8.885 5 40 KKBB COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224792878 VXIYMZPVPUPUGL-KYJUHHDHSA-N 607.717 6.895 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224951817 DRQYMEATUNJONK-LJQANCHMSA-N 607.516 5.040 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 225147081 HKXQEHJCXGXGRZ-IZZNHLLZSA-N 562.051 6.675 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1ccc(Cl)cc1 408570295 KUELDERSBDWEEM-QHCPKHFHSA-N 604.870 6.589 5 40 KKBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21 408642441 DVWIFYULOBDHRX-BOVDGQEDSA-N 573.989 5.478 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408688612 WJBHRPDKYPYNMJ-QYVZARNFSA-N 598.442 6.351 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408928786 JCGSKMURZJPMAL-LPYMAVHISA-N 552.381 5.428 5 40 KKBB O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCC6)cc3[N+](=O)[O-])sc2c1 408993329 VPAHJSSEPADJHK-UHFFFAOYSA-N 637.724 7.412 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 409030020 BPSZZSTXGJDOPI-KEPJHFNWSA-N 636.126 6.026 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(s/c(=C/c3cc(C45CC6CC(CC(C6)C4)C5)ccc3O)c2=O)=N1 409080069 KYLAHWNPKQXNFG-ODMLWPGLSA-N 613.736 5.268 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409106027 LRXBKXIZXJNIAP-GXIJPSQLSA-N 645.952 6.232 5 40 KKBB CCCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3ccc(Cl)cc3)c(=O)c2c1C 409109839 MLUXQIMVXPJOSN-UHFFFAOYSA-N 539.988 7.440 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409164845 OOVGAICCTGADTC-CIAFOILYSA-N 555.952 5.360 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409168878 OEXQKHOPEWKUTH-SSDVNMTOSA-N 596.599 5.701 5 40 KKBB O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)c1 409177213 DOMARKAYFREYNM-UHFFFAOYSA-N 573.355 6.307 5 40 KKBB COc1ccc(C(=O)[C@H](OC(=O)c2cc(Cl)c(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2OC)c2ccccc2)cc1 409180463 TYDDRZAMRJFTBH-MUUNZHRXSA-N 600.967 5.847 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409205350 PWQKPIYJLXIIJN-WPWMEQJKSA-N 656.639 6.190 5 40 KKBB O=C(CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O)Nc1ccccc1F 409215634 CQRBBWUPFKKQLX-SRZZPIQSSA-N 559.337 5.151 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)c1ccc(Br)cc1 409227520 ZBDVDGXNUVIDDY-MXAYSNPKSA-N 576.428 6.280 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc2ccccc12 409249465 JGFHXXMKAIMHOM-YSMPRRRNSA-N 618.465 6.765 5 40 KKBB CC(C)C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 409361845 QVPXZOXCIWMGBB-LJQANCHMSA-N 551.456 5.278 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409384943 GXMJVEJEOZPRAE-WSDLNYQXSA-N 617.430 5.951 5 40 KKBB O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1)c1ccc(F)cc1 3195779 RQFLYPIUXHFWRV-UHFFFAOYSA-N 532.459 5.877 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 12524401 HXVRMIWYMBDCEM-DDTJUAQESA-N 522.605 5.868 5 40 KKBB CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C@H](O)CC1(C)C 52245195 KBPHJBAIARWVSC-AMUMXYJRSA-N 568.886 10.403 5 40 KKBB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccc(Br)cc5)cc([N+](=O)[O-])c4)c(Cl)c3N2)cc1 97949204 BETFYNBAUVZZSY-FGZHOGPDSA-N 666.838 7.921 5 40 KKBB CN1/C(=C2\C=NN(c3ccccc3)[P@@]2(=Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)C(C)(C)c2ccccc21 97983986 VHNYZBLSCUXPBW-VYWGKUPRSA-N 612.468 8.576 5 40 KKBB COc1ccc(CCNc2cc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)ccc2[N+](=O)[O-])cc1OC 100325313 MRNKVHLYDOJALG-UHFFFAOYSA-N 546.668 5.527 5 40 KKBB O=C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](c2ccc(F)cc2)c2cc(Br)ccc2N1 100889394 QYCFXUKOTCZKNL-OAQYLSRUSA-N 518.726 5.334 5 40 KKBB CN1CCN(c2ccc(C(=O)N3N=C4/C(=C/c5ccc(F)cc5)CCC[C@H]4[C@H]3c3ccc(F)cc3)cc2[N+](=O)[O-])CC1 102928612 KNKXBQHWWCJXGZ-UPUYHUEHSA-N 571.628 6.062 5 40 KKBB C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 103129705 NYNCJUJDDXZMDU-CQSZACIVSA-N 557.510 5.709 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc3c(c1)OCO3)[C@]21C(=O)Nc2ccccc21 103543464 XHWJKRPGZBPKRW-KVOHOPFUSA-N 599.599 5.570 5 40 KKBB COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Br 105306183 ZFEOSQDWNRQQMI-UHFFFAOYSA-N 610.490 6.291 5 40 KKBB O=C(Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)c1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 150484675 RMXJTTOOCIOAGD-VVUFDACBSA-N 719.175 7.874 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 163536356 LHUANEMLDSPYTO-XCQFLATRSA-N 635.673 5.562 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223879649 BRSHHTMMSBDDHM-NFQMXDRXSA-N 665.596 5.231 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 224653551 ZBRCTXJOOASUEQ-KYJUHHDHSA-N 564.623 7.228 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(F)cc4)o3)cc2)cc1 224785977 BPJMJSMTDBMDPC-FQLXRVMXSA-N 568.655 7.717 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260931725 LAPPBKFNQBEHPG-JOCHJYFZSA-N 675.602 5.059 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408565604 LNEGAFYGSOXHAB-GFNGZDJJSA-N 566.452 5.257 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccccc3Cl)c(Cl)c1)[C@H]1CCCN12 408567095 PRACVQBCOJXTSN-JQHZVFBJSA-N 558.849 6.280 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 408571104 NOMOHUFGWYWMNG-DEOSSOPVSA-N 545.448 6.580 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1 408571192 OCJMPCWJAIYILR-XMMPIXPASA-N 529.449 6.880 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C/c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)C(=O)O)n[nH]2)c1 408633201 MGVNTHBFKJUZOH-WSDLNYQXSA-N 571.036 6.420 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1 408684320 OUHQOMBLIOQIOT-LJQANCHMSA-N 593.203 5.020 5 40 KKBB O=c1c2ccc3c(=O)n(-c4cc(Cl)ccc4Cl)c(=O)c4ccc(c(=O)n1-c1cc(Cl)ccc1Cl)c2c34 408732424 RFXSXCMHSNXGQT-UHFFFAOYSA-N 556.188 5.658 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408733778 QMFSNENEHRBMLU-SZYVSPPHSA-N 664.523 6.842 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1Cl 408918592 MIXSXSWCGBIHOX-YDZHTSKRSA-N 510.955 6.072 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n32)cc1OCC 408934036 KVYWYTZILSFRTQ-MKTOWPBFSA-N 867.456 5.512 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 409042865 DDMNKKQEEJYFML-UDHMSBBDSA-N 685.202 6.460 5 40 KKBB O=C(COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)Nc1ccccc1Cl 409128175 RSYGUJODTBOVCL-DHUJRADRSA-N 633.104 7.627 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CCCc1ccccc1 409128424 DYSFSLZLUIWEAE-LFVJCYFKSA-N 553.434 6.605 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4Cl)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409355423 CIOXVDUTXNTXTO-CCVBWGSMSA-N 855.876 6.457 5 40 KKBB COc1c(I)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 409364343 PBKOSHVWBXLHGT-UHFFFAOYSA-N 504.280 5.039 5 40 KKBB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 2675125 KLNKSOYWALCNTD-UHFFFAOYSA-N 506.996 6.686 5 40 KKBB CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@@H]13 8837621 BHKWBTATPFLOTL-ACSMPARLSA-N 520.626 5.610 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 163742301 UBOCLPJCHJHVJE-OTHIGLTOSA-N 679.751 5.846 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222675696 NYSJXIMTZUPVGZ-AREMUKBSSA-N 508.018 5.203 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 224715482 VGRSYZFRJSLROX-KYJUHHDHSA-N 547.640 7.058 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1Br 224938259 LXKYYJIHZYNOOK-DNQXCXABSA-N 534.439 6.029 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NS(C)(=O)=O 225469766 BFNWKDTWQNYKFM-JWQCQUIFSA-N 549.634 5.107 5 40 KKBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 247347192 UYWKKVIQGBEANC-LUIYPFIDSA-N 559.553 5.716 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408568947 VIYXEUARRWREKR-UMDVNSCSSA-N 534.012 5.372 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1 408573441 SWHGFALQJZEONO-DEOSSOPVSA-N 569.481 6.426 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408651546 GVBQLJMMBCHEOM-JFSLJLJWSA-N 612.469 5.738 5 40 KKBB O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408750436 MYUDSOGDOJRXNI-UHFFFAOYSA-N 781.096 8.497 5 40 KKBB CCOc1cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408819090 YDCFTQZIBPSTEF-BELHIQPHSA-N 572.707 7.627 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)cc1 408829146 XEMAEFNNSIRYHO-OBDCIHEFSA-N 592.677 5.018 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)cc1 408851861 AWDFIQBSLLFOFR-ZSXMQSLNSA-N 676.751 5.768 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408999569 LSGZSKYPJIGRRO-JBVGNYNVSA-N 817.556 8.071 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409079529 BPBJEGBMWQZPFM-YXDQGSNCSA-N 658.914 5.391 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1cccc(Br)c1 409155405 QZYDOHABJCMKEJ-UUYOSTAYSA-N 604.276 6.935 5 40 KKBB CCc1ccc(-c2cc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c3ccccc3n2)cc1 409178324 MGLHCKIUTFIZJI-UHFFFAOYSA-N 504.542 7.522 5 40 KKBB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)CC1 409272113 LREWJYOIINRWGZ-CIAFOILYSA-N 549.527 5.701 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1 409272593 NMIGILIDLPKSSY-ZVHZXABRSA-N 504.520 5.102 5 40 KKBB Cc1cc2nc3s/c(=C\c4cc(Br)ccc4OCc4cccc([N+](=O)[O-])c4)c(=O)n3c2cc1C 409393127 PDOYYCDMFVDZTR-FMCGGJTJSA-N 536.407 5.323 5 40 KKBB CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 1823148 CZUBDSAMSXMHNS-HHHXNRCGSA-N 525.457 8.251 5 40 KKBB CCN(CC)S(=O)(=O)c1cccc(C(=O)c2c(C)c(Sc3ccc([N+](=O)[O-])cc3)c3ccccn23)c1 3185093 VXIYVCRSKQYTTI-UHFFFAOYSA-N 523.636 5.569 5 40 KKBB CC(CCC(=O)O)(c1ccc(OC(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1ccc(OC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 4721799 VVTPUQCDZMXVJM-UHFFFAOYSA-N 614.567 6.896 5 40 KKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 22842039 QWXSTHZUWZCSKV-UHFFFAOYSA-N 517.365 6.324 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)c(C)c1 29492836 IFCRIGXJPYGPDX-UHFFFAOYSA-N 541.656 6.034 5 40 KKBB CC(=O)c1sc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@@H]3[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C 96401730 VQHGVWZSTQADDM-QXKSOBMFSA-N 517.567 6.272 5 40 KKBB Cc1ccccc1C(=O)CN1C(=O)[C@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)N=C(c2ccccc2)c2ccccc21 100947541 LWZWLCFLLROCCK-PMERELPUSA-N 561.598 5.426 5 40 KKBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1OCc1cccc2ccccc12 102560315 WRGGASCFKVJOFP-MDZDMXLPSA-N 524.327 5.057 5 40 KKBB CCOc1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4ccccc4[N+](=O)[O-])c(=O)n2[C@@H]3c2ccc(OCC)cc2)cc1 102901930 BICSXDIWIPSCKD-CJFQQIECSA-N 593.705 6.188 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccnc1)[C@@]21C(=O)Nc2ccccc21 103542968 BGAHJQLDWMQREK-MKYOLNSUSA-N 556.578 5.236 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 163219063 OUIDYBJNXSQWFH-JAYSWQADSA-N 638.496 5.046 5 40 KKBB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)c1 214640091 UMDPSKZXSFQZHE-SSDVNMTOSA-N 593.377 7.713 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224219089 JNXPYZPRVNAUIT-MGBGTMOVSA-N 693.222 5.927 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)o1 224943558 KIRKITRXSUQRIP-RPBOFIJWSA-N 565.449 6.506 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260877645 BMVXAPDLYOLLHQ-UUWRZZSWSA-N 672.779 6.018 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408644794 RUUFOUXUIPLDPD-UHFFFAOYSA-N 732.272 6.872 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1c(-c2cnc3ccccc3c2C(=O)Nc2ccc([N+](=O)[O-])cc2)cnc2ccccc12 408720266 KNTMQPRYLADWTH-UHFFFAOYSA-N 584.548 6.771 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408771065 FHAHJDBKMCMBFN-DAIZXWHWSA-N 693.803 6.153 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408837308 BWVYQYDPVLPPPQ-QCHPHUCNSA-N 617.989 5.471 5 40 KKBB O=C(Oc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1)c1ccc([N+](=O)[O-])cc1 408843747 SAEOKLXKEOPUIP-BPOMCQNBSA-N 653.691 6.738 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1 408848280 SUMWSVPSSDAOBU-IMMOAUGXSA-N 690.778 6.159 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccc(F)cc1 408871592 HNXPUGQGIPMHBD-UUYOSTAYSA-N 586.395 5.750 5 40 KKBB Cc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])cc1C 408918958 RDHDGXLRLDNKNY-SUCLOZJKSA-N 630.700 7.401 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408994883 HMDSWTCHMGUHEM-VZVSMJQGSA-N 707.830 6.543 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409043694 ZCHFUJSBBXVNRS-CDWRSTBESA-N 830.610 5.816 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccccc2OCc2ccccc2)N1Cc1ccccc1 409135132 QAPFPUQVRLLWCZ-UUWRZZSWSA-N 555.634 7.535 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(Cl)cc1 409166948 HCANEIYVWFMEOR-VXLYETTFSA-N 518.334 5.837 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409225408 QJBTXLJZLMLZQE-NUGSKGIGSA-N 650.866 6.412 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409367869 MUFDCZDCVZDWGP-UHFFFAOYSA-N 587.636 7.162 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)N1CCCCC1 409369548 CTHKVBMCMLSWIZ-NDENLUEZSA-N 733.322 5.432 5 40 KKBB O=[N+]([O-])c1ccc(C2=C[C@@H]3CCCC[C@@H]3C3=C2O[P@](=O)(NS(=O)(=O)C(F)(F)F)Oc2c(-c4ccc([N+](=O)[O-])cc4)cc4c(c23)CCCC4)cc1 2237365270 UYPHZKYCFKLVHC-XNRKYPMASA-N 731.642 8.620 5 40 KKBB O=C(c1ccc(Br)cc1)[C@H]1c2c(c3ccccc3c3ccccc23)[C@@H]1C(=O)c1ccc(Br)cc1 2187116 DABVNRMEJAGBMV-NSOVKSMOSA-N 570.280 8.465 5 40 KKBB COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 3006588 AVVMXXPWQAPUQW-HSZRJFAPSA-N 512.946 5.093 5 40 KKBB COC(=O)c1cc(COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc([N+](=O)[O-])cc2)CCC3)oc1C 13523707 DFCXWUQUKWODGY-RGEXLXHISA-N 512.518 6.065 5 40 KKBB O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1)c1ccc(Cl)cc1Cl 22839646 JJFABCRVYNJBFQ-UHFFFAOYSA-N 515.353 5.243 5 40 KKBB COc1ccc2cc(-c3c4oc5cc(O)ccc5c4nc4c3c(=O)[nH]n4C3CCCCCC3)c(=O)[nH]c2c1 79481673 QKLYNASRQNYARU-UHFFFAOYSA-N 510.550 5.742 5 40 KKBB CN1/C(=C2\C=NN(c3ccccc3)[P@@]2(=Nc2ccc([N+](=O)[O-])cc2Br)N2CCOCC2)C(C)(C)c2ccccc21 97983270 GCOSVBFZONZSQN-DBUFCQBPSA-N 621.476 7.497 5 40 KKBB O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1cc(Br)ccc1Br 100026060 ZVKZBNPGYVRUSF-RMKNXTFCSA-N 517.133 5.582 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OCC)c([N+](=O)[O-])c4)cc3n2)cc1 100325822 AOUXKVVFHLDKPG-UHFFFAOYSA-N 532.626 5.505 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)cc1 100367901 CBWROWQHBKVWSX-IWIPYMOSSA-N 533.631 6.292 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)cc1Cl 105250937 YPEHGVCQXMACBB-UHFFFAOYSA-N 524.832 6.734 5 40 KKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(Cl)c1 105251005 LZKHMSOMXGCKOQ-UHFFFAOYSA-N 559.675 7.098 5 40 KKBB O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305853 KBWCATXJWYYSGH-UHFFFAOYSA-N 533.635 5.694 5 40 KKBB O=C(Oc1cccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1)c1ccccc1I 106740661 YSRGPOHVBOLUSU-BKUYFWCQSA-N 586.363 5.655 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 111469411 HPTTWIIYPYLLJZ-KUSDHMTMSA-N 621.671 5.421 5 40 KKBB O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112230182 VGRCMIODWHIPQP-UHFFFAOYSA-N 523.343 5.254 5 40 KKBB Cc1cc(SCC(=O)NC(NC(=O)CSc2cc(C)nc(-c3ccccc3)n2)c2cccc([N+](=O)[O-])c2)nc(-c2ccccc2)n1 150456391 MGZVLHGULAFARZ-UHFFFAOYSA-N 651.774 5.941 5 40 KKBB O=C1S/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205653225 UFLGRKYIKUOSKN-WYMPLXKRSA-N 521.957 6.627 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 214055012 HOCFDRSSAMVABT-CIAFOILYSA-N 500.454 6.642 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222750854 LJLRZQUQHVYYOB-LJAQVGFWSA-N 655.560 5.483 5 40 KKBB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224248510 BLQXJVOXINHIDZ-VWLOTQADSA-N 631.151 5.012 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224464674 WNFBJNCVKNPDJD-HKBQPEDESA-N 707.647 6.107 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224497235 FXOBJUUFZTUYKC-AREMUKBSSA-N 574.530 6.301 5 40 KKBB Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1Cl 224784558 ZUIXCTFSAJYGLS-KYJUHHDHSA-N 598.153 8.071 5 40 KKBB O=C(O)c1cc(C(=O)O)cc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 224788049 PWJTUMXQRQUMFK-WDYNHAJCSA-N 638.683 6.975 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260919560 MBVAOJVAQYGGKE-UUWRZZSWSA-N 733.685 6.642 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408567188 QFSSJCVREVNINJ-OCAOGGMISA-N 647.353 6.788 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Br)c1)[C@@H]1CCCN12 408569643 WUSXEOSFZLJTND-TUPPOGIXSA-N 603.300 6.389 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1 408571406 OQGVPJJTGABQSB-DEOSSOPVSA-N 682.822 7.842 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccccc1 408571581 PCIGUHKJLDQZPN-QHCPKHFHSA-N 543.418 6.166 5 40 KKBB C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408637612 AUNZCCRFSUZVJM-BYXKLXLYSA-N 700.573 6.324 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408644126 QTTKLWFUMNXIGQ-PDNQGOMLSA-N 806.653 7.154 5 40 KKBB O=C(COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 408736671 FAMZNQNFJZKEPH-XIFFEERXSA-N 598.655 6.547 5 40 KKBB Cc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c(C)c1 408738827 WBJIBCXBXLFVBA-MUUNZHRXSA-N 507.590 5.710 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408773602 VNINOYRFXDPHRQ-XWRQZSIYSA-N 682.802 6.970 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408805278 FSOPSFGAEAPVDW-LLXISZFLSA-N 665.699 5.571 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408836859 WHSIDBXPGYUYGM-LCQSEVKBSA-N 648.535 5.356 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(CSc2ccccc2)cc1 408920586 JOMZAHFFQVTHJM-UHFFFAOYSA-N 533.631 5.721 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409002190 YVLQVHIJEMKSOP-DGBHDHARSA-N 689.790 6.555 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c2=O)=N1 409031904 BIZNNFYFBLEOIK-JAYSWQADSA-N 703.398 6.355 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409170897 XUVCCQYESLTVJC-WYMPLXKRSA-N 626.485 6.237 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409221283 NYROROWLBKRMGF-ZVHZXABRSA-N 642.484 6.019 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409227770 WNOYOLHGTPDMTE-ZMOGYAJESA-N 583.416 5.864 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br 409273213 JEPGUWMYMGPSLY-FHQMNNMHSA-N 699.624 5.113 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCCCC1 409379683 ZMXFCUGDZYGELX-NDENLUEZSA-N 594.871 5.639 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccc4ccccc4c3)cc12 59515111 FIVMKWSHNDCMIL-UHFFFAOYSA-N 558.568 6.015 5 40 KKBB COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)ccc1OCC(=O)Nc1ccc(Br)cc1 97981410 XLKCELFGJYUXPR-QDEBKDIKSA-N 540.395 6.164 5 40 KKBB COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C2CCCCC2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 100142272 MBFMSKWLYVJQNO-UHFFFAOYSA-N 611.539 8.455 5 40 KKBB CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 102156032 GGTNJFFKTJXNLZ-WGDIFIGCSA-N 580.663 7.726 5 40 KKBB O=C(NC1CCCC1)c1ccc2c(=O)n(CCc3ccccc3)c(SCc3ccc([N+](=O)[O-])cc3)nc2c1 102667392 UHWJQTTXBZRJCH-UHFFFAOYSA-N 528.634 5.512 5 40 KKBB CCCCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103060470 ICZJZIATRJSWEA-YUAZUINTSA-N 611.698 7.184 5 40 KKBB COC(=O)c1ccc(N2CCC(CCCC3CCN(c4ccc(C(=O)OC)cc4[N+](=O)[O-])CC3)CC2)c([N+](=O)[O-])c1 103753741 DGTAYCTULXQBSM-UHFFFAOYSA-N 568.627 5.380 5 40 KKBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OCc4ccccc4)CC3)ccc12 217458775 XYCNLYQRSMYPOC-TYKWCNGQSA-N 515.562 5.593 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222913849 XJIGJYJEMMEIKZ-HHHXNRCGSA-N 588.557 6.547 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223820720 NGHSDBMXKGUUJC-CCLHPLFOSA-N 635.570 5.222 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224916016 XFOGSVMRSFKQBT-YTTGMZPUSA-N 727.667 6.579 5 40 KKBB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225598691 RLHUDJAKZPIXJM-IBGZPJMESA-N 607.516 5.039 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1F 225622857 OVYLFPUNTJMJQH-UIOOFZCWSA-N 531.569 5.390 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 408575090 VZUSMOQVDZBSNC-SANMLTNESA-N 682.424 8.132 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 408576020 XEGYNBJYRLVTJO-XMMPIXPASA-N 559.475 6.889 5 40 KKBB COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408604093 DIENZTMHAKSSEY-UHFFFAOYSA-N 505.251 7.473 5 40 KKBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)c1 408638762 DIDRZPGDJSRONO-UOIPHLHCSA-N 682.127 5.290 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732279 TVOPCZCOMRXTLJ-MHZLTWQESA-N 547.633 5.845 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(F)cc1 408778494 GJSZBRZOBOCBGX-HNVAQCFTSA-N 665.699 5.571 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1 408804776 BIAQRLYPKHLHPS-OTHIGLTOSA-N 658.711 5.986 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408829031 WVDZFIVCTHEGGL-FQKMCRJQSA-N 774.431 5.961 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 408834367 YDDMQSJGUWZRCG-UAMLYEQYSA-N 580.065 6.449 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccc(F)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408940039 JCMBOZVGNMCLCG-UONGPDOGSA-N 712.550 5.204 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1OC(C)C 408945640 XFHVAVXBEXTLMV-KEPJHFNWSA-N 644.662 5.194 5 40 KKBB CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n21 409013060 JXWIMPUSIRSKSK-NSQMGQQPSA-N 622.743 5.529 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4Cl)c(I)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409355436 CIOXVDUTXNTXTO-ZWTBYVTRSA-N 855.876 6.457 5 40 KKBB COc1ccc2cc(-c3cc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)c4ccccc4n3)ccc2c1 3378970 KCWKDXRMXYNHAE-UHFFFAOYSA-N 507.502 5.767 5 40 KKBB COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4cc([N+](=O)[O-])ccc4C)c(N)c23)cc1OC 6280824 KOWBUALXMOFXHP-UHFFFAOYSA-N 540.601 6.699 5 40 KKBB C[C@@H](Nc1cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-])c1ccccc1 8816338 MVIYGNOQZCHHLR-GOSISDBHSA-N 509.404 5.493 5 40 KKBB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3s2)c(C)c1 13940809 OHWMMCGJYGTUPU-KRWDZBQOSA-N 520.636 6.501 5 40 KKBB O=[N+]([O-])c1ccc2c(c1)N=C1O[C@@H](c3ccc([C@H]4OC5=Nc6cc([N+](=O)[O-])ccc6NC5=C4O)cc3)C(O)=C1N2 100134557 IBFSQXGZNDUXCP-PSWAGMNNSA-N 540.448 5.496 5 40 KKBB in-vitro O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1)Nc1nccs1 101140186 VSFYNULLPQNENJ-UHFFFAOYSA-N 521.502 5.533 5 40 KKBB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(O)=C2[C@@H]1c1cccc([N+](=O)[O-])c1 101420730 KPSKIVXMDNISPX-CHJDUVSTSA-N 509.606 7.462 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 103862641 NZTLUPLVCKJWJG-IEIVDPGYSA-N 617.683 5.423 5 40 KKBB CCCN(CCC)C[C@@H](O)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(Cl)c(Cl)cc12 104205174 MDEZWUCWFGHWMB-OAQYLSRUSA-N 526.348 8.493 5 40 KKBB O=C1S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106743284 YNHOHWOGHYJUTA-NHDPSOOVSA-N 545.451 6.551 5 40 KKBB CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1I 163769602 MPSOESKMBRVRBE-KEQCBNTKSA-N 761.379 5.835 5 40 KKBB COc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1I 164108089 VTOPGVNVPSXZQN-YXDQGSNCSA-N 747.352 5.445 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 205817282 VAZVYOJRIXVZLF-CIAFOILYSA-N 565.526 5.463 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223634298 CCENTPDHLBBUQL-HHHXNRCGSA-N 659.205 5.793 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2Cl)C1 224140601 UTKHQSYKDLFZIW-JPNDCQDCSA-N 587.149 7.093 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224464552 SSHPHAKPSICWDI-HKBQPEDESA-N 707.647 6.107 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 260934341 QHUWFJOEENQBTB-PGUFJCEWSA-N 668.816 6.188 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261081741 RJGHQBKYJNNTJQ-SYBRLPANSA-N 642.778 5.653 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(Cl)cc1 408568062 HLXNSAPCBPJQKU-HSZRJFAPSA-N 533.412 6.711 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1ccccc1 408570271 KQMUIUYABTUZDL-QHCPKHFHSA-N 549.867 7.225 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408638918 DOIWIJDVFKLWBO-QKCPIRFBSA-N 697.098 5.190 5 40 KKBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408650737 BKKGDFRGMKHSSW-MVKHZLPHSA-N 708.165 5.813 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408664979 ZAVUQFSNAFYQGR-IHKGIWLBSA-N 571.973 5.088 5 40 KKBB O=C(Nc1ccccc1Cl)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Nc4ccccc4Cl)c3cc12 408719199 AFYZIKBBBNHVKG-UHFFFAOYSA-N 639.542 9.928 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OCC 408737274 BFOGFUBTEUZQGJ-ISZRBDKASA-N 636.730 5.417 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc(OC)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1 408755035 BDPOOHCITIYPJO-DDIUQFJASA-N 591.645 5.504 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408824734 HKJDAQCQNFCSHZ-ITNPZBTBSA-N 739.588 5.677 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cccs1 408915734 QUUCFVDBPZZRIZ-WGJPBTIMSA-N 646.750 5.908 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(SC)cc1 408993974 DZVDXDRHOMYIAH-GNZKFENCSA-N 727.820 6.938 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(SC)cc1 408995040 KZJUUBCTPJRONI-OTHIGLTOSA-N 736.853 5.757 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409090466 QUJVIRJPECSHAL-FQWZWQHVSA-N 686.171 5.447 5 40 KKBB CCn1c(SCC(=O)Nc2c(C)cc(Br)cc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409134065 OOMJKZQPTWMPGH-OAQYLSRUSA-N 589.516 5.443 5 40 KKBB O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1nc(-c2ccccc2)cs1 409180365 RBLXEBXWEHFXCL-UHFFFAOYSA-N 503.536 5.973 5 40 KKBB COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n21 409187787 CIPVUZFQZJGIEZ-QVPVGFNESA-N 772.092 7.000 5 40 KKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2Br)cc1/C=C/c1ccccc1Br 1714396 XPNJDUJJRXINIT-WGDLNXRISA-N 530.172 7.369 5 40 KKBB Nc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c12)C[C@@H](c1ccccc1)S[C@@H]3c1ccccc1 1865634 JUNFLXCNDTUBEI-LADGPHEKSA-N 542.711 7.594 5 40 KKBB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1sc(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 3069842 HZASOXXAWXUKLZ-UHFFFAOYSA-N 503.889 7.310 5 40 KKBB CC1(C)CC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC(C)(C)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 8385586 UHHIBJJQDFZYME-UHFFFAOYSA-N 523.373 5.402 5 40 KKBB Cc1ccc2oc(C(=O)Nc3cc(Oc4ccc(I)cc4)cc([N+](=O)[O-])c3)cc(=O)c2c1 8398801 VXXHHXWCKZZIBN-UHFFFAOYSA-N 542.285 5.659 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 100340118 TYVFDUDRYRMWBX-LSHDLFTRSA-N 594.270 7.480 5 40 KKBB COc1ccc(CCn2c(-c3ccc([N+](=O)[O-])cc3)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1OC 102581382 QSRHCNSCNTXLDO-UHFFFAOYSA-N 578.375 5.101 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 103570233 ARFPDNHPVKDBPQ-HKFRAXQBSA-N 541.563 5.451 5 40 KKBB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2Cl)CC1 105354894 KZMVOIMSWPVFOL-UHFFFAOYSA-N 569.470 6.639 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 150449900 WHUILLXMHGBPRO-PVHODMMVSA-N 650.463 5.176 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 163924024 GDKKEPXQLBBTLS-YVBHXKDBSA-N 644.662 5.114 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222615010 RAUCCMRQNBKDNW-HKBQPEDESA-N 709.619 5.256 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223398165 PBSKLVJRVGEZFR-NRFANRHFSA-N 665.596 5.748 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224104799 HWVKBZUJFWNTDG-FQEVSTJZSA-N 710.047 5.855 5 40 KKBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224454829 VSDBLOYWNLVNGL-AREMUKBSSA-N 651.569 5.357 5 40 KKBB O=C(O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 224787043 NDGRNTHCDZVMSJ-FQLXRVMXSA-N 594.674 7.276 5 40 KKBB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 224851649 PHZPSZHSQJQVAZ-JWQCQUIFSA-N 502.552 5.444 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224855481 CVTBZTFOKMWHJU-DHUJRADRSA-N 733.287 6.768 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224909222 DEVBGOJJWJCSJO-NRFANRHFSA-N 647.581 5.963 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224962720 ROMWFSNLIRYSCB-WJOKGBTCSA-N 632.714 5.094 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225271726 OBIVZFPKJZYEOM-JOCHJYFZSA-N 552.455 5.545 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225392361 LQOSYLHCLBHDLN-GDLZYMKVSA-N 563.695 6.056 5 40 KKBB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 225678746 UUKIQEWHIDCXAA-KAYWLYCHSA-N 543.605 5.260 5 40 KKBB CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 253487297 ICZJZIATRJSWEA-XGHZCBFSSA-N 611.698 7.184 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 260939027 RLHMZMQDOVMYPB-PSXMRANNSA-N 763.313 6.858 5 40 KKBB COc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 408530972 SYSYXQPBGAYWOH-UUWRZZSWSA-N 634.714 7.078 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408566459 OHUBQQSZSAXIBZ-IPEONRORSA-N 586.870 5.602 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408567128 GOBZMDHOMYOWJW-SANMLTNESA-N 555.056 6.326 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408571285 OGLRXIUVTXCVON-DEOSSOPVSA-N 593.920 7.624 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)N1CCCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408615676 CBEVJFVVWRQXCM-UHFFFAOYSA-N 615.108 5.415 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733198 GBYGPPLQKFRECA-RIFKOAFWSA-N 744.620 6.625 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408776062 MVGXMSOBLCFWAL-PRLWALMFSA-N 680.602 5.770 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 408781414 SEAHXHTXAKCWGF-PNZYDNNZSA-N 640.537 5.110 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408823002 BZVBNWIUPKDHPH-IMUCPKNRSA-N 698.595 6.510 5 40 KKBB O=c1/c(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408837748 MUHZQLCZCBWMTJ-DXUGRCAZSA-N 616.655 5.714 5 40 KKBB O=c1/c(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408847356 VGMWOIIQFVZRPH-OIUASMPBSA-N 637.073 6.581 5 40 KKBB O=C1S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1Cc1ccc(Br)cc1 408879579 BWBTXYUXMMLKLM-NHDPSOOVSA-N 777.172 7.382 5 40 KKBB COc1ccc([C@@H]2NC(SCc3ccc([N+](=O)[O-])cc3)=NC(C)=C2C(=O)Nc2ccccc2)c(OC)c1 408978593 NAJPZWRZTAVYOT-VWLOTQADSA-N 518.595 5.458 5 40 KKBB Cc1c(Cl)cccc1N1C(=O)c2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2C1=O 409176368 LQQSKNOVUFNDOS-UHFFFAOYSA-N 542.931 6.507 5 40 KKBB COc1ccccc1OCc1ccc(C(=O)OCC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 409179432 NIRZMLDGCDHXMZ-UHFFFAOYSA-N 547.947 6.668 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(Br)ccc1OC 409192513 YEQYHYUAUUELII-YVBHXKDBSA-N 796.125 6.561 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409229430 OXVJQEXQKCIBEW-YDZHTSKRSA-N 603.878 7.225 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1cccc(F)c1 409242762 SXZADQWHNXWESZ-UFFVCSGVSA-N 665.291 6.513 5 40 KKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OCc2ccccc2)cc1 2425607 NKLOBRZZIDOCTN-UHFFFAOYSA-N 503.606 6.443 5 40 KKBB CCCC(=O)Oc1cn(-c2ccc3c(c2)c2ccccc2n3CC)c2nc(CCC)n3c4ccccc4nc3c12 8638522 PFAIZLVFHHECPQ-UHFFFAOYSA-N 529.644 7.612 5 40 KKBB Cc1c(Br)c([N+](=O)[O-])c(C(=O)OCc2ccccc2)c([N+](=O)[O-])c1OCc1ccccc1 16249242 JWYNLIBVXHJOBG-UHFFFAOYSA-N 501.289 5.510 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F 16688723 QADSLSOJSOYLHP-UHFFFAOYSA-N 518.383 5.676 5 40 KKBB COc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccc(Cl)cc5)nc4cc3C)o2)c([N+](=O)[O-])c1 20611003 NVVVNULPONRWQZ-UHFFFAOYSA-N 503.902 5.811 5 40 KKBB COc1c(Cl)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1Cl 100217494 PURVSTMLJFXKRX-AQOBYAHYSA-N 587.548 6.889 5 40 KKBB O=C(CCCCCCCCCCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc([N+](=O)[O-])cc1 100935085 FGVCHUIWUBCAEN-UHFFFAOYSA-N 556.568 5.556 5 40 KKBB C[C@@H](OC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 103092297 BHLLDUXRXSANNV-CQSZACIVSA-N 554.784 6.410 5 40 KKBB C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2[N+](=O)[O-])C1 103093349 ZXKXPAKCJHLUHJ-AWEZNQCLSA-N 549.436 6.057 5 40 KKBB CCOc1ccc2nc(Sc3ccc(C4N(c5ccccc5)CCN4c4ccccc4)cc3[N+](=O)[O-])sc2c1 103745968 VDPFCEQJGJHWAM-UHFFFAOYSA-N 554.697 7.780 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1 105833413 GOKJLWIMMWFKNK-BNJPIXQPSA-N 520.416 7.584 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc2ccccc12 205658749 WUYYXRCIRQGIDL-JVWAILMASA-N 619.493 7.725 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 214346413 PUSXDIVWFQSRLA-YDZHTSKRSA-N 634.423 6.553 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222927864 FHZJIZDYLORARC-UMSFTDKQSA-N 741.694 6.826 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(F)cc1 225603941 NTJZMXQRCJVRKW-FTJBHMTQSA-N 531.569 5.390 5 40 KKBB CC1=C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@@H]21 226411581 ZRHIGDZIDKQKSO-UBQPIHBDSA-N 524.529 5.446 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260936883 MVIMKFJUUCNDFK-UUWRZZSWSA-N 721.276 6.481 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260986225 BVXUPMDGCDSJRO-JKFCTSDTSA-N 707.249 6.315 5 40 KKBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408542133 HKHDZNOVZFWOTH-QPJJXVBHSA-N 528.186 7.109 5 40 KKBB COc1cc(CNc2ccc(Br)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408554986 GOHIJUOPDXXLFA-UHFFFAOYSA-N 603.638 6.815 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c1 408568083 HPCYUNOODCMNJZ-DEOSSOPVSA-N 573.900 6.989 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(F)cc1 408572112 QQSHBDGMUXRAAR-NRFANRHFSA-N 513.363 6.456 5 40 KKBB O=C(O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Sc1nnc(-c2ccc(Cl)cc2)o1 408633588 KQZDNZPLYAIIDQ-ZDLGFXPLSA-N 504.307 6.429 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408920658 MAICFGAOZKSCQM-LFVJCYFKSA-N 601.990 7.247 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 408999636 VGTCJUWJUIYUDJ-MFUBYVTQSA-N 673.339 5.492 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c2=O)=N1 409039056 WCDOLAORZOKLIO-ITNPZBTBSA-N 648.137 5.728 5 40 KKBB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 409078547 ITOMZCCWDFJVJK-STZFKDTASA-N 530.444 5.669 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4Br)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409083810 UOEBHOCGPPZDQL-BIQRORRISA-N 587.426 5.798 5 40 KKBB COc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccccc1 409120608 UQABEJPUUCFEJI-PGUFJCEWSA-N 664.556 8.306 5 40 KKBB O=C1S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1CC1CCCCC1 409131494 YBYBOCUMOZCZGL-CIAFOILYSA-N 704.324 7.000 5 40 KKBB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 409178889 JKRPKUGBXQUOTF-UHFFFAOYSA-N 705.167 5.217 5 40 KKBB Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc2)C3=O)cc1C 409180218 QAUQUAFCTVHXOS-UUWRZZSWSA-N 626.621 7.586 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 409181543 CXKKSSVUCZTUKC-HHHXNRCGSA-N 605.386 6.492 5 40 KKBB O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409182770 ODAQTPMAFOCVBY-UHFFFAOYSA-N 551.580 7.120 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409208561 GTTZYRYHCWLKCH-LSHDLFTRSA-N 575.824 6.839 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(F)c(Cl)c1 409220024 XORSLBRGSSJYDS-ZVBGSRNCSA-N 595.914 6.873 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)o1 409347806 MWVMRFPNABKXTJ-RGVLZGJSSA-N 605.366 5.143 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)o1 409385564 LJBGTVRJOYDQCB-KEBDBYFISA-N 652.273 6.315 5 40 KKBB Cc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])o3)nc3ccc(I)cc3c2=O)c(C)c1 9312444 LUJQWKNCIQTCNW-WEVVVXLNSA-N 513.291 5.279 5 40 KKBB CCn1c2ccccc2c2cc([P@@](=Nc3cc([N+](=O)[O-])ccc3C)(N3CCCC3)C(C)(C)C)ccc21 12524700 YCARKFGAFUHJAO-PSXMRANNSA-N 502.599 7.999 5 40 KKBB COc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(OCc4ccccc4)cc3)c([N+](=O)[O-])c2)cc1 13063423 DNLQDBTVBBBLSX-UHFFFAOYSA-N 506.536 5.776 5 40 KKBB CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 13150079 HYCMFIUUJOLGHN-UHFFFAOYSA-N 512.437 6.633 5 40 KKBB COc1ccc2cc(-c3c4oc5cc(O)ccc5c4nc4c3c(=O)[nH]n4C3CCCCCCC3)c(=O)[nH]c2c1 79487189 GACKGJRRGAAMIM-UHFFFAOYSA-N 524.577 6.132 5 40 KKBB Brc1ccc2c(-c3cccc4ccccc34)c3cc(Br)ccc3c(-c3cccc4ccccc34)c2c1 100070048 HDGCGHBEIGZDSX-UHFFFAOYSA-N 588.342 11.158 5 40 KKBB C[C@H](Nc1cc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100309986 HJNRGABMMPFDEW-ZBBKGZSWSA-N 569.684 5.031 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 100390467 KIRCSOIFZZVGLH-GOTSBHOMSA-N 534.952 6.077 5 40 KKBB O=C(c1cc(Cl)ccc1[N+](=O)[O-])N(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cc(C(F)(F)F)ccc1Cl 102233276 IQGJTIXJQITNIK-UHFFFAOYSA-N 562.671 6.969 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc([N+](=O)[O-])o1)N1C(=N2)C(N2CCN(c3ccccc3)CC2)=Nc2ccccc21 102940070 GJBLQVHEFCQPPK-PMERELPUSA-N 584.640 6.187 5 40 KKBB COc1ccc([C@@H]2[C@@H](C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)CCC(=O)N2c2ccc(C)cc2)cc1OC 103121183 OHTMIZHAGDSHDG-RBJSKKJNSA-N 562.575 5.015 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105317283 QNCWUFSKENLHHK-UHFFFAOYSA-N 590.061 5.597 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105317592 VYWUVQPMCAJOJZ-UHFFFAOYSA-N 596.090 5.659 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 106724268 SAAMECFYFLNVJT-QRVIBDJDSA-N 555.406 6.181 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)c([N+](=O)[O-])c1 111467973 ITNREWGYTBQIQO-ZGOFBEGVSA-N 598.662 5.112 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]23)cc1 150365336 YUBUBTHBZIIYES-MHDNGKQISA-N 662.698 6.801 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 150670569 AJPAWSLQFZNEDZ-AGSVCEGISA-N 705.981 8.744 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(-c5ccccc5Cl)n4-c4ccccc4)cc3s2)c([N+](=O)[O-])c1 163948338 JHFQYTYYXSNFEK-UHFFFAOYSA-N 718.242 7.576 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223679696 HRYKXPJOMZFGLX-OGVWKLGRSA-N 725.239 6.454 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)cc1 224787608 DWXGDFGCVKLTFJ-VMPREFPWSA-N 619.555 8.885 5 40 KKBB COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 225099406 KERWIBXMHNSFPL-HHHXNRCGSA-N 600.499 5.988 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225706526 SJHMROCFIYMAGP-RBTNQOKQSA-N 679.623 6.136 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261007130 RIUVKPIIFHJCKG-MGBGTMOVSA-N 675.207 6.142 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(Br)c2)n1-c1ccccc1 408570377 LGQPKGDDORNNLD-HHHXNRCGSA-N 575.488 7.181 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408570721 LZHOCEGAGOHEQY-QHCPKHFHSA-N 658.789 7.996 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccccc1Oc1ccccc1 408602966 DLLBRCNGSJWKQF-UHFFFAOYSA-N 503.536 5.221 5 40 KKBB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408607325 JYLOZJIMJLBAJY-UHFFFAOYSA-N 548.333 5.487 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408676693 BFDCJZYUIVHYBA-HCXPYDJZSA-N 529.552 5.044 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12 408720309 KZDQCOHLCFMGTN-PSQNISHLSA-N 520.585 6.009 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408735592 UWBVRZTYFWTHGV-OBDCIHEFSA-N 631.707 5.381 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1 408736667 DXTQWWMEMSYTQI-LJAQVGFWSA-N 532.600 5.883 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408753763 CKHWLCAOZBCTCO-ISZRBDKASA-N 727.580 6.419 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c(OC(=O)c5ccc([N+](=O)[O-])cc5)ccc5ccccc45)c(=O)n32)c1 408764994 AZXVFJXEDNJESO-IMMOAUGXSA-N 696.741 6.163 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408823882 FSRUEXPGVVKKJN-KEPJHFNWSA-N 771.484 6.598 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408938374 LQQISLIZQKGHOI-MRWVFDTMSA-N 783.641 6.076 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408984902 NGYGKSGQKANWSM-JREUYWDSSA-N 700.773 5.864 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409086273 GRBWZISNKGJYCA-CUJRCQHQSA-N 695.779 5.198 5 40 KKBB O=[N+]([O-])c1cnn(Cn2nc(-c3ccc(Br)cc3)c(Cl)c2-c2ccc(Br)cc2)c1 2733474 QRPOXQBDLJAHFD-UHFFFAOYSA-N 537.599 6.006 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 3669588 AMGCEZGMJXYYSL-UHFFFAOYSA-N 520.419 7.065 5 40 KKBB O=C(C[S@@](=O)c1ccc(SC(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(SC(F)(F)F)c1 8741814 XDLLNEFNTYUJEN-HKBQPEDESA-N 504.455 5.565 5 40 KKBB COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC2 9391261 GTZMTZSYIZHFTG-QFIPXVFZSA-N 500.910 5.223 5 40 KKBB O=C(CN(C(=O)c1sc2ccccc2c1Cl)C1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 13371955 UTAZOWSHVLIIOP-UHFFFAOYSA-N 506.411 6.530 5 40 KKBB CC1=C(C(=O)Nc2cc(C)ccc2C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2cc(C)ccc2C)=C(C)N1 31772127 CLFWMPLPODISRU-UHFFFAOYSA-N 524.621 6.341 5 40 KKBB COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(Br)cc3)cc12 59524407 LPHLTDMAAKRXOO-UHFFFAOYSA-N 573.377 5.234 5 40 KKBB O=C(c1ccccc1F)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 103548331 JGNJRRHOXRHTNS-KCIBBDPESA-N 559.553 5.590 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3n2)c(C)c1 105354653 YRLIMHUGVKYGKK-UHFFFAOYSA-N 549.056 6.912 5 40 KKBB O=C(Nc1cccc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)/C(=C/c1cccc(F)c1)NC(=O)c1ccccc1 113563944 OBIVSTWMSFMDMW-VBSNSAIWSA-N 610.623 5.568 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccccc1 150503125 MKPRRHOJVBNNST-FVUNBJOLSA-N 727.580 6.419 5 40 KKBB O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 163306601 QUVDOTWIGASXCW-SELCLYCASA-N 729.450 7.331 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(Br)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 163988769 QDCNQWWEXTZQJJ-MHDNGKQISA-N 709.596 8.163 5 40 KKBB CCOc1cc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 164808548 XGWBSWSHTBOJSX-UHFFFAOYSA-N 691.522 6.193 5 40 KKBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1 224647839 GEWVRSWGOBTPDO-URLMMPGGSA-N 533.613 6.750 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260759748 FRTLLUBXCIFTQO-LJQANCHMSA-N 700.041 6.399 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261109043 XOBWNDXXSNWXKQ-UKJJDJLKSA-N 646.741 5.484 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 408554767 DFNMPMPHLSXDSC-UHFFFAOYSA-N 581.794 5.799 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 408565770 MCQILYCHOHJUDX-UMDVNSCSSA-N 578.463 5.481 5 40 KKBB CCn1c(S/C(=C\c2cc(Br)cc([N+](=O)[O-])c2O)C(=O)O)nnc1-c1ccc(Cl)cc1 408632649 GIUFHZDYORXZMN-NVNXTCNLSA-N 525.768 5.213 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408643182 PCIRFCHCANPJOY-QKCPIRFBSA-N 720.991 6.588 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1 408733122 DXSOOIPDXCZAMZ-MHDNGKQISA-N 662.698 6.801 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 408978534 IYTLJXSXQZDCTG-XQAWFANUSA-N 688.940 5.400 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc(F)cc1 409170576 VOCDDZRHHSKBDK-UFFVCSGVSA-N 640.365 6.983 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(I)cc1 409256453 LHOIRUAJGYZLRH-FBHDLOMBSA-N 725.271 6.337 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409258585 YDIKAQVTJYNWGV-OYKKKHCWSA-N 659.458 5.852 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(I)cc1 409264657 QUTVCRUKEIPHCU-NHDPSOOVSA-N 646.375 5.575 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409369618 RUGYGINKPYVWJP-UHFFFAOYSA-N 587.636 7.162 5 40 KKBB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 1852856 FALBPPCYDGXNDK-UHFFFAOYSA-N 515.905 6.704 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14276327 REZSHPATFSYPDG-UHFFFAOYSA-N 514.563 5.095 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 16611101 NXNUNBFJIHEPEI-CQSZACIVSA-N 508.987 6.697 5 40 KKBB COc1ccc(-c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)cc1COc1ccc(Br)cc1 98046133 VJHUKBFKDOTQDT-UHFFFAOYSA-N 546.450 6.521 5 40 KKBB CN1CCc2c(sc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)c2-c2nc3ccccc3s2)C1 100818243 IFMHKQAFJICABW-UHFFFAOYSA-N 523.639 6.525 5 40 KKBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2Cl)CC1 103933423 CMFCTHRDGUBNLN-UHFFFAOYSA-N 535.453 6.063 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(Br)c(Br)c1O 106739568 JLYXUYDCQAUIKP-ZSOIEALJSA-N 558.204 5.461 5 40 KKBB O=C(Nc1cccc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)/C(=C/c1ccccc1F)NC(=O)c1ccccc1 113564274 AVYQRMUDSOGKRZ-WAWVYTBHSA-N 610.623 5.568 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c2=O)=N1 163467331 UXBVWBDSNKVJKB-HZHHUVPKSA-N 781.669 6.802 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 214490746 IFXIDFQYSNXLGS-OEAKJJBVSA-N 612.458 6.010 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222665161 LTIGRXXMMWLUMM-AREMUKBSSA-N 621.543 5.429 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223216581 PNWLGVRNSUMTOA-NRFANRHFSA-N 665.596 5.748 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224420448 VZPZTTSSLOCCRL-HKBQPEDESA-N 693.620 5.719 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(Cl)s3)cc2)cc1 224761252 NLPICLHTDTZWOA-XZOQPEGZSA-N 525.080 7.033 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260959586 GVVZEUBEJYSQGS-PGUFJCEWSA-N 719.260 6.459 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408569065 IOKBGIKRZNHVNU-HSZRJFAPSA-N 590.445 6.488 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Br)cc1 408571402 OQBZVUWAFZOWHR-VWLOTQADSA-N 569.481 6.426 5 40 KKBB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)c1 408680019 FVANEWMIJFTLJM-HZCFWTAGSA-N 682.127 5.290 5 40 KKBB Cc1cc(Br)ccc1-c1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1ccccc1O)C2=O 408758417 ZXNAXUCYAXKQBP-UHFFFAOYSA-N 503.308 5.992 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n32)c1 408768084 HWFUMRVNADKYAS-OIUASMPBSA-N 884.490 6.579 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408769490 MXNJHHGCTFOZCS-RIFKOAFWSA-N 758.603 5.859 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 408926516 UPBLTVJXUAWQCB-QARYAGPDSA-N 610.113 5.730 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OCc5ccc([N+](=O)[O-])cc5)cc4Br)c(=O)n32)cc1OCC 408943804 MEKACQSSTFJRAO-IMLSNNMKSA-N 724.586 5.074 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n21 408946851 ISUIKYKAPCYQJE-VAJDVHEVSA-N 789.708 7.991 5 40 KKBB O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 409028414 NPFTXPMJLCEUGY-UHFFFAOYSA-N 513.881 5.101 5 40 KKBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1[N+](=O)[O-] 409048040 QNSPGDUAQYIPOV-SUCLOZJKSA-N 660.682 6.709 5 40 KKBB COC(=O)COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409132229 LUCCVJPLTMMUMX-SSEXGKCCSA-N 537.572 5.508 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O 409240800 IBFVAAAJOCULHN-VXLYETTFSA-N 507.362 5.391 5 40 KKBB O=C(Oc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 990666 QXCDUSSKTXRFRJ-PAIGMYNKSA-N 516.509 5.211 5 40 KKBB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c(C)c(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 16779788 HEEFQDKSSTZKKA-UHFFFAOYSA-N 521.595 5.750 5 40 KKBB CCn1c2ccccc2c2cc([P@](=Nc3cc([N+](=O)[O-])ccc3C)(Oc3ccc(Br)cc3)C(C)(C)C)ccc21 97984389 PEYAFPMLCZZZMS-KDXMTYKHSA-N 604.485 9.744 5 40 KKBB O=C(NN1C(=O)c2cc(I)ccc2N[C@@H]1c1ccc([N+](=O)[O-])s1)c1ccc(OCc2ccccc2)cc1 98045868 YMIZJILEGASLMX-DEOSSOPVSA-N 626.432 5.751 5 40 KKBB C[C@@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100097725 UEHIQHAGEMILKQ-AOXVDABRSA-N 603.583 5.885 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1NCCc1ccccc1 100302134 HLWDBIVKPNFSTH-UHFFFAOYSA-N 535.453 5.067 5 40 KKBB C[C@H]1CN(CCCNc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C[C@H](C)O1 101025699 ZPTUJUIJPSRSCZ-PMACEKPBSA-N 539.676 6.150 5 40 KKBB CC(C)(C)c1ccc2c(c1)[C@@H]1c3ccc(C(C)(C)C)cc3[C@@H]2[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 101410934 DXEVLMYTGDEGKM-PUHABZHSSA-N 508.618 6.586 5 40 KKBB CCn1c(=N)c(-c2nc(-c3ccc(C)cc3)c(NC(=O)c3ccccc3)s2)cc2c(=O)n3cc(C)ccc3nc21 101909851 KRFKRSXEVZXODR-UHFFFAOYSA-N 546.656 5.808 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)[C@H]3C2=O)cc1 102449194 XSUMLPOZXOCJPB-PKTNWEFCSA-N 555.612 6.163 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6cc([N+](=O)[O-])ccc6OC)o5)c(=O)n42)c2ccccc2CC3)cc1OC 104658036 NNHMTZYLRJBRJC-DXUGRCAZSA-N 621.671 5.513 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c2=O)=N1 104676778 FTSFCWGYBRSBDK-MFUBYVTQSA-N 614.518 5.078 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 106739108 CDOZOPMVDJXXFY-OYKKKHCWSA-N 535.534 5.717 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106739788 GOEFALAJUDIRTR-NHDPSOOVSA-N 529.933 6.210 5 40 KKBB Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)C(C)C)cc1 147935509 ZLPARJNIRCATJY-QFIPXVFZSA-N 565.681 5.013 5 40 KKBB O=c1/c(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 163303331 GWUFUYKARZWOOT-YCBDPUBJSA-N 682.805 8.352 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224130846 XCQAMKJSESBLMJ-UMSFTDKQSA-N 672.804 5.582 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 225577737 FJIYURNMKQFHFN-SXOMAYOGSA-N 526.622 5.090 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225599174 HNSCJXSXRUMHDZ-UUWRZZSWSA-N 741.694 6.970 5 40 KKBB Cc1ccc(COc2ccc(Br)cc2[C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1 408575043 VRMFVHKYJYJVBV-DEOSSOPVSA-N 573.900 6.989 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)c1 408576074 XHHBIMPDNXDLDK-NDEPHWFRSA-N 589.515 7.489 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C/c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)C(=O)O)o2)c1 408631931 HGUXBMDWAHBEKG-SSDVNMTOSA-N 537.575 6.031 5 40 KKBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408639584 GAMKVEWEXPPOSC-LJQANCHMSA-N 526.332 5.217 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408687556 UPHYXFFSTYNZNV-UOIPHLHCSA-N 666.128 5.590 5 40 KKBB COc1ccc(-c2nc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 408723089 QGNNBIDNLPPFPG-UHFFFAOYSA-N 506.496 5.563 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 408772673 FCOYLZDOGILGFJ-JOHYPREOSA-N 772.699 6.916 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(SC)cc1 408775404 GLIUJOHVPKVEBO-MDINZUHSSA-N 686.815 6.569 5 40 KKBB CN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 408821574 JANYEFAKKNSTCJ-NVNXTCNLSA-N 575.178 5.207 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408824901 BFVQKCNLOWVUFL-FWESEHMYSA-N 625.634 5.252 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccs1 408913663 NHJHKXLNZMGABT-OINPTKSXSA-N 732.634 6.255 5 40 KKBB S=C(Nc1cccc(Br)c1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408974238 DNXNMGFYHSXNJI-UHFFFAOYSA-N 511.408 6.451 5 40 KKBB Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4[N+](=O)[O-])sc3c2)nc2sc3c(c2c1=O)CCCC3 408984188 MBMHKLUYLQYKBE-UHFFFAOYSA-N 652.805 5.853 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408988491 DPRNDEPGQNUYBP-IQPMGOHCSA-N 723.829 6.043 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409006766 LILXPTOAGHHNLQ-HAHDFKILSA-N 569.433 6.224 5 40 KKBB CC(C)Cc1nc2sc3c(ncn4c(SCC(=O)N(C)c5ccccc5)nnc34)c2c2c1CCCC2 1246236 JZGPFGLHNXTLNX-UHFFFAOYSA-N 516.696 5.720 5 40 KKBB Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 1755558 PSRUPYSTPPRIPQ-LJAQVGFWSA-N 545.661 5.162 5 40 KKBB O=C(Nc1cc(Oc2ccc(Cl)cc2C2CCCCC2)cc([N+](=O)[O-])c1)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 8432498 QUNXMMJAYYMPBE-UHFFFAOYSA-N 704.920 10.376 5 40 KKBB CC(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1 8838126 YPSIHNMZHPUNKW-KMRWNETISA-N 530.713 6.697 5 40 KKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2 14357026 DXAAWPATHJRMLE-HEHNFIMWSA-N 513.549 7.321 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3cccc(Cl)c3)CC2)cc1 17192152 RRVAZOSRXSGAIM-UHFFFAOYSA-N 510.985 5.976 5 40 KKBB O=c1/c(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)sc2nc3ccccc3n12 50860282 KEMRQCWNABCAMM-KEBDBYFISA-N 517.872 5.830 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 100390266 RTNVAJNLXMVGNA-UHFFFAOYSA-N 527.920 7.115 5 40 KKBB Cc1c(C(=O)NCc2nnc(SCc3ccc(Br)cc3)n2-c2ccc(F)cc2)cccc1[N+](=O)[O-] 100816770 MFOWLSUFBQPJJV-UHFFFAOYSA-N 556.417 5.608 5 40 KKBB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5ccc6c(c5)oc(=O)c5ccccc56)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 102805277 HCSFRBRVRMVEBY-LHUZUAFYSA-N 652.916 10.668 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103520551 VOJWIUIYLOAAIG-PBNWVGGGSA-N 610.453 6.883 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105307969 LNITWOOIFKYESM-UHFFFAOYSA-N 564.067 6.907 5 40 KKBB CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2Cc2ccccc2)c(C(=O)OCC)c1C 150391285 QTCXLABIYKISRU-FQEVSTJZSA-N 694.792 5.316 5 40 KKBB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223351764 GGMLBHZTICXWQP-HSZRJFAPSA-N 671.987 5.621 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223956656 UAMYXHINBIMESS-FQEVSTJZSA-N 696.020 5.467 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)o1 225621211 DCEYONQXUZJBQB-SXOMAYOGSA-N 561.595 5.399 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 408573507 SZKYTAKLDCOPOU-DEOSSOPVSA-N 579.893 7.234 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 408638139 BZAPNDQRHVIOQX-HGMMTPDKSA-N 610.450 6.355 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1 408644408 FNLGGNIKMANICC-UHFFFAOYSA-N 541.944 5.340 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n21 408958948 XNTXVJNAWUEYSP-PNQAETMRSA-N 715.626 6.178 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 408983658 GXVSFRBZFKQSDX-LLXISZFLSA-N 726.605 6.194 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408999664 XENPNJLEYNUDEH-PEPUGYCWSA-N 821.569 7.670 5 40 KKBB Cc1ccc(-c2csc(NC(=O)CSc3n[nH]c([C@@H](NC(=O)c4cccc([N+](=O)[O-])c4)C(C)C)n3)n2)cc1 409163988 AXZWLGBRPRZBEU-NRFANRHFSA-N 551.654 5.003 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br 409189178 DYWIPMNKBIHFES-SOJUGJLBSA-N 840.178 6.959 5 40 KKBB O=c1oc(-c2cccc([N+](=O)[O-])c2)nc2ccc(Cc3ccc4nc(-c5cccc([N+](=O)[O-])c5)oc(=O)c4c3)cc12 3142722 COZAFOCZYFHGOC-UHFFFAOYSA-N 548.467 5.431 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1 6194279 DZPJCJMEXZTBCM-UHFFFAOYSA-N 508.991 5.480 5 40 KKBB CC(C)c1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc3ccccc3c2=O)cc1 12311894 BUJCBHNWNXOTGJ-UHFFFAOYSA-N 508.987 5.802 5 40 KKBB CCC(C)(C)[C@@H]1C/C(=C/c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2nc3ccccc3c(C(=O)O)c2C1 97981449 NGFKLAKZYLNZKA-XLXASQRYSA-N 543.649 6.660 5 40 KKBB CCOC(=O)c1c(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)sc(C)c1C 100816048 NDDWDIUNRULTLD-FSSWDIPSSA-N 555.996 5.154 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 102077526 UETCURFXUHVMSX-XGOVMHJQSA-N 598.995 5.638 5 40 KKBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1 105315799 ZMCJALGSGJLCGB-MRXNPFEDSA-N 543.715 5.023 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 229641240 OYDUHNVBJBYTNM-GYPIRZFJSA-N 620.459 6.339 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260976468 APXMWRPEKZANLC-WJVKJDHCSA-N 686.831 5.970 5 40 KKBB COc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 408530963 SYPFZGJMNQOQET-UMSFTDKQSA-N 634.714 7.078 5 40 KKBB CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408570086 YPZGQUQWXDXXLP-DVKBMCPXSA-N 577.262 5.857 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc2ccccc2c1 408572713 RWQKEQFJLKQLML-GDLZYMKVSA-N 540.645 6.817 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 408572762 RYQOSXIKWQBCLX-QHCPKHFHSA-N 563.438 6.719 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)C(=O)O)o1 408635229 ZKHNDVFIECMZEU-UDWIEESQSA-N 516.963 5.515 5 40 KKBB Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1C 408637422 KDVAUULNIRTHAW-XMMPIXPASA-N 580.593 6.575 5 40 KKBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]12 408653887 QBRFIGUIZRUENV-GRMVFTJISA-N 608.434 6.131 5 40 KKBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408682648 LAONSGYIYWVGNB-BYVQZYKMSA-N 587.588 5.095 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408833498 RPWIHXJVUZGVOD-UQDCTOEPSA-N 634.110 5.256 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)cc1 408836869 WLKGFUSULPKKSA-IYVASWNSSA-N 727.431 6.119 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408910613 ISFGTAWJBWAKIB-POKSHJSXSA-N 656.116 6.156 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408993072 BWSSWLNLOZWUQF-KLKBWYFJSA-N 648.535 5.435 5 40 KKBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409019357 ISOMCZWUSYLDRJ-SGEFVQMOSA-N 708.268 5.371 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccc(Cl)c2Cl)N1Cc1ccccc1 409115403 IYACMGWFXXVYCH-MHZLTWQESA-N 518.400 7.263 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 409143797 JFCSMXDEDSLVBQ-UAMLYEQYSA-N 664.769 5.349 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 409174277 QPUWHSBQCSUBAL-AGSVCEGISA-N 620.636 6.923 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 409205647 JBQJNYURFTUFOL-JMIUGGIZSA-N 524.942 5.419 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1Cl 409272184 MFSBWTKPVLFNDH-LSHDLFTRSA-N 584.950 5.632 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409274432 WUXVEUVUCSMDSN-USDTVRPUSA-N 639.174 5.385 5 40 KKBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(I)c1OCc1ccccc1Cl 409331800 NYFOYPBSMMCOMV-FPLPWBNLSA-N 569.739 5.202 5 40 KKBB O=[N+]([O-])c1c(O)nc(/C=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)nc1O 409346547 LIPWZYWPQBAKIE-RJRFIUFISA-N 592.027 6.377 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl 409355139 JEWUOHIXHHVCKM-OAQYLSRUSA-N 545.065 5.416 5 40 KKBB CC(C)(c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1859175 FACHCSCYMPCYTK-UHFFFAOYSA-N 598.611 5.364 5 40 KKBB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)s2)c1C 2655360 BLDIGLSDLIJPGW-CQSZACIVSA-N 512.642 6.050 5 40 KKBB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)[C@@H](/C(C)=N\Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H](C[N+](=O)[O-])C[C@H]32)C1 8406373 UCEHKNHPQSKYBD-ZIMAEPCBSA-N 597.669 6.304 5 40 KKBB biogenic Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1Cl 9971713 UKOLTBLWHVBRKY-PWHYTNLZSA-N 537.104 6.536 5 40 KKBB O=c1c2cc(Br)ccc2oc2nc(-c3ccccc3Cl)n(CCc3ccccc3)c(=O)c12 11851721 YUUKCNUSEBACNN-UHFFFAOYSA-N 507.771 5.829 5 40 KKBB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 14279427 PUWCKRYIRUDFSR-UHFFFAOYSA-N 510.550 5.378 5 40 KKBB C[C@@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100328068 ZZIOMTWLAMOBJV-AOXVDABRSA-N 542.677 5.262 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](C(=O)c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101310522 OSHSCLJTDFLDGI-FJUJMQFGSA-N 547.592 5.638 5 40 KKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2Br)cc1/C=C\c1ccccc1Br 104108609 XPNJDUJJRXINIT-DSOJMZEYSA-N 530.172 7.369 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 104907776 PVZCXFMQZDGQHV-UHFFFAOYSA-N 526.849 5.523 5 40 KKBB O=c1/c(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 163768346 QDQCIDXOXSSIAI-OIUASMPBSA-N 647.625 5.836 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223631704 SSPQVKACSVQSBD-DEOSSOPVSA-N 560.434 5.065 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224598826 LGONQGRZZUTQEC-AREMUKBSSA-N 635.570 5.222 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 224899932 WAHULCSQSNTIAN-INIZCTEOSA-N 538.428 5.155 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247335652 QOTPHVVLIPXXEX-UPOHCCNUSA-N 610.453 6.883 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1C 408567721 HFFRSDIYXSHJOI-VWLOTQADSA-N 622.372 7.951 5 40 KKBB O=C(O)/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)Sc1nnc(-c2ccc(Cl)cc2)o1 408634960 VVAFWMYLIIOUSV-QRVIBDJDSA-N 532.965 6.519 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408640638 BFWDOOGOEIASRV-NNMFVCILSA-N 608.434 5.965 5 40 KKBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 408651699 NVRUDHDLCOEDAC-YSLVQDFJSA-N 636.444 5.558 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408689239 XZFDNWBKZIBGIZ-QKCPIRFBSA-N 697.098 5.190 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733905 RMBYWVGASLCLID-LABHGBKVSA-N 704.588 7.161 5 40 KKBB O=c1/c(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408756614 RILGRRYTBHJMCL-DDIUQFJASA-N 729.450 7.331 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)S2)cc1 408775393 SMLVLCQUZJIXAH-SCRHHBKZSA-N 617.465 5.949 5 40 KKBB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)S1 408816927 ZINMFFWOWIAKIO-UHFFFAOYSA-N 518.018 6.631 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408908442 DYJODBKIJMKPMP-WAHKBFHJSA-N 691.762 5.830 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408916473 CVGNVLIWWZSWBR-YDZHTSKRSA-N 521.507 5.327 5 40 KKBB O=C(O)c1ccc(COc2c(Cl)cc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)cc1 408917532 WNLNCHLYVRGXES-SRZZPIQSSA-N 559.383 6.415 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c2=O)=N1 409050789 ZTHDBIRTFNJBIA-CRCYZHLCSA-N 731.419 6.280 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2c(s/c(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)c2=O)=N1 409082322 IXLDMQIXZSZMFY-XGLZOBASSA-N 821.431 5.883 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 409102828 UIRHZAHAKCURDJ-YOWYGEOISA-N 663.781 5.908 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409151023 FZCXFCPFIKFGHA-AFUMVMLFSA-N 579.656 5.969 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409160489 YUNGCHJLWIYVLK-AFUMVMLFSA-N 547.589 5.474 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)n1 409176371 LVVPFXBYVFQKAN-UHFFFAOYSA-N 621.558 7.197 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(Br)c(Cl)c1 409201929 RFLPFLYOFWGGBQ-ZVBGSRNCSA-N 656.820 7.497 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409223148 HFQBHODBLSPXJR-JMIUGGIZSA-N 558.931 5.258 5 40 KKBB CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)C1 409336876 QREHJSPZHBWNOJ-GOSISDBHSA-N 523.666 5.157 5 40 KKBB Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc2cc(Br)ccc2o1 409345454 ITJCHHSMBQWDQB-UHFFFAOYSA-N 522.768 5.283 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409372884 RUPBMHVWYHCHHN-UHFFFAOYSA-N 582.016 7.497 5 40 KKBB CCOC(=O)COc1cc(NC(=O)c2sccc2Oc2ccc([N+](=O)[O-])cc2F)c(Cl)cc1Cl 1397970 ROCGIHQSVDAYCU-UHFFFAOYSA-N 529.329 6.089 5 40 KKBB CC(C)c1ccc(-n2c(O)c(C(=O)c3ccco3)c3c2nc(-c2ccco2)[n+]2c4ccccc4sc32)cc1 3236156 OTGNIKRNSIFOCB-UHFFFAOYSA-O 520.590 6.892 5 40 KKBB Cc1ccc(-n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc3sc4c(c3c2=O)CCC4)cc1 3434116 QGOQLEZSSYEOPG-UHFFFAOYSA-N 507.593 5.311 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)[C@@H](C(=O)c1ccccc1-c1ccccc1)[C@@H]1OC(=O)c2ccccc21 102971353 VIMRAHCTUDYZIT-GGXMVOPNSA-N 534.524 5.489 5 40 KKBB C[C@H](OC(=O)c1oc2ccccc2c1COc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 103056756 TYIKMMCMWMWVIH-HNNXBMFYSA-N 528.439 6.123 5 40 KKBB O=C(COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 103094685 GYAPJDFTBTUPFC-DHZHZOJOSA-N 542.495 5.723 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6OC)o5)c(=O)n42)c2ccccc2CC3)cc1 104656909 YKZJEQBBRDKXMK-MRWVFDTMSA-N 591.645 5.504 5 40 KKBB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105308012 YGBRWYNQULOLHW-UHFFFAOYSA-N 543.649 6.562 5 40 KKBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 105394568 NLPMJYGSEQESLO-JLHYYAGUSA-N 537.016 5.855 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1ccccc1 107870677 LUIFMSNOFRNTJA-UHFFFAOYSA-N 500.536 5.542 5 40 KKBB O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 138784450 GQTHMPCKQCUVJI-UHFFFAOYSA-N 546.363 5.985 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 197884463 VIZJBLNOWGMNHA-QHCPKHFHSA-N 579.708 5.496 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223713754 HNGLURHBWJBVPF-KDYSTLNUSA-N 537.657 5.522 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223803441 HJBDHHCVABFDOI-HHHXNRCGSA-N 601.125 5.167 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225149207 HQKNIWOYZBDSKE-SANMLTNESA-N 645.178 5.403 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 408564887 AQWKRKZMJBSWKY-DEOSSOPVSA-N 563.438 6.719 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1 408573443 SWHGFALQJZEONO-XMMPIXPASA-N 569.481 6.426 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)O)n[nH]2)c1 408633846 PXXSQCUBCRHMMP-JAIQZWGSSA-N 573.381 5.637 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408638919 DOIWIJDVFKLWBO-WVZRZZCNSA-N 697.098 5.190 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408642324 MVDJADDVAKPGEN-IKTNGCAPSA-N 841.098 7.808 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 408651674 HCZHWDLWWDEQRU-NVFZYCOYSA-N 627.436 5.732 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408680747 GHXYOAOUKWZGAD-FZDFQQAASA-N 598.442 6.351 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731930 QWJLPLJGIHFDRF-USBYOSQFSA-N 780.812 6.289 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408765886 RHSKDJMNSQOEED-PEPUGYCWSA-N 787.601 6.324 5 40 KKBB O=c1/c(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408772722 HMLICOPFPVSHBX-HZHHUVPKSA-N 589.648 5.945 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccccc1 408820822 ZELAJRJUSGLWHZ-BKUYFWCQSA-N 558.353 6.019 5 40 KKBB Cc1ccc(-n2c(-c3ccccc3)cc(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)c2-c2ccccc2)cc1 408839358 RAYREMKJGXKGKY-PSANAXBTSA-N 696.832 8.660 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408933046 GZKQHCDSPLQZJR-MYYYXRDXSA-N 547.589 5.556 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409168323 QDPOJCVXNYSREU-UHFFFAOYSA-N 673.169 5.817 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409222649 CWXMJHSFFHTXMJ-BHGWPJFGSA-N 662.312 6.627 5 40 KKBB O=C1N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1ccc(Cl)cc1 409230419 CZEQJJTZDIUVKI-RGVLZGJSSA-N 701.642 6.134 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cc2cc(Br)ccc2o1 409363085 UKFKXCHUCALTBW-UHFFFAOYSA-N 502.350 5.113 5 40 KKBB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 409382209 ZENCORFZLCETSB-OAQYLSRUSA-N 515.975 5.604 5 40 KKBB CCOC(=O)/C(=C(/C)OC(=O)c1ccccc1)c1cc(/C(C(=O)OCC)=C(\C)OC(=O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 4265500 QMMDWKLQOPFQGC-RSSRHXQMSA-N 632.578 5.805 5 40 KKBB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5ccc6c(c5)oc(=O)c5ccccc56)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 70665224 HCSFRBRVRMVEBY-RVWIWHEQSA-N 652.916 10.668 5 40 KKBB biogenic CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1OCC 97952059 CQASUEWVQMEZMY-QFIPXVFZSA-N 538.597 5.765 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)C[C@H](C(C)(C)C)C2 97979670 NZGXUCPHRRBDOY-YKRMCXMESA-N 585.682 7.158 5 40 KKBB COc1ccc(C(=O)Nc2ccc3oc(-c4cc(I)ccc4Br)nc3c2)cc1[N+](=O)[O-] 100364269 WLRQBEKDZSNCRG-UHFFFAOYSA-N 594.159 6.031 5 40 KKBB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)c1 101127735 QJTICNCAZQDWIA-QUMGSSFMSA-N 542.979 5.019 5 40 KKBB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 103049393 XGOULTZLOVAYIA-UHFFFAOYSA-N 539.557 5.576 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(F)cc1 103753664 ZYFPJAJBBVVMGR-OINPTKSXSA-N 609.635 5.551 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150395651 RGDHKXMCXLQUNJ-WGJPBTIMSA-N 667.696 5.130 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4Br)C(=O)[C@H]23)cc1 163993501 GEDAZBQQEHNXOF-OFRZWCKSSA-N 709.596 8.163 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 214396167 UHNYTRRERCUERV-NUGSKGIGSA-N 624.296 7.488 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1c(F)cccc1Cl 215104075 GQZTYBBAHWRMOA-UFFVCSGVSA-N 552.889 7.435 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 215193248 CSEWGPQGXGBLRC-FSJBWODESA-N 670.403 7.646 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)C1 224150106 ZCUHWIAVXUBRDS-CIGLBZRHSA-N 588.133 7.563 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224988624 OIYNZJSBVGEVRQ-HKBQPEDESA-N 693.620 5.717 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)CC1 225003977 SNIUOVKOLSUWQL-VMPREFPWSA-N 574.106 7.317 5 40 KKBB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)C(C)(C)C 225111262 QLPYISKVCGFBSQ-KAYWLYCHSA-N 570.675 5.951 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C 225279915 AFZWWOVZKVZSJK-SVBPBHIXSA-N 543.605 5.320 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225624168 LAGOJABOAQEDNX-XIFFEERXSA-N 776.139 7.624 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261103461 WRRNZRGAQRDUCU-QNLPTKCRSA-N 697.641 6.652 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408563811 AXISQPVHCFXRBU-MOFYXIDTSA-N 566.452 5.303 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 408565941 DIZVYWSFRUOERW-RUZDIDTESA-N 573.046 6.465 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)cc1C 408567612 GYORCFGJQQCPCV-RUZDIDTESA-N 553.482 6.644 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408576004 XDTWMKSMXNHCLO-XMMPIXPASA-N 545.448 6.580 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408685150 OUQXAMBCGQQOAL-SNINSWTHSA-N 669.088 5.507 5 40 KKBB Cc1cc(C)cc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 408736586 CZZRMQWTMOBFLZ-NDEPHWFRSA-N 507.590 5.710 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 408837623 KBYFCYMKYFJHHE-NKYAOSOXSA-N 679.629 5.679 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl 408838057 BTGSVYPODGOHLH-WOJGMQOQSA-N 539.352 6.680 5 40 KKBB COc1cc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409191499 XONWODYQDWLKPO-HTMSNVIRSA-N 534.908 5.229 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409198329 COBVPEUDAKMZFD-LPYMAVHISA-N 599.381 5.270 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409273201 JAPZRXYMDWYTOI-AFUMVMLFSA-N 563.544 5.400 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409375560 MNDOVAWIOUQJLK-QFEZKATASA-N 685.496 5.408 5 40 KKBB COc1ccc([C@H](C)N([C@@H](C)c2ccc(OC)cc2)p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)cc1 1857775654 WZONQGCZSGKCCW-UIOOFZCWSA-N 599.667 11.074 5 40 KKBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2284727 UCNHOCZKIFDUCZ-UHFFFAOYSA-N 524.422 5.851 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1OCC 8452266 VVBNXVNRDWDPIQ-XGLKJEJJSA-N 578.690 5.512 5 40 KKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 12584085 YIPZGCHDWXYUFP-UHFFFAOYSA-N 505.353 6.435 5 40 KKBB CCOc1ccc(NC(=O)COC(=O)c2oc3ccccc3c2CSC2CCCCC2)c([N+](=O)[O-])c1 14358288 CUYLSUUIUKCKKF-UHFFFAOYSA-N 512.584 6.101 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc2c1 16611047 OOEAHNJGIFUTEI-AWEZNQCLSA-N 519.539 5.952 5 40 KKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 21595391 YYRZMBKLDDGIIZ-UHFFFAOYSA-N 512.614 6.249 5 40 KKBB O=c1oc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc12 102415359 GPHWVSMOVUDEGG-UHFFFAOYSA-N 575.451 5.855 5 40 KKBB COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)c3ccccc32)cc1 103004639 XAFDGCPWXIDJEP-NLRVBDNBSA-N 613.652 5.166 5 40 KKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105314350 RWEOULVUOCDVSZ-UHFFFAOYSA-N 551.632 5.517 5 40 KKBB O=C(NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105315158 LIXMQVLFNABTKQ-UHFFFAOYSA-N 543.605 5.710 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 150389519 AYFUOHOFTNJEDT-LRAMOIDDSA-N 668.522 5.055 5 40 KKBB O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 150407952 QVSNNFQXJWIZPS-UHFFFAOYSA-N 690.222 6.597 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(I)cc1 150462561 PUQCFEAIWMHELY-UUYOSTAYSA-N 651.276 6.777 5 40 KKBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 222522552 QJLSTDKKGBHDFU-SSEXGKCCSA-N 575.731 5.926 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(F)cc3)cc2)cc1 224782101 RWCKUJNFUJVZBO-URLMMPGGSA-N 567.671 7.248 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225068702 ZZGWZVWDPXOTDE-UMSFTDKQSA-N 788.150 7.766 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260969654 MILFXVQFMBDGIB-HRFSGMKKSA-N 635.570 5.819 5 40 KKBB COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408559930 XDZPTCHBLCNPDQ-QFIPXVFZSA-N 603.800 7.609 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408676256 APUXPYINERKJPS-QYVZARNFSA-N 608.994 5.606 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(Br)cc3)c2=O)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408730423 GFAPBLSARRCEFU-DQARITGZSA-N 664.534 5.166 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408770457 XSDIICUSGKPEIH-FJNIOPPGSA-N 643.559 5.884 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4cn(S(=O)(=O)c5cccc([N+](=O)[O-])c5)c5ccccc45)c(=O)n31)c1ccccc1CC2 408770576 ZEIDKNNMLPRGKI-HAWPWTPLSA-N 674.760 5.427 5 40 KKBB O=C(Oc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1)c1cccc([N+](=O)[O-])c1 408787209 UUWBVVAZIJBCLE-NBQDTTAVSA-N 603.631 5.585 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917110 MUZJDVCZJQFFOF-WSDLNYQXSA-N 651.276 6.777 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1cccc2ccccc12 408917793 BEASAMSZIFIARU-UTAOYMJKSA-N 554.671 6.258 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408996074 NXWSVOLQKMWCEZ-LLXISZFLSA-N 677.760 5.785 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408999042 VXZDBMDSUBJWCV-QZROFMJUSA-N 703.817 6.945 5 40 KKBB O=C1N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccccc1 409010487 KREGKSDCWACLMQ-UDWIEESQSA-N 667.197 5.480 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c2=O)=N1 409081697 HPIOUVFVZWTJIS-LXYLXTGBSA-N 651.122 5.808 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 409090857 PEHJJLLSBSOQEG-DYCDSJFESA-N 747.451 6.752 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1cccc(Cl)c1 409166561 DBKTXPTWLCUGIM-VXLYETTFSA-N 518.334 5.837 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 409177427 DUMXEDDPFMXXQL-BUVRLJJBSA-N 517.563 5.411 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4cccc5ccccc45)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409181986 HHLCRGWAJCPIJL-HWANIQDNSA-N 642.737 6.171 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409205442 CNQKZMSBVDOZAK-QRVIBDJDSA-N 548.577 5.473 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409369218 ICONJSGCOHZDQM-WQNUKSJVSA-N 804.457 5.970 5 40 KKBB O=C1c2cc3ccccc3c(-c3ccccc3)c2C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 3142781 QDOVHDZZWATVJU-UHFFFAOYSA-N 502.551 7.367 5 40 KKBB COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 13924953 NLTOCRDDFPBDOJ-NDENLUEZSA-N 509.312 5.289 5 40 KKBB CC1CCN(CCC(=O)Nc2sc3c(c2C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H](C(C)(C)C)C3)CC1 15946937 YEUBUDIQEBUXRP-IBGZPJMESA-N 526.703 6.120 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc([N+](=O)[O-])cc1 32111980 MNVSHSBLMUMOPS-UHFFFAOYSA-N 502.939 6.336 5 40 KKBB COc1ccc(CCNc2cc(N3CCN(c4nc5ccc([N+](=O)[O-])cc5s4)CC3)ccc2[N+](=O)[O-])cc1OC 100104695 BTDKTRCBFJBHMB-UHFFFAOYSA-N 564.624 5.111 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 100949406 UUMGVPAVMBFNCK-YVBHXKDBSA-N 613.095 5.363 5 40 KKBB Cc1nn(-c2ccc(Cl)cc2)c(O)c1[C@@H](c1cc([N+](=O)[O-])ccc1O)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O 101527154 LQHSYCSRJXGYFC-VWLOTQADSA-N 566.401 5.775 5 40 KKBB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 102215968 WEXDPJUQXQKTBD-UHFFFAOYSA-N 536.438 5.322 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@]12C(c1ccccc1[N+](=O)[O-])[C@]21C(=O)N(c2ccc(C)c(C)c2)N=C1C 102572867 VSDLASVYIBIOBW-FIRIVFDPSA-N 535.604 5.744 5 40 KKBB CCN1C(=O)N(c2ccccc2)[P@@](=Nc2cc(Br)cc([N+](=O)[O-])c2)(N(CC)CC)c2cc3c(cc21)OCCO3 102940587 AIDXOLKLNJGFDB-KDXMTYKHSA-N 614.437 6.925 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccccc1)[C@@]21C(=O)Nc2ccccc21 103547732 YEKSFGXTSXPVKO-CDACFMRSSA-N 555.590 5.841 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c2=O)=N1 103826959 UPXVFEGZRSZFAQ-USDTVRPUSA-N 617.680 5.072 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)OC(c3ccccc3)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 103973498 YZABQCDDSCIHOQ-KWBMWPQYSA-N 585.616 5.626 5 40 KKBB COc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1 105314861 YHOKAVXJKKFWRR-UHFFFAOYSA-N 539.639 5.034 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 150394682 MJVAXSQFHLJMMC-FWESEHMYSA-N 642.089 5.766 5 40 KKBB Cc1ccc([P@@](/C=C2\N(C)c3ccccc3C2(C)C)(=NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccc(Br)cc2Br)o1 150423028 PXZVVROGUUQINO-KREHPSRISA-N 735.391 8.500 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 163700676 KHQSGKYURCFXRL-CBYYHRJHSA-N 640.537 5.451 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222755047 CGODORGCBMRVNX-HHHXNRCGSA-N 537.657 5.379 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222863837 MCCQVQCNWJVWHX-HKBQPEDESA-N 695.194 5.155 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223364961 PIUBWXFOYSKPET-VWLOTQADSA-N 526.058 5.258 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224384521 ILTSIRUDCGJZIJ-VWLOTQADSA-N 554.043 5.190 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224497588 YPUUFGUJFUODDP-NDEPHWFRSA-N 647.581 5.963 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3Cc3ccco3)cc2)cc1 224768604 BCGLYOXTEJIAFQ-VSGBNLITSA-N 553.669 6.761 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225035136 WWUNWUXFVOCGMF-NDEPHWFRSA-N 600.568 6.834 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(F)cc1 225599763 UUMGHFYBYAZZOL-UIOOFZCWSA-N 531.569 5.390 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408569707 XCPBFVVEUNZNFH-WQWSHVPRSA-N 532.811 5.748 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 408573045 SGLSEOXGHBIXTI-RUZDIDTESA-N 589.501 6.979 5 40 KKBB CC(C)[C@@H](C(=O)OCc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408656987 MQNSOQLHNQOXHI-PLKBCFBZSA-N 579.436 5.256 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 408771143 FOXFWWTZHUXTEG-FUFNRSNVSA-N 757.628 5.621 5 40 KKBB O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408848630 XNBWMLQNYWSTMH-IVQFASICSA-N 637.073 6.581 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)c(=O)n2[C@H]1c1ccccc1OC(C)C 408934947 DRVNPPCZADIMDW-ZMTYCLHQSA-N 722.614 5.844 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2=O)=N1 409033735 PGPUCEHVGWFRPN-FQKMCRJQSA-N 686.968 6.171 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409176785 XRVWBFQRDUHTAH-SANMLTNESA-N 559.512 6.343 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409183048 QNMNJVKFOYLMHU-AREMUKBSSA-N 546.513 5.117 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cccc(OC)c1 409189356 JXUJCGPTMFXCKS-PQRKSKNISA-N 717.229 5.798 5 40 KKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(C(=O)N(c2ccccc2)c2ccc3ccccc3c2)cc1 2022825 MLBXRXZOAWGADB-UHFFFAOYSA-N 513.509 6.527 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 2186316 NJIYOIZMWBAETB-HVDVVURSSA-N 546.692 6.228 5 40 KKBB CCOC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 3006784 JIIJAZLAJGXMHQ-XMMPIXPASA-N 554.983 5.261 5 40 KKBB O=C(Nc1cc(Oc2ccc(I)cc2)cc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1ccccc1 8427188 WRAKUKLHURBIBQ-UHFFFAOYSA-N 602.388 7.097 5 40 KKBB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)Nc1ccc(F)cc1[N+](=O)[O-] 12659983 CLPSRKQOEVIMHX-SSZFMOIBSA-N 501.470 5.548 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)cc1 32124689 NEVFXZSLSVHBDY-UCQKPKSFSA-N 519.604 6.038 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 97997791 CWHNNNYTTIYVHA-UHFFFAOYSA-N 638.809 7.845 5 40 KKBB O=C(COC(=O)c1cc2oc3ccccc3c3ccccc3oc2cc1C(=O)OCC(=O)c1ccccc1)c1ccccc1 98046256 ARTOHHUWDYTIRR-UHFFFAOYSA-N 584.580 7.536 5 40 KKBB CC(C)(C)c1ccc2[nH]c3c(cc(NCCN4CCN(c5ccccc5)CC4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 101756001 NMLWSXIGCIOTCX-UHFFFAOYSA-N 572.709 6.473 5 40 KKBB COc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 103780417 MWHIEKOEQBUSSR-ITNPZBTBSA-N 606.616 5.404 5 40 KKBB C[C@@H]1N(C)c2cc(NC(=O)c3ccc(F)cc3)c([P@](=O)(Nc3ccc([N+](=O)[O-])cc3)N3CCOCC3)cc2C1(C)C 110551591 XARKRFDPAWSMRI-UNTHPZAMSA-N 581.585 5.365 5 40 KKBB Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cccc1-c1nc2ccccc2s1 112230819 HTCDEUMYEGUZIM-UHFFFAOYSA-N 533.635 5.143 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(F)cc1 150394851 HJOJSFLMWVVUKY-OINPTKSXSA-N 625.634 5.252 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Cl)cc4)o3)cc2)cc1 224786041 QEISKDDGZXMSOJ-VMPREFPWSA-N 585.110 8.232 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225081433 GZTYBHKALVHOGD-HKBQPEDESA-N 650.798 5.672 5 40 KKBB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)N1c1ccccc1I 229886749 WCMTWYVEPIEPRK-CCDWMCETSA-N 623.428 5.979 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCC)c(OC)c2)cc1 408572447 RENWMFYWFRGEAQ-FQEVSTJZSA-N 537.436 5.254 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)cc1 408573964 UHNYPIGTDVJERM-RUZDIDTESA-N 525.030 6.317 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)O)o1 408633172 LZSUNARFXGFAMR-UUYOSTAYSA-N 539.953 6.104 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)cc2)cc1 408637869 BKZNXBRVALEYOX-UHFFFAOYSA-N 701.302 7.272 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)cc1 408823751 OSMCMDINSQOJAA-FQKMCRJQSA-N 623.609 5.826 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(I)c5)c(=O)n42)c2ccccc2CC3)c1 408846673 YGDZARPKGUAOBU-XDYZZPCYSA-N 853.476 7.024 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409031534 HEJNIGJOGVRUPP-OCDQFKQQSA-N 752.640 5.852 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409176646 UECIUYGJBSWDMK-UHFFFAOYSA-N 578.112 5.119 5 40 KKBB COc1ccc(C(=O)[C@H](OC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2)cc1 409177570 CDRUSCYKBLNGPC-HHHXNRCGSA-N 536.496 5.185 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409272852 HQCBGOINNCICMP-SSDVNMTOSA-N 580.487 5.131 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)N1CCCCC1 409380895 BRTCRIGHXQRLHK-NDENLUEZSA-N 639.322 5.748 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@@H](C(C)(C)C)C[C@H]3[C@H]2C1=O 5957606 KJUKQSBCDHJAIR-FBYZWUKVSA-N 501.583 5.918 5 40 KKBB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)c(C(=O)Nc4ccc(C)c([N+](=O)[O-])c4)sc3n2)cc1 6246330 PIXWISQJJYOXSR-UHFFFAOYSA-N 529.021 7.643 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 97952419 ITHYJZTURXOKBD-VJBGASIXSA-N 543.579 5.037 5 40 KKBB CCCc1ccc(C(=O)N2c3ccccc3[C@@H](N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)C[C@H]2C)cc1 100112668 OIAHKRFFTUUJSB-PDYDUYQGSA-N 559.666 7.774 5 40 KKBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])c1 100171793 YPWPULNVVHQFHN-ZSAJNUMDSA-N 616.673 7.092 5 40 KKBB Cc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 105308112 JNGOTRWMDTXKGV-UHFFFAOYSA-N 536.017 5.018 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 161987047 SAJGSUGYNSJJTM-UHFFFAOYSA-N 652.001 6.657 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)cc1 169358747 BIIYWHLOULXKJD-QFMXGDCESA-N 662.698 6.801 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223857197 GYSZYGSCGBXMPJ-BCHFMIIMSA-N 542.463 5.999 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 225067755 LKPMZKBVHKQULO-NDEPHWFRSA-N 647.581 5.367 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225639508 QUVCZMZQVUFVTR-XIFFEERXSA-N 658.777 5.355 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 229934693 WHEJTLXYTPCBRZ-PNZZQSNHSA-N 554.861 8.238 5 40 KKBB COc1ccc(C[C@@H]2C[N@+](C)(CCC(=O)OCCCCCOC(=O)CC[N@@+]3(C)CCc4cc(OC)c(OC)cc4[C@H]3Cc3ccc(OC)c(OC)c3)Cc3cc(OC)c(OC)cc32)cc1OC 252286796 KVURKGMRRKDFPC-LHXQQQLRSA-N 929.161 8.066 5 40 KKBB Cc1noc(/C=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c1[N+](=O)[O-] 408542397 JDFUVTMOZIMJRB-SREVYHEPSA-N 528.584 6.819 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408575644 WSKUWRWRYMLQBW-MMOZRLFVSA-N 617.294 5.367 5 40 KKBB Cc1ccc(NC(=O)COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2Br)cc1Cl 408610583 QIFLIKLFKDZAIY-UHFFFAOYSA-N 504.768 5.949 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408682196 JDNCFRCZDFWOTD-QYVZARNFSA-N 598.442 6.351 5 40 KKBB Cc1c(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409010466 FBZRFDLJWJDEOH-VUTHCHCSSA-N 595.681 5.291 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409091118 PKBJLEOQYADQQN-OOIQZMFUSA-N 510.977 6.289 5 40 KKBB COCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409139148 AJBZRZAGELYQRQ-LICLKQGHSA-N 527.780 5.272 5 40 KKBB O=C(COC(=O)c1cccc(I)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409180511 YVLYUXKOJUXCCR-UHFFFAOYSA-N 537.693 5.685 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O 409182211 JJZMZLPMHGUACH-AREMUKBSSA-N 608.912 6.849 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409196484 ZLJQLVPSGAATNW-LMBBUSAASA-N 757.338 7.693 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 409237505 IZRBFAKTQJMDIN-CVKSISIWSA-N 556.600 5.590 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1Cl 409263407 MPNLVCWAHHXKBY-MYKKPKGFSA-N 648.071 5.017 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)c1ccc(Cl)cc1 409269249 AEHSLUQHSCNBTO-SSDVNMTOSA-N 539.909 5.868 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)c1 409274348 WFXSVWKKXHCVOE-FSJBWODESA-N 571.533 6.698 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(COc5ccc(C(C)(C)C)cc5)n4-c4ccccc4)cc3s2)c([N+](=O)[O-])c1 409336258 NFHPFLURPJIEKX-UHFFFAOYSA-N 769.931 8.132 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1Br 409343512 DQVUBTAYVVOXMB-YBFXNURJSA-N 528.340 5.292 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409380418 MSLWIUIYPQECNR-HMAPJEAMSA-N 651.479 5.226 5 40 KKBB CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2308270 SBVUTCMVEYIILA-UHFFFAOYSA-N 504.432 6.189 5 40 KKBB O=[N+]([O-])c1ccc(SNc2ccc(Cc3ccc(NSc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 3182067 DTNAGXQJCSUKEX-UHFFFAOYSA-N 504.593 7.332 5 40 KKBB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 3411971 PTUOIMVMLNMKPV-MRXNPFEDSA-N 550.555 6.430 5 40 KKBB CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1 4212779 XQFBAGUGBNQLRT-ZZZJANDJSA-N 530.838 5.540 5 40 KKBB in-man O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 96022778 WMXYERPACINAMK-QDIZUQQVSA-N 518.476 6.218 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 100260284 SRQCJVOJIJYLDK-UUYOSTAYSA-N 543.370 6.312 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(NC(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2s1 103746006 WXMUVFQPGBYGMG-UHFFFAOYSA-N 616.171 7.238 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105317727 SLPVOSAEOGFFMC-UHFFFAOYSA-N 561.645 5.006 5 40 KKBB CC(C)C1=C[C@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@H]13 105368954 BHKWBTATPFLOTL-UFKBGXFVSA-N 520.626 5.610 5 40 KKBB O=Cc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1 150342497 ICUCVEDZZXQQMZ-UHFFFAOYSA-N 642.762 11.136 5 40 KKBB O=C(Nc1ccc(S[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1)/C(=C\c1ccc(-c2ccccc2)o1)NC(=O)c1ccccc1 150425937 QWGIYXBLCMVMOG-OFMYPBDUSA-N 694.769 8.737 5 40 KKBB COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)ccc1Br 150484793 IVZFXLPEQIKWJN-YVBHXKDBSA-N 701.555 6.200 5 40 KKBB O=c1/c(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163226068 CBTYJJKRKVOJLG-OIUASMPBSA-N 681.524 6.690 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccccc1Br 214995803 FHBHIIVGRDJIOL-UFFVCSGVSA-N 658.246 8.167 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 215047325 ZNPNAULGNPCNTE-SSDVNMTOSA-N 586.376 6.303 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223985227 GHAJETBHFRWTCH-JCVFDAPQSA-N 702.830 5.671 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCC(C)CC3)c(Cl)c2)o1 225001280 IZACLTMSFJYWEC-LOYHVIPDSA-N 604.132 7.325 5 40 KKBB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1NC(=O)C(C)(C)C 225116200 QQBIQWIUZRASLU-WUFINQPMSA-N 601.685 6.429 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225490404 GHTMJLFUSWVJQL-HHHXNRCGSA-N 537.657 5.524 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247337013 QZCMMIUCUBLAPD-UPOHCCNUSA-N 576.008 6.230 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260800477 PCMGVWPIAMJNBP-OAQYLSRUSA-N 726.079 6.934 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260866415 JCTVESBUVZXOFD-MGBGTMOVSA-N 676.767 5.411 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccc(Cl)cc1 408570699 LXBVICLWRJENMD-QHCPKHFHSA-N 515.422 6.572 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408686254 RFBZZTMKXCLYJV-UHFFFAOYSA-N 761.959 6.407 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408753015 GXAZZHXPDJMGSY-LXLSUMTHSA-N 788.882 7.986 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4c(OC(=O)c5ccc([N+](=O)[O-])cc5)ccc5ccccc45)c(=O)n31)c1ccccc1CC2 408757453 NLXKRKGADZFYMN-NSFGRKQPSA-N 665.727 6.608 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408974714 CGBYGHNRUQJTFG-RISWYLRJSA-N 594.045 5.019 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408992008 PWRSVBIVLIDMCZ-GSASKQFNSA-N 663.777 6.145 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1cccc(Br)c1 408994243 YLBVIKNTLLSZNE-NIQJEMAJSA-N 683.587 5.823 5 40 KKBB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 409039256 WUAFAFOEXLFOTL-IWIPYMOSSA-N 524.982 6.251 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409158932 YPZRVEGXCOPZAB-ZVHZXABRSA-N 626.485 6.318 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409161782 AYCSMNFJWFLQAI-AFUMVMLFSA-N 579.656 5.969 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409166973 GTMLAWWEXTXDCU-YDZHTSKRSA-N 598.431 5.620 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409173390 LWLOJXWOBCNNAT-WYMPLXKRSA-N 578.559 5.596 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 409176294 JSKBAJRUNKRCPU-AREMUKBSSA-N 551.467 5.085 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 409177927 DZLPYFNSYNRTEJ-UHFFFAOYSA-N 528.904 6.198 5 40 KKBB CCOc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1OCC 409188923 KQBJGSHLEJZWDP-LABNAMAPSA-N 686.309 6.881 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)c(Cl)c1 409204294 FJVHGWBVPJLDEH-ODLFYWEKSA-N 561.801 5.476 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409271671 LANKJYGNSZLISC-WYMPLXKRSA-N 549.517 5.010 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl 409351778 AUYQVPDTNXMSPR-NRFANRHFSA-N 545.065 5.416 5 40 KKBB COc1ccc(CCn2c(C)c(C(C)=O)c3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OC 972646 JDXXMEPRMFGENN-UHFFFAOYSA-N 502.523 5.540 5 40 KKBB CC(C)(c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 1838349 PCGFEZDUQGUYOM-UHFFFAOYSA-N 595.391 7.574 5 40 KKBB CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nnc2c(C)cc3cc(CC)ccc3n12 6135384 YSXWFXIVUUPQIW-UHFFFAOYSA-N 509.588 5.190 5 40 KKBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c2ccccc2)cc1Cl 12566880 AZUOVBZVLPIBGA-SANMLTNESA-N 522.001 6.330 5 40 KKBB O=C1OC(c2ccccc2)=N/C1=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccc(Br)cc1 32109534 BIERZDXCSZFLIE-RCCKNPSSSA-N 509.312 5.160 5 40 KKBB CC(C)c1ccc2oc(-c3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 59331823 RNVCZALSTKFLTP-UHFFFAOYSA-N 520.973 6.269 5 40 KKBB COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC 97979729 AMLPLOGRYUKLMU-PDGQHHTCSA-N 604.015 6.105 5 40 KKBB CC(C)(C)[C@@H]1C/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3c(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C1 97979916 BFUKFPHQBVPDRX-OKPNHQCWSA-N 618.517 8.394 5 40 KKBB O=C1Nc2ccc(Br)cc2/C1=C/c1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1Cl 101040428 MCQZEBFEROORCM-WJDWOHSUSA-N 523.730 5.203 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n31)c1ccccc1CC2 104655659 WKDJRGUTKKHTKG-KFOJKGMOSA-N 589.673 6.112 5 40 KKBB O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 104656019 XMIFRCKGZUGQEN-NULZLWRNSA-N 610.489 6.249 5 40 KKBB COc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1cccs1 105314847 KZAVBKNFQQYONO-UHFFFAOYSA-N 522.564 5.304 5 40 KKBB Cc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 106449133 VBXFKXNLMBGUHV-UHFFFAOYSA-N 532.969 5.677 5 40 KKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Br)cc1 106725124 ZJVGAMNGGUGNKN-XKZIYDEJSA-N 525.380 6.173 5 40 KKBB O=C(NC(=S)Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107645328 GINTXMYWBHDZIL-UHFFFAOYSA-N 500.561 6.258 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 163220026 UDZZXFOMMBKDSE-ITIZVALFSA-N 703.365 5.500 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163625598 MSJDKWIKKVZDKV-RWTNITNYSA-N 801.819 7.006 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 215050633 YGNSQPMPGHXFIX-YDZHTSKRSA-N 695.329 7.176 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223385615 PICLZVMNNAQWMS-FQEVSTJZSA-N 621.543 5.431 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223930490 LZWVDLNYQPYGGB-WNSROMTISA-N 741.694 6.969 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223953231 UYOAUCRLHICODP-SIBVEZHUSA-N 588.488 5.844 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224427759 JLYPJHOQQYKMLZ-LJAQVGFWSA-N 691.634 6.280 5 40 KKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1 224507054 VUAJIIRKHUROQR-DHIUTWEWSA-N 520.412 5.720 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 224759242 WCHNSMXHDLXXFP-IHLOFXLRSA-N 564.623 7.228 5 40 KKBB COC(=O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224792743 VXIYMZPVPUPUGL-LOYHVIPDSA-N 607.717 6.895 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225277216 ZPNHAUXKSJLHMF-XIFFEERXSA-N 707.249 6.317 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1NC(C)=O 225328841 NMKMFGJSWYSRSM-UIOOFZCWSA-N 529.578 5.394 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261005630 RDWYKXRTAONDRJ-MGBGTMOVSA-N 719.658 6.252 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1cccc(F)c1)[C@@H]1CCCN12 408563487 AMIPZIVFUINWHG-TUPPOGIXSA-N 552.400 5.222 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc2ccccc12 408565131 BHBORXRBDPUIMP-MHZLTWQESA-N 623.504 7.328 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408575036 VQNMKDHLYJGEJM-LPSCJGLESA-N 607.288 5.912 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408640748 IQOKSRUCMIJRCN-QFPYXQTFSA-N 632.456 5.987 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408682127 IXTCFASPLVJSCX-FZDFQQAASA-N 563.997 5.698 5 40 KKBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Cl)cc2Cl)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 408688055 VPGNGGWAVCJXPH-QFIPXVFZSA-N 506.363 5.508 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 408728601 PPYNIKKPGHEKNP-AGYDLCDTSA-N 584.220 5.013 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc2ccccc12 408868435 OJCUORQPQHLSQP-FUFNRSNVSA-N 600.052 5.773 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c2=O)=N1 409034148 GWQUDLQMIBOHCI-GVMLUORFSA-N 668.953 5.701 5 40 KKBB CCOc1ccc(NCc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 409112826 LVZURXWXHKHGQI-UHFFFAOYSA-N 534.350 5.798 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 409164541 KAFWVOVLOMVMIH-RGVLZGJSSA-N 513.915 5.192 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409166702 GCAVPVYLHAVMJQ-HXUWFJFHSA-N 567.455 5.077 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)c1ccccc1 409219552 NRJIAVVVMUSCEW-XKZIYDEJSA-N 510.980 6.319 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409221102 KYAGVZGJGBWELL-ZVHZXABRSA-N 568.007 5.901 5 40 KKBB COc1ccccc1CN(C)C(=O)CCC(=O)[C@H]1CC(C)(C)[C@@H]1CCc1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 643588048 UAEVUZPBASSPCI-LOSJGSFVSA-N 532.641 5.596 5 40 KKBB C[C@@H]1CCCN(CCCNc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1 8744449 VDQXLHDNELSSNI-HXUWFJFHSA-N 523.677 6.772 5 40 KKBB CCN(c1ccc(NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(C)C 13096874 GNKVMWAWWRNQJO-UHFFFAOYSA-N 503.546 7.252 5 40 KKBB Cc1ccc(N(CCN2C(=O)c3cccc4cccc(c34)C2=O)C(=O)COc2ccccc2[N+](=O)[O-])c(C)c1 21487087 SHMGVRNJGZMXSE-UHFFFAOYSA-N 523.545 5.073 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 100305276 BDEYEQBGBLWNON-JLKMOJGBSA-N 532.665 5.838 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101312181 QLVSTNCGMUSMBH-FJUJMQFGSA-N 547.592 5.638 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 102086057 KTJXKDYIUVLTIE-HSUWNSRMSA-N 598.995 5.638 5 40 KKBB Cc1ccc(-c2ccc(C(c3c(C)nn(-c4ccccc4)c3O)c3c(C)nn(-c4ccccc4)c3O)o2)c([N+](=O)[O-])c1 108423475 QTNHCRPQGDQSAP-UHFFFAOYSA-N 561.598 6.743 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1 111465375 LPSVDJHVFZFZFM-POKSHJSXSA-N 605.672 5.721 5 40 KKBB COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc([N+](=O)[O-])cc4)n3-c3ccc(F)cc3)[C@H](c3ccc(OC)cc3)C2)cc1 150410736 KFFHLQPYLCWLMU-HKBQPEDESA-N 695.733 5.732 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 163564785 MRBDPGYQYSPPJB-ZFWDJNJRSA-N 731.394 5.950 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224024688 PWRDEAWFNBFYKV-MHZLTWQESA-N 519.667 5.303 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 224715559 VGRSYZFRJSLROX-XZWHSSHBSA-N 547.640 7.058 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225448845 CIGRKDXBKIRCMU-XIFFEERXSA-N 741.694 6.970 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 225635710 PISARYVYZUXWTO-VSGBNLITSA-N 540.649 5.399 5 40 KKBB O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccc(Cl)cc3N21 229781622 PVQXMHMJFXHCEH-RBVMOCNTSA-N 578.806 5.283 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408566232 NJKRJMDAHKLERR-MOXRBOSHSA-N 554.430 5.636 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 408572473 RGEUCISVNCRMCG-RUZDIDTESA-N 543.020 6.456 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1 408577450 ZNMXAOCSGRWLIX-QHCPKHFHSA-N 547.439 7.019 5 40 KKBB CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 408643124 FOISESVTXRBDTF-XMMPIXPASA-N 578.621 6.492 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732525 WHAPXMGDHODFGJ-VTXOETNRSA-N 780.812 6.289 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 408836870 WLKGFUSULPKKSA-ORVZPOCUSA-N 727.431 6.119 5 40 KKBB Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccccc4OC(=O)c4sc5cc([N+](=O)[O-])ccc5c4Cl)C(=O)O3)sc2c1 408845144 OYRUWEYKGRMVPK-WOJGMQOQSA-N 609.468 8.203 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 408992007 PWRSVBIVLIDMCZ-GOQPZEPVSA-N 663.777 6.145 5 40 KKBB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 409042790 CSIUXUPUNRABGQ-BKUYFWCQSA-N 697.292 5.987 5 40 KKBB CCn1c2ccccc2c2cc(-n3c4nc5ccccc5nc4c4c(=O)n(CCCOC)c(C)nc43)ccc21 2445463 BGWDWUAIRFHJPC-UHFFFAOYSA-N 516.605 5.756 5 40 KKBB CC(C)CCOc1ccc(Cn2c3nc4ccccc4nc3c3cc(Br)cc(Br)c32)cc1 2690677 HJUMULDDHWMGHH-UHFFFAOYSA-N 553.298 7.736 5 40 KKBB O=[N+]([O-])c1ccc(Nc2ccc(Cc3ccc(Nc4ccc([N+](=O)[O-])c5nonc45)c(Cl)c3)cc2Cl)c2nonc12 4013421 DHDZTIUYGYSXBI-UHFFFAOYSA-N 593.343 6.960 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1[N+](=O)[O-] 4089591 ATMKVOAJQLWOHE-UHFFFAOYSA-N 541.383 5.691 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(CNc2cccc(C(F)(F)F)c2)n1-c1ccccc1 6280804 MEMVXPSLKAFHQK-KRWDZBQOSA-N 556.570 6.234 5 40 KKBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cccc(C(F)(F)F)c2)NC(=S)N1c1ccccc1 12546735 YCFLSZFDRPDDRL-QFIPXVFZSA-N 512.513 5.962 5 40 KKBB aggregator Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c([N+](=O)[O-])c1 12600543 MTLCYXWQRASVOA-AREMUKBSSA-N 520.545 5.079 5 40 KKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)Nc4ccc(C(C)C)cc4)cc3c3ccnc2c31 70708292 DVSRLCIFJGFHNW-SFHVURJKSA-N 535.600 6.139 5 40 KKBB biogenic CCCCOc1ccc(C(=O)/N=c2\c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2C2CCCCC2)cc1 97965321 OJTGEJUQKVIYIH-PJJLUWSFSA-N 542.636 5.251 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)NC(=O)N(Cc2ccccc2)[C@@]1(O)C(F)(F)F 97984697 MVACBLJAGZFVNS-YDHSSHFGSA-N 571.480 5.274 5 40 KKBB CCCn1nc2ccccc2c1[P@](=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)(Oc1cccc2cccnc12)C(C)(C)C 97984993 WJNMQAJBHAWIHO-FAIXQHPJSA-N 591.630 6.911 5 40 KKBB CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 102761298 AOALKDZKDYFDQM-XPWALMASSA-N 512.349 5.515 5 40 KKBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1 104911579 WRKBIPGOVUSPIJ-UHFFFAOYSA-N 556.875 5.288 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306274 RXZQYJVEIKSQTN-UHFFFAOYSA-N 554.053 5.488 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)c1 150393258 XBHUIQGIMGPNDR-USDTVRPUSA-N 627.078 5.704 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 150670566 AJPAWSLQFZNEDZ-KXANFNGZSA-N 705.981 8.744 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n31)c1ccccc1CC2 163205908 BSUBYYMAAUHHMF-KFOJKGMOSA-N 853.476 7.024 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223109245 QSSGYRBUODAEJQ-HKBQPEDESA-N 679.195 5.537 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224927182 ZBDHIBSBASNONT-HXUWFJFHSA-N 651.569 5.357 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225037817 JMQBYDSVWGLGOE-VWLOTQADSA-N 528.436 5.609 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 248337417 PWVRXKYEONVPMP-AOFBEVEVSA-N 590.035 6.494 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 408564799 AHJDPKIOMTYRDL-VWLOTQADSA-N 617.953 7.306 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)cc1 408568154 HUHQJORCEXVKOA-DEOSSOPVSA-N 511.003 5.927 5 40 KKBB Cc1ccc(COc2ccc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3cccc(C)c3)cc2Br)cc1 408571382 OOKCDDZBKJDIMO-VWLOTQADSA-N 553.482 6.644 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 408577543 ZRZRJWVIHQGGBA-XMMPIXPASA-N 603.926 6.998 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(F)cc1 408577785 ZWKFLRKRHUMUHC-HSZRJFAPSA-N 533.412 6.711 5 40 KKBB CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408604905 FTBSIPXREVJAML-UHFFFAOYSA-N 535.733 8.377 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)cc1 408645752 IBXVUJMFBUYOGR-WVXDQTCGSA-N 727.751 5.803 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]23)cc1 408731360 KADUWVWGFRKWSO-GDZXGLFHSA-N 560.562 5.587 5 40 KKBB Cc1ccc(C2=N/C(=C/c3ccccc3OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)C(=O)O2)cc1 408839075 MPIVCKWICJVHKM-XDHOZWIPSA-N 518.934 6.335 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4cc(C)c(C)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 408917943 CZNVSMZJZDAIKF-YMMTXDPESA-N 658.754 8.017 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1cccc(Br)c1 408994242 YLBVIKNTLLSZNE-DNQIBQKISA-N 683.587 5.823 5 40 KKBB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409119779 QIBXQHHRKUCTKD-UUYOSTAYSA-N 584.410 6.330 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409176768 XBMOUZQAMZMWDT-SANMLTNESA-N 546.513 5.117 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2Cl)nc2ccccc12 409184921 YVCGPAOTJMLIEZ-GDLZYMKVSA-N 522.944 7.244 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409188346 GXLYCFUZVBHWLJ-PLMBTIQCSA-N 775.099 7.679 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409223783 HROCGXKBFSFRHI-ZMOGYAJESA-N 723.339 6.859 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409226177 SPXPYEWDAHGAIJ-XKZIYDEJSA-N 505.508 5.100 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409249186 MUBGWJFETZBEHX-BHGWPJFGSA-N 630.448 6.149 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409274943 RJSGLWWXNMHGNL-FSJBWODESA-N 578.559 5.596 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)cc2[N+](=O)[O-])cc1 409344667 GGLVGVKGWFCANZ-XKZIYDEJSA-N 584.473 6.492 5 40 KKBB CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2084798 IBGFWTOIUTYXFS-XKZIYDEJSA-N 537.366 5.988 5 40 KKBB CCCCN(CCCC)CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O 2094761 COAOCXQICIJTEL-FIBWVYCGSA-N 545.684 5.053 5 40 KKBB biogenic O=C(COc1ccccc1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12)Nc1cccc(C(F)(F)F)c1 3354967 UAZNXUFKYAMXFQ-UHFFFAOYSA-N 547.485 6.340 5 40 KKBB COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)c([N+](=O)[O-])c1 6280139 AAIZBRBASLNAQX-UHFFFAOYSA-N 509.975 5.544 5 40 KKBB Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc4ccccc4nc3NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 97983619 ABFWNTQJBKDUJV-UHFFFAOYSA-N 590.643 5.192 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@H]2[C@@H]1c1ccc(Br)cc1 97983851 ZOESZJOOIKSZAE-ZHPYGUFWSA-N 680.397 7.393 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1)c1ccc([N+](=O)[O-])cc1Cl 100360237 FFPIRLRMRJGHEC-UHFFFAOYSA-N 598.578 6.676 5 40 KKBB O=Cc1cc(Br)ccc1OC(=O)c1ccc(Oc2ccc(Br)cc2C=O)c([N+](=O)[O-])c1 101088221 BJKORWDDSJJNDA-UHFFFAOYSA-N 549.127 5.756 5 40 KKBB COc1ccc(/C=C2\N=C(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 102988580 PWZAXWZSSKRCOU-YOBACFSGSA-N 597.049 5.778 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 103533401 ZYXGEGNZIYMEEU-FVYOSNSJSA-N 555.590 5.885 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 103533617 PQCZGDMCCXFVTA-CJRSTVEYSA-N 534.355 5.300 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1cc(OCC)c(OCC)c(OCC)c1 103629741 DBVDURLYQYVGOQ-FTTXPQLCSA-N 624.694 5.006 5 40 KKBB Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)CC2)cc1 104011460 HKDBHDTYEQXTPK-UHFFFAOYSA-N 559.022 6.340 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6cccc([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1 104656828 SHDYPYGHLUANKK-PYCBVSLESA-N 561.619 5.496 5 40 KKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 105313107 NWFINGYFOPHSMP-FNORWQNLSA-N 545.429 6.812 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)c(C)c1 105313186 XSEOZPNTCYABAV-UHFFFAOYSA-N 529.622 6.137 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(COc4ccc(C)c(C)c4)n3-c3ccccc3)cc2s1 164035854 NKKOWRCKTGQVRS-UHFFFAOYSA-N 698.852 8.013 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222614944 RAUCCMRQNBKDNW-WJOKGBTCSA-N 709.619 5.256 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 224033200 LOMFAHMBGCAYQA-LOSJGSFVSA-N 516.535 5.164 5 40 KKBB COc1cc(CNc2ccc(Br)cc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408608474 LSUGDWWUTJBALW-UHFFFAOYSA-N 511.294 7.098 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408666572 VDMCBQXZHLNRBF-ILBOUBIXSA-N 612.469 5.738 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)cc1 408823283 DRDZLINCTDVBRR-IYVASWNSSA-N 821.431 5.803 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 408845570 YEVOUIXZDSPLJY-FQWZWQHVSA-N 613.598 5.382 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 409061416 ZOZRKMCBSHMHFH-UUYOSTAYSA-N 646.903 5.746 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 409108877 ZCIDNAJUUIADCE-SAGCDJCOSA-N 654.192 5.977 5 40 KKBB CCOc1cc(CNc2ccccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409109939 OFWNLFHQCBKFSD-UHFFFAOYSA-N 518.351 6.098 5 40 KKBB CC(C)c1cc(I)ccc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409163350 QFOVVGIENNCAIV-OAQYLSRUSA-N 622.489 5.299 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3cccc(Cl)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409349684 RCXOQXOMZWUKSW-UQDCTOEPSA-N 604.084 5.247 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 1885185 WSGLHCKEQPBWEB-NBJHOTSESA-N 576.008 6.104 5 40 KKBB COc1cc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)c(OC)c2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 2747196 GWTRFUFKRZNRHO-UHFFFAOYSA-N 542.504 5.692 5 40 KKBB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1 3368003 HVFHHQYGBXYBJX-IBGZPJMESA-N 523.945 7.349 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)c1ccccc1C(c1ccccc1)=NN2c1ccccc1 9045458 UYLMYQFDWWXYKM-LJAQVGFWSA-N 519.586 6.134 5 40 KKBB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13096524 YLRZNXSJPJOQCD-UHFFFAOYSA-N 521.605 6.683 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12 33353214 GIXNUKVMKOBVQU-UHFFFAOYSA-N 540.373 7.617 5 40 KKBB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccc(Cl)cc2)c(C)c1 33634473 CMNKAEUSURTADD-UHFFFAOYSA-N 516.019 5.311 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@@H]3c2ccc(OCC)cc2)cc1 97971208 ZELOBQMLMCXUFI-JERPQPCYSA-N 610.711 6.666 5 40 KKBB Cc1ccc(S(=O)(=O)n2cc3c4c(cc([N+](=O)[O-])cc42)Oc2c(I)cc(I)cc2C3)cc1 98008269 HKQMPSROTNDEDE-UHFFFAOYSA-N 672.238 6.001 5 40 KKBB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 98023176 IEYVMQFMLMJZDS-UHFFFAOYSA-N 553.659 6.598 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1)c1cc([N+](=O)[O-])ccc1Cl 100357970 FDYATNYHGYGVJP-UHFFFAOYSA-N 598.578 6.676 5 40 KKBB CC[C@H](Sc1nc2cc(OC)c(OC)cc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)C(=O)Nc1cccc(OC)c1 101307963 DXHGEXUUUULZCW-DEOSSOPVSA-N 574.619 5.388 5 40 KKBB COc1ccc(CSc2nnc3c4c5c(sc4n4c(SCc6ccc(OC)cc6)nnc4n23)C[C@H](C(C)(C)C)CC5)cc1 102430304 YJMYVPVZNUVJQI-OAQYLSRUSA-N 630.865 7.740 5 40 KKBB Cc1cc(C)c(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5ccc([N+](=O)[O-])cc5s4)cc3s2)c(C)c1 103770931 WTLVGFHXMDRUTE-UHFFFAOYSA-N 609.780 7.201 5 40 KKBB Cc1cc(C(=O)Nc2c(Br)cc(Br)cc2-c2nc3ccccc3s2)ccc1[N+](=O)[O-] 105319218 GHLYKEMKNHLYAP-UHFFFAOYSA-N 547.228 6.957 5 40 KKBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 106737771 CZDVFPBPXMMINX-SCDVKCJHSA-N 511.899 5.401 5 40 KKBB O=[N+]([O-])c1cc2c(cc1I)[C@H]1[C@@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150389180 LWWGOSNUXCTQNH-YCYQBQBNSA-N 844.613 10.304 5 40 KKBB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 150479644 OHAFTIWTFWEBAK-OMCJGKRZSA-N 650.113 6.133 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 197826108 MTRKMBMXBLMWFW-UHFFFAOYSA-N 634.614 5.248 5 40 KKBB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223539199 GTNNLAMONIEOGG-HSZRJFAPSA-N 645.178 5.137 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223893546 GPBZNPHQCCPITC-FQEVSTJZSA-N 526.417 5.013 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260998305 PCJUYALBQMGOBY-UUWRZZSWSA-N 788.150 7.766 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 408568695 IJCSBGZUWPGBIN-XMMPIXPASA-N 529.449 6.880 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C/c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 408631800 LQAUVPKYGODXIR-CIAFOILYSA-N 541.010 6.411 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)C(=O)O)o1 408634945 YEUOFWMYXLLFFO-JAIQZWGSSA-N 513.915 6.093 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408643186 PCIRFCHCANPJOY-ZBWOKKAISA-N 720.991 6.588 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc2ccccc12 408879744 CWUFHMZJKOUKGK-USDTVRPUSA-N 595.633 5.128 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409047355 MJPWJUDEVHRSPO-PGNBASISSA-N 766.225 5.288 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409071151 FFHANPNDXAAXCB-WOJGMQOQSA-N 554.362 5.233 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(N2CCOCC2)cc1 409143704 GUMPCFBNCLOHGE-OEAKJJBVSA-N 568.995 5.020 5 40 KKBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409181559 CODUBCWPEBALIN-UHFFFAOYSA-N 562.512 5.168 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)C1=O)Nc1ccc(I)cc1 409261147 ANEKYTRPPWLJLU-CFRMEGHHSA-N 638.443 5.877 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409267156 SZHSXPLMDIAQGM-ZVHZXABRSA-N 689.484 5.861 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21)c1ccc([N+](=O)[O-])cc1 8426146 MQLLPVIAZSUWJJ-GDNVMHJUSA-N 637.442 5.538 5 40 KKBB COc1ccccc1NC(=O)CSc1nnc2c3sc4nc(CC(C)C)c5c(c4c3ncn12)CCC5 9076615 ZGCPLFQEVNYZTK-UHFFFAOYSA-N 518.668 5.314 5 40 KKBB COc1ccccc1N(C(=O)c1ccc(S(C)(=O)=O)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 13062965 VAGFXEUDIZLTJU-UHFFFAOYSA-N 509.565 5.109 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 96400861 WTCSQFIIUQPWLP-BKIZBIRHSA-N 507.924 6.963 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Br)cc1 97951131 CEJLJSOTADIDOH-OAQYLSRUSA-N 529.188 6.111 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105313438 YCPDQYUMUQXASL-UHFFFAOYSA-N 563.639 6.797 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105320360 GPFYYBKWQATAIQ-UHFFFAOYSA-N 554.344 5.860 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 105354815 LLWPTWCERMUPPE-FMIVXFBMSA-N 546.967 5.716 5 40 KKBB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl 105355028 KDGBLGSDHHSPQX-UHFFFAOYSA-N 535.004 5.788 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1cccc2ccccc12 105970819 GOBUAYNRUDCHNM-YUMHPJSZSA-N 619.493 7.725 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222707270 OGGFZWAYKQMBAR-OAQYLSRUSA-N 512.459 5.467 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223924096 OZFLBBUZFRICBC-SANMLTNESA-N 714.068 6.791 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224135320 KXHMDUAIIIFBAE-HHHXNRCGSA-N 657.189 5.627 5 40 KKBB O=C(O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224783672 LVWNRFIJVSJIIR-WDYNHAJCSA-N 593.690 6.807 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 225560375 VNAASQGGKOOBAE-WDYNHAJCSA-N 571.659 5.822 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247297542 CZIWASWPOFICDG-UPOHCCNUSA-N 576.008 6.230 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408563301 AEQLRBGFNFJSML-GQEWQHDVSA-N 592.490 5.790 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)cc1 408571363 ONAWAVRFYWYRLD-DEOSSOPVSA-N 511.003 5.927 5 40 KKBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 408658060 URFYELOAECOJEN-PYCXMFPASA-N 636.444 5.558 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408755152 PWEOKRPDVPUOHY-KMCFWPMWSA-N 678.679 5.553 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408827573 KTLLQEBKNRKPSW-QCHPHUCNSA-N 617.989 5.471 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408865846 DYTKOOFHTOMMKZ-QRVIBDJDSA-N 630.448 6.149 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1cccc(C(F)(F)F)c1 408869739 TYKAMKKTHIDQBK-JJFYIABZSA-N 636.402 6.630 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408928533 BIEFKKSWTMBFRL-SRZZPIQSSA-N 617.250 5.800 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408934967 DWBZVQHNTDPOOA-FUFNRSNVSA-N 587.654 5.062 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408992066 QHXOUXAXHIIIND-DNQIBQKISA-N 639.136 5.714 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409086497 VTXVIDVPSHFCKA-SELCLYCASA-N 701.599 5.789 5 40 KKBB CC(C)COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409113444 AVUZWNYJIKUGGR-WJOKGBTCSA-N 521.617 6.991 5 40 KKBB O=C(O[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409177016 ASVLANKCTYJOOE-AREMUKBSSA-N 535.961 5.862 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3OCc3ccccc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409181091 VZGRIHKFGKUIPY-LXYLXTGBSA-N 727.431 6.119 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(F)c(F)c1F 409272225 MOPIVOWAOXWPBW-JJFYIABZSA-N 566.517 5.690 5 40 KKBB O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnc(N2CCC(Cc3ccccc3)CC2)nc1COc1ccc(Cl)cc1 585265728 RNAOYMBMFPCROR-UHFFFAOYSA-N 622.103 5.195 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 1787096 YALSAMYVVLKJRV-NHCUHLMSSA-N 575.906 7.289 5 40 KKBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(C(OC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(F)(F)F)cc1 3196650 AMLYRBYLMUIUCH-UHFFFAOYSA-N 576.833 6.443 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 8427228 LBKBLDUHLZGLAD-JLNIMSJUSA-N 602.646 6.784 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 36006879 UNVCFEQCMWMNQQ-PUHABZHSSA-N 515.525 5.146 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 97971277 CSEVLRDDKRAYBV-MCIGQYRZSA-N 612.599 5.685 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(Br)cc1 100264034 HZGLEXWOXFTISL-XQNWCSQWSA-N 583.507 5.867 5 40 KKBB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5c(Cl)cccc5[N+](=O)[O-])cc4)cc3)C(=O)[C@H]21 100391059 IBBQLBXXABFNKA-RKLBZIAJSA-N 558.974 6.099 5 40 KKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105311343 AKUHZSJNMFUAMN-UHFFFAOYSA-N 533.635 5.607 5 40 KKBB CC(C)CCC[C@@H](C)CCCCCCC[C@H](C)CC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)CC(=O)C[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 150343596 MCQUNSGKFVLGIP-KFKBEBLLSA-O 831.278 13.629 5 40 KKBB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1 150427887 YNYDXFJTLCCGGC-UHFFFAOYSA-N 631.430 7.455 5 40 KKBB O=C(COc1ccccc1)NCc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(F)cc2)n1-c1ccc([N+](=O)[O-])cc1 150447572 HGCAMEUNSVUWFY-HHHXNRCGSA-N 671.736 5.541 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 150449906 WHUILLXMHGBPRO-VJGNERBWSA-N 650.463 5.176 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 150465133 MKVHHSUBMUBCJP-NKVSQWTQSA-N 673.166 8.242 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1 163566967 IGFFAHZZTXYRLH-JLKMOJGBSA-N 637.645 5.218 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214702995 PLTRSGQHBDAXIA-FOKLQQMPSA-N 590.397 7.237 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 222706146 RJNGHAFFTNQBKZ-SANMLTNESA-N 554.043 5.048 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222890617 BPQFTIYSDGOVRN-XIFFEERXSA-N 776.139 7.480 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225040964 NIBQDPBIZRIYII-SSEXGKCCSA-N 606.745 5.355 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225227567 QDZYLVYBNSEIMS-NHCUHLMSSA-N 649.141 5.232 5 40 KKBB C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(/C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H]3C 255203139 CQIKWXUXPNUNDV-ZQYGDCOKSA-N 871.220 13.964 5 40 KKBB CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408559431 ZSMYQEHXXQQLBR-XMMPIXPASA-N 563.857 6.767 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408563864 BFRQKFBLGRCHLM-GJECAEJISA-N 617.294 5.321 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 408573414 SSAYHDKNDKMWDW-DEOSSOPVSA-N 577.465 7.109 5 40 KKBB COc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408603945 CGAWXRKGJGWGAL-UHFFFAOYSA-N 542.732 6.192 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cn(S(=O)(=O)c6cccc([N+](=O)[O-])c6)c6ccccc56)c(=O)n42)c2ccccc2CC3)cc1OC 408770033 RYKZVFPCJDRINH-KXBQFYOSSA-N 704.786 5.436 5 40 KKBB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408775952 KUXCWVUWWBVQEL-KLKBWYFJSA-N 584.492 6.497 5 40 KKBB O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408842814 LAABGRREYMCWBY-IVQFASICSA-N 620.618 6.067 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 408995720 MZBDSEMNNDGUFA-MDINZUHSSA-N 691.762 5.830 5 40 KKBB COc1ccccc1N1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409054229 IGKZPPIJTKWQEE-XKZIYDEJSA-N 618.405 6.037 5 40 KKBB COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409106349 LLKSMTZBNPSPSC-LSCVHKIXSA-N 549.299 6.456 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409107618 WZBQMKYDIMXQGF-BSTSVQRWSA-N 692.794 5.761 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 409177849 IDTWOJAJHUSIAZ-AREMUKBSSA-N 514.515 6.435 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccccc1Br 409328415 UUZIKVOSVHWTQF-SRZZPIQSSA-N 622.375 6.843 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 409367123 FYOZIOXEKSVTOB-UHFFFAOYSA-N 552.834 5.149 5 40 KKBB C[C@@H](c1nnc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1-c1ccc(F)cc1)N1CCCCC1 2660274 FZQLQUBOKORELR-HNNXBMFYSA-N 519.002 5.246 5 40 KKBB COc1ccc(Br)cc1[C@@H]1c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2N=C2C(O)=Nc3ccccc3N21 3309745 BNFMUDHHZJHYBX-HSZRJFAPSA-N 559.380 6.101 5 40 KKBB COCCOC(=O)c1c(C)n(CCCNc2ccc(Cl)cc2[N+](=O)[O-])c2c1cc(O)c1ccccc12 8783317 XYTNHDBBAJXMSE-UHFFFAOYSA-N 511.962 5.676 5 40 KKBB biogenic,in-vitro O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(c1Br)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 33358559 WXELPYPMLCMPQP-IEBWSBKVSA-N 626.386 7.459 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1 59600355 DHTZXMHOANMKHY-YNMQQHPQSA-N 522.601 5.244 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 97971212 ZXSCXSAJACHKSR-GDYHXJAUSA-N 612.599 5.685 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 100171491 LBKBLDUHLZGLAD-PZZXBQDJSA-N 602.646 6.784 5 40 KKBB COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])c(N4CCOCC4)c([N+](=O)[O-])c2)[C@H]3c2ccc(OC)cc2)cc1 104048118 OZJVAOCOQMONBF-XYEPWOAKSA-N 627.654 5.794 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 105313868 QKGOORVFHPUIMS-UHFFFAOYSA-N 569.647 5.870 5 40 KKBB O=c1/c(=C/c2cc(Br)cc(Br)c2O)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 150406583 FVOIVUSQAHKSCE-IZBTWGKQSA-N 639.325 5.458 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223548676 NDOVHZLZYYGXPA-VWLOTQADSA-N 570.509 5.367 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223875436 RQFLGQRSUAHFRP-CCLHPLFOSA-N 635.570 5.222 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224305868 ABFMHABYLAEEIG-YTTGMZPUSA-N 741.694 6.969 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)o1 224319022 IDHJWRYWJNVIBY-FTJBHMTQSA-N 500.580 6.052 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224878499 ZAVWUGJJLVGHJA-KRWDZBQOSA-N 538.497 6.001 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260991322 PZOVDFYASXABTO-KCWPFWIISA-N 659.205 5.791 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)cc1 408564774 ABYRYRXUWABGSW-XMMPIXPASA-N 555.454 6.036 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408566406 NUBKWSFACZTSNB-HGMMTPDKSA-N 532.811 5.748 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c1 408568084 HPCYUNOODCMNJZ-XMMPIXPASA-N 573.900 6.989 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1F 408568194 HWCBVYOHASECDU-QHCPKHFHSA-N 591.434 6.314 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(F)c1 408569581 JRINZIGQPQNQFM-HSZRJFAPSA-N 607.889 6.828 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408762044 CGRRUIGFNQLKQG-FPWMYLJGSA-N 929.527 6.649 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408771424 HZNBAOSJVBXZNE-SUAMDDGLSA-N 853.498 6.217 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 408823349 FANRRHUXDFNHRY-HJUDQDPUSA-N 737.843 7.008 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(OC)c(OCc6ccccc6)cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)c1 408840523 CFEBXFZVSFGIDY-HAWPWTPLSA-N 631.710 5.823 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)C(=O)[C@H]23)cc1 408998007 PUNFHXJTEKRDDV-HHFQULNPSA-N 706.798 9.068 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c2=O)=N1 409036628 LZCQJGWWIDQZFE-BIWBSIMWSA-N 634.508 5.048 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@H]32)c2ccc(OC)cc2)cc1 409047644 PDBJUWYNWWIZBM-TUJIQRHUSA-N 542.975 5.689 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409091167 PXJVCDBNQVPMJI-INJWXVQMSA-N 698.548 5.145 5 40 KKBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1C 409126436 OYHTZYVYVXEDNF-VWLOTQADSA-N 556.733 5.437 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409144319 JIUMONGTIFNBAS-GSTVVXAASA-N 676.824 6.464 5 40 KKBB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409176733 WDFLKPADHGDOOU-PMERELPUSA-N 533.540 6.237 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409274277 OIBZRQWKWKSPDQ-GJKZIJEQSA-N 616.784 5.846 5 40 KKBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 409323930 QEAGTMBSTGRXQV-DAXSKMNVSA-N 553.163 5.079 5 40 KKBB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 409361717 QUUVMRWQNFDZFC-IBGZPJMESA-N 551.456 5.278 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1ccccc1F 2080377 SLNVEJUTKCLXDX-FOKLQQMPSA-N 573.396 6.321 5 40 KKBB COc1ccc(CSc2nnc3c4c5c(sc4n4c(SCc6ccc(OC)cc6)nnc4n23)CCCC5)cc1 2586832 DELWNAPBTWFRPF-UHFFFAOYSA-N 574.757 6.467 5 40 KKBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1ccccc1I 2741377 UHZHBKNINRAAHG-UHFFFAOYSA-N 557.373 5.178 5 40 KKBB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 9062483 VPCSRUBMPVCCQE-UHFFFAOYSA-N 509.931 5.280 5 40 KKBB CCOC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)c1ccccc1C(CC)=NN2c1ccccc1 9075343 LVCGDTNAKZQUFN-AREMUKBSSA-N 501.568 5.469 5 40 KKBB O=[N+]([O-])c1ccn(Cn2nc(-c3cccc(Br)c3)cc2-c2cccc(Br)c2)n1 13960802 YFQLPUYIYHEYLJ-UHFFFAOYSA-N 503.154 5.353 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1 16195708 MGKVQVPEXJMCKW-UHFFFAOYSA-N 520.811 5.800 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3)nc2c1 21596063 MMZSHPFLQNMOAA-AWEZNQCLSA-N 505.983 8.037 5 40 KKBB COCCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 33749912 GRJFAINEHRGPED-FVJKZCHWSA-N 514.619 5.023 5 40 KKBB CCOc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OCC)cc2)cc1 97983547 DMGUHELCQUBQIA-VOUPQCIBSA-N 551.643 7.229 5 40 KKBB CC(/C=C1/N=C(c2cccc([N+](=O)[O-])c2)C(=O)O1)=C\c1ccc(/C=C(C)/C=C2/N=C(c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 100024006 XGYADJVWFSGBBQ-WJADCOPLSA-N 590.548 6.085 5 40 KKBB O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 100360860 MCZMPWBKMHMIPA-UHFFFAOYSA-N 602.072 5.125 5 40 KKBB Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 100396180 MBYORINFZCMYBY-DQEYMECFSA-N 577.593 5.838 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)c1ccccc1C(c1ccc(C(C)C)cc1)=NN2c1ccccc1 102402072 ZRPOUYMHYFIOPZ-YTTGMZPUSA-N 561.667 7.257 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 102556685 PWBZMRUOQXZBRM-GVAUOCQISA-N 582.407 5.206 5 40 KKBB CC(C)c1cccc(C(C)C)c1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 103091117 SFPFPRPUECEQFG-UHFFFAOYSA-N 564.491 6.982 5 40 KKBB O=C(CCC(=O)c1ccc(Cl)cc1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 103110243 MTRFESYFOUPSRV-HSZRJFAPSA-N 545.773 5.897 5 40 KKBB CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105307891 SRVLIVVJBFWCFM-UHFFFAOYSA-N 529.622 6.001 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1 105355034 ZCVOPFTWSBSQQJ-GXDHUFHOSA-N 527.964 8.092 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc(I)cc1 106737083 OSENVNQANRWEFL-CFRMEGHHSA-N 595.418 6.439 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 111469668 WNCUXJKIVLFQPY-FABFSAKGSA-N 623.662 5.860 5 40 KKBB COc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1 138246145 BAIGDXDXECRXKU-MHZLTWQESA-N 509.562 5.102 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C1CC1)C(c1ccccc1F)=N2 150430367 FRDNQWCQWZZAKY-QLKFWGTOSA-N 664.476 6.867 5 40 KKBB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)ccc1NC(=O)C(C)(C)C 225116166 QQBIQWIUZRASLU-IZLXSDGUSA-N 601.685 6.429 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260885100 DXHGNCBOBCBGBI-DIPNUNPCSA-N 728.868 6.205 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccccc1)[C@@H]1CCCN12 408565164 IINLWSMIEMKOHG-TUPPOGIXSA-N 534.410 5.083 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)cc1 408570711 LYSYMONXPVMZCI-XMMPIXPASA-N 511.003 5.927 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1ccccc1 408573068 SIGUYYUCKBQMEU-QHCPKHFHSA-N 559.873 6.681 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccccc1Cl 408573939 UEPHMZNQUTVNIG-AREMUKBSSA-N 555.056 6.326 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 408577398 ZFPZMLFPUMHURW-HSZRJFAPSA-N 594.318 7.334 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408641631 KSQDUEGGPJZQHS-QFPYXQTFSA-N 598.011 5.334 5 40 KKBB O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408647205 BHVSQRLDWALTDL-ZOMWRJOCSA-N 661.925 6.496 5 40 KKBB Cc1c(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408804680 GMXTYUCJWAHBFD-DZYCKFBSSA-N 565.719 7.960 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408825644 BHCVUZAYXXVNKF-QJWUKVPRSA-N 791.813 7.551 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408842595 OVCMGXOUJFEDCS-LMSRTUJASA-N 586.626 5.243 5 40 KKBB O=c1/c(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408846040 XHBTZPFCQZPDBJ-KOHOJCOXSA-N 695.551 6.477 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 408916898 IDXQDRXTUZQTMO-ZVHZXABRSA-N 539.009 6.771 5 40 KKBB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408935710 NIDHZZSKFCKRDK-JJFYIABZSA-N 586.826 6.081 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409017221 XXGRGPJCOWCNMS-MQMKENTISA-N 582.416 6.012 5 40 KKBB COc1ccccc1N1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 409053772 HSBHPTKBXQTSEN-MTJSOVHGSA-N 714.275 6.633 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccccc1OC 409096108 FKDQOJSNSCVWSE-ZWTBYVTRSA-N 641.533 5.587 5 40 KKBB O=C1S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1CC1CCCCC1 409123092 DROUBKHKXAHERA-CIAFOILYSA-N 704.324 7.000 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409184423 XZENOLPOQPFVRC-UFFVCSGVSA-N 554.968 5.428 5 40 KKBB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(-c3ccc([N+](=O)[O-])cc3)c2)cc1 2260754 ZUGZDPNCDSQZBI-UHFFFAOYSA-N 511.563 6.058 5 40 KKBB Cc1ccc(C(=O)N2c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3[C@@](C)(c3ccc([N+](=O)[O-])cc3)CC2(C)C)cc1 4182175 VUDNEBVJJALWRL-USYZEHPZSA-N 656.826 10.421 5 40 KKBB O=c1c2ccccc2c(=O)c2c1c(NCCCN1CCN(c3ccccc3)CC1)cc1oc3ccccc3[nH]c12 101028046 ITDCVEZJJBMOIR-UHFFFAOYSA-N 530.628 5.565 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)cc1)N1C(=N2)C(Nc2ccc(Cl)c([N+](=O)[O-])c2)=Nc2ccccc21 102872219 LBYOKNOJMLZRKX-NDEPHWFRSA-N 578.007 7.677 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150395624 LPDPZDJRWMOVFX-KMCFWPMWSA-N 651.697 5.429 5 40 KKBB Cc1nc(Nc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)o2)sc1C(=O)CC(=O)Cc1nc2ccc(Cl)cc2nc1O 150434838 PSDDZSHNCLRJTG-UHFFFAOYSA-N 624.979 5.057 5 40 KKBB CN(C)CCCSc1c2ccccc2nc2cc(NCC(=O)Nc3ccccc3-c3ccccc3NC(=O)CNc3ccc4c(SCCCN(C)C)c5ccccc5nc4c3)ccc12 150436631 DMDGSCDWIMXWOK-UHFFFAOYSA-N 887.192 10.945 5 40 KKBB O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163240278 NETCBMOUNNPDFR-SOJUGJLBSA-N 808.346 8.093 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163624290 LKIMHMWOHZQWDA-MFUBYVTQSA-N 757.368 6.897 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222833781 JYCGLSVXRRPBDT-MHZLTWQESA-N 598.563 6.003 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 224715584 VGRSYZFRJSLROX-LOYHVIPDSA-N 547.640 7.058 5 40 KKBB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C 224769698 BQGSDVXPNDOXTM-SXOMAYOGSA-N 529.691 6.756 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225392921 XBRCNLQZKYWERN-NDEPHWFRSA-N 517.601 5.365 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225520645 ZPUCKSOTEBMXEW-JGCGQSQUSA-N 707.647 6.109 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225570074 ZFVGJQDRLFBEMN-WNCULLNHSA-N 659.205 5.791 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260932184 PFXWHFFLUJUSFC-PSXMRANNSA-N 716.832 6.335 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408567820 RMOPCJFNFZEDKC-VRKGNZAUSA-N 621.315 6.256 5 40 KKBB O=[N+]([O-])c1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)cc1 408612177 UTTZSCIGKUAVHE-UHFFFAOYSA-N 526.612 6.964 5 40 KKBB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(/Sc1n[nH]c(-c2cc(Cl)ccc2OC)n1)C(=O)O 408630826 CZBVITMHDOXFNN-YBFXNURJSA-N 503.968 5.106 5 40 KKBB Cc1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 408655811 LRALDVDDTJNFJB-ZHKRYAAZSA-N 592.479 5.995 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408728317 JQZAKEGIUBKTIK-HOSOATPESA-N 685.563 8.399 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408921717 VWRWRHGHKVQNTC-NLRVBDNBSA-N 533.993 6.228 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408999413 CRXWOLURHCWVLG-MHZLTWQESA-N 528.008 6.055 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1Cl 409163066 LJUXBEPUGNFQRP-FOKLQQMPSA-N 657.013 5.809 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 409181227 ZNXAECFVVCIUGH-YTTGMZPUSA-N 633.012 7.622 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1 409188176 BODJZYAUROKTLE-KJDHVJLISA-N 785.691 7.096 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 409195413 IPJHACBEZXAGNF-BKUYFWCQSA-N 504.524 5.020 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1nc(Cl)ncc1F 409263457 MTXNNGDUOZUTLP-NVMNQCDNSA-N 516.894 5.215 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409276694 VERBILUXFJWBDA-DHRITJCHSA-N 582.034 6.209 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)c3ccccc3Cl)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 8836768 IDUOOVYRECYPKO-HFESIUDZSA-N 523.077 6.227 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 16268748 XMYYNZDUOPFVOO-UHFFFAOYSA-N 506.946 5.762 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1 59247854 QIGWQGLNMBWAEV-JQTKYWOZSA-N 612.063 5.757 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1 59331434 HLWFIWFIHXIAII-UHFFFAOYSA-N 517.611 5.273 5 40 KKBB Cc1oc2cc(OC(=O)C3CCC(CNC(=O)OCc4ccccc4)CC3)ccc2c(=O)c1-c1ccc([N+](=O)[O-])cc1 98000365 FUSAIACDDFQJTJ-UHFFFAOYSA-N 570.598 6.315 5 40 KKBB O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(Cl)cc4)c4ccccc4c3=O)c2)CC1 100332349 DDHULONZEUEFQP-UHFFFAOYSA-N 600.462 6.230 5 40 KKBB CCOC(=O)[C@H]1CCCN(CCCNc2cc3oc4cccc(C)c4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1 101027405 ZCWAJPWXFZJBIX-FQEVSTJZSA-N 539.632 5.326 5 40 KKBB COc1ccc(Cl)cc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 103139101 OREOCZTUAMTNSB-CYVLTUHYSA-N 557.990 6.477 5 40 KKBB O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 106015294 NZYFSQLOPMUSLX-ZONZVBGPSA-N 553.502 5.004 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(OS(=O)(=O)c5ccc([N+](=O)[O-])cc5)cc4)c(=O)n31)c1ccccc1CC2 163208334 VAFKNPLTILDETB-GONGWJOBSA-N 651.722 5.003 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 163708021 SSQKEJYNACMXCV-SUAMDDGLSA-N 632.676 5.129 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(OS(=O)(=O)c6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)c1 163768472 VZOPJNSBMYISHR-GSTVVXAASA-N 651.722 5.003 5 40 KKBB Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)C(C)C)c1 167231498 MGRXYAWZHPPKMD-QFIPXVFZSA-N 565.681 5.013 5 40 KKBB CCOc1c(I)cc(I)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 214980846 OQSLADJYNBXMRO-LZYBPNLTSA-N 636.205 5.439 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223863618 RFZYOFANQPFIFY-MHZLTWQESA-N 635.570 5.821 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224291068 WKPZRZUZIAPKNO-NDEPHWFRSA-N 613.136 5.310 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(Cl)cc3Cl)cc2)cc1 224766973 YDKPICZPMPSSNZ-URLMMPGGSA-N 618.571 8.416 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)c1 229619910 HJDDQLIAYWPZHU-IDFSYQMWSA-N 571.589 5.585 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 247312118 ITCOWSBAYTXBHQ-BYBRNZAOSA-N 547.592 5.512 5 40 KKBB CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C/[C@]23O[C@@]2(C)C[C@H](O)CC3(C)C)C(C)(C)C[C@@H](O)C1 299888556 OFNSUWBAQRCHAV-PFLYXXFLSA-N 584.885 9.759 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c1)[C@H]1CCCN12 408565504 LAHAGXJDTNRDCM-JQHZVFBJSA-N 558.849 6.280 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccc(Cl)cc1Cl)[C@@H]1CCCN12 408569321 VPKAVJYCMNYLEI-UQBYDPJISA-N 524.404 5.627 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408648122 JQGXCQIRBHKFNN-DZUWIXTPSA-N 718.549 7.826 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccco2)cc1 408665768 ZJYDVMWINJWFSH-GCKWNZSXSA-N 667.630 5.539 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688610 WJBHRPDKYPYNMJ-HCXPYDJZSA-N 598.442 6.351 5 40 KKBB COc1ccc([C@@H]2C=C3c4c(ccc5ccccc45)OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)cc1 408729664 BUJYPBHBXXAXMH-WBWZXODPSA-N 560.562 5.587 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OS(=O)(=O)c6ccc(C)c([N+](=O)[O-])c6)cc5)c(=O)n42)c2ccccc2CC3)cc1OC 408758390 ZFWKIAOIHRSFBB-VGEDDRPUSA-N 695.775 5.320 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 408781411 SEAHXHTXAKCWGF-CBYYHRJHSA-N 640.537 5.110 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 408822980 DISIEOUYNCXXGZ-STOXBUQISA-N 690.778 5.995 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408828619 NGRWUBRDWINLCP-KEPJHFNWSA-N 727.033 6.489 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)c1ccco1 408844102 ONFQNVSXFYIDQW-MHWRWJLKSA-N 538.921 6.018 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 408942590 GGJIVLQSYNQPQJ-WXKAHTKJSA-N 755.647 6.531 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCC6)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 408991060 MNTKXVFRKZHHCC-UHFFFAOYSA-N 646.175 8.518 5 40 KKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)cc1C 408993393 DNSFRYZMRYYZGX-UHFFFAOYSA-N 544.405 7.288 5 40 KKBB COC(=O)Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5ccc(Cl)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1 409089301 IHLDELSPVONKAW-JGAIACPSSA-N 678.188 5.615 5 40 KKBB CCN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 409090878 QZZVXEBRJZVESR-CXUHLZMHSA-N 636.205 5.439 5 40 KKBB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 409178047 KFVOHLVKBDWRJQ-YZSQISJMSA-N 548.020 6.537 5 40 KKBB COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409181333 BBHZWMNVTJTBAK-UHFFFAOYSA-N 558.930 6.207 5 40 KKBB O=C(CCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1cc(C(F)(F)F)ccc1Cl 409181349 BCTDHZWSCRWWLZ-UHFFFAOYSA-N 522.863 6.521 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409269556 CPKMFPUZKDVNPH-YOWYGEOISA-N 643.165 5.734 5 40 KKBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(I)c1OCc1ccc(Cl)cc1Cl 409345818 KARZTWCTWCACLD-UTCJRWHESA-N 604.184 5.856 5 40 KKBB Cc1cc2nc3s/c(=C\c4c(OCc5ccc([N+](=O)[O-])cc5)ccc5ccccc45)c(=O)n3c2cc1C 409391183 HVEZWNKEVBMWLT-DICXZTSXSA-N 507.571 5.714 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1825877 KXLBSKZLDUDQFB-UHFFFAOYSA-N 538.943 7.295 5 40 KKBB CCCCOc1ccc(C(=O)NN2C(=O)c3cc(Br)ccc3N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 2747251 LQHQKATUPNFDQU-QHCPKHFHSA-N 539.386 5.448 5 40 KKBB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 2798963 SEMBBASOCHCLJO-UHFFFAOYSA-N 552.534 6.692 5 40 KKBB COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 3006590 ZRVZCCQOROHERS-HSZRJFAPSA-N 512.946 5.093 5 40 KKBB Clc1c2ccccc2c(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccc(Oc4ccccc4)cc3)[nH]2)c2ccccc12 6446678 LFHMATKQIRRORQ-UHFFFAOYSA-N 615.132 11.955 5 40 KKBB CCC(C)(C)[C@@H]1C/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2nc3ccccc3c(C(=O)O)c2C1 97981447 AWGJZXOMBMPILK-HGLWPWQMSA-N 531.008 8.294 5 40 KKBB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 97981578 WAJUQCHNKZSDLT-UHFFFAOYSA-N 547.008 5.053 5 40 KKBB CCN(CC)[P@](/C=C1/N(C)c2ccccc2C1(C)C)(=NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)c1ccccc1n2CC 97984701 OBIQUUKRGRFVJR-MQLIANQLSA-N 633.733 8.915 5 40 KKBB C[C@@H](Nc1cc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100325965 FWEDLPKRGCZCBY-PLVCPGIGSA-N 557.522 6.881 5 40 KKBB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1 101519921 QISWAXDVAJKCHG-HNNXBMFYSA-N 557.579 6.736 5 40 KKBB COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1Oc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 101653622 DJFRLTIBIXFZCP-UHFFFAOYSA-N 585.457 6.522 5 40 KKBB biogenic,in-vitro CCOC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 102186408 BDSOABUZZKMQOX-UHFFFAOYSA-N 588.067 5.853 5 40 KKBB C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 102411899 OQJGHNUSNZDRRC-HNNXBMFYSA-N 525.512 6.252 5 40 KKBB O=c1/c(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 102660323 QEFSHYHSPJJGHV-SELCLYCASA-N 620.618 6.067 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 104232427 JAJRPBHWGBHNLZ-UHFFFAOYSA-N 561.598 7.152 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6cccc([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1OC 104658007 ALHYWISCYKRRGY-MRWVFDTMSA-N 591.645 5.504 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccccc1[N+](=O)[O-] 104911532 IQBBEVPRXPYOOU-UHFFFAOYSA-N 526.849 5.523 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 106684328 KORHOJRTHFBGIC-FMCGGJTJSA-N 553.980 5.511 5 40 KKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1Br 106732780 CVQFFECDEABQKK-XKZIYDEJSA-N 525.380 6.173 5 40 KKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1Cl 106734541 GOFZFMDOTFLXJZ-FBHDLOMBSA-N 535.405 7.428 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223350691 MYQFYBWBGKMKIZ-OAQYLSRUSA-N 665.596 5.748 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225262889 FMABVZHSGXOXTE-NDEPHWFRSA-N 740.106 7.324 5 40 KKBB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccc(C)cc3)=C2c2ccc(C)cc2)c([N+](=O)[O-])c1 253575292 ULAFCUFWTKBHAX-JYGBZPGKSA-N 660.726 7.409 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260949252 JOJLVDDFSWFZBP-NVQXNPDNSA-N 645.178 5.483 5 40 KKBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408638764 DJCXDLYKRFGJNB-DUUJBTRBSA-N 680.155 6.060 5 40 KKBB COc1ccc(OC)c(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c1 408748402 AEBRKIUOFFPQIO-UHFFFAOYSA-N 507.549 5.315 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408837819 OFIBNZVIISXPCO-SUAMDDGLSA-N 667.065 5.905 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccccc1 408984757 JWRUAZOKCFKMNX-JQTKYWOZSA-N 612.063 5.757 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1 408990586 XNMMBXULBVUHET-IQPMGOHCSA-N 670.747 5.855 5 40 KKBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409075930 VSRWAIOLCIJCAE-LBFZPMSMSA-N 600.241 5.297 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409081614 QLDUGKSHBQIQEW-JTDJOSNWSA-N 737.412 6.443 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409170531 WEPJBPHODZXVOI-WSDLNYQXSA-N 564.532 5.287 5 40 KKBB COc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3C2=O)c([N+](=O)[O-])c1 409177948 HOPGQUWZJZZPDX-UHFFFAOYSA-N 569.482 5.462 5 40 KKBB COc1cc(-c2ccc(NC(=O)c3ccc(F)c([N+](=O)[O-])c3)c(OC)c2)ccc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 2738496 XVSNATLTMVRDTE-UHFFFAOYSA-N 578.484 5.970 5 40 KKBB COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Sc4ccc([N+](=O)[O-])cc4)cc2)C3=O)cc1 3143023 VXMKHRLIJQHPLX-UHFFFAOYSA-N 525.542 5.808 5 40 KKBB Fc1ccc(-c2nc3c4cc(I)ccc4c4ccc(I)cc4c3[nH]2)cc1 6445700 PBWKSCQCAHKKMI-UHFFFAOYSA-N 564.139 6.885 5 40 KKBB O=C(Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1)c1cc(I)cc(I)c1I 8427104 YLGXCLSYFILOPQ-UHFFFAOYSA-N 785.164 7.422 5 40 KKBB COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccccc1C(F)(F)F)CC2 11726273 MCXPSISGWWIFPM-QFIPXVFZSA-N 516.472 5.449 5 40 KKBB COc1ccccc1-n1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2cc([N+](=O)[O-])ccc21 15982296 NMUGMMVZVKMTGE-UHFFFAOYSA-N 502.474 5.692 5 40 KKBB CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]3c2ccc(OCC)cc2)cc1 97983323 AKSZYOCCHXPUBR-RFLJJRCNSA-N 570.602 6.737 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 100367812 WVZDNBUHSHVTLD-XQNWCSQWSA-N 585.707 5.475 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C(=O)N1Cc1ccccc1 101119004 HKAFWWXDHNSTMU-CYXNTTPDSA-N 529.936 5.555 5 40 KKBB CCCCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCCC)c5C)C(C)=C4CCCC)c(CCCC)c3C 102408834 KBNWAXJWLDRWQP-UHFFFAOYSA-N 590.900 11.859 5 40 KKBB O=C1N[C@@]2(Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)/C(=C/c2cccc([N+](=O)[O-])c2)S1 105929556 RCAFAKOWHZHLQX-JVTNKLPZSA-N 549.406 6.052 5 40 KKBB O=C(Cn1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 106739059 NCXXJSXEGYXRCK-GATIEOLUSA-N 556.556 5.153 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC(=O)c1cccs1 106741052 AHENELDRJHFLGV-ODLFYWEKSA-N 575.418 5.883 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223339004 VBLDSIPJPBDCSF-VWLOTQADSA-N 679.623 6.136 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223911725 JCNAUVRAIRIUMN-HXUWFJFHSA-N 696.020 5.467 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225011305 QCPCOTVEABXFAO-AREMUKBSSA-N 584.536 5.755 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260994696 QNMXNHNSURLLBT-AMGIVPHBSA-N 675.204 5.491 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408563943 BSKBDHALUBVRIJ-BYGVMDBSSA-N 631.321 5.711 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408565176 INJIZEBSMJNLEB-OCAOGGMISA-N 596.453 5.620 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1 408566754 GASNKEIYFZPSKS-VIQOPKQKSA-N 542.817 5.250 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCC 408570658 LTDJLBXNTGVGDW-HXUWFJFHSA-N 537.436 5.254 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)c([N+](=O)[O-])c1 408573194 MTHLDPAAMMQVGK-UXBLZVDNSA-N 603.484 5.575 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccccc2Oc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408619140 MJYMGTDPKOQRQA-UHFFFAOYSA-N 547.589 5.538 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408634686 WMDMFXQMYOWBMR-HMAPJEAMSA-N 522.539 5.368 5 40 KKBB CCn1c(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408634939 YDYAYDZUKYCAJW-HZHRSRAPSA-N 539.614 5.099 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408638396 CKADXGFENXIBBY-OXXFDUNKSA-N 598.011 5.334 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408643881 GPFPOTWHAZYVLY-GOTSBHOMSA-N 594.407 5.885 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(Br)cc1 408649999 LYAMDYXKMBUVRJ-AGTZKDDFSA-N 636.458 5.490 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408936280 HMDZNDHPXVKOOJ-PRLWALMFSA-N 587.654 5.062 5 40 KKBB CCOc1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCCC6)cc3[N+](=O)[O-])sc2c1 408991986 PNXXCUCYGVSNLL-UHFFFAOYSA-N 550.687 7.401 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1CCOc1ccc(F)cc1 409054714 WAGKRAYLOBQGLJ-UCQKPKSFSA-N 573.396 6.191 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409082354 SDQOKGFYDATTAL-FSEOGBMLSA-N 686.512 5.275 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1cccc2ccccc12 409082424 MASKUUZLVPNARS-ASUJOLEISA-N 605.672 5.439 5 40 KKBB COc1ccc(Br)cc1[C@H]1N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N1Cc1ccccc1 409148572 ZJSWCLNPTSSDQE-MUUNZHRXSA-N 558.432 6.727 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(Br)c(Cl)c1 409200425 SDEMDVCLVYSYLB-ZVBGSRNCSA-N 633.820 6.386 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cc(Cl)ccc4C)C3=O)o2)c([N+](=O)[O-])cc1C 409270971 SICPDNRJEHBHFI-JJFYIABZSA-N 525.970 6.108 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C(c3ccc4ccccc4n3)[C@H]12 4048145 NYXWOKXMYHHPEP-ZBMOXSJNSA-N 599.690 8.910 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 10334675 ZKUJEPDKTPKFOX-UHFFFAOYSA-N 508.383 5.429 5 40 KKBB COc1ccc(CCn2c(-c3ccc(Cl)cc3)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1OC 97998525 LUTHYYPWCZWCSJ-UHFFFAOYSA-N 567.823 5.846 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 100360513 LCUDCUTZYDNLBX-AFUMVMLFSA-N 547.589 5.474 5 40 KKBB O=c1[nH]c2c(s1)[C@@H](c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100864386 QOGOWCLXSZOUGF-ZCSMABDTSA-N 501.029 6.229 5 40 KKBB O=[N+]([O-])c1ccccc1SN[C@@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl 102580731 PLTSYXHZTYPKPH-CYBMUJFWSA-N 577.684 5.479 5 40 KKBB O=c1/c(=C\c2cc(Cl)c(O)c(Cl)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 102660287 YSFQQUPQDIDKDB-SEXPAEGTSA-N 550.423 5.239 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c2=O)=N1 163449577 ZLLZBSSELSWIHH-OIUASMPBSA-N 765.639 7.082 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1Cl 214413462 DPCWQPYOLGWZJK-ZVBGSRNCSA-N 569.344 7.949 5 40 KKBB O=C1S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215002872 HUCPJOHAYQBHOO-CVKSISIWSA-N 530.989 7.217 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl 224065751 UNZGAGUMLIMTJJ-UIOOFZCWSA-N 550.040 5.636 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 225146958 AHLHNNXLERAQLT-CLJLJLNGSA-N 562.051 6.675 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260917438 GKKWHMCHWDUHQY-UUWRZZSWSA-N 707.249 6.173 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260952321 VRHSGVGQQMCWDD-UUWRZZSWSA-N 672.779 6.018 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408563534 AXISQPVHCFXRBU-GUCLMEKWSA-N 566.452 5.303 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408564689 DPTRSPVAGUNNEY-KITIHOALSA-N 516.356 5.233 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408564920 GLAVBDWTEHOVSO-WSNNEZGNSA-N 516.356 5.233 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408565449 KTNWDKGOXZTCTO-SIJZCSJPSA-N 612.908 6.135 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1 408565885 DCGCXOCOSPKSSB-SANMLTNESA-N 587.073 6.855 5 40 KKBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)c1 408638757 DIDRZPGDJSRONO-HHLQZUTDSA-N 682.127 5.290 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(Cl)cc1 408642816 NYTOPZKQIMDAPD-UHFFFAOYSA-N 779.417 6.835 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408687550 UPHYXFFSTYNZNV-HZCFWTAGSA-N 666.128 5.590 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408732960 BXJYAVZAJRVADK-DKOMQPSQSA-N 584.437 5.273 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4C(=O)O)cc3s2)cc1 408750379 MDBYCZGPILTMRW-UHFFFAOYSA-N 522.564 5.194 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408944214 UOGKIDKSKXZDMC-FJNIOPPGSA-N 722.614 5.844 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(-c4ccccc4Cl)n3-c3ccccc3)cc2s1 408989946 UROKVZSJJJVFQU-UHFFFAOYSA-N 675.217 8.137 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(SC)cc1 409001918 XYCBNGBDUXBEQY-WDONWYDGSA-N 652.548 5.034 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Br)cc1 409002097 SKQRMCHTFARNPO-PNZYDNNZSA-N 608.470 5.037 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409016073 SEJXCNJFXKYPMF-YZSQISJMSA-N 714.538 5.172 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c2=O)=N1 409032263 BYDUHGPYJXNXMX-QTTRZTASSA-N 652.523 5.518 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1c1ccccc1Cl 409058631 UHPLYKSKMQIOBQ-MTJSOVHGSA-N 501.347 6.722 5 40 KKBB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 409176308 KBQMMDIOWGMMQR-MUUNZHRXSA-N 534.524 5.793 5 40 KKBB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409196453 VWWBPCRBAOIJMI-UHFFFAOYSA-N 573.214 7.096 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccccc1Br 409334137 UIZWFSONIAOZTB-SRZZPIQSSA-N 599.375 5.733 5 40 KKBB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc(OC)c(Br)c3)C2=O)cc1 1900484 PWBZMRUOQXZBRM-CCDWMCETSA-N 582.407 5.206 5 40 KKBB CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n(-c2ccccc2OC)c2nc3ccccc3nc12 2283546 ANHAWPOIIAKYFX-FOCLMDBBSA-N 537.532 5.319 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Br)cc3)CCC[C@@H]2[C@H]1c1ccc(Br)cc1 96022818 ZDNBRCBWQVHZMF-UQBOJQRSSA-N 629.736 8.210 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]3c2ccc(OCC)cc2)cc1 97971239 AKSZYOCCHXPUBR-PWKFOSLKSA-N 570.602 6.737 5 40 KKBB CCN(CC)c1ccc2c(c1)OC(=O)N(c1ccc(Cl)c(Cl)c1)[P@]2(=Nc1ccc([N+](=O)[O-])cc1Br)N1CCOCC1 97984314 PDEZXSWSTZSYNY-VQJSHJPSSA-N 683.327 7.850 5 40 KKBB CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 102945661 JKQXZKUSFCKOGQ-JMNLMPSZSA-N 568.886 10.547 5 40 KKBB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3F)n2[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 108823596 PTBVLKBTEDEXGQ-DOADOZAASA-N 555.632 5.641 5 40 KKBB O=C(O[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 150361491 IJTANGJQVDVKFH-BWLXSFHSSA-N 689.761 7.450 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1cccc2ccccc12 214948613 WVCORUYDRHIBDR-DHRITJCHSA-N 629.410 8.558 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 215065159 DZWXBUHKVYLSAM-FSJBWODESA-N 600.403 6.693 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223608941 UPLWZZVITXUMJT-NLGDKJDOSA-N 663.196 5.998 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)o1 225695559 LHGAYLZBDNTWFV-VSGBNLITSA-N 557.632 5.568 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]2[C@@H]2C=Cc3c(ccc4ccccc34)N21 230057850 QHFYVXFTSTVDLU-WOHWVRMTSA-N 549.970 5.674 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 408566365 FLDJHORPVAPRTG-SSEXGKCCSA-N 570.671 6.825 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Br)cc1 408569128 IXZAEHALMDNFDD-RUZDIDTESA-N 662.404 7.415 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408637747 AZMDWXDAWFMSOO-SADWXVNCSA-N 841.098 7.808 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408638978 DUXKXCQOPBAMNI-LROUJFHJSA-N 648.466 5.238 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408641059 JJJUVDZOTHANHY-SADWXVNCSA-N 851.104 7.263 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733742 PNGJVIHHEOQBKR-UPWSPCOFSA-N 661.048 5.788 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 408910005 VPXSGLIKPIEFHK-ASUJOLEISA-N 673.744 5.092 5 40 KKBB COc1ccc([C@H]2NC(SCc3ccc([N+](=O)[O-])cc3)=NC(C)=C2C(=O)Nc2ccccc2)c(OC)c1 408978591 NAJPZWRZTAVYOT-RUZDIDTESA-N 518.595 5.458 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4c(C)c4ccccc34)c(=O)n2[C@H]1c1ccccc1Cl 409000846 NJFJZDUSQXHVRI-HRIDGTDGSA-N 553.083 6.067 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c2=O)=N1 409043255 YPAPXTKYXIGQSA-GVMLUORFSA-N 713.404 5.811 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c(Br)cc1OCc1cccc2ccccc12 409078994 KAHRTOXZUZWNAO-YIDORKBYSA-N 728.621 6.598 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409164252 FPVQHDDNKOMWIC-ZVHZXABRSA-N 568.007 5.901 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 409190108 WKCBISJQWDZHFK-CIAFOILYSA-N 545.798 6.831 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 409220559 BMFGZYLSTLFYSK-SRZZPIQSSA-N 594.270 7.480 5 40 KKBB COc1cc2ccc3c4c(c(OC)c(OC)c3c2cc1OC)C=C(c1cc(=O)oc2ccc(C)cc12)N(C)CC4 604404513 OVXYPWMMDWPQQY-UHFFFAOYSA-N 537.612 6.428 5 40 KKBB biogenic Cc1cccc(Oc2cc(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3cccs3)N4)cc([N+](=O)[O-])c2)c1 1299895 RWGFMHOLNXVREQ-DENIHFKCSA-N 543.527 6.866 5 40 KKBB CC(C)OC(=O)c1c(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc([N+](=O)[O-])cc2)N3)sc2c1CCCC2 1811156 UYTIPFIXSXUXHB-FXAWDEMLSA-N 577.585 6.209 5 40 KKBB O=C1S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl 29503413 ADFWDYKBRHCOKS-SRZZPIQSSA-N 535.405 7.428 5 40 KKBB O=[N+]([O-])c1cccc(C2=NN(c3nc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cs3)[C@@H](c3ccc(F)cc3)C2)c1 33358433 HRPMXCRUGMYSIL-HHHXNRCGSA-N 593.662 5.234 5 40 KKBB CCCc1ccc(C(=O)N(c2ccccc2)[C@@H]2C[C@@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 97940046 HXMKCUJHWXRGRT-SLGOVJDISA-N 533.628 7.374 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 97983818 CSEVLRDDKRAYBV-ZHPYGUFWSA-N 612.599 5.685 5 40 KKBB CCc1cccc(CC)c1NC(=O)C1=C(NCc2ccco2)S[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=N 102671843 QZPSFDAXOOYUGQ-DEOSSOPVSA-N 568.055 5.680 5 40 KKBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2s1 105306282 ZCEHFRODUILEPS-UHFFFAOYSA-N 533.635 5.143 5 40 KKBB COc1c(Br)cc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 150430595 WSXPUFFQKUOVSS-ITIZVALFSA-N 653.352 5.761 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 215228082 XNZBVFMIWOIGEQ-KIBLKLHPSA-N 568.991 6.191 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223901991 SIZUDMYVSUCKSI-QFIPXVFZSA-N 526.486 5.859 5 40 KKBB C[C@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2Cl)C1 224140481 JFOZYGXJNYIJSE-ZVERSMQUSA-N 587.149 7.093 5 40 KKBB C[C@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2Cl)C1 224140660 UTKHQSYKDLFZIW-ZVERSMQUSA-N 587.149 7.093 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225501499 IJXBEUVYNPLUHC-GDLZYMKVSA-N 614.595 7.224 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1)Nc1cccc2ccccc12 225710951 XJQRAUCDRLLZQW-XZWHSSHBSA-N 562.655 5.935 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 408564876 AQGAFEAJLSYIHB-DEOSSOPVSA-N 505.556 5.481 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 408570890 MEPMLQOHQKNNCM-VWLOTQADSA-N 525.030 6.235 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 408576988 YIDKOLVFEHHMTF-DEOSSOPVSA-N 545.448 6.580 5 40 KKBB O=C(CCCCCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccc([N+](=O)[O-])cc1 408661316 QMOKLRISHNUBLJ-ZHKRYAAZSA-N 593.463 5.792 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408723242 RWLCQBRKJNTWHX-ZSAJNUMDSA-N 701.562 8.099 5 40 KKBB COc1ccccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408737040 LEVFFLCKMDYRGJ-AREMUKBSSA-N 509.562 5.102 5 40 KKBB Cc1sc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)nc1-c1ccccc1 408755238 ZSGZJMVOVYYVFG-HSZRJFAPSA-N 516.579 5.503 5 40 KKBB O=C1c2ccccc2C(=O)N1CN(C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(Cl)cc1Cl 408841800 HPVJTPNWSIYIHG-UHFFFAOYSA-N 560.802 6.670 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409037236 MGQZAFMHBWKWCK-RIFKOAFWSA-N 766.667 6.243 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409037906 ODLTZTCTHGURLU-ONOZBBEISA-N 783.610 5.974 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cc(C)c(C)cc4[N+](=O)[O-])C(=O)[C@H]32)c2ccc(OC)cc2)cc1 409047220 NVNZYWBVOXQSDP-XCQPVXNCSA-N 536.584 5.652 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409083340 AEBQHOMOHHKHLK-SRZZPIQSSA-N 511.893 5.068 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1 409097928 HTXJAYNGZKSIRY-CJIXEESDSA-N 682.180 5.104 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 409182521 MDJSTXSGYJAXPV-UHFFFAOYSA-N 563.349 6.852 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=C(/Sc2n[nH]c(C)n2)C(=O)O)nnc1-c1cccc(Cl)c1 409190087 WCNYSMAZCSCELO-WOJGMQOQSA-N 544.018 5.322 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409190235 QIDGDHJKDBILOI-BXMULHQWSA-N 781.700 6.747 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)o1 409219634 SPXUKJMFJQUGQX-KEBDBYFISA-N 531.905 5.331 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2cc3c(cc2[N+](=O)[O-])OCO3)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409372544 MIAIZIXZFJWBAD-UHFFFAOYSA-N 525.521 5.312 5 40 KKBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@@H](NC(=O)OCc3ccccc3)c3ccccc3)ccc12 2264412 VLUNEHIAOXVAIW-MHZLTWQESA-N 509.514 5.528 5 40 KKBB O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3)Nc1ccc([N+](=O)[O-])cc1 12618100 BORRKXMPUOYXIA-UHFFFAOYSA-N 506.609 5.024 5 40 KKBB Cc1sc2ncnc(Sc3ccccc3C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c1C 13129068 YQBJTKYTYLOQQL-UHFFFAOYSA-N 505.625 5.330 5 40 KKBB COc1ccc(OC)c(-c2cc(C(=O)NCCc3ccccc3)c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c3n2)c1 20135909 IDSVDCUALOZDKT-UHFFFAOYSA-N 523.549 5.190 5 40 KKBB CC1=C[C@H](O)CC(C)(C)[C@@H]1/C=C\C(C)=C\C=C/C(C)=C/C=C\C=C(C)/C=C\C=C(C)\C=C/C1=C(C)C[C@@H](O)CC1(C)C 43768017 KBPHJBAIARWVSC-QXYNVLSTSA-N 568.886 10.403 5 40 KKBB CC(C)Oc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)c1 100374720 REMPQDLGZLRQSZ-MGIIHASJSA-N 546.712 6.361 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccccc2F)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 101346874 FKHUEKPAIQNTBW-UUYOSTAYSA-N 543.370 6.312 5 40 KKBB CCOc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2c[nH]c3ccccc23)cc1 103080701 DPCBTNWLAHYHDD-UHFFFAOYSA-N 549.012 6.107 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 103933645 FJNJVAZEJPMOGS-QQAZKLLISA-N 548.599 5.869 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n31)c1ccccc1CC2 104654903 ONLCKFFXOLQGGU-MRWVFDTMSA-N 575.646 5.804 5 40 KKBB Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@H](C(=O)Nc3ccc(C)cc3C)[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 105105191 IPNOEJKGVICOJE-IEVQEWPMSA-N 543.620 5.146 5 40 KKBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(-c2ccc(Br)cc2)o1 105303849 QPWCSGFXSVOLLT-UHFFFAOYSA-N 549.834 5.108 5 40 KKBB O=C(Nc1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1Br)c1ccccc1 105355625 DTVRKXWHEGOLSC-UHFFFAOYSA-N 530.787 6.730 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106740625 GXFDDSLOJLZVPI-UUYOSTAYSA-N 543.370 6.312 5 40 KKBB Cc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)Nc3ccc(SCC(=O)Nc4nc(-c5ccc([N+](=O)[O-])cc5)cs4)cc3)o2)cc1 150483282 BRYISOHVZXHFMS-QXPFVDMISA-N 715.813 8.427 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223382787 NHPJVZXDPVIXEG-ZORMNXRFSA-N 642.778 5.653 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224591745 QWHTZQUGFXVWGJ-UUWRZZSWSA-N 688.803 5.282 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 224725240 JHORIGNZPAXXEQ-IHLOFXLRSA-N 548.624 7.528 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 408564974 GVYSRTNOWWDAFZ-GUHIOJMWSA-N 523.589 5.386 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 408574573 VHKGHBNZTOOYCU-HSZRJFAPSA-N 528.993 6.066 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408642309 MUFKOVWELAYNKZ-SADWXVNCSA-N 806.653 7.154 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408722662 BLZZJOTWNUSNJW-KXANFNGZSA-N 750.432 8.853 5 40 KKBB Cc1ccc(N2C(=O)c3cccc4c(-c5ccc(Br)cc5C)c([N+](=O)[O-])cc(c34)C2=O)cc1 408756967 KVYNSMUOFLXABY-UHFFFAOYSA-N 501.336 6.595 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408985555 NKQPYGLAVDXUHH-JBVGNYNVSA-N 675.166 6.500 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409258367 SYZMNBTZDOXZSV-UUYOSTAYSA-N 618.045 5.008 5 40 KKBB CC(=O)Nc1ccc(Oc2cc(NC(=O)c3nc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc1 3139673 MFGVJQMLTRZXNZ-UHFFFAOYSA-N 577.479 5.721 5 40 KKBB Cc1ccc2nc(NC(=O)[C@H](Cc3ccc([N+](=O)[O-])cc3)NC(=O)C(c3ccccc3)c3ccccc3)sc2c1 8424968 GYZULYYZZCMAMG-SANMLTNESA-N 550.640 6.011 5 40 KKBB Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1nc([N+](=O)[O-])nc1Br)(C3)C2 8444585 TXTKSYWEIBDFEN-MEYXOBLXSA-N 623.339 6.051 5 40 KKBB Cc1cc(CSc2ccccc2)ccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 59646700 WRIDGKKMGIJSGI-UHFFFAOYSA-N 547.658 6.030 5 40 KKBB COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc([N+](=O)[O-])cc4Cl)c(Cl)c3n2)cc1OC 100086417 OWFJXNIQUCWDMZ-UHFFFAOYSA-N 556.284 5.900 5 40 KKBB CC(C)c1ccc(C2=NN(c3ccccc3)[C@]3(C=C2)SC(C(=O)c2ccccc2)=NN3c2ccc([N+](=O)[O-])cc2)cc1 102402041 GSKMSRNUDWDMFH-XIFFEERXSA-N 573.678 7.602 5 40 KKBB CCc1nc2c(c(=O)n1-c1sc3c(c1C(=O)OC)CCCC3)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 102425715 WXSIZFWKQWJBTJ-UHFFFAOYSA-N 563.683 6.179 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3c4ccccc4cc4ccccc34)[C@H]2C(=O)N1c1ccc(Cl)cc1 102738715 XOGFVUWLFDJLNB-ULNSLHSMSA-N 504.973 6.698 5 40 KKBB Cc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103534643 RJPHSPNOPSCOST-GGVMLGSCSA-N 555.590 5.885 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 103557026 TWEYRJRCWKGVMN-CTMYTVLESA-N 585.572 5.180 5 40 KKBB Cc1ccc(NC(=O)[C@@H](OC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)c2ccccc2)c([N+](=O)[O-])c1 104347988 LJZDPRZUOQPXDA-SJHGJASASA-N 552.671 7.281 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)cc2)cc1[N+](=O)[O-] 106700536 QYPIKKLUFDUBSG-YVNNLAQVSA-N 579.439 6.214 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 150394576 BTQFAUXZRHTFOK-KUSDHMTMSA-N 637.670 5.121 5 40 KKBB O=c1/c(=C/c2cc(I)cc(I)c2O)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 150445272 BTTUDEKMLJVGSQ-DKOMQPSQSA-N 733.325 5.142 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(SC)cc1 163713577 XIVWDPHSCFVUAU-IGSNNMATSA-N 712.853 7.553 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 163739498 BNUMQRIVZJCQHU-MXLMUYMQSA-N 666.668 5.569 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 215136224 ITUNRZCOGFOQKR-WYMPLXKRSA-N 542.972 6.602 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223755783 MGNUSVOSKRSYIJ-HHHXNRCGSA-N 601.125 5.167 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225081984 WXJAZGKINAOSLG-MUUNZHRXSA-N 600.568 6.834 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261053392 MKFGYHHLIAUUPE-UKJJDJLKSA-N 707.647 6.107 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3cccc(F)c3)c(Cl)c1)[C@H]1CCCN12 408563416 AJSSSZJSVGEXLK-LADVCJOISA-N 542.394 5.766 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408566433 NYNLGKOHGTUJJM-KITIHOALSA-N 532.811 5.748 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408631487 FDZJZWXWDGOAPP-UCQKPKSFSA-N 536.566 5.677 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Br)cc1 408650003 LYAMDYXKMBUVRJ-QYVRTBTHSA-N 636.458 5.490 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 408729315 DODDOKXLUNUYOP-RIFKOAFWSA-N 730.593 6.317 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)cc1 408822950 CZPSXIRSVQPEKS-NBQDTTAVSA-N 606.704 5.326 5 40 KKBB O=c1/c(=C/c2cccc(OCc3ccccc3)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408842191 NQLQDLNQEYYWFA-ISZRBDKASA-N 571.658 5.806 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917513 VZRFJHRHSGJYRR-WSDLNYQXSA-N 515.374 6.717 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]23)cc1 408973431 AUDUQTPCFRXWJI-JXWCMEKSSA-N 644.727 7.709 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(c1ccccc1)(c1ccccc1)c1ccccc1 409178514 KMFLBLUDAGEWKR-UHFFFAOYSA-N 515.565 7.465 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 409179367 QRRUQWBZRIURME-UHFFFAOYSA-N 539.456 5.453 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 409179822 UABSICYWLSPQAW-GDLZYMKVSA-N 567.395 7.354 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1 409193140 CJCSDNCHVMUAEL-GRSHGNNSSA-N 617.162 5.592 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O)Nc1cccc(F)c1 409243705 ZRMXKBWFOJZSBA-UFFVCSGVSA-N 561.469 6.220 5 40 KKBB O=C(Nc1ccc(I)cc1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 409337798 WAXPWUFNEURVIE-UHFFFAOYSA-N 527.325 5.736 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 409348794 PKOUMYHVZHYQIN-FQEVSTJZSA-N 599.928 6.414 5 40 KKBB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 409382535 SOOWTOAAQHRNGK-NRFANRHFSA-N 530.400 5.704 5 40 KKBB O=C(Oc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Oc4ccc(Cl)cc4)c3cc12 8383244 CSFVOJLCIMAUDT-UHFFFAOYSA-N 641.510 9.862 5 40 KKBB O=C(Nc1cc(Oc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 8397994 VPRXJKSBJXVGSW-UHFFFAOYSA-N 627.910 8.102 5 40 KKBB CC1CCN(CCCNc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)CC1 9111459 YIIOSTDDCVTIPA-UHFFFAOYSA-N 523.677 6.772 5 40 KKBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 57317160 JDGUIUHKWPFWTQ-WYMLVPIESA-N 502.571 5.201 5 40 KKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1ccc2c(c1)c1ccccc1n2CC 97951041 WQDCOFGJQMWCHF-UHFFFAOYSA-N 540.671 7.479 5 40 KKBB CCOc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)c1 97955036 YAXQSZGROMJYRA-VABKMULXSA-N 528.348 5.351 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3cccc(OC(F)F)c3)CCC[C@H]2[C@H]1c1cccc(OC(F)F)c1 97971244 YQFWNGPHKLGWOP-OMZIQHPLSA-N 654.617 7.071 5 40 KKBB Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1C 100391813 WEONZRXQHAZNAO-OXDHSNLGSA-N 552.741 5.739 5 40 KKBB CCCCN(CCCC)S(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)N(CCCC)CCCC)ccc12 101192623 ISYQRNFREXMNGV-UHFFFAOYSA-N 578.797 6.128 5 40 KKBB O=C1[C@H]2[C@@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)cc1 102754675 WVLGEHNEHBKCGS-ISJGIBHGSA-N 550.354 6.213 5 40 KKBB COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Cl 105308104 CRJMLVZGSOTIGK-UHFFFAOYSA-N 552.012 5.792 5 40 KKBB O=C(Nc1cccc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)/C(=C/c1cccs1)NC(=O)c1ccccc1 113563600 GGGODZXPGPHXCT-XCGQMGKMSA-N 598.662 5.490 5 40 KKBB CCOc1cc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 164809316 RJZIANNDRLQWBE-UHFFFAOYSA-N 644.522 6.351 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 208358777 BVVJJMPKEUKPFQ-YIECNSLDSA-N 674.529 5.891 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222751012 VXRNZBFXFBFMBK-LJAQVGFWSA-N 655.560 5.483 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225357818 NPXWPGDRRROFGJ-PMERELPUSA-N 606.745 5.089 5 40 KKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1 225377692 MHGIBAUNJPEGLU-VSGBNLITSA-N 525.634 6.279 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225482581 AZRNCPFXVBGZPO-MUUNZHRXSA-N 568.501 6.533 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225542044 JTFHUJUGHKHUMJ-MHZLTWQESA-N 598.563 6.147 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260907269 JMYFMBQIRDLQJM-JOCHJYFZSA-N 736.085 6.389 5 40 KKBB COc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408603252 BRJCIMHEQJMUPU-UHFFFAOYSA-N 596.702 7.424 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408640113 HHUOWWSLIUGAMM-WCQFOESSSA-N 778.643 7.727 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408642928 OIHSOKYZVCDDFU-UHFFFAOYSA-N 618.385 5.657 5 40 KKBB O=c1/c(=C\c2c(OCc3ccccc3F)ccc3ccccc23)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408772025 MLPFLOYZHWDPAE-NGPGRIRTSA-N 639.708 7.098 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4Br)C(=O)[C@H]32)c2ccc(OC)cc2)cc1 409083824 UOEBHOCGPPZDQL-TUJIQRHUSA-N 587.426 5.798 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 409119348 SDTGLHNTMDCOEX-UHFFFAOYSA-N 524.382 5.053 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC 409160680 HVVUNJXDXGLIOU-NFYDWNOTSA-N 696.605 5.036 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409268932 ZVFQAPPXOCAMGL-ZVHZXABRSA-N 642.484 6.019 5 40 KKBB COc1ccc(C[C@H]2c3ccccc3CC[N+]2(C)C)cc1Oc1ccc(C[C@@H]2c3ccccc3CC[N+]2(C)C)cc1 1766821 CHPHCFWSDPAATF-GPOMZPHUSA-N 548.771 7.320 5 40 KKBB CCC[C@@H]1c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2N=C2C(Nc3ccc(C)cc3)=Nc3ccccc3N21 2343034 GZVGRDREJJDUNX-RUZDIDTESA-N 505.582 6.944 5 40 KKBB CCCCc1nc2sc3c(ncn4c(SCC(=O)Nc5ccc(Br)cc5)nnc34)c2c2c1CCC2 2554945 HUNMHWHZVYBHKA-UHFFFAOYSA-N 567.538 6.212 5 40 KKBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C(=O)Nc2cccc(Cl)c2C)c1C 2727186 JCKBSOSZXCBWAD-UHFFFAOYSA-N 536.393 6.261 5 40 KKBB O=C1N=C(O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCc4ccccc4[C@@H]32)C(=O)N1c1ccc(Cl)cc1 14944670 OCTWHJYZKKWRBY-GJZUVCINSA-N 502.914 5.018 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)cc1Cl 16214704 GLWPQWLPJKCEQB-UHFFFAOYSA-N 510.805 6.344 5 40 KKBB CCN1CCN(c2ccc(Nc3nc(/C=C\c4ccc(Cl)cc4)nc4cc5ccccc5cc34)cc2)CC1 55214839 SOFRAPYDFFZZEY-SXGWCWSVSA-N 520.080 7.492 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 96022106 GKIOLGDHUXLMRI-HAMILOMTSA-N 544.740 6.872 5 40 KKBB C[C@H]1C[C@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 98050196 IIIBMFAXUHDFLR-KMRXNPHXSA-N 596.108 8.219 5 40 KKBB O=C(CN(Cc1ccc(Cl)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 100241687 RYYDUDCCUBBBGV-OAQYLSRUSA-N 553.786 5.638 5 40 KKBB CC[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)[C@]1(c3ccccc3)CC[C@@H](C(=O)OC3C[C@@H]4CC[C@H](C3)[N+]4(C)CC)c3ccccc31)C2 101107084 LIIILPIXOYWUHW-TVJVBHPQSA-N 600.844 6.256 5 40 KKBB CC(C)c1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(Cl)cc1Cl 103002497 NJZDFCNKDYNVNE-OAHLLOKOSA-N 590.920 8.045 5 40 KKBB Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 103055255 NCYCKADOPYYDJV-PLWJUESGSA-N 537.787 5.692 5 40 KKBB COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 103520516 UJXJYYUZGWGZMW-NGTMZHBCSA-N 571.589 5.585 5 40 KKBB CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C 103651940 ABTRFGSPYXCGMR-SPGRWTNASA-N 552.887 11.743 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 105249094 CFBCFQUXJJWFQE-UHFFFAOYSA-N 555.256 6.453 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1 111465196 XHZJGEQTYGTWPY-AYTQJLEDSA-N 577.618 5.104 5 40 KKBB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)sc2c1 112230985 HRFAHYKEDNVRJG-UHFFFAOYSA-N 533.635 5.143 5 40 KKBB O=[N+]([O-])c1ccc(Oc2ccc3ccccc3c2Cc2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc23)c([N+](=O)[O-])c1 150409946 VOGBMCHVABBLFM-UHFFFAOYSA-N 632.541 8.801 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 163630699 GMDKXKGKDAXEKB-SZYVSPPHSA-N 694.560 5.065 5 40 KKBB CC(C)(C)c1ccc2c3[nH]c(c2c1)Nc1[nH]c(c2cc(C(C)(C)C)ccc12)Nc1[nH]c(c2cc(C(C)(C)C)ccc12)Nc1[nH]c(c2cc(C(C)(C)C)ccc12)N3 206545373 CNTHZTRBENLNAS-UHFFFAOYSA-N 745.032 14.090 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214707461 OZOQIGXHPZGAOK-ZMOGYAJESA-N 559.427 7.116 5 40 KKBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 224818843 QSAZCEABOXSWBN-GDLZYMKVSA-N 545.705 5.835 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(C)cc1 408565538 CFQQCVMPYHBIKT-HHHXNRCGSA-N 518.639 6.199 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1F 408571950 QBFDUKTXBSVHNL-VWLOTQADSA-N 601.498 6.792 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 408873796 VXJBSKDWSVCWLJ-KSEXSDGBSA-N 666.428 6.639 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408933922 BBJJXRWBESAHRB-TZUCAZQYSA-N 814.611 6.198 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c2=O)=N1 409041021 YUVMMZZHCXKVRV-FSEOGBMLSA-N 676.962 6.716 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccccc1OC 409098612 QVLPSPPVAXUJKT-QPJBPQEWSA-N 651.539 5.043 5 40 KKBB COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409188405 HHOHQHUVJKRNLI-YVUMUJEDSA-N 504.882 5.220 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409198977 GLBIQLKWMBUUQT-VPNURPJOSA-N 545.526 5.072 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1 3669544 CRWADNZRDHGYED-UHFFFAOYSA-N 501.589 6.911 5 40 KKBB O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 5328878 UQMHJLPPQQQBSM-UHFFFAOYSA-N 601.827 5.595 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-] 5949397 IXTUQKKIPMRVFV-UHFFFAOYSA-N 508.581 5.411 5 40 KKBB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 6093207 QFNKGIWVXOMVJB-SFHVURJKSA-N 539.610 5.186 5 40 KKBB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10041713 BKJPSGUKHLKUJN-GDLZYMKVSA-N 508.530 5.010 5 40 KKBB Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 59331432 DKQBSFVODNYBMP-UHFFFAOYSA-N 517.611 5.273 5 40 KKBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 101589811 KHCJVOYEERZCRS-MIARMAKKSA-N 599.599 5.502 5 40 KKBB C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2)C(=O)Nc1cccc([N+](=O)[O-])c1 103079763 MHVMGOQKQCUKMM-WUVIJCSQSA-N 545.954 6.606 5 40 KKBB COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 103553431 XDKVONHITCMNLZ-ZPNDBRHUSA-N 585.616 5.850 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccccc3N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2[N+](=O)[O-])CC1 105355203 FBKJEWSJIRTULF-UHFFFAOYSA-N 562.070 5.699 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(F)cc1 163537789 WKZDPSHKVLQRCC-PSAPEEBNSA-N 666.643 5.683 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214267388 KKICJGQMQJAEID-SSDVNMTOSA-N 525.470 5.680 5 40 KKBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222952369 OWZPWEKYLQTCOH-IBGZPJMESA-N 621.543 5.429 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(Br)s3)cc2)cc1 224761408 OYYFXWYVFYUIDF-PKTZIBPZSA-N 569.531 7.142 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225364923 XKCHBWRNXQUSII-WJOKGBTCSA-N 650.798 5.406 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccc(Cl)cc1)[C@]21C(=O)Nc2ccccc21 248337208 PNPZEWJZMSIVKO-CTMYTVLESA-N 590.035 6.494 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408570685 LWJNFNDQRQLBEC-LCILEWSWSA-N 572.843 5.258 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(C)cc1 408571357 OMPQYCSVCNKKKH-RUZDIDTESA-N 508.575 5.721 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1ccc(Cl)cc1 408571912 PVSXSISELHTYBD-QHCPKHFHSA-N 604.870 6.589 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1 408606544 INXQYPFCMNPOFL-UHFFFAOYSA-N 504.324 5.789 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408638723 DEZITUCLQZWQPM-UHFFFAOYSA-N 583.940 5.004 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408644132 QTTKLWFUMNXIGQ-SADWXVNCSA-N 806.653 7.154 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1 408669236 XCGGGFACMVJFKZ-XXSMREGWSA-N 627.436 5.732 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409030109 CKLVDMBXWOQDAH-OKMHPQNISA-N 752.640 5.852 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409078160 GTZNIXKNNPVGHS-ZWTBYVTRSA-N 668.522 5.136 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409161158 WYWHEFCRXOHMHR-NRFANRHFSA-N 565.483 5.679 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409205170 FWGRTODTIAEWHM-OEAKJJBVSA-N 521.507 5.583 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)c(Cl)c1 409219177 KDNJRCHXDBRTKX-JJFYIABZSA-N 541.944 5.641 5 40 KKBB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1 797502 LOCMTPOAMAPSNS-UHFFFAOYSA-N 508.991 5.480 5 40 KKBB C[C@H](c1ccco1)N(C(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccn1 8686791 UEEVIRZBHZSJEG-MRXNPFEDSA-N 526.958 5.445 5 40 KKBB aggregator O=[N+]([O-])c1ccc(CSc2ccc(Sc3ccc(SCc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 59662313 JADIWGNXCRGRFF-UHFFFAOYSA-N 520.657 8.239 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)cc1 100369393 AEFWZKKDCRGBJO-IWIPYMOSSA-N 549.630 6.128 5 40 KKBB Cc1ccc2c(c1)N1[C@H](C(=O)c3ccccc3)[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]1C=C2 102890429 SETJNAPNEKCWEW-WFPUBZAHSA-N 555.590 5.759 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1 103863637 LTPNIXIAEGXZBE-GWXNNEATSA-N 596.708 6.251 5 40 KKBB CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3Cl)CC2)cc1 105025541 PAZPBQWKYBJKJL-UHFFFAOYSA-N 553.015 5.260 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306332 LDHOBDBPVMQMNK-UHFFFAOYSA-N 537.985 5.020 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105313501 CKHXDPVIXBAODB-UHFFFAOYSA-N 564.377 5.947 5 40 KKBB Cc1nn(-c2ccccc2)c(O)c1C(c1ccc(N(C)C)c([N+](=O)[O-])c1)c1c(C)nn(-c2ccccc2)c1O 108423176 KJMYYWYOGHMDLU-UHFFFAOYSA-N 524.581 5.240 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)c1 111468548 INCUKWABIAUHIJ-IMUCPKNRSA-N 620.687 5.668 5 40 KKBB COc1ccc([C@H](CC(C)C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 139683208 NLPQJIROIRTKSP-DEOSSOPVSA-N 590.098 5.673 5 40 KKBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(-c2nc(-c3ccccc3)c3cc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)ccc3n2)cc1 150384263 WSCRRGSSAUJPTA-UHFFFAOYSA-N 662.574 6.381 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 150391808 UBDVGMBZVBDAFB-FWESEHMYSA-N 642.089 5.766 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc([N+](=O)[O-])ccc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1OC 163267188 IGTATPFGHFAOKD-OIUASMPBSA-N 626.090 6.158 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1cccc(F)c1 215019141 DFYCDOLPZDGGPW-WSDLNYQXSA-N 573.396 6.321 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222720346 OJVCDJDXTYHKOV-YTTGMZPUSA-N 646.741 5.342 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl 224072851 FCELKBISWMBBES-KAYWLYCHSA-N 581.050 6.114 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224389177 AZVYMBQAOYERCI-MGBGTMOVSA-N 737.673 6.036 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(Cl)cn3)cc2)cc1 224784632 JMFHUYZESSVXFD-NSOVKSMOSA-N 585.114 7.157 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224952439 XEOFKMXCCBXXQM-UMSFTDKQSA-N 737.250 6.599 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225282642 JAJRNAOYPOEEPC-OAQYLSRUSA-N 512.459 5.468 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1NC(C)=O 225328917 NMKMFGJSWYSRSM-IZZNHLLZSA-N 529.578 5.394 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225725456 FVUYATOVOSXAJO-ZHRRBRCNSA-N 526.486 5.857 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408564919 GLAVBDWTEHOVSO-WQWSHVPRSA-N 516.356 5.233 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 408567785 HJEXGBMVYLBTOT-ZAZCVSCESA-N 532.811 5.794 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 408572089 QOTCUFGYNPPZMX-SANMLTNESA-N 539.057 6.625 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)cc1 408572152 QRVSWWWKLCQGQP-VWLOTQADSA-N 525.030 6.317 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 408572977 RZSILKLVARYCOU-XMMPIXPASA-N 624.344 7.343 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 408633073 VRUPZADLRSTCJS-SRZZPIQSSA-N 575.455 7.064 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1cccc([N+](=O)[O-])c1 408649446 YGHCDCDYUZVXNF-UHFFFAOYSA-N 636.058 7.052 5 40 KKBB COc1ccc(-c2ccc(/C=C3\S[C](Nc4ccccc4)N([C@H]4CCCC[C@H]4C)C3=O)o2)c([N+](=O)[O-])c1 408813847 VHRFUXGKUARWJK-JVNMEBFSSA-N 518.615 6.917 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC 408928043 UZEWCFIZBXLHGR-IMUCPKNRSA-N 622.703 5.027 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl 409153718 MHPAFAVEINPZNP-AUEPDCJTSA-N 642.986 5.419 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 409157670 NFRZTIPGMISBRF-QFEZKATASA-N 542.573 5.281 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O 409274322 VUUPCWMDAPWHEE-LSHDLFTRSA-N 591.951 7.043 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1cccc2ccccc12 409275872 MIEZNRPJTPBEIL-WGOQTCKBSA-N 539.569 6.002 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 409332472 FNDXVJPFNRILBX-UHFFFAOYSA-N 712.816 7.076 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O)N1CCc2ccccc2C1 409388889 XNUXZNXSLNXMIP-CFRMEGHHSA-N 583.544 6.027 5 40 KKBB Cc1cc(OCCCc2c(C(=O)N(CC(=O)O)Cc3cccc([N+](=O)[O-])c3)cnn2-c2ccc(Br)cc2)cc(C)c1Cl 585274059 ZSXHEVRUTBIXRC-UHFFFAOYSA-N 655.933 6.552 5 40 KKBB Cc1ccc(NC(=O)N2[C@H](c3ccccc3)COC23CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC3)cc1 12954848 LZRPHMIOPCZCDG-DEOSSOPVSA-N 585.539 6.432 5 40 KKBB Cc1ccc([C@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1 22429788 SISXPAGVGRJEMA-MUUNZHRXSA-N 515.591 5.004 5 40 KKBB C[C@@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-])c1ccccc1 100104672 KNBAWKPIEGKLSS-GOSISDBHSA-N 545.459 5.041 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5ccc([N+](=O)[O-])cc5s4)cc3s2)cc1Cl 103771130 VQCWWMCJBRVSAV-UHFFFAOYSA-N 616.171 7.238 5 40 KKBB O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 103817037 SUPUIUGIRUVHHA-KEPJHFNWSA-N 608.657 5.989 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105320238 ZRIBQAYPAVWFOU-UHFFFAOYSA-N 557.404 7.171 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 105321058 CKHMFKQLQUNKRH-UHFFFAOYSA-N 535.004 5.414 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106721600 ZEYOXXWBUBWSJA-KSEXSDGBSA-N 609.465 6.223 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 111470272 GNZMTEOTQCYRLG-LLXISZFLSA-N 619.699 6.227 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 111470276 GNZMTEOTQCYRLG-PLNPHXOGSA-N 619.699 6.227 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc(Br)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1OC 163267728 PCGKHOWRASPINR-OIUASMPBSA-N 670.541 6.267 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 163751393 VPVVTVQIYNAZMZ-CBZJRHMXSA-N 708.840 7.955 5 40 KKBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222952284 FPIUAOGRFQPTGB-LJQANCHMSA-N 621.543 5.429 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225343587 QOKXDWUFDYUNGL-MUUNZHRXSA-N 533.694 5.693 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225629088 QJBCMZADRQROAJ-WJOKGBTCSA-N 665.168 5.147 5 40 KKBB CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229651818 RWNXCLOGXUGYJO-XMFJDCMESA-N 599.643 6.365 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 408565202 BHOSLNHZMYMHPW-DEOSSOPVSA-N 603.926 6.998 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408566579 FQGMTNIKBANYCV-AJZQZXEDSA-N 631.321 5.758 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 408570997 MRJICTHRHUISFC-HSZRJFAPSA-N 560.419 6.480 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl 408577109 YOJNUSOSRIKGCH-LCILEWSWSA-N 528.392 5.149 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408642723 FCPFDPLBPSFSDH-AGTZKDDFSA-N 592.007 5.381 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 408821901 AHDLDHCZUJZYFN-LMSRTUJASA-N 668.953 5.701 5 40 KKBB CCOc1cc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408840830 CBXLWOOWTOWVBK-ZZUHSINASA-N 574.998 7.090 5 40 KKBB O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 408918798 PEEWLCDVGBLVBG-ZRDDSIGQSA-N 554.194 5.261 5 40 KKBB CC1(C)OC(=O)C([C@H](c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2c[nH]c3ccccc23)C(=O)O1 409114229 GOAIMEBBYVTZLS-HSZRJFAPSA-N 658.299 6.764 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(Br)cc2)N1Cc1ccccc1 409118499 QPHULRRTFLANBP-MHZLTWQESA-N 528.406 6.719 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)ccc1Cl 409171286 ZLUKBSBFDWSJCJ-MSXFZWOLSA-N 660.082 5.176 5 40 KKBB CCOc1cc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409192447 CRVYGGZOYQWIOT-JPWOZWSLSA-N 548.935 5.619 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409261815 BRVBPWUETMTYSZ-DJKKODMXSA-N 604.475 5.396 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409273080 PNJHIHCKBUNFDQ-PKYOQBLNSA-N 683.625 5.494 5 40 KKBB COc1ccc([C@@H](C)N([C@H](C)c2ccc(OC)cc2)p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)cc1 1857775653 WZONQGCZSGKCCW-CLJLJLNGSA-N 599.667 11.074 5 40 KKBB O=c1cc(-c2ccccc2)c2cc(Cl)c(Oc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])cc2o1 1762039 SHWKRHUPNIBWRW-UHFFFAOYSA-N 506.776 6.741 5 40 KKBB CCCCCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)c2nc3ccccc3nc12 2281368 PWKBUEUHKGCCSO-ISLYRVAYSA-N 549.587 6.481 5 40 KKBB CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1[N+](=O)[O-] 14291247 OLLZRAMPRHSKCF-UHFFFAOYSA-N 522.989 5.170 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@H](c1cccc(Br)c1)N1C(=N2)C(Cl)=Nc2ccccc21 97951620 IWMZWRSNJHBMFR-QFIPXVFZSA-N 547.800 6.773 5 40 KKBB Clc1ccc(CSc2nnc3c4sc5nc(-c6ccccc6)c6c(c5c4ncn23)CCC6)c(Cl)c1 97952634 WUQDATMSZUBPOL-UHFFFAOYSA-N 534.497 7.642 5 40 KKBB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)Nc1cc(Oc2ccc3oc4c(c3c2)CCCC4)cc([N+](=O)[O-])c1 98000558 KMXUBPQMOGPNRM-UHFFFAOYSA-N 646.647 8.317 5 40 KKBB CC[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)CSc1nc2cc(Br)ccc2c2nc(=O)c(-c3ccc(F)cc3)nn12 101875665 DUARVHFODVKPHC-UDNQCKOASA-N 582.499 5.239 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)N1C(=N2)C(Nc2ccc(Cl)c([N+](=O)[O-])c2)=Nc2ccccc21 102447706 LLIATTVXMIKBBP-MUUNZHRXSA-N 560.017 7.538 5 40 KKBB C[C@H]1[C@H]2CC[C@@H]3[C@H](C=C[C@H]4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@@]43C)[C@@H]2O[C@]12CC[C@@H](C)CO2 102812776 ULNDHEVVJSRKCY-KTEUSOLJSA-N 509.643 6.317 5 40 KKBB O=C(CSc1nc2ccccc2s1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 103892734 LYTRQXBXKVEFOA-UHFFFAOYSA-N 524.674 6.837 5 40 KKBB COc1ccccc1C(=O)[C@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 104118972 CHZRWCNJNSGYPL-NIKYWZLZSA-N 571.589 5.585 5 40 KKBB O=c1/c(=C/c2cc(Br)cc(Br)c2O)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 150406581 FVOIVUSQAHKSCE-DKOMQPSQSA-N 639.325 5.458 5 40 KKBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 150436880 AZARJFNQYOMLRF-PKTNWEFCSA-N 644.434 5.636 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl 214075663 GPYPAJGKMMAFTE-SRZZPIQSSA-N 534.899 7.296 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1cccc2ccccc12 214865182 OJIRLYLEHNOISP-AFUMVMLFSA-N 527.514 6.685 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222633938 IOZBAIYVQXMTLB-SANMLTNESA-N 508.018 5.203 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223338910 SHDMKKHKZXNMGS-FQEVSTJZSA-N 621.543 5.431 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223884234 ZPJREEACVVDXSD-NRFANRHFSA-N 661.152 5.376 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)o1 224319109 IDHJWRYWJNVIBY-UIOOFZCWSA-N 500.580 6.052 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225011344 QCPCOTVEABXFAO-SANMLTNESA-N 584.536 5.755 5 40 KKBB CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408554437 DXTLHLBIZLBEMI-DEOSSOPVSA-N 519.406 6.658 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 408569721 XFSQESMZCHQCEK-BBFXTFFKSA-N 537.975 5.121 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1ccc(Cl)cc1 408572604 RLTJKKUDQMDHCV-HSZRJFAPSA-N 577.863 6.820 5 40 KKBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]21 408642737 FCUJLDVJNMZUDT-QQIMBVITSA-N 573.989 5.478 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4[C@H](C3=O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C3(Cl)Cl)c(C)c2)CC1=O 408672562 VLOINKKNHQVTQC-HLDWUNKXSA-N 738.191 5.821 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408690105 ZRKZAZMNMHJYGI-HCXPYDJZSA-N 563.997 5.698 5 40 KKBB CCCCCNC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)NCCCCC)c3cc12 408720315 LANKXBZHTPYEAZ-UHFFFAOYSA-N 558.726 7.957 5 40 KKBB O=C1Oc2ccc3ccccc3c2C2=C[C@H](c3ccc4c(c3)OCO4)[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]3[C@H]12 408729292 AUVPFNZLIYHVFU-CGWRWYHMSA-N 594.963 5.652 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408823957 GCAZSZTXEPUDPE-ITNPZBTBSA-N 692.588 5.835 5 40 KKBB Cc1ccc2c(Cl)c(C(=O)Oc3ccc(Br)cc3/C=C3/N=C(c4sc5cc([N+](=O)[O-])ccc5c4Cl)OC3=O)sc2c1 408845164 PEQOPLBRIKBPFL-VCHYOVAHSA-N 688.364 8.966 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 408871044 VLAPVEPMFSJCQR-KSEXSDGBSA-N 713.428 6.481 5 40 KKBB O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 408918795 PEEWLCDVGBLVBG-CAZKKTPXSA-N 554.194 5.261 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 408948586 KSYMSPXURIQZTP-IYVASWNSSA-N 652.523 5.435 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408974790 DXWLJNQMYSGSIJ-PKYOQBLNSA-N 678.561 5.447 5 40 KKBB CC1(C)OC(=O)C([C@@H](c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2c[nH]c3ccccc23)C(=O)O1 409114230 GOAIMEBBYVTZLS-QHCPKHFHSA-N 658.299 6.764 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409171434 BIKBYSCSDJXLLU-BHGWPJFGSA-N 703.467 5.581 5 40 KKBB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 409173868 OIXZTFXOKOSVAF-UHFFFAOYSA-N 567.381 7.068 5 40 KKBB Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1C 409178373 LNVUNQULAZQORJ-HKBQPEDESA-N 516.553 7.208 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O)Nc1cccc(F)c1 409240268 PHNWXSYFEZBNKI-WYMPLXKRSA-N 530.537 5.412 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 409338619 NBMXVZXGUZTBMW-WYMPLXKRSA-N 664.456 7.967 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409387291 VOFGDKSUTFKEBJ-YDZHTSKRSA-N 538.534 5.189 5 40 KKBB COc1cc2c(cc1OC)[C@@H](COc1cccc(C(F)(F)F)c1)N(C(=O)c1cccc([N+](=O)[O-])c1)CC2 3006849 CKWCAZOZIKLENW-JOCHJYFZSA-N 516.472 5.449 5 40 KKBB CCOC(=O)C1=C(C)N=C2S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)[C@@H](O)N2[C@@H]1c1ccc(Cl)cc1 6544921 GQXFPRLTTCKRAU-YODYTTBMSA-N 586.453 6.818 5 40 KKBB CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 8833159 MQYMHDKIJUOILH-UHFFFAOYSA-N 515.595 5.692 5 40 KKBB COc1cc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)cc2c1OCCO2 79483219 NNWZOAYTHKAJPV-UHFFFAOYSA-N 515.566 6.392 5 40 KKBB COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c(C[C@@H](C)OC(=O)Oc6ccc(O)cc6)c(c(c1C[C@H](C)OC(=O)c1ccccc1)c23)c54 85481764 LSUTUUOITDQYNO-LEWJYISDSA-N 790.774 6.981 5 40 KKBB in-vitro C[C@H]1C[C@@H](N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1Cl 100131363 NHSJVHMTUNJUEZ-XDBZFTIUSA-N 605.434 7.637 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Br)c3)nc2c1 100320102 MYIGRIDPDSGBJN-CQSZACIVSA-N 553.438 6.806 5 40 KKBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1-c1nc2ccccc2s1 103094155 JFGXOURJHXYJNS-RUZDIDTESA-N 588.439 7.171 5 40 KKBB CCOc1ccc(-c2nnc(S[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2-c2ccccc2F)cc1 104005513 FLXVGRSPUKEJFJ-INIZCTEOSA-N 532.557 6.284 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n31)c1ccccc1CC2 104654977 XPIPEZZZCSITCO-UAMLYEQYSA-N 596.064 6.149 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 163745499 MRWAYQKSJVOUOX-VFHSXKMWSA-N 746.845 7.993 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 205666722 LRUJXDVKTJQTNY-ZMOGYAJESA-N 542.972 6.602 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223325734 HZESKNFTKGRZRO-PMERELPUSA-N 635.142 5.220 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2Cl)C1 224140432 JFOZYGXJNYIJSE-JPNDCQDCSA-N 587.149 7.093 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224261106 RISCAWRBPNIBBU-NRFANRHFSA-N 665.596 5.603 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C 225167603 MMPQPQQBJVVKIJ-KAYWLYCHSA-N 526.622 5.615 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225315192 LSHFSEGEKPDTII-HOTGVXAUSA-N 512.459 5.467 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260945847 QLRODQHARLYMQQ-UUWRZZSWSA-N 690.794 5.659 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260994487 OFYMNGSFJYFWNC-MGBGTMOVSA-N 640.762 5.489 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)cc2)cc1 408570313 KWUBDHATJUEBCB-NDEPHWFRSA-N 510.619 6.726 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 408572212 QVKIETVXOFODFO-XMMPIXPASA-N 619.925 6.698 5 40 KKBB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 408802483 FKSUTNOFGLDTGS-UISCDOJWSA-N 567.485 7.671 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1 408924864 RNOFNXJDVKHCAR-MFCBUNOESA-N 589.695 5.385 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408945109 WSCNISDVTGGPQS-QUNTYYFUSA-N 774.033 6.331 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c(Br)cc1OCc1cccc2ccccc12 409078997 KAHRTOXZUZWNAO-YPCWPJDZSA-N 728.621 6.598 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)C2=O)cc1 409234727 XTQPKSDEXNJNNB-JVWAILMASA-N 569.595 6.011 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409269402 IUUVSFWRSMXTEN-FBHDLOMBSA-N 556.503 5.134 5 40 KKBB Cn1c2ccc(Br)cc2c2nnc(SCC(=O)Nc3c(Br)cc([N+](=O)[O-])cc3Br)nc21 585655855 IHNIJCDHKBTHJZ-UHFFFAOYSA-N 631.104 5.443 5 40 KKBB C=C(c1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 1772647829 UQOYPUQPZRJYPK-UHFFFAOYSA-N 683.896 8.637 5 40 KKBB Cc1ccc(C(C)C)c(Oc2cc(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3cccs3)N4)cc([N+](=O)[O-])c2)c1 1309758 IUUDJLOPKKTQAY-PXDATVDWSA-N 585.608 7.990 5 40 KKBB O=c1c2ccccc2nc(Sc2ccc([N+](=O)[O-])cc2Cl)n1-c1ccc(Oc2ccccc2)cc1 3453185 CMVCJJDUXAZPTG-UHFFFAOYSA-N 501.951 6.891 5 40 KKBB CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2[N+](=O)[O-])C(=O)[C@H]13 13540445 YGUPHSYJUKWQMM-PVYCEXIFSA-N 520.626 5.610 5 40 KKBB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1[N+](=O)[O-] 32111986 GGWLMDDOHWZUIM-UHFFFAOYSA-N 516.966 6.645 5 40 KKBB COc1ccc2[nH]c(=O)c(-c3c4oc5cc(O)ccc5c4nc4c3c(=O)[nH]n4C3CCCCCCC3)cc2c1 79190509 PXOXTUCJJFSXAK-UHFFFAOYSA-N 524.577 6.132 5 40 KKBB biogenic O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 96022821 VPRGRGQLRLNGBU-UCNGGQBMSA-N 540.834 7.992 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101259962 BTNNBBAJKPBJBU-TVNXZVQQSA-N 541.563 5.577 5 40 KKBB O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)c1 101574381 SBGILLYDZWZZQK-DTQAZKPQSA-N 554.946 7.641 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@]12C(c1cccc([N+](=O)[O-])c1)[C@]21C(=O)N(c2ccc(C)c(C)c2)N=C1C 102572843 MPZOSKBBYXZCJU-FIRIVFDPSA-N 535.604 5.744 5 40 KKBB COc1ccc(C2=Nc3ccccc3N3[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H](c4ccc([N+](=O)[O-])cc4)O[C@H]23)cc1 102580251 CTECMCQWMGPNDU-ZGIBFIJWSA-N 522.517 6.291 5 40 KKBB Cc1ccc(N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]2C[C@H](C)N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3cc(C)ccc32)cc1 102599700 GPINBUBEJZOIEY-XFQDKJMZSA-N 616.674 7.746 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C(=O)c1ccccc1-c1ccccc1)[C@H]1OC(=O)c2ccccc21 102920656 YXKBCIIQJQYDFH-LSYYVWMOSA-N 520.497 5.180 5 40 KKBB COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccc(N4CCCC4)c([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC 102928565 JFFXOTLGVJYQIL-GIKQKMNISA-N 626.710 6.666 5 40 KKBB COc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1Br 104488807 UYUWYCMYBCSXDQ-UHFFFAOYSA-N 534.322 6.686 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(Oc3ccc(Sc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1 107352829 WDFNWRNGNDQMTO-UHFFFAOYSA-N 566.529 7.414 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150395740 OGGDEJUTUNNCBC-HNVAQCFTSA-N 665.724 5.738 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C1CC1)C(c1ccccc1)=N2 150431297 ZPKYBILEBDSOLQ-WBCKFURZSA-N 646.486 6.728 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 163504598 HOOSIYMBYVGPSD-XDYZZPCYSA-N 650.644 6.075 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccccc1Cl 163916462 HZZOZBJDYCMCDW-RWTNITNYSA-N 628.888 5.382 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222878544 RNFULGBJBBJQPT-YTTGMZPUSA-N 697.641 6.509 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 224724989 CEABISQTGQRVFY-KYJUHHDHSA-N 548.624 7.528 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 224825961 QBRGUZMRCLPRLI-LOSJGSFVSA-N 502.552 5.444 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 225562553 PYOKCEMNIOIESJ-WUFINQPMSA-N 541.633 5.814 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 225692601 NGCAWLXAJAGXKB-SXOMAYOGSA-N 526.622 5.090 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N23)c1 248341995 XDKVONHITCMNLZ-RAESKKBESA-N 585.616 5.850 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 408574006 UJKVFJHGWHCKDJ-XMMPIXPASA-N 569.481 6.344 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc([N+](=O)[O-])cc1 408643861 QDFCAGHMYQKVJN-UHFFFAOYSA-N 813.862 7.488 5 40 KKBB CCCC[C@@H](C(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408683093 HJYHYLCGJKUOMF-LBPRGKRZSA-N 591.231 5.854 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 408837483 GMWBGPVTUYFWRC-ZSJKCPIUSA-N 638.496 5.046 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409165459 YLOZGEZYKDBAMO-ZVHZXABRSA-N 612.458 6.010 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(C)c(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)cc2)cc1 409180959 ZQXKXPMGINNWOG-UHFFFAOYSA-N 578.533 5.271 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 409192816 BVLUZIKFRWTKQN-NHDPSOOVSA-N 506.898 5.519 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409196471 WFELKXFNEPDTHQ-KOEQRZSOSA-N 504.564 5.852 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccc(Cl)cc1)N2 2253188 MJBYQPQLTYHPTN-LUZBKYPTSA-N 533.375 6.201 5 40 KKBB CCCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c4ccccc4C=C[C@H]32)cc1 2260016 CMICDHUVEMGCEC-HPQIJTKRSA-N 537.572 5.046 5 40 KKBB Cc1c(-c2ccc(Cl)c(Cl)c2)nn(Cc2cccc([N+](=O)[O-])c2)c1-c1ccc(Cl)c(Cl)c1 2733292 JYIFPCTWJUSBMP-UHFFFAOYSA-N 507.204 8.096 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Oc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 3176807 KMHVMSRFXQDLFQ-UHFFFAOYSA-N 521.878 5.167 5 40 KKBB COc1ccccc1N(C(=O)COc1c(Cl)cccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3337044 XWXZUMHRBRVEFC-UHFFFAOYSA-N 530.389 6.777 5 40 KKBB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8833162 ZHJXQFOQRPUIRD-UHFFFAOYSA-N 501.568 5.438 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(CCC(c3ccc(C(C)C)cc3)=NN2c2ccccc2)S1 8837411 YVCGPSZAYSNACY-MUUNZHRXSA-N 513.623 6.532 5 40 KKBB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 13898247 UFBMPHOSIYFAJT-ODMWCWQSSA-N 516.941 6.593 5 40 KKBB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 59887993 ZTNJGDKHEFZEFR-LGUFXXKBSA-N 543.601 5.892 5 40 KKBB Cc1ccc(C(C)C)c(OCc2ccc(-c3nc4c5sc6nc(C(F)(F)F)cc(C)c6c5ncn4n3)o2)c1 98046168 DXDGPNRZIDKFRL-UHFFFAOYSA-N 537.567 7.485 5 40 KKBB CCCCOc1ccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc(OC)c([N+](=O)[O-])c4)c(=O)n3n2)cc1 100847555 WOZZDHDVFKLPTL-IMRQLAEWSA-N 594.653 5.314 5 40 KKBB CC(C)CC(=O)N[C@@H](Oc1ccc2oc(=O)sc2c1-c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 102619034 CYNHBZFRAGTGLJ-SFHVURJKSA-N 519.790 5.667 5 40 KKBB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccc(Cl)cc1 102646515 SBJYTCGSPSXMOJ-WHLCRQNOSA-N 501.970 7.208 5 40 KKBB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 102925779 CGETXEIVDPIUKI-UHFFFAOYSA-N 596.042 6.035 5 40 KKBB CCCCNS(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])n2CCCC 103088138 OXPRAABTDPGFEH-UHFFFAOYSA-N 554.094 5.207 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccs1)[C@]21C(=O)Nc2ccccc21 103541649 KUEKYYDBCBGJPW-NAQGONTDSA-N 561.619 5.903 5 40 KKBB O=c1/c(=C\c2cccc(OCc3cccc4ccccc34)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 103790895 WPAVBSQXYHMQJB-DEGAVRALSA-N 621.718 6.959 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSCC(=O)Nc3c(C)cccc3C)cc2s1 103807372 HASRGOTVZJIFNX-UHFFFAOYSA-N 582.729 6.433 5 40 KKBB O=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 107600216 KEELLCRJJBAHDZ-UHFFFAOYSA-N 524.293 5.599 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214086156 ZOSHDVBNQKEPNR-YDZHTSKRSA-N 510.955 6.072 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222527263 RVAYYXBLRANMSH-MHZLTWQESA-N 631.151 5.093 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222760377 WOVBYDCRORCNRI-JGCGQSQUSA-N 646.741 5.342 5 40 KKBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)cc1 224507370 UKZNWKTWYMUZCW-XZOQPEGZSA-N 520.412 5.720 5 40 KKBB CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C 255195094 ANVAOWXLWRTKGA-AABSRPSOSA-N 536.888 12.462 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1 408565231 BKJLOSGLANHJNF-HSZRJFAPSA-N 588.415 6.075 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 408576653 XZTOAPYOKKWDCX-MHZLTWQESA-N 603.528 7.369 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 408577776 ZVYHTGBLFZJKJG-RUZDIDTESA-N 587.471 6.565 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 408638037 BOJITOKUFAGGSA-BJKOFHAPSA-N 636.444 5.702 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408642305 MUFKOVWELAYNKZ-IKTNGCAPSA-N 806.653 7.154 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408666575 VDMCBQXZHLNRBF-JFSLJLJWSA-N 612.469 5.738 5 40 KKBB COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)cc1[N+](=O)[O-] 408667002 ATRZGVZQOGTDTA-UHFFFAOYSA-N 542.544 6.084 5 40 KKBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408673683 XNDASLXLAIHGSI-FHIHVLJZSA-N 613.626 5.258 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408833694 UNSJWMASKZNTFP-KEPJHFNWSA-N 682.582 6.380 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)Nc1ccc(F)cc1 408884208 TUCVEJVJMXRJJT-NHDPSOOVSA-N 759.291 6.197 5 40 KKBB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 408926390 NEDZOHMFYXYILH-ZSJKCPIUSA-N 594.045 5.017 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409064660 DGSSOBIIAYZXKY-SRZZPIQSSA-N 511.893 5.068 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409135416 QMINELJIXMUHQL-JOCHJYFZSA-N 579.708 5.496 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409189482 GZQJPVHFCAATJO-GAPLDZIPSA-N 820.136 7.749 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 409231347 CEEDCXGVJVWWJT-WSDLNYQXSA-N 588.425 6.164 5 40 KKBB Cc1ccc(CN2C(=O)N/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 409235444 QAIBBPWLGKGJJC-WSDLNYQXSA-N 695.251 5.784 5 40 KKBB O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)/C(=C\c2ccc(F)cc2)CCC1 585139696 HIYYGFKEMCPOEG-VRNWFELRSA-N 541.579 5.669 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 2176877 VVBNXVNRDWDPIQ-WWWKDLBZSA-N 578.690 5.512 5 40 KKBB Cc1cccc(NCc2nnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)c1 6442641 IGFBGANUIVKQMO-LJQANCHMSA-N 502.600 5.524 5 40 KKBB O=C(Nc1cc(I)ccc1C(F)(F)F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 19894051 BZMHDTYSCVZLEM-UHFFFAOYSA-N 502.186 5.731 5 40 KKBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1Cl 20610846 WBRMMWBQRFEEGY-UHFFFAOYSA-N 503.902 5.811 5 40 KKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1)Nc1nccs1 44088223 TZZUKZPBIKMRNG-UHFFFAOYSA-N 503.512 5.236 5 40 KKBB O=C(c1ccc(Cl)cc1)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1 97997113 ZDZQPJMAWWFCFB-MHZLTWQESA-N 627.882 7.511 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)[C@H]3C2=O)cc1 102449202 XSUMLPOZXOCJPB-FCEKVYKBSA-N 555.612 6.163 5 40 KKBB COc1ccc(Cl)cc1-n1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1cccc(Cl)c1 103130725 VEPUCPAZHRATPS-CYBMUJFWSA-N 578.865 6.931 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 104708814 BHDNKJSMYVUJJJ-UHFFFAOYSA-N 538.409 5.361 5 40 KKBB O=C(Nc1ccc(S[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1)/C(=C\c1ccc(-c2ccccc2)o1)NC(=O)c1ccccc1 150425932 QWGIYXBLCMVMOG-AXEKGIMKSA-N 694.769 8.737 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 163226056 STPLZDQOHWIYHP-KEQCBNTKSA-N 638.496 5.046 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222632585 HOTNRSPKQOGPRU-RUZDIDTESA-N 649.141 5.232 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223262491 WIASPXCCUCCSSL-CUNXSJBXSA-N 519.667 5.383 5 40 KKBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223909985 SQPSSZBAGOIXDW-HXUWFJFHSA-N 633.554 5.573 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 224513437 FPTRKUTUUSPBMI-BJKOFHAPSA-N 551.422 6.198 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3C3CCCCC3)cc2)cc1 224780420 NYSLWRMDGUCEIA-WDYNHAJCSA-N 555.729 7.625 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC 225197864 XZVPMRHHSDAPBZ-KAYWLYCHSA-N 543.605 5.784 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225328495 WWPOPWDVWPYBGZ-WOJBJXKFSA-N 700.041 6.399 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1NC(C)=O 225333615 UBZDZOSXOWNEIA-FTJBHMTQSA-N 529.578 5.394 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225501983 QTJYESACFVBNSH-MUUNZHRXSA-N 568.501 6.533 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261104401 WUUATCTZMJDCCG-QNLPTKCRSA-N 697.641 6.652 5 40 KKBB CN1C[C@H](c2ccc(OCc3cccc4ccccc34)c(Br)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565329 JXAPSVIIHRHSQO-RVBRUHEGSA-N 558.432 5.703 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccccc1 408577768 ZUHPRVARIMENPD-HSZRJFAPSA-N 515.422 6.572 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)O)n[nH]2)c1 408632190 HVZQCHNCLJCZRY-YSMPRRRNSA-N 571.615 5.926 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408826350 LHRVYLMBVIYBIR-TUVDJZKNSA-N 724.839 7.618 5 40 KKBB COc1ccc2c(Cl)c(C3=N/C(=C\c4c5ccccc5cc5ccccc45)C(=O)O3)sc2c1Cl 408964498 SCPRGCUSAHBQKK-MOSHPQCFSA-N 504.394 7.868 5 40 KKBB O=C(CSc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1[N+](=O)[O-])Nc1ccccc1 408991149 MZTKFZPCWUUGQG-UHFFFAOYSA-N 506.609 5.972 5 40 KKBB O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1Cc1ccc(F)cc1 409016421 CKTUBWQQPKKOBD-SRZZPIQSSA-N 516.312 5.713 5 40 KKBB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409038877 FUDNVUYVDAUBDJ-ASZNLBCTSA-N 678.561 5.447 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409040445 XTQZFZNNFRDKGP-XSTKMXAKSA-N 801.510 6.606 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409105882 JOGIRZYDTSBBBH-BMZLMQSUSA-N 696.811 5.129 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccc(Br)c2)N1Cc1ccccc1 409134234 NIOHRDFCSMQPMN-HHHXNRCGSA-N 528.406 6.719 5 40 KKBB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409135205 XPTGRRXVTHPVKD-FQEVSTJZSA-N 551.456 5.371 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409194004 KEQGIYUCFSUTRG-CIAFOILYSA-N 575.824 6.839 5 40 KKBB COc1cc(C(c2c(-c3ccc(C)cc3)n[nH]c2O)c2c(-c3ccc(C)cc3)n[nH]c2O)ccc1OCc1ccc([N+](=O)[O-])cc1 409367549 FDPLADIRKVNNJX-UHFFFAOYSA-N 617.662 7.171 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3Br)C2=O)o1 409399905 LYSYSLXOXAIPJO-MFOYZWKCSA-N 665.247 5.180 5 40 KKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)sc2c1 1765874 YNHRFOSCHFPHSS-UHFFFAOYSA-N 587.129 7.173 5 40 KKBB Cc1cc(Oc2coc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3c2=O)cc(C)c1Cl 1775228 BJTJGQJGUAAIHU-UHFFFAOYSA-N 500.290 6.636 5 40 KKBB O=C1[C@@H]2[C@@H](ON(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1c1ccc(Cl)cc1 1815394 BFUMWFUBEKUPJU-CCDWMCETSA-N 584.799 6.866 5 40 KKBB Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc(-c3ccc(C[N+]4(C)CCc5[nH]c6ccccc6c5C4)cc3)o2)cc1 1896795 AKLJCWOUCOJXAM-UHFFFAOYSA-N 590.729 6.697 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 3224246 UYWHXFDUTGRVJJ-SPQRHKFCSA-N 591.418 5.802 5 40 KKBB Cc1c(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 3278581 PXTLHXCACFEEIM-GFCCVEGCSA-N 535.525 6.444 5 40 KKBB COc1ccc2c(-c3ccccc3)cc(S[C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)nc2c1 3295458 BFAWWPIZZSEQHD-LJAQVGFWSA-N 556.043 7.944 5 40 KKBB COc1ccccc1-n1c(SCC(=O)Nc2c(Cl)ccc(C)c2Cl)nc2cc([N+](=O)[O-])ccc21 12602208 HVWVXPVQJQINAV-UHFFFAOYSA-N 517.394 6.288 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 49762894 SSIWVYBQEYMNGF-OTGDMCIHSA-N 692.724 6.810 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Cl)c(Cl)c2)ccc1Cl 96022050 FXRJNJGPIUNWMU-UHFFFAOYSA-N 524.773 6.043 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100310505 WQQXAWDFKNFVOZ-UVBPAJJASA-N 583.560 7.280 5 40 KKBB c1cc2ccc3cc4c5cc6ccc7ccc8ccc9ccc%10cc(c%11cc%12ccc%13ccc1c1c2c3c(c4%11)c%12c%131)c5c1c6c7c8c9c%101 103666250 QOPWDVCEMZLGPK-UHFFFAOYSA-N 596.688 13.896 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(N(CC)CC)cc4C)nc3cc2C)cc1[N+](=O)[O-] 105313980 VOUXYZJOTRTRMP-UHFFFAOYSA-N 561.668 5.317 5 40 KKBB Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2)cc1C 106727525 RJQUJLHCHRVWQZ-OYKKKHCWSA-N 517.563 5.466 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc(Br)cc1 150385990 OTTPINQHVAVVDV-WSDLNYQXSA-N 634.302 6.944 5 40 KKBB COc1cc([C@@H]2c3c(C)nn(-c4ccc(S(=O)(=O)c5ccc(C(C)C)cc5)cc4)c3N=C3C(O)=Nc4ccccc4N32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 150482773 XTPGAWNMURVFAB-LDLOPFEMSA-N 832.917 8.371 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 163227535 GGKSPCWZXQWQGS-ZPMAPHDVSA-N 680.580 6.577 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 214946812 YCEIOMYLKWLIFQ-OGLMXYFKSA-N 540.597 6.962 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225609599 SKQCQRFELGNHFO-SANMLTNESA-N 588.488 5.845 5 40 KKBB Cc1ccc(COc2ccc(Br)cc2[C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1 408575424 WEYBCLGGULBRDX-VWLOTQADSA-N 553.482 6.644 5 40 KKBB O=c1/c(=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408848601 XJEKIUPBPYINMU-MXJIGVOESA-N 873.510 8.168 5 40 KKBB Cc1cc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])cc1C 408917817 BNIBNCCAKMXECP-URFUVCHWSA-N 582.248 5.621 5 40 KKBB O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 408917959 DELZLAOSQSNHAW-CAZKKTPXSA-N 509.743 5.151 5 40 KKBB Cc1cc(Br)c(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc4ccccc24)C3=O)cc1C 408993059 BSJMDWZJNLHCPP-UHFFFAOYSA-N 566.411 7.825 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409013950 OAPDVRQPXZMMKP-SSDVNMTOSA-N 570.371 5.567 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)c2=O)=N1 409031130 GJZDDCNCGQOROA-UPWSPCOFSA-N 664.534 5.057 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409080636 FLLUQUDOOHQJER-IPAKXIGBSA-N 694.560 5.065 5 40 KKBB CCCN1C(=O)/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c2ccccc21 409120960 XJDHLSCTJUPFRY-NDENLUEZSA-N 666.253 6.680 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1Cl 409160343 XZFAIOBSDULVQN-WYMPLXKRSA-N 641.014 6.191 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)c1ccc(Br)cc1 409222145 AFCPSKZMEQVTFS-YDZHTSKRSA-N 553.390 5.856 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409250400 KZGRVYMPFVTYAX-UCQKPKSFSA-N 673.441 5.492 5 40 KKBB Oc1c(-c2c3ccccc3cc3ccccc23)cc2c(c1-c1c(O)c(-c3c4ccccc4cc4ccccc34)cc3c1CCCC3)CCCC2 575629819 YPHADLIUPBJHAW-UHFFFAOYSA-N 646.830 12.469 5 40 KKBB O=C(Nc1ccc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)c(C(=O)O)c2)cc1C(=O)O)c1cccc([N+](=O)[O-])c1 3142731 WBQVJQCNVCKIKM-UHFFFAOYSA-N 570.470 5.071 5 40 KKBB COc1ccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nnc2-c2cc(Cl)ccc2OC)cc1Cl 3328138 WXDVTCDLFRNDOA-UHFFFAOYSA-N 545.404 6.142 5 40 KKBB COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 3419043 LASZJFFDLRGCSV-UHFFFAOYSA-N 527.558 6.095 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)cc1 97995605 JAZMCQXISXSEPK-UHFFFAOYSA-N 536.584 6.220 5 40 KKBB C[C@@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100221363 BRVCJWWDYCPWBG-AOXVDABRSA-N 559.132 5.776 5 40 KKBB O=C(COC(=O)c1ccc(Oc2ccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1 100376610 JYXUCCWCHJJCRX-UHFFFAOYSA-N 584.493 5.375 5 40 KKBB O=c1/c(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 100958384 RTWLAKSOYPEURA-NULZLWRNSA-N 599.590 6.506 5 40 KKBB COC(=O)c1cc(NC(=O)c2cc(Sc3ccccc3[N+](=O)[O-])c3ccccc3c2O)cc(C(=O)OC)c1 100988476 BWQFDDFXQOUUDJ-UHFFFAOYSA-N 532.530 5.430 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 102370337 OSKNEXCNOWJMKO-XMFJDCMESA-N 599.643 6.364 5 40 KKBB O=C1[C@@H]2[C@@H](ON(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 102744265 XROAXZMEDVJKCF-PCCBWWKXSA-N 502.285 5.092 5 40 KKBB O=C(Nc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1)c1cccc(I)c1 103771849 XRRUKOPJGLVHQX-UHFFFAOYSA-N 576.437 8.579 5 40 KKBB O=C(NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105308135 CNYHNIRMOOZRNV-UHFFFAOYSA-N 529.578 5.320 5 40 KKBB O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105311136 WJSBQROMXBUZBX-UHFFFAOYSA-N 541.177 5.212 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)cc2)cc1[N+](=O)[O-] 105318569 ADBGOVZNPDGOLI-UHFFFAOYSA-N 595.550 5.142 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc(-c2cccc(Cl)c2Cl)o1 105538377 LCMJBTDPYAHXIL-UHFFFAOYSA-N 539.828 5.652 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 150449910 WHUILLXMHGBPRO-QKDODKLFSA-N 650.463 5.176 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccccc1 214898507 RWKUBKVYEZIQCC-OEAKJJBVSA-N 569.433 6.572 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225606559 QQPJABHQGUMODF-HKBQPEDESA-N 665.168 5.147 5 40 KKBB C/C(=C\c1cc(Br)cc(Br)c1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] 408533546 KAMCPJOXTZMZDA-LCAICKDSSA-N 512.110 5.376 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)cc1 408571034 MYDHASTYYUJTGE-XMMPIXPASA-N 573.444 6.175 5 40 KKBB CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 408639737 YLFYBEWUQZCYFK-QHCPKHFHSA-N 574.586 5.513 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 408670290 ZFTQRJHLYQLRSB-UHFFFAOYSA-N 541.944 5.340 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408869574 SLAWLPDGFGVNPR-UUYOSTAYSA-N 663.421 5.601 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 408978722 AVLQEFKAVXQPSY-QDNAUZDWSA-N 658.914 5.391 5 40 KKBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(c4ccc(Cl)cc4)C(=O)[C@@]3(c3ccc(Cl)cc3)C(c3ccccc3)=C2c2ccccc2)cc1[N+](=O)[O-] 409053412 CLCPRJQAKPHVNG-CTGRGZOBSA-N 729.572 8.016 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1 409093203 YBEGNIKXLSZXNU-NNAGEYCMSA-N 592.633 5.051 5 40 KKBB COCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409136783 ZMOCHXQDBQJNGJ-LICLKQGHSA-N 572.231 5.382 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl 409167885 JTMMYSUJJNVSRK-VYYCAZPPSA-N 697.122 5.906 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409192399 CHQSHDLXXRKANV-LNXFQTKESA-N 728.039 6.603 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(Cl)cc1 409192430 XJTVXHIAUMLFCG-GOQPZEPVSA-N 783.719 7.580 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1 409274512 OUQFRBAJNXJKIQ-MTJSOVHGSA-N 504.524 5.074 5 40 KKBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12 409323081 NACBWHXODLSYJJ-KTKRTIGZSA-N 524.327 5.470 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Br)cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409369216 ICONJSGCOHZDQM-GKTKDVHMSA-N 804.457 5.970 5 40 KKBB O=c1oc(-c2ccccc2[N+](=O)[O-])nc2ccc(Cc3ccc4nc(-c5ccccc5[N+](=O)[O-])oc(=O)c4c3)cc12 3144338 UUEAKPJVXNDKGE-UHFFFAOYSA-N 548.467 5.431 5 40 KKBB O=c1c2c3c(sc2nc2c4ccccc4c(SC(c4ccccc4)c4ccccc4)nn12)CCCCC3 16711646 JJGQIZBGIQAUFB-UHFFFAOYSA-N 519.695 7.608 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 57316019 UESSXZRPVWZIHS-XYOKQWHBSA-N 503.873 7.107 5 40 KKBB CC12C3=CC=C1C=CC=C1C=CC(=CC=C3)C12CCCCCCC12C3=CC=C1C=CC=C1C=CC(=CC=C3)C12C 68568395 VAHUBMLZUAXGRK-UHFFFAOYSA-N 518.744 10.170 5 40 KKBB COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@H]3c2ccc(OC)cc2)cc1 97971206 PNLLOSCXBMKJBK-LMGMBNTFSA-N 582.657 5.885 5 40 KKBB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)ccc1OCc1cccc(Cl)c1 100912646 SRBGMCBGEUXJBO-CQOQZXRMSA-N 610.069 5.381 5 40 KKBB O=[N+]([O-])c1cccc(C2=CSC3=NC4=C(CCC/C4=C\c4ccc(OC(F)F)cc4)[C@H](c4ccc(OC(F)F)cc4)N23)c1 102424330 YIUGADJIEZPSNK-HACONHBVSA-N 609.601 8.777 5 40 KKBB CCOC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(C=CC(c3ccc(Br)cc3)=NN2c2ccccc2)S1 102659822 XZJYARVSIANNGT-SANMLTNESA-N 578.448 5.922 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl 150385636 RTKIDHOTPMEWRO-FOKLQQMPSA-N 685.323 7.720 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(F)cc1 150394870 WUJBULGMVBLDLW-FWESEHMYSA-N 625.634 5.252 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 150396611 ZVTOJHCRDHICKW-UHFFFAOYSA-N 632.496 6.282 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccccc5Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1 163253285 LAJYIJVQBQREHA-FVUNBJOLSA-N 632.654 5.936 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225194253 ZZAJVUORDXMTLF-LJAQVGFWSA-N 610.708 5.186 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260707344 BQJSGHKSGLHWTG-JOCHJYFZSA-N 631.151 5.011 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408557562 OQZYEFJSPBGORN-UHFFFAOYSA-N 535.294 5.307 5 40 KKBB Cc1ccc(COc2ccc([C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Br)cc1 408565009 HCAQSLFQIVOPEH-IWEUKVTLSA-N 548.437 5.391 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCC)cc1 408576984 YGXCIPAAETZSCM-FQEVSTJZSA-N 507.410 5.246 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 408577019 YJJPHUWSGMQOBR-VWLOTQADSA-N 583.508 6.734 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408605681 GKHVEEOHJOMYAM-UHFFFAOYSA-N 542.264 6.697 5 40 KKBB O=C(O)/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)Sc1nnc(-c2ccc(Cl)cc2)o1 408633677 LMLAYPVXFTZCJH-ZDLGFXPLSA-N 504.307 6.429 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 408720045 JMRZVKHSYCQBJE-SKGAXEKPSA-N 584.220 5.013 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c2=O)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732540 WMXOQYGSHZJNGA-JYGBCZLESA-N 749.842 6.771 5 40 KKBB Cc1c(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc2n1Cc1ccccc1F 408918602 MMTIYTTZQIMNDE-AFUMVMLFSA-N 501.539 6.282 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408987448 OSZYCTWLPRUBJN-SZYVSPPHSA-N 787.483 6.218 5 40 KKBB CCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n21 409014701 NTFRBJIBNKCXRA-OUXZYKPHSA-N 592.717 5.520 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409030967 FXUGZMBULLIWGK-KAEGSSFASA-N 727.033 6.490 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409031259 ACGVMEIVRWZNBP-DJTCXORXSA-N 674.570 5.052 5 40 KKBB Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 409036007 KWCCOOPPROATKY-UCQKPKSFSA-N 648.329 7.123 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccc(OCc3ccccc3)c2)N1Cc1ccccc1 409117900 MBDPZPGXWKBSMZ-UUWRZZSWSA-N 555.634 7.535 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1 409143093 UNSMUTCKFTWCRW-ZNRKBWGRSA-N 667.744 5.541 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)cc2)cc1 409178233 JWXBRDMYEYFVMY-UHFFFAOYSA-N 556.483 5.863 5 40 KKBB Cc1cccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 409189860 UKFSRQPNKBIVPY-JAIQZWGSSA-N 586.192 5.992 5 40 KKBB COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccccc5)cc([N+](=O)[O-])c4)cc3N2)cc1OC 999470 QSURYZRNYGKARA-SQJMNOBHSA-N 583.523 6.513 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1 16611173 RFAZPXMURGRVJC-CQSZACIVSA-N 508.987 6.697 5 40 KKBB C[C@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 33354423 XKNBPADBCYBFAX-INIZCTEOSA-N 558.523 6.866 5 40 KKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@H]3C2=NN(c2nc(-c4ccc(-c5ccccc5)cc4)cs2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 97984078 NRERLGVASAWBHW-MNRRPXAHSA-N 613.699 9.095 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc5c(c3)OCO5)N4)cc([N+](=O)[O-])c2)cc1 97999847 HUUKEYFCAKUFAJ-ATIYNZHBSA-N 611.533 6.624 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3c4ccccc4cc4ccccc34)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102739777 JWHXOMINVDSPGA-ULNSLHSMSA-N 539.418 7.351 5 40 KKBB O=C(CN(c1ccc(SC(F)F)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCCCC1 102996125 XERLEMOXNVHMPY-UHFFFAOYSA-N 534.006 5.161 5 40 KKBB CCc1ccc(C(c2c(C)nn(-c3ccccc3)c2O)c2c(C)nn(-c3ccccc3)c2O)cc1[N+](=O)[O-] 108423170 HCOAGXZBQIDWPZ-UHFFFAOYSA-N 509.566 5.737 5 40 KKBB Cc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1Br 197746546 YYNLVZCYNOTWAS-KEQCBNTKSA-N 558.457 5.298 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 205908213 LHULNSULPCLNJU-RGVLZGJSSA-N 551.499 5.073 5 40 KKBB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222756339 PUOMNHLOXBHBBC-KRWDZBQOSA-N 657.960 5.231 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223379688 RSTBWDRPYBNXTO-MHZLTWQESA-N 645.178 5.483 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccc(F)c3)cc2)cc1 224781902 LPPHSOKSHIQWHC-URLMMPGGSA-N 567.671 7.248 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C 225167402 LGGJEPSXANOWBW-RRPNLBNLSA-N 526.622 5.615 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225288225 XJHRZYGQQYUBHE-LJAQVGFWSA-N 559.663 5.380 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260941447 CVTBZTFOKMWHJU-PGUFJCEWSA-N 733.287 6.768 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 261011360 GUKLVAVXEJYHHK-JGCGQSQUSA-N 642.778 5.653 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 408577539 ZRZRJWVIHQGGBA-DEOSSOPVSA-N 603.926 6.998 5 40 KKBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)c1 408643338 PFAUIZYVXPYETA-UHFFFAOYSA-N 774.998 6.190 5 40 KKBB Cc1ccc(NC(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 408675526 BEQQEGCNJJXCJK-NPYONTDKSA-N 587.588 5.095 5 40 KKBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 408718103 JMWRKENNIJNZBH-KGIZCEIGSA-N 579.308 5.499 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733954 SZPHCOSUDVJLEL-KFOJKGMOSA-N 635.698 5.854 5 40 KKBB COc1cc(C(=O)Oc2ccc(Br)cc2/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)cc(OC)c1OC 408844794 PKHOODLSXJDEMN-GIJQJNRQSA-N 673.881 6.815 5 40 KKBB O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 408919451 YBNCHQXIWLSUFG-ZRDDSIGQSA-N 509.743 5.151 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409048349 OAILWHMGOKISMZ-XSTKMXAKSA-N 674.688 5.203 5 40 KKBB CCOc1cccc(N2C(=O)c3cc(Br)ccc3N[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)c1 2747351 ARDXMOWYIXIIND-NRFANRHFSA-N 502.752 6.181 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 8384003 YCQPZSGPTQIPMX-YDZHTSKRSA-N 677.448 5.991 5 40 KKBB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8899218 ZTVWYTGUQVGUMP-UHFFFAOYSA-N 511.365 6.871 5 40 KKBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1 100361979 ZAWOVKSOKAYKLD-UHFFFAOYSA-N 594.159 5.788 5 40 KKBB Cc1oc(-c2ccccc2)nc1CN(Cc1nc(-c2ccccc2)oc1C)[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 102787215 VZWYOBMIHGPVQT-URLMMPGGSA-N 554.603 5.618 5 40 KKBB COc1ccccc1-n1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc2sc3c(c2c1=O)CCCC3 103082833 BADHWUFKHDNTCO-UHFFFAOYSA-N 590.605 5.992 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1F 106738907 ZBQFIBWIHCVIIN-QRVIBDJDSA-N 587.423 6.711 5 40 KKBB CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)c(C(=O)OCC)c1C 150391018 LDMYFXHIIZESRY-LJQANCHMSA-N 680.765 5.007 5 40 KKBB CCOc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 150509182 DWEMGLVFJVUKRY-PGUFJCEWSA-N 648.741 7.469 5 40 KKBB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OCc1c(F)cccc1Cl 215001872 OOFRQQFXAFJODV-FSJBWODESA-N 528.945 6.211 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 215098913 JQWVZRWWWZOGRP-SSDVNMTOSA-N 609.376 7.414 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224537463 IMWNSIUFOSRSTI-RUZDIDTESA-N 528.436 5.610 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224590739 OAFVTCCVBRMGPD-HKBQPEDESA-N 697.641 6.652 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 225003898 XWYFPOLMFUGRAQ-URLMMPGGSA-N 574.106 7.317 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225438963 FJOOFSAAAWPNRL-DHIUTWEWSA-N 645.178 5.135 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)c1 248148307 UJXJYYUZGWGZMW-HQMQMYHNSA-N 571.589 5.585 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N23)c1 253488028 VRNRUJWSUQUVEG-HXBWQCRLSA-N 599.643 6.158 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260904538 IYYVLWQDYHZUQL-UUWRZZSWSA-N 689.234 6.533 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)cc1C 408570392 LIPMOYNAFXDPPQ-RUZDIDTESA-N 543.476 7.188 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 408570865 MBPSFLWIGAMKAL-HSZRJFAPSA-N 549.867 7.225 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1ccc(Cl)cc1 408572016 QJTOEHBPPOUIPB-QHCPKHFHSA-N 577.863 6.820 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 408576584 XTGCFKXYPHVNTM-DEOSSOPVSA-N 528.993 6.066 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C(=O)O)n[nH]2)c1 408635296 ZZAXSDNCAWMXHY-MSXFZWOLSA-N 564.576 5.203 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408735685 WBYRYOCERFRHKP-FJNIOPPGSA-N 674.688 5.204 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 408767291 FNRSQYZDONAFJD-IZBTWGKQSA-N 766.433 5.714 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)S2)cc1 408772189 CBYDNAMMYWZNLU-PZDOZLBDSA-N 500.374 5.779 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1 408982973 KERSQFVCRDNCOK-DNQIBQKISA-N 628.888 5.382 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(SC)cc1 408993978 DZVDXDRHOMYIAH-HGGMLFSRSA-N 727.820 6.938 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1 408994847 HCUWJJUZTDKUAR-HGGMLFSRSA-N 711.752 6.225 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 408999412 KVQMNTZSKWLFLP-KMCFWPMWSA-N 661.692 5.072 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1 409091845 SKYOMMMYJAMWEA-JLHDDXNDSA-N 606.660 5.359 5 40 KKBB CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCC)=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 409164272 FWSJKCPIKHRHDL-GSASKQFNSA-N 679.751 6.210 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409176317 KFGKNZVGTSKAIF-BRJLIKDPSA-N 626.485 6.237 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc4c(c3)C(=O)N(c3ccc([N+](=O)[O-])cc3C)C4=O)cc2)cc1 409180506 YTVAQLAXRZRAFW-UHFFFAOYSA-N 578.533 5.271 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409189243 NRJYLBLUYJETAE-VEJJZHSVSA-N 518.909 5.610 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cccs1 409190011 UNTIISAKHFPHFQ-YOWYGEOISA-N 755.303 6.988 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409260793 WMEXNYVRZNWUSK-FOKLQQMPSA-N 695.438 6.130 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409269061 DLQLICSODBKVNO-VULFUBBASA-N 623.565 7.243 5 40 KKBB O=C(COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 2068064 PZOSVHHKQUKOFU-UHFFFAOYSA-N 525.473 5.462 5 40 KKBB CC[C@H](Sc1nc2ccccc2c2nc(-c3cccc([N+](=O)[O-])c3)nn12)C(=O)Nc1ccc2c(c1)OCO2 2969099 QTYBRMLIPCIKQZ-QFIPXVFZSA-N 528.550 5.091 5 40 KKBB Cc1cc(Br)c(OCc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)c(Br)c1 3267376 YHKSFBHBRHIPRV-UHFFFAOYSA-N 535.188 6.364 5 40 KKBB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 16384081 WWDNHBZCYPEPSQ-MSFWWKAZSA-N 516.937 5.931 5 40 KKBB O=C1/C(=C\Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2C(=O)N1c1cc(Cl)ccc1N1CCOCC1 96022038 AVZPXDJMQVMLQF-HKWRFOASSA-N 539.375 5.378 5 40 KKBB CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@]2(CCC(c3cc(C)ccc3C)=NN2c2ccccc2)S1 97951755 HEKFVSFGBWYDGC-NDEPHWFRSA-N 529.622 6.000 5 40 KKBB COc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 100397978 PUDKMHCGCZVGKQ-QHCPKHFHSA-N 610.575 5.394 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 101242258 VOSIDTGGCYSXFF-HKBOAZHASA-N 518.740 5.606 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=C(O)C1 102485830 LYSZPNSRNSPJSA-YTTGMZPUSA-N 547.611 7.890 5 40 KKBB COc1ccc([C@H]2[C@H](C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)CCC(=O)N2c2ccc(C)cc2)cc1OC 103121181 OHTMIZHAGDSHDG-YWEHKCAJSA-N 562.575 5.015 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112244240 RSXGHAWLGYGCTD-UHFFFAOYSA-N 572.430 5.673 5 40 KKBB CN(C(=O)c1ccccc1)[C@@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 195993231 PXOCRDZEEXVZQC-AFUPZKSLSA-N 556.622 5.253 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223450970 NRPWQTKGVXHFAT-GUZYMRFCSA-N 686.831 5.970 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223609142 JDZHFVHOCBKRQK-ZOYWYXQUSA-N 663.196 5.998 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224568382 GZSICAXCFBVMGH-VWLOTQADSA-N 574.461 5.455 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)o1 225638282 GVCDZKWCEHVJJJ-URLMMPGGSA-N 571.659 5.877 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 247297290 CWSVCPDOJGYHEP-YGGCMVMVSA-N 620.459 6.213 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260875286 ATXSXDVZZBTUDU-SSEXGKCCSA-N 675.635 6.065 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccccc1 408648335 WEXYTZQRBCCOAC-QKCPIRFBSA-N 652.101 5.282 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408773744 TURGEQVZDXUZDY-MXLMUYMQSA-N 775.565 6.455 5 40 KKBB Cc1ccc2c(Cl)c(C3=N/C(=C/c4cc(Br)ccc4OC(=O)c4sc5cc([N+](=O)[O-])ccc5c4Cl)C(=O)O3)sc2c1 408840754 ZYASJJHWAOACBW-VCHYOVAHSA-N 688.364 8.966 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)cc1OCC 408935196 MXXSFMRACNZEMG-FVMAXLJRSA-N 773.456 5.828 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408936345 HVVTVPBEMASALS-MRWVFDTMSA-N 736.641 6.234 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(C(=O)OCC)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409029731 ASUOHBUCMFXWDL-FWWOIACNSA-N 838.686 5.175 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c2=O)=N1 409037055 MTLVNBAZFQIAQI-UAMLYEQYSA-N 692.588 5.837 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC 409095831 DLSUONLIBDMFLP-JDKSNUEYSA-N 760.648 5.570 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409104113 DQZCFPBHXICZHI-OBDCIHEFSA-N 679.220 5.834 5 40 KKBB COc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc(Cl)cc4)cc3C2=O)c([N+](=O)[O-])c1 409177993 FRIZBGGXJJTWKI-MHZLTWQESA-N 570.941 5.838 5 40 KKBB Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl 409196349 UBDHYYALUQHZOA-YCNYHXFESA-N 526.017 7.390 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(F)c(Cl)c1 409217666 DZVXYNWRTPZCHI-DJKKODMXSA-N 536.324 5.976 5 40 KKBB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 409250496 MNJFTTFZHWGPLA-OYKKKHCWSA-N 533.562 5.166 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C 409255686 IJPGBCOJWNNAON-LQKURTRISA-N 603.653 6.054 5 40 KKBB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 409389034 GBUZENWZXAAQPD-UHFFFAOYSA-N 514.394 5.804 5 40 KKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(C)cc3)ccc12 2092075 LWUBMMKZXDMQSS-HHHXNRCGSA-N 557.624 5.067 5 40 KKBB biogenic Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)Nc4ccc([N+](=O)[O-])cc4C)cc3c2c1 5941660 QWQFMBDVRPGCHK-UHFFFAOYSA-N 596.599 5.621 5 40 KKBB O=C(Nc1cc(OCc2ccccc2)c(Cl)cc1Cl)c1sccc1Oc1ccc([N+](=O)[O-])cc1F 12960067 WPPVYMVBPNEULI-UHFFFAOYSA-N 533.364 7.726 5 40 KKBB CC[N+](CC)(CCCCS(=O)(=O)O)CCNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 13133191 KZZVKBLBJNDZQP-UHFFFAOYSA-O 519.624 5.406 5 40 KKBB CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]4C[C@H]([N+]5(C)CCCCC5)[C@H](OC(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)C[C@@H]1N1CCCCC1 19685784 BGSZAXLLHYERSY-OLDKZTQHSA-N 557.840 5.966 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cc2[N+](=O)[O-])CC1 57315755 CHNIZFNONRVQPU-UHFFFAOYSA-N 514.626 6.633 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)N1Cc1ccccc1 59651964 VEMDRSAMQABMHU-UUWRZZSWSA-N 600.631 7.443 5 40 KKBB C[C@@H](Nc1cc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100309987 HJNRGABMMPFDEW-AOXVDABRSA-N 569.684 5.031 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 100316621 ZSBWFVANSWJGLF-OQRGYWNNSA-N 535.025 7.096 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 100367245 WQQHGRADRAJVNQ-QPJBPQEWSA-N 606.125 5.820 5 40 KKBB COc1cccc(/C=C2\CCCC3=C2N=C2SC=C(c4ccc([N+](=O)[O-])cc4)N2[C@H]3c2cccc(OC)c2)c1 100929455 MJTNRKHHUGICLV-VSNJZNDESA-N 537.641 7.592 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)CCC(=O)O)[C@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=C(O)C1 100981650 XLJKVWKZXCYRKP-MUUNZHRXSA-N 529.549 6.512 5 40 KKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1)Nc1ccc(Cl)cc1 101140489 NDGNTLGZKIFGPE-UHFFFAOYSA-N 530.940 6.433 5 40 KKBB COc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccc(Oc4ccccc4)c2)CC3)c([N+](=O)[O-])c1 103079598 ADLYPUIDXPFZJO-PTGBLXJZSA-N 601.615 7.226 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)C[C@@H](C(C)(C)C)C2 103082020 XFUTULXEMAAZEY-QAQBCRODSA-N 599.709 7.546 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1C(c1ccc(N(C)C)cc1)c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1O 103762236 GDQVJADSMZICLT-UHFFFAOYSA-N 569.578 5.149 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)o1 103781181 RFPFKJNGXXHQNO-LCQSEVKBSA-N 567.648 5.557 5 40 KKBB Cc1cc(/C=c2\sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1cccnc1 103790805 NWDUGPAACJNNSX-OBDCIHEFSA-N 559.651 5.029 5 40 KKBB CCc1ccc(C(=O)N2c3ccccc3[C@@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3)C[C@H]2C)cc1 105513420 YYXQXAHVKXATHR-PBBNMVCDSA-N 610.135 8.852 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 150353219 YWWYYPITDJESIH-UDKDVIIMSA-N 637.091 7.437 5 40 KKBB CC(C)(c1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)cc1 150387323 AGAAAQWHEGIRFH-UHFFFAOYSA-N 630.609 5.907 5 40 KKBB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223900778 KZNHHRLMEWWRQF-GOSISDBHSA-N 671.987 5.621 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 224715745 WHLWIYRUTBUBAX-XZWHSSHBSA-N 547.640 7.058 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260945853 TUVFYXBZXVDEHL-HSZRJFAPSA-N 701.640 5.736 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260962436 YJVXMZUQERLADI-OAQYLSRUSA-N 665.596 5.603 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 408570050 YGBLYMLQUINLQJ-GVPYKBAUSA-N 516.356 5.280 5 40 KKBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408641710 LEANJAFSACKUTG-LBPRGKRZSA-N 595.222 6.442 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Br)cc1 408680813 GWTNPWFKTZVRBM-ZBWOKKAISA-N 730.997 6.044 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408685991 QUFVGNDGIWQBAE-UHFFFAOYSA-N 504.713 5.409 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733949 SUKQEBJBYMTRST-OKMHPQNISA-N 887.490 7.063 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408736168 JGORRHJVGQJHTB-SJXDCSIJSA-N 676.589 6.171 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408769477 MSLUXRFFHZWNON-QVPVGFNESA-N 725.530 5.187 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccs1 408842026 NIUMIJCKPXVXQZ-MZANGIHLSA-N 601.637 5.304 5 40 KKBB O=C1S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1Cc1ccc(Cl)cc1 408875168 GOESDBWMVGEEDU-NHDPSOOVSA-N 732.721 7.273 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409090999 SDHSWKOSEKBBBL-PSAPEEBNSA-N 657.148 6.087 5 40 KKBB Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 409183921 VBMWSSPHWVLLCF-SSEXGKCCSA-N 502.526 6.899 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409366712 VGWPUNNSPNNRNT-LIUIRDFASA-N 890.321 7.110 5 40 KKBB COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)c(OC)c1 1740239 YHUBCSGEGOHQRJ-SSEXGKCCSA-N 585.624 6.901 5 40 KKBB O=C(Nc1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 2735556 XEDXPMHLSVBZTA-UHFFFAOYSA-N 528.308 6.099 5 40 KKBB Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)cc12 3311753 UNYMPZVKFINECE-DEOSSOPVSA-N 546.992 6.494 5 40 KKBB O=[N+]([O-])c1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)s2)ccc1Cl 3328321 FHUXLNMAIXPPGU-UHFFFAOYSA-N 540.808 5.560 5 40 KKBB COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13095577 YCRGLPSFBJBFPQ-UHFFFAOYSA-N 505.474 5.984 5 40 KKBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccccc2F)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 73354648 AKZYHZVLRBBJSL-UHFFFAOYSA-N 531.500 5.154 5 40 KKBB Cc1ccc(/N=c2\oc3ccc4ccccc4c3cc2C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)c(C)s2)cc1 97959090 FZPSZJFJLWOMRB-WASYMBJWSA-N 593.708 9.603 5 40 KKBB CC(C)c1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 97979608 VVXVKXPGFALADD-OQKWZONESA-N 535.600 6.939 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 100845027 PQCZGDMCCXFVTA-KEZOAJOQSA-N 534.355 5.300 5 40 KKBB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(Cl)cc1 103053795 DORGNQRCEQPMOL-UHFFFAOYSA-N 562.353 5.432 5 40 KKBB Cc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103551356 UBLRONAYKDNJFH-JCUDBWTNSA-N 555.590 5.759 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n31)c1ccccc1CC2 104654982 CAJOWAQSOPYBJW-DDIUQFJASA-N 575.646 5.804 5 40 KKBB COc1c(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc2ccccc2c1Br 105303729 YBOJNWJWAGUITQ-UHFFFAOYSA-N 612.550 5.346 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105311245 ZRJRSXWNQVWTQU-UHFFFAOYSA-N 537.001 5.569 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5cc([N+](=O)[O-])c(N6CC6)c([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@@]21C 118928451 XQUAXGTVSUXCHW-NBTRBPDBSA-N 621.819 8.890 5 40 KKBB O=C(Oc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1)c1cccc([N+](=O)[O-])c1 163243850 NWNJCZVVBMNCON-NBQDTTAVSA-N 664.537 6.209 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214360508 LUJZWZPWUJMATE-FSJBWODESA-N 562.497 7.180 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222595628 UUWAAXHDQWEWTL-JGCGQSQUSA-N 663.196 5.856 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 222623514 RSUCPJDXZZXOLA-SANMLTNESA-N 554.043 5.048 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223371026 LNOWILHVDUCJTH-SSEXGKCCSA-N 635.142 5.220 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224497641 YPUUFGUJFUODDP-MUUNZHRXSA-N 647.581 5.963 5 40 KKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224839150 UIJHUYHTNJIVRS-UHFFFAOYSA-N 517.991 5.028 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 225274566 NSEMHQUHMIWROQ-DHUJRADRSA-N 668.816 6.188 5 40 KKBB O=C1Oc2ccc3ccccc3c2C2=C[C@H](c3ccccc3)[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]3[C@H]12 408730740 HLWNVNFYYGWMFE-TZQPNWGHSA-N 550.954 5.923 5 40 KKBB CCOc1cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408819085 YDCFTQZIBPSTEF-ACIZCOMUSA-N 572.707 7.627 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 408822198 AQKSQVCGDCHDGA-QHZSLAKNSA-N 717.425 6.663 5 40 KKBB O=C1S/C(=C/c2ccccc2OCc2ccc(I)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917944 CZUMVKZDHXMOAP-LPYMAVHISA-N 572.380 6.015 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408989942 VROCBJKOOQCVTR-WXKAHTKJSA-N 693.734 5.486 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 408992931 UDVOQSOCJOFLEQ-PEPUGYCWSA-N 678.679 5.553 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409038314 FFIBSWNPGTYTBJ-FIXXDFOUSA-N 752.640 5.852 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409042744 XPHFSHNGKWXDLK-IVRZUQNJSA-N 801.068 5.652 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409107794 QQASJGYNUFQQQE-FOQAXWDGSA-N 692.794 5.761 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(I)cc2C(C)C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409137014 UNSZBBGMWPSGQS-QHCPKHFHSA-N 650.543 5.792 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl 409159745 WXEIELYETSPDJU-YDZHTSKRSA-N 618.451 6.794 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(F)cc1 409191124 SSVSYXXQIWKZPH-GOQPZEPVSA-N 767.264 7.066 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(F)c(F)c1F 409270778 APGOMQWCQGFHTA-DJKKODMXSA-N 597.449 6.498 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409274601 QEQWSBNFVLXEAA-ZVHZXABRSA-N 556.556 5.619 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccc(I)cc1 409339066 DSFWOFLWMKEVJK-OEAKJJBVSA-N 564.404 6.273 5 40 KKBB COc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)cc1 1839710 UXPRFHAXGYGHNE-MHZLTWQESA-N 544.541 6.444 5 40 KKBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)cc1OC 2245098 OBEUPAPSKBCOMD-UHFFFAOYSA-N 525.996 5.256 5 40 KKBB CCOCCCn1cc(OC(=O)c2ccc(C)cc2)c2c1nc(-c1ccc(C)cc1)n1c3ccccc3nc21 2453476 SSISHMAEZOOOOC-UHFFFAOYSA-N 518.617 6.767 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)o1 3764367 YCBQCTFJKVZHSO-ODCIPOBUSA-N 514.899 5.482 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 8397303 BYVPTNXUGUHMAZ-UHFFFAOYSA-N 540.683 5.992 5 40 KKBB COc1cc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc(OC)c1OC 10120237 PVQUHDIJUYACDR-UHFFFAOYSA-N 518.526 5.281 5 40 KKBB CN1CCN(c2ccc(-n3c(/C=C/c4ccc(Cl)cc4)nc4cc5ccccc5cc4c3=O)cc2)CC1 16189129 PIZLVBJCPPYHQJ-OVCLIPMQSA-N 507.037 6.115 5 40 KKBB CC(C)(C)[C@H]1C/C(=C/c2ccc3c(c2)OCO3)c2nc3ccccc3c(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2C1 97979862 NNZSXIZTSBSIJL-OCBOALCKSA-N 628.081 7.470 5 40 KKBB CCOc1ccc(Oc2cc(Oc3ccc(NC(=O)CSc4nc5c(c(C(F)(F)F)n4)CCc4ccccc4-5)cc3)cc([N+](=O)[O-])c2)cc1 98000561 CSOLPPKFUUZIBZ-UHFFFAOYSA-N 688.684 8.883 5 40 KKBB CCOC(=O)C1CCN(CCCNc2cc3oc4ccc(C)cc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)CC1 101032248 OACQXLCYPBXLMM-UHFFFAOYSA-N 539.632 5.326 5 40 KKBB O=C(c1ccc(Br)cc1)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccc(Cl)cc3N21 101064425 PVQXMHMJFXHCEH-CAUSLRQDSA-N 578.806 5.283 5 40 KKBB COc1ccc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc([N+](=O)[O-])cc2Cl)cc1 102476331 DEMSRUFOWHJLDJ-NYYWCZLTSA-N 559.747 5.731 5 40 KKBB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H](C[N+](=O)[O-])c1ccccc1 102675570 VAMMHMBTLSBKCE-DGMPMNQPSA-N 507.652 8.152 5 40 KKBB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)c(C)n1C[C@@H]1CCCO1 103060285 FEEBVLDXOPRFJZ-MHZLTWQESA-N 559.663 5.691 5 40 KKBB Cc1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)C[C@H](C(C)(C)C)C3)c([N+](=O)[O-])cc1C 103081847 LZPANSKBHSXCDT-DYEBDLIZSA-N 583.710 7.766 5 40 KKBB Cc1ccc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)oc2c1 105312358 ZLOPAYGVBZWXBU-UHFFFAOYSA-N 550.040 6.482 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224898048 QKBKNYCBDXTPKQ-IBGZPJMESA-N 686.014 6.011 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 225285072 JGPCNBNOAVDCFH-SVBPBHIXSA-N 543.605 5.320 5 40 KKBB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 225676928 PRPWIDVFMKSUFJ-VSGBNLITSA-N 573.631 5.268 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 260958732 XAWUQJYEMPGJRQ-MGBGTMOVSA-N 642.778 5.511 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(F)cc1)[C@@H]1CCCN12 408563883 BJGMEQJJUBCYIQ-UQBYDPJISA-N 552.400 5.222 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 408571103 NNDTXLWDSYBYHF-LJAQVGFWSA-N 619.541 7.579 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408684461 NKKHFGPNHGRZCJ-SNINSWTHSA-N 658.536 6.252 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408685036 OJXIDCOTHCGRID-UHFFFAOYSA-N 734.952 6.638 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cccs1 408782328 HBNZXRBOLGNKIO-RWTNITNYSA-N 719.433 5.872 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408928572 CQHQLSNKKQZIRG-SRZZPIQSSA-N 617.250 5.800 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 408931572 NGUXXDHNHXNBJX-QRVIBDJDSA-N 582.432 5.920 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5cccc([N+](=O)[O-])c5)c(I)c4)c(=O)n32)cc1OCC 408933165 IAIWPYJDAPJPPK-FVMAXLJRSA-N 867.456 5.512 5 40 KKBB COCCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC(C)C 409010242 BRDXZENFOAJCRH-FATJQOLTSA-N 592.717 5.518 5 40 KKBB COc1ccc(N(CC(=O)NCCSCc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 409029144 XXZQOFWGVOAUIE-UHFFFAOYSA-N 614.529 5.164 5 40 KKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 409150134 AJVUMXNZXOHGHC-OEAKJJBVSA-N 503.536 5.157 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)cc1 409174747 UODWCSGBRHJMEF-LPYMAVHISA-N 507.524 5.101 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1 409181219 ZIUNVOJJGPSWPN-UHFFFAOYSA-N 614.950 5.316 5 40 KKBB c1ccc2c(c1)[C@@H]1C[C@@H]2[C@@]23c4c5c6c7c8c9c(c%10c%11c2c2c%12c4c4c%13c5c5c7c7c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c%25c%15c(c%15c9c%10c9c(c%24c%10c%22c(c2c%11c%109)c%21c%12c4c%20c%18c%13c5c%17%14)c%25%15)c87)[C@]%162[C@@H]4C[C@H](c5ccccc54)[C@]%23%192)[C@@]613 504656689 HQCAMIYWHBVPQE-NBKNUQMCSA-N 952.986 19.427 5 40 KKBB in-vitro O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 1411690 GJCITKYVAPKIMU-IFRROFPPSA-N 563.769 6.236 5 40 KKBB O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(Oc4ccc(-c5nnc(-c6ccc([N+](=O)[O-])cc6)o5)cc4)cc3)o2)cc1 3142750 QRZIFHKERFMZKQ-UHFFFAOYSA-N 548.471 6.729 5 40 KKBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 6161496 FSJISICWPXHDPB-UHFFFAOYSA-N 597.509 6.927 5 40 KKBB O=[N+]([O-])c1ccc(N2CCC(c3ccccc3)CC2)c([C@H](Nc2ccccn2)n2nnc3ccccc32)c1 59488695 RUBGHPIEOJFACI-GDLZYMKVSA-N 505.582 5.778 5 40 KKBB CCOC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 97982524 NXFUMPUWQYATNX-UHFFFAOYSA-N 553.622 5.199 5 40 KKBB Cc1cc(Cl)ccc1OCc1ccc(-c2nc3c4sc5nc(C(F)(F)F)cc(C)c5c4ncn3n2)o1 98046174 XQSNPSDGGLVKND-UHFFFAOYSA-N 529.931 7.015 5 40 KKBB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 100141809 SZAXMSQALCDUGZ-UHFFFAOYSA-N 528.483 7.949 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 103546618 PSQFWVFXXVDHGV-GQPDOWDHSA-N 541.563 5.451 5 40 KKBB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1 104084768 GADQESMWEIWCQT-UHFFFAOYSA-N 579.034 5.464 5 40 KKBB C[C@@H]1CC[C@@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@@]34C)[C@@H]2[C@@H]1C 104131421 ZVZUAPRVZSTVHG-HVFHEAPXSA-N 620.831 9.706 5 40 KKBB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3O)nc2c1 105310614 KPLSTXAPOLYOHN-UHFFFAOYSA-N 545.621 5.788 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 105498318 YWWFTOXKMVGHOS-ZSJKCPIUSA-N 621.027 5.060 5 40 KKBB O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)/C(=C\c2ccc(Cl)cc2)CCC1 105598899 ONWYJRIGTWYJEU-AJRQNQRPSA-N 574.489 6.698 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224172996 NDKRRVCILWFTMB-XIFFEERXSA-N 672.804 5.662 5 40 KKBB COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224782936 AHMZGKDZDOYZTH-KYJUHHDHSA-N 579.707 7.117 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Br 224940577 GXMVBUMRFXOGSZ-RPWUZVMVSA-N 535.423 6.498 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224958315 QYVUPGULYYWBCS-HHHXNRCGSA-N 659.205 5.383 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 225231572 SNNSDIIANATLPI-UIOOFZCWSA-N 529.578 5.012 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225527909 PCJDFMUSHXHTHN-UMSFTDKQSA-N 751.700 6.426 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225682030 FVDDCPBZDIBNNF-FQRUVTKNSA-N 714.068 6.789 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225752629 HRASRIGOMVGZQS-DHUJRADRSA-N 686.831 5.828 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 226692314 IUOCEGXTSMACIT-KXANFNGZSA-N 602.646 6.784 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 229857124 YPPHDLHIAYXVKH-GYPIRZFJSA-N 576.008 6.230 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408559434 ZSUGICXHRBOQBX-UHFFFAOYSA-N 549.321 5.697 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 408569913 KGDRAEOIFWCWCU-RUZDIDTESA-N 508.575 5.721 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccc(Cl)cc1 408570608 LNMURRPDLSYWEH-HSZRJFAPSA-N 577.863 6.820 5 40 KKBB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 408720375 MIYKCTCLBDPUMK-FCCHYQJHSA-N 541.003 6.354 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OS(=O)(=O)c6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)cc1OC 408758211 WVWPFWJJJVBRIL-VSQRRKBNSA-N 681.748 5.012 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl 408841221 DGZREVCGDKQZTL-VXLYETTFSA-N 562.159 6.228 5 40 KKBB O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408849448 YROUEFTXUNRMCS-RQZCQDPDSA-N 674.337 8.657 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408933398 JHXOCDZDJIAYFY-KSEXSDGBSA-N 616.421 5.759 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 408997143 RRECZVUMDGIYMN-JOHYPREOSA-N 742.673 6.907 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 409086063 UMXHASSDNILHCO-SAGCDJCOSA-N 711.594 6.132 5 40 KKBB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409091357 PQQWJRUZZJMGRM-STZFKDTASA-N 530.444 5.669 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409134871 OPBLKYPPSITPHO-RGVLZGJSSA-N 537.388 5.018 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)c1 409158709 YIZJRFYPEVRCIN-FMCGGJTJSA-N 599.668 5.068 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])c(OCC)c3)C2=O)ccc1Cl 409164624 LDNCCFXZOQGHMQ-LQKURTRISA-N 668.124 6.858 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1 409328917 AIAZKOSNSJHFHR-MFKUBSTISA-N 531.590 5.972 5 40 KKBB COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1Cl 1847541 JJLJUXQIWBDWOB-LJAQVGFWSA-N 590.043 7.546 5 40 KKBB COc1ccccc1-n1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2cc([N+](=O)[O-])ccc21 12565913 CFWNPEFLMDXFBX-UHFFFAOYSA-N 513.919 5.235 5 40 KKBB Cc1ccccc1[C@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1 22429831 JQBIASMQWTWUCW-MUUNZHRXSA-N 515.591 5.004 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 33358593 AOULBZNGHCVXIG-GMAHTHKFSA-N 671.257 8.566 5 40 KKBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ncccc2o1 59331554 QYAVOUFKEFWLDA-UHFFFAOYSA-N 516.583 5.224 5 40 KKBB COc1ccc([C@@H]2N(c3ccc(F)c([N+](=O)[O-])c3)C(=O)N3[C@H](c4ccc(OC)cc4)N(c4ccc(F)c([N+](=O)[O-])c4)C(=O)N23)cc1 82178349 GLCKNHHVKAHVQM-VSGBNLITSA-N 632.536 6.295 5 40 KKBB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 97945453 FTZWKYSVZPMXRJ-UHFFFAOYSA-N 527.364 6.107 5 40 KKBB COc1ccc(CCn2c(-c3ccc(Cl)cc3Cl)nc3oc4ccccc4c(=O)c3c2=O)cc1OC 97998526 VSVPYTVYYVOQAZ-UHFFFAOYSA-N 523.372 5.737 5 40 KKBB Cc1ccc(NC(=O)[C@@H]2C(=O)C[C@](C)(O)[C@@H](C(=O)Nc3ccc(C)cc3C)[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 100239267 IPNOEJKGVICOJE-WIXZECKYSA-N 543.620 5.146 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 100640482 WZYLGUJNLFJJGP-UHFFFAOYSA-N 526.954 5.850 5 40 KKBB COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 100640543 UYLSEPLMPOXJFY-UHFFFAOYSA-N 528.926 5.125 5 40 KKBB O=[N+]([O-])c1ccc(Nc2ccccc2OCOc2ccccc2Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 102101603 FABMVQCKAKZQNV-UHFFFAOYSA-N 562.451 6.222 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N(C)C(c1ccc(F)cc1)=N2 102940945 YLYGPRGXERVGBN-RRHRGVEJSA-N 559.542 5.572 5 40 KKBB O=[N+]([O-])c1ccc(/C=C2\CCC[C@H]3C2=NN(c2nc(-c4ccc(-c5ccccc5)cc4)cs2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 102971337 NRERLGVASAWBHW-QWVFMEFESA-N 613.699 9.095 5 40 KKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105311968 UKDRYQQEPBZAPG-UHFFFAOYSA-N 531.663 6.297 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223601539 DPXBQMQUNKNNMB-PMERELPUSA-N 669.587 5.873 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 224725284 JHORIGNZPAXXEQ-XZWHSSHBSA-N 548.624 7.528 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225288738 AIIKJRLLUNQNSD-WOJBJXKFSA-N 621.543 5.429 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225702297 ZTIKQQHQYXFSTI-NRFANRHFSA-N 710.047 5.713 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408565088 HQVREXIWAAZWFI-BQGAEBSMSA-N 633.326 6.398 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 408566328 FIULLBUQYHCAAU-DEOSSOPVSA-N 603.926 6.998 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(C)c(C)c3)cc2Cl)cc1 408567087 GJOSVBNGPLKYEO-RUZDIDTESA-N 557.503 7.497 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1 408642260 MNNIMUPDMAYRLN-SEHWEYEPSA-N 762.169 6.094 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Oc4cccc5ccccc45)cc3)C2)c1 408653704 FLZNCALLGCVDGT-HXUWFJFHSA-N 555.543 5.084 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408689468 YGESXUILFXUMQT-TUSFPTNYSA-N 642.081 5.738 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408830756 NOGJCWQWGQYPAL-XDYZZPCYSA-N 795.148 6.969 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408920614 KEZCPSZHXXKJSB-YZSQISJMSA-N 567.545 6.594 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408940961 OWYIQJPMZSAQGV-VPHSIRQSSA-N 771.484 6.598 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 408986862 NLSORQQKYHCPTN-LLXISZFLSA-N 682.154 6.085 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)cc1 409040406 UCYZGVLSCZLZJK-CRCYZHLCSA-N 652.523 5.516 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)c2=O)=N1 409048243 VVBGETGCGMWUNL-ZJTZAHLKSA-N 664.534 5.057 5 40 KKBB COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409052004 FTBQUFZCGQDCGG-XKZIYDEJSA-N 541.379 6.186 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409079524 BPBJEGBMWQZPFM-ITIZVALFSA-N 658.914 5.391 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409170710 XBPBSQGGLANYPC-MSXFZWOLSA-N 608.654 5.018 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409271352 BSIAOPNDEJBZNG-FOKLQQMPSA-N 592.935 6.987 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(I)cc1 409332888 SCGBVNXDKJISTP-YBFXNURJSA-N 575.340 5.134 5 40 KKBB CCOc1c(I)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1 409366023 XMIPOYXQDNNTRV-UHFFFAOYSA-N 518.307 5.429 5 40 KKBB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 2622498 CFQZRNNQLFNHAP-UHFFFAOYSA-N 504.553 5.290 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc(I)c1OCc1ccc(Cl)cc1 8431924 LQJBEXOGOJJWMV-MTJSOVHGSA-N 604.784 6.175 5 40 KKBB CCN(CC)[P@@]1(=Nc2cccc([N+](=O)[O-])c2)c2cc(C(=O)OC)sc2C=C(c2ccccc2)N1C 12560191 AAJDBYQOVDDVTE-UUWRZZSWSA-N 510.556 6.216 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105318227 JEXROSIQXXMEAL-UHFFFAOYSA-N 579.126 5.297 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)sc2c1CCCCC2 150390258 KKJOAKZMDWEKJE-UHFFFAOYSA-N 648.767 5.403 5 40 KKBB O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@]3(S2)c2ccccc2C(C2=CC=C(Br)CC2)=NN3c2ccccc2)cc1 150425649 GIAUJCPYNGTSAZ-XIFFEERXSA-N 634.559 8.544 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n31)c1ccccc1CC2 163192896 ZFWNXJKZOAJWGI-UHAPOFRNSA-N 680.580 6.577 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224745421 ORVNDANHCJLTHS-DEOSSOPVSA-N 671.216 5.935 5 40 KKBB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 224857647 ASZOGYYFRPBSDE-DQEYMECFSA-N 502.552 5.444 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 229862242 HNXUXIGIRRUIAS-ALBQUZEBSA-N 547.592 5.512 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccccc1Cl)[C@]21C(=O)Nc2ccccc21 248336079 NWWPPZXHZYEGEJ-YUAOJYLXSA-N 590.035 6.494 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261007733 GHAJETBHFRWTCH-UXCMTWRGSA-N 702.830 5.671 5 40 KKBB CCOc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 408527741 HHGBRMQROXYVJS-PGUFJCEWSA-N 648.741 7.469 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408556882 KNRUZJWOCPGUPF-UHFFFAOYSA-N 526.214 7.254 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408567757 REOKDBYHPCJROB-YIOXSFGVSA-N 607.288 5.865 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F 408571114 NRIKFYQKVXQHIF-DEOSSOPVSA-N 577.465 7.109 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 408571190 OCJIINSWZDJWDD-QHCPKHFHSA-N 588.415 6.075 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Cl)cc1Cl 408640939 BQVQNDPVXWZFIT-RAWLKHAVSA-N 626.452 6.034 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408689818 ZETSYJXNVYPSIE-UHFFFAOYSA-N 796.404 7.060 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1ccc(Br)cc1 408732519 WFECYPFAZPKODU-ZJTZAHLKSA-N 664.534 5.166 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408734171 FCCJOQZRBPHMHQ-USDTVRPUSA-N 617.680 5.072 5 40 KKBB O=C1c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(O)c1 408756858 KBRYGPUUKMTTLX-UHFFFAOYSA-N 504.296 5.760 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408837686 LGMJGOHVUWFKIL-KMCFWPMWSA-N 651.697 5.429 5 40 KKBB O=C(Oc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1)c1ccc([N+](=O)[O-])cc1 408849186 YZOZNIOTFQKPFI-DUCIMOQJSA-N 641.730 6.661 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OCC 408945312 NZLZBPMSWYANPQ-BCQKFBGJSA-N 785.613 5.306 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(C)s3)cc2s1 408986173 OIIMRBQDVNFICR-UHFFFAOYSA-N 519.655 5.396 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408996250 OZXYCGDMAGPBIU-IQPMGOHCSA-N 738.660 7.309 5 40 KKBB Cc1cccc(CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)c1 409240355 SUZDZYMSRFPQJJ-WSDLNYQXSA-N 512.349 5.882 5 40 KKBB Oc1c2cccc3c4c(O)cc5ccc6c(O)c7cc8cc9c(O)c%10cccc%11c%12c(O)cc%13ccc%14c(O)c%15cc%16cc1c1c(c23)c2c4c5c6c3c7c4c8c5c9c(c%10%11)c6c%12c%13c%14c7c%15c8c%16c1c(c32)c4c8c5c76 2382215879 AENUHHZGJZJFTN-UHFFFAOYSA-N 934.918 18.011 5 40 KKBB CC(C)(C)c1ccc([C@H]2CC3=Nc4ccccc4N(C(=O)CCC(=O)O)[C@H](c4cccc([N+](=O)[O-])c4)C3=C(O)C2)cc1 1314057 AYKRXZFQSULRAK-GHRAFVERSA-N 567.642 7.307 5 40 KKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OCc2ccccc2)cc1 2410321 UWOZNQGQTDUXBZ-UHFFFAOYSA-N 517.633 6.751 5 40 KKBB CC[N+](CC)(CCNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)Cc1ccc([N+](=O)[O-])cc1 3167365 HIUKTXJZGBCKMK-UHFFFAOYSA-N 518.574 6.847 5 40 KKBB COc1cc(NC(=O)c2nn3c(c2Br)N[C@H](c2ccc(Br)o2)C[C@H]3C(F)(F)F)cc([N+](=O)[O-])c1 8444710 JVXVKHYIEATKMT-AAEUAGOBSA-N 609.153 5.831 5 40 KKBB CC(C)(C)c1cc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(C(C)(C)C)c1 15944974 VQGYRPQDQQSVJC-UHFFFAOYSA-N 516.594 6.482 5 40 KKBB O=C(O)c1ccccc1C(=O)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 17466155 VTJTUNJMDOZWKD-YSOPSJPGSA-N 526.505 5.638 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59331568 JHNBZWSMOYNGAP-UHFFFAOYSA-N 521.002 5.519 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1Cl 100353022 NSPLDQUNGJNKGU-BRJLIKDPSA-N 561.019 6.235 5 40 KKBB O=[N+]([O-])c1cccc(C2=CSC3=NC4=C(CCC/C4=C\c4ccc(Cl)cc4)[C@@H](c4ccc(Cl)cc4)N23)c1 100820780 LOARZKMMQFPHFV-SNZUYFENSA-N 546.479 8.881 5 40 KKBB COc1ccc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1Cn1nc(C)c([N+](=O)[O-])c1C 101027601 NUVYHXHYJBQFGQ-AREMUKBSSA-N 501.587 6.336 5 40 KKBB O=[N+]([O-])c1cccc(C2=CSC3=NC4=C(CCC/C4=C\c4ccc(OC(F)F)cc4)[C@@H](c4ccc(OC(F)F)cc4)N23)c1 102424338 YIUGADJIEZPSNK-SNZUYFENSA-N 609.601 8.777 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccccc1[N+](=O)[O-])(N1CCOCC1)N(C1CC1)C(c1ccccc1F)=N2 102940555 UBZUUCOOMSDWRF-WBCKFURZSA-N 585.580 6.105 5 40 KKBB COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1cc(Cl)c([N+](=O)[O-])cc1C 105314594 MOASCCBAKQDBJH-UHFFFAOYSA-N 537.617 5.217 5 40 KKBB Cc1cccc(CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 106707585 AZVDHUNILLOKPE-QRVIBDJDSA-N 539.407 6.481 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Br)[C@@H]1[C@@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150389188 PQCIWCLZNVPWIH-MXLIJDCISA-N 797.613 10.462 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC 163278574 JUJZINRBCCYJGO-KXBQFYOSSA-N 661.736 5.832 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223199350 ZVOPJNQTIPEKQO-XIFFEERXSA-N 658.777 5.192 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224590686 OAFVTCCVBRMGPD-WJOKGBTCSA-N 697.641 6.652 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225012945 RSWMXVZSHOYZCX-HHHXNRCGSA-N 564.480 5.599 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247312150 ITRYXDCMWFQUAB-VRNNKUELSA-N 531.524 5.170 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 408567086 GIYPZQNOUJQGGL-QFIPXVFZSA-N 567.857 7.364 5 40 KKBB Cc1c(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 408589134 YXVQQIGVNSFBJO-UHFFFAOYSA-N 508.383 5.040 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)O)n[nH]2)c1 408634320 UIDCJSUNUKPJJG-JAIQZWGSSA-N 528.930 5.528 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408682863 KBYQNSDMLLYWLB-SNINSWTHSA-N 702.987 6.361 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408826029 CDMYICCPTPVRPD-SUAMDDGLSA-N 670.513 5.657 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(C(=O)OCC)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408835463 XBBHOMBTUFVVIW-JLKMOJGBSA-N 750.624 5.623 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5cccc6ccccc56)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408939865 IOVZOIKXORXYJL-YXHKLRKPSA-N 744.620 6.218 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc([C@@H]4N[C@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 408992461 SAVHFTUBLZVTSD-HTAPYJJXSA-N 573.077 6.050 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409037405 NLFWHONHUHYFRU-FZEVDNDPSA-N 848.510 6.448 5 40 KKBB CCCCN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409060040 RRRYEDZUNXGTLM-WQRHYEAKSA-N 570.259 6.535 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409071808 LMZPAMSJSAPCPW-UFFVCSGVSA-N 572.799 6.086 5 40 KKBB CCOc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1OCC 409142278 XOUWWPWDQZUMLX-HKBQPEDESA-N 537.616 6.754 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409180588 XOJCNKSCTYSHQO-NRFANRHFSA-N 637.114 5.890 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1 409183430 RXNUGJBSODLYBF-BUVRLJJBSA-N 517.563 5.411 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OC)cc1 409190229 MQRFEFIDOXCEGX-HBMWKUFKSA-N 779.300 6.935 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409207726 YGHDQGQKASWTTR-LSFURLLWSA-N 686.846 7.505 5 40 KKBB C[C@@H]1CCc2c(sc3c2c2nnc(SCc4ccccc4)n2c2nnc(SCc4ccccc4)n32)C1 2292519 RWWSEZVLMWAPPW-QGZVFWFLSA-N 528.732 6.696 5 40 KKBB CC(C)[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 4157314 WQORDRCQBZHMHR-SFHVURJKSA-N 548.162 5.255 5 40 KKBB COc1ccc(Nc2cc([N+](=O)[O-])c(Nc3ccc(OC)cc3)c([N+](=O)[O-])c2C(=O)N2CC(=O)Nc3ccccc32)cc1 6136730 AJMALWIRNGNDNV-UHFFFAOYSA-N 584.545 5.606 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(c1ccc(C(C)C)cc1)=NN2c1ccccc1 6190771 CMPOBWCZZJJMGI-JGCGQSQUSA-N 561.667 7.257 5 40 KKBB C=CC1=C(C)c2cc3[nH]c(c4c5nc(cc6[nH]c(cc1n2)c(C=O)c6CC)C(C)=C5C(=O)[C@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@H]3C 8616232 DPFLYVRCWCMRIH-SDFBSAGKSA-N 606.679 6.051 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 8765792 BLIDKTIWYKFVMF-UHFFFAOYSA-N 512.927 5.541 5 40 KKBB CCN1CCN(c2ccc(Nc3nc(/C=C/c4ccc(Cl)cc4)nc4cc5ccccc5cc34)cc2)CC1 9070673 SOFRAPYDFFZZEY-CXUHLZMHSA-N 520.080 7.492 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 16688611 OVIHFVSNMMBOGM-UHFFFAOYSA-N 500.393 5.537 5 40 KKBB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1[N+](=O)[O-] 59331784 VZNNXDJBJASFMW-UHFFFAOYSA-N 524.046 5.006 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1 97944190 JXFRRJKEUHZQPA-LFIBNONCSA-N 535.148 5.122 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1NC1C2CC3CC(C2)CC1C3 100167832 NSJGBXYQKIGHIU-UHFFFAOYSA-N 575.529 5.105 5 40 KKBB COc1ccc(-c2csc(NC(=S)NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1Br 100321726 CAHMGBMRTUUJEI-VMPITWQZSA-N 519.402 5.016 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3cc(Cl)ccc3N1[C@H]2C(=O)c1ccc(Br)cc1 101068836 CASFWPMBCHBMJZ-BELIEFIBSA-N 592.833 5.592 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 102191137 IUMWQSBZCGWYSD-YUIGLEDNSA-N 597.671 6.775 5 40 KKBB Cc1c(C(F)(F)F)no/c(=N\c2nc3ccccc3s2)c1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 102478513 HQWWPEPGQOTGLV-HFTWOUSFSA-N 516.505 5.079 5 40 KKBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 103117304 OKFBKUZRCISHQN-CFLOACSOSA-N 537.403 5.887 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 104099302 YEXPUGVIEGSHMV-UHFFFAOYSA-N 555.443 6.331 5 40 KKBB COc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(OC)c(Cl)c5)nc4c3)o2)c([N+](=O)[O-])c1 104329436 JLFRFSCWGABIMX-UHFFFAOYSA-N 519.901 5.512 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306153 ZJJZGAZCERVTRN-UHFFFAOYSA-N 570.458 6.827 5 40 KKBB O=C(Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 106728660 RTJSUDQBLBKDEV-GATIEOLUSA-N 556.556 5.153 5 40 KKBB CC(C)(C)c1cc(-c2c3nc(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc([nH]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5ccc(C=O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc(C(C)(C)C)c1 150342523 XYJSRSTWOJHYON-UHFFFAOYSA-N 979.410 18.921 5 40 KKBB COc1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(F)cc3)n2-c2ccc([N+](=O)[O-])cc2)cc1 150427365 ZEYXXICOAPHXGE-WJOKGBTCSA-N 695.733 5.732 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2=O)=N1 163454439 FORXFDOQFUELIE-MRWVFDTMSA-N 656.717 6.311 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl 224065906 UNZGAGUMLIMTJJ-CLJLJLNGSA-N 550.040 5.636 5 40 KKBB O=C(O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 224787175 NDGRNTHCDZVMSJ-VMPREFPWSA-N 594.674 7.276 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224791139 FUCMNMZIXVWSGW-GOSISDBHSA-N 504.052 5.348 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225729090 FEECKZBVYZYRTH-CCLHPLFOSA-N 635.570 5.819 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)cc1 253375150 OSKNEXCNOWJMKO-CPONHVLOSA-N 599.643 6.364 5 40 KKBB CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1OCC 408571519 OUMBYJURPBWSEY-NRFANRHFSA-N 521.437 5.554 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408685938 QLKOQEHXWMVXML-FZDFQQAASA-N 598.442 6.351 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)S2)cc1 408773311 HZPYTWFBXPQBLT-NFYDWNOTSA-N 570.465 6.107 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)S2)cc1 408779487 XKHCGVMDKUZZPY-AOLPSBPOSA-N 530.433 6.643 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 408830104 ROINGCZNKNCXRA-OGEXXFCLSA-N 609.660 5.437 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408999039 VXZDBMDSUBJWCV-IVWKLCDSSA-N 703.817 6.945 5 40 KKBB COc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 409117903 YCGIUZPKFSWROV-DHUJRADRSA-N 733.446 9.613 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc(F)cc1 409174107 RYSVBKYVGWDNHU-SRZZPIQSSA-N 538.469 5.109 5 40 KKBB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)c1 409228599 ZULYBGZOUMLATM-LPYMAVHISA-N 569.355 5.180 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 8429893 QFSBWILWZYXWAW-UHFFFAOYSA-N 616.325 7.270 5 40 KKBB O=c1oc2ccc3ccccc3c2cc1-c1cnc(N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)s1 97965229 SQWUQFQPOISLGK-DWYSCZOXSA-N 565.698 8.871 5 40 KKBB O=C(O)CCCC(=O)N1N=C(c2c(-c3ccc(Cl)cc3)c3ccccc3[nH]c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1 97977214 HXGPUQIRNBRBHR-DEOSSOPVSA-N 558.978 5.689 5 40 KKBB O=C(O)CCCC(=O)N1N=C(c2c(-c3ccc(Cl)cc3)c3ccccc3[nH]c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 97977215 HXGPUQIRNBRBHR-XMMPIXPASA-N 558.978 5.689 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cc([N+](=O)[O-])ccc1Cl 100299518 UEWXCHNLROOXOC-UHFFFAOYSA-N 537.384 6.990 5 40 KKBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 101513165 ODVUFQBIYPEETO-ULNSLHSMSA-N 579.565 5.182 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccccc1[N+](=O)[O-])(N1CCOCC1)N(C1CC1)C(c1ccccc1F)=N2 102940558 UBZUUCOOMSDWRF-HUESYALOSA-N 585.580 6.105 5 40 KKBB CC1=C[C@H]2N(c3ccc(C)cc31)[C@@H](C(=O)c1ccc(C)cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 103545931 XLAZJFUBGHRGIC-NLVFCZGTSA-N 583.644 6.458 5 40 KKBB CC(C)C1=CC=C(C2=NN(c3ccccc3)[C@]3(SC(c4ccc([N+](=O)[O-])cc4)=NN3c3ccccc3)c3ccccc32)CC1 103768782 VHGMPCQPLYGMQR-PSXMRANNSA-N 597.744 8.847 5 40 KKBB COc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 103780410 MWHIEKOEQBUSSR-UAMLYEQYSA-N 606.616 5.404 5 40 KKBB O=C(NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 106345485 ZQIIYFRVQYFGOG-UHFFFAOYSA-N 555.399 6.541 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 111469963 IBSOWKDWOFEXFI-GBIJUZDQSA-N 595.608 5.243 5 40 KKBB COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(OC)c4)n3-c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc(F)cc3)C2)cc1 150409638 LWQGRPDXMZQYJG-WJOKGBTCSA-N 695.733 5.732 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223608860 JUZRAMXYFNSNMU-AREMUKBSSA-N 675.204 5.491 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224377989 VYXFCXMUVOPXEW-WJOKGBTCSA-N 693.620 5.719 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 224725133 CEABISQTGQRVFY-LOYHVIPDSA-N 548.624 7.528 5 40 KKBB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)s1 224761063 HWRWYWIVDLYUDT-BJKOFHAPSA-N 504.662 6.688 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224827757 IDGVWROTMKIPDN-BHVANESWSA-N 698.842 6.114 5 40 KKBB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)(C)C 225113256 XSIZIDYDNVCYID-SVBPBHIXSA-N 571.659 6.420 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260940550 IRCHCNISCOXUMY-ZBLYBZFDSA-N 601.125 5.166 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261093500 UPLWZZVITXUMJT-GOXGLGGOSA-N 663.196 5.998 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 408567808 HLQNLGOKJFJAAG-DEOSSOPVSA-N 593.920 7.624 5 40 KKBB COc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408604648 DOKHMYUEEIITBR-UHFFFAOYSA-N 573.702 6.313 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 408640838 IZTGHCUOSUKSEG-GAZXMLTASA-N 610.450 6.355 5 40 KKBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408673365 WRNCWMWMWSBTHY-SRZLKVGRSA-N 627.653 5.567 5 40 KKBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408679342 DUCBQLMEJHPPOO-UOIPHLHCSA-N 682.127 5.290 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408688082 VQUJREQNFMLWKK-QYVZARNFSA-N 563.997 5.698 5 40 KKBB Cc1sc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)cc1-c1ccccc1 408738868 WOECUQIHEWIMHJ-VWLOTQADSA-N 515.591 6.108 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408844891 FOPGLRPPDMVFMR-YVBHXKDBSA-N 771.484 6.598 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 408918482 LBIFFEAPVBYFOL-OEAKJJBVSA-N 568.007 5.901 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 408919656 ZUIZSPNTZXIEBY-FSJBWODESA-N 521.507 5.327 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409011145 MKRMZACUYSWEEN-FVUPAENESA-N 535.416 6.170 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc2ccccc12 409162395 VBUCYLADPJSNMQ-LCQSEVKBSA-N 600.052 5.773 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)F)c1)C2=O 409178879 OIGVTZUUIFCSED-AREMUKBSSA-N 574.467 6.195 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 409179040 OXKLJMDYETYIAM-LMHXZZLNSA-N 572.184 5.144 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)c1ccc(Br)cc1 409223404 FIRVQHDZCZZXEX-KEBDBYFISA-N 547.770 6.190 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2cccc3cccnc23)n1-c1ccccc1 6280752 NGYUTDLTINRLAJ-UHFFFAOYSA-N 526.578 5.342 5 40 KKBB COc1cc(/C=c2\sc3nc4c(C)cc(C)cc4n3c2=O)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F 8426321 LQKCHFLELHBXRZ-JJFYIABZSA-N 541.507 5.802 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cccc(COc6ccc(Cl)cc6)c5)nc34)c12 13644212 HTTVJFPWPDUEPV-UHFFFAOYSA-N 507.953 7.033 5 40 KKBB CC1=C[C@H](O)CC(C)(C)[C@@H]1/C=C\C(C)=C\C=C/C(C)=C/C=C\C=C(C)/C=C\C=C(C)/C=C\C1=C(C)C[C@@H](O)CC1(C)C 43768013 KBPHJBAIARWVSC-XUNSUOAESA-N 568.886 10.403 5 40 KKBB O=c1/c(=C/c2c3ccccc3cc3ccccc23)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 58865367 DBIUZRFKNPZGIQ-AZJUONQGSA-N 520.657 6.625 5 40 KKBB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)n2CCC(C)C 97982539 NDEPYTTWRKMLAV-UHFFFAOYSA-N 544.406 5.330 5 40 KKBB O=C(CSc1nc2ccc(Br)cc2c2nc3ccccc3n12)N1CCN(c2ccccc2)CC1 101094777 WNGNDNTZIMQNPE-UHFFFAOYSA-N 532.467 5.239 5 40 KKBB CCCCCn1/c(=N\C(=O)c2ccc(Cl)cc2Cl)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101102649 JHYSZAFPLIZYPO-WMMMYUQOSA-N 527.408 5.064 5 40 KKBB O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1 101337058 LEDBOKOXPRJOOM-HXUWFJFHSA-N 532.862 5.263 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 106680504 PKBDQXCXVZFBPI-HAHDFKILSA-N 504.520 5.449 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223495948 YCGYYNIHBFQFTB-NLGDKJDOSA-N 663.196 5.998 5 40 KKBB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C(C)(C)C 225110984 BGRZFPYJLQOYOB-SVBPBHIXSA-N 570.675 5.951 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225280812 BGQXTNNPWSVTJJ-LJAQVGFWSA-N 661.608 6.353 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 248188324 IUMWQSBZCGWYSD-BRQNREJHSA-N 597.671 6.775 5 40 KKBB CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 299872527 NZCRJKRKKOLAOJ-DARLAWSKSA-N 785.891 6.158 5 40 KKBB in-man O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc4ccccc4c3)c(Br)c1)[C@H]1CCCN12 408569401 WOXJJSKQUSKMCC-GYZUZPTJSA-N 584.470 6.236 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 408573020 SEZBGVQDCCQBHI-SANMLTNESA-N 631.980 7.696 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408573959 UHCGPTBFMQVGAC-VWLOTQADSA-N 668.397 7.741 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408641915 LJWVNANNSXYRBT-UHFFFAOYSA-N 583.940 5.004 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5ccc6ccccc6c5C4=C[C@@H](c4ccccc4)[C@@H]3C2=O)c([N+](=O)[O-])c1 408729283 AUQOFQBWYHQPJG-AOLGVVFKSA-N 546.535 5.278 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408753019 GXAZZHXPDJMGSY-VUEIQANWSA-N 788.882 7.986 5 40 KKBB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408844373 NXDJHEYXTJTBNN-GZTJUZNOSA-N 595.441 7.895 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(Cl)c4)c(=O)n32)cc1OCC 408938820 SIPBTRKFANHFHF-FVMAXLJRSA-N 684.554 5.610 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1 409106037 QBMPKKNZNXFIFF-RGDUZTMSSA-N 659.790 5.565 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 409116850 MCZPUKCYJDTRRB-UHFFFAOYSA-N 543.907 5.110 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409145342 NTZQPMVSBBCJJU-LNXFQTKESA-N 696.605 5.036 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OC)cc1 409190226 MQRFEFIDOXCEGX-GSFJQCGGSA-N 779.300 6.935 5 40 KKBB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 409335288 LDSVJDPLFXFBDZ-UHFFFAOYSA-N 550.647 5.542 5 40 KKBB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12)OCc1ccccc1 3189179 LAAFWHSSCNSQAW-NDEPHWFRSA-N 532.552 5.871 5 40 KKBB biogenic CC(C)Cc1nc2sc3c(ncn4c(SCC(=O)c5ccc(Cl)cc5)nnc34)c2c2c1CCC2 9427595 HRGUYWZHOKPXLY-UHFFFAOYSA-N 508.072 6.203 5 40 KKBB COc1cccc(C[C@@H](c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3c(=O)n2Cc2cccc(OC)c2)c1 13028246 GGIBDLDAJUNRPT-MHZLTWQESA-N 521.573 5.745 5 40 KKBB COc1ccccc1OCc1ccc(-c2nc3c4sc5nc(C(F)F)cc(C)c5c4ncn3n2)cc1 13644171 QYFKBBJHGHMXPH-UHFFFAOYSA-N 503.534 6.388 5 40 KKBB O=C1[C@@H]2[C@H]3C[C@H]([C@H]2C(=O)N1c1cccc(C(F)(F)F)c1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)c2sc(=O)[nH]c2S[C@@H]31 100971692 YDFNPRCPBPZTAW-WWUUMWGSSA-N 573.574 5.041 5 40 KKBB O=[N+]([O-])c1cccc([C@@H]2Oc3c(Br)cc(Br)cc3[C@H]3CC(c4ccccc4)=NN23)c1 101510828 ZWRJAGWJJWZENT-IRLDBZIGSA-N 529.188 6.362 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 102560667 PPCVFMUUBPASDY-QODLHPCFSA-N 561.619 5.903 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 102628820 QOAQWZIMVOGESK-UHFFFAOYSA-N 530.558 5.467 5 40 KKBB O=c1c2ccccc2nc(Sc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])n1-c1ccc(F)cc1 103005484 RMSSRIOPBNTTAQ-UHFFFAOYSA-N 548.577 5.385 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5cccc(Br)c5)nc4c3)cc2[N+](=O)[O-])CC1 105302505 UEWJEDDGCJCBCQ-UHFFFAOYSA-N 535.398 6.654 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 106688485 CEHRDAXNTLTXPU-OYKKKHCWSA-N 524.982 6.462 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 110244791 NBGBKZMKOHAAFJ-VPHSIRQSSA-N 617.680 5.071 5 40 KKBB CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3Cl)nc2c1 112244313 XNYHYHOIUWDJOP-UHFFFAOYSA-N 580.066 6.143 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1 150365503 SEXAKKNDQXAJDL-JYGBZPGKSA-N 676.725 7.109 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223284566 XZOACNDJFDEEOI-UTONBFNKSA-N 707.249 6.315 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223325876 OXLFLTJQWBPIHS-PMERELPUSA-N 635.142 5.220 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224613224 LWQQJDDXQVHHTK-MHZLTWQESA-N 659.205 5.649 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 224750223 SXMLNXLPFAWDGH-LOYHVIPDSA-N 563.639 6.759 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 225258982 SPCTWNBBCKLNHA-CLJLJLNGSA-N 564.023 5.665 5 40 KKBB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225439545 DWKZORHCQSBBOT-AREMUKBSSA-N 645.178 5.137 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225503170 KHIWKOUZPAPJKZ-MGBGTMOVSA-N 725.239 6.456 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Br)cc1 408566057 DRTRVVGUAMOFER-HXUWFJFHSA-N 560.242 6.689 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1cccc2ccccc12 408567185 GRGJWSWYVRXQKD-PMERELPUSA-N 570.671 6.825 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 408568791 UPPGNJFRJGZCEK-GVPYKBAUSA-N 532.811 5.794 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(OC)c2)cc1 408573934 UEKSLWBYQNFUOR-VWLOTQADSA-N 524.574 5.421 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408658030 UPIYXLXELSIWGJ-GOTSBHOMSA-N 622.417 5.312 5 40 KKBB O=C(Oc1cccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408661890 MDBJYNIFTGWWTP-NSHDSACASA-N 609.205 5.968 5 40 KKBB O=c1/c(=C\c2c3ccccc3cc3ccccc23)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408786987 ZDQOOKFBHDPYAC-XNMXCUJWSA-N 538.647 6.764 5 40 KKBB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 408916756 GYVPYWMZWNXSNG-RQZCQDPDSA-N 511.339 5.080 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408938889 MBDIBYFDQGCSPN-SUAMDDGLSA-N 652.523 5.516 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 409027847 UENPWOPEEQOQIG-UHFFFAOYSA-N 527.908 5.409 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c2=O)=N1 409031905 BIZNNFYFBLEOIK-KEQCBNTKSA-N 703.398 6.355 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CCOc1ccc(F)cc1 409053250 NPCPVCXLTMKHFI-XKZIYDEJSA-N 652.292 6.953 5 40 KKBB CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)N(CC(=O)OC)C2=S)cc1 409060106 STBMABLRBDEROY-OYKKKHCWSA-N 689.382 6.409 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409155333 QSDXJQPQCWOEFX-SRZZPIQSSA-N 552.590 5.188 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C 409161442 XHVWNYRJOKBZHD-FBHDLOMBSA-N 503.363 7.015 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 409177840 HZMZUIYRNNQWQV-SANMLTNESA-N 540.915 5.830 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Sc4nnc(-c5cccc(Cl)c5)n4CC)c(=O)n32)cc1 409194689 QPNODNVAKUROGQ-HVDVVURSSA-N 745.283 6.577 5 40 KKBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409200443 SFIHZFBANXDQEP-BFNDQCEFSA-N 603.369 6.546 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409226660 QOJVNUMSPLMPQB-AFUMVMLFSA-N 597.443 6.254 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)c1ccc(Cl)cc1 409269520 CLAWGPZXGSZTTG-SSDVNMTOSA-N 539.909 5.868 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 409336061 LOLWWEVPESJUQL-BUDNTJSZSA-N 769.583 5.585 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)N1CCc2ccccc2C1 409377837 LHVBZCRZMOEZPI-QFEZKATASA-N 608.470 5.558 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 2076738 IZWINJARDHMDOE-SKGAXEKPSA-N 568.221 5.313 5 40 KKBB O=C(Oc1ccc(Cc2ccc(OC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 8427371 BXYAIDMLFYPILZ-UHFFFAOYSA-N 656.239 7.057 5 40 KKBB O=[N+]([O-])c1cccc(Cn2nc(-c3cccc(Br)c3)c(Cl)c2-c2cccc(Br)c2)c1 97947973 AIXDVERUQYWOKF-UHFFFAOYSA-N 547.634 7.352 5 40 KKBB COc1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1COc1ccc([N+](=O)[O-])cc1 102403616 OEUWDTAJQOYGOR-UHFFFAOYSA-N 593.544 5.987 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)OC(c1ccccc1)c1ccccc1)N1c3ccccc3C=C[C@H]21 102437429 YZABQCDDSCIHOQ-RJIGRWNCSA-N 585.616 5.626 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 103629519 BGBWVSOEMGISQJ-HLFPVBJPSA-N 591.451 5.076 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 105499204 QSJDUGYFUGRDBU-ASZNLBCTSA-N 601.706 5.007 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 106699318 JWGIBARYLCVSPK-RMORIDSASA-N 588.425 6.164 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1cc2c(cc1Cl)OCO2 106740463 KUQODXCAHCOLDQ-MRUKODCESA-N 547.976 6.216 5 40 KKBB CCCOc1c(I)cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 106745326 VXZFJVSQJSFKGP-WQRHYEAKSA-N 554.362 5.233 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 109957273 KOUHNFUFGPGHPA-RBBXRFMQSA-N 535.025 7.096 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1F 150385457 OTSWGEXAPSKEOH-WSDLNYQXSA-N 620.396 6.163 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214860082 QDLJGMJDSWTCOL-VULFUBBASA-N 580.540 7.804 5 40 KKBB COC(=O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 224793426 WSVZFUFJKTVENX-KYJUHHDHSA-N 608.701 7.365 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225289847 YLVIEXZUCNNSLG-MUUNZHRXSA-N 740.106 7.324 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 408565459 BZPJKTPSMNSKCA-AREMUKBSSA-N 539.057 6.544 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408570038 YFJGEKLSQGOTNF-BQVXCWBNSA-N 572.843 5.212 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1 408575386 WBXLXCTYXLMHGA-RUZDIDTESA-N 599.507 6.435 5 40 KKBB CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408612291 VHCMNLBQMRSXTD-UHFFFAOYSA-N 573.214 7.096 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633763 PBEJRGCBSVHIMU-NDENLUEZSA-N 531.377 6.658 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408640200 HPJCVMPECKFRAU-UHFFFAOYSA-N 581.195 6.053 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408821363 GPVDJQOLOALDCQ-GSTVVXAASA-N 657.745 5.471 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)o1 408833139 VUFPWABCJXJMFV-LCQSEVKBSA-N 551.649 5.857 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408840394 YMMIQDIKDLMIFZ-GIJQJNRQSA-N 673.939 8.947 5 40 KKBB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 408989299 TVAYNRLJEVSOBS-UHFFFAOYSA-N 688.216 7.567 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1CCCc1ccccc1 409133754 RIGLGMMPIZMRAS-HZHRSRAPSA-N 505.508 5.964 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)o2)cc1[N+](=O)[O-] 409173238 HUBRTRIBKLTZDO-RGVLZGJSSA-N 542.367 5.601 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c(C)c1 409178366 LHHGEIIAUSRZNT-FSJBWODESA-N 505.552 5.763 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409270733 HTZAHCWOZUOIHL-UHFFFAOYSA-N 557.934 5.418 5 40 KKBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2-c2nc(O)c3c4c(sc3n2)CCCC4)cc1 409273123 VPRIQSCPOLRFHV-UHFFFAOYSA-N 512.385 6.192 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)o2)c([N+](=O)[O-])cc1C 409276068 YAGPKDFLTGYWHF-FBHDLOMBSA-N 513.478 5.425 5 40 KKBB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1 902022 PSDSXSFBNZETDV-UHFFFAOYSA-N 522.383 5.336 5 40 KKBB COC(=O)[C@]1(c2ccc(N(C)C)cc2OC)CCCN(C(=O)Oc2ccccc2[N+](=O)[O-])CCc2c1[nH]c1ccccc21 5542007 QTPRLNBFMVXMKS-YTTGMZPUSA-N 586.645 5.447 5 40 KKBB COc1ccc(NS(=O)(=O)c2ccc(NCc3c4ccccc4nc4cc(Cl)ccc34)cc2)nn1 5614317 NXMSKUNWVLFANE-UHFFFAOYSA-N 505.987 5.253 5 40 KKBB Cc1csc(Sc2ccc(C(=O)O[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)cc2[N+](=O)[O-])n1 13098270 AZFUJSBBKJYTOV-JTQLQIEISA-N 513.384 5.397 5 40 KKBB Cc1nn(Cc2nc3c4sc5nc(C(F)(F)F)cc(-c6cnn(C)c6C)c5c4ncn3n2)c(C)c1Cl 98046236 IQSVLBCGVYOWPV-UHFFFAOYSA-N 531.955 5.130 5 40 KKBB CCOC(=O)c1c(/N=c2\oc3ccc4ccccc4c3cc2C(=O)Nc2ccc(OC)cc2)sc2c1CCCC2 100556498 OEZMSSNLXMMUEA-BVNFUTIRSA-N 552.652 7.196 5 40 KKBB CC(C)c1ccccc1-n1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)nc2ccccc2c1=O 103087486 UUIPUNCKBWEETC-UHFFFAOYSA-N 553.438 5.911 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307923 IBTIQWQEFHPCDG-UHFFFAOYSA-N 556.431 6.437 5 40 KKBB Cc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 105311543 FGNPHUDRZNCZTQ-UHFFFAOYSA-N 517.419 6.614 5 40 KKBB O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105352412 HUBPEWWVNWPJAA-UHFFFAOYSA-N 526.368 5.682 5 40 KKBB O=C(NC(=S)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 106264657 BKQNZBQACLDIBP-UHFFFAOYSA-N 518.942 5.369 5 40 KKBB Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 106783714 MXRQBFQDVHNMIK-IWIPYMOSSA-N 569.433 6.360 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc2c(Cl)cccc12 112229857 NQJYYQSNBYUFFK-UHFFFAOYSA-N 522.936 5.257 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222919039 XDIIFXXDWFJYOJ-JGCGQSQUSA-N 697.641 6.509 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224270957 JRHKVEDNPFANNL-UMSFTDKQSA-N 686.831 5.970 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 224759405 LUKMPIOVCYZLGW-KYJUHHDHSA-N 564.623 7.228 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260950359 VDRSIRWFFDLBNI-UUWRZZSWSA-N 689.234 6.533 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(F)cc1 408566786 GDGTYFFAGBVXON-JOCHJYFZSA-N 551.402 6.850 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc4ccccc4c3)c(Br)c1)[C@@H]1CCCN12 408569403 WOXJJSKQUSKMCC-RIOMWJCISA-N 584.470 6.236 5 40 KKBB Cc1ccc(COc2ccc(Br)cc2[C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1 408570283 KSQQSXBKFAORCY-VWLOTQADSA-N 553.482 6.644 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 408572210 QVKIETVXOFODFO-DEOSSOPVSA-N 619.925 6.698 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 408574084 UQPIQWWSVBQNPG-XMMPIXPASA-N 573.444 6.175 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408574533 VCYICMVWQYHCNA-VFICKSILSA-N 570.415 5.134 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408843699 RUFDAYAZLAMCCX-IZBTWGKQSA-N 757.368 6.897 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)c(=O)n32)cc1 408854207 ZQAPQFZBQVZBMS-SAGCDJCOSA-N 677.695 5.881 5 40 KKBB Cc1cc(Br)c(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(C(=O)O)cc2)C3=O)cc1C 408999079 JXUDSFKZIVDLTH-UHFFFAOYSA-N 560.360 6.370 5 40 KKBB CCCc1ccc(C(=O)N2c3ccccc3[C@@H](N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)C[C@@H]2C)cc1 1902062 MFBUCWOJBYTUJZ-FWUCURJTSA-N 533.628 7.374 5 40 KKBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2ccc3ccccc3c2)cc([N+](=O)[O-])c1 3139601 KZHPCYFKEJPEPJ-UHFFFAOYSA-N 526.303 5.355 5 40 KKBB COc1ccc(N(CC(=O)NCCSCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59886945 DFLZXVADYNFRNN-UHFFFAOYSA-N 614.529 5.164 5 40 KKBB CCOc1ccc(Oc2cc(Oc3ccc(NC(=O)c4cc5n(n4)[C@@H](C(F)(F)F)C[C@H](c4ccc(C)cc4)N5)cc3)cc([N+](=O)[O-])c2)cc1 97999536 BOUNPTJXZZACTC-XLJNKUFUSA-N 673.648 8.996 5 40 KKBB O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 100187160 ALEUGCUNZUDMMI-KYVQNOJUSA-N 527.374 5.781 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccc([N+](=O)[O-])cc1Cl 101087878 QZGMOOZMXOEUIL-XCVCLJGOSA-N 545.720 5.428 5 40 KKBB CCCCn1/c(=N\C(=O)c2c(-c3c(F)cccc3Cl)noc2C)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176586 SJBIVUCLUBIECH-MKFPQRGTSA-N 578.000 5.123 5 40 KKBB CCOC(=O)c1c(N2C(=O)[C@@H]3[C@@H](ON(c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)C2=O)sc(C)c1C 102861400 NDDWDIUNRULTLD-FDFHNCONSA-N 555.996 5.154 5 40 KKBB COc1ccc([C@@H](CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 103006419 ZYMBQJNTZYAVIU-XMMPIXPASA-N 534.638 5.503 5 40 KKBB CCC1=CC=C(C2=NN(c3ccccc3)[C@]3(SC(c4ccc([N+](=O)[O-])cc4)=NN3c3ccccc3)c3ccccc32)CC1 103768774 XCKPCQDTIVZQBZ-PGUFJCEWSA-N 583.717 8.601 5 40 KKBB CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105308006 QEYWGGNQPFOWIR-UHFFFAOYSA-N 529.622 6.253 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1F 106698398 UOYMMMMWOFPUDD-UUYOSTAYSA-N 543.370 6.312 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc2ccccc12 106740884 IWDQHKWDEOJZRE-YSMPRRRNSA-N 605.466 7.335 5 40 KKBB Cc1nn(-c2ccccc2)c(O)c1C(c1cc([N+](=O)[O-])cc(Br)c1O)c1c(C)nn(-c2ccccc2)c1O 108423151 RBBLUODDHRQDTK-UHFFFAOYSA-N 576.407 5.643 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 163742734 DFZZXJDZGWXKBB-GORIGYSASA-N 696.694 5.577 5 40 KKBB O=C1S/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205687284 VADKVKYZLNCJHJ-SRZZPIQSSA-N 698.276 6.620 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)o1 214413584 MHJHOIVGAZLDKW-KEBDBYFISA-N 505.335 6.407 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214857718 PNBASFBXOUPQLN-UFFVCSGVSA-N 546.344 6.839 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222633022 LMWICSKNXPPCGG-MHZLTWQESA-N 554.112 5.894 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223171868 VIQFTCXJQLNCQQ-LEWJYISDSA-N 710.047 5.855 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3C3CCCC3)cc2)cc1 224768804 NTHAMOHOLYZZSI-VSGBNLITSA-N 541.702 7.235 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225701245 MILFXVQFMBDGIB-CCLHPLFOSA-N 635.570 5.819 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408565887 DCRJGOUHTSOPRN-VWLOTQADSA-N 559.475 6.889 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1ccccc1 408570956 MMCXJPLYEMFDDU-HSZRJFAPSA-N 594.318 7.334 5 40 KKBB O=Cc1ccc(Sc2nnc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)n2)c([N+](=O)[O-])c1 408584671 SUTZREIFGYHQFC-UHFFFAOYSA-N 572.238 6.603 5 40 KKBB O=[N+]([O-])c1ccc(NCc2cc(Br)cc(Br)c2OCc2ccccc2Cl)cc1 408605625 GHBBHSKXPPZVFF-UHFFFAOYSA-N 526.612 6.964 5 40 KKBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408643320 PDUSVJWSGUQDPH-NRZDYLGASA-N 666.128 5.670 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408688449 WIGVVWGWCLDEIM-SNINSWTHSA-N 658.536 6.252 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4OC)C(=O)[C@H]23)cc1 408723194 ORYIYHYXBYVPNM-JXWCMEKSSA-N 692.724 6.810 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408732975 CBWLALHIDHRDIX-ZYDFGXJWSA-N 797.365 5.190 5 40 KKBB O=C(COC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 408736670 FAMZNQNFJZKEPH-MGBGTMOVSA-N 598.655 6.547 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408770461 XTTCPMLPMXVQDW-BHFPBWTASA-N 729.005 5.719 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1cccs1 408779417 WQFOMPZJZXSBBL-DKOMQPSQSA-N 701.533 5.240 5 40 KKBB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408812537 NIHVTAITHASESQ-BKUYFWCQSA-N 541.379 6.186 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409046516 KLAICQHCIDPRIZ-JHUDVDCUSA-N 752.640 5.852 5 40 KKBB CC(C)N1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 409061056 ZVOOTMWSFYFKIC-MFOYZWKCSA-N 650.232 5.828 5 40 KKBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1C 409137208 UPSUNJQKDCSTDT-VWLOTQADSA-N 574.688 5.772 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 409176954 CEDTYKMBAMSDBS-AREMUKBSSA-N 505.486 6.093 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409195137 UARNMIOECSSXKC-UFKHLRDRSA-N 767.289 6.951 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccccc1N1CCOCC1 409196745 WZTZQAXWHVGIHH-OVVQPSECSA-N 523.614 5.505 5 40 KKBB COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409201047 NGTGDIPOGHOJHJ-UHFFFAOYSA-N 512.187 6.864 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)c1ccc(Br)cc1 409219998 XEIZWXZFNCPNSG-QRVIBDJDSA-N 553.390 5.856 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(Cl)c1 409223659 GURXRBCNCMABFZ-FBHDLOMBSA-N 578.430 6.867 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409227949 XXFUKZNDJIJDQZ-WSDLNYQXSA-N 552.381 5.346 5 40 KKBB CC(C)Cn1c(SCc2cc(=O)oc3ccc4ccccc4c23)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 3290285 QNXKSDNPPMBYAO-UHFFFAOYSA-N 590.727 5.174 5 40 KKBB Cc1csc(Sc2ccc(C(=O)OCC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[N+](=O)[O-])n1 3355377 DUAOXTLCFIVSNQ-UHFFFAOYSA-N 513.475 5.205 5 40 KKBB O=[N+]([O-])c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1Sc1ccc(Cl)cc1 12959647 BAVDRKNLIQWVIM-UHFFFAOYSA-N 530.093 7.307 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N12 16037154 BVJVHLGHIWYVMX-KIHHCIJBSA-N 509.787 5.999 5 40 KKBB O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 39758047 XHMORRABFXWKFK-AWNIVKPZSA-N 505.943 5.671 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@]12C 70666061 MCSXGHLTXBACQB-BYDIDWEXSA-N 535.769 9.162 5 40 KKBB biogenic Cc1ccc(Sc2ccc(/C=C(/C(=O)Nc3ccc(Cl)cc3)c3nc4ccccc4s3)cc2[N+](=O)[O-])cc1 97981379 MHUZPAIPQHVJJC-KQWNVCNZSA-N 558.084 8.497 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 100054188 SQOPFQQLRVUPGT-LROCSFEJSA-N 511.941 5.705 5 40 KKBB CCCCn1c(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)nnc1SCC(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2 100817247 MMFPPKBUNGRBCJ-UHFFFAOYSA-N 628.777 5.463 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2ccc3c(c2)OCO3)=Nc2ccccc21 102437990 UZYUUHYFLCTZEH-LJAQVGFWSA-N 569.581 6.613 5 40 KKBB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 104059202 BSYIHBQFXRTASG-NHKHRBQYSA-N 579.565 5.182 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 150394614 HKVBZAIICHSSOQ-LRUGRNCASA-N 674.504 6.005 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 150394725 QHXMMTBEONOFLB-QZVQSRICSA-N 647.709 5.431 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(OC(=O)c6cccc([N+](=O)[O-])c6)cc5)c(=O)n42)c2ccccc2CC3)cc1OC 163292178 WEHGTHDBLSQMSJ-GEYGMGCISA-N 645.693 5.463 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163624983 MEBYQSROXGXSAY-IZBTWGKQSA-N 791.813 7.551 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl 205699674 UVFUCICATCAZOS-FOKLQQMPSA-N 685.323 7.720 5 40 KKBB O=C(CCCCC(=O)OCc1c2ccccc2cc2ccccc12)OCc1c2ccccc2cc2ccccc12 217619806 VKBCBXBURKMOMS-UHFFFAOYSA-N 526.632 8.646 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223112011 CGWKIRAGQBMITJ-LEWJYISDSA-N 649.141 5.232 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223663946 GZQYLQHLSNMCDY-NLGDKJDOSA-N 646.741 5.484 5 40 KKBB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223945092 GETLACROEKMBFF-GOSISDBHSA-N 671.987 5.621 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225325360 BYUMOAHGVPPRDR-MUUNZHRXSA-N 580.081 5.725 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261060415 NSJFIZNBIJHXAB-UKJJDJLKSA-N 663.196 5.998 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C/c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)C(=O)O)n[nH]2)c1 408631638 GBKCEVQNCCWWAF-YDZHTSKRSA-N 550.618 6.075 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cc(C)ccc3C(C)C)cc2)CC1=O 408642406 OPOPYYYAKCPLLG-IBGZPJMESA-N 503.555 5.819 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1Cl 408688335 WAHBNTMDVXNHKM-ZBWOKKAISA-N 720.991 6.588 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408838659 ZBUSPBGAPNZUFY-RWTNITNYSA-N 895.819 6.691 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)cc1 408926916 VATIHWOLGSVQCS-PLQLAVCSSA-N 726.880 7.942 5 40 KKBB CCOC(=O)c1ccc(COc2c(Br)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(OCC)c(OCC)c3)C(C(=O)OC)=CN=4)cc2[N+](=O)[O-])cc1 408949889 SMWYAYQZKNTONC-MSXCPPJZSA-N 766.623 5.242 5 40 KKBB O=[N+]([O-])c1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)ccc1Sc1cccc2cccnc12 408992191 QTSVODQYNDAGEC-UHFFFAOYSA-N 500.605 6.940 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c(Br)cc1OCc1ccccc1F 409082189 RMVFXRDDBYVEAM-XIHDXPBISA-N 696.551 5.584 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 409091008 SDWJFFLDGBEZLQ-XNOUSZLFSA-N 709.806 5.586 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O 409184199 YDDBBLZBYHQSHW-SANMLTNESA-N 575.360 6.483 5 40 KKBB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1 409192618 FLZYEXSRRWEXEN-GRSHGNNSSA-N 606.610 6.337 5 40 KKBB Cc1ccc(CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 409248872 HMXXKENFKMCVQE-WSDLNYQXSA-N 512.349 5.882 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409270054 FNOVCTUJJOUVOA-AFUMVMLFSA-N 552.992 6.145 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409385964 MVAPMVVGPJNCRW-WSDLNYQXSA-N 572.979 5.842 5 40 KKBB Cc1cccc(N2C(=O)c3cc(I)ccc3N[C@@H]2c2cc(Cl)ccc2[N+](=O)[O-])c1 2085558 CVLYQLOMQDVKGZ-FQEVSTJZSA-N 519.726 5.932 5 40 KKBB CC1(C)Cc2c(sc3c2c2nnc(SCc4ccccc4)n2c2nnc(SCc4ccccc4)n32)CO1 2267194 YBUYRSLVXXPALQ-UHFFFAOYSA-N 544.731 6.423 5 40 KKBB C[C@H](Sc1nc2ccccc2n1CCc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3258383 JIZMQNSBMQFTRH-SFHVURJKSA-N 529.647 6.430 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)sc2c1CCCC2 6089542 RSUZRSNTIAYTJG-UHFFFAOYSA-N 577.688 5.999 5 40 KKBB CSc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)c4ccccc4)c3)CC2)cc1 8444752 VPRPNNZAJGXFGS-LJQANCHMSA-N 512.657 5.001 5 40 KKBB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2c3ccccc3cc3ccccc23)ccc1Cl 12555162 KSIXFCKYXZZKPE-UHFFFAOYSA-N 517.006 6.708 5 40 KKBB O=C(N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl)OCc1ccccc1 13304044 BYNGFEAQWOAKGI-AWEZNQCLSA-N 512.202 5.157 5 40 KKBB CC1CCC2(CC1)N=C(c1ccc(Cl)cc1Cl)C(=S)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 20152353 RTDMMMYYBOJAGJ-UHFFFAOYSA-N 510.830 6.734 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)nc2c1 22833456 KBFLTUNTTHUWBQ-CQSZACIVSA-N 508.987 6.697 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 97952418 ITHYJZTURXOKBD-LWFYKLESSA-N 543.579 5.037 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 100310391 VHVFLPQGHJMDLI-RUDMXATFSA-N 539.367 5.398 5 40 KKBB CC1=C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5Cl)cc4)cc3)C(=O)[C@H]21 100390401 QGAMWNKSVGNEGX-DACRZHKXSA-N 558.974 6.099 5 40 KKBB CC[C@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 100926711 ACTTVKYFPXTCSY-RCYOKLDESA-N 526.976 5.964 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1ccccc1[N+](=O)[O-] 100957591 XIROSYUIZXQYHP-UHFFFAOYSA-N 547.390 6.446 5 40 KKBB Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](n4nc([N+](=O)[O-])nc4Br)(C3)C1)C2 102661765 TXTKSYWEIBDFEN-NDKKOABESA-N 623.339 6.051 5 40 KKBB CC1=CC(C)(C)N(C(=O)c2ccccc2[N+](=O)[O-])c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 105513353 ARESSWOYTMYQPJ-UHFFFAOYSA-N 564.685 8.820 5 40 KKBB Cn1ncc(Cl)c1C(=O)Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 150449881 DLKFXFHHWOSJMG-CUYJMHBOSA-N 652.845 5.015 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)n1nc(NCc2c(F)cccc2Cl)nc1NCc1c(F)cccc1Cl 199431890 XPTDPCAOBMSFEL-UHFFFAOYSA-N 533.322 5.684 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 214941342 DPJMHUBHSXUMGC-FSJBWODESA-N 555.406 6.181 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 214966905 MDXBXPQGFHOKSZ-ZVHZXABRSA-N 569.433 6.572 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222763103 COHZRSPQUPUMBO-WJOKGBTCSA-N 699.613 5.800 5 40 KKBB Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224767206 XOUBCZAUDFGDKJ-KYJUHHDHSA-N 563.708 7.417 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(Cl)cc1Cl)[C@@]21C(=O)Nc2ccccc21 229951873 QKIIMVJPMJSBIP-DCMQHHMNSA-N 624.480 7.148 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260792632 MIDAOZKIFSNYAH-HSZRJFAPSA-N 657.189 5.627 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc4ccccc4c3)c(Br)c1)[C@H]1CCCN12 408569402 WOXJJSKQUSKMCC-PLPKJQRDSA-N 584.470 6.236 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408574531 VCYICMVWQYHCNA-DLXDESGFSA-N 570.415 5.134 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408577501 ZQVFPPDGVMVCKW-XMMPIXPASA-N 638.371 7.651 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)O)n[nH]1 408633211 XEEICQSSBHQJHP-GRSHGNNSSA-N 533.349 6.173 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc([N+](=O)[O-])cc1 408639615 GCFAGZXJXAPOSL-UHFFFAOYSA-N 789.969 6.089 5 40 KKBB O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 408667704 JRCOHPUIJMUVDI-UHFFFAOYSA-N 532.336 5.595 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408679963 FPSQCKXMURTFTE-ZYNNUQKQSA-N 658.536 6.252 5 40 KKBB C[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 408719434 PFTLSNXUPTXSMX-CGWFDZAZSA-N 512.949 5.574 5 40 KKBB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12 408720721 XQFYNYUSOILBAY-KNWZFJHESA-N 506.558 5.619 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408827064 CFYZARAJKIQPMV-SZYVSPPHSA-N 800.584 5.807 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)cc1 408851860 AWDFIQBSLLFOFR-IKHSWBDUSA-N 676.751 5.768 5 40 KKBB O=C1N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1Cc1ccc(F)cc1 409015777 BDYCBHUKXZHITE-SRZZPIQSSA-N 699.214 5.615 5 40 KKBB COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409029777 BHRQSVHBNDRKQQ-BKUYFWCQSA-N 554.422 5.549 5 40 KKBB CCOc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1ccccc1 409140126 QAKNWBIZVAABLH-BHVANESWSA-N 599.687 7.934 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 409160160 SUCXYQJAIUBQEL-ADUBFANXSA-N 679.751 6.210 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(C(=O)OCC)c4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409179679 UBPMVMWJFSGMKO-FQKMCRJQSA-N 636.082 5.105 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n21 409190150 LNXPAWKAOZLLAM-QVPVGFNESA-N 816.543 7.109 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409198973 GLBIQLKWMBUUQT-FVUPAENESA-N 545.526 5.072 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409256663 MTVAEHCOMYZCOH-FMCGGJTJSA-N 690.428 5.974 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409275438 UPTVFSIBVGOVDJ-RAWKODRKSA-N 611.699 5.158 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2cccc3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409276271 ZSLCEBSEFLBJAD-YUMHPJSZSA-N 524.554 6.246 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccccc1Br 409327966 OKRBOTWHDKZZAN-SRZZPIQSSA-N 599.375 5.733 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409359010 VIECEVDIGPVBPD-JBDHCHCMSA-N 678.561 5.365 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(Oc2c(F)c(F)c(F)c(F)c2F)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 3183390 WYLBGLKLDISYLF-UHFFFAOYSA-N 588.401 6.495 5 40 KKBB CCOc1c(/C=C\c2cc(/C=C\c3cccc(OC)c3OCC)c([N+](=O)[O-])cc2[N+](=O)[O-])cccc1OC 5080559 DPZMSMVRPKNORN-VMNXYWKNSA-N 520.538 6.658 5 40 KKBB COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(OC)cc4[N+](=O)[O-])c(N)c23)cc1 6157176 UPHQGCWYGCJODR-UHFFFAOYSA-N 526.574 6.390 5 40 KKBB COc1cc(C(=O)Nc2cccc(Br)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 15304253 JNHONTLHCZPTJP-UHFFFAOYSA-N 511.250 6.429 5 40 KKBB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 22828896 PYDGXUXDLHCKOT-NTUHNPAUSA-N 504.974 5.171 5 40 KKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc(OC)c1OC 79189458 TXKQCQYTEXKQIX-UHFFFAOYSA-N 503.555 5.918 5 40 KKBB biogenic CCOC(=O)c1c(-c2ccccc2)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 100556857 UWOIBGVSUDOKKH-UHFFFAOYSA-N 586.578 6.579 5 40 KKBB COc1cc(-c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c(OC)c2)ccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 100813314 UHFYNNGDXCQIGO-UHFFFAOYSA-N 611.394 6.999 5 40 KKBB O=c1sc2c(n1-c1ccccc1)S[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H]2c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl 100872064 RIYNVJGXIKZELI-PARVHPLESA-N 577.127 7.692 5 40 KKBB COC(=O)c1cc(NC(=O)c2cc(Sc3ccc([N+](=O)[O-])cc3)c3ccccc3c2O)cc(C(=O)OC)c1 100988473 VYYVYZZBWNDOKQ-UHFFFAOYSA-N 532.530 5.430 5 40 KKBB CCCn1nc2ccccc2c1[P@](=Nc1cc([N+](=O)[O-])ccc1C)(Oc1ccc(Br)cc1)C(C)(C)C 102940770 RVDBKKHTRIPIMW-BHVANESWSA-N 569.440 8.376 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3c4ccccc4cc4ccccc34)c2=O)=N1 103827601 WSXMNRMNIYBDIR-GONGWJOBSA-N 592.717 5.902 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105318434 VWCTZIFFRKRGTJ-UHFFFAOYSA-N 541.633 5.304 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccc(OCC)cc2)sc2c1CCC2 150391442 OMXHIAMAXKHPDH-SFHVURJKSA-N 664.766 5.350 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 150394951 LHQWPUSMSNGALL-WGJPBTIMSA-N 635.698 5.729 5 40 KKBB O=C(Nc1cccc(S[C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 150483944 IQMINXWVVKURDS-WAWVYTBHSA-N 718.529 6.033 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223920041 LRBVIXATKPRXHE-MUUNZHRXSA-N 679.623 6.138 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224673302 GDXDIPDJQRFHGA-MHZLTWQESA-N 601.125 5.023 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccccn3)cc2)cc1 224761991 DUNPMUXHQHLDCS-IZLXSDGUSA-N 550.669 6.504 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225613430 LIVNIQVHZYZCKW-MHZLTWQESA-N 588.557 6.691 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(F)cc1)[C@H]1CCCN12 408563886 BJGMEQJJUBCYIQ-YUHKXCSQSA-N 552.400 5.222 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408565419 KQFOKNTZAAFJTR-BBFXTFFKSA-N 598.881 5.745 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)[C@H]1CCCN12 408566326 NNYFBZOOFHUSCU-BGBNXGLDSA-N 524.404 5.627 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1F 408577440 ZMPQQWGQNIYCBM-XMMPIXPASA-N 605.461 6.704 5 40 KKBB CC(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408665582 UATKSPQQKBRAKW-QOUIRAMZSA-N 564.425 5.151 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408685128 OTLJOHPJFRVFHR-HCXPYDJZSA-N 563.997 5.698 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408841803 HPZWXQDQEJULGF-YBFXNURJSA-N 593.957 6.334 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409084810 MYUIVGSPWDLBDP-ZBVBGGFBSA-N 508.530 5.036 5 40 KKBB COC(=O)C(=Cc1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(=O)OC 409092240 UIVRBTWLZTUYKN-UHFFFAOYSA-N 583.107 5.660 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 409153483 DDOCBDHSHLQMJN-SRZZPIQSSA-N 538.469 5.109 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409161960 XRDPDIUPMCBTCM-WYMPLXKRSA-N 612.458 5.928 5 40 KKBB COc1cccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)c1 409190389 YCOZZWYHDSEYKI-ANXWUVDLSA-N 628.229 6.092 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 409225329 OHWJDCABCYFPBI-NDENLUEZSA-N 512.341 5.067 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(I)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409366708 VGWPUNNSPNNRNT-AWQNYARGSA-N 890.321 7.110 5 40 KKBB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1COc1ccc([N+](=O)[O-])c(C)c1 2297771 MOYLPBIFLLZYAV-GDLZYMKVSA-N 509.562 6.258 5 40 KKBB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)s2)c(C)c1 2617379 ZOTRFQQQUZZVJV-CQSZACIVSA-N 512.642 6.050 5 40 KKBB C[C@@H]1CCCN(CCNc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1 9013182 SSYMYANOWROWJI-LJQANCHMSA-N 509.650 6.382 5 40 KKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4ccccc4Br)o3)nc12 13643707 NRRMTFJJNXMYIS-UHFFFAOYSA-N 506.385 6.106 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106734808 OTQOTZMJKQLYKA-FBHDLOMBSA-N 529.933 6.210 5 40 KKBB Cc1c(NC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 108304946 ZISQSZUGDFXBNT-UHFFFAOYSA-N 542.828 5.693 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)c1 111467893 DYIOSDZOGNZAJG-UNDLXJOSSA-N 606.660 5.359 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c2=O)=N1 163469415 KOWPYIPQMCERCM-DEDRDRDXSA-N 675.785 5.378 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(OS(=O)(=O)c6ccc(C)c([N+](=O)[O-])c6)cc5)c(=O)n42)c2ccccc2CC3)c1 163778302 OCFDRYISPAMXGC-GEYGMGCISA-N 665.749 5.312 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223004603 FRTLLUBXCIFTQO-IBGZPJMESA-N 700.041 6.399 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223549311 ADFVZEVXOHRREK-SANMLTNESA-N 635.570 5.819 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223623896 UFZVKGGUJJZBCZ-OGVWKLGRSA-N 741.694 6.969 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)o1 224383700 BXIUFTSRRYPRBH-SXOMAYOGSA-N 514.607 6.559 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 224786539 FRTNYONXHMTAIH-URLMMPGGSA-N 595.662 7.486 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 224936268 QLSRNEKYWTVJDR-HHHXNRCGSA-N 566.054 5.335 5 40 KKBB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NC(=O)C(C)(C)C 225119602 GVDOJIXOJLNVPX-KAYWLYCHSA-N 571.659 6.420 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225647261 OUFMOGDTOGEKNJ-UMSFTDKQSA-N 737.275 6.326 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 248156757 ZMIHIEGLVVBBGF-IANDGLOUSA-N 571.589 5.460 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261074372 QDPXPPOYZRQAAU-BNHRFMORSA-N 697.641 6.652 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1ccccc1 408565108 BEPKSQQSZLSLAJ-QHCPKHFHSA-N 570.425 5.936 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cccs1 408782326 HBNZXRBOLGNKIO-MFUBYVTQSA-N 719.433 5.872 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408831412 QKHRLFRZXQGONM-RWTNITNYSA-N 801.819 7.006 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408837549 IMYRGRYFFQFRQQ-DKOMQPSQSA-N 801.819 7.006 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc2ccccc12 408868441 OJCUORQPQHLSQP-PRLWALMFSA-N 600.052 5.773 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c2=O)=N1 409034829 IJDUSDMKSPEQAU-ZGOFBEGVSA-N 634.508 5.048 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)c1 409154771 OKVNVCQXESXNDS-WSDLNYQXSA-N 557.506 6.389 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1 409190279 RHVMJWBPFILBJH-GRSHGNNSSA-N 606.610 6.337 5 40 KKBB O=C(Nc1ccc2nc(SCc3ccc(I)cc3)sc2c1)c1ccccc1[N+](=O)[O-] 3669328 YMGDFRLAZRFSOW-UHFFFAOYSA-N 547.399 6.354 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3c(C)cc(C)cc3C)cc12 12040717 LECHFEUJMHIKBP-UHFFFAOYSA-N 520.563 5.813 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 12374638 SQOPFQQLRVUPGT-MEYXOBLXSA-N 511.941 5.705 5 40 KKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c(Cl)c1 16385809 YCDTYXKTHLIMKO-UHFFFAOYSA-N 515.224 6.989 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1)Nc1ccccc1[N+](=O)[O-] 59474799 IXDFDMAEJHHLOZ-UHFFFAOYSA-N 514.588 6.341 5 40 KKBB O=[N+]([O-])c1cc([C@@H](Nc2ccccn2)n2nnc3ccccc32)ccc1Sc1nc2ccccc2s1 59488700 VBHOFEQMJSFSBG-DEOSSOPVSA-N 511.592 6.154 5 40 KKBB CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@H](CC(C)C)C(=O)OCc1ccc([N+](=O)[O-])cc1 70670190 AKLVTOVHAXAATO-BBNXQRJPSA-N 586.770 6.602 5 40 KKBB biogenic CCOc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]3c2ccc(OCC)cc2)cc1 97983328 OVEBLQBUPDIOPA-ZHPYGUFWSA-N 560.050 7.482 5 40 KKBB CCN(CC)c1ccc2c(c1)OC(=O)N(c1ccc(Cl)c(Cl)c1)[P@]2(=Nc1ccc([N+](=O)[O-])cc1)N1CCOCC1 97984304 NHAABTVOWUJGDQ-RRHRGVEJSA-N 604.431 7.087 5 40 KKBB O=C(C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(CCC(c3ccc(Br)cc3)=NN2c2ccccc2)S1)c1ccccc1 97999615 KZVJKNUIEMUGGQ-SSEXGKCCSA-N 612.509 7.465 5 40 KKBB CCOc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)c1 101217448 YAXQSZGROMJYRA-VJBWXMMDSA-N 528.348 5.351 5 40 KKBB C[C@H](Nc1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N[C@H](C)c3ccccc3)cc1[N+](=O)[O-])C2=O)c1ccccc1 102415397 SYOCSCGDXHZTRO-ZWKOTPCHSA-N 572.599 5.927 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C)C(c1ccccc1)=N2 102940957 KLKDDJICTHXZLQ-RRHRGVEJSA-N 620.448 6.196 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307815 VOAFDXGCDAVMIC-UHFFFAOYSA-N 616.497 7.046 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4c(F)cccc4Cl)C3=O)cc2)cc1[N+](=O)[O-] 106736566 HUVSCMXGSRYUIN-JJFYIABZSA-N 562.984 5.700 5 40 KKBB COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 106745789 PBAPPMHNGCTNQE-QRVIBDJDSA-N 521.507 5.327 5 40 KKBB COc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(Cl)c([N+](=O)[O-])c2)OC1=O 112185001 QYVMVDBOJLVRTF-ACAGNQJTSA-N 516.529 5.126 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223290024 KTEUYAPTGCJBTQ-NDEPHWFRSA-N 624.760 5.138 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223722242 GGHBBUWHWURBTO-LJAQVGFWSA-N 624.760 5.139 5 40 KKBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 225292981 MZOKFOVFJVBJCE-SSEXGKCCSA-N 559.732 6.225 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225474270 JOJLVDDFSWFZBP-BKMJKUGQSA-N 645.178 5.483 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225527882 PCJDFMUSHXHTHN-UUWRZZSWSA-N 751.700 6.426 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 261018118 VCHJCIGXHBMGEK-JGCGQSQUSA-N 658.777 5.354 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408564688 DPTRSPVAGUNNEY-IUUIHGGBSA-N 516.356 5.233 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408567839 RWTQFOJXPRQGPQ-DNKZPPIMSA-N 570.415 5.088 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3F)c(Cl)c1)[C@H]1CCCN12 408570115 ZDRAXMIFDRZPFH-YUHKXCSQSA-N 507.949 5.113 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1 408574076 UOTFQMIZXNLZBX-SANMLTNESA-N 647.979 7.478 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C(=O)O)n[nH]1 408632265 PKVWNJGUXULBGT-JAIQZWGSSA-N 528.930 5.528 5 40 KKBB O=C(O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Sc1nnc(-c2ccc(Cl)cc2)o1 408633220 JAYZCEVBEAKVPP-ZDLGFXPLSA-N 548.758 6.539 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408684200 MZSYKECGLWNOLT-UHFFFAOYSA-N 584.155 5.970 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 408733557 JTKOZPBPBLHDBA-VPHSIRQSSA-N 674.529 6.297 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408776581 WIAMTWYGHQFTII-MDINZUHSSA-N 768.686 7.317 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409111255 BBBSORJSEUJKQZ-ZHGFHMGHSA-N 666.785 5.115 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409161734 ZAGNVAKBGUYJAL-AFUMVMLFSA-N 687.512 6.469 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 409176397 MHJKONUQSHXKSI-CIAFOILYSA-N 511.943 5.746 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409195038 SQSMIAMMOOCWSN-FWWOIACNSA-N 815.717 7.104 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1Cl 409269784 DSLKYHCLAQGCDP-KEBDBYFISA-N 548.360 5.845 5 40 KKBB COc1cc(NC(=O)c2ccc(OC(=O)c3cc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)cc2)cc([N+](=O)[O-])c1 1017775 KBSQWYSPYLMMTQ-UHFFFAOYSA-N 577.475 5.803 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2Br)cc1 8385523 YFZRMUHLBNKIFP-UHFFFAOYSA-N 564.146 5.533 5 40 KKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](C[N+](=O)[O-])c1ccc(N(C)C)cc1 8927192 VFILCUMPYXSAII-IUXNSEDMSA-N 550.721 8.218 5 40 KKBB COc1cc2ncc3c(-c4cccc(Br)c4)nn(-c4cccc([N+](=O)[O-])c4)c3c2cc1OC 20183640 JRBHUHVVOXVLQU-UHFFFAOYSA-N 505.328 5.929 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc4c(c3)OCO4)CCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 97983839 VXGNXCVRIIXHSM-BDNBMYHQSA-N 610.623 5.326 5 40 KKBB c1cc2c3cccc4c5cccc6c7cccc8c9cccc%10c%11cccc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c%109)c1c%12%11 100211330 IVJZBYVRLJZOOQ-UHFFFAOYSA-N 522.606 12.152 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 100340999 SKNOFRYXERVLQU-ZMOGYAJESA-N 542.972 6.602 5 40 KKBB COc1ccc(C2=NN(c3nc(-c4ccccc4)c4cc(Br)ccc4n3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 100813440 RCVAQTQIYZEEEK-NDEPHWFRSA-N 580.442 7.332 5 40 KKBB COc1ccc(CC(=O)NCc2nnc(SCc3ccc(Br)cc3)n2-c2ccc([N+](=O)[O-])cc2)cc1 100816833 WEWDGTQRLCAAGT-UHFFFAOYSA-N 568.453 5.098 5 40 KKBB O=C1Nc2ccccc2/C1=C/c1nc2ccc(I)cc2c(=O)n1-c1ccc(Cl)cc1[N+](=O)[O-] 102552588 ZKFDPOXQXLLKNI-PTNGSMBKSA-N 570.730 5.045 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@@]12C(c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)N(c2ccc(C)c(C)c2)N=C1C 102572846 MPZOSKBBYXZCJU-CONSDPRKSA-N 535.604 5.744 5 40 KKBB O=C(OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 103060690 WXDIRWQFXYJAIR-SSEXGKCCSA-N 548.599 5.883 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 112229051 QBMRSRGJPRMVMD-UHFFFAOYSA-N 545.621 5.292 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c2=O)=N1 164201404 GQRLFQYNZKLXIA-FJNIOPPGSA-N 801.510 6.608 5 40 KKBB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224763479 HHNKJTVKXHCIGZ-UIOOFZCWSA-N 515.664 6.701 5 40 KKBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 225293426 DPRILYFHANPGOI-LJAQVGFWSA-N 513.638 5.535 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225351829 IZEAQFXDBXRNEH-NDEPHWFRSA-N 534.056 5.880 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261029887 WTFJMQMXVHPNJU-UUWRZZSWSA-N 737.250 6.599 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccccc3Cl)c(Cl)c1)[C@H]1CCCN12 408567098 PRACVQBCOJXTSN-LADVCJOISA-N 558.849 6.280 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 408576248 WMHHRVPESFYPIX-VMPITWQZSA-N 544.391 5.700 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408828480 MLZIEIPPFZYYFH-FSEOGBMLSA-N 642.517 6.061 5 40 KKBB O=c1/c(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408841947 IVZJUYUUUPVBIW-GUHKKKFHSA-N 717.250 9.005 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1 408857692 PJFGVYJMESSBHG-HVDVVURSSA-N 620.687 5.749 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408947628 OBLUVTOQWDMBCN-FVUNBJOLSA-N 851.517 7.127 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)c2=O)=N1 409037226 SSGXMMLDFUDJHY-LMSRTUJASA-N 624.502 5.592 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 409162576 GBZSGHKVYSSQLL-NTNOMAAHSA-N 649.725 6.199 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409251043 OAQXDAIFOIUKCS-DHRITJCHSA-N 615.586 7.096 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409266574 PVVPEPVBRAERFY-JFLMPSFJSA-N 637.592 7.633 5 40 KKBB CCc1cc(I)ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 1312186 UJAYQEFBUVTSNO-UHFFFAOYSA-N 521.336 5.149 5 40 KKBB CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5[C@@H]1C[C@@H]1C(=O)O)C(C)=C4[C@@H]1C[C@@H]1C(=O)O)c(C)c3CCC(=O)O 4778076 RFOCRCFQHYNRDE-LWSSLDFYSA-N 678.742 6.584 5 40 KKBB COc1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n2[C@H]3c2ccc(OC)cc2)cc1 8398335 PSUAOBZEGHULTM-SFUMMCFVSA-N 565.651 5.408 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)ccc1[N+](=O)[O-])c1ccccc1 9892481 VFHLYEOMSLXLPM-JZNYMIQASA-N 502.659 6.023 5 40 KKBB O=c1cc(CN(Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@H]2CCCO2)c2c(ccc3ccccc32)o1 13149149 DHSCIDOTSSEMDC-VWLOTQADSA-N 517.581 6.387 5 40 KKBB O=[N+]([O-])c1c(Cl)c(O)c(Cl)c([N+](=O)[O-])c1Nc1c([N+](=O)[O-])c(Cl)c(O)c(Cl)c1[N+](=O)[O-] 38151869 VAXGTUNIOSKHIY-UHFFFAOYSA-N 518.993 5.088 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 100340990 GTSSGDKGHZKVES-YDZHTSKRSA-N 559.427 7.116 5 40 KKBB O=C(NCc1nnc(SCC(=O)N2CCCc3ccccc32)n1-c1cccc(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 100816737 JSQSKCQTZVVABJ-UHFFFAOYSA-N 597.484 5.484 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 104659062 UCBWEIXTJZTNFL-PYCBVSLESA-N 545.620 5.795 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106722295 MDVVCAUYSILPDN-CFRMEGHHSA-N 514.519 5.743 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 150365500 SEXAKKNDQXAJDL-FGDVEMDPSA-N 676.725 7.109 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(NC(=O)/C(=C\c2ccc(-c3ccccc3)o2)NC(=O)c2ccccc2)cc1 150425923 XKVJXMTYLYKBNI-NJZRLIGZSA-N 632.698 7.304 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222874096 IZFZQXYQPHCXEP-AREMUKBSSA-N 542.463 5.856 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225234311 XSNHZBXXHHZXTR-MUUNZHRXSA-N 740.106 7.324 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1 229954624 YUBUBTHBZIIYES-BMPBIMJCSA-N 662.698 6.801 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408575647 WSKUWRWRYMLQBW-RRHKGSKTSA-N 617.294 5.367 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408635100 YTIZYWNWUWHVDF-UCQKPKSFSA-N 536.566 5.677 5 40 KKBB O=C(Nc1ccc(-c2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 408670298 IMDJSRCLCGTAQS-UHFFFAOYSA-N 640.244 7.200 5 40 KKBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 408672359 VZXQORAGZYODEC-UHFFFAOYSA-N 542.013 5.999 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1Cl 408688334 WAHBNTMDVXNHKM-WVZRZZCNSA-N 720.991 6.588 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408865865 GBLPBOYTXDSEDY-MSXFZWOLSA-N 630.448 6.149 5 40 KKBB Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cccc1[N+](=O)[O-] 408921484 IEAZNRJWZOPVMN-UHFFFAOYSA-N 513.881 5.629 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409031352 ASLPTHRXSXYKHD-ZJTZAHLKSA-N 638.098 5.416 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccc2ccccc12 409145512 RAMYMLGHLFXFKC-OGMUYLFESA-N 605.672 5.439 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1cccc(Cl)c1 409158208 SFYIDHNDEFEDNF-WSDLNYQXSA-N 523.954 5.502 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O 409194154 NNAODXFYBKBZCI-JKYQMCTKSA-N 643.200 5.991 5 40 KKBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)cc1Cl 8836729 GPRBIWWYSHDMPO-UHFFFAOYSA-N 502.361 5.647 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 100361666 YUSCKHNBRIYTRW-SRZZPIQSSA-N 522.451 5.440 5 40 KKBB O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(Cl)cc4)c4ccccc4c3=O)c2)CC1 100365123 ICGICDUYODCYFK-UHFFFAOYSA-N 555.978 5.170 5 40 KKBB Cc1ccc(C2(c3ccc(C)cc3)S[C@@]3(SC(C(=O)c4ccccc4)=NN3c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 102420228 JXKLFEPEQYILKD-BHVANESWSA-N 613.764 8.810 5 40 KKBB CCCCCn1/c(=N\C(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 102548959 FNQWXYCHJRPYRL-GXVXDJONSA-N 604.704 5.262 5 40 KKBB CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccc(OC)c(OC)c1 102875241 DSCIVNJGQHNIGS-NHRFMIRVSA-N 569.658 7.742 5 40 KKBB O=C(O)CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccc(F)cc1 102884033 BPZSCUTZVAHZRY-XBBWARJSSA-N 529.524 6.149 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 103547509 ITCOWSBAYTXBHQ-MFUXGYHDSA-N 547.592 5.512 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc([N+](=O)[O-])ccc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1 104656842 VRBJLGOZCBDMDZ-SJXDCSIJSA-N 596.064 6.149 5 40 KKBB CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OCC)c([N+](=O)[O-])c4)cc3Cl)CC2)cc1 105025545 CIQRUICKRVWSOP-UHFFFAOYSA-N 567.042 5.650 5 40 KKBB Cc1cc(C)c2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105305830 XJAGZIQTTNAAPR-UHFFFAOYSA-N 529.622 6.137 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112244399 DVEOWPIWFGKARG-UHFFFAOYSA-N 572.430 5.673 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 163773155 FIMBLXHMIPYKRJ-NPNXEGEYSA-N 633.701 6.344 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224485216 YQWCFCOMCOKHCF-OAQYLSRUSA-N 538.428 5.155 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224850056 IPRIOVIZCRYRCP-KRWDZBQOSA-N 538.497 6.001 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 225253391 CUHLGOGDTLJTBC-FTJBHMTQSA-N 564.023 5.665 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 225258729 TXHCZIKLIVDPOB-FTJBHMTQSA-N 564.023 5.665 5 40 KKBB CC1=C[C@H]2C[C@@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5Cl)cc4)cc3)C(=O)[C@H]12 226411517 QGAMWNKSVGNEGX-PAARPEEMSA-N 558.974 6.099 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260774689 YBDUMSSYRFBSBI-HXUWFJFHSA-N 651.569 5.356 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260996113 DKECHGWHAQCHGM-SFRLIIPVSA-N 690.794 5.801 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 408564852 AOKMUWBFBVIRNC-HSZRJFAPSA-N 570.425 5.936 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)c([N+](=O)[O-])c1 408575289 UCBQYDUEZUHOKE-UXBLZVDNSA-N 544.391 5.700 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1cccc([N+](=O)[O-])c1 408649002 WZDZFKOXFCRHOA-UHFFFAOYSA-N 813.862 7.488 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408650099 ZLBLVMULJKCPMS-WQWSHVPRSA-N 638.460 5.782 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408686624 SFKUPSZDVNFPLS-QKCPIRFBSA-N 697.098 5.190 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408779396 DOHRLIKCHUIXNC-QARYAGPDSA-N 731.394 5.950 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n21 408950657 UBVSYEUNJWIKDA-QUNTYYFUSA-N 678.561 5.445 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408985217 JZXNWZWEGBAMST-SZYVSPPHSA-N 881.483 5.902 5 40 KKBB C[C@@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 408997353 FQQOIDBBSVAGHX-DFHRPNOPSA-N 507.590 5.332 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c2=O)=N1 409039489 GUAGWUNREKUPJR-LCQSEVKBSA-N 682.549 5.526 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409144655 YVZLSPHEEFTEGV-ZJTZAHLKSA-N 680.208 5.707 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409194737 QMVXLCUHLGCVBB-IMUCPKNRSA-N 824.179 7.341 5 40 KKBB Cc1ccc(CN2C(=O)N/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 409243108 VPHBSVWZDMHSQM-WSDLNYQXSA-N 601.251 6.100 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCc2ccccc2C1 409256851 QHKDAXKSKUKHPZ-WYMPLXKRSA-N 662.440 6.790 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409269383 ILNZZMQCNOAAOX-ZVBGSRNCSA-N 586.485 5.257 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3cccc4ccccc34)C2=O)o1 409397977 AOWORCFLLILQEA-UUYOSTAYSA-N 606.385 5.562 5 40 KKBB CCOC(=O)CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)OCC)c5C)C(CC)=C4C)c(CC)c3C 4769428 IDPOAEMBVQWVOI-UHFFFAOYSA-N 622.810 8.604 5 40 KKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4cccc([N+](=O)[O-])c4)CCC[C@H]3[C@H]2c2cccc([N+](=O)[O-])c2)n1 8455455 VYXMSYOEPBOPMV-WWMARLAMSA-N 545.512 5.064 5 40 KKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@@H]2c2cccc(OCc3ccccc3)c2)no1 9449086 LWTDVDJCEYGYNM-NDEPHWFRSA-N 514.537 6.571 5 40 KKBB CC1=C(C(=O)OCCc2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCCc2ccccc2)=C(C)N1 33717045 GMBUQMKXIMGISA-UHFFFAOYSA-N 526.589 5.401 5 40 KKBB Cc1ccc(C(=O)Oc2cn(CCC3=CCCCC3)c3nc(-c4ccc(C)cc4)n4c5ccccc5nc4c23)cc1 50860674 IYQRBYJEMGEAMS-UHFFFAOYSA-N 540.667 8.231 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(Br)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@H]2C1=O 101064479 CASFWPMBCHBMJZ-WUEDSLEZSA-N 592.833 5.592 5 40 KKBB COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1cccc([N+](=O)[O-])c1 102887103 ZTBXZOFYYWFZSK-VSKRKVRLSA-N 558.772 5.070 5 40 KKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 105024233 HNOKMVWVWAARMA-UHFFFAOYSA-N 562.431 5.808 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(F)cc1 111469642 GMXAGAZFMPLKPR-OINPTKSXSA-N 609.635 5.551 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112240102 HSWLRLXAJHZNIA-UHFFFAOYSA-N 554.053 5.488 5 40 KKBB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 139683367 NLPQJIROIRTKSP-XMMPIXPASA-N 590.098 5.673 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 150394811 KSZQVHUBCANYDV-LRUGRNCASA-N 630.053 5.896 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 150396235 XWNRASRBBBVHQY-KMCFWPMWSA-N 654.144 6.881 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163694689 GMENUNHRNAPUJD-PNZYDNNZSA-N 678.472 6.135 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222795015 ZLOIZWQSIDVSHQ-SANMLTNESA-N 552.469 5.312 5 40 KKBB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CCCC1 224770130 ILTXKZWXHYPGRE-XZWHSSHBSA-N 569.756 7.852 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225264627 KPRVNXOMRLCJMH-VQTJNVASSA-N 700.041 6.399 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225303015 VLGFCHBHKFLJSB-UMSFTDKQSA-N 721.276 6.625 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226364001 XCNODSWQZVLCTR-XYOKQWHBSA-N 553.821 8.113 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260936361 QPFGOQDPKPHJEL-PSXMRANNSA-N 747.314 7.158 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408568187 SGRMJSHLZLWWEK-MQVPCNEGSA-N 542.817 5.203 5 40 KKBB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccc1[N+](=O)[O-] 408573965 GFUCYYKTDFXHSJ-UHFFFAOYSA-N 513.881 5.629 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)n1-c1ccccc1 408577360 ZAYBCHSHQNYVNO-HSZRJFAPSA-N 543.418 6.166 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)O)o1 408630781 BDDMHFZNVYKZPQ-JJFYIABZSA-N 618.849 6.866 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 408647919 WAVRQTSMSKXSPJ-ZEQRLZLVSA-N 608.434 6.275 5 40 KKBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1[N+](=O)[O-] 408726363 BIJHUQNJZUGJKN-SKGAXEKPSA-N 568.221 5.313 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(F)cc1 408767824 PFSVVTLSTHHQDN-ARPTWMQFSA-N 746.820 8.108 5 40 KKBB COC(=O)c1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)o2)cc1 408841478 JIAMPOFYEGTMNJ-PYCBVSLESA-N 589.629 5.274 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O)Nc1ccc(F)cc1 408868012 MWHHURPDMAPBTJ-NHDPSOOVSA-N 576.389 6.295 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1cccc2ccccc12 408919051 RZHOOIAWQDACDC-ISZRBDKASA-N 728.621 6.600 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1 408984178 MARZOXCKIXHDJM-MKOZVTOYSA-N 690.959 6.520 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 409080097 LDWOISWQLYZYBB-PIXWUVMMSA-N 794.451 6.596 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409147291 YDPCLEDDTDAJRN-LCQSEVKBSA-N 645.763 5.053 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409171962 FOMMYLGTMQEPIT-WYMPLXKRSA-N 707.930 6.814 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 409173375 LMHYGPXEKJDLGN-AREMUKBSSA-N 514.515 6.435 5 40 KKBB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O 409193420 KJOVVWAFFFFEON-NSFNGMEESA-N 553.752 5.974 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1N1CCOCC1 409205741 FLZSFDVSLHCEEY-OEAKJJBVSA-N 568.995 5.020 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409275439 UPTVFSIBVGOVDJ-XGLKJEJJSA-N 611.699 5.158 5 40 KKBB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409276282 ZZVSEXQPRJIGDF-MTJSOVHGSA-N 516.453 6.655 5 40 KKBB COc1cc2ccc3c4c(c(OC)c(OC)c3c2cc1OC)C=C(c1cc(=O)oc2cc(C)c(C)cc12)N(C)CC4 604406057 ZRCSXRYTDHOFSB-UHFFFAOYSA-N 551.639 6.737 5 40 KKBB biogenic CCOc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc(Cl)c1OCc1cccc(Cl)c1 2084786 OPHJMCMVISOTNU-MTJSOVHGSA-N 513.333 6.224 5 40 KKBB CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)c1ccccc1n2CC 2208563 UYTZWLJHYWHJST-UHFFFAOYSA-N 514.633 6.910 5 40 KKBB CCCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCc5ccccc5C4)c3)CC2)cc1 9971929 IPNLPKGUDZEREP-UHFFFAOYSA-N 514.626 5.299 5 40 KKBB Cc1ccc(-c2nc(NC(=O)c3ccccc3Br)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 14406300 ARWOFDCRQYZLKA-UHFFFAOYSA-N 508.397 7.017 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2)cc1 22825687 GAWMZJXKCMMJCA-UHFFFAOYSA-N 502.571 5.234 5 40 KKBB COc1ccc2nc(O)c(-c3c4oc5c(C)c(O)ccc5c4nc4c3c(=O)[nH]n4C3CCCCCCC3)cc2c1 101407569 VOONGZYYYMBOQW-UHFFFAOYSA-N 538.604 6.853 5 40 KKBB O=C(Nc1ccc(C2CCC(c3ccc(NC(=O)c4ccc(F)c([N+](=O)[O-])c4)cc3)CC2)cc1)c1ccc(F)c([N+](=O)[O-])c1 102438085 MXOPVZZZFFYMDM-UHFFFAOYSA-N 600.578 7.727 5 40 KKBB O=c1/c(=C/c2c3ccccc3cc3ccccc23)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 102660314 VGQQPUVZNWSLKA-ACHQHTMYSA-N 565.654 6.533 5 40 KKBB CCCCN(CCCC)CCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 103073332 COAOCXQICIJTEL-POURPWNDSA-N 545.684 5.053 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 103629515 BGBWVSOEMGISQJ-ZFQOSOAKSA-N 591.451 5.076 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 106723728 XGRIVASBPHNQOL-FMCGGJTJSA-N 598.431 5.620 5 40 KKBB O=C(Nc1cccc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)/C(=C/c1cccs1)NC(=O)c1ccccc1 113563597 GGGODZXPGPHXCT-ARDUGYFRSA-N 598.662 5.490 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 167678714 WJRMBHMPALGVQF-QFIPXVFZSA-N 565.681 5.188 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224497982 LLOIXEYBHZAZDG-VWLOTQADSA-N 528.436 5.610 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225059540 HHRZFDQNIFEMIH-HHHXNRCGSA-N 554.474 6.143 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225144894 BYGSTWQURMGZOL-MUUNZHRXSA-N 705.661 6.670 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 225381666 DBHCJQIQGWBFNA-FQLXRVMXSA-N 556.644 6.757 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260919556 MBNZWARTXFTCNI-DIPNUNPCSA-N 712.869 6.505 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261045335 LFKZJMXJDVJYMI-JQJBXXCASA-N 725.239 6.454 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1 408570905 MGRGJLLKBDUYAB-HHHXNRCGSA-N 518.639 6.280 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)c(Br)cc1OC 408577460 ZNTIGSBNTAEKBS-IBGZPJMESA-N 527.828 5.509 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)O)n[nH]2)c1 408631472 DZVUSEKZIOUHNI-JAIQZWGSSA-N 528.930 5.528 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408733845 BALOEBYZEBFNIN-UHAPOFRNSA-N 687.771 5.482 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408751941 AOOJQVAIYNZMMJ-FUZBLHKMSA-N 626.734 6.259 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408786909 XHIAJAWKAXQOFC-NXYYLBPMSA-N 696.669 5.692 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccc(Br)cc1 408928855 FJMKXKAXHAMRRT-CIAFOILYSA-N 587.224 5.792 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(I)c4)c(=O)n32)cc1OCC 408936172 OOOYCAWLIYGWMM-FVMAXLJRSA-N 820.456 5.670 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)c(Br)cc1OCc1ccccc1F 409082190 RMVFXRDDBYVEAM-ZTJHJZSNSA-N 696.551 5.584 5 40 KKBB Cc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(C)c1 409112827 CDDPRDWRSVLQNX-UHFFFAOYSA-N 520.221 6.928 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409151647 HOJLMJWCKKHESJ-LSHDLFTRSA-N 607.950 6.743 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1Cl 409182696 NQVQNCWAOMZHEZ-LSHDLFTRSA-N 568.951 5.932 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 409193245 HWGGFXHLEGXKJG-YVBHXKDBSA-N 751.674 6.452 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCCO2 409194687 LHXJQOFCBAIHMA-FOKLQQMPSA-N 601.515 5.852 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C(C)C)cc4)C3=O)cc2[N+](=O)[O-])cc1 409331474 NGVNAPLUAWOKJW-MYYYXRDXSA-N 547.658 6.853 5 40 KKBB O=C(O)[C@H]1[C@@]23c4c5cc6c7c4c4c8c9c%10c(cc(c97)C6)Cc6cc7cc9cc%11c(c%12c(c%13c-8c-%10c6c7c%13c9%12)[C@H]42)[C@@]13[C@@H](C=%11)C5 627266077 ZADJNWVKEGRDBR-KTFCTRNPSA-N 540.577 7.285 5 40 KKBB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1 902278 MGQBNBZYETYQMR-UHFFFAOYSA-N 534.447 6.326 5 40 KKBB Cc1ccc(S(=O)(=O)Nc2ccc(Oc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1 3134744 GAXOYAJMEWFQCY-UHFFFAOYSA-N 531.852 6.077 5 40 KKBB c1ccc2c(=NNc3nnc(NN=c4c5ccccc5sc5ccccc45)c4ccccc34)c3ccccc3sc2c1 8637743 GAAONXPZKCOHPI-UHFFFAOYSA-N 578.726 8.221 5 40 KKBB O=C(c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1)N(Cc1ccccc1)c1ccccc1 9041864 NMBUNIHUQIIHQN-UHFFFAOYSA-N 517.467 6.170 5 40 KKBB C[C@@H]1C/C(=C/c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)c2nc3ccccc3c(C(=O)O)c2C1 96399881 PELPHZATCZHCCB-JUJXNAJKSA-N 522.601 8.054 5 40 KKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4ccc(Br)cc4Cl)o3)nc12 98046135 IDEIIQJKKYUKJK-UHFFFAOYSA-N 540.830 6.759 5 40 KKBB CCN(C(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)c1cccc(C)c1 101307908 BRQNBQSACLPHGO-UHFFFAOYSA-N 558.620 5.324 5 40 KKBB CCOc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 102156022 GGTNJFFKTJXNLZ-QUGAMOGWSA-N 580.663 7.726 5 40 KKBB CN(C)S(=O)(=O)c1cccc(COC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccc([N+](=O)[O-])c2)CCC3)c1 103083552 QNSVEMOGSPQXAG-CJLVFECKSA-N 557.628 5.627 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 104099827 YVAAADHRWKRGHG-JQIJEIRASA-N 543.023 6.482 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 163301236 GUVKSNNREQDAQM-KFOJKGMOSA-N 632.654 5.936 5 40 KKBB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224290771 OVQXHMOEJWUJPM-DEOSSOPVSA-N 651.569 5.357 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224921485 MBCIMUUGFRBRFH-XIFFEERXSA-N 675.207 6.142 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225131148 ZDKURGCJTZUZKI-QFIPXVFZSA-N 613.136 5.310 5 40 KKBB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 225360028 KOVNHBYBTZKJMB-IZZNHLLZSA-N 500.580 6.214 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 229600931 WIXOSKXCILXJHS-GYPIRZFJSA-N 576.008 6.230 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260952268 VPOXBBWPVZVCRX-SSEXGKCCSA-N 641.190 5.412 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(C)cc1 408571859 PSPVBXPVCMTFIB-MHZLTWQESA-N 611.562 7.351 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408635116 YYAMWYPEPIAWHY-XKZIYDEJSA-N 556.984 6.022 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1)c1ccc(C2CCCCC2)cc1 408748919 CRQVBUFCYLDZNX-UHFFFAOYSA-N 575.668 7.178 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408773364 QRJAUZIFGCSHFG-KMCFWPMWSA-N 714.569 6.324 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408835430 XLIFHVAQBGHWMU-LCQSEVKBSA-N 678.561 5.365 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1 408845827 ZOBUVTUFAUCMEA-ZSJKCPIUSA-N 674.053 5.490 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(OC)c4)c(=O)n32)cc1OCC 408939851 UNSMGMRIYVERGB-MGQZUQOPSA-N 724.586 5.074 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408972954 IGWSYYYNOXMMHO-YRSDHNRQSA-N 695.493 6.442 5 40 KKBB CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409131229 NSHKRPPATYIJNZ-HXUWFJFHSA-N 551.456 5.371 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409191907 QBQRXQCOWZQRCJ-GEYGMGCISA-N 782.735 8.149 5 40 KKBB CC(=O)Oc1c(-c2ccc(-c3[nH]c4cc([N+](=O)[O-])ccc4c3OC(C)=O)cc2)[nH]c2cc([N+](=O)[O-])ccc12 4265843 UJTKGJZYDJZBMH-UHFFFAOYSA-N 514.450 5.650 5 40 KKBB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 12559662 KOSDZVKENJHQKY-BTPFZMORSA-N 516.941 6.593 5 40 KKBB O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 59331847 ZWMUQNSJTLVXFC-UHFFFAOYSA-N 520.545 6.159 5 40 KKBB CN1/C(=C2\C=NN(c3ccccc3)[P@]2(=Nc2ccc([N+](=O)[O-])cc2Br)N2CCCC2)C(C)(C)c2ccccc21 97984496 ZNVZGNRSZZDDTI-FLTIMNJKSA-N 605.477 8.261 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)nc3ccccc3c2=O)c(C)c1 102402575 VSIBTOMEHNELCE-UHFFFAOYSA-N 528.512 5.660 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(OCc4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 102562016 ICIAMULZLRCHHA-IARZGTGTSA-N 555.974 5.878 5 40 KKBB C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] 103079814 MGXXJKCYRCFGDD-BAOGPQIGSA-N 551.555 5.933 5 40 KKBB O=C(CSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1)Nc1nnc(COc2ccc(Cl)cc2Cl)s1 103787076 BRQGOIFHJVCJRG-UHFFFAOYSA-N 598.475 5.167 5 40 KKBB CC1=C[C@@H]2N(c3ccc(C)cc31)[C@H](C(=O)c1cccs1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 104054140 KSFYBRZTBGDRCL-KCIBBDPESA-N 575.646 6.211 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 104659534 HDNOUUQZJIQCPE-DUCIMOQJSA-N 601.684 5.815 5 40 KKBB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)c1 105313158 ISGXCLOHDKEPPO-UHFFFAOYSA-N 529.622 6.137 5 40 KKBB O=C(OCCN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 150382378 FBPICVXYDXXLAI-UHFFFAOYSA-N 658.576 5.289 5 40 KKBB COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)ccc2Cl)cc1 150403829 BQIZWDXWDKQLLY-UHFFFAOYSA-N 640.070 5.456 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163615056 JAJBCUVPVAZMDS-DKOMQPSQSA-N 804.368 6.739 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223342212 NFGFCAJHTXUBNH-NDOVKIIASA-N 721.276 6.624 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223693572 JPYQKZRIDRVQCY-SSEXGKCCSA-N 669.587 5.873 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225293896 JXKDKJKMYAAREL-MHZLTWQESA-N 665.596 5.748 5 40 KKBB O=c1sc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc2n1Cc1ccccc1Cl 225804592 KNOLFCZHKWOMMS-UHFFFAOYSA-N 510.380 5.127 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260759359 FHKHTXIBGXPKKZ-JOCHJYFZSA-N 643.162 5.237 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260992784 OBGISGRHWGWUKM-MGBGTMOVSA-N 741.694 6.969 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1 408570907 MGRGJLLKBDUYAB-MHZLTWQESA-N 518.639 6.280 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)c1 408577160 YPZMGOCDYPWVBM-DEOSSOPVSA-N 512.994 6.366 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1cccs1 408650005 ZAGRYYQUPMBERJ-UHFFFAOYSA-N 573.197 5.806 5 40 KKBB O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccc(Br)cc2)cc1 408669613 XKTJMIPJVXKTMC-UHFFFAOYSA-N 556.369 5.440 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408682902 KGYAOTCIQQURMD-UHFFFAOYSA-N 795.858 7.261 5 40 KKBB O=C1Oc2ccc3ccccc3c2C2=C[C@H](c3ccccc3)[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]3[C@@H]12 408730735 HLWNVNFYYGWMFE-DLMOMKDTSA-N 550.954 5.923 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4ccc5ccccc5c4C3=C[C@@H](c3ccc4c(c3)OCO4)[C@@H]2C1=O 408733097 WBWJQNBYRMLQGM-GSEVSCEOSA-N 574.545 5.307 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733344 HADLSLOWEOLNKL-OIUASMPBSA-N 656.116 6.199 5 40 KKBB Cc1cc(C)cc(NC(=O)CSc2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C(=O)O)cc3s2)c1 408750845 SITMLHSDEUCRKG-UHFFFAOYSA-N 536.591 5.503 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408827648 FPDWNUQFLFKOIB-ZRELAVNMSA-N 638.407 5.816 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408828383 MSDPCEQQHPDZKK-VZIOXZNFSA-N 633.988 5.171 5 40 KKBB O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=C1/N=C(c2ccc([N+](=O)[O-])cc2)OC1=O 408840584 CNAWROYMCVJJSV-CXUMLNDESA-N 519.307 5.321 5 40 KKBB O=c1/c(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408843676 RPUASSDJICJACX-SAGCDJCOSA-N 589.648 5.945 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409107215 RAHIRZSJNLERPK-LEWFHKMSSA-N 685.806 6.177 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409180958 ZQMHJQKICAGIIR-AUEPDCJTSA-N 621.977 7.051 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409252025 RIMKBLYCCICTPO-OEAKJJBVSA-N 665.506 5.472 5 40 KKBB CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC(=O)C[C@@H](COC(=O)C[C@@H](C)CCCCCCC[C@@H](C)CCCC(C)C)CO[P@](=O)(O)OCC[N+](C)(C)C 2060993747 MCQUNSGKFVLGIP-LJVZXDNVSA-O 831.278 13.629 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2cccc(C(F)(F)F)c2)=Nc2ccccc21 1839799 NXFSIZSYBIIPBH-NDEPHWFRSA-N 593.569 7.903 5 40 KKBB CC(C)(C)[C@@H]1CCc2c(sc3nc(C4CCCCC4)nc(NCCNC(=O)c4ccc([N+](=O)[O-])cc4)c23)C1 13510233 NYIFWBLVNODBTA-HXUWFJFHSA-N 535.714 6.640 5 40 KKBB CCc1c(-c2ccc(OC)c(OC)c2)nn(Cc2cccc([N+](=O)[O-])c2)c1-c1ccc(OC)c(OC)c1 13960815 NQZHYZBGCUMVBA-UHFFFAOYSA-N 503.555 5.770 5 40 KKBB O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 14278395 QLYKOFLGTVYIEQ-UHFFFAOYSA-N 505.284 6.073 5 40 KKBB O=C1Oc2c(cc3c4c2CCCN4CCC3)[P@](=Nc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)N1c1ccc(Cl)c(Cl)c1 97984319 HQIASFGTDDPKDK-WBCKFURZSA-N 628.453 6.940 5 40 KKBB CCN1C(=O)N(c2ccccc2)[P@@](=Nc2ccc([N+](=O)[O-])cc2)(N(CC)CC)c2cc3c(cc21)OCCO3 97984779 PBRVPWHRDYIOOW-LHEWISCISA-N 535.541 6.163 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N=[P@](Oc1ccc(Br)cc1Br)(c1ccncc1)C(C)(C)C 97984918 LEURASKLDJJWRG-YTTGMZPUSA-N 583.217 7.474 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccc(F)cc1 106739544 KWYPFJJOQGFNFV-UCQKPKSFSA-N 522.510 5.588 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 150389530 QEGYCUWAXWTCGH-KCQXITDRSA-N 668.522 5.055 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223725269 PHSPDMRKTIEYCM-XMMPIXPASA-N 560.434 5.065 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224492843 IHDGNLYIODCMLR-RUZDIDTESA-N 552.469 5.455 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)o1 224913613 XJMYCDIRZPXPPP-DQEYMECFSA-N 504.543 5.883 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225153700 MQLXDZYPZSGFIK-OAQYLSRUSA-N 665.596 5.748 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225306282 BHVIHXCMUNACHX-PMERELPUSA-N 622.744 5.055 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1F 225622827 VNJAXTJHYULFLP-CLJLJLNGSA-N 531.569 5.390 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 229613534 OZHQHXSCWYIWIL-GYPIRZFJSA-N 541.563 5.577 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261104358 WTEBVZRPDAQPBX-UKJJDJLKSA-N 646.741 5.484 5 40 KKBB COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408558914 TUTBEWJQTAPDNT-JOCHJYFZSA-N 650.800 7.451 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 408564784 AFAPWBIWNXPCQJ-MHZLTWQESA-N 518.639 6.280 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 408570278 KRMGYBMRZNWAEP-DEOSSOPVSA-N 600.451 5.944 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408572676 RSMTWMPFNVBHMH-LDWIUKIUSA-N 542.419 5.539 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 408576153 XKADSZPGXYRVOI-NJLXRYBVSA-N 577.262 5.903 5 40 KKBB Cc1nnc(S/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)O)o1 408630489 AIDTZJXMDUTDJX-UQQQWYQISA-N 524.558 6.629 5 40 KKBB CCOc1cc(/C=C(\Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408630752 CLDIDTOTJPLRHT-CFRMEGHHSA-N 583.022 6.237 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408649631 YQFQGZQOTVPDKG-UHFFFAOYSA-N 899.524 8.054 5 40 KKBB C[C@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408672081 ZIAWZAMDUYJYBC-FGKGSEMVSA-N 585.827 5.273 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)S2)cc1 408771352 FVHWMZNLTWMCCH-QDNAUZDWSA-N 666.335 6.703 5 40 KKBB O=c1/c(=C\c2c(OCc3ccccc3F)ccc3ccccc23)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408772019 MLPFLOYZHWDPAE-DEGAVRALSA-N 639.708 7.098 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408786910 XHIAJAWKAXQOFC-PEPUGYCWSA-N 696.669 5.692 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)o1 408794687 ATVOQZLQQDXTLQ-XJJGNREASA-N 502.616 7.217 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408988455 QXRKSJMBUVTNBK-FWESEHMYSA-N 642.089 5.766 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c2=O)=N1 409038897 PUJKXQLUCSJOTR-CRCYZHLCSA-N 686.968 6.171 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409049483 RBZLIIGDRSMPJI-AHDXEZHLSA-N 680.783 5.814 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccc(Br)cc2)cc1 409184164 XPRICNDQUYESOD-HHHXNRCGSA-N 546.373 6.717 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 409196292 VNNUCJYOEOZKRX-JBVGNYNVSA-N 813.745 7.589 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br 409254419 DPQLVYVFIKYOSY-LGJNPRDNSA-N 654.495 5.919 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 409274178 NHPYHKAEWUWBPS-FOKLQQMPSA-N 543.384 6.400 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C 409360663 BTDVBUKWVKOTRN-HXUWFJFHSA-N 551.456 5.371 5 40 KKBB Cc1cc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c(C)c2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 2029737 OQGSGWXGHXJXGY-UHFFFAOYSA-N 579.396 7.598 5 40 KKBB COc1cc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccc1OCc1ccc(Cl)cc1 6289332 KQHODLUXMYHYDJ-UHFFFAOYSA-N 609.026 5.692 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 11852757 RKYKVXBQVCHJBU-UHFFFAOYSA-N 528.926 5.900 5 40 KKBB Cc1ccc(-c2nn(-c3cc(N4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1 29491908 NQUWTQZMCZIKFR-UHFFFAOYSA-N 595.681 5.089 5 40 KKBB COc1cccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccn2)[C@H]3c2cccc([N+](=O)[O-])c2)c1 53319432 AHHQFPRHVQDPTB-MUUNZHRXSA-N 556.586 6.288 5 40 KKBB C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 98003543 CDJSBTOODNRWPY-MRXNPFEDSA-N 567.486 8.056 5 40 KKBB Cc1c(-c2cc(C(F)(F)F)nc3sc4c(ncn5nc([C@H](C)n6cc(Cl)cn6)nc45)c23)cnn1C 98046235 LBLQFLDIPNDDJG-JTQLQIEISA-N 517.928 5.074 5 40 KKBB CC1=C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5c(Cl)cccc5[N+](=O)[O-])cc4)cc3)C(=O)[C@H]21 100391057 IBBQLBXXABFNKA-CMUPFOSCSA-N 558.974 6.099 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)o1 150396954 UTZHGTSNHGVOPT-PKYOQBLNSA-N 627.078 5.704 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2s1)Nc1cccc(C(F)(F)F)c1 163570263 MYFNVHWRBABAFP-UHFFFAOYSA-N 635.696 7.295 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222518463 VJWCNQQDGPZCDQ-SSEXGKCCSA-N 683.158 5.286 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222696029 ZXMUWYCYGZUSMG-XMMPIXPASA-N 546.476 5.521 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223165541 SWPROZXIHJPRBF-JOCHJYFZSA-N 631.151 5.094 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223967554 ZXPOJHPZPWJOEC-SKCUWOTOSA-N 549.693 5.391 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C 224107195 IGAQKPOPKSRYJI-RRPNLBNLSA-N 541.633 6.330 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224575180 WYBPASVNMYLGOR-HHHXNRCGSA-N 659.205 5.649 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224879926 PTJPPGSCXHFTML-HKBQPEDESA-N 649.169 5.608 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 408575459 WIFMQXYCCSDBDO-VWLOTQADSA-N 603.926 7.079 5 40 KKBB O=C(CSc1nnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1)c1cccc([N+](=O)[O-])c1 408582122 BNEQLUOQRZSHMK-UHFFFAOYSA-N 586.265 6.614 5 40 KKBB CCn1c2ccccc2c2cc(NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)ccc21 408630103 NQTZTZKJQYUUMT-UHFFFAOYSA-N 528.590 5.557 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408662371 XYGLGLRYRANPDZ-DHIUTWEWSA-N 596.423 6.109 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 408753112 HVNPCJLSBOTFPD-NXYYLBPMSA-N 805.501 6.956 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n21 408933610 BOKCBZNIAHAKCI-ORVZPOCUSA-N 652.523 5.435 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408978615 AAXSUGHYSHEPIM-WGJPBTIMSA-N 761.050 6.847 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409020447 PLJRAKGHNGMTHB-OVVQPSECSA-N 637.114 5.611 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1Cc1ccccc1F 409071418 RHHHUTBJBMOWKT-CIAFOILYSA-N 573.318 5.010 5 40 KKBB COc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 409176863 ZMZJYWRJTAKYKT-MHZLTWQESA-N 531.542 5.217 5 40 KKBB CCOc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1OCC 409188433 HODLQYQWTRZMEO-YSWSIGQQSA-N 607.413 6.118 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc(F)c(F)c1F 409274246 OBYCKBJZBPGFOA-RGVLZGJSSA-N 543.479 5.266 5 40 KKBB CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C 504276151 NZCRJKRKKOLAOJ-BGBXIMPPSA-N 785.891 6.158 5 40 KKBB Nc1ccc(-c2nc(-c3ccccc3)c3cc4c(-c5ccccc5)nc(-c5ccc(N)cc5)nc4cc3n2)cc1 3144339 OIJGYSSZIPIYDI-UHFFFAOYSA-N 516.608 7.405 5 40 KKBB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 3411968 PTUOIMVMLNMKPV-INIZCTEOSA-N 550.555 6.430 5 40 KKBB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 8590644 WWMKQGGRNWIPCP-UHFFFAOYSA-N 513.337 5.799 5 40 KKBB COc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c([N+](=O)[O-])c1 12618107 OPKIJBPMXJHGTH-UHFFFAOYSA-N 517.611 5.879 5 40 KKBB COc1ccc(C(=O)[C@H](OC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 13857798 RNBQZRYMVZHUPQ-HHHXNRCGSA-N 510.502 5.637 5 40 KKBB Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c1 14275579 FTFFAKIHFVQVPW-UHFFFAOYSA-N 515.595 5.747 5 40 KKBB Cc1cc(C)n(-c2cc(N3CCN(c4nc(-c5ccc(Br)cc5)cs4)CC3)ccc2[N+](=O)[O-])n1 98005844 DBPIGRQAKGMDKK-UHFFFAOYSA-N 539.459 5.610 5 40 KKBB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1Br 102557102 SKBFYJCKVOADAM-KEVKATSASA-N 588.414 5.073 5 40 KKBB O=C(COc1ccc2ccccc2c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 102928396 XXUYTCZNLKJVAE-YDBOYQHDSA-N 562.582 6.858 5 40 KKBB COc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2ccc(N4CCCC4)c([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC 102928573 JFFXOTLGVJYQIL-UOUQPCIPSA-N 626.710 6.666 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2s1)Nc1ccccc1[N+](=O)[O-] 103754598 VWQGZHRMOBIGDD-UHFFFAOYSA-N 533.418 6.494 5 40 KKBB c1ccc(C[N+]2(Cc3ccccc3)CC[N+](Cc3ccccc3)(Cc3ccccc3)[C@@H]3CCCC[C@H]32)cc1 104340000 RRLMDROXBSLWAT-LQFQNGICSA-N 502.746 7.746 5 40 KKBB COc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105312961 UYCCOIGJGRECBU-UHFFFAOYSA-N 531.594 5.529 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccccc1 111465303 MORCKYCOSRIIQY-CLNXTWJPSA-N 591.645 5.412 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163213035 XVRNPQLUUQRKJA-VPHSIRQSSA-N 689.385 7.012 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 164010387 QZZAGAPRMGWSEJ-CJCCVFIKSA-N 946.352 6.274 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c2=O)=N1 164188560 RGBXDJCQLQAUMF-FVUNBJOLSA-N 673.744 5.092 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222760288 NDAILBLGTRNPBX-YTTGMZPUSA-N 646.741 5.342 5 40 KKBB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 223837325 QJHQGXXDTXDTCN-IZZNHLLZSA-N 516.579 5.834 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224523975 DVNUIWJVTJVSGF-RUZDIDTESA-N 542.463 5.999 5 40 KKBB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1nccs1 224764178 MNTKJBWPDVHWEN-RRPNLBNLSA-N 584.752 7.182 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260987261 PGUGUYQSOZUICN-GOTSBHOMSA-N 645.178 5.401 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261098233 VLYDBJKKOGLRJS-YADHBBJMSA-N 675.602 5.202 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 408576876 YGMNLVSZATZSHJ-UHFFFAOYSA-N 577.446 5.175 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 408577390 ZEDUKYGVTNXPMB-UOBHGWHPSA-N 558.432 5.750 5 40 KKBB O=C(O)/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408632993 IPGHTEJWOLXMFN-QRVIBDJDSA-N 531.981 6.254 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408677360 BTGRYDJUHQBPTC-QYVZARNFSA-N 563.997 5.698 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408824868 ASZWUKBPRZONKJ-IMUCPKNRSA-N 622.678 6.305 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 408873668 URAQRBIPEMZCFQ-OBDCIHEFSA-N 631.707 5.381 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c2=O)=N1 409038362 VBFLDIPVMMIHAO-KMBIYUNPSA-N 668.953 5.701 5 40 KKBB CCc1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1 409115638 SOPLSGIJRHYQQC-UHFFFAOYSA-N 520.221 6.873 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409155366 PPXDIZKMEPNXMV-AFUMVMLFSA-N 640.512 6.627 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409177808 HNIKRCJMJPEZDZ-XSTKMXAKSA-N 661.567 6.325 5 40 KKBB COc1ccc(Cl)cc1C1=N/C(=C\c2ccccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)O1 409189682 MYKBHCJPZPFQCH-DOJIRPKPSA-N 504.882 5.220 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409273126 PVRHUIOWKQGMFL-DHRITJCHSA-N 592.586 5.986 5 40 KKBB O=[N+]([O-])c1cccc(COc2ccc(Br)cc2C(=S)N2CCN(Cc3ccccc3)CC2)c1 409372233 YJDFNNJEMJYXDT-UHFFFAOYSA-N 526.456 5.430 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)C2=O)o1 409399037 HFQDMEKXXZAESC-NVMNQCDNSA-N 590.770 5.062 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 1307712 YAVFPELZYVJJBL-UPVQGACJSA-N 553.497 6.578 5 40 KKBB CC(C)C(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(=O)Nc1nc(-c3cccc([N+](=O)[O-])c3)cs1)CCC2 3324856 CMHVBHRWLCTVCP-ZDUSSCGKSA-N 528.612 5.047 5 40 KKBB O=[N+]([O-])c1cc(-c2nnc(CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)o2)cc([N+](=O)[O-])c1 8781287 RAKLLMZJNHGYEW-UHFFFAOYSA-N 501.480 6.167 5 40 KKBB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cc(Br)cc23)cc1[N+](=O)[O-] 9371781 JORGTMRNXMTHNJ-UHFFFAOYSA-N 510.775 7.095 5 40 KKBB O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 12561571 XHLYDBXBPAZWKZ-UHFFFAOYSA-N 507.387 5.330 5 40 KKBB Cc1ccc(CSc2nnc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4[C@H]3c3cccc([N+](=O)[O-])c3)s2)cc1 101349384 CAQXGYYPPQNJMD-HSZRJFAPSA-N 556.625 6.212 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 102370363 NNMUSNAJXQOONC-AXXJGTDDSA-N 599.643 6.364 5 40 KKBB CCc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 102431397 RCFNDUWZWRLRES-SSEXGKCCSA-N 553.626 7.447 5 40 KKBB C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] 103079810 MGXXJKCYRCFGDD-XTFSCAMASA-N 551.555 5.933 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc(Cl)cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 103552849 UTSKPBSVUGXZSY-IANDGLOUSA-N 590.035 6.494 5 40 KKBB COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1Cl 108293192 QRKZCNGEDXZPCF-UHFFFAOYSA-N 548.968 5.378 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 150394847 HJOJSFLMWVVUKY-FWESEHMYSA-N 625.634 5.252 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(C(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)c([N+](=O)[O-])c1 150397197 QLUOCLROGNQLNP-ISZRBDKASA-N 634.714 6.174 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163645543 JWJJHWQTJAIBDL-LMSRTUJASA-N 813.976 6.485 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222714959 IXSCBEAPGSJVPC-HHHXNRCGSA-N 537.657 5.379 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225164683 XBJUDKSLBJKINA-LJAQVGFWSA-N 627.163 5.700 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225203483 MFSLHMPTXNFVGD-GOSISDBHSA-N 548.503 5.457 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225214493 NVKBSGSKQHSQTR-QFIPXVFZSA-N 736.085 6.389 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225315164 LSHFSEGEKPDTII-CVEARBPZSA-N 512.459 5.467 5 40 KKBB CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229873344 ICZJZIATRJSWEA-VIJPYWPYSA-N 611.698 7.184 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261093498 UPKNRKUIYOPUEA-YJNPBZNESA-N 721.276 6.624 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3cccc(F)c3)c(Cl)c1)[C@H]1CCCN12 408563409 AJSSSZJSVGEXLK-JQHZVFBJSA-N 542.394 5.766 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408565663 LRFPMOMNMOKXBZ-FODJJAHYSA-N 572.843 5.212 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 408727731 WHOZWUHNQOFPJY-DTDQMKFYSA-N 635.698 5.447 5 40 KKBB O=c1/c(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408754739 HTGUPTWTNPOSSE-IMUCPKNRSA-N 602.628 5.927 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408832387 SYNVNIWXZWBWDV-IZBTWGKQSA-N 712.917 6.788 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408838239 CYBBHVRPLAGWGV-VCHYOVAHSA-N 628.800 6.697 5 40 KKBB O=C1S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 408877800 YQGCKMOWZFNTEG-NHDPSOOVSA-N 549.819 7.371 5 40 KKBB O=C(N[C@@H](Cc1ccc(OC(=O)OCc2ccccc2)cc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)OCc1ccccc1 409003868 VQMGUJBEBHRKCC-LJAQVGFWSA-N 612.591 5.574 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409150329 BBCMLTPDFDEJIB-QRVIBDJDSA-N 596.459 6.228 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 409176112 HRKNYHJFGRFDCL-CFRMEGHHSA-N 596.459 6.228 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc12 409198966 MSYQOTZJRSPRMU-ODLFYWEKSA-N 512.341 5.186 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc2c(c1)OCCO2 409204403 GTDWWEXIWCEBIP-SRZZPIQSSA-N 586.376 5.064 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1C 409204769 JKOMHMQQUJJORC-MTJSOVHGSA-N 504.524 5.074 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc(I)cc1 409327752 MJSNMYIMQAFMAR-YBFXNURJSA-N 575.340 5.134 5 40 KKBB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 409331364 BTCIJRKAMLZKBM-UHFFFAOYSA-N 722.661 8.221 5 40 KKBB CC(C)(C)[C@@H]1CCc2c(sc3c2c2nnc(SCc4ccccc4)n2c2nnc(SCc4ccccc4)n32)C1 1827084 SENZRTRITAPCGU-OAQYLSRUSA-N 570.813 7.722 5 40 KKBB O=C(O[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)c1c2ccccc2cc2ccccc12 3283835 YBWYWLRNQLCQID-MHZLTWQESA-N 533.933 8.202 5 40 KKBB CC(C)[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 8449507 HROWTBLKVBYFHV-MLXIPFCNSA-N 696.348 5.251 5 40 KKBB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2-c2ccccc2C(C)C)cc1 12624619 DWQMDLHICFFXGG-UHFFFAOYSA-N 505.575 6.144 5 40 KKBB CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 57315685 MNGRLDOZAMAJOE-FMIVXFBMSA-N 508.962 5.219 5 40 KKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@@H](C(C)(C)C)CC4 100344651 ZVVNQEYLUMQHCE-ZDUSSCGKSA-N 526.644 5.138 5 40 KKBB O=C1S/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 100363124 BUOOMYDPVLSZRH-WYMPLXKRSA-N 538.412 7.141 5 40 KKBB O=C1S/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 101341702 BUOOMYDPVLSZRH-MSXFZWOLSA-N 538.412 7.141 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 103530479 CZIWASWPOFICDG-DZDVJMQSSA-N 576.008 6.230 5 40 KKBB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306314 GMNLISQBLQFJID-UHFFFAOYSA-N 586.457 5.982 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 150395124 XPWGARZDVFZCIB-FWESEHMYSA-N 686.540 5.875 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1Cl 163915993 OCQSZOSZEQNBFD-IYVASWNSSA-N 651.053 5.069 5 40 KKBB Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1Cl 224789606 CCNKZDHHJSLUQV-IHLOFXLRSA-N 599.137 8.540 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225434430 UVHYWCFIYHLAMB-HHHXNRCGSA-N 554.112 6.038 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225476666 BXRRYBJHMSQNGD-MGBGTMOVSA-N 725.239 6.456 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225626368 NOOFQUANEOQGTG-HFZDXXHNSA-N 679.623 6.136 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408565085 HQVREXIWAAZWFI-BBFXTFFKSA-N 633.326 6.398 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408634749 XFMRRQVWAQPBCK-XKZIYDEJSA-N 556.984 6.022 5 40 KKBB CC(C)(C)c1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 408637225 HUUJBFWOYUDAHU-HXUWFJFHSA-N 516.550 5.464 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408640859 JDLMYZYYOKJFJH-FTJBHMTQSA-N 646.450 5.158 5 40 KKBB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 408752753 JXCAUFZJCCAYHU-WHLOOWMUSA-N 500.554 6.007 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408770519 YLFXSXMYGCGFFF-AUPFZTMHSA-N 899.352 6.432 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC 408933531 BDRSJRGPXMETGI-FWWZVOFESA-N 724.586 5.074 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n21 408940822 CKCHNYQMXJFSDL-FCVOFCDTSA-N 757.457 6.208 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408993961 DXONPJVJOVYEIZ-JREUYWDSSA-N 689.790 6.555 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cccc(OC)c1 408996232 LRPWCGFFFALVHE-NXYYLBPMSA-N 805.501 6.956 5 40 KKBB Cc1cccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c1 409120284 UYFXYLWZKZNQIP-UHFFFAOYSA-N 506.194 6.619 5 40 KKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 409157711 WIQMTMBZXJIMRB-WSDLNYQXSA-N 534.506 5.279 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2ccccc2C1=O 409171577 ABFDTUITSGZCSB-SANMLTNESA-N 506.470 5.176 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409237849 JDZMZDGRNHKOBO-SRZZPIQSSA-N 572.799 6.086 5 40 KKBB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)s2)c1C 2655359 BLDIGLSDLIJPGW-AWEZNQCLSA-N 512.642 6.050 5 40 KKBB CCOc1cc(C(=O)n2c(C)c(Sc3ccccc3[N+](=O)[O-])c(=O)n2-c2ccccc2)cc(OCC)c1OCC 3171024 PVXXJRWOSDPPJC-UHFFFAOYSA-N 563.632 5.891 5 40 KKBB O=C(Nc1ccc(Oc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1 4896601 GXCFQNUEHPMLFI-UHFFFAOYSA-N 528.481 6.583 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(F)cc1 8437466 DZKLALZBEYYUJL-OFRYAGADSA-N 602.427 5.412 5 40 KKBB CCCC(=O)Oc1cn(CCc2ccc(OC)c(OC)c2)c2nc(CCC)n3c4ccccc4nc3c12 9124386 DMHWFPJNGIIFAQ-UHFFFAOYSA-N 500.599 5.755 5 40 KKBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 20153279 JJZKPBUTKZAQRS-UHFFFAOYSA-N 508.600 5.019 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1 22843314 FVWBQQPKQONKIA-UHFFFAOYSA-N 518.599 5.115 5 40 KKBB Brc1cc2ccc3ccccc3c2c2c1ccc1ccc3c(ccc4ccc5c(Br)cc6ccc7ccccc7c6c5c43)c12 95100334 VJKYUPBJARSTQY-UHFFFAOYSA-N 686.446 13.590 5 40 KKBB Cc1cc2c(c(SCC(=O)Nc3ccc(Cl)cc3Cl)n1)C(=O)O/C2=C/c1c[nH]nc1-c1cccc([N+](=O)[O-])c1 100211279 FGMBRFGKJHIPPU-ZVBGSRNCSA-N 582.425 6.394 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1 100363678 WYUAKJXNEBEULI-RUDMXATFSA-N 590.171 6.422 5 40 KKBB Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1C 100391811 WEONZRXQHAZNAO-UMIRYQALSA-N 552.741 5.739 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2=C(O)C1 102648866 PMCNEAFZCMADMF-MUUNZHRXSA-N 515.997 7.283 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(C)cc1)[C@@]21C(=O)Nc2ccccc21 103549902 ZJYJLYAGGWEYIV-ZALLFBGUSA-N 569.617 6.149 5 40 KKBB COc1ccc(OC)c(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 103556317 UHXKNIZXANIXRU-WLDYPGBFSA-N 601.615 5.468 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1Cl 112240591 GZJBXZOISLWHGT-UHFFFAOYSA-N 552.012 5.328 5 40 KKBB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)C1=O 135758834 IPWCZMCDXYILBT-GIJQJNRQSA-N 526.445 5.014 5 40 KKBB COc1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)n2-c2ccc([N+](=O)[O-])cc2)cc1 150427368 WOXRFKZVLSDKHG-MHZLTWQESA-N 671.736 5.785 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C1CC1)C(c1ccccc1F)=N2 150430371 FRDNQWCQWZZAKY-VZUYHUTRSA-N 664.476 6.867 5 40 KKBB O=C(C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)SC(c1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccccc12)c1ccccc1 163488239 CEIGETLNAZZYRO-UMSFTDKQSA-N 743.502 9.719 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224555487 OZIDMLKWVHDEPC-VWLOTQADSA-N 542.463 5.999 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 225082437 GDDBAMKNTJZRLR-FIRIVFDPSA-N 590.665 5.975 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C3(Cl)Cl)c(C)c2)CC1=O 408672556 VLOINKKNHQVTQC-DEWHOJGFSA-N 738.191 5.821 5 40 KKBB CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408691183 YQTKTHQYKXRJRU-GFCCVEGCSA-N 577.204 5.401 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408773752 TURGEQVZDXUZDY-QYIOYSLNSA-N 775.565 6.455 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 409057221 UWEFIFQWMMREBV-QRVIBDJDSA-N 785.354 5.539 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 409146000 PKNKNHLAPWXQRZ-QZVQSRICSA-N 707.834 6.189 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 409224414 JZWQTIQWCJQTTD-PXNMLYILSA-N 526.162 5.039 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccccc1Br 409348492 SXRRZQNFSFCPQS-VXLYETTFSA-N 562.785 5.946 5 40 KKBB COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409373307 UAQZPNBIORIMRZ-UHFFFAOYSA-N 512.031 5.329 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(Cl)c(Cl)c3)C2=O)o1 409402574 WXTHWHLSTNGBEO-LSCVHKIXSA-N 580.764 5.607 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)F 1005638 TZAWLZKPHRWXDB-GOTSBHOMSA-N 505.481 6.199 5 40 KKBB COc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2)c2ccccc12 1876681 CQUADXGXXHATCU-UHFFFAOYSA-N 513.554 5.221 5 40 KKBB CCc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 2207407 UEDAKGTUISSTLJ-UHFFFAOYSA-N 523.596 6.687 5 40 KKBB O=C(Nc1cc(Oc2cccc(Cl)c2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 3038160 HHBIIXPXAAZKSV-UHFFFAOYSA-N 594.358 7.736 5 40 KKBB C[C@@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc2ccccc2c1 3356467 HNIOSCVLAZVGCG-MRXNPFEDSA-N 540.519 7.102 5 40 KKBB O=c1c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2nc(N2CCOCC2)n1-c1ccc([N+](=O)[O-])cc1 8398403 JADNKNCNRQPYON-UHFFFAOYSA-N 562.611 5.469 5 40 KKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCc4ccc(Cl)cc4Cl)cc3c3ccnc2c31 8792439 KRAYTYIRZHXOSR-UHFFFAOYSA-N 505.357 6.495 5 40 KKBB biogenic CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](OC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)c1cccnc1 97984081 UWJZZKYOTLHWCO-XZFKAGBCSA-N 711.881 10.374 5 40 KKBB O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c2)CC1 100140453 UWLPJTWYLIAVPC-UHFFFAOYSA-N 619.000 5.464 5 40 KKBB COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5c(Br)cccc45)nc3c2)cc1[N+](=O)[O-] 100957504 LRIRBQPVJXKPCS-UHFFFAOYSA-N 577.416 6.454 5 40 KKBB O=C(c1ccccc1)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccco1 102527541 OMNFCTJKSGXYMP-ONOMSOESSA-N 505.530 7.052 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N(C)C(c1ccccc1F)=N2 102940498 DONOBNPTIHBQLS-FAIXQHPJSA-N 559.542 5.572 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3c4ccccc4cc4ccccc34)c2=O)=N1 103827598 WSXMNRMNIYBDIR-UTAOYMJKSA-N 592.717 5.902 5 40 KKBB O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 104656022 XMIFRCKGZUGQEN-HRIDGTDGSA-N 610.489 6.249 5 40 KKBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1 109584465 KBWWUFNJIXBQHI-UUILKARUSA-N 522.970 5.982 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222799397 PCFJSJUNBNZSLY-YTTGMZPUSA-N 707.647 5.965 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225011939 BXFKDNPTDLPERZ-VWLOTQADSA-N 538.442 5.065 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)nnc2-c2ccccc2O)c(C)c1 408545000 LGJUMPQOMNPZIS-UHFFFAOYSA-N 544.420 6.203 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 408565372 JZOBSECKBNTFIC-GVPYKBAUSA-N 516.356 5.280 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1 408639913 GSCLYKBXEVPMOA-UHFFFAOYSA-N 532.723 5.091 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1 408640065 HDRJSVBEKVQOBL-QKCPIRFBSA-N 686.546 5.935 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 408785827 ZSJXBTIANSVWSI-POKSHJSXSA-N 649.656 5.202 5 40 KKBB COc1cc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408805246 FIJGDTGAIHFSPP-UHFFFAOYSA-N 510.979 5.907 5 40 KKBB Cc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408843708 MTEQXGMMAZGURC-UHFFFAOYSA-N 505.939 5.672 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 408938725 ABJFBHNBKCROCJ-UNDLXJOSSA-N 641.105 6.094 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408997543 RRECZVUMDGIYMN-QZVQSRICSA-N 742.673 6.907 5 40 KKBB O=C(Nc1ccccc1I)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409083675 OKZGNFUIPXCPGG-UHFFFAOYSA-N 571.374 7.334 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4cccc5ccccc45)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409181983 HHLCRGWAJCPIJL-HAWPWTPLSA-N 642.737 6.171 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1 409182008 HLDFFYCYVIEAQN-HXUWFJFHSA-N 519.691 5.700 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)Nc1ccccc1Cl 409221175 LYSBBGLIFHRADR-WSDLNYQXSA-N 602.850 6.265 5 40 KKBB O=C1Oc2c(ccc3ccccc23)C2=C[C@H](c3ccc4c(c3)OCO4)[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]3[C@H]12 409337213 YSUFMSKLONSPPO-TZQPNWGHSA-N 594.963 5.652 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409372174 LWLSMDJPYJRKQU-UHFFFAOYSA-N 547.571 6.843 5 40 KKBB C[C](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(OP(=O)(Oc3ccccc3)Oc3ccccc3)[C@H](C)[C@H]12 1560411651 FSRDRRQXLQVILL-ZYKLXPEUSA-N 593.505 5.533 5 40 KKBB Cc1ccc(NC(=O)CSc2nnc3c4sc5nc(C(C)C)c6c(c5c4ncn23)CCCC6)cc1 1253238 CWZRGJLPEDDNFW-UHFFFAOYSA-N 502.669 5.929 5 40 KKBB COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 3006589 ZRVZCCQOROHERS-QHCPKHFHSA-N 512.946 5.093 5 40 KKBB O=C(COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 3248028 QHHNHGMTJPUTPL-UHFFFAOYSA-N 530.307 7.111 5 40 KKBB COc1cc([C@H]2c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3N=C3C(O)=Nc4ccccc4N32)ccc1OC(F)F 3309683 IDANWEMDIXPLAT-QHCPKHFHSA-N 546.490 5.940 5 40 KKBB Cc1ccc(-c2nc3ccc(Cl)cc3c(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 100396996 BJXSXIOQUSNGFX-UHFFFAOYSA-N 566.997 7.912 5 40 KKBB CC(C)C1=C[C@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@H]13 100749857 BHKWBTATPFLOTL-NMZOAHERSA-N 520.626 5.610 5 40 KKBB O=C(Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2)c1ccc(Cl)c([N+](=O)[O-])c1 101006942 ANFSMRLUCISXRA-HXUWFJFHSA-N 525.327 5.941 5 40 KKBB Cc1cccc(C)c1OS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)Oc3c(C)cccc3C)ccc12 102415326 UVFKFXLPFRMWHZ-UHFFFAOYSA-N 564.637 5.715 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 103547504 ITCOWSBAYTXBHQ-OVDFTCDZSA-N 547.592 5.512 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 106703458 DMVXWXVBMOUYPU-QRVIBDJDSA-N 504.520 5.368 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C 106728915 QRTIOVARYUEQAM-YSMPRRRNSA-N 561.616 5.981 5 40 KKBB CCCCCOc1ccccc1[C@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2)N1C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 150352101 KLAXDZYINVRTAJ-MMVYQHLUSA-N 656.761 5.960 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c2=O)=N1 163449716 ZLLZBSSELSWIHH-QQMBNGEASA-N 765.639 7.082 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1NC(C)=O 225328954 NMKMFGJSWYSRSM-CLJLJLNGSA-N 529.578 5.394 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225536785 RCJOEHYVQVLTEY-WJOKGBTCSA-N 679.195 5.455 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408564832 FYKRIOHMDMBBFZ-SAWAIYNCSA-N 513.594 5.027 5 40 KKBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408647790 VPHNOVLMKUOZCH-HHLQZUTDSA-N 682.127 5.290 5 40 KKBB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC1=O 408652091 OHQUEIBOHBFMQN-JOCHJYFZSA-N 516.550 5.291 5 40 KKBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)cc1[N+](=O)[O-] 408664688 JMONXGHZJSGPOE-UHFFFAOYSA-N 570.396 5.749 5 40 KKBB Cc1ccc(C2=N/C(=C/c3cc(Br)ccc3OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)C(=O)O2)cc1 408839495 TVTIDXIGYITWIR-YBFXNURJSA-N 597.830 7.098 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408976789 TYMFFSKGXCPSAG-VQMDLGMUSA-N 710.812 7.230 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409084548 XLUYWMIJXCFRJG-ZWTBYVTRSA-N 668.522 5.136 5 40 KKBB Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c(C)c1 409183457 SHVQJXQYOOJFPM-MUUNZHRXSA-N 534.524 5.793 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 409259499 ZTUDCTXEUQPKKD-SSDVNMTOSA-N 726.286 6.302 5 40 KKBB Cc1c(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1Cc1ccccc1 409269323 BFRNHVWQLHUIGZ-YSMPRRRNSA-N 511.559 5.825 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409272980 OUEZJIIJBXHBCU-FOKLQQMPSA-N 555.515 5.136 5 40 KKBB CCn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409364291 XDUCRAGCXOOKFK-UHFFFAOYSA-N 543.820 5.078 5 40 KKBB Cc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)c1 9720438 NZHOLOUWOHZTAR-GSSZYLCVSA-N 502.659 5.882 5 40 KKBB COc1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C(C)(C)C)C3)c(C)cc1[N+](=O)[O-] 12540482 XQPDKRXYNITUPC-QGZVFWFLSA-N 505.571 5.407 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)C(c1ccccc1)c1ccccc1 103628855 FMAFGOOKUCORQL-WWIWEHRJSA-N 560.654 5.591 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSC(=S)N3CCCC3)cc2s1 103881237 MJEPKDMHJSXELK-UHFFFAOYSA-N 534.710 5.558 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 150363273 FQORPOTYDJXCGX-SLZKQOKCSA-N 661.692 5.152 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 150394883 MAGQYYIWHNOGBQ-ATSBRCBQSA-N 664.498 6.550 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 150395570 LWLPWJZQAWOHQO-KUSDHMTMSA-N 653.738 5.834 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223451035 NRPWQTKGVXHFAT-JADSYQMUSA-N 686.831 5.970 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224497285 FXOBJUUFZTUYKC-SANMLTNESA-N 574.530 6.301 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4)o3)cc2)cc1 224785683 IAAPTYNSLMHDJV-WDYNHAJCSA-N 550.665 7.578 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 247343242 SUUWPAJIUSSOMG-YGGCMVMVSA-N 576.008 6.104 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 260988858 CHIOVEUWMAFJQI-JGCGQSQUSA-N 642.778 5.653 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1cccc2ccccc12 408569100 IVADRJQPVRLOPK-GDLZYMKVSA-N 558.635 6.956 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408682128 IXTCFASPLVJSCX-HCXPYDJZSA-N 563.997 5.698 5 40 KKBB CC(=O)Nc1ccc(N2C(=O)c3cccc4c(-c5ccc(Br)cc5C)c([N+](=O)[O-])cc(c34)C2=O)cc1 408757240 LHGBUNAOMHSWEB-UHFFFAOYSA-N 544.361 6.245 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n21 408947840 JVIOIKYLOHVEAB-ZFWDJNJRSA-N 672.941 5.780 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408982376 DKAUGXXWCFGWPQ-PEPUGYCWSA-N 899.501 6.641 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c1 409157647 WFDYJYUPBAXQQX-WSDLNYQXSA-N 523.592 5.869 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 409192876 FMOQOEZAYQWBNU-NULZLWRNSA-N 735.675 6.831 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 409269075 DOZARSFQAXYVAU-FMCGGJTJSA-N 553.980 5.511 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C 409360660 BTDVBUKWVKOTRN-FQEVSTJZSA-N 551.456 5.371 5 40 KKBB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 409388504 DBVKDSDUNXUXTN-UHFFFAOYSA-N 514.394 5.804 5 40 KKBB Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)c(C)c1 1874139 BDDQCWPLLWNVNF-PMERELPUSA-N 553.626 7.501 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 6501243 UHGQCXBJESHKCT-KNWZFJHESA-N 506.558 5.701 5 40 KKBB COc1ccc(CCn2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)cc1OC 9124280 FXDJOWVGQPXUGD-UHFFFAOYSA-N 500.599 5.782 5 40 KKBB COc1cc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c(C)cc1[N+](=O)[O-] 12542077 GTLZCKAEXCVIIQ-UHFFFAOYSA-N 511.943 5.637 5 40 KKBB O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1 20153232 ZJWZDZATDPNVBA-UHFFFAOYSA-N 514.991 5.118 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@@]21C 68568938 MCSXGHLTXBACQB-NYVQZETDSA-N 535.769 9.162 5 40 KKBB Cc1ccc(-c2csc(NC(=O)CN3CCN(C(=O)c4sc5cc([N+](=O)[O-])ccc5c4Cl)CC3)n2)cc1 97948178 VYBJVJCITQATKH-UHFFFAOYSA-N 556.069 5.291 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(CCC(c3ccc(Br)cc3)=NN2c2ccccc2)S1 97951226 ZEYMCSLPTCRGRN-VWLOTQADSA-N 550.438 6.172 5 40 KKBB Cc1ccc(Cl)c(OCc2ccc(-c3nc4c5sc6nc(C(F)(F)F)cc(C)c6c5ncn4n3)o2)c1 98046183 QCJBPRYLEDAVHF-UHFFFAOYSA-N 529.931 7.015 5 40 KKBB CCc1cccc(CC)c1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 101775758 GPOYZHQMDUDALG-UHFFFAOYSA-N 532.018 5.216 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1ccc([N+](=O)[O-])cc1Cl 102474441 UMJLIRSNNFPNOQ-XCVCLJGOSA-N 564.166 6.376 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n31)c1ccccc1CC2 104654911 KLZBPPZKQZJNAX-JLHDDXNDSA-N 561.619 5.496 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105305836 PANKJNMAQZOZNQ-UHFFFAOYSA-N 543.649 6.445 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 150395096 LZEFUBDXTGGHDG-LLXISZFLSA-N 635.673 5.562 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150395647 DIGHEOFVVWMKMO-WGJPBTIMSA-N 667.696 5.130 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214038349 BIWZQUPPZCFLNU-WSDLNYQXSA-N 507.480 5.540 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223805198 XZDBLHBAMWPDPM-ZBLYBZFDSA-N 598.563 6.145 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224295932 JPKCFOUOSJPTTD-WJOKGBTCSA-N 663.196 5.998 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224453018 LPAFEUOXTDWGNS-QHCPKHFHSA-N 538.497 6.001 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2OC)o1 224585089 NVVCWFRSIYVAGH-RPBOFIJWSA-N 502.552 5.444 5 40 KKBB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1nccs1 224764221 MNTKJBWPDVHWEN-SVBPBHIXSA-N 584.752 7.182 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225041070 WGDFCXQWTUWZEC-SSEXGKCCSA-N 606.745 5.355 5 40 KKBB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 225674934 BBIHSPNOPFMDCM-RRPNLBNLSA-N 543.605 5.260 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 226692307 IUOCEGXTSMACIT-VVHYXOSJSA-N 602.646 6.784 5 40 KKBB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 245333842 BCZNXSTYRXQCQO-OSCFFGAZSA-N 506.558 5.701 5 40 KKBB CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@@H]2OCCCN2Cc2ccc(Cl)cc2)C1 253578751 YSNWTCJFVGOANO-IDISGSTGSA-N 515.054 5.254 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260962765 ZAVHUZLBDLOHDO-UUWRZZSWSA-N 723.679 7.186 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 261052304 MGYVPRWQVNFDRX-DCFHFQCYSA-N 665.596 5.231 5 40 KKBB COc1cc(CNc2ccc(Br)c(Cl)c2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408554923 FEKOROVUHGEZQT-UHFFFAOYSA-N 657.608 8.047 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 408568590 IBGDFCIQIKDTIF-AREMUKBSSA-N 538.601 5.811 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 408571097 NMQMULBPLUQIGX-VWLOTQADSA-N 559.475 6.970 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 408571302 OHRHREQIVVQEAN-RUZDIDTESA-N 668.397 7.741 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408632327 DKHKWADCGMKMCP-BKUYFWCQSA-N 526.958 6.013 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(Cl)cc1Cl 408644095 QRIVPLADYCHZBT-UHFFFAOYSA-N 636.058 7.052 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408753322 NVHQYPFRKYDZHC-FUFNRSNVSA-N 638.098 5.417 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408765936 BXFXVQHPBZZLMW-ZTJHJZSNSA-N 694.560 5.065 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 408778469 UXHNMGVJGFOQPW-IZBTWGKQSA-N 719.433 5.872 5 40 KKBB O=C1OC(c2ccco2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408839242 PGPFLQZIYHBSPU-OQLLNIDSSA-N 573.764 6.382 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 408857762 PUQGAXXDFSDQMH-DDBFQISPSA-N 606.660 5.441 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 408919681 BIPOFBKRXGCHRL-SUAMDDGLSA-N 589.695 5.385 5 40 KKBB O=C(Oc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(COc2ccc(Br)cc2)cc1 409177506 BMBJZJRMLYLRBI-UHFFFAOYSA-N 520.335 6.948 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(CNc3ccc(Cl)cc3)cc2Br)cc1 409179492 PBUFXQUDDUMMNL-UHFFFAOYSA-N 526.612 6.964 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409196820 ZDBPUROOWKTLOU-AUEPDCJTSA-N 632.876 6.273 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409274448 WWWMYJASEUTVSW-GOQPZEPVSA-N 668.772 5.097 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409277087 YWCCNZSKHVITFF-AUEPDCJTSA-N 555.515 5.136 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409328169 PQAMOMUDEVDQLK-MTJSOVHGSA-N 599.419 5.618 5 40 KKBB COc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)cc1[N+](=O)[O-] 409337842 XJOBCNZLLNEQTP-UHFFFAOYSA-N 564.645 5.230 5 40 KKBB O=C(COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl)Nc1ccccc1F 409384088 AIDKBXRBEAVUKU-UUYOSTAYSA-N 541.944 5.641 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 2322508 ARFPDNHPVKDBPQ-CILKRHGOSA-N 541.563 5.451 5 40 KKBB Cc1ncsc1C(=O)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 8455419 ATLXYDPAHQITJW-AFTIPQHOSA-N 503.540 5.705 5 40 KKBB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](C[N+](=O)[O-])c1ccccc1 8739523 VAMMHMBTLSBKCE-FNHUQLNKSA-N 507.652 8.152 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274760 SRHVXTBSLXTAJN-UHFFFAOYSA-N 505.531 5.269 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 38205180 CGSFBXDSQQPERV-JDOSTQSUSA-N 520.416 7.584 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc(F)cc2)n1-c1cccc([N+](=O)[O-])c1 100870381 DASMNXDABLXQOT-IZZDOVSWSA-N 513.266 5.208 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 101057320 ANFIHVDJMCYAMB-UHFFFAOYSA-N 547.372 6.195 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 214416786 IBFXBQGLJWCHNV-AUEPDCJTSA-N 545.400 6.726 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223912757 PFUKQJBHZUIHAV-NIYFSFCBSA-N 542.463 5.999 5 40 KKBB O=C(c1ccccc1Cl)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 247302661 FKWLUXZNSYSCKD-LUIYPFIDSA-N 576.008 6.230 5 40 KKBB CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 253656161 UEFHFKKWYKVLDC-XTZSAOEUSA-N 941.088 6.433 5 40 KKBB investigational O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408650046 ZDWCRCRHJOUDGP-UHFFFAOYSA-N 687.275 6.964 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408779731 JEGRYJISVJPFBW-NFYDWNOTSA-N 713.494 5.317 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 408996151 OIPQRZZTRHCHKJ-WGJPBTIMSA-N 821.569 7.670 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409038857 VZNIAQLOJIQDEW-QEEORQGDSA-N 756.617 5.543 5 40 KKBB O=C1/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)NC(=S)N1C1CCCCC1 409079526 GKGHRSRCUAWZNZ-NDENLUEZSA-N 689.313 5.773 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1 409161257 LNFQPBCTIYDYSX-SELCLYCASA-N 694.795 5.357 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409163426 RFVFWZBEKJNENZ-OAQYLSRUSA-N 565.483 5.679 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409163475 SAXDXORKEZTFRH-BHGWPJFGSA-N 657.013 5.809 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccccc2)OC1=O 409188909 CDVUDUULBYKBQM-SOFGKXIESA-N 598.203 6.083 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)ccc1Cl 409198164 YUCNGTVNBAMFCK-QRVIBDJDSA-N 611.032 6.067 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)o1 409331488 NIYSILHRZPKXNO-YDZHTSKRSA-N 521.551 5.662 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409374449 PUVVRDAONMZPQX-FSJBWODESA-N 592.586 5.904 5 40 KKBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OCc3ccccc3)ccc12 2094270 ZLNJVIKFWHLMLD-LJAQVGFWSA-N 562.578 5.879 5 40 KKBB biogenic Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(C(F)(F)F)c(Br)cc2Br)cc1[N+](=O)[O-] 2771232 SDZWAUAAAOENKG-UHFFFAOYSA-N 527.047 5.608 5 40 KKBB Cc1cc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)cc2)ccc1[N+](=O)[O-] 3265931 FCGKXYRCPLMHDP-UHFFFAOYSA-N 512.474 6.225 5 40 KKBB C[N+](C)(CCCCCCOc1c(Br)cc(Br)cc1Br)Cc1ccc(Br)o1 5492673 MTVJDRPZFGCKST-UHFFFAOYSA-N 618.022 7.545 5 40 KKBB Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)ccc2o1 14274764 FVAMGWURVZZTEJ-UHFFFAOYSA-N 501.568 5.438 5 40 KKBB O=[N+]([O-])c1ccc(Sc2cccc(S(=O)(=O)c3cccc(Sc4ccc([N+](=O)[O-])cc4)c3)c2)cc1 59101034 FXOQOEHJDHUKHU-UHFFFAOYSA-N 524.601 6.638 5 40 KKBB C[C@H]1N(C)c2cc(NC(=O)c3ccc(F)cc3)c([P@@](=O)(Nc3ccc([N+](=O)[O-])cc3)N3CCOCC3)cc2C1(C)C 97984802 XARKRFDPAWSMRI-DVDOHLQOSA-N 581.585 5.365 5 40 KKBB O=C(c1ccccc1)c1ccc(SCCOCCSc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 100985039 RTTZQDGNJJMLQP-UHFFFAOYSA-N 588.663 6.866 5 40 KKBB C[C@H]1[C@H]2CC[C@@H]3[C@H](C=C[C@H]4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@@]43C)[C@@H]2O[C@@]12CC[C@@H](C)CO2 102812779 ULNDHEVVJSRKCY-IHQMGBMBSA-N 509.643 6.317 5 40 KKBB O=C(Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCCCC1)c1ccc([N+](=O)[O-])o1 102956495 SBQBIFJNRNVVGO-UHFFFAOYSA-N 539.397 5.538 5 40 KKBB CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OCc5ccccc5)c(OCC)c4)[C@H]3C2=O)cc1 102974280 XFILOKFZRPTWTH-WRVRXEDSSA-N 623.662 6.412 5 40 KKBB COc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 106739387 WIMOFHKGLKWGDG-NVNXTCNLSA-N 528.178 5.365 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(-c2ccc(Br)cc2)o1 112244938 FGVDJSGCRWZLIY-UHFFFAOYSA-N 583.386 5.473 5 40 KKBB O=c1/c(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 163770493 LTYJFFLJOAFIGK-DBHVVYFFSA-N 684.999 7.222 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214653987 PZIXRHQHJYFDFD-WSDLNYQXSA-N 573.505 6.090 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224415159 REGMPSNPWRTHJP-SANMLTNESA-N 584.536 5.757 5 40 KKBB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1cccnc1 224763673 RIRLOZZJBNJBCO-FIRIVFDPSA-N 592.750 7.180 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225049656 WIPZYJXJNOPRHM-WJOKGBTCSA-N 650.798 5.672 5 40 KKBB O=[N+]([O-])c1cccc(NCc2cc(Br)cc(Br)c2OCc2ccccc2F)c1 408558535 RQNZJXRUFNXLCH-UHFFFAOYSA-N 510.157 6.450 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12 408566817 OYWXSGZYCTZSON-OVIZOQQBSA-N 614.496 6.244 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 408568795 UPPGNJFRJGZCEK-KIHBTMOLSA-N 532.811 5.794 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408570212 ZVRLTIVRHNKMON-UYDITSSVSA-N 586.870 5.602 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1C 408575975 XCHIEXGVBBKNNW-RUZDIDTESA-N 527.021 6.674 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 408576679 YBCBIGYWVSJKRW-RUZDIDTESA-N 601.498 6.874 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408640376 AXBRQNYFPTZWNY-CPAHJZNRSA-N 636.444 5.392 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 408702355 DQFVRZGFCWBGJR-UHFFFAOYSA-N 549.936 5.177 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733791 RDKTYAGPVAKFQE-QUNTYYFUSA-N 664.523 6.842 5 40 KKBB O=C(Nc1ccc2nc(SCc3cccc4ccccc34)sc2c1)c1cccc([N+](=O)[O-])c1C(=O)O 408751200 XQGOABLNVYKVTE-UHFFFAOYSA-N 515.572 6.601 5 40 KKBB Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c(C)c1 408840702 ZVYXRFKXALKMNM-UHFFFAOYSA-N 519.966 5.980 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408942881 RWDSZDRZLATGFZ-NBQDTTAVSA-N 736.641 6.234 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1cccc(OC)c1 409002576 VFHXDXPMUQDNSU-CTIXHBHKSA-N 758.856 7.977 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036447 LHAFVHAVFZZOLG-BQCQJZCVSA-N 796.649 5.007 5 40 KKBB O=C(Nc1ccc(I)cc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409080484 ICTDCJLJXXBPCE-UHFFFAOYSA-N 571.374 7.334 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 409095436 BFAWWFFQNUDUMP-ZPMAPHDVSA-N 686.787 5.007 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409106157 MIIXWSZCISPIQM-UFFVCSGVSA-N 579.425 5.323 5 40 KKBB COc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 409119588 QDKOVYIQTWWURP-PGUFJCEWSA-N 733.446 9.613 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409142703 CVPODZYTDKVAGR-WGJPBTIMSA-N 694.839 5.732 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(F)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 409179055 PRMJZYQTUHSYHZ-BMPBIMJCSA-N 648.690 7.540 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 409194119 OCUPNUQXTMASHB-FJNIOPPGSA-N 810.152 6.949 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409349170 RPMFZIXKBCVMQA-WQNUKSJVSA-N 757.457 6.128 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NCc1nnc(SCC(=O)Nc2ccccc2Cl)n1-c1ccccc1 812996 IQRYXTMWOYMUOZ-UHFFFAOYSA-N 508.991 5.480 5 40 KKBB CCCCCCn1c(COc2ccccc2F)nnc1SCc1cc(=O)oc2ccc3ccccc3c12 3355036 XGQALQYFHMJYPH-UHFFFAOYSA-N 517.626 7.128 5 40 KKBB COc1ccc(CSc2nnc3c4c5c(sc4n4c(SCc6ccc(OC)cc6)nnc4n23)C[C@@H](C)CC5)cc1 8432396 ARQAWDFEMGZFEC-KRWDZBQOSA-N 588.784 6.713 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 8899328 KVHGEELQYBEFRH-UHFFFAOYSA-N 506.946 5.762 5 40 KKBB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(ncn5c(SCc6ccc(Cl)c(Cl)c6)nnc45)c23)CO1 53307099 LYPUOHZBMUDOOK-UHFFFAOYSA-N 587.558 6.174 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(CSc3ccccc3)cc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 59881864 UHMROBQCJFJHFG-UHFFFAOYSA-N 591.711 6.347 5 40 KKBB Cn1cnnc1Sc1ccc([C@@H]2NC[C@H](c3ccc(Cl)cc3Cl)c3c2[nH]c2ccccc32)cc1[N+](=O)[O-] 97982285 AVDHCTSNRUJZTD-KOSHJBKYSA-N 551.459 6.487 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)cc2[N+](=O)[O-])cc1 100370040 DGUWWBKFMHKXOS-XKZIYDEJSA-N 584.473 6.492 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105313276 UPSRDHAKFWYHLH-UHFFFAOYSA-N 586.073 7.327 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223656393 WBZYZIQMWSVMLY-ZBLYBZFDSA-N 537.657 5.522 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224267088 ZMPWUXNRPORPPE-JGCGQSQUSA-N 727.667 6.580 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224324318 HRAYYZFSGLBQLM-SANMLTNESA-N 554.112 6.036 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc(Cl)c3)cc2)cc1 224766808 MEAAROIYIIYQQS-FQLXRVMXSA-N 584.126 7.762 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1OC 225200680 LVYTXYIUZQALTF-WUFINQPMSA-N 573.631 5.793 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 225381759 DBHCJQIQGWBFNA-VMPREFPWSA-N 556.644 6.757 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225585262 JBBHJHZFOJTOKY-WJOKGBTCSA-N 679.195 5.455 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cc(C)ccc2C)o1 225638305 GVCDZKWCEHVJJJ-VMPREFPWSA-N 571.659 5.877 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260847059 CONZQKAXLOIOQB-MGBGTMOVSA-N 676.767 5.411 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 260985953 BRSHHTMMSBDDHM-DCFHFQCYSA-N 665.596 5.231 5 40 KKBB CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 408649558 LGARGYAHOWSVMN-LJAQVGFWSA-N 698.728 7.711 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729651 HOAZGZBRRUGNGX-PNQAETMRSA-N 696.694 5.462 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c(=O)n32)cc1 408854636 AMNLVUDQAIVKAC-HZHHUVPKSA-N 677.695 5.881 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1C 408928545 BZAFDSPZRIHKSL-ZVHZXABRSA-N 517.563 5.466 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1C 408930238 UNILTXAOZRPYJU-ZVHZXABRSA-N 517.563 5.466 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1CCOc1ccccc1 409053622 NRCFKEHEBLCMMF-HAHDFKILSA-N 510.955 5.943 5 40 KKBB O=C1N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1cccc(Cl)c1 409064154 BUTYLAFPCKWJCC-KEBDBYFISA-N 701.642 6.134 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccccc1F 409107356 RCODUVMSSSYTOW-CIAFOILYSA-N 526.318 5.168 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1cccc(Cl)c1 409151412 BENXAAWYKHIYKD-VXLYETTFSA-N 518.334 5.837 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409167616 JJFCTVYPEZXWRA-YDZHTSKRSA-N 598.431 5.620 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O 409254894 JPJRQDSNYKHWBU-WYMPLXKRSA-N 628.457 5.629 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2cccc(Br)c2)n1-c1ccccc1 3663806 MNOXVDRGTYOIBX-UHFFFAOYSA-N 521.318 6.775 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nc2c1 16610930 MWYBFSRKWYVFCR-JIIJFUIFSA-N 500.580 6.443 5 40 KKBB C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5 53337928 JKNVZNKSHVHYKG-IBGZPJMESA-N 564.740 6.273 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)c(C)c1 59331866 VOJXLHVFEQTMHV-UHFFFAOYSA-N 524.581 6.304 5 40 KKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)NCCc4c[nH]c5ccccc45)cc3c3ccnc2c31 70708114 XNSKADRNRJEWKZ-GOSISDBHSA-N 560.610 5.217 5 40 KKBB biogenic CCCCC1=C(C)c2nc1cc1[nH]c(c(C)c1CCCC)c(-c1ccccc1)c1nc(cc3[nH]c(c(C)c3CCCC)c2-c2ccccc2)C(CCCC)=C1C 79204289 LISBPYQZNDUKFF-UHFFFAOYSA-N 743.096 15.193 5 40 KKBB biogenic COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)c2ccccc2C)C1=O 100947362 ZNPUNYMULKQAQG-PMERELPUSA-N 577.597 5.127 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105308056 SSNMKQWSVBNRDU-UHFFFAOYSA-N 521.986 5.783 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112244219 ZVNHESYVIOMXBS-UHFFFAOYSA-N 582.436 5.129 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214805003 PSENBJGZAAYZIE-FOKLQQMPSA-N 590.397 7.237 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223379745 RSTBWDRPYBNXTO-HHHXNRCGSA-N 645.178 5.483 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223568293 UERJVTQZCKVEHQ-OGVWKLGRSA-N 741.694 6.969 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223967722 ZXPOJHPZPWJOEC-DWACAAAGSA-N 549.693 5.391 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccccc3)cc2)cc1 224780590 AHOSQXCOPVHMMC-VMPREFPWSA-N 549.681 7.109 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225544844 YBDUMSSYRFBSBI-FQEVSTJZSA-N 651.569 5.356 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc2ccccc12 225716325 VPKSAFPUYOCUMR-KYJUHHDHSA-N 563.639 6.404 5 40 KKBB CCCCOC(=O)CCCC1(c2ccccc2)C23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C713 248153864 HNCPPCRVHRTKBD-UHFFFAOYSA-N 952.983 19.759 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1Br 248243446 KHLJOYIAPCVLOW-GGVMLGSCSA-N 650.485 6.348 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261092362 UFZVKGGUJJZBCZ-JQJBXXCASA-N 741.694 6.969 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1 408569867 JZSXIBCTRPQHGN-QHCPKHFHSA-N 591.434 6.314 5 40 KKBB COc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408609013 NKJNAJUSWBIFLS-UHFFFAOYSA-N 549.702 7.582 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408638281 QSYDSXGKCXBPIB-RUZDIDTESA-N 602.599 7.112 5 40 KKBB O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccc([N+](=O)[O-])cc1 408661313 QMOKLRISHNUBLJ-HCOICLPRSA-N 593.463 5.792 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)S2)cc1 408785338 YMORRBWCVMYUHD-QDNAUZDWSA-N 574.884 6.752 5 40 KKBB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 408818395 VJPQZWCHMQVLQQ-QLWQEFQNSA-N 523.034 7.562 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408826197 CIPQOEVRTREGRJ-DKOMQPSQSA-N 848.819 6.848 5 40 KKBB O=C1OC(c2ccccc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408840892 CWBLTYZVCLTLED-WOJGMQOQSA-N 583.803 6.789 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)cc2)n2c(s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 408919760 CANBUZJXEGRXPW-PECNEJNESA-N 653.764 6.402 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5cccc([N+](=O)[O-])c5)c(I)c4)c(=O)n32)cc1OCC 408933166 IAIWPYJDAPJPPK-MKTOWPBFSA-N 867.456 5.512 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409038528 VXVJXFBWAWOQAU-UPWSPCOFSA-N 638.098 5.416 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccc(Cl)cc1Cl 409151608 HJTASVBYAKXXGZ-UHFFFAOYSA-N 535.438 6.034 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)ccc1Cl 409155547 JCJSCIAAVVRRKC-DHRITJCHSA-N 655.041 6.581 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409167730 JLUSXHWRAKLRCY-NRFANRHFSA-N 565.483 5.679 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)c(C)c1 409179246 QRXOBDZUOXGSHM-FOKLQQMPSA-N 650.429 7.460 5 40 KKBB Cc1c(C(=O)NS(=O)(=O)c2ccc(NCCN3CCOCC3)c([N+](=O)[O-])c2)n(CCOc2ccccc2Cl)c2ccc(Cl)cc12 585274028 YQHBSUSHNSUQLL-UHFFFAOYSA-N 676.579 5.107 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCSc2nnc(-c3ccccc3)n2-c2ccccc2)CC1 8426072 GYQWJVMFMMEPQR-UHFFFAOYSA-N 554.598 5.776 5 40 KKBB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)ccc21 12546988 XPZZEIRFZVBSPB-FQEVSTJZSA-N 528.609 6.143 5 40 KKBB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1Cl 14277417 ZXBWPKWIHSXDMV-UHFFFAOYSA-N 507.201 5.553 5 40 KKBB CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3n2)cc1 21595704 DDPFULOMCQKZJF-UHFFFAOYSA-N 514.586 5.524 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 101834400 YRUCXOYORNPTPK-ZXSNDDASSA-N 566.458 5.186 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=C(O)C1 102643657 WRPCOLHQYDGRIH-JGCGQSQUSA-N 547.611 7.890 5 40 KKBB Cc1nn(-c2ccccc2)c(O)c1C(c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1c(C)nn(-c2ccccc2)c1O 103114999 QTKVCXDFDXUXPC-UHFFFAOYSA-N 601.619 6.394 5 40 KKBB O=[N+]([O-])c1cc([C@@H](Nc2ccccn2)n2nnc3ccccc32)ccc1Sc1nnc(-c2ccccc2)n1-c1ccccc1 103763805 XKLNLHLFTPOXHM-PMERELPUSA-N 597.664 6.792 5 40 KKBB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3c(ccc4ccccc34)N21 103901148 QHFYVXFTSTVDLU-AOGFTHLWSA-N 549.970 5.674 5 40 KKBB CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1 118912531 GVEAYVLWDAFXET-PFYUSALOSA-N 572.875 6.111 5 40 KKBB Cc1ccc(-n2c(C)c3c(c2C)[P@](=Nc2ccc([N+](=O)[O-])cc2Br)(N2CCOCC2)N(c2ccccc2)N=C3)cc1 150480640 ADFFHNWMJNMECF-RWYGWLOXSA-N 633.487 7.248 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222675772 NYSJXIMTZUPVGZ-SANMLTNESA-N 508.018 5.203 5 40 KKBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222947073 INWGWKQIYDTHBD-OAHLLOKOSA-N 512.459 5.467 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)o1 223994165 WODVRCSOQNNLPJ-UIOOFZCWSA-N 529.578 5.394 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)o1 224687797 BUVCVSMGJBHIIP-CONSDPRKSA-N 578.650 7.536 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(Br)cc4F)o3)cc2)cc1 224788529 XMZYJTOLFHJGQV-FQLXRVMXSA-N 647.551 8.480 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224935765 XQOUZHWSNVZBEU-HKBQPEDESA-N 632.714 5.094 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225207857 BBINSJGFGNEPJD-MHZLTWQESA-N 631.151 5.094 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@]12[C@@H](c1ccccc1[N+](=O)[O-])[C@@]21C(=O)N(c2ccc(C)c(C)c2)N=C1C 248170723 VSDLASVYIBIOBW-KKIVPZFCSA-N 535.604 5.744 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408557291 MHYFCAPDTHCUGI-UHFFFAOYSA-N 566.264 5.429 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 408569628 JXXMMYWDKJZRJQ-DEOSSOPVSA-N 528.993 6.066 5 40 KKBB CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1 408583715 WYSMWDCKPVJLAV-UHFFFAOYSA-N 586.265 6.993 5 40 KKBB O=C(Oc1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408665388 OXEJHYHSOILNOW-NSHDSACASA-N 609.205 5.968 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408755820 FYNQXXUXQARGAS-YVBHXKDBSA-N 689.385 7.012 5 40 KKBB O=C1S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccccc1 408811255 AOEKSMZQGGDFOF-NDENLUEZSA-N 545.798 6.831 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408851141 VOTXUONZLJYFKX-PRLWALMFSA-N 587.654 5.062 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408936837 IQEUWKISDANQPB-MRWVFDTMSA-N 692.190 6.125 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408944332 VDIPXJJBJKNSHR-QQMBNGEASA-N 688.715 5.593 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n21 408949195 SDLDOLXHMRLBCF-QUNTYYFUSA-N 678.561 5.445 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccccc5Cl)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408956801 ZQSVAOAAVXSQCR-ILLSWNIOSA-N 729.005 5.719 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 408986864 NLSORQQKYHCPTN-PLNPHXOGSA-N 682.154 6.085 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409099962 SENRBMHICLIWQO-JLKMOJGBSA-N 644.775 5.180 5 40 KKBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409198026 UXJYRMTUJNZVSK-LPKQHDGYSA-N 549.399 5.314 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409220323 WUDQATQPQVYHBP-AWQFTUOYSA-N 558.931 5.258 5 40 KKBB O=C1S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1c1cccc(Cl)c1 409276825 WVBICONURNKSNP-UKWGHVSLSA-N 599.768 8.063 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 409276906 XVSSLGPOKOWWIJ-KEBDBYFISA-N 532.361 6.145 5 40 KKBB Cc1c(Cl)cccc1-n1c(SCc2cc(=O)oc3ccc4ccccc4c23)nnc1-c1ccncc1 3365699 PQANPKDEMHWOEK-UHFFFAOYSA-N 511.006 6.843 5 40 KKBB CC(C)(C)C(=O)Nc1cc(C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc(C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 4179367 DPGNDAKMYIWFOT-UHFFFAOYSA-N 721.817 9.295 5 40 KKBB O=C(Nc1cc(OCc2ccccc2)c(Cl)cc1Cl)c1sccc1Oc1ccc([N+](=O)[O-])cc1 8855318 UUYWUQBHXAYDFO-UHFFFAOYSA-N 515.374 7.587 5 40 KKBB Cc1c(C(=O)NC(=S)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cccc1[N+](=O)[O-] 32115131 YUYDLRGCGRPKQY-UHFFFAOYSA-N 502.886 5.770 5 40 KKBB C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 32578453 WACWKDQGVQIMCZ-OAHLLOKOSA-N 500.577 5.073 5 40 KKBB O=C(Nc1ccc(Br)cn1)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1 49722823 JXUOBJQQDROYGR-UHFFFAOYSA-N 540.757 7.243 5 40 KKBB Cc1c(Cl)ccc2c(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc(-c3ccccc3)nc12 97948117 BXSPPSBUJRDQEX-UHFFFAOYSA-N 552.970 7.604 5 40 KKBB O=C(Oc1cn(CCC2=CCCCC2)c2nc(-c3ccc(F)cc3)n3c4ccccc4nc3c12)c1ccc(F)cc1 97954887 YBIWCEWMYAIDCS-UHFFFAOYSA-N 548.593 7.892 5 40 KKBB Cc1ccc(Sc2ccc(/C=C(\Cl)c3nc(O)c4c(-c5ccccc5)c(C)sc4n3)cc2[N+](=O)[O-])cc1 97981643 KJKKSOOZHWOZJS-STZFKDTASA-N 546.073 8.477 5 40 KKBB Cc1ccc(Sc2ccc(/C=C(\Cl)c3nc(O)c4c(-c5cccs5)csc4n3)cc2[N+](=O)[O-])cc1 97981645 RNFQSEQNYAWJPC-WQRHYEAKSA-N 538.075 8.230 5 40 KKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)s1 100816467 UZVMYJJHPWATOL-UHFFFAOYSA-N 578.613 6.316 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 102370251 HPEVXTCHWZUTIR-LRXFEKEMSA-N 599.643 6.364 5 40 KKBB C[C@H](NS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(N[C@H](C)c3ccccc3)cc1[N+](=O)[O-])C2=O)c1ccccc1 102415394 SYOCSCGDXHZTRO-MSOLQXFVSA-N 572.599 5.927 5 40 KKBB CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccc(Cl)cc1 102646509 SBJYTCGSPSXMOJ-VKGTZQKMSA-N 501.970 7.208 5 40 KKBB O=C(c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 102938062 XPUACELOVOGMOC-UHFFFAOYSA-N 536.009 5.892 5 40 KKBB CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1 150484495 XKOVEMANISARDC-SSZLPGGOSA-N 634.714 6.552 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 163219201 OUIDYBJNXSQWFH-KEQCBNTKSA-N 638.496 5.046 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c2=O)=N1 163454174 ZHBSTHOIOJTASP-MRWVFDTMSA-N 656.717 6.311 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163677151 LXCYGYKJAUEMLC-MFUBYVTQSA-N 628.888 5.382 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214048856 JKKWHIGUMYHLER-CIAFOILYSA-N 507.480 5.540 5 40 KKBB CN(C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224781189 XVESCZRPHVNMAD-FIRIVFDPSA-N 592.750 7.175 5 40 KKBB CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 224786744 NMQDWUMLNXEQOK-IOWSJCHKSA-N 594.718 7.977 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225691863 MNGXZVNXPFGXFM-YWZLYKJASA-N 526.417 5.011 5 40 KKBB COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408557005 MLBAOBGHKSECHV-QHCPKHFHSA-N 505.379 6.268 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 408565540 CGHFVJZESFSPDD-DEOSSOPVSA-N 587.471 6.483 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F 408571115 NRIKFYQKVXQHIF-XMMPIXPASA-N 577.465 7.109 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F 408571347 OLAZYFWSDYIJQF-VWLOTQADSA-N 557.047 6.764 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408646719 UGBDFLKIEAQHJB-ZBWOKKAISA-N 697.098 5.190 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408684147 MWJVVQRDPPMKQW-HCXPYDJZSA-N 563.997 5.698 5 40 KKBB O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408777643 DWEFDQYFOZRUGR-OIUASMPBSA-N 637.073 6.581 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O)Nc1cccc(C(F)(F)F)c1 408877965 ZCOVNTUWMABBIU-FBHDLOMBSA-N 626.396 7.174 5 40 KKBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 409016417 SMJQICJRDIOWKW-NNLQFVHNSA-N 510.446 5.394 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2c3ccccc3cc3ccccc23)N1Cc1ccccc1 409113513 BKPFVACFSWKAGZ-DHUJRADRSA-N 549.630 8.263 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409152817 GJEQETKOPGUPJQ-SRZZPIQSSA-N 629.401 5.741 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5ccccc5s4)cc3s2)c([N+](=O)[O-])c1 409336900 QZESPRSUWKNETL-UHFFFAOYSA-N 597.725 6.284 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 832721 IQAYAFZLRVHTAS-RAWLKHAVSA-N 558.546 5.031 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)F 1005640 TZAWLZKPHRWXDB-XZOQPEGZSA-N 505.481 6.199 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 1812073 VDEMNTRHQWJILL-XYOKQWHBSA-N 548.780 7.624 5 40 KKBB O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1 4142030 BEKOHQTYBWOVEG-UHFFFAOYSA-N 526.508 6.884 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@H](c1cccc(Br)c1)N1C(=N2)C(=O)Nc2ccccc21 8684731 HYDMFUZHGGQSQC-QFIPXVFZSA-N 529.354 5.443 5 40 KKBB CCCCC(=O)Oc1cn(-c2ccc(OC)c(OC)c2)c2nc(CCCC)n3c4ccccc4nc3c12 9243682 XYYWPJZBRAOUPE-UHFFFAOYSA-N 500.599 6.282 5 40 KKBB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1 9972134 GWMHYBZTZGXFAE-SAPNQHFASA-N 507.546 7.612 5 40 KKBB COc1ccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 19856385 LKVCHAVFWVLWJE-UHFFFAOYSA-N 511.600 5.178 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 21595671 KRWZZBAHNHOCMV-UHFFFAOYSA-N 510.959 5.271 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@H]1C(c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)N=C1C 33354879 XUWLGTGIHPXLNS-ULJKERAFSA-N 537.620 5.990 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 97948123 RNXAAIPVOKWSBS-CQSZACIVSA-N 553.185 6.054 5 40 KKBB O=C1C(Nc2ccc(Br)cc2)=C[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Br)cc1 100870652 NGGJOSVCHYKFEB-OAQYLSRUSA-N 529.188 6.204 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@@H]1C(c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)N(c2ccc(C)cc2)N=C1C 100922638 IHHQXWNDVVPVIP-UIOOFZCWSA-N 509.566 5.373 5 40 KKBB COc1ccc([C@H]2[C@@H](C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)CCC(=O)N2c2ccc(C)cc2)cc1OC 103121185 OHTMIZHAGDSHDG-CUBQBAPOSA-N 562.575 5.015 5 40 KKBB COc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n2-c2ccccc2F)cc1 103132365 OMTLUCCENCXKTL-INIZCTEOSA-N 523.546 5.022 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccccc1Cl)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 103542466 PWVRXKYEONVPMP-YQQRZDPSSA-N 590.035 6.494 5 40 KKBB Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 105305789 CEQWMWUUXIXOCT-UHFFFAOYSA-N 550.040 6.482 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 214054894 WGMXKJPIPQFHAK-SRZZPIQSSA-N 579.350 7.405 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222794954 ZLOIZWQSIDVSHQ-AREMUKBSSA-N 552.469 5.312 5 40 KKBB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 224857686 ASZOGYYFRPBSDE-RPBOFIJWSA-N 502.552 5.444 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 408567075 GHTHOBDFPGCDNP-AREMUKBSSA-N 538.601 5.811 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 408570646 LSIHVNNDVGEYAM-XMMPIXPASA-N 528.993 6.066 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCCCCC2)C(=O)O)o1 408634012 QYMFXTOQCPDZQZ-FYJGNVAPSA-N 530.990 5.905 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408682837 JZCSXTLBTYGNDS-UHFFFAOYSA-N 785.852 7.805 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]23)cc1 408727546 FJTKUDULMQYYSN-IEROYTCOSA-N 692.724 6.810 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc(C)cc2)=C1c1ccc(C)cc1 408727657 FWWUGDASIGWWQY-YSSMVSIISA-N 660.726 7.409 5 40 KKBB Cc1cc2nc3s/c(=C/c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n3c2cc1C 408741057 NQKWWRLVBNYUOE-AJBULDERSA-N 568.658 7.107 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n31)c1ccccc1CC2 408757663 OLQZCFHXJMBQSB-UHAPOFRNSA-N 757.606 6.428 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408819789 TVVNHPJRSOYJBV-HMAPJEAMSA-N 510.955 6.467 5 40 KKBB O=c1/c(=C\c2ccccc2OCc2ccccc2F)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408842122 MBJCGLAYDCMDQK-GSTVVXAASA-N 589.648 5.945 5 40 KKBB O=c1/c(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408842442 KFFUCYCFMSEIPE-GUHKKKFHSA-N 700.795 8.491 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408915644 QJWDFGJEKRQJNZ-FUAQWRKOSA-N 696.181 6.475 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 408920141 HQHMUVLRBOMISK-ZXXDOZTISA-N 667.791 6.909 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409045425 PMOHLBKLUPFSKY-QEEORQGDSA-N 801.068 5.652 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409199614 PLEFBTKYVUQJQG-FOKLQQMPSA-N 772.799 7.268 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(-c3nc(O)c4c5c(sc4n3)CCCC5)cc2Br)cc1 409252624 CQQGEYGZHJAGRN-UHFFFAOYSA-N 591.281 6.955 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C 409340637 ABJKJOMCMVRRRH-HXUWFJFHSA-N 551.456 5.371 5 40 KKBB CC1=CC(C)(C)N(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccc(OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc21 1840521 CYZDYAUSYHUFHO-WFYKWJGLSA-N 539.544 6.364 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 8435256 OAOHNDIDMRRVRT-UHFFFAOYSA-N 744.764 5.171 5 40 KKBB CC1(C)C[C@](C)(c2ccccc2)c2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2N1Cc1ccc([N+](=O)[O-])cc1 97999864 XTGLJHKCRXCRNQ-VZUYHUTRSA-N 628.816 10.472 5 40 KKBB COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nc(NC(=O)c4cccc([N+](=O)[O-])c4)nn32)cc1 101012639 ZOQXWUBNBJAOEP-JOCHJYFZSA-N 502.918 5.157 5 40 KKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 105249238 ANZNTXZIJSFCDA-UHFFFAOYSA-N 525.230 6.445 5 40 KKBB O=C(Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1)C(=O)Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1 150357755 OXJKAFGWKZRURN-UHFFFAOYSA-N 660.740 7.602 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150395630 YWCPYEMIIVNICE-KMCFWPMWSA-N 667.696 5.130 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 224653417 ZBRCTXJOOASUEQ-LOYHVIPDSA-N 564.623 7.228 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(C)c(C)c3)cc2Cl)cc1 408567089 GJOSVBNGPLKYEO-VWLOTQADSA-N 557.503 7.497 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408618408 KGAJQEBRRZIZHT-UHFFFAOYSA-N 592.379 6.071 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4c(ccc5ccccc45)C3=C[C@@H](c3ccccc3)[C@@H]2C1=O 408732375 QIBGKYGNJUNOOG-HXVUFMGFSA-N 530.536 5.578 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccc(Br)cc5[N+](=O)[O-])o4)c(=O)n31)c1ccccc1CC2 408758251 XIXRUCMNBRCHAH-SJXDCSIJSA-N 640.515 6.258 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408833175 WGFFSYRIJOAVEI-RWTNITNYSA-N 674.997 5.603 5 40 KKBB Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1 408842254 JQNFOGKDJRBIBC-UHFFFAOYSA-N 505.939 5.672 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c5ccccc5cc5ccccc45)c(=O)n32)cc1 408849718 YNFPVXKSAWQQKK-VWGWLNKZSA-N 595.724 6.579 5 40 KKBB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 408980575 FSFJBOKURQRFMB-UHFFFAOYSA-N 714.876 7.306 5 40 KKBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)OCc1ccccc1 408997783 HZZORUXXKZVIOZ-ULWXPFJOSA-N 553.659 6.539 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CCCc1ccccc1 409129445 JQZXKMJCCZOSBQ-HZHRSRAPSA-N 632.330 7.368 5 40 KKBB Cc1cc(C)cc(N(CCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)cc2)c1 2634700 GSANPKGBAJGAFM-UHFFFAOYSA-N 505.955 5.228 5 40 KKBB COc1ccccc1C(c1c(O)c2c(ccc3ccccc32)oc1=O)c1c(O)c2c(ccc3ccccc32)oc1=O 8453186 QSMOGVXIRCAVFZ-UHFFFAOYSA-N 542.543 6.806 5 40 KKBB Cc1ccccc1/C=C/c1nc2ccc(I)cc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 9019738 GIYVERVUMMRMMP-AWNIVKPZSA-N 509.303 5.377 5 40 KKBB Cc1ccc(Nc2nc(Nc3ccc(C)cc3C)nc(N[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2)c(C)c1 13838385 NKQGZXRUWXNUCR-HXUWFJFHSA-N 526.601 5.940 5 40 KKBB Cc1ccc(C2=N/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)O2)cc1I 15305943 YKOOMFAXPGZAAS-WQRHYEAKSA-N 500.248 5.112 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccc(F)cc6F)o5)nc34)c12 98046166 JMELSLBODBHFSR-UHFFFAOYSA-N 517.439 6.332 5 40 KKBB O=C(NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 103021748 PLWYIRISYIYXGS-RDRPBHBLSA-N 574.618 6.430 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)o1 106331681 SYASKPCZDOTIHU-QARYAGPDSA-N 594.045 5.017 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2)cc1 112243291 MHFXFGSDGLWUMD-UHFFFAOYSA-N 559.692 6.262 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc(OC)c1 150395120 NLASFVFWYZLGIS-FWESEHMYSA-N 642.089 5.766 5 40 KKBB CCOC(=O)c1sc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@H]3C2=O)c(C(=O)OC)c1C 150441539 FXZOKGRNFKHJRE-FCEKVYKBSA-N 715.693 5.207 5 40 KKBB COc1cc([C@@H]2c3c(C)nn(-c4ccc(S(=O)(=O)c5ccc(C(C)C)cc5)cc4)c3N=C3C(O)=Nc4ccccc4N32)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 150482824 FPYKBHLPMOVDSQ-LDLOPFEMSA-N 832.917 8.371 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223879138 PEDZDGNKUGUQFR-AREMUKBSSA-N 714.068 6.791 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224687228 UXVCPAYUDCRHFI-JOCHJYFZSA-N 631.151 5.012 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224894807 ORWIRTPQSYTACE-NDEPHWFRSA-N 566.123 6.180 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 408567071 GHGBGZAUQZIIJK-HHHXNRCGSA-N 603.528 7.369 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 408568826 UUEKCJHSZCJKAC-KLPDMWAPSA-N 568.457 6.026 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc4ccccc34)cc1)[C@@H]1CCCN12 408570027 YEYRQNGQDMWVJL-AKTOALFRSA-N 505.574 5.473 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 408572070 QOHJLBOFBFRWMF-GDLZYMKVSA-N 575.090 7.470 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 408577250 YWGNVYSQWAAVSU-SANMLTNESA-N 573.502 7.197 5 40 KKBB O=C(O)/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1 408632034 CSBZVUQTHFHIIJ-BKUYFWCQSA-N 509.927 6.095 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1 408642259 MNNIMUPDMAYRLN-IRRGGTJQSA-N 762.169 6.094 5 40 KKBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 408651655 NRYFBKULQWQKJK-OVEGOBCQSA-N 608.434 6.131 5 40 KKBB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 408720464 QAMFYOMDJXYJON-ITWZUIQWSA-N 520.585 6.009 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 408734329 WYWFBCAZQGXBNB-UPWSPCOFSA-N 694.947 6.642 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)cc1 408919876 DQXRVRITXTUDTL-ZSJKCPIUSA-N 654.564 5.839 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 408930753 BOSCXXDBPSCXAX-QRVIBDJDSA-N 659.458 5.770 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 409085722 CVKMQJLGOHXOSV-WKIZKNSPSA-N 655.736 5.794 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409143838 IVNOFIWXEFRJHA-CCVBWGSMSA-N 761.876 6.772 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409344024 JAHLMKIVILLVHQ-XGLZOBASSA-N 821.431 5.803 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccccc1Br 409348946 UCYNLDRFJCLWFE-SRZZPIQSSA-N 622.375 6.843 5 40 KKBB O=c1oc(-c2ccc([N+](=O)[O-])cc2)nc2ccc(Cc3ccc4nc(-c5ccc([N+](=O)[O-])cc5)oc(=O)c4c3)cc12 3142727 YSIKZEFSXNJCPH-UHFFFAOYSA-N 548.467 5.431 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1 22847468 JOBGFTBNKPNZII-UHFFFAOYSA-N 523.018 5.760 5 40 KKBB O=C(Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc21)Nc1ccc(F)cc1 101349423 UHEJJUUIQFFPEQ-CFRMEGHHSA-N 530.537 5.564 5 40 KKBB CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@]2(S1)SC(c1ccccc1C)(c1ccccc1C)c1ccccc12 101406748 DGAYSWRVHOAXOV-WJOKGBTCSA-N 551.693 7.517 5 40 KKBB CC(C)C(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(O)=C2[C@H]1c1cccc([N+](=O)[O-])c1 101648375 DDISXWZZZYTVPI-GTYOFVGBSA-N 537.660 8.098 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)cc1)N1C(=N2)C(Nc2ccc(Cl)c([N+](=O)[O-])c2)=Nc2ccccc21 102872215 LBYOKNOJMLZRKX-MUUNZHRXSA-N 578.007 7.677 5 40 KKBB CCOc1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n2[C@H]3c2ccc(OCC)cc2)cc1 102901937 BZSFYMQPIWTMQK-UCIQFCIPSA-N 593.705 6.188 5 40 KKBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1C(F)(F)F 103074613 ATKJDSBKLIHYRU-LJQANCHMSA-N 523.261 5.913 5 40 KKBB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)c2C1 103087582 FCCRPBNIIGYLII-HNNXBMFYSA-N 529.515 6.108 5 40 KKBB CC1=NN(c2ccccc2)[C@]2(SC(C(F)(F)F)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 103757133 MTWVIHPFXIIBQA-HSZRJFAPSA-N 528.472 5.987 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 104708810 UNFVVJYTAFPAFU-UHFFFAOYSA-N 538.409 5.361 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 106210381 MSRGICYTYQFBLI-BIWBSIMWSA-N 557.628 5.090 5 40 KKBB O=C1c2ccc(OCCCCOc3ccc4c(c3)C(=O)N(c3ccc([N+](=O)[O-])cc3)C4=O)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 150397568 ACDYFUOOBZMOAS-UHFFFAOYSA-N 622.546 5.342 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222810915 VFDPTFZYTBNMMO-HKBQPEDESA-N 699.613 5.800 5 40 KKBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224739300 QSBFNGKHQLAKOE-OAQYLSRUSA-N 643.560 5.029 5 40 KKBB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)s1 224761018 HWRWYWIVDLYUDT-RPWUZVMVSA-N 504.662 6.688 5 40 KKBB COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C 224770703 RQURTGYTLUYPKQ-IZLXSDGUSA-N 559.717 6.383 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225015220 ABHPFZRBMJAKMV-XIFFEERXSA-N 719.658 6.252 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1 408565341 BTADWTYYZAFWMK-DEOSSOPVSA-N 621.916 7.219 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408566408 NUBKWSFACZTSNB-LAMXGVLKSA-N 532.811 5.748 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)n1-c1ccccc1 408570335 KXVBJZCDSRXIRD-QHCPKHFHSA-N 570.425 5.936 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 408573014 SDTXFICPLKRWLS-HSZRJFAPSA-N 515.422 6.572 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)cc2)n1-c1ccc(Cl)cc1 408574471 UWIDGCFTVCRPIQ-HHHXNRCGSA-N 531.037 7.071 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 408575058 VUVOUAHRJULMHH-RUZDIDTESA-N 614.478 6.334 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C(=O)O)n[nH]1 408632774 SIPDDVXKDKAMFB-JAIQZWGSSA-N 512.931 5.828 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408634554 RLHIPJFLNCXEOD-BKUYFWCQSA-N 526.958 6.013 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408642899 OFYKEKLVTUPHMT-LWXARWASSA-N 660.466 5.414 5 40 KKBB Cc1cc(C)cc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c1 408748743 CACNHISRYHVCIZ-UHFFFAOYSA-N 518.576 5.353 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cccs1 408784680 RTPZODXCYKHUMQ-CBYYHRJHSA-N 640.537 5.110 5 40 KKBB O=C1OC(Cc2ccccc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408842943 KPBRARZLDKPJRE-XDHOZWIPSA-N 597.830 6.984 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC 408949873 SKMDGYLRXPIPKY-UBMKPUGCSA-N 694.560 5.065 5 40 KKBB O=C(Oc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)c1ccccc1 409113002 HPDAVQMWDFQGCN-XIFFEERXSA-N 569.617 7.175 5 40 KKBB CCc1ccccc1NCc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409134281 ONSBGSRDJCTUDD-UHFFFAOYSA-N 520.221 6.873 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl 409163547 TXWUVMGVZSKVMN-ROTLSHHCSA-N 669.068 5.126 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc(Br)cc1 409196654 QVIVCQXBZROZHR-UUASQNMZSA-N 531.171 5.339 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1Cl 409272074 LJOQWKFOIOOHKP-LSHDLFTRSA-N 584.950 5.632 5 40 KKBB O=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 783479 HIPNBJFMASBFEX-MEYXOBLXSA-N 528.396 6.220 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nc(SCc3ccccc3Cl)nc2N1 958576 XFYUJBZTKDALND-HSZRJFAPSA-N 533.013 6.060 5 40 KKBB CCOc1ccccc1NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCCC2 3671688 RUYQCJDWJDPFKY-UHFFFAOYSA-N 514.003 6.482 5 40 KKBB CC(C)c1ccc(NC(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1 98043408 GIRDXGPTGXSECG-UHFFFAOYSA-N 564.642 7.599 5 40 KKBB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(C2CCCCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 100140593 PYRKOHRCBXARCG-UHFFFAOYSA-N 569.580 7.543 5 40 KKBB O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1 100233297 XPIBXKCIGOHNGN-UHFFFAOYSA-N 521.351 5.754 5 40 KKBB O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 100517571 YBXHNOAKSLRXGU-UHFFFAOYSA-N 544.476 6.567 5 40 KKBB CCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OC(C)(C)C)=C(C)NC(C)=C2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 101330856 UQZNVEGWGDPRBT-UHFFFAOYSA-N 616.715 6.764 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1 106745547 UVTVYEYIPZPDGD-UCQKPKSFSA-N 616.433 6.414 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1OC 150416956 LRAGYXRGNKCFFK-XGLZOBASSA-N 718.504 6.289 5 40 KKBB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 150462377 YNZOZJAUIPXSIW-QPKLKHIXSA-N 624.451 6.541 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223394363 APXMWRPEKZANLC-GUZYMRFCSA-N 686.831 5.970 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224930139 SHORFIDJKSIEHU-IBGZPJMESA-N 686.014 6.011 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225231468 IOWSSFZKMZYZOL-UMSFTDKQSA-N 654.789 5.879 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)cc1 229604642 LFXOAIZPQLAAIT-IDFSYQMWSA-N 555.590 5.885 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C(=O)N1Cc1ccccc1 229963576 FYJZSTHYPIYGTO-UODIDJSMSA-N 511.559 5.370 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]2[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)c3sc(=O)[nH]c3S[C@H]12 245242057 YDFNPRCPBPZTAW-DXXZMKCOSA-N 573.574 5.041 5 40 KKBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 247318206 KYSWBXRMYWBYRO-LUIYPFIDSA-N 559.553 5.716 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)cc1 253374791 NNMUSNAJXQOONC-CPONHVLOSA-N 599.643 6.364 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2cccc3ccccc23)c(Br)c1 408564433 CVCJRIYGFMHJBV-RYMQEHTKSA-N 558.432 5.750 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1C 408570876 MDSOGFHPZSKPKZ-LJAQVGFWSA-N 603.542 7.797 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 408574043 ULTGNGULWSBABD-MHZLTWQESA-N 553.084 6.934 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)C(=O)O)n[nH]2)c1 408632230 IBXOFRUZTLMTQC-JAIQZWGSSA-N 512.475 5.014 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408641554 CQLOEOKJOXASAC-RAWLKHAVSA-N 626.452 6.034 5 40 KKBB O=c1/c(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408758143 VWOBEEBUDWTEBU-VPHSIRQSSA-N 644.934 6.903 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)N1CCN(c2ccccc2)CC1 409010974 GNVICSVASLVJPK-ZXVVBBHZSA-N 507.615 5.378 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409156601 KUSRUZHYTAUDIQ-ZVHZXABRSA-N 689.484 5.861 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409157055 PTCKXMDGLRTKRR-SSDVNMTOSA-N 629.401 5.741 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 409189882 UNIHXAVMIXOWPI-SOJUGJLBSA-N 770.680 7.034 5 40 KKBB COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 409193172 DLZAJKXFJYNZTD-ALUWMOPFSA-N 737.647 6.347 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409243119 YRQGEYNBYVIMCK-YDZHTSKRSA-N 521.957 5.627 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl 409346114 LCHSGYIOSDVTRC-FQEVSTJZSA-N 565.483 5.761 5 40 KKBB COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409394128 WBYWPMCQWVTHSV-FMCGGJTJSA-N 613.433 5.174 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)o1 409398680 FTUPIRUMKRKOOR-NVMNQCDNSA-N 590.770 5.062 5 40 KKBB O=C(O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NSc1ccccc1[N+](=O)[O-] 31719569 VPLWFOIAHKHZSQ-XMMPIXPASA-N 516.644 6.370 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 101064622 WBXVQSYZJIZOMV-CKPORNQBSA-N 620.459 6.213 5 40 KKBB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 103111122 XGZHWJFUHNIJCE-MUUNZHRXSA-N 598.011 6.023 5 40 KKBB Cc1ccc(C2=NN(C(=O)COC(=O)[C@H](C)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 103137237 ZPYUTFTYUANONS-KSFYIVLOSA-N 544.486 5.237 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2s1 103765778 HDWFTGZSRPDWLN-UHFFFAOYSA-N 520.419 7.065 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 105222579 UJODJMZXKVPKEE-JQIJEIRASA-N 557.006 6.123 5 40 KKBB CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3O)nc2c1 105304599 LKHJLBOAVQOYOF-UHFFFAOYSA-N 542.573 6.619 5 40 KKBB COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 105306137 DCJFGQVXVYQKPW-UHFFFAOYSA-N 531.594 5.529 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c(Cl)c1 105308048 UXENILOCLMYSEZ-UHFFFAOYSA-N 536.013 6.092 5 40 KKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105311347 WPNBNEDAPUKBTB-UHFFFAOYSA-N 530.587 6.267 5 40 KKBB Cc1c(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 106727414 CPYHNZILQNFURS-ZMFRSBBQSA-N 570.583 5.462 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1 111465288 ZPAKUOWTKIYXLL-CLNXTWJPSA-N 591.645 5.412 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)NCCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 150353475 DPQGVCQRZLHPCK-UHFFFAOYSA-N 867.743 5.157 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(F)cc1 150394616 HKVBZAIICHSSOQ-FQWZWQHVSA-N 674.504 6.005 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 163197168 HTWSKWBIMVTQRI-WKIZKNSPSA-N 631.710 5.823 5 40 KKBB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 222308464 JXWRLZKRBGOJKN-RXJAJXMTSA-N 527.374 5.781 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222762092 IZFWMPNCBNXXKP-AREMUKBSSA-N 621.543 5.429 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225619826 IRCHCNISCOXUMY-KDYSTLNUSA-N 601.125 5.166 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 225697360 OFIPRYANABOZNA-KAYWLYCHSA-N 527.606 5.560 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1ccccc1 408568089 HPOXGRFPSYKWDI-QHCPKHFHSA-N 525.974 5.826 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(F)cc1 408573043 SGEBFNHDUGWOMS-AREMUKBSSA-N 538.601 5.811 5 40 KKBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408679336 DUCBQLMEJHPPOO-HHLQZUTDSA-N 682.127 5.290 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408770418 XHLMSHZKPMCIHQ-CJCCVFIKSA-N 834.452 5.958 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(Cc5cccc6ccccc56)n4-c4ccccc4)cc3s2)c([N+](=O)[O-])c1 408981472 HRSKWFYNOUOWCL-UHFFFAOYSA-N 747.884 7.999 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc2ccccc12 409076945 BYKZQCYPGWZCSJ-RGFRMHDHSA-N 565.607 5.120 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4cccc5ccccc45)cc3Br)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 409077496 FQIWZMZUAZAJBV-XDYZZPCYSA-N 714.594 6.210 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409079823 MJFIHXRSGCPLHT-QHCWNQLDSA-N 752.640 5.854 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409087456 YSXHGCZZOMZBLA-SMXMPJKCSA-N 731.625 5.879 5 40 KKBB CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409113254 FBQYXOAMMXDJBM-UHFFFAOYSA-N 504.970 7.630 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 409163573 UIMAVLOXJUIVMH-WSDLNYQXSA-N 507.524 5.155 5 40 KKBB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409176734 WDFLKPADHGDOOU-SSEXGKCCSA-N 533.540 6.237 5 40 KKBB O=C(OCc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Oc3ccc(-c4cc(C(=O)OCc5ccccc5[N+](=O)[O-])c5ccccc5n4)cc3)cc2)nc2ccccc12 409182963 PQKDDIWJEUMNLE-UHFFFAOYSA-N 782.765 10.440 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 409195027 QURNYUMXEVXUKY-IYCJABBDSA-N 793.283 6.656 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409235994 RANAWKBANMPJAW-WSDLNYQXSA-N 679.876 6.115 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409247709 AUESLIQDOKFPTL-BRJLIKDPSA-N 626.485 6.237 5 40 KKBB CC1CCN(C(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)CC1 409269051 DHROODQNXHARFW-BKUYFWCQSA-N 532.043 5.694 5 40 KKBB COc1ccc(/C=C/C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1 12581737 VZAXVHZLEWAUKQ-PZVJUEDKSA-N 511.328 5.302 5 40 KKBB O=C(CSc1ncnc2sccc12)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 13101491 YGAKGYOYBFINPP-LJQANCHMSA-N 514.972 5.268 5 40 KKBB O=C(c1ccccc1)[C@H](c1ccccc1)C(c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccccc1)c1ccccc1 19908300 XTVBZGOGFNJHEY-DNLKRGSKSA-N 525.604 8.012 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)N1Cc1ccccc1 59651971 VEMDRSAMQABMHU-UMSFTDKQSA-N 600.631 7.443 5 40 KKBB COc1cc(-c2cc3[nH]c4ccccc4n3c(=O)c2Sc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 102919041 ATEITHNMNDOZKE-UHFFFAOYSA-N 503.536 5.533 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc6cccc(c56)C4=O)cc3s2)c([N+](=O)[O-])c1 103765624 YDANZRKIWMNSKF-UHFFFAOYSA-N 570.608 5.898 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(OC)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)c1 103787670 SBXRLGDXQIUXQY-MRWVFDTMSA-N 591.645 5.504 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 150368675 LPIKVPSJKZMEFW-LYRGBEMXSA-N 628.888 5.382 5 40 KKBB Cc1ccc(NCCCN2CCN(CCCNc3ccc(C)c4sc5ccccc5c(=O)c34)CC2)c2c(=O)c3ccccc3sc12 150421641 ZCEQSFLZLVZRGS-UHFFFAOYSA-N 648.898 7.681 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 214620838 GLLNDOYSYLJWQD-ZVHZXABRSA-N 630.460 6.722 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222774115 AMKGIVLGHVMARN-MHZLTWQESA-N 665.596 5.746 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223049965 AJWPMJJISLNGSN-FGZHOGPDSA-N 631.151 5.093 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223823612 MGYVPRWQVNFDRX-NFQMXDRXSA-N 665.596 5.231 5 40 KKBB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225359921 KVENPFKBKYEFDY-CLJLJLNGSA-N 500.580 6.214 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261060387 NRPWQTKGVXHFAT-WJVKJDHCSA-N 686.831 5.970 5 40 KKBB CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408557900 PIEKPSNFDRBZTC-QHCPKHFHSA-N 573.376 7.890 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F 408568082 HOWPWNBPNUWYHU-XMMPIXPASA-N 543.020 6.374 5 40 KKBB O=C(O)/C(=C\c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)Sc1nnc(-c2ccc(Cl)cc2)o1 408635205 YBXOUFLDIBSYEG-DEDYPNTBSA-N 511.968 6.667 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408648230 JUOOFISPECWDOC-YASBFDIKSA-N 677.669 5.946 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408659551 VXSDRDLRGOOVGX-MFTWVQLTSA-N 746.559 7.253 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408680410 GETASGZFGPLNHH-FZDFQQAASA-N 563.997 5.698 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408772676 FCOYLZDOGILGFJ-QZVQSRICSA-N 772.699 6.916 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408850189 HSVPONWNEAYCLD-DDIUQFJASA-N 643.718 5.081 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408996230 LQZQMXFHAQOWRE-JEBSQDRDSA-N 690.734 6.668 5 40 KKBB O=C1N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 409021241 ZJPRVYVFJKDRFQ-CIAFOILYSA-N 526.318 5.168 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409039681 RVIOOTVVIVEADL-BXMULHQWSA-N 801.510 6.606 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CCOc1ccc(F)cc1 409053081 KEAUOFDEVSJHSD-UCQKPKSFSA-N 573.396 6.191 5 40 KKBB CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409129511 GSTXNYJJFXGUNJ-HSZRJFAPSA-N 524.647 5.188 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409146080 RCSVRUYPSPIUJI-GKTKDVHMSA-N 693.532 5.265 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc(Cl)cc1 409153532 LXYFMJZNMFYZPY-LPYMAVHISA-N 523.954 5.502 5 40 KKBB CC(=O)Nc1ccc(Oc2cc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)cc([N+](=O)[O-])c2)cc1 3143189 LFUDCIMDHBXFTN-UHFFFAOYSA-N 533.544 6.451 5 40 KKBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 8412416 TYASRDGVDXYBEF-ULJHMMPZSA-N 501.589 6.217 5 40 KKBB O=[N+]([O-])c1c(N(Cc2ccccc2)Cc2ccccc2)ncnc1N(Cc1ccccc1)Cc1ccccc1 8453868 WTBNZCZOYSWQHC-UHFFFAOYSA-N 515.617 6.798 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100540108 IOQUGOVTEOMYNZ-UHFFFAOYSA-N 517.679 5.979 5 40 KKBB CN1/C(=C\[P@](=Nc2ccccc2[N+](=O)[O-])(OC2CCCCC2)c2ccccc2)C(C)(C)c2ccccc21 102941103 SZUAEOQBZLIJQJ-JNIBXDKDSA-N 515.594 8.286 5 40 KKBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307824 RBQQXJUKAFLMGM-UHFFFAOYSA-N 538.054 6.252 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105317608 XZKWMNWCJBMNDZ-UHFFFAOYSA-N 613.165 5.389 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 111469771 AGQLPKVYNVNTRD-ZHGFHMGHSA-N 607.644 5.112 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 139306937 ROAUQPNIBYLVTL-HSZRJFAPSA-N 624.705 5.404 5 40 KKBB COc1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccc(C)cc3)n2-c2ccc([N+](=O)[O-])cc2)cc1 150427360 CRSOZDGWTRPGGO-MUUNZHRXSA-N 667.773 5.954 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccccc1 215004026 BMFZFORSPCBTRH-LPYMAVHISA-N 602.406 6.024 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225210590 CLXGADWZMFENEQ-VWLOTQADSA-N 665.596 5.748 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 225540602 XVTGHSUNVPZLOJ-CLJLJLNGSA-N 513.579 5.251 5 40 KKBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 229999017 KYSWBXRMYWBYRO-CKPORNQBSA-N 559.553 5.716 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260756161 FEVVNRKJVKOTGY-HXUWFJFHSA-N 665.596 5.746 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408566254 FETIFQABXQSVRC-QHCPKHFHSA-N 600.451 5.944 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Br)cc1 408572395 RAICCAWMZVKOKN-DEOSSOPVSA-N 648.377 7.107 5 40 KKBB O=C(O)/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2ccc(Cl)cc2)o1 408631731 BHRCTAVFCROQRQ-BKUYFWCQSA-N 509.927 6.095 5 40 KKBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408647793 VPHNOVLMKUOZCH-UOIPHLHCSA-N 682.127 5.290 5 40 KKBB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 408720456 PRMPKDWDMZFUCI-OREYSHIXSA-N 506.558 5.619 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408734601 ZGYDCSLXBCCEHO-IZBTWGKQSA-N 584.437 5.273 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C(=O)O)cc3s2)cc1C 408751254 YKTKGXQDRGCDGJ-UHFFFAOYSA-N 536.591 5.503 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c2=O)=N1 409037571 SWBQOEYGXFWYMM-BIWBSIMWSA-N 664.534 5.057 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409172661 FFRYYTWODXEQOZ-FSJBWODESA-N 666.428 7.242 5 40 KKBB O=C(CN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2C1=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409178288 GINLIFMBAWTFAJ-UHFFFAOYSA-N 759.636 6.149 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)c1 409178504 KIHSKHLLKZJPMO-UHFFFAOYSA-N 573.355 6.307 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(CSc2ccccc2)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409180600 XUOMOWUBHITSNT-UHFFFAOYSA-N 626.156 7.000 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(C)cc5)C(=O)[C@H]34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409180847 WLTQIAZXIBEUBB-BMQDUDSZSA-N 750.833 5.526 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409181169 YKPAGOUUFPHGHZ-UHFFFAOYSA-N 532.018 5.324 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 409209632 GYRQOSQCTZDRCS-KEBDBYFISA-N 580.243 7.484 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409274958 RMHSDXWXHOEFPF-DHRITJCHSA-N 598.033 5.910 5 40 KKBB CCCCCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n(CCCC)c2nc3ccccc3nc12 9330599 MGXYTIBAUBOETH-FOCLMDBBSA-N 529.597 6.292 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(c1ccc(Cl)cc1)=NN2c1ccccc1 33355200 XXAJFFPWRNSKLM-LJAQVGFWSA-N 554.031 6.787 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])n1nc(NCc2ccc(Br)cc2)nc1NCc1ccc(Br)cc1 97995272 MTHWTEABBPFRLQ-UHFFFAOYSA-N 586.244 5.624 5 40 KKBB CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@]2(S1)c1ccccc1C(c1ccc(C(C)C)cc1)=NN2c1ccccc1 97999432 FRNWDZQXLJBDOA-MGBGTMOVSA-N 591.693 7.231 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1c(Cl)cccc1Cl 100026418 DNHKTFMEPJELPG-IZZDOVSWSA-N 564.166 6.376 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 100190016 KWFMNDQSRCLFNK-PRLWALMFSA-N 587.654 5.099 5 40 KKBB CC[C@@H](Sc1nc2cc(OC)c(OC)cc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)C(=O)Nc1cccc(C)c1 101307951 DPXVDFYCXKETAX-XMMPIXPASA-N 558.620 5.688 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(-c2cccc(Cl)c2Cl)o1 108973480 IKSUBIQFECKOBV-UHFFFAOYSA-N 588.517 5.989 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223601494 ISKSDLFVXZHDON-KDYSTLNUSA-N 554.112 6.036 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)C(C)C 224104300 NGVIAMATOJAZDS-SVBPBHIXSA-N 540.649 5.861 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)o2)c1 224656643 CLCXURXJMHDUGY-WDYNHAJCSA-N 534.597 7.219 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 227545210 WZFUYFNPSXLFQQ-JJUMQRNRSA-N 538.556 5.044 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408565177 INJIZEBSMJNLEB-SIJZCSJPSA-N 596.453 5.620 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)cc1 408571193 OCLFMTWIBJRJBR-RUZDIDTESA-N 508.575 5.803 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408637585 AMVVPDLQYNNTCH-HZCFWTAGSA-N 666.128 5.590 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408678799 DBYPIVLARKJKJV-QYVZARNFSA-N 529.552 5.044 5 40 KKBB CCOc1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1 408988159 HGSKEIRYKHWBBR-UHFFFAOYSA-N 505.596 6.609 5 40 KKBB Cc1cc(Br)c(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(C45CC6CC(CC(C6)C4)C5)cc2)C3=O)cc1C 408993150 CJTPNIQUWPRANL-UHFFFAOYSA-N 650.573 9.139 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409045376 IPDFZQWXMWSJGF-OCDQFKQQSA-N 799.640 5.695 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl 409169615 RCWCKEXBKRCWPL-AFUMVMLFSA-N 612.060 6.757 5 40 KKBB CCC(C)(C)c1ccc(OCCCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c(C(C)(C)CC)c1 409181102 WKWSCLMEXYERFJ-YTTGMZPUSA-N 559.703 8.296 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409188882 BNMXKLQBFHOYFM-OEAKJJBVSA-N 510.955 6.467 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409197866 QOLNLSGFAIMDRX-UFFVCSGVSA-N 573.505 5.275 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O)Nc1cccc(F)c1 409244574 FSNPXDNLVZRBNE-SSDVNMTOSA-N 586.395 5.750 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409273258 JLNNRXPOPRREAB-JFLMPSFJSA-N 589.626 5.547 5 40 KKBB COc1cccc(N(C(=O)COc2ccc(Cl)cc2Cl)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 3503610 VEIABPCXCFUWQW-UHFFFAOYSA-N 530.389 6.777 5 40 KKBB COc1ccc(CCN2C(=O)c3cccc4c(Sc5ccccc5[N+](=O)[O-])ccc(c34)C2=O)cc1OC 5328202 NTVWEUHJLNWANZ-UHFFFAOYSA-N 514.559 5.755 5 40 KKBB Cc1ccc(NS(=O)(=O)c2ccc(SCc3cc(Cl)cc4c3OCOC4)c([N+](=O)[O-])c2)c(C)c1 13148253 YLTCZHSCXKUZLB-UHFFFAOYSA-N 521.016 5.825 5 40 KKBB CC(C)Cc1nc2sc3c(ncn4c(SCC(=O)N[C@H](C)CCc5ccccc5)nnc34)c2c2c1CCCC2 53319260 ITZYSPXBGLDJKF-LJQANCHMSA-N 558.777 6.194 5 40 KKBB O=C(CCC(=O)OCC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 97948627 QDCVWBSGYMJFBV-UHFFFAOYSA-N 587.368 5.086 5 40 KKBB COc1ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cc(Cl)ccc2O)C3=O)cc1Cl 101666813 MGWGOBPSMASRHP-UHFFFAOYSA-N 524.316 6.313 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3c(ccc4ccccc34)N12 103901141 QHFYVXFTSTVDLU-OIIADRAWSA-N 549.970 5.674 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 104911542 AIGPGXJPVLYGAH-UHFFFAOYSA-N 526.849 5.523 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 105498321 YWWFTOXKMVGHOS-QARYAGPDSA-N 621.027 5.060 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1 214205870 PVBHXQWRTZLVCI-UFFVCSGVSA-N 613.795 8.058 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccc(F)cc1Cl 215137740 ANQMQBHOQHLOOK-DJKKODMXSA-N 537.750 6.646 5 40 KKBB CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(Br)cc1 216028848 OABKYTNEHKQMDM-UHFFFAOYSA-N 531.219 5.673 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222847591 DMFBEJJRIJSEFI-UMSFTDKQSA-N 751.700 6.282 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223722181 GGHBBUWHWURBTO-GDLZYMKVSA-N 624.760 5.139 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 224825881 QBRGUZMRCLPRLI-DQEYMECFSA-N 502.552 5.444 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224852633 TUWFWNVXKHDUMG-HKBQPEDESA-N 649.169 5.608 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224918973 UDTHFRJPNLXHTO-MHZLTWQESA-N 520.029 5.490 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3ccc(Cl)cc3N1[C@H]2C(=O)c1ccc(Br)cc1 248081673 DENCGNQTUBKZOH-DDKRZIBASA-N 592.833 5.592 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260795006 OLULVEQEVCAWIJ-HXUWFJFHSA-N 712.052 6.543 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1ccc(Cl)cc1Cl)[C@@H]1CCCN12 408569319 VPKAVJYCMNYLEI-TUPPOGIXSA-N 524.404 5.627 5 40 KKBB Cc1ccc(COc2ccc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(F)cc3)cc2Br)cc1 408570878 MDVGLDUGXVNKQG-XMMPIXPASA-N 557.445 6.475 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 408573736 NVNJURBSMXFVGW-UHFFFAOYSA-N 518.353 5.301 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1cccc2ccccc12 408575830 WXMHCXBYOZGWQH-MUUNZHRXSA-N 544.608 6.566 5 40 KKBB O=C(O)/C(=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)Sc1nnc(-c2ccc(Cl)cc2)o1 408632632 GAULZNBTCNDSJY-UDWIEESQSA-N 546.413 7.321 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408641950 DLRZYFBVFNQODJ-MFTWVQLTSA-N 712.114 6.600 5 40 KKBB CCN(CC)c1ccc(N2C(=O)c3cccc4c(-c5ccc(Br)c(C)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408757735 PVNKMFZPYZWXHE-UHFFFAOYSA-N 558.432 7.133 5 40 KKBB O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408778729 XRJMFMTUZDCMHX-ZMTYCLHQSA-N 763.895 7.984 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408856915 MGRUQLNRBIIGJJ-JLHDDXNDSA-N 613.692 5.073 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O)Nc1ccccc1F 408933110 HOWIAGQYDFHDDT-UUYOSTAYSA-N 586.395 5.750 5 40 KKBB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 409100787 WRDZQRDTEARXKE-GRSHGNNSSA-N 519.273 6.448 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409105883 JOGIRZYDTSBBBH-XLHJEKARSA-N 696.811 5.129 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc([C@H]4N[C@@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1)c1ccccc1 409333013 AJUVJAPIDHFOKF-VGSWGCGISA-N 538.632 5.396 5 40 KKBB O=C(Nc1cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 1005644 QLBRKPBRSPENEU-UHFFFAOYSA-N 539.392 5.774 5 40 KKBB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(Br)cc2)C3=O)cc1 1404704 VDMLERAVLXWDAE-DEOSSOPVSA-N 519.355 5.896 5 40 KKBB COC(=O)c1ccc([C@@H]2c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3N=C3C(O)=Nc4ccccc4N32)cc1 3309727 HEOLQAGEPCSZFV-HSZRJFAPSA-N 508.494 5.117 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(C)=C(C(=O)OCC)C1c1ccc(Cl)c([N+](=O)[O-])c1 3672179 RXDCZKUQUZYILN-UHFFFAOYSA-N 514.962 5.535 5 40 KKBB C[C@H](Nc1cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 6177232 TWSIHHOLEDLUNX-ZBBKGZSWSA-N 569.684 5.031 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 20239125 LMKBIFVGYWUMCA-UHFFFAOYSA-N 513.881 5.101 5 40 KKBB O=C(c1ccccc1Cl)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1 33353050 YYQYWLHJQBGYRV-MHZLTWQESA-N 627.882 7.511 5 40 KKBB CC[C@@H](Sc1nc2ccc(Br)cc2c2nc3ccccc3n12)C(=O)Nc1ccc2c(c1)OCO2 33357844 ZDOUGEMQAKJFCT-JOCHJYFZSA-N 535.423 6.036 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 96022736 CSEVLRDDKRAYBV-MRAXCHOJSA-N 612.599 5.685 5 40 KKBB CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCN(Cc5ccccc5)CC4)c3)CC2)cc1 101104260 VKDBGFAGBJMRKW-UHFFFAOYSA-N 541.696 5.177 5 40 KKBB COc1ccc(CNC(=O)CCCCCn2c(SCc3ccc([N+](=O)[O-])cc3)nc3cc4c(cc3c2=O)OCO4)cc1 102755724 LJVXGVKHRVZOTF-UHFFFAOYSA-N 590.658 5.211 5 40 KKBB Cc1ccc(N2C(=O)/C(=C\NNc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[N+](=O)[O-])c3ccccc3C2=O)c(C)c1 103004636 QWLPUEUUPPTVHX-UQQQWYQISA-N 618.071 5.810 5 40 KKBB COc1ccc(OC)c(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 103536925 MADWQJQPOQQSHX-GYEXEWKGSA-N 601.615 5.594 5 40 KKBB CCCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4[N+](=O)[O-])sc3c2)cc1 103754603 XSSLMBFRDDKPBC-UHFFFAOYSA-N 536.635 6.367 5 40 KKBB O=C(NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105314411 UYJPMVFAGDDXIJ-UHFFFAOYSA-N 518.942 5.369 5 40 KKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 105318976 BERYBDMHXZPJKW-ZZXKWVIFSA-N 557.434 5.360 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 111469688 SRYZQXWUNABTLQ-PLNPHXOGSA-N 619.699 6.227 5 40 KKBB COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2ccc([N+](=O)[O-])cc2)c1OC 150447407 UJKDWLNEQCQPCK-QHCPKHFHSA-N 673.733 5.247 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214975763 YXHPPTMOKBWNJD-YDZHTSKRSA-N 555.406 6.181 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222638762 IHUOMEPHXUBSGY-YTTGMZPUSA-N 663.196 5.856 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223212276 WFIJXUSPPBJZAO-QFIPXVFZSA-N 631.151 5.094 5 40 KKBB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224204407 IIGUBTVEACUSIH-VWLOTQADSA-N 631.151 5.012 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225384744 BKWPMPMEYXGBPA-XIFFEERXSA-N 741.694 6.970 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225701132 QROSBIBSBMHPKR-NFQMXDRXSA-N 635.570 5.819 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]23)cc1 229978611 YDBRFTUWPFMXJZ-BMPBIMJCSA-N 697.143 7.454 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 260988871 CIKYDNWVZJSHDS-HHHXNRCGSA-N 665.596 5.089 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260995630 QROSBIBSBMHPKR-HRFSGMKKSA-N 635.570 5.819 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)[C@@H]1CCCN12 408568865 VCQIEFCWRHDVQY-TUPPOGIXSA-N 552.400 5.222 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C(=O)O)o1 408631259 CRNLYWMIFNKAJP-JAIQZWGSSA-N 513.915 6.093 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408640731 IMZIQRWFELWBRW-QKCPIRFBSA-N 686.546 5.935 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)nc3ccccc23)c1 408644167 DQBHZOVUGGOOAB-UHFFFAOYSA-N 563.566 6.193 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 408728280 JHUVQIZXVTXHQM-LMHXZZLNSA-N 633.090 5.767 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408734007 USGCMJWLZKSCOR-SJXDCSIJSA-N 609.660 5.437 5 40 KKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccc(Br)cc3Br)sc2c1 408750346 LRWOOAJYMPDEIT-UHFFFAOYSA-N 605.289 6.822 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 409036419 LEOUKVCOWYVPDD-CRCYZHLCSA-N 608.072 5.407 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccccc1Cl 409059739 NWMUYNFSXWSHHY-MTJSOVHGSA-N 545.798 6.831 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409163425 RFVFWZBEKJNENZ-NRFANRHFSA-N 565.483 5.679 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(-c2nc(O)c3ccccc3n2)cc1Br 409259318 YIOPGCWWPSVNJH-UHFFFAOYSA-N 506.234 6.484 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12C(c1ccc([N+](=O)[O-])cc1)[C@@]21C(=O)N(c2ccc(C)cc2)N=C1C 973520 COQYXQQDYVMWJJ-VMPREFPWSA-N 507.550 5.127 5 40 KKBB CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 2843661 APMORMFFXGSSET-UHFFFAOYSA-N 506.967 7.073 5 40 KKBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)C(=O)N(c1nccs1)C2=O 3144054 PZVBIWRELKFLCG-UHFFFAOYSA-N 502.533 5.255 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 6289383 JVOIOYHPRMNVFJ-KEBDBYFISA-N 515.906 5.820 5 40 KKBB C[C@@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C(=O)Nc2cccc3ccccc23)C1 8445664 CCTNQUHQPOOSKG-OAHLLOKOSA-N 520.010 7.092 5 40 KKBB O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33789418 GZGACPWDAQPYDI-UHFFFAOYSA-N 503.380 6.019 5 40 KKBB CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 100360133 SGZQMUGRRSHQGM-MFKUBSTISA-N 563.588 5.256 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 100365241 QSMGSHDRYJLBTN-WSDLNYQXSA-N 559.825 6.826 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)c(Cl)c1 105306583 AVUSAWBVLFXBQE-UHFFFAOYSA-N 552.012 5.328 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 105498330 UELVPXGAHCCNJG-QARYAGPDSA-N 621.027 5.060 5 40 KKBB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 106702190 DMYGGEBNVCBQIA-FMCGGJTJSA-N 521.507 5.849 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5cc(-c6ccccc6)n(-c6ccc([N+](=O)[O-])cc6)c5-c5ccccc5)c(=O)n42)c2ccccc2CC3)cc1OC 163283024 IAFIBZJWVUCRAB-OSXBHYAQSA-N 742.857 8.369 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)cc([N+](=O)[O-])c1C 214923531 GFUZQEVDEDHFJL-SRZZPIQSSA-N 513.369 6.471 5 40 KKBB COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223076409 LXYKROSFZYFUQS-NRFANRHFSA-N 661.177 5.101 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224042265 NVNWGFZPGOKQKS-UUWRZZSWSA-N 672.804 5.582 5 40 KKBB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1C 224767698 UPQALUGRDCZVHM-RPBOFIJWSA-N 501.637 5.965 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 225003852 XWYFPOLMFUGRAQ-WDYNHAJCSA-N 574.106 7.317 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 225203579 WNHFLVGHXZDCBP-RRPNLBNLSA-N 543.605 5.784 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225300724 PCNFDTGTXOXELV-BHVANESWSA-N 747.314 7.158 5 40 KKBB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@@H]3CC[C@]12C 245227505 HWWNKOPGLSAYEI-GQYIMDIZSA-N 535.769 9.162 5 40 KKBB biogenic,in-vitro CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 408563197 AAUKIXHAHKGDMC-DNKZPPIMSA-N 542.419 5.493 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1Cl 408575073 VYBAJPGXDDOLQU-SANMLTNESA-N 539.057 6.625 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408647410 VKKUSDDKYFVESU-QKCPIRFBSA-N 686.546 5.935 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408683853 MINYMUZKCNQNRG-HZCFWTAGSA-N 666.128 5.590 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)n(-c2ccc(Br)cc2)n1 408694831 MQOBCUSGBJPKSV-UHFFFAOYSA-N 543.175 5.620 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1ccc(Br)cc1 408729238 BKMYERMVYQJTRO-VPHSIRQSSA-N 678.561 5.556 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4c(ccc5ccccc45)C3=C[C@H](c3ccc4c(c3)OCO4)[C@H]2C1=O 408732682 UBCUYZHOOIDPLD-NWIVXPOESA-N 574.545 5.307 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733940 SLBGOBITAJLMSO-PLQXQRLBSA-N 608.470 5.037 5 40 KKBB O=C(O)c1ccc(CSc2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C(=O)O)cc3s2)cc1 408749837 JJAQEVDLOGJQNS-UHFFFAOYSA-N 509.521 5.146 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408989453 HSHIOEIWNIEOFB-BUELQQIUSA-N 659.764 6.546 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(Cl)cc5[N+](=O)[O-])C(=O)[C@@H]34)c(=O)n2[C@@H]1c1cccc2ccccc12 409033337 DZYUJLNKBQYMOR-FDLUVVOFSA-N 807.284 6.716 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409049049 XZIQEGRCAHALRR-XSTKMXAKSA-N 740.604 5.983 5 40 KKBB CCCN1C(=O)/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)c2ccccc21 409122384 XMWBXWUGKDYVRC-NDENLUEZSA-N 666.253 6.680 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CCCc1ccccc1 409134198 NQWRSDVNEDPNTR-LFVJCYFKSA-N 553.434 6.605 5 40 KKBB CC(=O)Oc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409135238 XTSDOJXTCNRXCK-LJAQVGFWSA-N 507.546 5.882 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)ccc1Cl 409154731 OGGFVMDRMQRUFG-AUEPDCJTSA-N 728.883 7.674 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409195244 SREPJBQWOGIALK-CIAFOILYSA-N 622.824 6.681 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCSCc1ccc(Cl)c(Cl)c1 2089070 VPMZPAXBLNOGGN-UHFFFAOYSA-N 554.477 5.147 5 40 KKBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccc([N+](=O)[O-])cc4Cl)o2)N3)C1 8921703 YBNNZVNZYJVINQ-LJQANCHMSA-N 502.936 5.513 5 40 KKBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)CC1 59825771 BCJNVJVTMOGAPF-UHFFFAOYSA-N 529.018 5.364 5 40 KKBB COc1ccc(CCn2c(-c3ccc(F)cc3)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1OC 97998524 BIFMNOGTJFWRLM-UHFFFAOYSA-N 551.368 5.331 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F 97999675 UJVLNYRBWUCZLT-ZEQRLZLVSA-N 615.971 7.777 5 40 KKBB Cc1ccc(-c2nn(CC(=O)Nc3ccc4c(c3)nc3c5ccccc5c(-c5ccc(C)cc5)nn43)c(=O)c3ccccc23)cc1 97999693 IINUCVRRYQKRNR-UHFFFAOYSA-N 600.682 7.335 5 40 KKBB CC(=O)Nc1ccc(Br)cc1-c1nc2ccccc2nc1OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 98046255 CYSODALSWXLEEX-UHFFFAOYSA-N 619.859 7.951 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c3ccccc23)cc1 102928918 ZECTWTSZMVUWLV-UHFFFAOYSA-N 594.645 6.928 5 40 KKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 104221839 CZEHPIBMBDBRIF-UHFFFAOYSA-N 532.350 7.240 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(OC(=O)c6cccc([N+](=O)[O-])c6)cc5)c(=O)n42)c2ccccc2CC3)cc1 104657818 GZESXGKGJKSSMX-SAGCDJCOSA-N 615.667 5.455 5 40 KKBB O=C(Nc1cccc(S[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 150484690 PVGWETICMNLIJU-QICARQTCSA-N 661.523 6.735 5 40 KKBB CCCC[C@@H](CC)Cn1c(=O)c2cc(-c3cccs3)c3c(=O)n(C[C@H](CC)CCCC)c(=O)c4cc(-c5cccs5)c(c1=O)c2c43 217485968 MXCXQAUCCPZPDH-DNQXCXABSA-N 654.898 8.955 5 40 KKBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224196122 LBTAXCNVFRIPDC-MHZLTWQESA-N 533.694 5.691 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225073202 BUBCKWVTLIWSED-XIFFEERXSA-N 727.667 6.579 5 40 KKBB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225359815 KVENPFKBKYEFDY-UIOOFZCWSA-N 500.580 6.214 5 40 KKBB CCC1(CC)C[C@H](NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2O1 225805779 SNWHKPUWYGHZOM-VWLOTQADSA-N 567.664 5.306 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261036972 YBAOQELAALHHNW-UXHICEINSA-N 700.041 6.399 5 40 KKBB COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408559405 ZRKOBUIBGKVDTN-QHCPKHFHSA-N 596.830 6.219 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 408575067 VXHKNRBTONBENL-VWLOTQADSA-N 614.478 6.334 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4C(=O)O)cc3s2)cc1Cl 408749652 IFOURXAMPIHFFF-UHFFFAOYSA-N 557.009 5.848 5 40 KKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)o1 408838438 WFIAEASHNRNJSJ-LCQSEVKBSA-N 567.648 5.557 5 40 KKBB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 408918365 JPBRNHHXBKXWNW-CAZKKTPXSA-N 509.743 5.104 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409103230 GAJVGRHPQRRHFZ-IVRZUQNJSA-N 691.593 6.740 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409131740 YTYLNCKGAXYENR-KOEQRZSOSA-N 553.036 6.895 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)o2)cc([N+](=O)[O-])c1C 409172609 DMBYVHCLGBLHNS-SRZZPIQSSA-N 556.394 5.909 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 409182596 MYXJBINJHFOIFL-HEVIKAOCSA-N 644.592 7.065 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc2ccccc12 409264126 OVJRLBJNZJYNJH-LQKURTRISA-N 694.503 7.250 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Br)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409366117 ZIXYRRITZHZNIA-PLMBTIQCSA-N 692.588 5.755 5 40 KKBB CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCC(N(C)C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 1775953454 BFIVOHQEVXPDPI-SVJHNHOGSA-N 927.061 6.185 5 40 KKBB CC(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccc([N+](=O)[O-])cc3)S2)cc1 2049251902 JAHMOCIPIKTUPZ-FTJBHMTQSA-N 576.078 6.550 5 40 KKBB Cc1cccc(C)c1N(C(=O)COc1ccc(Cl)cc1Cl)C(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)N1CCOCC1 1436419 UHCKOKANBDNFBJ-HHHXNRCGSA-N 572.445 5.531 5 40 KKBB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2-c2ccc(C)cc2)cc1 6280103 DVWTWWUKFIDWJW-UHFFFAOYSA-N 519.583 5.111 5 40 KKBB O=[N+]([O-])c1ccc(-c2csc(NP(=O)(/C=C(\Cl)c3ccccc3)/C=C(\Cl)c3ccccc3)n2)cc1 105306678 ZYQGGQZCWKJUEZ-OZKZUFLSSA-N 542.384 8.883 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307810 WELCHSRXBXLENI-UHFFFAOYSA-N 537.601 6.283 5 40 KKBB COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc([N+](=O)[O-])cc4)n3-c3ccc(F)cc3)[C@@H](c3ccc(OC)cc3)C2)cc1 150410740 KFFHLQPYLCWLMU-WJOKGBTCSA-N 695.733 5.732 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163214214 NDPAETDSDVSDIA-KEPJHFNWSA-N 644.934 6.903 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1 163697380 ZETJUOQMTANAAY-IGSNNMATSA-N 696.785 6.840 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 197825386 KJTGCNLRXCTCDN-UHFFFAOYSA-N 669.059 5.902 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223601389 TUYAMMRDHWIPMD-PMERELPUSA-N 669.587 5.873 5 40 KKBB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224358029 LQFQDMAQAJQTOB-FQEVSTJZSA-N 621.543 5.286 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224745899 JWNXYASFCSPQNP-QFIPXVFZSA-N 687.613 5.346 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224950578 QIBFBXUGJXSYNB-DHUJRADRSA-N 702.805 5.945 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NS(C)(=O)=O 225464363 RKPJSSSPIOGLKA-RPBOFIJWSA-N 549.634 5.107 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Br)cc3)N3c4ccc(Cl)cc4C=C[C@H]3[C@@H]2C1=O 248078249 CASFWPMBCHBMJZ-LFBFJMOVSA-N 592.833 5.592 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccccc1F)[C@@H]1CCCN12 408568784 UPCZNECLBVFRJF-TUPPOGIXSA-N 552.400 5.222 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 408569947 KIJHKYLPRUKRHY-DEOSSOPVSA-N 579.893 7.234 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 408572761 RYQOSXIKWQBCLX-HSZRJFAPSA-N 563.438 6.719 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1 408662345 XWWLLHYMKBFTRM-GCKWNZSXSA-N 683.698 6.008 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(Cl)cc3Cl)c2=O)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408733290 XALNLMWSZNAFKT-BHFPBWTASA-N 668.555 6.100 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408928679 DEUBFXFUEBSPQX-WSDLNYQXSA-N 631.277 6.190 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(Br)c4)c(=O)n32)cc1OCC 408938716 SARYBDAOGJVYPH-FVMAXLJRSA-N 773.456 5.828 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OCC)c4)c(=O)n32)cc1OCC 408956839 ZTGYQMNEJDWTDO-IMDLGZNOSA-N 816.583 5.428 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409041276 UKPSFEYYIKYINB-OKMHPQNISA-N 769.614 5.686 5 40 KKBB COc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409088862 HJHLJFOIUOYLJI-NDENLUEZSA-N 593.443 5.177 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC 409097372 GLWVDUPLGKEUSL-GSTVVXAASA-N 635.746 5.023 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 409101983 XJVALCIWVYCZNY-MFKUBSTISA-N 656.511 6.409 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409161058 VUUOJSWJDBKCSY-ZMOGYAJESA-N 594.558 5.378 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409250981 ZFFMLOUXDCLBNK-WSDLNYQXSA-N 599.381 5.188 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1Cl 409264638 QMRWWHDKBPTEON-ZMOGYAJESA-N 678.888 6.750 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1SC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409266450 WXTGPFCUYAEQDP-UHFFFAOYSA-N 536.031 5.121 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409273660 KRKYQKYWRAMEKE-AUEPDCJTSA-N 598.977 5.941 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C)cc1 409275078 HXDSTRXAEOPQJC-AFUMVMLFSA-N 518.547 5.410 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409275860 MDNAGEJBEUKRKF-WSDLNYQXSA-N 587.532 5.665 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)N1CCc2ccccc2C1 409388807 XFBXSADDLMSPEB-CFRMEGHHSA-N 781.366 6.004 5 40 KKBB O=C(CSc1nnc2c3c4c(sc3n3c(SCC(=O)c5ccccc5)nnc3n12)CCC4)c1ccccc1 1827679 KMQAAPMKQMPLGC-UHFFFAOYSA-N 556.698 5.425 5 40 KKBB O=C(Nc1ccc(C(OC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 3180177 CGFZPNKCAYEKCD-UHFFFAOYSA-N 512.362 6.024 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 3348635 MEJDUPJNPRLAKF-UHFFFAOYSA-N 503.483 5.457 5 40 KKBB O=[N+]([O-])c1ccc(CSc2nnc(Cc3nnc(SCc4ccc([N+](=O)[O-])cc4)n3-c3ccccc3)n2-c2ccccc2)cc1 8433097 GNEMLRPQDQVRPY-UHFFFAOYSA-N 636.719 6.840 5 40 KKBB COCCOc1cc(NC(=O)c2sccc2Oc2ccc([N+](=O)[O-])cc2F)c(Cl)cc1Cl 8617879 NVDWMLOJEDWBBD-UHFFFAOYSA-N 501.319 6.172 5 40 KKBB Cc1cccc(NC(=O)CSc2nnc3c4sc5nc(CC(C)C)c6c(c5c4ncn23)CCCC6)c1 9271764 JXBZVLSCUWOBTM-UHFFFAOYSA-N 516.696 6.004 5 40 KKBB COc1cccc(-c2nc(C)c(-c3ccc(SCC(=O)Nc4ccc(F)c([N+](=O)[O-])c4)nn3)s2)c1 9578022 LILRDGMQOYFPRX-UHFFFAOYSA-N 511.560 5.362 5 40 KKBB COc1cc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc(OC)c1OC 10120244 FZWHOTYKMDRISG-WEVVVXLNSA-N 509.902 5.734 5 40 KKBB Cc1cccc(CNc2ccc3c(c2)c(-c2ccccc2)nc2cc(NC(=O)c4cccc(C)c4)ccc23)c1 16349224 SOUOPNZOHOLETH-UHFFFAOYSA-N 507.637 8.536 5 40 KKBB Cc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3N3CCN(C(=O)C(C)C)CC3)o2)c([N+](=O)[O-])c1 20412581 QKQUCWQQELRUOZ-UHFFFAOYSA-N 510.978 5.374 5 40 KKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20550438 YVAUPNVCKHTWEH-UHFFFAOYSA-N 516.554 5.624 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)nc2c1 21595642 OVCIWJSRAOWRGT-HXUWFJFHSA-N 512.610 7.405 5 40 KKBB c1ccc([C@@H](c2cccc3c2ccc2ccccc23)[C@@H](c2ccccc2)c2cccc3c2ccc2ccccc23)cc1 57677596 RFUAXVYDNSFUAI-COCZKOEFSA-N 534.702 11.263 5 40 KKBB in-vitro C[C@@H]1C[C@@H](N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1Cl 100131358 NHSJVHMTUNJUEZ-KWMCUTETSA-N 605.434 7.637 5 40 KKBB C[S@](=O)(=NP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 102921141 VSIMHFSSALKBBS-PSXMRANNSA-N 538.387 5.069 5 40 KKBB COc1cccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 103553443 XDKVONHITCMNLZ-KVOHOPFUSA-N 585.616 5.850 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 215176804 WRUHMONMSJFRRA-UFFVCSGVSA-N 559.915 6.333 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 215220211 XLWDAQIQENYZDZ-KTZMUZOWSA-N 633.860 6.564 5 40 KKBB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 224549211 PWNCRLIAJMWJOF-JWQCQUIFSA-N 502.552 5.444 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 224975491 QDGWREHLOIGNIB-RPWUZVMVSA-N 506.971 6.089 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225228655 HVJJRMISQMULOW-GDLZYMKVSA-N 545.705 5.917 5 40 KKBB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)c1 247914535 MADWQJQPOQQSHX-NLCLVCPQSA-N 601.615 5.594 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408565701 LTIXNVKCZXXZOM-BBFXTFFKSA-N 582.426 5.230 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1ccccc1 408566594 FRAPYZNXWPQZBT-QHCPKHFHSA-N 525.974 5.826 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 408571304 OHRHREQIVVQEAN-VWLOTQADSA-N 668.397 7.741 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1ccc(F)cc1 408571831 PQLZZXNKARSDGY-QHCPKHFHSA-N 577.863 6.820 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl 408571835 PQWZFOZHOXEADV-VWLOTQADSA-N 559.475 6.889 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408572027 QLCGYFFVBXKMGA-XMMPIXPASA-N 638.371 7.651 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 408572739 RXMSGPDIHDDCGL-DEOSSOPVSA-N 540.001 6.135 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Br)cc1 408605773 GRKLXYNNFCTXBX-UHFFFAOYSA-N 569.193 6.162 5 40 KKBB CCOc1cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408634210 SDBSKNKUIVXQFV-VYYCAZPPSA-N 606.657 6.086 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408646259 AQDSWSHVKBCZLB-PLKBCFBZSA-N 594.451 5.160 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408649143 KLYKNFXQDDNSKQ-HDDXADFGSA-N 608.434 5.965 5 40 KKBB CCCC[C@@H](C(=O)OCC(=O)Nc1cc(OC)ccc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408691265 ZCQSYTXYBNSVTB-ZDUSSCGKSA-N 607.230 5.554 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408782840 JZKSXNSBNAFXTO-MFCBUNOESA-N 729.524 5.038 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 408829855 KSASRACDNVZCCQ-IVQFASICSA-N 607.713 5.876 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n32)cc1OCC 408938120 RTWMJVNGTDTZCR-MKTOWPBFSA-N 820.456 5.670 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408956112 YRILWAZJMKQEGY-GRXWAMFVSA-N 684.952 5.320 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408980196 FBZLWWZTJKQJCG-VCLSCOGJSA-N 742.206 6.102 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409033747 PJKAINFGAUSPDU-STOXBUQISA-N 693.778 6.235 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409050773 ZOZPVDIGFYGUMQ-SLDXWZKBSA-N 796.649 5.007 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409109002 ZJWBTNXSWUSETJ-LBLGWMPZSA-N 665.753 5.184 5 40 KKBB Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 409183919 VBMWSSPHWVLLCF-PMERELPUSA-N 502.526 6.899 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409234497 LCDWRESJONKPJA-CIAFOILYSA-N 551.415 5.408 5 40 KKBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 409334709 MQHWXQHGAQLYCX-DJWKRKHSSA-N 543.157 5.623 5 40 KKBB CC[C@@]1(C)Cc2c(sc3c2c2nnc(SCc4ccccc4)n2c2nnc(SCc4ccccc4)n32)CO1 1786280 YLEMUVMDGZYWNO-NDEPHWFRSA-N 558.758 6.813 5 40 KKBB Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)c(C)c1 1874138 BDDQCWPLLWNVNF-SSEXGKCCSA-N 553.626 7.501 5 40 KKBB O=C1c2cc(I)ccc2N[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1c1ccc(Cl)cc1 2746129 HQCLKIGGYARMNO-QHCPKHFHSA-N 571.758 6.884 5 40 KKBB O=C1OC(c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)(c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c2ccccc21 8397671 XXIULLVUNKZXIZ-UHFFFAOYSA-N 650.512 7.366 5 40 KKBB O=[N+]([O-])c1ccc2nc(Nc3ccc(I)cc3)c(Nc3ccc(I)cc3)nc2c1 8398419 PQGHTZIAPACYRV-UHFFFAOYSA-N 609.165 6.234 5 40 KKBB O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16384654 FDAALXVPBRSFOC-UHFFFAOYSA-N 514.287 6.143 5 40 KKBB COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2)cc1OC 33630706 NKJVRJNYQOKWPS-UHFFFAOYSA-N 510.553 5.122 5 40 KKBB CC(C)c1ccc(-n2c(O)c(C(=O)c3ccc(F)cc3)c3c2nc(-c2ccc(F)cc2)[n+]2c4ccccc4sc32)cc1 97982671 PSRQGAWESKNIKN-UHFFFAOYSA-O 576.648 7.984 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(-c3ccc(OCc4ccccc4F)cc3)cc(C(F)(F)F)c12 98045691 JCAREHAYPUXWAE-UHFFFAOYSA-N 522.458 7.041 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)OC(c1ccccc1)c1ccccc1)N1c3ccccc3C=C[C@H]21 102437684 OUSQTBGMORHWRY-VTMRUAGOSA-N 585.616 5.626 5 40 KKBB O=[N+]([O-])c1ccc(C2=CSC3=NC4=C(CCC/C4=C\c4ccc(OC(F)F)cc4)[C@H](c4ccc(OC(F)F)cc4)N23)cc1 102451781 AGKBGYGLVIJTDB-ANWZYTIRSA-N 609.601 8.777 5 40 KKBB CCCN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 102551429 GXZQKPLOOCLENM-HKWRFOASSA-N 578.366 5.196 5 40 KKBB O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[C@H](C(=O)c1ccc2ccccc2c1)[C@H]1OC(=O)c2ccccc21 102980501 JVKNCBVJIVEUBW-OZXSUGGESA-N 562.456 5.685 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 104083941 FRDINEHXLNDHTJ-UHFFFAOYSA-N 561.019 6.424 5 40 KKBB O=C(O)[C@@H]1[C@]23c4c5cc6c7c4c4c8c9c%10c(cc(c97)C6)Cc6cc7cc9cc%11c(c%12c(c%13c-8c-%10c6c7c%13c9%12)[C@H]42)[C@]13[C@@H](C=%11)C5 169795985 ZADJNWVKEGRDBR-NEYCNRAKSA-N 540.577 7.285 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222838853 FDRHUFMZIBOMGL-YTTGMZPUSA-N 707.647 5.965 5 40 KKBB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 223837208 QJHQGXXDTXDTCN-UIOOFZCWSA-N 516.579 5.834 5 40 KKBB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 229969807 SBACVMWRUYNGQB-FVYOSNSJSA-N 585.572 5.305 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 260960834 YOIAVUGDUJAXSS-GDLZYMKVSA-N 671.614 5.212 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408642770 FDZQEZVMFJDHOY-RAWLKHAVSA-N 592.007 5.381 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408728318 JQZAKEGIUBKTIK-WXHPKRHJSA-N 685.563 8.399 5 40 KKBB COc1ccccc1N1C(=O)c2cccc3c(Nc4cc(C)c(C)cc4Br)c([N+](=O)[O-])cc(c23)C1=O 408993438 CWOVIGMEVMCIAX-UHFFFAOYSA-N 546.377 6.680 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c2=O)=N1 409030067 CADLOMIDTCSEAY-SELCLYCASA-N 678.163 5.736 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1 409044680 ORQOSUZDNUDKRJ-LCQSEVKBSA-N 587.654 5.062 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409159862 ARXUDSPHPREINB-INJWXVQMSA-N 638.529 5.901 5 40 KKBB CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O 409206735 WSDZRSZBFKCOJV-FYJGNVAPSA-N 640.452 5.557 5 40 KKBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)CC2)cc1 20528875 FEWRLZCTLYHVFU-MKMNVTDBSA-N 519.001 5.425 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc2[N+](=O)[O-])cc1 32124791 WIEYFYODCOSRQD-UCQKPKSFSA-N 519.604 6.038 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc5c(c3)OCO5)N4)cc([N+](=O)[O-])c2)cc1 97999848 HUUKEYFCAKUFAJ-NVQXNPDNSA-N 611.533 6.624 5 40 KKBB Clc1ccc(-c2nc3nc(-c4ccc(Br)cc4)cc4c5ccccc5oc(n2)c34)c(Cl)c1 101085667 MJAUWKPBYNCSLE-UHFFFAOYSA-N 521.201 8.328 5 40 KKBB CCCCCOc1ccc(N2C(C)=C(C(=O)OCC)C(c3cccc([N+](=O)[O-])c3)C(C(=O)OCC)=C2C)cc1 103692156 MJIRKWCFGQACFK-UHFFFAOYSA-N 536.625 6.442 5 40 KKBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 104086930 DSDGOIUPOMPLDG-QDEBKDIKSA-N 555.418 5.525 5 40 KKBB CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 112229211 AMDPOMHZGWYYLK-UHFFFAOYSA-N 545.621 5.490 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150396037 XVHCLDUCGYWOBY-OTHIGLTOSA-N 677.735 5.440 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c2=O)=N1 163467067 RRMRVBRSCYUVPR-IMUCPKNRSA-N 783.539 7.714 5 40 KKBB COC(=O)CCCC1(c2ccccc2)[C@@]23c4c5c6c7c8c9c(c%10c%11c2c2c%12c4c4c%13c5c5c7c7c8c8c%14c9c%10c9c%10c%11c2c2c%11c%12c4c4c%12c%13c5c5c7c7c8c8c%14c9c9c%10c2c2c%11c4c4c%12c5c7c5c8c9c2c45)[C@]613 169724071 MCEWYIDBDVPMES-TVMORXBRSA-N 910.902 18.589 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225592058 LRWQOXIOCLTOGV-JIPXPUAJSA-N 601.125 5.166 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225624569 JHXZRGNBBADFAF-SKCUWOTOSA-N 645.178 5.483 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O)N1CCCC1 408550421 HCXHQMYKTSBWLN-YBFXNURJSA-N 536.393 5.139 5 40 KKBB COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1 408551082 AWMGNSDBQSHRNH-UHFFFAOYSA-N 518.307 5.348 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 408565216 BHWWYNLSFNUZOQ-RUZDIDTESA-N 559.475 6.970 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1cccc(F)c1 408566197 FAUOOMZYPFMVST-RUZDIDTESA-N 508.575 5.721 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F 408570867 MBYJRQQUACWJNS-DEOSSOPVSA-N 621.916 7.219 5 40 KKBB CCn1c(S/C(=C\c2c3ccccc3cc3ccccc23)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408634046 RIZZVDOXEYXMTO-ONUIUJJFSA-N 511.603 6.506 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408649116 XMOBPIJRZLNBEV-UHFFFAOYSA-N 635.372 6.138 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408686870 SNEVVYRIDPCOKY-UHFFFAOYSA-N 785.852 7.805 5 40 KKBB CC(C)c1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1 408748477 AUCZQFJCNLHDGS-UHFFFAOYSA-N 550.618 6.009 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408854383 DMVZUHUBMODYOI-MFCBUNOESA-N 652.523 5.516 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1OCC 408913266 SKZSEQFUZWDGDE-SAGCDJCOSA-N 666.756 5.425 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409037528 SQTNWMQRKCSERN-ZMTYCLHQSA-N 799.640 5.695 5 40 KKBB CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409134582 WHXPYRSFKQLPTO-FQEVSTJZSA-N 551.456 5.371 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409187661 AKDZGAOVGQBIKW-MIUGUJGPSA-N 751.674 6.738 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409190339 XFHBDTKVFDBDLK-BUELQQIUSA-N 795.343 7.732 5 40 KKBB COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409268384 ZKRIVEOHOOHMHZ-UHFFFAOYSA-N 524.382 5.053 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409368667 GYBJTQFWZYBWFX-UHFFFAOYSA-N 587.636 7.162 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)N1CCCCC1 409382036 KUMWGCRMDQLQQC-NDENLUEZSA-N 733.322 5.432 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)C2=O)o1 409402583 XAPWAQFEAFKEEN-LSCVHKIXSA-N 580.764 5.607 5 40 KKBB CCCC[C@H](CC)Cc1ccc(-c2c3sc4ccsc4c3c(-c3ccc(C[C@@H](CC)CCCC)s3)c3sc4ccsc4c23)s1 1776010847 CLTVRFNIVLMSQU-ZEQRLZLVSA-N 691.156 15.520 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 1310827 ALPBRAWMIUYVDR-NBJHOTSESA-N 559.553 5.590 5 40 KKBB O=c1c2c3c(sc2nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1-c1ccc(Br)cc1)CCC3 3251991 NLIGJZABRCNARM-UHFFFAOYSA-N 545.396 5.666 5 40 KKBB O=C1S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 3769588 CWJQBJRPPIHRHY-ZMOGYAJESA-N 514.519 5.743 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)c3cccc(Br)c3)CC2)ccc1[N+](=O)[O-])c1ccccc1 9601752 PPLATSLSEIZCQR-SFHVURJKSA-N 509.404 5.493 5 40 KKBB COc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2-c2ccccc2C)c([N+](=O)[O-])c1 12657808 UOABWAIWMIZWNY-UHFFFAOYSA-N 514.567 5.372 5 40 KKBB C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)N(CC)CC)C(CCC(=O)N(CC)CC)=C4C)c(C)c3C=C 82186187 XZPPEGWHVPCGON-UHFFFAOYSA-N 672.918 9.072 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306105 KGBDAEPFEQCHOH-UHFFFAOYSA-N 580.464 6.283 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307818 GPAZEGRZBUXKSI-UHFFFAOYSA-N 538.054 6.252 5 40 KKBB O=C(Oc1ccc2ccccc2c1Cc1c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 150409860 CKRHYFIIGYTFBW-UHFFFAOYSA-N 667.457 9.145 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223805467 SNCOCXHJHQJOEK-FNZWTVRRSA-N 552.469 5.455 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224435435 WWXXQCPHVSGTKW-JGCGQSQUSA-N 772.118 6.689 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224579524 DYGNXINSOQXEQF-RUZDIDTESA-N 588.488 5.844 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224682715 LVEDLIVPTBATBR-NDEPHWFRSA-N 645.178 5.340 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225516966 XFJQZBNZAULIKX-HHHXNRCGSA-N 598.563 6.147 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260976447 APJJXJFKXOCHOO-PGUFJCEWSA-N 702.830 5.528 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 408567801 HLKAMWSXPAWLTN-AREMUKBSSA-N 692.430 7.587 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 408576042 XGJJHGQKNAACKC-AREMUKBSSA-N 504.612 5.890 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 408576738 YFTPLJHKAUZVGF-XMMPIXPASA-N 589.899 6.689 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc(Cl)c1 408577166 YQEULBMDVXBRQD-HSZRJFAPSA-N 607.889 6.828 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408634157 PTQXZNHYUYCCIQ-BKUYFWCQSA-N 510.959 6.313 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12 408720312 KZDQCOHLCFMGTN-TVNKHIRZSA-N 520.585 6.009 5 40 KKBB Cc1nn(-c2ccccc2)c(O)c1C(c1c(C)nn(-c2ccccc2)c1O)[C@H]1C=CC=C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 408737799 XSJUQGXPLKDHTM-NSOVKSMOSA-N 603.635 6.094 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 408852807 NQQFLVMZTTYGJR-YWEMJKAQSA-N 646.725 5.760 5 40 KKBB O=c1/c(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2nc3ccccc3n12 408902303 HFEFBKWTLJNFQO-JAIQZWGSSA-N 587.249 5.469 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 408928160 WMCIGUFETUOQSZ-VSQRRKBNSA-N 660.155 6.439 5 40 KKBB Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 409042389 KMPGBGNRYZJEBH-UCQKPKSFSA-N 742.329 6.807 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409107212 RAHIRZSJNLERPK-DWBFVIGNSA-N 685.806 6.177 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409171793 ANKMCXFGFTZZLC-KEBDBYFISA-N 558.772 5.696 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409180309 WEIUKIINBZXAAC-UHFFFAOYSA-N 625.804 7.188 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 409181220 ZJVGERDLKJTEQU-CIAFOILYSA-N 511.943 5.746 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O)N1CCCCC1 409376765 AXWZGGJBNIWKRA-LSCVHKIXSA-N 510.355 5.210 5 40 KKBB Fc1ccccc1-c1nc2ccc3c(-c4ccccc4F)nc4ccc5c(-c6ccccc6F)nc6ccc1c1c6c5c4c3c21 1776010770 FPZBNGSWXLLMIZ-UHFFFAOYSA-N 585.588 10.523 5 40 KKBB O=[N+]([O-])c1ccc(Sc2nnc([C@@H]3COc4ccccc4O3)n2-c2ccccc2)cc1C(F)(F)F 2644318 BIPFQQHNUKBIHF-FQEVSTJZSA-N 500.458 5.858 5 40 KKBB O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl 2746968 ILKGYSKBWSSJOU-UHFFFAOYSA-N 567.341 7.107 5 40 KKBB CCN(CC)CCC[C@H](C)Nc1cc(C)nc2c1ccc1c2ccc2c(N[C@H](C)CCCN(CC)CC)cc(C)nc21 5663767 CKCJECFVTUNGND-WMPKNSHKSA-N 570.870 8.398 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 8401380 LBPIKEOTYWIBMX-MIUGUJGPSA-N 683.661 5.925 5 40 KKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 9076575 PNMBQLSWDFAKJN-UHFFFAOYSA-N 502.962 5.913 5 40 KKBB O=C(OCc1csc(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 12546991 MNOYMYGWNGTMNC-UHFFFAOYSA-N 513.619 6.534 5 40 KKBB Cc1ccc(-n2nc(C(F)(F)F)cc2OCc2nc3c4sc5nc(C(F)(F)F)cc(C)c5c4ncn3n2)cc1 97948322 CADPUVQRUUCEAR-UHFFFAOYSA-N 563.487 6.306 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 97954445 VFDJNELIPCLBFQ-DSNGMDLFSA-N 550.354 6.213 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 100097690 VKTGCJVCOJANOJ-QFIPXVFZSA-N 520.895 6.087 5 40 KKBB COc1cc(-c2nc(NC(C)=O)c3c(=O)oc4ccccc4c3n2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 102048211 PSLCIHVLBJTCAV-UHFFFAOYSA-N 538.560 5.005 5 40 KKBB COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC 102792873 VHAYLQVBACKSHU-QQOMFYSDSA-N 557.603 6.066 5 40 KKBB O=C(NC(=S)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307939 ICPFWSKIWQSOLW-UHFFFAOYSA-N 537.605 5.209 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 106745205 UPUWIANNPNFQLY-UCQKPKSFSA-N 549.517 5.357 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223693714 MGNFPCDXTPYZCG-SSEXGKCCSA-N 669.587 5.873 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223725324 PHSPDMRKTIEYCM-DEOSSOPVSA-N 560.434 5.065 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl 224066030 ZHEBUOOAKWTQIO-FTJBHMTQSA-N 550.040 5.636 5 40 KKBB COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224766528 ZFKAXKTZIKPUMH-IHLOFXLRSA-N 579.707 7.117 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260915842 ZDROVENONHPFFD-MGBGTMOVSA-N 737.673 6.034 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 408565766 MCQILYCHOHJUDX-DEEGFUGBSA-N 578.463 5.481 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)cc1C 408571878 PSZDIFPGFNKDQE-VWLOTQADSA-N 553.482 6.644 5 40 KKBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408660527 QGYHWQITVCUHST-KPHNHAPKSA-N 599.426 6.049 5 40 KKBB O=C(OCc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408666533 VBIOCTHXIPSXAG-GJLUAVECSA-N 627.480 5.843 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733397 IFEDYBNTTQUWLO-UTWPHBJQSA-N 717.392 5.809 5 40 KKBB O=c1/c(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)sc2nc3ccccc3n12 408902855 MIMMFXXPLFDCCE-JAIQZWGSSA-N 587.249 5.469 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408986176 OIRFZIBWKYNOHS-TVRVIFGSSA-N 786.657 6.211 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409043900 FTTDCGKUZHWFPX-PGUFECHJSA-N 939.519 5.445 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409078189 GXBXILSCWHXBRY-ZCWBPALNSA-N 682.549 5.445 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409183469 SPOBNZKVSYMEKM-HHHXNRCGSA-N 615.938 5.747 5 40 KKBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O 409204203 DLXHBBVBZFJHLZ-MNUWJXFPSA-N 579.425 5.323 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1C 409347976 OAFVNTYKFLYBCQ-FQEVSTJZSA-N 551.456 5.196 5 40 KKBB CCCC[C@H](CC)Cn1c(=O)c2cc(-c3ccc(Br)s3)c3c(=O)n(C[C@@H](CC)CCCC)c(=O)c4cc(-c5ccc(Br)s5)c(c1=O)c2c43 1776010856 DTTOXIQTFZBNDH-VXKWHMMOSA-N 812.690 10.480 5 40 KKBB O=C(COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)N1CCOCC1 59651944 HJHPCGZPQPDGPO-XIFFEERXSA-N 592.652 5.194 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)COc5ccc6c(c5)oc(=O)c5ccccc56)CC[C@]4(C)[C@H]3CC[C@@]21C 79204297 OIFDUXHQKJARTG-HSCMKLLHSA-N 638.889 10.278 5 40 KKBB biogenic O=c1c2cc(I)ccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccc(Cl)cc1[N+](=O)[O-] 100026104 IWNQEVGTVAMBRH-XCVCLJGOSA-N 545.720 5.428 5 40 KKBB COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC 101408116 XBCKJXJJUQENJG-SBOZMKGBSA-N 557.603 6.066 5 40 KKBB COc1c(Br)cc(Br)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 104125296 ROCQRYKSOBGXLH-UHFFFAOYSA-N 513.167 5.504 5 40 KKBB CC[N+](CC)(CCN1c2ccccc2Sc2ccccc21)CC[N+](CC)(CC)CCN1c2ccccc2Sc2ccccc21 104451672 UUEQHHFHVMAYHA-UHFFFAOYSA-N 624.964 9.305 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OCc6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)cc1 104657122 GZALSBOZEVXHOH-WXKAHTKJSA-N 601.684 5.815 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306148 KEDSCOSHBXZOTK-UHFFFAOYSA-N 570.458 6.827 5 40 KKBB O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)/C(=C\c2ccc(F)cc2)CCC1 105600592 FPHYAICONJDWSC-FUWOTOHESA-N 541.579 5.669 5 40 KKBB COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 106696145 UEIMFAIAMULWPF-JJFYIABZSA-N 525.470 5.680 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 106740289 LZTPJDBTMJXIBN-MTJSOVHGSA-N 578.983 5.400 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)c1 111468528 RWZHCIFESCTKLU-UNDLXJOSSA-N 606.660 5.359 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 138819973 YKQVMMHYRZHZKD-HCXPYDJZSA-N 608.448 5.807 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2s1)NCCOc1ccc(Cl)cc1 163953261 OZABIFSWGAVBLJ-UHFFFAOYSA-N 646.197 6.486 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 214613339 YICXQWZOGHHKSF-ZVHZXABRSA-N 583.460 6.880 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223552263 NSJFIZNBIJHXAB-NLGDKJDOSA-N 663.196 5.998 5 40 KKBB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 223837383 QJHQGXXDTXDTCN-CLJLJLNGSA-N 516.579 5.834 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225280558 QPFGOQDPKPHJEL-BHVANESWSA-N 747.314 7.158 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225474031 GVQYVANCTVWOQA-UMSFTDKQSA-N 690.794 5.803 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225590174 RUOJDCRBSDVKCT-AREMUKBSSA-N 542.463 6.001 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225706498 SJHMROCFIYMAGP-LYZGTLIUSA-N 679.623 6.136 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260998302 PCGAQEJZZFUHBD-JGCGQSQUSA-N 776.139 7.622 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261000006 PISGIUCNHRLHSY-MGBGTMOVSA-N 675.207 6.142 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261017286 HWVKBZUJFWNTDG-HXUWFJFHSA-N 710.047 5.855 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408563814 AXISQPVHCFXRBU-OWAPCWAPSA-N 566.452 5.303 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c1 408565448 BXDLVJSPLSVEPR-DEOSSOPVSA-N 608.345 7.643 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1C 408571864 PSVVANAHDIVZMK-RUZDIDTESA-N 527.021 6.674 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl 408573050 SHBUSIJMGDWCFA-SANMLTNESA-N 589.501 6.979 5 40 KKBB COc1ccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408575522 DWXHNVDMLLZZNQ-UHFFFAOYSA-N 524.382 5.053 5 40 KKBB Cc1ccc(NC(=O)COC(=O)c2c(C)c(-c3ccc(OCc4ccccc4)cc3)nc3ccccc23)cc1[N+](=O)[O-] 408644488 FZVIWXGONULZII-UHFFFAOYSA-N 561.594 6.801 5 40 KKBB O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 408651744 HFRRYBXUMKXXCI-LGAXSRDJSA-N 578.452 5.687 5 40 KKBB O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408663390 SCQZQHNWAZSVIJ-KPHNHAPKSA-N 633.871 6.703 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408734352 XEJXULLJFDQECZ-JHUDVDCUSA-N 720.587 6.861 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408736167 JGORRHJVGQJHTB-OBDCIHEFSA-N 676.589 6.171 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408832286 RVCRMIIKPNUBQH-LCQSEVKBSA-N 678.561 5.365 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1cccc(F)c1 408916242 AACKYIPATSUIIO-YDZHTSKRSA-N 634.423 6.553 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 408927514 PTZNJPUCOYHRMR-CUJVHFRDSA-N 684.730 5.576 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408991799 YURYRXWHIDYXCF-KDNBERQASA-N 720.985 6.528 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)cc1 409098890 RESHEBBBJVCRGT-YDZHTSKRSA-N 587.532 6.480 5 40 KKBB Cc1c(Cl)cccc1NCc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409122185 YHYQPLNCOPBAMK-UHFFFAOYSA-N 540.639 7.273 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1Cl 409181304 AUGCPNRUSWJLTQ-SSDVNMTOSA-N 525.970 6.108 5 40 KKBB CCc1ccc(-c2cc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c3ccccc3n2)cc1 409182012 HVYBWSQALJWFTN-UHFFFAOYSA-N 504.542 7.522 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409258295 VXVRBJXTBXDGFD-WYMPLXKRSA-N 601.559 6.706 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1 409272587 NKXABYBKAQOCLA-JMIUGGIZSA-N 599.768 8.063 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Br)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409366111 ZIXYRRITZHZNIA-KAEGSSFASA-N 692.588 5.755 5 40 KKBB COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccccc2)cc1 3322015 MRNSAXIYFHLRFQ-GDLZYMKVSA-N 555.598 6.893 5 40 KKBB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 6093208 QFNKGIWVXOMVJB-GOSISDBHSA-N 539.610 5.186 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(I)cc1 8383930 DKQURGYNAFZILY-YDZHTSKRSA-N 602.406 6.024 5 40 KKBB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 23968605 RPVOWJQJQLLGEI-LJQANCHMSA-N 505.518 5.925 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 44802985 XWXDXKFBECWAIF-UHFFFAOYSA-N 517.991 5.016 5 40 KKBB COc1ccc(Oc2ccc([C@H]3NC[C@H](c4ccccc4Cl)c4c3[nH]c3ccccc43)cc2[N+](=O)[O-])cc1 53356845 JZRNXBOFRKPUDV-RNWIMVQKSA-N 525.992 7.355 5 40 KKBB CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@]2(S1)c1ccccc1C(c1cc(C)ccc1C)=NN2c1ccccc1 97953130 YMRLJSHHQUAYLS-WJOKGBTCSA-N 547.640 6.750 5 40 KKBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)C2=O)c1ccc(Br)cc1 101064929 RIYCMGVCSKUWBS-UHFFFAOYSA-N 585.366 5.865 5 40 KKBB O=C(COc1ccc(Br)cc1)/N=c1\oc2ccc3ccccc3c2cc1-c1nnc2n1CCCCC2 102944758 LKYUPHXXNKBQPU-HYOGKJQXSA-N 543.421 5.840 5 40 KKBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1C(F)(F)F 103091047 BVWFNQUVHQQKHD-UHFFFAOYSA-N 548.326 5.754 5 40 KKBB CCCn1c(C)cc(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc([N+](=O)[O-])cc2)CCC3)c1C 103139122 MTJGCOMIKFUFKB-NKFKGCMQSA-N 537.616 6.888 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n31)c1ccccc1CC2 104655231 ZBTFBCUDFJWSTQ-ACHQHTMYSA-N 601.684 5.815 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c2=O)=N1 150392477 JKTHNKUOOZRZQA-KMCFWPMWSA-N 653.713 5.917 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 150454885 KCQXYCBKGSSDBT-OCBJUFRSSA-N 629.647 5.202 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 150611736 ABJOTKAYFPPSCN-ZMTYCLHQSA-N 675.594 6.633 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214627036 WGQZACAWEDHLLZ-ZMOGYAJESA-N 535.534 6.239 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 215005852 SBOMCGBJLIHHAH-ZMOGYAJESA-N 559.427 7.116 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223988744 XJULNXOEOXEZHM-OOXUFLSTSA-N 737.275 6.324 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225071487 CPSDWGRWBRZYAM-XZOQPEGZSA-N 645.178 5.401 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225224366 SQLIPKGOLLIDHC-GDLZYMKVSA-N 661.608 6.353 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225321609 UTUFIQNZOPZNMW-VWLOTQADSA-N 700.041 6.401 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225578526 TVZUTVQSHUMJMT-MGBGTMOVSA-N 776.139 7.624 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260938870 RFZYFKBCOREDGD-PSXMRANNSA-N 767.732 7.503 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261005537 QYKUVKXCMRELJX-MGBGTMOVSA-N 709.652 6.796 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2cccc3ccccc23)c(Br)c1 408564432 CVCJRIYGFMHJBV-OZXBBSPYSA-N 558.432 5.750 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc(Cl)c1 408564907 ASDYPOUIOXYGAF-XMMPIXPASA-N 603.926 7.079 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 408572035 QLGLNLVQKBWXQH-HSZRJFAPSA-N 533.412 6.711 5 40 KKBB COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)C3)cc2)c1 408641303 CKQKZKJTPKRIJS-VWLOTQADSA-N 594.576 5.269 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408643924 QGRCWHBLEPXXBC-DHIUTWEWSA-N 596.423 6.109 5 40 KKBB O=C(CCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccc(Cl)cc1[N+](=O)[O-] 408668352 WIRAHMFZZKCDKI-QULSYZCUSA-N 585.827 5.275 5 40 KKBB O=c1/c(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408767540 MGLUNXWNJLZLMO-LRUGRNCASA-N 603.685 5.847 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408811941 KWPCWHHGRNOTKO-WGJPBTIMSA-N 744.595 6.333 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 408823223 NGDHARIPLPJJBS-MFCBUNOESA-N 682.980 6.010 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)cc1 408919574 BEEMZHBVWHSCHD-MFCBUNOESA-N 589.695 5.385 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408937616 KDSPOOXCQYAJJH-UAMLYEQYSA-N 722.614 5.844 5 40 KKBB COc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409085421 XCMAPENAAQDLQR-NDENLUEZSA-N 501.992 5.226 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409086824 RUOQZGRRAFIRLW-HRIDGTDGSA-N 613.533 5.876 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409100663 RIQVQSWRGNJFQR-PYCBVSLESA-N 647.153 5.253 5 40 KKBB CC(C)CN1C(=O)/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c2ccccc21 409120237 UTYHDBSHCKZVPZ-NHDPSOOVSA-N 680.280 6.926 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)ccc1Cl 409159664 WBTNEKJOKHRLPO-WGARJPEWSA-N 688.136 5.956 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409243357 VVWZDVCKRYYJER-FSJBWODESA-N 566.408 5.736 5 40 KKBB O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 409412092 RAHRRFQBROILEH-UHFFFAOYSA-N 560.817 5.695 5 40 KKBB C[C@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3426437 GCAFHMSMIUCLKO-AWEZNQCLSA-N 541.054 5.676 5 40 KKBB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 16249829 YYNYLFIQBLBHRD-UHFFFAOYSA-N 518.525 6.950 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 22834421 JSQVWGMVGCKCEC-XYOKQWHBSA-N 510.381 6.630 5 40 KKBB C[C@@H](Nc1cc(N2CCN(C(=O)c3cccc(Br)c3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100134346 WQANEFMAUXUJTE-HWWKNPRSSA-N 567.528 6.337 5 40 KKBB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)ccc1OCc1cccc(Cl)c1 100912648 SRBGMCBGEUXJBO-ZDXQCDESSA-N 610.069 5.381 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 105311502 BIXRZCQVCFTSHH-UHFFFAOYSA-N 547.445 6.704 5 40 KKBB COc1c(I)cc(I)cc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 150463433 BWFQJONMNSQJBX-CHHVJCJISA-N 622.178 5.049 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccccc1 164518825 AJMOPVVMGNWFKR-QZEHYWIXSA-N 728.830 7.969 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1Cl 205699584 NSTBKZYSCLDGPJ-YDZHTSKRSA-N 510.955 6.072 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224862646 ZGYPCJHQSVJCLD-NRFANRHFSA-N 726.079 6.934 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260885752 CKHBEEMFXSSNQC-PMACEKPBSA-N 621.543 5.429 5 40 KKBB CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1 408564129 YCORKEVMZVJEEO-XDOYNYLZSA-N 505.350 5.119 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 408572485 RHMGCDIRFXSGCG-NJLXRYBVSA-N 577.262 5.903 5 40 KKBB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccccc3Cl)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c1 408638776 DJKADHCYZKCJLL-UHFFFAOYSA-N 613.966 5.012 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408689465 YGESXUILFXUMQT-SNINSWTHSA-N 642.081 5.738 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 408822430 BRIBQFSNGRTKJO-QARYAGPDSA-N 713.950 5.610 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 408926090 OGURZXQVHIJJGE-UHFFFAOYSA-N 635.507 5.536 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1C 408928969 GDYIKGBASNPEKG-JFLMPSFJSA-N 554.628 6.198 5 40 KKBB COc1cc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc(OC)c1OC 409192334 WLNBFMHVGITVBL-KPFFVQBGSA-N 609.385 5.346 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409234717 XPRKZRXFOUZFDY-YDZHTSKRSA-N 553.980 5.511 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1 409270561 HGXCIYCZWNXXJK-FSJBWODESA-N 548.533 5.587 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1C 409273630 KKSLEPBDTCWQQV-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c2)cc1C 409378796 SBUMZUCUFONGIB-OYKKKHCWSA-N 517.563 5.466 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 409388140 KMFPZCFTAFTRPO-UHFFFAOYSA-N 508.383 5.040 5 40 KKBB CC[C@H]1CCCCN1Cc1ccc(NC(=O)CCC(=O)[C@H]2CC(C)(C)[C@@H]2CCc2cnc(-c3cccc([N+](=O)[O-])c3)[nH]2)cc1 643913340 RPUMLEYWGJEMRW-LHGWWSMPSA-N 599.776 7.332 5 40 KKBB CCOc1ccc(C2=N/C(=C\c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)C(=O)O2)cc1OCC 6270616 SUXDQHJWTBMJSH-UYRXBGFRSA-N 547.614 6.498 5 40 KKBB O=C(Oc1ccc(N(C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1 8425971 CNKUJLVTCOQYAV-UHFFFAOYSA-N 571.394 6.157 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@H]2C(=O)N1c1ccccc1 13776666 ZKZRMTNQMHPEDV-UBFVSLLYSA-N 515.909 5.559 5 40 KKBB COc1ccc(Oc2ccc(/C=C(/C(=O)NCc3ccccc3)c3nc4ccccc4[nH]3)cc2[N+](=O)[O-])cc1 14361397 CDQDSYIGMDJVAI-JJIBRWJFSA-N 520.545 6.129 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 32114729 FRUCVCZLFLNHAU-UHFFFAOYSA-N 509.905 7.722 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 38205182 CGSFBXDSQQPERV-MGVMFVDVSA-N 520.416 7.584 5 40 KKBB Cc1ccc(-c2csc(NC(=O)COC(=O)[C@@H](C)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1C 97982323 SOSQVIIUMFHAHF-CQSZACIVSA-N 522.505 5.336 5 40 KKBB O=C1C(Nc2ccc(Br)cc2)=C[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Br)cc1 100891877 AEWVWCKJBQGDSO-NRFANRHFSA-N 529.188 6.204 5 40 KKBB O=C(c1ccccc1Cl)[C@@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101673788 FKWLUXZNSYSCKD-TVNXZVQQSA-N 576.008 6.230 5 40 KKBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c2)N3)C1 102156474 BOJWIJXYDNXOAA-JOCHJYFZSA-N 569.552 5.309 5 40 KKBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(F)cc1F 102165762 BZAVZMAGJVECOF-UHFFFAOYSA-N 516.309 5.014 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 105304608 AFSZBUSPEJVGHI-UHFFFAOYSA-N 526.574 6.913 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105315359 NNDWBNJJPLXGMC-UHFFFAOYSA-N 528.590 5.485 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106379013 ZCZBGWICHNGGRN-UHFFFAOYSA-N 568.833 5.162 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222568377 VARRQUCZAKKMOP-PMERELPUSA-N 683.158 5.286 5 40 KKBB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1cccnc1 224763773 RIRLOZZJBNJBCO-IOWSJCHKSA-N 592.750 7.180 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225040683 KDZURHGGDLPWAU-WJOKGBTCSA-N 683.614 6.262 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 225658519 YBNOVAXRTFDULT-RRPNLBNLSA-N 527.606 5.560 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260929826 HJXCHVDWVUFGCS-ZBLYBZFDSA-N 601.125 5.166 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260948222 UNEUDFWYOZGYFJ-PSXMRANNSA-N 777.738 6.959 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)cc1 408565909 DETIPRVFFJHPNM-AREMUKBSSA-N 504.612 5.972 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1F 408577370 ZCJUOVDBBXIIFR-RUZDIDTESA-N 508.575 5.721 5 40 KKBB O=C(O)/C(=C/c1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2Cl)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408634402 QTDWXUOKNFJBJN-WSVATBPTSA-N 537.768 6.818 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408643117 FOGZZLAIYUFZDG-QYVRTBTHSA-N 626.452 6.034 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733727 PCFXFCWCBJTJTE-QJWUKVPRSA-N 674.913 5.097 5 40 KKBB O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(SCc3ccc(Br)cc3)sc2c1 408749324 FSJCGPNMMPNGGB-UHFFFAOYSA-N 544.408 6.210 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(Br)cc3)C3=C(N=4)c4ccccc4CC3)cc2)cc1[N+](=O)[O-] 408755258 CHQCNDSIDLOJCS-KFOJKGMOSA-N 714.619 6.066 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc(Cl)c([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1 408769035 LFEMISGHIMATRS-ONOZBBEISA-N 630.509 6.802 5 40 KKBB O=c1/c(=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408848606 XJEKIUPBPYINMU-ODSXNOBESA-N 873.510 8.168 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC)cc1 408908515 FKOVZIABOMUAMZ-MDINZUHSSA-N 734.812 5.434 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408995322 MEPRIVKKPCJHHH-JESJEVRBSA-N 803.631 6.045 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O)N1CCN(c2ccccc2)CC1 409018566 XFLQTDRMEBIFKR-FSJBWODESA-N 587.441 5.547 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409102927 URUZMZGJANYFGD-KEBDBYFISA-N 605.772 5.538 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409137135 WMFJMWQEFFPZIC-OAQYLSRUSA-N 575.489 5.135 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 409162344 DAUQSDVVFPKAMV-RGVLZGJSSA-N 556.394 5.909 5 40 KKBB COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 409189261 OCVOKBFBADDWFB-JAIQZWGSSA-N 602.191 5.692 5 40 KKBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1c(-c2ccc(Cl)cc2)c2c3n(c(COc4ccccc4F)nn13)CCCC2 3236701 AOYNEQPBMFUUCK-UHFFFAOYSA-N 589.967 6.558 5 40 KKBB O=C(Nc1ccc(-c2ccnc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)n2)cc1)c1cccc([N+](=O)[O-])c1 100499824 QFCBNDCQEVTCKW-UHFFFAOYSA-N 560.526 6.132 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1cccc(C(F)(F)F)c1 101176848 ZEGQEGQLZNGSDG-GIBOGKFOSA-N 538.526 5.091 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 101341722 BOMXPKOKTRHYEB-OYKKKHCWSA-N 535.534 5.717 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101671330 QOTPHVVLIPXXEX-TVNXZVQQSA-N 610.453 6.883 5 40 KKBB O=C(Nc1ccccc1[N+](=O)[O-])C(=O)[C@H](C(=O)c1ccccc1-c1ccccc1)[C@H]1OC(=O)c2ccccc21 102933782 NXGPSBMKJWIUQL-LSYYVWMOSA-N 520.497 5.180 5 40 KKBB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3O)nc2c1 105310465 BVEMNTFPTBUYEB-UHFFFAOYSA-N 528.546 6.112 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 105313681 SBBRVWJKHQFAHI-UHFFFAOYSA-N 557.680 5.707 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 105968889 PCPBPZGEXYEBND-NHDPSOOVSA-N 554.968 5.428 5 40 KKBB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 147936629 NJTCLWIZGCHNFW-UHFFFAOYSA-N 531.019 5.293 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 163690718 YKNMKXNMEFRZEH-ORVZPOCUSA-N 725.530 5.187 5 40 KKBB O=C1S/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205703289 ZXTDLIANFRVRPZ-CIAFOILYSA-N 698.276 6.620 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223932075 NNAZRMKZRRAITM-NFQMXDRXSA-N 635.570 5.222 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)C(C)C 224104453 NGVIAMATOJAZDS-KAYWLYCHSA-N 540.649 5.861 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224295481 PAUICOPDJYBFRD-HKBQPEDESA-N 632.714 5.096 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224497940 LLOIXEYBHZAZDG-RUZDIDTESA-N 528.436 5.610 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225446269 AJNXWZXXWWZGTA-UUWRZZSWSA-N 707.249 6.317 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225516982 XFJQZBNZAULIKX-MHZLTWQESA-N 598.563 6.147 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247309877 HZJJTVSUAGHUPD-VRNNKUELSA-N 547.592 5.638 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408565641 LPZGZXVPPSYCID-NLRIEGLYSA-N 607.288 5.865 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408565708 LTIXNVKCZXXZOM-XABOBXATSA-N 582.426 5.230 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408666569 VDMCBQXZHLNRBF-HUBOAGJBSA-N 612.469 5.738 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(Cl)cc1 408682533 JNVHUNFGJXPBIK-UHFFFAOYSA-N 601.613 6.398 5 40 KKBB O=C(Nc1ccc2nc(SCc3ccc(Br)cc3Br)sc2c1)c1cccc([N+](=O)[O-])c1C(=O)O 408750648 PWOUBFGTMKEUNV-UHFFFAOYSA-N 623.304 6.972 5 40 KKBB CCOc1ccc(N2C(=O)c3cccc4c(-c5ccc(Br)cc5C)c([N+](=O)[O-])cc(c34)C2=O)cc1 408756750 JFODPCCDXKAAEF-UHFFFAOYSA-N 531.362 6.685 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408779787 KJMRFKCLTVHNAS-MIUGUJGPSA-N 611.035 6.049 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408834400 ZAEYHZHUQSEZJJ-BIWBSIMWSA-N 688.080 5.880 5 40 KKBB O=c1/c(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 408843528 NMQPZQYKRVKFQR-JLHDDXNDSA-N 577.687 5.867 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1ccccc1 408987564 BGWKALDVJNFJIW-IZZVBFKTSA-N 666.762 6.198 5 40 KKBB Cc1sc2nc(-c3ccc(Sc4nc5ccc(N6C(=O)c7ccccc7C6=O)cc5s4)c([N+](=O)[O-])c3)nc(O)c2c1C 408991736 PCOZTBTVQTUKLH-UHFFFAOYSA-N 611.686 7.150 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409030623 GUBZNJHQKDHXOR-QQMBNGEASA-N 643.718 5.081 5 40 KKBB O=C(COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)N1CCCCC1 409127092 BYDBRTPXJGZVLC-UUWRZZSWSA-N 590.680 6.348 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl 409161136 WWRPSCVEIWLDIH-ZVHZXABRSA-N 598.033 6.449 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409163589 UNHPXGPTADQZBM-FSJBWODESA-N 587.532 6.398 5 40 KKBB COc1ccc(N2C(=O)c3ccc(C(=O)OC(c4ccccc4)c4ccccc4)cc3C2=O)c([N+](=O)[O-])c1 409179194 PSUKXPAESDSLJW-UHFFFAOYSA-N 508.486 5.350 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)Nc1cccc2ccccc12 409274553 PMOCVWMINGYSRZ-BUVRLJJBSA-N 512.547 5.273 5 40 KKBB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)coc2c1 2272772 SMTKGUBHBPDLJT-PEBXRYMYSA-N 528.514 5.044 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@@H](c1ccccc1OC(F)F)N1C(=N2)C(O)=Nc2ccccc21 3309650 RFEZRBUYQSPGRC-JOCHJYFZSA-N 516.464 5.932 5 40 KKBB CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)c4ccccc4)c3)CC2)cc1[N+](=O)[O-] 8817364 MJLCPBFFGYBPAE-IBGZPJMESA-N 519.558 5.037 5 40 KKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 14277422 NQCMKZNGEQHXMZ-ZZXKWVIFSA-N 506.773 6.177 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 15219202 YUDKYIUVQSAHMV-UHFFFAOYSA-N 513.339 5.826 5 40 KKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Br)ccc2OCc2ccccc2F)c(Cl)c1 16449980 LTDITIZOCRSJCV-UHFFFAOYSA-N 508.775 5.931 5 40 KKBB CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 22830922 BZGQCEMECFXLKO-UHFFFAOYSA-N 506.946 5.708 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(I)ccc3Br)nc2c1)c1cccc([N+](=O)[O-])c1 100358960 IXHRNBSDDJXKOK-UHFFFAOYSA-N 564.133 6.022 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(Cl)cc1)[C@@]21C(=O)Nc2ccccc21 103547669 PNPZEWJZMSIVKO-IANDGLOUSA-N 590.035 6.494 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2-c2ccc(F)cc2)sc2c1CCC2 150391111 GCNKGWZJDRTVLS-KRWDZBQOSA-N 652.730 5.399 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223901938 SIZUDMYVSUCKSI-JOCHJYFZSA-N 526.486 5.859 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2OC)o1 224585045 NVVCWFRSIYVAGH-DQEYMECFSA-N 502.552 5.444 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 224750367 QTOZHFTZHQIBPD-XZWHSSHBSA-N 563.639 6.759 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cc(Br)cs3)cc2)cc1 224761601 UVTDAXJQEUTRPZ-PKTZIBPZSA-N 569.531 7.142 5 40 KKBB Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1I 224763054 XUNQGYMLSWNCEA-LOSJGSFVSA-N 627.533 6.868 5 40 KKBB Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224780868 LOSXTAFNOOXJED-XZWHSSHBSA-N 563.708 7.417 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260924459 ABHPFZRBMJAKMV-MGBGTMOVSA-N 719.658 6.252 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F 408567581 GWRGXINBRJUEFP-QHCPKHFHSA-N 546.983 6.205 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 408576578 XSZVKYSWZQPUOH-XMMPIXPASA-N 557.445 6.475 5 40 KKBB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)S1 408814182 OEAJEJTVORLIFU-UHFFFAOYSA-N 513.599 5.986 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1Cl 408823399 DEKQVHLKBOOUPL-ZFWDJNJRSA-N 747.849 6.464 5 40 KKBB Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c1 408846068 QNJGHXNQGZEQMK-DEDYPNTBSA-N 507.296 5.229 5 40 KKBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2)cc1C 408926967 WVXSBBKMSJWRTK-TURZUDJPSA-N 527.602 6.192 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(OC)c4)c(=O)n32)cc1OCC 408939852 UNSMGMRIYVERGB-WQVUUJHJSA-N 724.586 5.074 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409000370 YRONDHNMAYCJKO-KMCFWPMWSA-N 654.144 6.881 5 40 KKBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccc(Cl)cc4)C(=O)[C@@]3(c3ccc(Cl)cc3)C(c3ccccc3)=C2c2ccccc2)cc1[N+](=O)[O-] 409053419 CLCPRJQAKPHVNG-SUCLOZJKSA-N 729.572 8.016 5 40 KKBB CC1(C)OC(=O)C([C@@H](c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c2c[nH]c3ccccc23)C(=O)O1 409113041 HTCXZHBLDHWBEM-DEOSSOPVSA-N 579.403 6.002 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl 409152967 KJEBSLZEQBXINY-JFLMPSFJSA-N 747.020 7.620 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12 409178705 HRIYQKHVJUDRMS-PGUFJCEWSA-N 570.645 8.639 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)n2c(nc3ccccc32)N1 1068705 PQTFXGQUXPTZFN-MHZLTWQESA-N 505.534 6.441 5 40 KKBB O=C(Nc1ccc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(C(=O)O)c2)cc1C(=O)O)c1ccc([N+](=O)[O-])cc1 3142723 YOSBSCQDEDMVQL-UHFFFAOYSA-N 570.470 5.071 5 40 KKBB Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5[C@H]6CC[C@@H](C6)[C@@H]5C4=O)cc3)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 100396403 HXKISKSQFYIMGI-YKEZFMOOSA-N 589.604 5.694 5 40 KKBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc2ccccc2c1 102744243 WEYAEDVRPLAJQN-UBFVSLLYSA-N 534.355 6.106 5 40 KKBB CCOc1ccc(-n2c(SCC(=O)Nc3ccc(OCC)cc3[N+](=O)[O-])nnc2-c2ccccc2Cl)cc1 103103006 IVAKCYBTPSHKTL-UHFFFAOYSA-N 554.028 6.024 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c2=O)=N1 103826917 GKXVVOYFJMASJE-USDTVRPUSA-N 617.680 5.072 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 105355411 CCEHLEOMFCBOJQ-PKNBQFBNSA-N 520.328 7.622 5 40 KKBB CCc1ccc(C2(c3ccc(CC)cc3)S[C@]3(SC(C(=O)c4ccccc4)=NN3c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 163487857 SFRJXOUAYVGDFZ-KXQOOQHDSA-N 641.818 9.318 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c2=O)=N1 164190911 SKKMYZFJDHJYBW-OCDQFKQQSA-N 704.714 5.213 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 214361826 DVXVLYMLIFKHFQ-YDZHTSKRSA-N 587.423 6.711 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223525169 RIWIJTLBESTVTB-WJOKGBTCSA-N 758.091 6.299 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224718110 JXTVOZVERIOHST-DEOSSOPVSA-N 671.216 5.935 5 40 KKBB Cc1[nH]c(C)c([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1I 224763009 XUNQGYMLSWNCEA-RPBOFIJWSA-N 627.533 6.868 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225081943 WXJAZGKINAOSLG-NDEPHWFRSA-N 600.568 6.834 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225443667 GNYFYDVKFTZQFM-UMSFTDKQSA-N 733.685 6.642 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225734644 YGOKSIGJPLDVAZ-RBTNQOKQSA-N 679.623 6.136 5 40 KKBB CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 248253455 JWJMOAGUGRHVMR-PCEYSVKOSA-N 521.573 5.183 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260924481 ACISQQBVBYMFKJ-UUWRZZSWSA-N 719.260 6.459 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260964557 HUXXTLKELIWQQA-MGBGTMOVSA-N 690.794 5.801 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12 408569422 WSKZHHJKSHZXPQ-JWCTUAFDSA-N 588.458 5.712 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 408571393 OPFXHGGCWMSOBB-AREMUKBSSA-N 631.524 6.964 5 40 KKBB CCc1nc(S/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)O)n[nH]1 408631786 LLAMTGDGLHTXDS-BWAHOGKJSA-N 537.601 6.618 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408650069 ZHZOOVZFVVUWKN-NOZRDPDXSA-N 573.989 5.622 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408686826 SFKUPSZDVNFPLS-ZBWOKKAISA-N 697.098 5.190 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 408987124 ALNIJFKHTSXAGB-SCRHHBKZSA-N 694.769 5.086 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c2=O)=N1 409034702 QTIMARDMJZSRLJ-ZSJKCPIUSA-N 695.504 5.178 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c2=O)=N1 409038412 VGTCUXZPIUAITO-LMSRTUJASA-N 609.582 5.518 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409092524 WSSBEVRURBMDBL-YNUDOMLISA-N 738.613 5.464 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OCC)c3)C2=O)ccc1Cl 409165519 YZDASWAAZGJOLE-BRJLIKDPSA-N 694.040 7.310 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409174325 RZZCSLWGUANBAN-SANMLTNESA-N 543.444 5.985 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 409181544 CXKKSSVUCZTUKC-MHZLTWQESA-N 605.386 6.492 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)o1 409385131 IAPXDFHPFHWKTP-LSHDLFTRSA-N 603.403 5.561 5 40 KKBB CCOc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])c(Br)c(Br)c1OCc1ccccc1 409391436 YSUZIBJFVZLOTD-CMDGGOBGSA-N 567.190 5.469 5 40 KKBB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1 2798749 SFAYMOFCVKQNNJ-UHFFFAOYSA-N 570.524 6.831 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 3134748 WLAFYBPNVFSZLL-UHFFFAOYSA-N 552.270 6.422 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(Br)cc3)cs2)cc1[N+](=O)[O-] 8721685 VDKDBKZPTKJJJD-UHFFFAOYSA-N 507.391 5.006 5 40 KKBB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14277766 FEEJSYKBJQKJAH-UHFFFAOYSA-N 513.337 5.799 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 22828910 HGOFPZXDTPCDFN-NTUHNPAUSA-N 504.978 5.789 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 97983819 CSEVLRDDKRAYBV-AGOSLVPCSA-N 612.599 5.685 5 40 KKBB CCN(CC)c1ccc2c(c1)OC(=O)N(c1ccc(Cl)c(Cl)c1)[P@]2(=Nc1ccccc1[N+](=O)[O-])N1CCOCC1 97984318 QWOOMZAOSHSFRD-RRHRGVEJSA-N 604.431 7.087 5 40 KKBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 101589838 XIRUWOOZGAGXCD-SOOJPDKZSA-N 599.599 5.502 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccc([N+](=O)[O-])cc1Cl 102473995 JTVLHXXPMMCDHH-RUDMXATFSA-N 574.718 5.631 5 40 KKBB COCCn1c(=N)c(-c2nc(-c3ccc(F)cc3)c(NC(=O)c3ccc(Cl)cc3)s2)cc2c(=O)n3ccccc3nc21 102626026 GKBBMHBDPWSCAP-UHFFFAOYSA-N 601.063 5.610 5 40 KKBB C[C@@H](OC(=O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 102992202 JCJSKWMQTNPPQX-CYBMUJFWSA-N 612.809 6.693 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6OC)o5)c(=O)n42)c2ccccc2CC3)c1 103891609 OPPXDQAAOSJDKC-MRWVFDTMSA-N 591.645 5.504 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccccc1 163755314 QFNWDXVVWWRMLB-OTURHAQKSA-N 666.759 6.831 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224882099 YCWUTXSYDIYDFT-NRFANRHFSA-N 647.581 5.963 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225149169 HQKNIWOYZBDSKE-AREMUKBSSA-N 645.178 5.403 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260775727 HZLYMCUPIHAXPZ-JOCHJYFZSA-N 691.634 6.280 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260934098 PVECZFXTQNPULS-UUWRZZSWSA-N 689.234 6.533 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408571286 OGLRXIUVTXCVON-XMMPIXPASA-N 593.920 7.624 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 408671836 VDCCKZCIROOGIY-UHFFFAOYSA-N 519.554 5.720 5 40 KKBB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1[N+](=O)[O-] 408726349 BIJHUQNJZUGJKN-AGYDLCDTSA-N 568.221 5.313 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(Cl)cc(Cl)c3O)c2=O)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732039 OLBVMCCYPWLBIZ-CVWPWANMSA-N 670.527 5.415 5 40 KKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408756609 ICSISQKBLCAGLZ-UHFFFAOYSA-N 502.324 6.363 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(SCc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 409032877 JRCPGQWVAJZWBC-WOSHRIRTSA-N 621.740 6.152 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409095945 BXHFSNMDVVYESW-ASZNLBCTSA-N 653.613 6.470 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409157866 WPFQSXQGXLJHSK-ZVHZXABRSA-N 612.458 6.010 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1 409176581 ROOCAOZBDUZKEO-CIAFOILYSA-N 556.394 5.855 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1 409180248 VMGOTWRKNWDSJG-YDZHTSKRSA-N 571.533 6.643 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409274753 XKERBBJDDQLRSZ-SRZZPIQSSA-N 525.926 5.363 5 40 KKBB O=c1c2cc(Br)ccc2c2ccc3c4ccc5c6ccc(Br)cc6c(=O)c6ccc(c7ccc1c2c73)c4c65 4410898 YAWQJGMFKCTSSJ-UHFFFAOYSA-N 614.292 9.471 5 40 KKBB COc1ccc2c(Cl)c(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)sc2c1Cl 12623376 YMRXCJLDANPXOF-MRVPVSSYSA-N 503.747 5.962 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)c(C)c1 59331877 BPQIPRUOEGBUND-UHFFFAOYSA-N 524.581 6.304 5 40 KKBB O=C(NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 72130462 CKNHRHSELWMUNF-SANMLTNESA-N 549.580 5.030 5 40 KKBB in-vitro COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCCCCOc2cc(-c3ccccc3)[nH]n2)[C@H]1c1cccc([N+](=O)[O-])c1 72283933 OOKHXFXYNBTHHR-LJAQVGFWSA-N 574.634 5.575 5 40 KKBB CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(O)=C2[C@@H]1c1cccc([N+](=O)[O-])c1 102930626 WGUZESRLKNRDEF-GZGVDWRWSA-N 565.714 9.023 5 40 KKBB COc1c(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc2ccccc2c1Br 105313104 RLQVQJDBPDBYRI-UHFFFAOYSA-N 543.424 5.769 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 106737881 LRPZFKMJHFJUGM-WNFQYIGGSA-N 541.925 5.409 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2OC)sc2c1CCCC2 150391024 SNQYDUZQKLKPHK-GOSISDBHSA-N 664.766 5.350 5 40 KKBB Cc1ccc(NC(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1NC(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 150496824 OJJANGJQOILPKA-UHFFFAOYSA-N 618.617 6.136 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 161915275 QPLFNTYSLYHHSF-UHFFFAOYSA-N 661.909 6.778 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c2=O)=N1 164190494 UHKRRYAZWPPDRR-UHAPOFRNSA-N 687.771 5.482 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224502771 KYHKNSRWJQXRFQ-HKBQPEDESA-N 683.614 6.263 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 225583197 CMBWYFNWTGWVEU-KAYWLYCHSA-N 527.606 5.560 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408565671 LRILBXPHHMEHSC-KLPDMWAPSA-N 578.463 5.481 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 408570909 MHPOMAZCZDYYTK-HHHXNRCGSA-N 534.638 5.981 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccccc1 408572414 RCABHTHGFNNJTG-QHCPKHFHSA-N 515.422 6.572 5 40 KKBB CCn1c2ccccc2c2cc(NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc21 408618645 KWRRREXIWMMCJY-UHFFFAOYSA-N 607.088 6.527 5 40 KKBB O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408647197 BHVSQRLDWALTDL-GJLUAVECSA-N 661.925 6.496 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408662250 XNUXCUDMKIKQRD-OVWYZSLCSA-N 636.444 5.392 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccccc1 408753457 ABASANANTPZMAK-CBPRFPNYSA-N 631.666 5.063 5 40 KKBB O=c1/c(=C\c2ccccc2OCc2ccccc2F)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408842123 MBJCGLAYDCMDQK-SAGCDJCOSA-N 589.648 5.945 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5cccc([N+](=O)[O-])c5)c(OCC)c4)c(=O)n32)cc1OCC 408933274 AFIBVABTQAVYHB-JNNIQXQOSA-N 694.162 5.355 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409043203 YEDHOIFRCXDGTC-CRCYZHLCSA-N 664.534 5.057 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 409098248 OXUUVHOESLUFGZ-CBPRFPNYSA-N 679.780 5.572 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409162611 XPWSCALNHZLOMR-CCVBWGSMSA-N 772.428 6.027 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409239540 HDDLKIJQBMQXAS-WYMPLXKRSA-N 646.903 6.663 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3Br)C2=O)o1 409403001 YCHHQLHIYOFEFZ-MFOYZWKCSA-N 620.796 5.071 5 40 KKBB CS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)cc1[N+](=O)[O-] 3297912 BWJFASWEHATFHU-FQEVSTJZSA-N 556.902 5.207 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 8898662 XHYQIBARVSIZMP-RMKNXTFCSA-N 506.773 6.177 5 40 KKBB O=[N+]([O-])c1ccc(Oc2nc(Oc3ccc([N+](=O)[O-])cc3)c(F)c(Oc3ccc([N+](=O)[O-])cc3)c2F)cc1 33354298 OYOOWQDFQJSYPG-UHFFFAOYSA-N 526.364 6.461 5 40 KKBB Cc1ccc(C(C)C)c(OCCNC(=O)c2cc(C(=O)NCCOc3cc(C)ccc3C(C)C)cc([N+](=O)[O-])c2)c1 33354651 JFGYJMGTPPGUBC-UHFFFAOYSA-N 561.679 6.076 5 40 KKBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2)CC1 57317157 VIROXJDLETYULJ-UHFFFAOYSA-N 501.008 5.410 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cnn6c5N[C@H](c5ccccc5)C[C@@H]6C(F)F)nc34)c12 97945895 INDMANXMLOJNSL-GOEBONIOSA-N 538.534 6.360 5 40 KKBB O=C1NC(=O)/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)S1 100474599 DPFIYZMTIAHTHC-WLRTZDKTSA-N 568.121 6.255 5 40 KKBB CC[C@H]1c2ccccc2-c2cc(Nc3ncnc(Nc4ccc5c(c4)-c4ccccc4[C@H]5CC)c3[N+](=O)[O-])ccc21 102586151 RDCIJEUVXNEORQ-ZRZAMGCNSA-N 539.639 8.917 5 40 KKBB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)c2C1 103087579 FCCRPBNIIGYLII-OAHLLOKOSA-N 529.515 6.108 5 40 KKBB CC[N+](CC)(CCO[C@H]1Cc2cccc3cccc1c23)CC[N+](CC)(CC)CCO[C@@H]1Cc2cccc3cccc1c23 104451681 IISJKVHXEUKMHD-TYHGNQNSSA-N 566.830 7.634 5 40 KKBB O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306067 DABIZNVFHKGRDC-UHFFFAOYSA-N 520.455 5.750 5 40 KKBB O=C(Nc1ccc(C2(c3ccc(NC(=O)c4ccc(N5CCCCCC5)c([N+](=O)[O-])c4)cc3)CCCCC2)cc1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 150480977 ZYVOSTAMFBBROW-UHFFFAOYSA-N 758.920 10.019 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222810856 VFDPTFZYTBNMMO-WJOKGBTCSA-N 699.613 5.800 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 224681646 IGDTVRZVELNHPT-LOYHVIPDSA-N 547.640 7.058 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225288846 NLIXVBNEFOBUNA-VQTJNVASSA-N 621.543 5.429 5 40 KKBB CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229610664 XNSAOEIVFPMTFN-RCFASBGUSA-N 583.644 6.403 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260911572 FTYFIMRQJDEXEW-VXKWHMMOSA-N 631.151 5.093 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12 408569993 KNBSEPOJTMBPGN-AZWOIGQISA-N 588.458 5.758 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)C(=O)O)o1 408631559 FPEJPVKQHBXFAQ-GRSHGNNSSA-N 517.878 5.924 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1 408662347 XWWLLHYMKBFTRM-TYBYDDOHSA-N 683.698 6.008 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733728 PCFXFCWCBJTJTE-ZYDFGXJWSA-N 674.913 5.097 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)S2)cc1 408781920 FQYXAIQRCDFQSC-QDNAUZDWSA-N 713.335 6.545 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 408815981 KAMGLSMFAWBAEG-BKUYFWCQSA-N 511.353 6.177 5 40 KKBB Cc1c(Br)ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc(O)c2)C3=O)c1C 408995598 KDJNGNBZTXLHTL-UHFFFAOYSA-N 532.350 6.377 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409029635 CAGTXQAAEVWDSY-PNQAETMRSA-N 722.216 6.133 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c2=O)=N1 409038913 FWJSYZULFYKDPQ-LCQSEVKBSA-N 638.098 5.417 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409123884 FJTGCFSSQAXQOG-OAQYLSRUSA-N 531.038 5.026 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409139960 GTFMPMZQYNXWJX-DTDQMKFYSA-N 695.823 6.207 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 409164833 OKAONIUARLSNRB-OEAKJJBVSA-N 517.563 5.466 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1N1CCOCC1 409200276 RDQRZDANZRKBHW-OEAKJJBVSA-N 568.995 5.020 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409270068 FPBRWPHGKAQZNP-FSJBWODESA-N 578.559 5.596 5 40 KKBB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)/C=C/c5c6ccccc6cc6ccccc56)CC[C@]4(C)[C@H]3CC[C@]12C 1889303088 HWPKACQLFFCDBD-WKKZEHMQSA-N 616.930 11.959 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccccc3Cl)C3=C(N=4)c4ccccc4CC3)o2)cc1[N+](=O)[O-] 1815432 FJARCURRMDMBNY-UAMLYEQYSA-N 580.065 6.449 5 40 KKBB CCOC(=O)c1c(-n2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(OCC)cc2)sc2c1CCCC2 1899725 OGPFYIVFOXOQCA-UHFFFAOYSA-N 579.682 6.097 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2253690 RZDLSWFVVBLIMD-UHFFFAOYSA-N 520.807 6.601 5 40 KKBB CCCCCn1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(=O)OCC)c2nc3ccccc3nc21 3216793 PACVFHZWESUHGG-UHFFFAOYSA-N 520.502 5.020 5 40 KKBB CCC(CC)(C(=O)Nc1ccc2c(c1)c(=O)c1ccccc1n2C)C(=O)Nc1ccc2c(c1)c(=O)c1ccccc1n2C 5615570 FRURLMZBIMHETG-UHFFFAOYSA-N 572.665 6.080 5 40 KKBB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8901234 RZMCOCHVNHJEDC-UHFFFAOYSA-N 505.914 5.111 5 40 KKBB COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 9062442 NVTVNCCNRKIKQT-UHFFFAOYSA-N 509.931 5.280 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 12524405 DMPUUBXDPAHJAF-OBHVEFGISA-N 502.527 5.054 5 40 KKBB Cc1csc(Sc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc2[N+](=O)[O-])n1 13096036 WRXMCZPSZJYIFT-UHFFFAOYSA-N 506.491 5.363 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc6n(n5)[C@H](C(F)(F)F)C[C@H](c5ccc(Cl)cc5)N6)nc34)c12 97948657 TYEULRFKICCMPX-CJNGLKHVSA-N 590.969 7.310 5 40 KKBB Cc1cc(NC(=O)COc2cc([N+](=O)[O-])ccc2Br)ccc1NC(=O)c1cc2ccccc2o1 100299198 LKFQKUJTACWYOW-UHFFFAOYSA-N 524.327 5.682 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 100367242 WQQHGRADRAJVNQ-QTTRZTASSA-N 606.125 5.820 5 40 KKBB COc1ccc(OCC[N+](C)(Cc2csc(Nc3ccccc3)n2)Cc2csc(Nc3ccccc3)n2)cc1 102773643 OKCACRSXISAXHI-UHFFFAOYSA-N 558.753 7.321 5 40 KKBB O=C(COc1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)Nc1cccc(C(F)(F)F)c1 103005812 MLULXKJAISBNJL-UHFFFAOYSA-N 551.861 5.080 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1Cl 105511639 QLYUSZTVWYRJCP-RWTNITNYSA-N 584.437 5.273 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106379028 SLTWSKSUSBGEEI-UHFFFAOYSA-N 568.833 5.162 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c2=O)=N1 111470118 LKTDXDPDBTVQPP-LAUBZIAYSA-N 585.682 5.870 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 150395038 HQXIBISDJKRDNN-WGJPBTIMSA-N 654.144 6.881 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 164524807 YZNCEUONRJMCDF-LLXISZFLSA-N 773.605 6.036 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 214813637 AMPXOGAGUFEMFI-FSJBWODESA-N 685.323 7.720 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223428221 WSYFUFNCNDSYBI-JGCGQSQUSA-N 662.740 5.022 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225624137 LAGOJABOAQEDNX-MGBGTMOVSA-N 776.139 7.624 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260890674 LHLBOOXLXGEWTR-VXKWHMMOSA-N 631.151 5.093 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260929356 KICUZIPFNIQREH-UUWRZZSWSA-N 741.694 6.826 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)cc2)cc1 408566083 DUVRZMACMRBZKB-GDLZYMKVSA-N 540.645 6.817 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408575080 VYLFOSWSUFPTRC-RUZDIDTESA-N 652.398 7.960 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 408638143 BZAPNDQRHVIOQX-WQWSHVPRSA-N 610.450 6.355 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408644121 QTTKLWFUMNXIGQ-IKTNGCAPSA-N 806.653 7.154 5 40 KKBB CC(C)(C)NC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)NC(C)(C)C)c3cc12 408720340 LIIMLHWPJSTPRV-UHFFFAOYSA-N 530.672 7.174 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729999 MPFXIGUMUWPURN-IMUCPKNRSA-N 621.671 5.546 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408736142 HVVXHZAJKGEFRW-YVBHXKDBSA-N 628.663 5.530 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC 408758082 VBEJMKAGVCARCR-YCMYYBHNSA-N 787.632 6.436 5 40 KKBB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 408768966 NDPRKJZXRJYHDL-KLKBWYFJSA-N 631.492 6.339 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408823773 GGZPXICFWBWDSS-MIUGUJGPSA-N 818.484 6.440 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408827574 KTLLQEBKNRKPSW-VZIOXZNFSA-N 617.989 5.471 5 40 KKBB Cc1ccc2c(Cl)c(C(=O)Oc3ccccc3/C=C3/N=C(c4sc5cc([N+](=O)[O-])ccc5c4Cl)OC3=O)sc2c1 408845115 ONARNQQOTPUEMD-WOJGMQOQSA-N 609.468 8.203 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)N1CCN(c2ccccc2)CC1 409020268 NHVMKHZUQKOVBC-PCLIKHOPSA-N 810.408 5.768 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409269263 AHUPJFCNLYNLLL-YDZHTSKRSA-N 508.939 5.746 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409272971 ORACAZVTFLQQHQ-WSDLNYQXSA-N 560.993 5.574 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)c1ccc(Cl)cc1 409274656 FLOXPDHEHFWELR-YDZHTSKRSA-N 508.939 5.746 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc(I)cc1 409338791 BAWBFVUSFPXOQM-LPYMAVHISA-N 615.405 5.453 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3cccc4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409341148 CXDOZVBYUGNYSH-SAGCDJCOSA-N 619.699 5.747 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 1848324 MJBBCGHKUWEENV-IWOOQVRJSA-N 510.377 7.875 5 40 KKBB O=C(NCc1ccccc1)C(=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 3223262 XRDYDIYWGAXGFM-UHFFFAOYSA-N 580.691 6.372 5 40 KKBB C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12918134 SFQRAAHDIFBZJJ-CYBMUJFWSA-N 507.478 5.475 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 13304327 HDHSGVRQCONKDG-IOGDKGLISA-N 507.924 6.963 5 40 KKBB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1Cl 33572136 UPICDRZKIFGZEA-UHFFFAOYSA-N 503.902 5.811 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccccc1OC(C)C 100217185 FBHVDGWFSULKDE-HVDVVURSSA-N 562.691 5.892 5 40 KKBB O=C1S/C(=C\c2cc(Br)cc(Br)c2O)C(=O)N1Cc1cccc([N+](=O)[O-])c1 100236319 UGTWBLGDJFHYRX-NSIKDUERSA-N 514.151 5.062 5 40 KKBB Cc1ccc(-n2c(/C=C/c3ccccc3[N+](=O)[O-])nc3ccc(I)cc3c2=O)cc1[N+](=O)[O-] 102553559 LJETURVVTDWRIJ-YRNVUSSQSA-N 554.300 5.286 5 40 KKBB O=C1[C@H]2[C@@H](c3ccccc3Cl)N(c3cccc([N+](=O)[O-])c3)O[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102766785 VOSIDTGGCYSXFF-PWRODBHTSA-N 518.740 5.606 5 40 KKBB Cc1ccc([P@](=Nc2ccc([N+](=O)[O-])cc2Br)(Oc2cccc(Br)c2)C(C)(C)C)o1 102936865 ISLMGHQNSOGQQR-PMERELPUSA-N 556.191 7.972 5 40 KKBB O=C(NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306515 UEQPVYIMQCILFY-UHFFFAOYSA-N 574.446 5.117 5 40 KKBB CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@H]13 105368960 BHKWBTATPFLOTL-UOAMTUORSA-N 520.626 5.610 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 109276735 QRSAVIIKUKBBJW-JLHYYAGUSA-N 580.110 5.735 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1cccc(OC)c1 150395237 MHXKHPQSHYWRGT-OINPTKSXSA-N 642.089 5.766 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(Br)c(Br)c1OCc1ccccc1 150463469 BAMFELDLZDOADM-NDENLUEZSA-N 634.302 6.944 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(Br)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 163988959 QDCNQWWEXTZQJJ-OFRZWCKSSA-N 709.596 8.163 5 40 KKBB O=C(O)c1cccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)o2)c1 208231906 LICNTIFELLNVBY-HRIDGTDGSA-N 575.602 5.185 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214038284 FWGPNSLUMBIHPF-YDZHTSKRSA-N 521.507 5.931 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 214077040 DHTCKWXXYDDYMD-WSDLNYQXSA-N 559.825 6.826 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214971351 CTKHUYFWMFQZLP-YDZHTSKRSA-N 555.406 6.181 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222632961 LMWICSKNXPPCGG-HHHXNRCGSA-N 554.112 5.894 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260984623 BNZOVVIGMPCDSZ-HPMVVLTCSA-N 786.145 7.078 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408649144 KLYKNFXQDDNSKQ-NNMFVCILSA-N 608.434 5.965 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408650652 MOOQCNUBEKRINW-RAWLKHAVSA-N 626.452 6.034 5 40 KKBB CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408773510 RDAVTKDHGXESNW-LKWZWFHSSA-N 540.041 6.388 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408920562 KCCTWYYHEVJBRK-HRIDGTDGSA-N 615.733 5.396 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n21 408956312 RDKYVWOJGMQWCA-SJXDCSIJSA-N 627.560 6.264 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)c2=O)=N1 409033726 PEEJQOLCUREQIV-JLHDDXNDSA-N 684.568 6.201 5 40 KKBB O=C1N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccccc1F 409069222 IDDYFCUWHWDZHX-SRZZPIQSSA-N 605.214 5.931 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409087494 ZABSZWOEAYRIPX-INJWXVQMSA-N 698.548 5.145 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4cccc5ccccc45)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409141320 NCCAETAPTWRSED-KOHOJCOXSA-N 619.699 5.747 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409219570 OBXWBCCLTLPEDE-ZMOGYAJESA-N 572.517 6.724 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409275501 VHESICMYJKUQDK-DHRITJCHSA-N 592.586 5.986 5 40 KKBB COc1cc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 2746883 SBSPFVFUDYTFQS-UHFFFAOYSA-N 542.504 5.692 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1 59600360 DHTZXMHOANMKHY-ASZNLBCTSA-N 522.601 5.244 5 40 KKBB COc1ccc(C[C@@H]2c3cc(OC)c(OC)c(OC)c3CC[N+]2(C)C)cc1Oc1ccc(C[C@@H]2c3cc4c(c(OC)c3CCN2C)OCO4)cc1 82191003 BWMIXNFPFRIESN-CZNDPXEESA-N 697.849 6.939 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)c1 97995606 ITIFXBJTCIDONY-UHFFFAOYSA-N 536.584 6.220 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc([N+](=O)[O-])cc1Cl 100300492 LXSAQWCXWNJRSP-UHFFFAOYSA-N 523.304 6.115 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106378950 JTUVHCLQXHGKDS-UHFFFAOYSA-N 594.089 5.990 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 150395241 DZWUYITYWPZULE-KUSDHMTMSA-N 637.670 5.121 5 40 KKBB CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 167678944 ZCSWLDGGOCOHNR-SANMLTNESA-N 588.715 6.255 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224359015 TUJPXKQKLDKQRN-VWLOTQADSA-N 508.018 5.346 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225417344 WKTQBVOVJSZYCH-GDLZYMKVSA-N 624.601 6.680 5 40 KKBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccnc1 245283976 PKTFPGQPPNKCBQ-GYWGLWKWSA-N 699.826 8.830 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccccc1Cl 408569977 KLLDWLHZGALGHO-XMMPIXPASA-N 559.475 6.889 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408575631 WSIVGSBOUKJRLJ-RUZDIDTESA-N 633.952 7.088 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408613614 YUEFWYXXPWCVFW-UHFFFAOYSA-N 511.840 6.978 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408640115 HHUOWWSLIUGAMM-ZKSIBHASSA-N 778.643 7.727 5 40 KKBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408646803 UPSJRXXDBSGVMX-LLVKDONJSA-N 758.999 6.570 5 40 KKBB CC(C)[C@@H](C(=O)OCc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408656981 MQNSOQLHNQOXHI-GNBTXOOPSA-N 579.436 5.256 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408663116 YDHOIJJZPHLQSX-MOVYAIRMSA-N 636.444 5.392 5 40 KKBB Cc1ccc(C)c(NC(=O)CSc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4C(=O)O)cc3s2)c1 408750439 MZVUYWLHLNTEEY-UHFFFAOYSA-N 536.591 5.503 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(C)cc1 408754674 XACPMKLCEDBBCU-AQIZGWBQSA-N 608.470 5.037 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)S2)cc1 408772453 PKQIAJNIULCJRC-CBYYHRJHSA-N 540.439 6.098 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n21 408956309 RDKYVWOJGMQWCA-OBDCIHEFSA-N 627.560 6.264 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(OC(C)=O)c([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 409044895 FBRPSUCMXZBNSS-YMMTXDPESA-N 720.734 6.726 5 40 KKBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccc(C)cc3)=C2c2ccc(C)cc2)cc1[N+](=O)[O-] 409058760 SWLHAPHNWGIULJ-LIFCYIFXSA-N 688.736 7.326 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)cc1 409180820 SFHVKFDKPKKRBR-QRVIBDJDSA-N 505.552 5.709 5 40 KKBB COC(=O)c1ccc(Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)cc2OC)c([N+](=O)[O-])c1 409252364 SCUMKCZQPCAOOA-CFRMEGHHSA-N 577.571 5.166 5 40 KKBB CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n(Cc2ccccc2)c2nc3ccccc3nc12 2280895 FGKCEQYCSRVBAQ-FOCLMDBBSA-N 521.533 5.370 5 40 KKBB CCOc1ccc(C(=O)[C@@H](CC[C@@H](C[N+]2(C)CCCCCC2)C(=O)c2ccc(OCC)cc2)C[N+]2(C)CCCCCC2)cc1 6600745 RJRNNBYCWWOHJK-HEVIKAOCSA-N 606.892 7.603 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12 8430246 VELMNJQTCQNQCA-UHFFFAOYSA-N 677.231 7.893 5 40 KKBB O=[N+]([O-])c1cccc([C@@H]2CC(c3ccccc3)=NN2c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 9216094 KFEUUIUCHPYFAT-MHZLTWQESA-N 505.965 7.214 5 40 KKBB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c(C)cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 16807663 JIAKXTUEISZPEC-UHFFFAOYSA-N 523.567 5.142 5 40 KKBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(OCc2ccccc2)cc1 20452011 NNPUKKKLYQSOKK-UHFFFAOYSA-N 517.563 5.008 5 40 KKBB CC[C@@H](Sc1nc2cc(OC)c(OC)cc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)C(=O)NC1CCCCC1 101307941 MGYLPVPNZDACRS-HSZRJFAPSA-N 550.641 5.190 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 101346907 USJBVDPWTHSBIL-XKZIYDEJSA-N 525.380 6.173 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 103789870 HICUMSVNAGKJPC-QQMBNGEASA-N 627.719 5.418 5 40 KKBB CN1CCN(c2ccc(C(=O)N3N=C4/C(=C/c5ccc(F)cc5)CCC[C@@H]4[C@H]3c3ccc(F)cc3)cc2[N+](=O)[O-])CC1 104051046 KNKXBQHWWCJXGZ-LDRVUKIPSA-N 571.628 6.062 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 105312575 IHXUQLLYMWJBJK-GOSISDBHSA-N 559.648 5.880 5 40 KKBB O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 108166565 KZYGPGBTOFYXFA-UHFFFAOYSA-N 529.424 6.114 5 40 KKBB CC(C)c1ccc(C2=N/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C(=O)O2)cc1 150384122 TXSOGNHJYAQBDX-QRVIBDJDSA-N 694.263 6.851 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224241898 HXEWNRYQTPBPEC-XIFFEERXSA-N 721.276 6.624 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224337861 OJOVLTXWLRNXIR-HKBQPEDESA-N 632.714 5.096 5 40 KKBB CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224389022 JXKYMIBQNIXLAC-INIZCTEOSA-N 512.459 5.324 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(F)cc4Br)o3)cc2)cc1 224788917 CCUFLJUZAFXSKW-FQLXRVMXSA-N 647.551 8.480 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224992625 ZHSSPDWDSAFNKM-XIFFEERXSA-N 719.658 6.252 5 40 KKBB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)(C)C 225119339 UGSMHIDXHSKWPZ-SXOMAYOGSA-N 571.659 6.420 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408566243 NJOOKMYBSHHPDV-FUFVFOGCSA-N 528.392 5.149 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408569521 JJYWZZTXQJHKDF-XMMPIXPASA-N 577.465 7.109 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)cc1 408571891 PUNWBWKUUSEYSJ-XMMPIXPASA-N 511.003 5.927 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1Cl 408575072 VYBAJPGXDDOLQU-AREMUKBSSA-N 539.057 6.625 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 408577552 ZSCAVQHOMDWYIN-SANMLTNESA-N 573.502 7.197 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408733635 NIAMQJCAGNCVLS-DQARITGZSA-N 684.941 7.187 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 408919237 VCGMFPUVBXAWED-YDZHTSKRSA-N 542.972 6.602 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 408980243 FERKITZMUMSXKK-QDNAUZDWSA-N 674.982 6.104 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409000909 YZOBNJDZMFDGRZ-DAIZXWHWSA-N 663.777 6.145 5 40 KKBB O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)NC(=S)N1C1CCCCC1 409086340 VEZNMLFRAHEMKU-MOSHPQCFSA-N 516.417 5.327 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409090408 NCCMLQNYZNYLFF-CDWRSTBESA-N 787.483 6.218 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 409100741 RXWQDJJYQWQWKY-BUVRLJJBSA-N 533.562 5.248 5 40 KKBB CC1(C)OC(=O)C([C@H](c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c2c[nH]c3ccccc23)C(=O)O1 409121306 ZAVZNHUGKZFTHW-HSZRJFAPSA-N 752.299 6.449 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409167943 JZDUVNCTLZAWGU-FSJBWODESA-N 564.532 5.287 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c(C)c1 409371261 BTYPGEZLFHSFMH-WSDLNYQXSA-N 505.552 5.763 5 40 KKBB COc1ccc(-c2nc(NC(=O)c3cccc(Br)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 2075718 UJIBHFRPDZDZAF-UHFFFAOYSA-N 510.369 6.409 5 40 KKBB O=C(CCCCC(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc2[nH]c3ccccc3c(=O)c2c1 5545219 NNIRKFNNLLEBDO-UHFFFAOYSA-N 530.584 5.814 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1[N+](=O)[O-] 22843273 QNNZZULQWJGUFI-MRXNPFEDSA-N 518.595 6.442 5 40 KKBB O=C(Oc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1)c1cccc([N+](=O)[O-])c1 97984141 NEHDCDZAMVLQHH-UHFFFAOYSA-N 535.606 7.622 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc2ccccc12 101176284 XPVKFGFAWTVPEG-SDHSZQHLSA-N 534.355 6.106 5 40 KKBB CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OCC 102457137 NTYULADATGELOC-SANMLTNESA-N 583.081 6.825 5 40 KKBB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(Cl)cc2)c([N+](=O)[O-])c1 102984437 CMTGAKJIPHTCIN-UHFFFAOYSA-N 566.083 6.923 5 40 KKBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1cc2c(s1)CCCCC2 103125206 SFYNFSKRGCXSNT-JOCHJYFZSA-N 529.412 6.225 5 40 KKBB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)cc1 104085799 SXWBBTXFCZUTRK-UHFFFAOYSA-N 581.050 5.580 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105305985 BLPWLDGLXSMKLN-UHFFFAOYSA-N 578.094 7.297 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Cl 105306071 PPWBIGIXBZKXQJ-UHFFFAOYSA-N 550.040 6.482 5 40 KKBB O=P1(NS(=O)(=O)C(F)(F)F)Oc2c(-c3cc4ccccc4c4ccccc34)cc3c(c2-c2c4c(cc(-c5cc6ccccc6c6ccccc56)c2O1)CCCC4)CCCC3 197212011 QUPMIUPRTYYGNN-UHFFFAOYSA-N 839.872 13.377 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214967055 UTMZUEFPVINKAU-SRZZPIQSSA-N 586.376 6.303 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224516391 VBVSGKZTSKVNAX-RUZDIDTESA-N 598.494 5.300 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225438999 FJOOFSAAAWPNRL-XZOQPEGZSA-N 645.178 5.135 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408565414 BVHDRLXBPDBLJJ-DEOSSOPVSA-N 529.449 6.880 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408568067 HNADXTQXHSLVKU-BABFKJTQSA-N 586.870 5.648 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C(=O)O)n[nH]2)c1 408634034 RFHFBOHMKICXCF-LSHDLFTRSA-N 571.036 6.420 5 40 KKBB Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c5C4=O)c3)CC2=O)cc1[N+](=O)[O-] 408672044 UXNLTJCNCAFYJM-LBPRGKRZSA-N 623.232 6.276 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408680001 FTSQBGHXFCPUEG-ZYNNUQKQSA-N 658.536 6.252 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733708 OSBGVXHYNCKCNN-KCQXITDRSA-N 668.522 5.055 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 408990041 UZTWFHOWVCDENM-WNSYTLDPSA-N 672.897 5.111 5 40 KKBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O 409009513 APTSOTROCXOQJB-PVGUKEHMSA-N 579.425 5.323 5 40 KKBB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 409025641 VMEZRYYXTJYVIE-UHFFFAOYSA-N 517.563 5.251 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)[C@H]34)c(=O)n2[C@H]1c1cccc2ccccc12 409146450 RTXRSRRGRJFNFC-QQGWEUGNSA-N 772.839 6.062 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl 409160169 WCIUJFLUHVDYAO-VULFUBBASA-N 779.993 7.072 5 40 KKBB Brc1ccc(-c2nc3ccc4c(-c5ccc(Br)cc5)nc5ccc6c(-c7ccc(Br)cc7)nc7ccc2c2c7c6c5c4c32)cc1 1776010853 SEWPBGUFDUTXNI-UHFFFAOYSA-N 768.306 12.393 5 40 KKBB Nc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c12)C[C@H](c1ccccc1)S[C@@H]3c1ccccc1 1865633 JUNFLXCNDTUBEI-ISKFKSNPSA-N 542.711 7.594 5 40 KKBB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 12497380 RKXWZVXNPDSPNX-UHFFFAOYSA-N 514.991 5.292 5 40 KKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)C3CCC(CNC(=O)OCc4ccccc4)CC3)ccc12 12868409 RPHWOTQBPAYVQB-UHFFFAOYSA-N 529.589 5.901 5 40 KKBB biogenic CCCOc1ccc([C@@H]2CN3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC 70701337 BIENOZAXCPQCLM-FWUCURJTSA-N 554.603 6.093 5 40 KKBB biogenic COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(Sc5ccc(Br)cc5)cc([N+](=O)[O-])c4)c(Cl)c3n2)cc1OC 96913822 MLSPYJOIGUIHIT-UHFFFAOYSA-N 708.900 8.160 5 40 KKBB O=C1CS[C@@]2(C(=O)N(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c3ccccc32)N1c1cccc(Cl)c1 98009056 BEPGGLLYXQUHLC-MHZLTWQESA-N 618.037 5.326 5 40 KKBB O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(Br)cc(Br)c1I 101055527 XRYCXTADOMCJGP-UHFFFAOYSA-N 543.912 5.116 5 40 KKBB CCCc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103332792 UTYYXHFWFQIORA-LRXFEKEMSA-N 583.644 6.529 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104258888 YXIPCEKMQLVIJU-WTVOAAGRSA-N 525.386 5.199 5 40 KKBB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 105310964 PUZNMWHCAKMQKC-UHFFFAOYSA-N 545.621 5.843 5 40 KKBB Cc1nn(-c2ccccc2)c(O)c1C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1c(C)nn(-c2ccccc2)c1O 108423190 HGDIMXUFLIKKPT-UHFFFAOYSA-N 566.618 5.011 5 40 KKBB O=c1/c(=C\c2cc(I)c(O)c([N+](=O)[O-])c2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163230489 ZMXXTABMMIVJHK-LYRGBEMXSA-N 686.325 5.300 5 40 KKBB Cc1cc2ccccc2c2c1op(N([C@@H](C)c1ccccc1)[C@H](C)c1ccccc1)oc1c(C)cc3ccccc3c12 213499342 OMAJFQDTQQIPJW-HNRBIFIRSA-N 567.669 11.674 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214927828 FOLFYHZOUZZWCB-ZVHZXABRSA-N 569.433 6.572 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222762030 IZFWMPNCBNXXKP-SANMLTNESA-N 621.543 5.429 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223054045 YAJKJLUXEBRULS-NHCUHLMSSA-N 665.596 5.746 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(F)cc1 225604129 DBGLXARVGREVRO-CLJLJLNGSA-N 531.569 5.390 5 40 KKBB C[C@H](NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@H]2CC[C@H]1C2 245228453 YWTZHPUSGYJAHZ-ZKNHNOBHSA-N 570.893 5.147 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260911059 DUDLHOLLSMHKDF-UUWRZZSWSA-N 707.249 6.173 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl 408564675 DNYQAEBHAAGYHV-CIHKJSBTSA-N 528.392 5.103 5 40 KKBB Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 408648101 JONVTDQTWIPQJV-QHCPKHFHSA-N 566.566 6.267 5 40 KKBB COc1ccc([C@@H]2C=C3c4c(ccc5ccccc45)OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]32)cc1 408732251 PYZJUSTVFVXUJI-RUZQMMQPSA-N 580.980 5.932 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735255 OZVFOTCVYRGQTJ-BXMULHQWSA-N 783.610 5.976 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 408771070 FHAHJDBKMCMBFN-XNENXQGPSA-N 693.803 6.153 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408802464 YGGNBPLKRKPRNT-SUAMDDGLSA-N 682.524 5.196 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408872302 CRYLWPVTVNXJHF-UUYOSTAYSA-N 681.302 6.786 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c2=O)=N1 408993209 VDSPDIMETABFEB-FBRKSOCZSA-N 651.751 6.136 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409175509 ZPYRNXBXWPCUPF-VWLOTQADSA-N 522.340 7.475 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 409182666 MVPJVLZDPYLLMD-YDZHTSKRSA-N 571.533 6.643 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccccc1N1CCOCC1 409198279 BMXXDTXDPQELCT-QRQIAZFYSA-N 597.653 5.109 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409219275 KSMRVFMIVFMOLF-ZVHZXABRSA-N 504.520 5.102 5 40 KKBB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccc6c(c5)CCC6)cc([N+](=O)[O-])c4)cc3N2)cc1 1771769 OUUUSJGFYPPMBZ-XNMGPUDCSA-N 593.562 6.994 5 40 KKBB Cc1ccc(S(=O)(=O)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2cc3sc(=O)oc3c3ccccc23)cc1 3653575 QQKQTGURWZSYRZ-UHFFFAOYSA-N 520.544 5.260 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8902045 PJINWUHZBDCWOR-UHFFFAOYSA-N 502.552 5.131 5 40 KKBB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 9614461 WCIUZSQTHOOKBO-QHCPKHFHSA-N 515.747 5.018 5 40 KKBB COCc1c(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)sc2cccc(F)c12 12933696 JNKLTKNBZVHGFA-HSZRJFAPSA-N 508.527 5.940 5 40 KKBB Cc1ccc(OCc2cccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)c2)c(C)c1 13644054 QUKZHQOIDYSQEZ-UHFFFAOYSA-N 501.562 6.996 5 40 KKBB O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2S(=O)(=O)Oc2ccccc2)c(S(=O)(=O)Oc2ccccc2)c1 68563465 SUZRYOJAGSEDLY-VAWYXSNFSA-N 582.568 5.209 5 40 KKBB COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)cc2)cc1 97971204 PNLLOSCXBMKJBK-IJBFMVJYSA-N 582.657 5.885 5 40 KKBB Cc1ccc(CSc2nnc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4[C@@H]3c3cccc([N+](=O)[O-])c3)s2)cc1 101349386 CAQXGYYPPQNJMD-QHCPKHFHSA-N 556.625 6.212 5 40 KKBB CC(=O)Nc1ccc(S(=O)(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)c2ccc([N+](=O)[O-])o2)cc1 104198713 FXLXKCAHCYPNBG-UCQKPKSFSA-N 557.378 6.141 5 40 KKBB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 105317441 MKXKBKXFYSUIJW-UHFFFAOYSA-N 569.643 5.252 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2)cc1 112243235 ZJARYIPSUMNWHZ-UHFFFAOYSA-N 561.664 5.108 5 40 KKBB Brc1cccc2c(SCCCCCCSc3c4ccccc4nc4c(Br)cccc34)c3ccccc3nc12 150408718 HGCNIYSRVPAZPL-UHFFFAOYSA-N 662.516 11.059 5 40 KKBB C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)c(CCC(=O)OC)c4C)[C@]1(C)C3=CC=C(C(=O)OC)[C@@H]1C(=O)OC 198396840 YTZALCGQUPRCGW-UMBAWLCISA-N 718.807 6.719 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225044980 PCJUYALBQMGOBY-UMSFTDKQSA-N 788.150 7.766 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225297245 YBAOQELAALHHNW-WOJBJXKFSA-N 700.041 6.399 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225427685 OCMVRFJCTZKWQX-DHUJRADRSA-N 812.183 7.612 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NS(C)(=O)=O 225469856 LRCMUGUIGBVVFV-RPBOFIJWSA-N 549.634 5.107 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 408569724 XFSQESMZCHQCEK-XABOBXATSA-N 537.975 5.121 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 408571366 ONBZJABRSUHIAJ-DEOSSOPVSA-N 545.448 6.580 5 40 KKBB O=C(O)/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408633010 IWQDMJDPGOZLPD-ZDLGFXPLSA-N 503.323 6.165 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408641057 JJJUVDZOTHANHY-IKTNGCAPSA-N 851.104 7.263 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4[C@@H](C3=O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C3(Cl)Cl)cc2)cc1 408642914 OHFYUBZAAHAELB-QWTJTPASSA-N 822.290 6.358 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OCC)c3)C2=O)ccc1Cl 409158356 KYQHUIDSNCYVJT-MZJWZYIUSA-N 722.094 8.090 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409163991 AYYWZVOYUCULJR-ZMOGYAJESA-N 658.552 6.732 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(F)cc1 409193058 HQAFASMRQXHMBX-XQNWCSQWSA-N 705.193 5.929 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 409227117 OXERTHGJQAJRSS-YDZHTSKRSA-N 598.431 5.620 5 40 KKBB CCCC[C@H](CC)Cn1c(=O)c2c3cc(Br)sc3c3c(=O)n(C[C@H](CC)CCCC)c(=O)c4c5cc(Br)sc5c(c1=O)c2c43 1776010961 LMXXILQLCGIQNL-HDICACEKSA-N 760.614 9.453 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 1848330 MJBBCGHKUWEENV-RILDOFPPSA-N 510.377 7.875 5 40 KKBB O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22837390 CQXYOMJOMLGOQO-UHFFFAOYSA-N 513.337 5.799 5 40 KKBB CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 97995670 SSTVHCNXKXWZLR-UHFFFAOYSA-N 554.603 5.606 5 40 KKBB COc1ccc([N+](=O)[O-])cc1C(c1c(C)nn(-c2ccccc2)c1O)c1c(C)nn(-c2ccccc2)c1O 101139070 USCLVBITRGLKPM-UHFFFAOYSA-N 511.538 5.183 5 40 KKBB CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 101669718 UTYYXHFWFQIORA-UOWMXVQPSA-N 583.644 6.529 5 40 KKBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)CC2)cc1 105354349 BUKHCCRXXVHGJP-UHFFFAOYSA-N 526.549 5.078 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106726979 BTCMDKQZJUPGQD-MYKKPKGFSA-N 521.957 6.627 5 40 KKBB COc1cc2c(-c3c4c5c(cc(OC)c(OC)c5c5cc(OC)c(OC)cc35)CCN4C)c3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C 150389968 YBNHMSCZKYIVGN-UHFFFAOYSA-N 704.820 8.020 5 40 KKBB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 216520233 DZNULMSVXFPCEM-UHFFFAOYSA-N 545.617 5.625 5 40 KKBB O=C(O)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224783562 HROXHLDEYWSGDY-VMPREFPWSA-N 593.690 6.807 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225130869 ZHPFNKKKRBANDV-DEOSSOPVSA-N 518.079 5.738 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225174586 UAOMJNCNZIBSJB-MUUNZHRXSA-N 705.661 6.670 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408568702 IJLHICBSVFOECA-LCILEWSWSA-N 572.843 5.258 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408577764 ZUGCMDCFXDZTMX-AHIAXLNJSA-N 621.315 6.302 5 40 KKBB C[C@@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408672082 ZIAWZAMDUYJYBC-LOTYKFHXSA-N 585.827 5.273 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408678798 DBYPIVLARKJKJV-HCXPYDJZSA-N 529.552 5.044 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408979726 CSCXOBMHHXIZMC-IKJCGGEJSA-N 751.011 6.537 5 40 KKBB Cc1ccc(C)c(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)c1 408995058 IHVXKVOHQBDTPO-UHFFFAOYSA-N 544.405 7.288 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc5ccccc45)c(I)c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 409080236 MIHBUVUDCZXPSP-PLMBTIQCSA-N 857.464 6.648 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 409083392 OFFYODPONWEDDM-PYCBVSLESA-N 606.660 5.359 5 40 KKBB CC1(C)OC(=O)C([C@@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c2c[nH]c3ccccc23)C(=O)O1 409114307 GQQWOTWDXJRSRN-DEOSSOPVSA-N 579.403 6.002 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 409178529 KSNXXKZWJSZIMQ-UHFFFAOYSA-N 510.933 7.613 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] 409180843 WLBHGKPBUUNRJA-RUZDIDTESA-N 538.408 7.834 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409207215 TYVBWMITASLEKB-MTDXEUNCSA-N 618.668 5.084 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 855929 ZMJJKBITYRGQEZ-UHFFFAOYSA-N 538.417 5.902 5 40 KKBB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(Br)cc2)C3=O)cc1 1404717 JUSCWSIJWZVXCU-XMMPIXPASA-N 519.355 5.896 5 40 KKBB O=[N+]([O-])c1ccc(-c2nc(-c3cccc(-c4nc(-c5ccc([N+](=O)[O-])cc5)nc5ccccc45)c3)c3ccccc3n2)cc1 2062935 QYBDAVACGBNTTP-UHFFFAOYSA-N 576.572 8.057 5 40 KKBB O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc2c(c1)Cc1cc(-n3c(=O)c4ccccc4c4ccccc4c3=O)ccc1-2 5084559 CVRWRKPAWYEXLU-UHFFFAOYSA-N 608.653 6.893 5 40 KKBB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 8835368 KCCUKYMNQJGEKA-UHFFFAOYSA-N 512.547 6.407 5 40 KKBB Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2)cc1 9232628 KWYQQTGVNSVVNP-OEAKJJBVSA-N 503.536 5.157 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1F 13778587 NSKVQDNPYBRCIR-ACRUOGEOSA-N 502.285 5.092 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 96022779 WMXYERPACINAMK-QAWNHTNISA-N 518.476 6.218 5 40 KKBB CCc1ccc(C2=NN(c3ccccc3)[C@]3(SC(C(C)=O)=NN3c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 97951826 YXSIGIQRMZXNDN-WJOKGBTCSA-N 547.640 6.696 5 40 KKBB CCn1c2ccccc2c2cc([P@@](=Nc3cc([N+](=O)[O-])ccc3C)(Oc3cccc(Br)c3)C(C)(C)C)ccc21 97984392 JDKHGPAXWVELLF-LDLOPFEMSA-N 604.485 9.744 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)cc2[N+](=O)[O-])cc1 100367595 NRUKQNLSNZACGI-OYKKKHCWSA-N 533.631 6.346 5 40 KKBB CC[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@@H]1CC[C@@](C(=O)O[C@@H]3C[C@@H]4CC[C@H](C3)[N+]4(C)CC)(c3ccccc3)c3ccccc31)C2 100764704 LIIILPIXOYWUHW-BGAYVUKXSA-N 600.844 6.256 5 40 KKBB Cc1ccc(NC(=O)Cn2cc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c3ccccc32)cc1 101631671 ZATMDQYTMUBAKK-QFEZKATASA-N 526.574 5.733 5 40 KKBB COc1cc2c(cc1NC(=O)[C@H](C)N1CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC1)oc1ccccc12 102987552 FEUXSHLLGPZATO-INIZCTEOSA-N 542.514 5.671 5 40 KKBB CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 103033762 ZRGKAHPXLFHGIB-UHFFFAOYSA-N 528.999 5.449 5 40 KKBB O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 103081238 RGENHGIXTJSBJA-OAQYLSRUSA-N 536.755 5.208 5 40 KKBB Cc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 105306189 KQHNMZWLTYGYMU-UHFFFAOYSA-N 550.044 5.408 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306257 UJNUVEJWXVSWOK-UHFFFAOYSA-N 555.975 5.159 5 40 KKBB CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 105313607 LIGLLKDGKDXWFH-UHFFFAOYSA-N 543.653 5.317 5 40 KKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105313792 SZFTUCSAGRORCU-UHFFFAOYSA-N 540.605 6.147 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 106707840 UEHZUXLWMUVQEJ-QRVIBDJDSA-N 539.407 6.481 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccc(F)cc2)sc2c1CCC2 150391429 BNSLEHGLYXUKNR-MRXNPFEDSA-N 638.703 5.091 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223579564 SKANTJMPMRBRTE-IBGZPJMESA-N 526.417 5.011 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223810889 OIYKMWYCQXADMX-QHCPKHFHSA-N 657.189 5.545 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224174586 QBFWCEHAYYSBGN-PMERELPUSA-N 636.771 5.282 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224324964 XIXCMLSLAKJNKT-VWLOTQADSA-N 508.018 5.346 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224811788 KZVGMBKMHNFDAY-QFIPXVFZSA-N 526.486 5.714 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225201956 PWHRXVCGUTYDGK-SSEXGKCCSA-N 654.761 5.503 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 250583409 PITKDJZMYYQOJQ-CDORBJOZSA-N 508.530 5.036 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 408565499 CCDXDUJSAKVWKR-DEOSSOPVSA-N 619.925 6.698 5 40 KKBB CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OCC 408565905 DECMMQXJHKHJJL-JOCHJYFZSA-N 535.464 5.863 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)cc1 408566736 GAJNQVWTRYVMBI-RUZDIDTESA-N 525.030 6.317 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c1 408572167 QRZQHIFIKKBUHK-XMMPIXPASA-N 563.894 7.533 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1 408577788 ZWMPFLOVYFPCCE-HXUWFJFHSA-N 515.791 6.580 5 40 KKBB COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cccc(NC(=O)c4ccc(Br)cc4)c2)C3=O)cc1[N+](=O)[O-] 408674204 YEHBONOHDRMKPF-UHFFFAOYSA-N 658.417 5.459 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408690152 ZUOCJTRHJWKHPY-SNINSWTHSA-N 658.536 6.252 5 40 KKBB O=C1Oc2ccc3ccccc3c2C2=C[C@H](c3ccccc3)[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]3[C@@H]12 408730741 HLWNVNFYYGWMFE-WTEOMTDASA-N 550.954 5.923 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409039343 QLVMAQRKEMOQSV-ZMTYCLHQSA-N 752.640 5.852 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409039655 RRZDPFKUSGZMIL-JBDHCHCMSA-N 682.549 5.525 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1C 409159362 ZQWKGVQYZGTIDK-FSJBWODESA-N 548.533 5.587 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)ccc1Cl 409162990 KIZNCXAFLIJBHJ-MBTHVWNTSA-N 647.109 6.883 5 40 KKBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)c(OC)c1 409171781 AJVIXDXVMQBHMG-NLRVBDNBSA-N 559.600 5.592 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc2ccccc12 409274932 RHULNJQTFVVERJ-QQXSKIMKSA-N 539.569 6.002 5 40 KKBB CCC1=C(CC)C2=C(CC)C3=C(CC)C(CC)=C(C=C4C=CC(=N4)C=c4cc(CC)c([nH]4)=C(CC)C1=N2)[N@@+]3([O-])CC 504823406 GILYDNYJNRJERM-FAIXQHPJSA-N 550.791 7.738 5 40 KKBB Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)c1 781470 VCGWBZDFKPUNAT-IBGZPJMESA-N 503.584 5.491 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 6289382 FBYSVMDJYJPTJM-RGVLZGJSSA-N 532.361 6.334 5 40 KKBB O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 14153211 RVEWTSYRAMTPFX-UHFFFAOYSA-N 503.536 5.221 5 40 KKBB O=C(OCc1nnc(-c2ccccc2)o1)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 25396536 SVIITUVOBZKRKZ-LTGZKZEYSA-N 518.529 6.427 5 40 KKBB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 51103489 VURJIIOXOVRNDN-UHFFFAOYSA-N 542.583 6.872 5 40 KKBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 97980170 ZROFMDBZHNTQJE-MRAXCHOJSA-N 575.496 7.939 5 40 KKBB O=C1N[C@]2(Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)/C(=C/c2cccc([N+](=O)[O-])c2)S1 100849773 RCAFAKOWHZHLQX-GEAXRWQCSA-N 549.406 6.052 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1Cl 101075495 KPCXMJQIWLKIDQ-IZZDOVSWSA-N 529.721 5.722 5 40 KKBB Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)Nc3c(C)cccc3C)ccc12 102415349 MVABIHGIFPPDFQ-UHFFFAOYSA-N 562.669 5.781 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N23)c1 102547813 XDKVONHITCMNLZ-ZXFZPVEDSA-N 585.616 5.850 5 40 KKBB O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 102555180 LEVZZQYMTBONFN-PVHODMMVSA-N 569.957 5.519 5 40 KKBB COc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O 105315416 TXAMAGYYMBNIGO-UHFFFAOYSA-N 558.616 5.494 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112240019 NFLKWSSAWNPDQD-UHFFFAOYSA-N 554.053 5.488 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C 147936811 TYFXHMRRXLKSBT-HSZRJFAPSA-N 579.708 5.496 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 214983491 YNNOKBIHALGEEG-ZVHZXABRSA-N 533.562 5.166 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1cccc2ccccc12 215018482 HANDSSLAJBRHGY-JVWAILMASA-N 526.570 6.572 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br 215054394 DMLGLPGSWIXXIT-SRZZPIQSSA-N 579.350 7.405 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 225175057 JCHWLXBITAYJIK-RRPNLBNLSA-N 527.606 6.084 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(F)cc1 225599815 UUMGHFYBYAZZOL-IZZNHLLZSA-N 531.569 5.390 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(F)cc1 408565264 BLUIUWHMXYVFOM-HSZRJFAPSA-N 516.957 6.196 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Br)cc1 408571183 OBPKGSSETNEIDI-NRFANRHFSA-N 574.269 7.079 5 40 KKBB Cc1c(NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 408586541 NPVVSSBULJPHCE-UHFFFAOYSA-N 508.383 5.040 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccccc1 408676242 AOMHLTHRAUOANX-WVZRZZCNSA-N 652.101 5.282 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408679877 FMIRSNHHTCWUDQ-FZDFQQAASA-N 563.997 5.698 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733400 IFFKZUNIRRRTSK-ZYDFGXJWSA-N 644.887 5.088 5 40 KKBB Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1 408750666 QCEQFPNGLRAHCT-UHFFFAOYSA-N 522.564 5.194 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1OCC 408932177 BLRTUMYXDMIRRY-MGQZUQOPSA-N 724.586 5.074 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408975887 OSCFPXVWSNIDNY-OTUYAIOISA-N 766.762 7.908 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)cc1 409091237 RXHUOOJXMMJFRB-PYCBVSLESA-N 622.659 5.059 5 40 KKBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 409100357 URUOPMSPFHQIIW-YDZHTSKRSA-N 506.536 5.315 5 40 KKBB CCN1C(=O)/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c2ccccc21 409135591 RKHDYLDAAKELLZ-NDENLUEZSA-N 556.356 5.694 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1cccc(Br)c1 409152024 ISOZOLRKRKSLMK-UFFVCSGVSA-N 658.246 8.167 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCO2 409174460 MMBSSOGCYXAPMX-LSFURLLWSA-N 587.488 5.810 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409207283 RFMVZVTUCFSOFE-BHGWPJFGSA-N 568.007 5.819 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C 409343041 HTZBGHRYEPMOBJ-NRFANRHFSA-N 565.483 5.679 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c(C)c1 409374325 MMQVPLWTFGJOTN-SRZZPIQSSA-N 570.421 6.218 5 40 KKBB Cc1ccc(C(C)C)c(Oc2cc(NC(=O)c3cc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)c1 1819368 ZPAHIKUOAFRMNM-UHFFFAOYSA-N 581.576 7.861 5 40 KKBB O=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)c1ccc(COc2ccc(Cl)cc2Cl)o1 2112440 KVXYXFJFNDUIAJ-UHFFFAOYSA-N 533.751 7.772 5 40 KKBB Cc1ccc(NC(=O)CSc2nc(-c3ccc([N+](=O)[O-])cc3)nn2CC(=O)Nc2ccc(C)cc2C)c(C)c1 3616463 PTKTZATXRLYNKC-UHFFFAOYSA-N 544.637 5.456 5 40 KKBB Cc1ccc(-c2nn3c4ccc(Nc5nnc(-c6ccc(C(N)=O)cc6)c6ccccc56)cc4nc3c3ccccc23)cc1 97966878 CBPSYGUPDYNPOG-UHFFFAOYSA-N 571.644 7.464 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccccc6Br)cc5)nc34)c12 98046177 PYTOMBLKZZQDTK-UHFFFAOYSA-N 552.404 7.142 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1 100348084 GXZJNQLBJYTECT-BKUYFWCQSA-N 525.995 6.074 5 40 KKBB Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)nc3ccccc3c2=O)c1 103089418 LBCHVUNBIGIMIV-UHFFFAOYSA-N 528.512 5.660 5 40 KKBB CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1 105315802 ZMCJALGSGJLCGB-INIZCTEOSA-N 543.715 5.023 5 40 KKBB C[C@@H]1C[C@@H](N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O 105513388 BPQHEHRVKPLBQY-YKGWIAGDSA-N 588.620 5.333 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)c1 150392847 PMXXEFFVZPTVJQ-HZHHUVPKSA-N 632.698 5.370 5 40 KKBB Cc1c(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)n2-c2ccccc2)cccc1[N+](=O)[O-] 150411338 MOSAWDJHDHYCQQ-HHHXNRCGSA-N 655.737 6.085 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Br)[C@@]1(Cl)[C@]3(Cl)O[C@@](Cl)(C(Cl)=C3Cl)[C@]1(Cl)[C@@]1(Cl)[C@@]3(Cl)O[C@@](Cl)(C(Cl)=C3Cl)[C@]21Cl 151058435 AVFKJPRMXDMQMG-DMSQCDIVSA-N 801.557 9.401 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N1 163456086 DLTYJPUPBNQKNC-VSQRRKBNSA-N 655.773 6.198 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214249882 NMOQPRBPZPDALW-SSDVNMTOSA-N 548.470 6.790 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224118817 VJGXQAOCAYXTJP-JGCGQSQUSA-N 628.751 5.265 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224207291 LUEUIOVLHODYPS-WJOKGBTCSA-N 649.169 5.610 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 224479764 MTBKYQPAMXOMIB-ZEQRLZLVSA-N 506.971 6.089 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224673349 GDXDIPDJQRFHGA-HHHXNRCGSA-N 601.125 5.023 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 224822197 WUJVOVBWKLOMFP-UMSFTDKQSA-N 654.789 5.797 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225477480 WAPURGANDXEJGJ-MUUNZHRXSA-N 614.526 6.378 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 227218325 DCWVYNINOMSNGW-VVHYXOSJSA-N 681.542 7.546 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261055827 MVAAUTYWSRRLLU-SYBRLPANSA-N 642.778 5.653 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccccc1Cl 408569976 KLLDWLHZGALGHO-DEOSSOPVSA-N 559.475 6.889 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 408573663 UAJGJTOTQLACBE-RUZDIDTESA-N 583.508 6.653 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408641596 KOSWLBOVULSJER-UHFFFAOYSA-N 697.281 6.420 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)CC1=O 408649072 ZIHXBTCUZCTMBV-SFHVURJKSA-N 503.555 5.685 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408650689 MRFCBPADRIXUTE-MFTWVQLTSA-N 746.559 7.253 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4OC)C(=O)[C@H]23)cc1 408723193 ORYIYHYXBYVPNM-IEROYTCOSA-N 692.724 6.810 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c(C)c1 408748435 AGQMHGHYXVWOGO-UHFFFAOYSA-N 518.576 5.353 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1Cc1ccc(Cl)cc1 408869473 PPZHWXDYYSMEBZ-UUYOSTAYSA-N 606.825 6.668 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n21 408936093 FKESLOOGBHXALX-ZFWDJNJRSA-N 672.941 5.780 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 409177734 IFFYJXYSFWRINC-SANMLTNESA-N 506.470 5.176 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2Cl)nc2ccccc12 409184922 YVCGPAOTJMLIEZ-LJAQVGFWSA-N 522.944 7.244 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409196576 WIUGEFSFWZKTFO-WPWMEQJKSA-N 744.564 5.689 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)C2=O)cc1 409244751 IFSDPJRBVNHGAY-WYMPLXKRSA-N 628.457 5.629 5 40 KKBB Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)cc12 3311756 UNYMPZVKFINECE-XMMPIXPASA-N 546.992 6.494 5 40 KKBB O=C(NC(=S)Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8833185 DHPGGWLCXCITRB-UHFFFAOYSA-N 503.609 5.599 5 40 KKBB CCOC(=O)C(C(=O)OCC)=C(SCc1ccc([N+](=O)[O-])cc1)SCc1ccc([N+](=O)[O-])cc1 8955380 VGOZXKSYUKDCAG-UHFFFAOYSA-N 506.558 5.007 5 40 KKBB COc1cc(NC(=O)COC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)cc1[N+](=O)[O-] 12569761 UCHPHAVOZUOIGZ-UHFFFAOYSA-N 500.960 5.653 5 40 KKBB O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 33358563 MPRBNOGEPWPRBO-IRLDBZIGSA-N 604.010 7.700 5 40 KKBB Cc1nc(NC(=O)c2cccc(C(F)(F)F)c2)sc1-c1csc(Nc2cccc([N+](=O)[O-])c2)n1 40556487 MRNBERVOLRZGFG-UHFFFAOYSA-N 505.503 6.498 5 40 KKBB COc1cc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C2CCCCCCC2)cc2c1OCCO2 79502102 QDCHIDGQDCVHIC-UHFFFAOYSA-N 529.593 6.783 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1nnc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])s1 95676344 KFBNMOABEGDGLY-UHFFFAOYSA-N 618.431 6.511 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)c4ccc(C(=O)OCC(=O)c5cccc([N+](=O)[O-])c5)cc4C3=O)cc2)c1 100744571 NQEKOTUBMGXQSQ-UHFFFAOYSA-N 578.577 6.659 5 40 KKBB CCCCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 100951656 WNUSWKUQRMNRRP-PFBJBMPXSA-N 515.566 5.605 5 40 KKBB Cc1ccc(C(C)C)cc1CN1C(=O)[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2cc(Br)ccc21 101091273 FAQSBFYMTGRQFB-HHHXNRCGSA-N 537.410 5.797 5 40 KKBB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)c2cc(S(=O)(=O)Nc4ccc(C)cc4)ccc23)cc1 102415364 CPYWWTFQMAGYNW-UHFFFAOYSA-N 534.615 5.165 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103529088 KYSWBXRMYWBYRO-PBNWVGGGSA-N 559.553 5.716 5 40 KKBB Cc1c(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)n2-c2ccc(F)cc2)cccc1[N+](=O)[O-] 150387931 QSFOIHGNNKKZLX-MHZLTWQESA-N 673.727 6.224 5 40 KKBB Cc1ccc(COc2c(Br)cc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)cc1 150463524 FPQWFUKZGNJNBB-UUYOSTAYSA-N 618.303 7.244 5 40 KKBB COc1cc([C@H]2c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3N=C3C(O)=Nc4ccccc4N32)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 150467730 WLGMOQQFYNHBCT-PMERELPUSA-N 695.670 6.323 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 205755611 MABHAPFHPSVNHB-RGVLZGJSSA-N 589.367 5.632 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 215191100 LJBLQSFQQLXDPJ-KIBLKLHPSA-N 568.991 6.191 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223199342 CSPAGEWQDOXQGK-NDEPHWFRSA-N 624.760 5.138 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225015158 AIHHIUOLZDGDPX-XIFFEERXSA-N 719.658 6.252 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225073031 UMQFQXBWFPIKSF-PMERELPUSA-N 606.745 5.355 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225286752 DVNLNQALTSQLHL-SANMLTNESA-N 621.543 5.431 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 225636874 MVTARSYRXZLRON-NSOVKSMOSA-N 541.633 5.868 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225673762 XJJBTPFEJLOATK-CCLHPLFOSA-N 635.570 5.819 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)N=C1C 245238656 XUWLGTGIHPXLNS-WLNZHLEZSA-N 537.620 5.990 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260759420 FJAXKTXSGSIZSK-HXUWFJFHSA-N 712.052 6.543 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 261005517 QXJNTUUYHTZTFG-GDLZYMKVSA-N 627.163 5.022 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408564871 APIOMJHGHUNYMD-XMMPIXPASA-N 672.816 8.386 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408574478 UXLNNZSYGDXTJJ-HSZRJFAPSA-N 642.334 7.482 5 40 KKBB CCn1c(S/C(=C/c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1ccc(Cl)cc1 408632547 JNVUWPRZAXAGEM-PXLXIMEGSA-N 539.038 6.896 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1 408684119 MVSHMSKXTOQINS-WVZRZZCNSA-N 686.546 5.935 5 40 KKBB O=C(NCc1ccccc1)c1ccccc1C(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408748535 DRNNQXYTHLJILG-UHFFFAOYSA-N 554.653 6.679 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408868419 ONPSQXLYKCVFSJ-UUYOSTAYSA-N 589.851 6.835 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408928761 HUUPPBFZJGEZPC-AFUMVMLFSA-N 596.061 6.518 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 409001659 QBFGNGPEQYGYCL-XFPFAXQNSA-N 720.760 6.676 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409033788 LSWQLXPLUOICAG-FZEVDNDPSA-N 674.688 5.203 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c2=O)=N1 409034853 IGJKPDOSJGBVHN-KOHOJCOXSA-N 736.641 6.236 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccc(C(F)(F)F)c2)N1Cc1ccccc1 409125559 AXUCAPDQKWOWGI-MHZLTWQESA-N 517.507 6.975 5 40 KKBB COc1cccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 409190461 NZXGPYPBSJKHPG-JEUHMODBSA-N 628.229 6.092 5 40 KKBB Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c1 409194520 OOMRKILEFVDMBT-JAIQZWGSSA-N 586.192 5.992 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409248944 GBABCLNFMBFVMO-XKZIYDEJSA-N 659.414 5.102 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1cccc2ccccc12 409270780 APSKHEONDVWKGS-YDZHTSKRSA-N 533.949 6.336 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccccc3Cl)C3=C(N=4)c4ccccc4CC3)o2)cc1[N+](=O)[O-] 1815430 FJARCURRMDMBNY-ITNPZBTBSA-N 580.065 6.449 5 40 KKBB CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1 9601665 FDZUMADPECTZDJ-PDAMRLRISA-N 532.685 5.973 5 40 KKBB COc1cc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc(OC)c1OC 10120251 KVLNVOUFDOGVGF-UHFFFAOYSA-N 515.478 5.941 5 40 KKBB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 97996965 SRFGFBLZDUNENE-UHFFFAOYSA-N 579.643 6.371 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 100250917 VAVXZUQBBRJJHV-VPHSIRQSSA-N 601.681 5.371 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 100300569 XVJYJXKBVDAHCH-UHFFFAOYSA-N 523.304 6.115 5 40 KKBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccc2c(Br)cccc12 100380051 CJOFDKGDHWMTKJ-UHFFFAOYSA-N 533.835 5.001 5 40 KKBB CCCCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 100951653 WNUSWKUQRMNRRP-PVHODMMVSA-N 515.566 5.605 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 101964194 JPXMHWGNTBKZTR-CRCYZHLCSA-N 572.067 6.202 5 40 KKBB O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 102896827 BBUWHNWAKLCWMN-VJGNERBWSA-N 569.957 5.519 5 40 KKBB O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 102955311 DCXMQBXTTIMCJW-UHFFFAOYSA-N 535.409 5.555 5 40 KKBB O=C(c1ccccc1Cl)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 103546708 IBCZGCCENCMFBC-NBJHOTSESA-N 576.008 6.104 5 40 KKBB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307953 LPCJETKUROGUMP-UHFFFAOYSA-N 536.017 5.018 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 105499002 KFIYTMZWRZIPMW-PNZYDNNZSA-N 596.086 5.342 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224527511 HKHIWXOWJDVRCW-HKBQPEDESA-N 697.641 6.652 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 224681844 RXUPJFXWOINTIK-LOYHVIPDSA-N 547.640 7.058 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225719354 KTZHDGWXBLUFAI-NRFANRHFSA-N 710.047 5.713 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260975080 JWNXYASFCSPQNP-JOCHJYFZSA-N 687.613 5.346 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261004563 SJHMROCFIYMAGP-KMRXNPHXSA-N 679.623 6.136 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261041437 KMWWUWWBCLASPR-DICHSLLOSA-N 628.751 5.345 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1cccc(F)c1)[C@H]1CCCN12 408563490 AMIPZIVFUINWHG-YUHKXCSQSA-N 552.400 5.222 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1Cl 408565983 DMARODVSEYLIGD-HXUWFJFHSA-N 529.818 6.970 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1 408571388 OPADLYQURVQASX-VWLOTQADSA-N 633.952 7.088 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408649035 XCPOGGIRXGQLDG-UHFFFAOYSA-N 618.385 5.657 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730392 QKHYUCUPWIDMLM-IZBTWGKQSA-N 584.437 5.273 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408829028 WVDZFIVCTHEGGL-CRCYZHLCSA-N 774.431 5.961 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917250 PUTCLEZDIXOQPF-AFUMVMLFSA-N 654.336 8.089 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409033595 FTMKZYLHSPVWSS-GWRYVSOYSA-N 757.059 6.497 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409040033 SFVKWPXIJNLPEJ-BXMULHQWSA-N 757.059 6.497 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1CC1CCCCC1 409138332 ZZWCCXUUMZDPNU-CIAFOILYSA-N 521.422 7.097 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 409153013 KOMQCNBKYRFYMA-SSDVNMTOSA-N 652.401 6.852 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)c1ccc(Br)cc1 409217396 CJGADSDOFXMJGP-SSDVNMTOSA-N 584.360 5.977 5 40 KKBB COc1ccc(C(c2c(-c3ccc(C)cc3)n[nH]c2O)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1[N+](=O)[O-] 409367636 GSPAMZYYNSOUOM-UHFFFAOYSA-N 511.538 5.592 5 40 KKBB O=C(C[S@](=O)c1ccc(SC(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl 8741817 XYUSQHCUMWBNLK-WJOKGBTCSA-N 506.833 5.625 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccccc4[N+](=O)[O-])c3)nc2c1 16611029 XBZNDBBCTSUCDU-MRXNPFEDSA-N 504.568 5.809 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 21124221 WYTKUUXHUJJOBH-IROCBMIISA-N 516.985 5.262 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-n1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccc(I)cc2c1=O 100026502 ATMQPKAJGYKDPR-VZUCSPMQSA-N 554.300 5.286 5 40 KKBB O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2)c1ccc(Cl)c([N+](=O)[O-])c1 101017531 RFDXMIMCECWFGR-HXUWFJFHSA-N 507.337 5.801 5 40 KKBB COc1ccc(C(=O)Nc2sc(-c3cc4c(=O)n5ccccc5nc4n(Cc4ccco4)c3=N)nc2-c2ccc(C)cc2)cc1 101344468 KYGNAWANVRAMNH-UHFFFAOYSA-N 614.687 6.130 5 40 KKBB CCCOc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 101375135 RWNXCLOGXUGYJO-UOWMXVQPSA-N 599.643 6.365 5 40 KKBB CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@]2(S1)c1ccccc1C(c1cccc3ccccc13)=NN2c1ccccc1 103757266 KZWOKCOVJBZLAJ-UUWRZZSWSA-N 599.672 7.261 5 40 KKBB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3O)nc2c1 105310628 KBKVSWCKVMIUJG-UHFFFAOYSA-N 531.594 5.398 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(Br)cc3)C3=C(N=4)c4ccccc4CC3)o2)cc1[N+](=O)[O-] 163212163 VJVJSIQVQHXDHY-UAMLYEQYSA-N 624.516 6.558 5 40 KKBB O=c1/c(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 163776905 RZTPSJZGZADZHN-KEPJHFNWSA-N 829.479 7.077 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223432001 WHJBRILSKCHHKU-LXFBAYGMSA-N 533.694 5.691 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)cc1 224517084 RIVKPMNFSGWKSG-GOTSBHOMSA-N 521.396 6.189 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3C3CCCC3)cc2)cc1 224768759 NTHAMOHOLYZZSI-WUFINQPMSA-N 541.702 7.235 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(O)cc3)cc2)cc1 224783042 GPNNUWYPXLFAPR-WDYNHAJCSA-N 565.680 6.814 5 40 KKBB CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 253487979 UTYYXHFWFQIORA-HXLKRRFRSA-N 583.644 6.529 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260827901 ZGYPCJHQSVJCLD-OAQYLSRUSA-N 726.079 6.934 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260861113 BLHVWWIJXUFUAY-HSZRJFAPSA-N 645.178 5.258 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl 408567573 GWNYNHMCPRQDDR-XMMPIXPASA-N 621.916 7.219 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 408567611 GYOLOGHDVTZERT-XMMPIXPASA-N 624.344 7.343 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729853 KALNCEAVCGIKNH-DKOMQPSQSA-N 797.365 5.184 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 408766053 OEZVPLKYFWSSNM-LMVPNCJUSA-N 678.744 8.451 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)cc1 408821571 IZAHYMJNAMDYHH-ZJTZAHLKSA-N 678.561 5.365 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408844885 FOPGLRPPDMVFMR-VPHSIRQSSA-N 771.484 6.598 5 40 KKBB O=c1/c(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2nc3ccccc3n12 408903097 PDIVZQUHEILRLP-JAIQZWGSSA-N 681.249 5.153 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408933883 AUVGQCGZOMQVDB-SJXDCSIJSA-N 648.137 5.726 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408938179 KXEHRHBBMQLGNT-VPHSIRQSSA-N 727.033 6.489 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1cccc(OC)c1 408994104 FSPJUWNFHDFSQW-WAHKBFHJSA-N 596.708 6.251 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 409092467 YUQLHYUBMZNTKB-JDKSNUEYSA-N 716.197 5.461 5 40 KKBB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 409099236 KHFAXDYATSLBRN-IDUWFGFVSA-N 692.169 6.895 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409140064 HQMCLAOPWZEHGO-WQNUKSJVSA-N 682.980 6.010 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl 409153884 IUIQDWXQGVZCDW-MSXFZWOLSA-N 674.913 6.441 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409159126 QBXCBBAQHUPYBU-JJFYIABZSA-N 569.979 5.587 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(CNc3ccccc3Cl)cc2Br)cc1 409183275 RBTOESVGWNPQRS-UHFFFAOYSA-N 526.612 6.964 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409271088 IWWWHLIRDQGAQO-VULFUBBASA-N 575.599 5.157 5 40 KKBB COc1ccc(-c2cc(C(=O)Nc3ccc(Oc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)c3ccccc3n2)cc1 2765695 UUEASNYQEVXQLN-UHFFFAOYSA-N 536.500 6.771 5 40 KKBB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 6632107 BCZNXSTYRXQCQO-FCCHYQJHSA-N 506.558 5.701 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 33354207 ITHYJZTURXOKBD-OJTHMWKKSA-N 543.579 5.037 5 40 KKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 62556263 WWKZNABFUABKEP-QHCPKHFHSA-N 518.923 5.769 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@H]1C(c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)N=C1C 100930841 JJFZXDSDHSNMCQ-ULJKERAFSA-N 537.620 5.990 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2nn(CC)cc2[N+](=O)[O-])[C@@H]3c2ccc(OCC)cc2)cc1 101994367 JIZBZIOCNVYPER-NPDUBIEBSA-N 543.624 6.045 5 40 KKBB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 102937678 UNRGVIPQZCPUPO-UHFFFAOYSA-N 616.073 6.215 5 40 KKBB COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)/C(=C\Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3C2=O)c1 103004427 WPQGBFZNQLXRMV-QJOMJCCJSA-N 605.028 5.698 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccccc1Cl)[C@]21C(=O)Nc2ccccc21 103548681 NWWPPZXHZYEGEJ-CLWMVSBGSA-N 590.035 6.494 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3O)nc2c1 105306557 WDQFDSLRYIAWRE-UHFFFAOYSA-N 561.620 5.195 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(OS(=O)(=O)c5ccc(C)c([N+](=O)[O-])c5)cc4)c(=O)n31)c1ccccc1CC2 163208111 UJJFKROWDQNXIH-VSQRRKBNSA-N 665.749 5.312 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 214079375 DBKKKDSMZXTTNT-YDZHTSKRSA-N 603.878 7.225 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223371087 LNOWILHVDUCJTH-PMERELPUSA-N 635.142 5.220 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224178175 MZLQOINCHQNIDP-MUUNZHRXSA-N 671.216 5.935 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)o2)c1 224656726 CLCXURXJMHDUGY-VMPREFPWSA-N 534.597 7.219 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225346653 CQICUSIKITXHKA-HHHXNRCGSA-N 665.596 5.748 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)o1 225466921 ZHNNMLAIEIWKOU-FTJBHMTQSA-N 579.660 5.115 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408563858 BFDUCDPNERUGEN-SIJZCSJPSA-N 612.908 6.135 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408566026 MQWCVMJOXWZOLR-NBQQIJHXSA-N 535.600 5.482 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408637716 AUYCWGIRPWOAPC-UHFFFAOYSA-N 628.391 5.113 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 408640502 IFQMHRQIHASAMW-WSNNEZGNSA-N 638.460 5.782 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Br)cc1 408650211 LYAMDYXKMBUVRJ-RAWLKHAVSA-N 636.458 5.490 5 40 KKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)c(Cl)c1 408725107 CVFSHRXMQWLTCX-NHDPSOOVSA-N 501.347 6.722 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OCC 408738501 KZODDEMNZFRJSA-RISWYLRJSA-N 594.045 5.019 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)c1 408770350 WKWWUXRCSWQGGM-PNQAETMRSA-N 693.694 5.500 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c2=O)=N1 409041268 UKAIWPVNHDAOHV-IVQFASICSA-N 722.614 5.845 5 40 KKBB O=C(O)COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409112705 GEGXDRQWTLVEJK-LJAQVGFWSA-N 523.545 5.420 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)N1CCc2ccccc2C1 409261291 CJBYKEMACMWRTR-WYMPLXKRSA-N 662.440 6.790 5 40 KKBB CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 409352181 ZDUICQYESNELIX-IBGZPJMESA-N 571.874 5.541 5 40 KKBB O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3-c3ccccc3-c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1 2030241 LSEWUOCWTDBQJO-UHFFFAOYSA-N 532.472 6.604 5 40 KKBB Cc1ccccc1/C=C/c1nc2ccc(I)cc2c(=O)n1-c1cccc([N+](=O)[O-])c1 13553036 LPSNQNRJAWLOOL-FMIVXFBMSA-N 509.303 5.377 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)[C@H](c2ccccc2)[C@H]1c1ccccc1 100969683 FPGOEXLAEHZMDK-ZHYVTBQMSA-N 604.662 6.740 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 103816997 IYSOSTGVDRBIJX-UQDCTOEPSA-N 551.649 5.857 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6cc([N+](=O)[O-])ccc6OC)o5)c(=O)n42)c2ccccc2CC3)cc1 104656858 DWRWGQUESOCMGL-MRWVFDTMSA-N 591.645 5.504 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1 150416337 RMQDAOXXPDCYPP-FQKMCRJQSA-N 639.608 5.526 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205687726 LBZZJXDLDCDIGG-LPYMAVHISA-N 525.380 6.173 5 40 KKBB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223857474 ULNRPUIKHGWZKA-GOSISDBHSA-N 671.987 5.621 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224134772 SCGNACLWSDNYGC-XIFFEERXSA-N 707.249 6.235 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224572201 DMSLMLGOEKSIGF-MHZLTWQESA-N 649.597 5.531 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(Sc4ccc(Cl)cc4)o3)cc2)cc1 224785579 GCIRQFLLMPGTHW-FQLXRVMXSA-N 617.177 8.716 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NS(C)(=O)=O 225469894 LRCMUGUIGBVVFV-LOSJGSFVSA-N 549.634 5.107 5 40 KKBB CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229931840 ICZJZIATRJSWEA-OHVVKICRSA-N 611.698 7.184 5 40 KKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1c[nH]c2ccccc12 408565666 CRTDMPRWEFOVPO-IBGZPJMESA-N 520.210 7.225 5 40 KKBB Cc1cc(Br)ccc1NCc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 408602827 AXLDRSTUEHJSST-UHFFFAOYSA-N 506.194 6.619 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 408613728 ZUJRLVIMHYGCFL-UHFFFAOYSA-N 581.794 5.799 5 40 KKBB CC(C)(C)c1ccc(OC(=O)c2cc(-c3ccccc3)nc3cc4nc(-c5ccccc5)cc(C(=O)Oc5ccc(C(C)(C)C)cc5)c4cc23)cc1 408720770 ZDCJRQAUHGBMKD-UHFFFAOYSA-N 684.836 11.150 5 40 KKBB CC(C)c1cc(I)ccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408738941 XEVLDAHPCXRCDB-XMMPIXPASA-N 587.414 5.799 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408781431 AHAWFYXVDYXDHH-PEPUGYCWSA-N 868.569 7.512 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2ccccc2c1Cl 408848838 WHWZHCWOHFSQJL-LDADJPATSA-N 583.803 6.789 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1cccc(C(F)(F)F)c1 408871182 YAPVKAZWGFELGX-ODLFYWEKSA-N 517.441 5.549 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C(F)(F)F)ccc3OC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408873722 VEHIPIXCXFESFF-MXAYSNPKSA-N 631.585 6.275 5 40 KKBB CCOc1cc(C(c2c(C)nn(-c3ccccc3)c2O)c2c(C)nn(-c3ccccc3)c2O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 408984753 JVVRCNKVZDXFJE-UHFFFAOYSA-N 645.672 6.792 5 40 KKBB O=C(Nc1cccc(Br)c1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409081030 JGAZBUMNLWUFFJ-UHFFFAOYSA-N 524.374 7.492 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409101548 YXXDLHXUKLPTBY-QTTRZTASSA-N 591.089 5.234 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccccc2Br)N1Cc1ccccc1 409147733 VRSDYEKDPQIBOA-MHZLTWQESA-N 528.406 6.719 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1C 409159086 ZBMYGBGDSSDBCP-FOKLQQMPSA-N 650.429 7.460 5 40 KKBB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409174315 RTEVPEBFVGSIBQ-UHFFFAOYSA-N 501.278 5.033 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 409177730 IFFYJXYSFWRINC-AREMUKBSSA-N 506.470 5.176 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccc(Br)cc2)cc1 409184167 XPRICNDQUYESOD-MHZLTWQESA-N 546.373 6.717 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1Cl 409256278 KSFFSZQSWWLUKD-FSJBWODESA-N 617.861 6.518 5 40 KKBB Cn1c(CSCc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409362055 QXWOHHRPAPOBCI-UHFFFAOYSA-N 532.862 5.848 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)o1 409387898 YDGOISXALWZTSP-SRZZPIQSSA-N 650.403 5.403 5 40 KKBB COc1ccccc1NC1=Nc2ccccc2N2C1=Nc1c(c(C)nn1-c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1 1861807 XXZMTSYDHDBEHT-LJAQVGFWSA-N 555.598 6.893 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 3769224 TYVFDUDRYRMWBX-YVNNLAQVSA-N 594.270 7.480 5 40 KKBB Cc1oc2c(cc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc32)c1C(=O)OC(C)C 8871914 QMPYKSAFXAYTIH-UHFFFAOYSA-N 502.932 5.822 5 40 KKBB Cc1ccc2nc(-c3ccccc3O)cc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c2c1 100397882 KWTDYHSLAOVNKC-UHFFFAOYSA-N 534.524 6.656 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 101249806 ZKUCCZHPJRVQSP-KEZOAJOQSA-N 533.462 5.012 5 40 KKBB Clc1ccc(-c2cc(-c3ccccc3)nc3ccc4c(ccc5nc(-c6ccccc6)cc(-c6ccc(Cl)cc6)c54)c23)cc1 101674931 XFFVYDOAGHPKRS-UHFFFAOYSA-N 603.552 11.911 5 40 KKBB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 103071011 IJJPWVAVAKUSNR-VNDWYCCKSA-N 537.787 5.692 5 40 KKBB CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 105306541 BFRKCCSGJFQJCH-UHFFFAOYSA-N 545.621 5.490 5 40 KKBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3)CC2)cc1 105354395 PITSCEQZFZKLGC-UHFFFAOYSA-N 551.024 5.686 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112241876 MZHBCCIEHXAQTH-UHFFFAOYSA-N 588.045 6.173 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 150396098 JKMIWLWRAPTBFL-DAIZXWHWSA-N 663.777 6.145 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 150435990 DLNMBHUMTGXSPD-NHDPSOOVSA-N 638.721 7.589 5 40 KKBB O=C1S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214902412 UNTJIHGLCVQIDI-ZMOGYAJESA-N 503.967 6.488 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224174632 QBFWCEHAYYSBGN-SSEXGKCCSA-N 636.771 5.282 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224373093 WSVQGPBFDKJLDM-VWLOTQADSA-N 538.442 5.066 5 40 KKBB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224780273 LZFXIOMGQZFGMV-IZZNHLLZSA-N 515.664 6.701 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225052751 WBMDLZMPUFRLMG-LJAQVGFWSA-N 685.243 6.325 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl 225139575 MRBQTAZMSXETRV-IZZNHLLZSA-N 561.067 6.206 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225228618 HVJJRMISQMULOW-LJAQVGFWSA-N 545.705 5.917 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225401936 TZMBVQGOLHRLSW-AREMUKBSSA-N 508.018 5.347 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 229989505 QZCMMIUCUBLAPD-CKPORNQBSA-N 576.008 6.230 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccncc1)[C@]21C(=O)Nc2ccccc21 248343096 ZMPULFICGYXEER-KCIBBDPESA-N 556.578 5.236 5 40 KKBB CC1=C(/C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1 254341014 OENHQHLEOONYIE-UYAPMSOKSA-N 536.888 12.606 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 260989064 NCARIIAPGCHOBP-GDLZYMKVSA-N 671.614 5.131 5 40 KKBB CC(C)(C)c1ccc(-c2c3ccc(Br)cc3c(-c3ccc(C(C)(C)C)cc3)c3ccc(Br)cc23)cc1 261508112 PVNXKVGTMVCYLK-UHFFFAOYSA-N 600.438 11.447 5 40 KKBB O=C(O)/C(=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408632000 CJTLVYFBPBAENF-BRPDVVIDSA-N 620.090 8.376 5 40 KKBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C(/Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)cc1 408634401 QSYWFONKCSNBKW-FYJGNVAPSA-N 525.011 6.711 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)O)n[nH]2)c1 408634663 WFXVOSKITXCWOB-JAIQZWGSSA-N 528.930 5.528 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(F)cc1 408650188 ZUAALIUTQXDBKU-UHFFFAOYSA-N 585.158 5.884 5 40 KKBB CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408672129 ZOXKDTLZELVDKG-CGHKXIPFSA-N 579.436 5.256 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 408824994 CDDFUJWOGWMYQC-SFKHYTNKSA-N 613.623 5.267 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c5ccccc5cc5ccccc45)c(=O)n32)cc1 408849717 YNFPVXKSAWQQKK-VILXJFMTSA-N 595.724 6.579 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1OCC 408910789 KWDUXHIMVVWABE-XNMXCUJWSA-N 679.751 5.846 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408941934 QYCLRWQROCFUCK-ITNPZBTBSA-N 769.614 5.686 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 408952471 WAQQWITXUZGKRE-PECNEJNESA-N 669.763 6.184 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(-c5ccccc5)n4C)cc3s2)c([N+](=O)[O-])c1 408990792 WKEABKHAFKZRHC-UHFFFAOYSA-N 621.726 5.470 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409092523 WSSBEVRURBMDBL-VEQPPNEOSA-N 738.613 5.464 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1 409097930 OXKFOHQNIACXRV-LPYMAVHISA-N 507.524 5.237 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409178472 JZLPHRTVQWFPAH-CVKSISIWSA-N 561.616 5.864 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409195177 RZRYLKNXSRLTJL-LPYMAVHISA-N 589.851 7.229 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409206199 WBIJMZKQJDUSBX-BHGWPJFGSA-N 568.007 5.819 5 40 KKBB COc1cc(C(=O)Nc2ccccc2Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 15304248 ZXXHIQKYPKMBIU-UHFFFAOYSA-N 511.250 6.429 5 40 KKBB COc1ccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 60061028 VNSQJHUCVYXCOE-PMERELPUSA-N 559.644 5.321 5 40 KKBB C[C@H]1C/C(=C/c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)c2nc3ccccc3c(C(=O)O)c2C1 96399880 PELPHZATCZHCCB-AJNNJPABSA-N 522.601 8.054 5 40 KKBB O=C(Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 97951106 LQTBGJNRQJUKSY-UHFFFAOYSA-N 538.387 6.936 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224462371 ZQZCHKONAWUPRR-WJOKGBTCSA-N 683.614 6.263 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224781337 BZIGLDIWNVVBRK-MHZLTWQESA-N 635.570 5.677 5 40 KKBB COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 224793291 WSVZFUFJKTVENX-LOYHVIPDSA-N 608.701 7.365 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260927236 NVKBSGSKQHSQTR-JOCHJYFZSA-N 736.085 6.389 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 408570692 LWTQGIQUYBWTPO-RUZDIDTESA-N 600.053 6.234 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 408576638 XXODZYKMEFBLSE-DEOSSOPVSA-N 528.993 6.066 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCCC1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408637841 BHABJXPWNHYUMG-UHFFFAOYSA-N 556.358 5.473 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408642258 MLWLIEQJMHZTSL-UHFFFAOYSA-N 905.959 9.280 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408763813 RADVAVKJMOWIRY-CTHKJOMYSA-N 672.115 5.774 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)S2)cc1 408781209 BIYSISGWFDDWRX-GOWBIRFASA-N 601.435 6.228 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408834475 VBQWRNQVUFRJDL-UQDCTOEPSA-N 695.535 5.199 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408990900 WZBYFUCDDMYDOL-RLFCKUQXSA-N 688.940 5.400 5 40 KKBB CCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3ccc(C)cc3)c(=O)c2c1C 409120486 VYYHJFCYXCEEGE-UHFFFAOYSA-N 505.543 6.705 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409132184 ZPFNUTFJFRTNJE-KOEQRZSOSA-N 504.564 5.852 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 409161607 NNGLLFDMVAIARK-HOGDLBODSA-N 693.763 5.131 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OCC)c3)C2=O)cc1 409166477 DQOONAGKBFONCI-AFUMVMLFSA-N 631.585 6.878 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1 409276940 YIBGYSPOCJLTEG-WGARJPEWSA-N 540.601 5.890 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409387956 ZCOLRJAASSLPFK-FOKLQQMPSA-N 617.430 5.951 5 40 KKBB Cn1c2ccccc2c(=S)c2cc(NC(=O)CCCCC(=O)Nc3ccc4c(c3)c(=S)c3ccccc3n4C)ccc21 5615578 ZPCLWFQGEAYZLM-UHFFFAOYSA-N 590.774 8.573 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OCc1ccccc1Cl 9035564 LGCCPZMQIBKTOC-JAIQZWGSSA-N 513.333 6.224 5 40 KKBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 15906542 FOJYMTBFVIMQLD-ZAEANXJYSA-N 518.476 6.218 5 40 KKBB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(Br)cc2)C3=O)cc1 20212842 HZYYBICYPRIYFG-HSZRJFAPSA-N 505.328 5.506 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 22838962 OZEAWIINLHPQIP-SDNWHVSQSA-N 514.611 5.506 5 40 KKBB COc1cc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)ccc1-c1cc2ccccc2oc1=O 57313720 JXNILHZEOHPUEK-UHFFFAOYSA-N 506.923 6.497 5 40 KKBB O=C1/C(=C\Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2C(=O)N1c1cc(Cl)ccc1N1CCOCC1 96022034 FRYYTOLXJYWVRU-HKWRFOASSA-N 539.375 5.378 5 40 KKBB CCc1sc(NC(=O)c2cc3c(ccc4ccccc43)o/c2=N\c2cccc(C)c2)nc1-c1ccc(Oc2ccccc2)cc1 97959249 IQVGEZXVZVACMP-XENYIEROSA-N 607.735 9.857 5 40 KKBB O=c1oc2ccc3ccccc3c2cc1-c1cnc(N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)s1 97965228 SQWUQFQPOISLGK-SHSCBADNSA-N 565.698 8.871 5 40 KKBB C[C@H]1C[C@@H](N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 100112875 LWLXBSZSSOASIX-XDBZFTIUSA-N 605.434 7.637 5 40 KKBB CCCCCn1/c(=N\C(=O)c2ccc(Cl)cc2Cl)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101138426 UXVXYEOYNNCIJN-QLTSDVKISA-N 541.435 5.372 5 40 KKBB Cc1oc(-c2ccccc2)nc1CN(Cc1nc(-c2ccccc2)oc1C)[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 102787219 VZWYOBMIHGPVQT-FQLXRVMXSA-N 554.603 5.618 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)o1 103791130 DBANEBZAVVIMSJ-ITNPZBTBSA-N 563.610 5.934 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1[N+](=O)[O-] 105314971 CIOPPNZFCHXRPP-UHFFFAOYSA-N 528.974 5.035 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 164512785 NQHDVTQYGBCMML-URFJJRPFSA-N 648.653 5.544 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 214093603 GVDITRGHHHSTFJ-FSJBWODESA-N 510.955 6.072 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224207335 LUEUIOVLHODYPS-HKBQPEDESA-N 649.169 5.610 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225313162 LAAUQUWJGKGGKR-SANMLTNESA-N 621.543 5.431 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225330357 XHGNHEUYVHCEAO-PMERELPUSA-N 622.744 5.055 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225357722 NYGMXDDGXBTCIB-PMERELPUSA-N 606.745 5.089 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2Cl)C1 260925511 UTKHQSYKDLFZIW-BOOGVAPPSA-N 587.149 7.093 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 408565012 AYNGYOLZPLKEOI-VWLOTQADSA-N 617.497 6.574 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 408568670 IFOHHJVSBSNDAV-RUZDIDTESA-N 569.481 6.344 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)cc1 408571400 OPWPBQQFGMQPCR-VWLOTQADSA-N 508.575 5.803 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc2ccccc2c1 408572074 QOJHPIGYXDGAML-PMERELPUSA-N 554.672 7.125 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408647841 VSWWVMDOKFBHSF-MQVPCNEGSA-N 576.005 5.702 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408848453 VBNRKRKSQOUMLN-YVBHXKDBSA-N 865.484 6.282 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409177118 AZUPCXNNCZPUHV-WYMPLXKRSA-N 601.559 6.706 5 40 KKBB COc1ccc(-c2s/c(=N\C(=O)c3cc([N+](=O)[O-])ccc3Cl)n(C)c2-c2ccc(OC)cc2)cc1 409204156 CKYVGYRKHHZXCS-RFBIWTDZSA-N 509.971 5.741 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409205722 SQSDCJCKXHXEAH-LSFURLLWSA-N 663.846 6.395 5 40 KKBB COc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1S(=O)(=O)N(C)Cc1ccccc1 2620700 HRGNAPZDWIOXSC-UHFFFAOYSA-N 543.597 5.133 5 40 KKBB O=C(NCc1ccco1)C1CCC(Cn2c(SCc3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)CC1 2974028 NCMWYRGEXVHBFO-UHFFFAOYSA-N 532.622 5.313 5 40 KKBB CCOc1cc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(Br)c1OCc1cccc(C)c1 8430480 DKQFAMJNDRGFIJ-SRZZPIQSSA-N 571.811 6.641 5 40 KKBB O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 100958431 QEFSHYHSPJJGHV-OIUASMPBSA-N 620.618 6.067 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc2ccccc2c1 102921442 UVAKEQKYGXTWRP-PJJLUWSFSA-N 520.589 5.225 5 40 KKBB O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)n[n+]2-c2ccc(-c3ccc(-[n+]4nc(-c5ccccc5)nn4-c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 150360049 ZUGCUBKOENXIHZ-UHFFFAOYSA-N 686.692 6.219 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 163221296 WXXDXJYGRASIDN-PIXWUVMMSA-N 664.534 5.057 5 40 KKBB O=c1/c(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163224227 MCPATJVLXSWISP-SAGCDJCOSA-N 650.554 6.568 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224328842 PZMYNQALAQLPRU-WJOKGBTCSA-N 663.196 5.998 5 40 KKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1 224647620 PRPJKKLHSRCPSE-WDYNHAJCSA-N 533.613 6.750 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(F)c(Cl)c3)cc2)cc1 224766381 BLVWHXFJNVJPJI-URLMMPGGSA-N 602.116 7.901 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225417308 WKTQBVOVJSZYCH-LJAQVGFWSA-N 624.601 6.680 5 40 KKBB Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)N2C=Cc4ccccc4[C@@H]32)c1 247879420 QJTICNCAZQDWIA-ROXDYWFKSA-N 542.979 5.019 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3C[C@H](C)C[C@@H](C)C3)c(Cl)c2)o1 260914797 HHDGKRXRCXNLAO-INJFYGITSA-N 618.159 7.571 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260929824 HJXCHVDWVUFGCS-IDISGSTGSA-N 601.125 5.166 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 408567156 GQBSSCNXPZUEJJ-AREMUKBSSA-N 555.056 6.326 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c1)[C@@H]1CCCN12 408569370 WAMXTKBVJLBQHR-TUPPOGIXSA-N 558.849 6.280 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc2ccccc12 408574558 VFAFFIZQXSZRLI-HHHXNRCGSA-N 639.959 7.843 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1cccc([N+](=O)[O-])c1 408650040 ZBMMGWVIHPSHDM-UHFFFAOYSA-N 601.613 6.398 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408684514 NQCKSVOKUAMUAO-UHFFFAOYSA-N 608.048 7.369 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408735272 PHOIBBAQHJJVKT-USDTVRPUSA-N 617.680 5.072 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408755031 BDDHQKFOGKNVJW-LAUBZIAYSA-N 531.593 5.487 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)S2)cc1 408772187 CBYDNAMMYWZNLU-FNUHDPNESA-N 500.374 5.779 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1 408804774 BIAQRLYPKHLHPS-JBVGNYNVSA-N 658.711 5.986 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408876114 MZWQZNBBGKSHBW-KSEXSDGBSA-N 616.421 5.759 5 40 KKBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12)OCc1ccccc1 409002667 PARUBKOPSAWAKQ-VWLOTQADSA-N 509.518 5.970 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409030692 FGGAZFGUXWHZQY-DDIUQFJASA-N 643.718 5.081 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409040843 IKIPHCOBCRORSS-XSTKMXAKSA-N 740.604 5.983 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)ccc1Cl 409157580 JLCUKCODKVXKQA-OPEKNORGSA-N 704.939 6.450 5 40 KKBB COc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409180968 ZXJSDFDMOQAXPL-HHHXNRCGSA-N 510.502 5.637 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(C(c2c(-c3ccc(C)cc3)n[nH]c2O)c2c(-c3ccc(C)cc3)n[nH]c2O)o1 409372667 PBLUDUZMUAEQGR-UHFFFAOYSA-N 577.597 6.852 5 40 KKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)c(C)nc32)cc1Cl 2254281 GBENJLIESQFEBS-UHFFFAOYSA-N 500.389 6.256 5 40 KKBB CCC[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCC(CCC2CC[N+](CCC)(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 4683897 AWNONTWFBVUGKL-UHFFFAOYSA-N 552.760 7.257 5 40 KKBB O=[N+]([O-])c1cc2c3c(c1)C(c1ccccc1)(c1ccccc1)CCN3CCC2(c1ccccc1)c1ccccc1 8442830 DIIXPWFXOGZSBF-UHFFFAOYSA-N 522.648 7.877 5 40 KKBB O=C(c1sccc1Oc1ccc(F)cc1[N+](=O)[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 20219090 ZBDMLRCELDSKSX-UHFFFAOYSA-N 517.582 6.135 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1Br 32115498 NDZZGNVLYSEYQY-UHFFFAOYSA-N 508.662 6.349 5 40 KKBB CC(=O)c1sc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C 96401731 VQHGVWZSTQADDM-DLFBKXLMSA-N 517.567 6.272 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3cccc(OC(F)F)c3)CCC[C@@H]2[C@H]1c1cccc(OC(F)F)c1 97971245 YQFWNGPHKLGWOP-XUNZLQEVSA-N 654.617 7.071 5 40 KKBB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(Oc3ccccc3)c1)CC2)Nc1cc([N+](=O)[O-])ccc1Cl 97979832 JXAJXBRFCOQPRV-XLNRJJMWSA-N 606.034 7.871 5 40 KKBB O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 97995381 AXAJNPVHJRIIRB-ULWXPFJOSA-N 538.644 6.147 5 40 KKBB O=C1OC(c2ccc(NC(=O)c3cncc(Br)c3)cc2)=N/C1=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl 100948020 DGUSMQYGBMMTFP-FXBPXSCXSA-N 562.163 5.656 5 40 KKBB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5Cl)cc4)cc3)C(=O)[C@@H]21 101459501 QGAMWNKSVGNEGX-TZGRGIEFSA-N 558.974 6.099 5 40 KKBB CCOc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 101671145 GRKVKYDAHGSZLD-OBDYRVMHSA-N 604.413 5.666 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=C(O)C1 102453436 HLSYQYZNTNQQBK-DEOSSOPVSA-N 525.483 7.210 5 40 KKBB O=C1[C@H]2[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)cc1 102747798 HYBUQLUCDVUQJM-ISJGIBHGSA-N 515.909 5.559 5 40 KKBB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5ccc6c(c5)oc(=O)c5ccccc56)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 102805287 HCSFRBRVRMVEBY-BRWSWZETSA-N 652.916 10.668 5 40 KKBB C[C@H]1C[C@@H](N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O 105513391 BPQHEHRVKPLBQY-SMSORMJASA-N 588.620 5.333 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 150386001 FAJOAQGMVNXDKX-SRZZPIQSSA-N 622.266 7.074 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1C[C@H](C)O[C@H](C)C1)N(C)C(c1ccccc1F)=N2 150430567 QRHXIVUKFZQGFG-FQTXIKMNSA-N 666.492 7.112 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222719677 NKEFPIPRIUXJCG-PMERELPUSA-N 734.058 6.453 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224554787 AGDVMWODSYSXTA-SANMLTNESA-N 588.557 6.690 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224673178 SQZBKTKILMTQIQ-MHZLTWQESA-N 601.125 5.023 5 40 KKBB O=C(O)c1ccc(Cl)c(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 224789459 HOHSOCFBDDWAGN-URLMMPGGSA-N 629.119 7.930 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225294283 IDBOOCGKZCEMPZ-MGBGTMOVSA-N 642.778 5.655 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1cccnc1)[C@]21C(=O)Nc2ccccc21 248328233 BGAHJQLDWMQREK-KCIBBDPESA-N 556.578 5.236 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260792728 MLEXGYADPMEIDK-HSZRJFAPSA-N 657.189 5.627 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 260891826 RHFNMTVGYOXUIN-JGCGQSQUSA-N 628.751 5.263 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)c(Cl)c1)[C@@H]1CCCN12 408565400 KHPWUVNCUSGBDS-TUPPOGIXSA-N 507.949 5.113 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1ccc(Cl)cc1 408569898 KFBJXYCZXZPGQF-HSZRJFAPSA-N 559.873 6.681 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 408573018 SEZBGVQDCCQBHI-AREMUKBSSA-N 631.980 7.696 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408646256 AQDSWSHVKBCZLB-GNBTXOOPSA-N 594.451 5.160 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729167 AYKCECHLYAMNRH-MHZLTWQESA-N 531.565 5.681 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408732910 ARFCAQMXNZIWBB-ZYDFGXJWSA-N 831.810 5.838 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408992077 ZLUJCYVISFLPNH-LRUGRNCASA-N 646.508 6.411 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036545 RPLBMIVOVNPTPV-PNUVFATHSA-N 857.676 5.239 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409102404 ZIZBPDWAQPKDBC-SVXDAGRPSA-N 622.703 5.434 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1CCCc1ccccc1 409138638 FVQWEKUGODGHAZ-HZHRSRAPSA-N 543.428 7.150 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409157527 MWPDPKTWTAJVTI-WYMPLXKRSA-N 610.626 6.091 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1 409164342 HFWAJUYWUHXCRA-RGVLZGJSSA-N 513.915 5.192 5 40 KKBB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 409173385 LQFRKVPOQXDTII-UHFFFAOYSA-N 521.529 6.605 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1Cl 409181351 BDPXLOOKRVKWDE-FSJBWODESA-N 537.981 5.811 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OCC)c3)C2=O)ccc1Cl 409205943 RPUDPWSXBBXLNO-QFEZKATASA-N 655.085 6.466 5 40 KKBB CCOc1cc(C(c2c(-c3ccc(C)cc3)n[nH]c2O)c2c(-c3ccc(C)cc3)n[nH]c2O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409368833 OWHJJEGDFKYWME-UHFFFAOYSA-N 757.585 8.166 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1SCc1ccccc1Cl 12541678 QCRNLFUEOGKWIM-UHFFFAOYSA-N 513.822 6.104 5 40 KKBB O=C(NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14274408 UEHVNDXJEXZFBJ-UHFFFAOYSA-N 512.975 5.004 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(F)cc1 16688515 LDVRWRKXIMMYNU-UHFFFAOYSA-N 508.377 6.220 5 40 KKBB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 21005658 QEGPNGOYJNQYRL-XMMPIXPASA-N 504.930 5.596 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)c(C)c1 59331876 LNAFDWUPHLKKAO-XYOKQWHBSA-N 519.005 6.097 5 40 KKBB CCOc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@H]3c2ccc(OCC)cc2)cc1 97983835 ZELOBQMLMCXUFI-COGNAXJHSA-N 610.711 6.666 5 40 KKBB Cc1cc(-c2ccccc2)c2cc(S(=O)(=O)O)c3c(-c4ccccc4)c(S(=O)(=O)O)c(C)nc3c2n1 100031859 LVILAKIYEWKZDC-UHFFFAOYSA-N 520.588 5.227 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 100317574 LPQFIQLSMOGDID-QGZVFWFLSA-N 540.601 7.303 5 40 KKBB O=C(c1ccccc1Br)N1CCN(c2ccc([N+](=O)[O-])c(NC3C4CC5CC(C4)CC3C5)c2)CC1 100326467 RMKPFSKOTHXHRA-UHFFFAOYSA-N 539.474 5.556 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 103789863 NCBGAWXBKJXNDQ-IMUCPKNRSA-N 627.719 5.418 5 40 KKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 105303565 DXDNGVKQWYDIKK-ZZXKWVIFSA-N 565.866 6.052 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C 197764177 KWANZYOCEDMWIM-DEOSSOPVSA-N 593.735 5.804 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222531444 MVIMKFJUUCNDFK-UMSFTDKQSA-N 721.276 6.481 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222581188 PNCRHHVRXDVZMX-RUZDIDTESA-N 665.596 5.746 5 40 KKBB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1-c1cccnc1 224767995 GVPSKWCRTABNGG-VMPREFPWSA-N 564.696 6.812 5 40 KKBB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccccc1 224770963 YZUDOSIOABDPBN-AJQTZOPKSA-N 591.762 7.785 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)o2)cc1 225384104 IHUWKCMEINVIBP-IZLXSDGUSA-N 526.618 6.748 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261105381 XBYPZGLOCCNTEM-SFTDATJTSA-N 710.047 5.855 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1cccc(F)c1 408566379 FNKUHYRQGXDRIQ-AREMUKBSSA-N 522.602 6.111 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408568321 SYSBFXPQFBKFLD-PXIGIZQUSA-N 549.627 5.872 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)cc1 408570569 LJSVMDWUFJGCGP-XMMPIXPASA-N 539.455 6.336 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408637576 AKUKHMMFKQYJGF-LROUJFHJSA-N 604.015 5.129 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408647413 VKKUSDDKYFVESU-ZBWOKKAISA-N 686.546 5.935 5 40 KKBB Cc1ccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 408655805 LRALDVDDTJNFJB-FZNVTIIDSA-N 592.479 5.995 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2C(=O)c2ccccc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408656495 SRYKRRSRVTXZCC-QHCPKHFHSA-N 627.005 5.477 5 40 KKBB O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408669918 XLIWSULZDVCMSC-QXUFZFKLSA-N 599.426 6.049 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729854 KALNCEAVCGIKNH-IZBTWGKQSA-N 797.365 5.184 5 40 KKBB Cc1cccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1 408756123 HQAPKRHNTBYMPY-UHFFFAOYSA-N 502.324 6.363 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1Cl 408834260 VOHMOJNPYUBSKJ-IYVASWNSSA-N 745.979 5.552 5 40 KKBB FC(F)(F)c1cccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)c1 408975846 ODGSYJWXGVNXDH-UHFFFAOYSA-N 500.509 6.707 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409041397 VONILDYXQVGBLN-GWRYVSOYSA-N 757.059 6.497 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409106620 OHLGLJCWSQSGHV-DTDQMKFYSA-N 636.730 5.742 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409175746 BRMGSVYNQZYBCW-RBMXVJLZSA-N 747.451 6.672 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 44802993 GTTUJTGXDBFTKK-UHFFFAOYSA-N 517.991 5.016 5 40 KKBB O=C(COc1ccc2ccccc2c1)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 97983841 XXUYTCZNLKJVAE-SOEMSRAPSA-N 562.582 6.858 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2nn(CC)cc2[N+](=O)[O-])[C@@H]3c2ccc(OCC)cc2)cc1 103639155 JIZBZIOCNVYPER-YVUQKUSESA-N 543.624 6.045 5 40 KKBB CCc1ccc2c(-c3ccccc3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c(-c3ccccc3)c2c1 104219544 BUSOQIYRKGTUSB-UHFFFAOYSA-N 560.740 12.377 5 40 KKBB COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC[C@H]2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 105052129 MLHOGHVYSQDBBU-MRXNPFEDSA-N 597.512 8.064 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1 163751937 BVHXDHKSHYDBMR-ZGOFBEGVSA-N 634.508 5.048 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222913897 XJIGJYJEMMEIKZ-MHZLTWQESA-N 588.557 6.547 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223021791 VTQJUBGRYORSSP-QHCPKHFHSA-N 645.178 5.403 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223555703 WDOBALXWBHEUBN-PMERELPUSA-N 679.593 5.329 5 40 KKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1 224507153 VUAJIIRKHUROQR-XZOQPEGZSA-N 520.412 5.720 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224781456 NQSXVDXVQCUBFO-MHZLTWQESA-N 635.570 5.677 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225224282 JSOPCSNWZVGJSZ-GDLZYMKVSA-N 661.608 6.353 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12 225711007 LWQITVYVXADVHD-KYJUHHDHSA-N 562.655 5.935 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229646576 AWALKTLCXQTGLT-NIKYWZLZSA-N 571.589 5.585 5 40 KKBB COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 260970572 IUZSIYVXTIHSGD-JGCGQSQUSA-N 658.777 5.354 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1Cl 408557476 NUSYJKPDHGBKDY-UHFFFAOYSA-N 559.187 6.706 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408565175 INJIZEBSMJNLEB-KLPDMWAPSA-N 596.453 5.620 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408569703 XBHZZJDLEQBYCL-ZNCVFPSASA-N 572.843 5.212 5 40 KKBB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)cc2)c1 408654927 RALFNDZOVMFUHT-MFUHDEKWSA-N 707.695 5.955 5 40 KKBB Cc1ccc2c(Cl)c(C(=O)Nc3cccc(C(=O)Nc4nnc(-c5ccc([N+](=O)[O-])cc5)s4)c3)sc2c1 408710457 HEIKOEXJSGPYFO-UHFFFAOYSA-N 550.021 6.794 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1)c1ccc(-c2ccccc2)cc1 408750461 NHTTUTWBKJXFJF-UHFFFAOYSA-N 551.605 6.647 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)c1cccc(C)c1 408842053 IEDPDWGQMFIARL-UDWIEESQSA-N 562.987 6.734 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(-c5ccccc5)n4Cc4ccccc4)cc3s2)c([N+](=O)[O-])c1 408990395 VKNRWHJIFRGGQL-UHFFFAOYSA-N 697.824 6.982 5 40 KKBB Cc1sc2nc(-c3ccc(Sc4nc5ccc(N6C(=O)[C@H]7CCCC[C@@H]7C6=O)cc5s4)c([N+](=O)[O-])c3)nc(O)c2c1C 408993537 VZTKFMCNZFYANU-ROUUACIJSA-N 617.734 7.029 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 408998460 UNNOQVGLELWZEK-QZVQSRICSA-N 726.605 6.194 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409035382 JRQBZWHHMSXOKK-QQMBNGEASA-N 643.718 5.081 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 409078510 ICBXBADZIJBFCQ-XNMXCUJWSA-N 662.724 5.378 5 40 KKBB COc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409081144 JVPATCPEMSCILL-NDENLUEZSA-N 546.443 5.335 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409090560 RFBYADJSJJLAQW-NNAGEYCMSA-N 617.127 5.244 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409102033 ZQEZJAHAZPMQJX-IMUCPKNRSA-N 658.802 5.489 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409106619 OHLGLJCWSQSGHV-DFXMODJXSA-N 636.730 5.742 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccccc5)C(=O)[C@@H]34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409147860 ZPNDYJBQQRUQDB-ROLILNELSA-N 736.806 5.218 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc2c(c1)OCO2 409174855 PKEBHZSQYGKIAS-GZIVZEMBSA-N 666.384 6.572 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(-c2nc(O)c3c4c(sc3n2)CCCC4)cc1Br 409254157 CWFQXBOHBCGNPJ-UHFFFAOYSA-N 566.355 7.425 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409255420 KGBGXTARVJPORO-JJFYIABZSA-N 676.401 5.584 5 40 KKBB O=C(OC[C@@H]1[C@H](COC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1(Cl)Cl)c1cc([N+](=O)[O-])ccc1Cl 1751540 FICJIEWNSLPRSI-OKILXGFUSA-N 538.123 5.244 5 40 KKBB O=C1OC(c2ccc(I)cc2)=N/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 3011739 DTPLHARESSNZNN-WOJGMQOQSA-N 557.256 5.244 5 40 KKBB Cc1ccc(C(=O)n2c(Nc3ccc(F)cc3)c(Sc3ccccc3[N+](=O)[O-])c3ccccc3c2=O)cc1 3207392 CEZCYICHFNCAEA-UHFFFAOYSA-N 525.561 6.941 5 40 KKBB CC(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4C5CC6CC(C5)CC4C6)c3)CC2)cc1 9046225 AUDBWWMVTRWXQS-UHFFFAOYSA-N 502.659 5.917 5 40 KKBB Cc1ccccc1C(=O)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 97997825 OKRXUOHPZJFHCN-MUUNZHRXSA-N 607.464 7.166 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 100549454 NPAORZXSLKMKDM-KTYQWQPMSA-N 572.847 6.329 5 40 KKBB Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)c2ccc(Cl)cc2)n1 103053981 IDEHVSDRSVTTQW-UHFFFAOYSA-N 580.066 5.225 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105393770 SAANFKYQSQAOJG-CXUHLZMHSA-N 539.636 5.199 5 40 KKBB CC(=O)Oc1c(I)cc2c(-c3cc(Cl)c(Cl)c(Cl)c3Cl)c3cc(I)c(=O)c(I)c-3oc2c1I 150354138 CISJVTJQQUSSCI-UHFFFAOYSA-N 971.703 9.522 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 150396276 ISYHVODAALJANU-QZVQSRICSA-N 649.725 6.236 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCc3cc(F)cc4c3O[C@@H](c3ccccc3)OC4)cc2[N+](=O)[O-])C1 195529882 FYYVHDDLHRDNTP-IGKOOGGESA-N 520.557 6.181 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl 215147104 JLRWFWSDSVFXBJ-UFFVCSGVSA-N 529.889 6.324 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222483276 KPOSGIDQFWHNRC-AREMUKBSSA-N 645.178 5.401 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223021745 VTQJUBGRYORSSP-HSZRJFAPSA-N 645.178 5.403 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223432054 WHJBRILSKCHHKU-FIPFOOKPSA-N 533.694 5.691 5 40 KKBB CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224393796 AYCAXUVSKRLZKU-FQEVSTJZSA-N 621.543 5.286 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccc(C(F)(F)F)c3)cc2)cc1 224781485 VDIMWWNZWHYOPU-URLMMPGGSA-N 617.678 8.128 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 225029546 AJTFBOLJEBRHNR-MHZLTWQESA-N 610.505 5.444 5 40 KKBB O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247349236 VOJWIUIYLOAAIG-GYPIRZFJSA-N 610.453 6.883 5 40 KKBB COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 260994622 OJGZHAVHESXEQM-UUWRZZSWSA-N 670.788 5.498 5 40 KKBB COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1 408529591 MRNAMGDZMKLMNZ-UMSFTDKQSA-N 634.714 7.078 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Cl)c1OCc1cccc(F)c1 408566789 GDLWEXOVKWTWOJ-RUZDIDTESA-N 573.046 6.465 5 40 KKBB COc1cc(CNc2ccc(Br)cc2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408610191 OETDJFCDLQCXRQ-UHFFFAOYSA-N 545.739 7.751 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408637543 AHDHJGDLEBVERJ-UHFFFAOYSA-N 933.969 8.707 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccccc1 408678802 DDJSYJZASNBQDY-QKCPIRFBSA-N 652.101 5.282 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408686230 QZZHDVNCPHVJNL-FZDFQQAASA-N 547.542 5.184 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408736050 CDMYYDZHEOUIQX-ISZRBDKASA-N 641.746 5.808 5 40 KKBB O=C1c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(O)cc1 408756120 HNTWYWMAMCCQLD-UHFFFAOYSA-N 504.296 5.760 5 40 KKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccc(Br)cc1 408822822 MKCNUPPGJCRTPR-UHFFFAOYSA-N 514.788 7.054 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408830003 LCJGZVDZGZICRZ-LRUGRNCASA-N 630.053 5.896 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408852091 IBFOECBUPZNHQS-SZYVSPPHSA-N 771.484 6.598 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408990902 WZBYFUCDDMYDOL-XQAWFANUSA-N 688.940 5.400 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccc(Cl)c(Cl)c2)cc1 409004675 PUNVTLSMNVKULB-UHFFFAOYSA-N 508.383 5.040 5 40 KKBB O=C(O)COc1ccccc1[C@H]1N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N1Cc1ccccc1 409118396 QAGJSORAWSZEDI-GDLZYMKVSA-N 523.545 5.420 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409163874 YYJLAKAEYDHOJR-SSDVNMTOSA-N 652.401 6.852 5 40 KKBB Cc1c(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 409263057 GSJHBIYCZHACSF-UHFFFAOYSA-N 527.908 5.409 5 40 KKBB S=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 409331331 BADAUICRKBCYHB-UHFFFAOYSA-N 517.618 5.525 5 40 KKBB CO[C@@H]1[C](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 1560411764 XIWJISMBFFZEAR-DPPICBEFSA-N 569.641 6.070 5 40 KKBB O=C(C[C@@H](c1ccccc1)[C@@H](C(=O)c1ccccc1)[C@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1 100053312 QFFRUDKBZNZJIJ-KGJXQKDRSA-N 554.646 8.304 5 40 KKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 105303899 IETWPQNGWHSWQJ-ZZXKWVIFSA-N 565.866 6.052 5 40 KKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 112244899 GHRIATGCJFUKAT-UHFFFAOYSA-N 576.458 6.199 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(Br)cc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 163214782 BDBIIRFRFYFVBG-OBDCIHEFSA-N 640.515 6.258 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 164512547 NHLWAVNHFZCSEX-KUSDHMTMSA-N 648.653 5.544 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223157635 WVDCODQFKSCMOM-VWLOTQADSA-N 645.178 5.483 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223791140 YSOAHIYFRFLSPF-INJOXJOKSA-N 786.145 7.078 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223803434 VNYCOJXXTIDEKW-RXFWQSSRSA-N 598.494 5.300 5 40 KKBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224444878 ASPIGTCLNFXRKG-RUZDIDTESA-N 607.516 5.040 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224552208 FDIMRONPBYJRCW-XIFFEERXSA-N 727.667 6.580 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224851913 IHBROGLWKZVHAD-MHZLTWQESA-N 635.570 5.677 5 40 KKBB CCOc1cc(CNc2ccc(Br)c(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408556070 HLUSNWYRXVFROA-UHFFFAOYSA-N 522.739 6.722 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408564429 CUAYVHXHPPZODH-HTZSSYRZSA-N 568.457 6.026 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)[C@H]1CCCN12 408568135 SCBHTRMFYAZXOZ-AWTIUKJOSA-N 603.300 6.389 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc(F)c1 408570284 KTHVXEJDNVBWTN-RUZDIDTESA-N 508.575 5.803 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1C 408573086 SLJWFCWIWWIRJB-RUZDIDTESA-N 577.921 7.842 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 408576582 XTDULDFCOGMCKC-DEOSSOPVSA-N 584.452 6.244 5 40 KKBB Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@H]5C6c7ccccc7C(c7ccccc76)[C@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] 408674051 YFXJTVOJLGQZAY-OQRRONEISA-N 613.626 5.258 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408685976 QSNCIOQSGMXRFX-UHFFFAOYSA-N 785.852 7.805 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733960 TVHUVTGVSRCVSH-OKMHPQNISA-N 793.490 7.379 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC 408937436 GOKRTXUYEQPCHM-UONGPDOGSA-N 773.456 5.828 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)ccc1Cl 409155924 JHTVHQZHUNXTPX-LSHDLFTRSA-N 635.960 6.521 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)cc1 409177201 DHJNCOGODNOJIQ-UHFFFAOYSA-N 573.355 6.307 5 40 KKBB O=C1S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C(=O)N1c1ccc(Cl)cc1 409188697 KAVJICMBHGVPGO-MFKUBSTISA-N 516.962 7.221 5 40 KKBB COc1ccc(-c2s/c(=N\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n(C)c2-c2ccc(OC)cc2)cc1 409197504 HFWKUWIGYPQTIB-RFBIWTDZSA-N 509.971 5.741 5 40 KKBB O=C(Nc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(-c2nc3ccccc3s2)c1)c1cccc([N+](=O)[O-])c1 2060692 FGGAFSNWAKIJLI-UHFFFAOYSA-N 540.513 6.251 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2245818 OLECGRRKLDPWAF-UHFFFAOYSA-N 500.389 6.006 5 40 KKBB O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc(-c4ccc(Br)cc4)n3C3CCCCC3)o2)cc1 3326343 SZYKHSGKEAIKCJ-UHFFFAOYSA-N 541.431 6.463 5 40 KKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cc([N+](=O)[O-])ccc4Cl)o2)N3)C1 8920366 LZYGAOYWDMSBJF-MCMMXHMISA-N 500.020 7.540 5 40 KKBB Cc1ccc(NC(=O)CSc2ncnc3c2sc2nc4cc(C)ccc4cc23)c(Br)c1 13084385 FNPRZXCKEQFVSA-UHFFFAOYSA-N 509.454 6.503 5 40 KKBB Cc1ccc(C)c(Sc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nc(C)cs3)cc2)c1 13145609 FBTGGNHMWRJZBJ-UHFFFAOYSA-N 507.662 7.531 5 40 KKBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1N1CCCCC1 15218606 PRVMHSIZXYESER-UHFFFAOYSA-N 507.456 6.354 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 22833452 UDQIUAPMDINNRM-AWEZNQCLSA-N 508.987 6.697 5 40 KKBB Cc1nn(-c2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=N2)C(O)=Nc2ccccc21 96022082 BRAWBYXCSATLIO-WJOKGBTCSA-N 667.147 7.940 5 40 KKBB CCOc1cc(C(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)cc(OCC)c1OCC 100824140 BCKRTQMWCHDETR-UHFFFAOYSA-N 595.630 5.337 5 40 KKBB COc1cc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 101307957 BFYLNSOVVALLTC-UHFFFAOYSA-N 558.620 5.724 5 40 KKBB Cc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 103053650 YHEHOSUVPZQAAZ-UHFFFAOYSA-N 541.935 5.718 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 103549372 HKAUMPZMOFDTTB-IEMSDXTESA-N 585.616 5.850 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 108282534 CXTCJZZVJSGEGO-MIUGUJGPSA-N 617.680 5.071 5 40 KKBB Cc1nn(-c2ccccc2)c(O)c1C(c1c(C)nn(-c2ccccc2)c1O)[C@H]1C=CC(OC(=O)c2cccc([N+](=O)[O-])c2)=CC1 136989341 DKGAPIJDYZGECA-QHCPKHFHSA-N 603.635 6.443 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(I)cc4)C3=O)o2)cc([N+](=O)[O-])c1C 205771571 GJAFRECUDBEYIK-SRZZPIQSSA-N 560.369 6.313 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223609001 UPLWZZVITXUMJT-ZOYWYXQUSA-N 663.196 5.998 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(F)cc3)cc2)cc1 224782048 RWCKUJNFUJVZBO-WDYNHAJCSA-N 567.671 7.248 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 253575185 UHGQCXBJESHKCT-QKENHZOPSA-N 506.558 5.701 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408576593 XTLPRAAWBIIZFP-XMMPIXPASA-N 563.438 6.719 5 40 KKBB O=C(Oc1cccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408661881 MDBJYNIFTGWWTP-LLVKDONJSA-N 609.205 5.968 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)c(C)c2)CC1=O 408668813 RDAMCOPADCZGSA-GFCCVEGCSA-N 653.258 6.285 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733616 MIOSZLKWBWMPAJ-UPWSPCOFSA-N 661.048 5.788 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(C)cc1 408836111 YXHXFHVCJYYJEZ-SOOGQRQDSA-N 680.786 7.140 5 40 KKBB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408842884 KGNWKUXIRDJLEX-VXLYETTFSA-N 562.159 6.228 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 408982386 DKZDWRCCSYWOPW-FABFSAKGSA-N 822.475 6.790 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 408988240 RQNGOMKWJKGDHF-RLFCKUQXSA-N 688.940 5.400 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408996233 LRPWCGFFFALVHE-PEPUGYCWSA-N 805.501 6.956 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(Cl)cc5[N+](=O)[O-])C(=O)[C@H]34)c(=O)n2[C@@H]1c1cccc2ccccc12 409033326 DZYUJLNKBQYMOR-AOPCMUPUSA-N 807.284 6.716 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409094389 DYNARRJPWHZXLB-UFFVCSGVSA-N 556.344 5.177 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409102406 ZIZBPDWAQPKDBC-URFJJRPFSA-N 622.703 5.434 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc2c(c1)OCO2 409154246 NFCDMUADXMADPI-RMORIDSASA-N 612.414 5.340 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1 409164103 CKRZIYCZRKQPLY-DFXMODJXSA-N 635.698 5.729 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1 409173476 IPDKCHJJKSSJBE-IBGZPJMESA-N 537.429 5.186 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409266812 YPGSYQIXBWHJAS-AWQFTUOYSA-N 604.475 5.396 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 409270584 HLFFLMWMZFFCHU-RGVLZGJSSA-N 513.915 5.192 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)o1 409386637 QVCQFTFWNZNFRB-KEBDBYFISA-N 563.371 6.097 5 40 KKBB CCCCCn1c2nc3cc(OCCC)c(OCCC)cc3nc2c2cc(Br)cc(Br)c21 1883288 QBUKTUVSCXEOJW-UHFFFAOYSA-N 563.334 8.031 5 40 KKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)c(C)c1 2411695 AQIAICXPKALPSO-UHFFFAOYSA-N 504.432 6.243 5 40 KKBB CC(C)(c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 3142736 GFYWWXLLDMMHEM-UHFFFAOYSA-N 576.521 5.430 5 40 KKBB Cc1c(C(=O)Oc2ccc3c(=O)c(Oc4ccc(F)cc4)c(C(F)(F)F)oc3c2)cccc1[N+](=O)[O-] 3359483 PKDDWOHKKBEMKO-UHFFFAOYSA-N 503.360 6.179 5 40 KKBB Cc1csc(Sc2ccc(C(=O)OCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2[N+](=O)[O-])n1 3361897 LKAOIAQIPGFUMT-UHFFFAOYSA-N 532.814 6.267 5 40 KKBB O=C(Nc1ccc2nc(SCc3ccc(Br)cc3)sc2c1)c1ccccc1[N+](=O)[O-] 3667475 CDYGBCJYZCUHMN-UHFFFAOYSA-N 500.399 6.512 5 40 KKBB C[C@@H]1CC[C@]2(OC1)O[C@@H]1[C@@H](CC[C@@H]3[C@@H]1C=C[C@H]1C[C@@H](OC(=O)c4ccc([N+](=O)[O-])cc4)CC[C@@]13C)[C@H]2C 8738830 ULNDHEVVJSRKCY-ZGFMHCKQSA-N 509.643 6.317 5 40 KKBB CCOC(=O)C1=C(NC(=O)c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)S[C@@H]2CCCC[C@H]12 16682575 YXEFIVSGCPRGED-FXAWDEMLSA-N 502.976 5.851 5 40 KKBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 59331627 GTFLMSMQJUWGGO-UHFFFAOYSA-N 516.514 5.163 5 40 KKBB Cc1c(C(=O)O[C@H](c2ccccc2)C2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cccc1[N+](=O)[O-] 62566753 ZDMXGCQDFQVWPQ-AREMUKBSSA-N 517.538 5.570 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N=[P@@]1(N2CCCCC2)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1c1ccccc1 97983275 LZKDXWQBJLNERI-NBKUMDEKSA-N 570.634 7.897 5 40 KKBB CCn1c2ccccc2c2cc([P@](=Nc3ccc([N+](=O)[O-])cc3)(Oc3ccc(Br)cc3)C(C)(C)C)ccc21 97984383 DQOBAMBZLKXWNG-LHEWISCISA-N 590.458 9.436 5 40 KKBB C[C@@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc4oc5ccccc5c4c3)CC2)ccc1[N+](=O)[O-])c1ccccc1 98043328 MBEXQGHGNGMBSR-OAQYLSRUSA-N 556.644 6.178 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 112242875 DXWJXJLNJKLLRR-GOSISDBHSA-N 559.648 5.880 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 150391638 ITARSTVKCLSOPA-XNENXQGPSA-N 647.709 5.431 5 40 KKBB O=C(Oc1ccc(OC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c(-c2ccccc2)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 150409207 SOTRXGOGZAEONH-UHFFFAOYSA-N 668.614 9.193 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222771676 OEOGWJLDEMFIRD-XIFFEERXSA-N 725.239 6.312 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223431949 WHJBRILSKCHHKU-NEKDWFFYSA-N 533.694 5.691 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1Br 224938356 JOMZEDIRYWUOBJ-RPWUZVMVSA-N 534.439 6.029 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Br 224940533 GXMVBUMRFXOGSZ-ZEQRLZLVSA-N 535.423 6.498 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225505883 SIVDNQWZQWBIDZ-FUFSCUOVSA-N 624.760 5.138 5 40 KKBB CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccccc2[N+](=O)[O-])N3Cc2ccccc2)cc1 408529699 NWJXKRHYULDHAE-DHUJRADRSA-N 648.741 7.469 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408686580 RZYHYEUMABJDLD-UHFFFAOYSA-N 539.158 6.062 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408687295 UCKSZSWFIDQUCV-SNINSWTHSA-N 692.981 6.906 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 408728602 PPYNIKKPGHEKNP-JUJAOGAQSA-N 584.220 5.013 5 40 KKBB O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(SCc3ccc(Cl)c(Cl)c3)sc2c1 408750592 PDVHCKGJFZHSLZ-UHFFFAOYSA-N 534.402 6.754 5 40 KKBB Cc1ccc(COc2c(I)cc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2I)cc1 408918694 NVOZZEAVTXHVTI-WSDLNYQXSA-N 712.303 6.928 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cccc(OC)c1 408989550 ICLWINWOUMHSRP-OTHIGLTOSA-N 677.735 5.440 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409064410 CTDXTYIGNPRJPN-AWQFTUOYSA-N 558.772 5.696 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409083890 OUJVUGRMGPEPLU-PLMBTIQCSA-N 687.572 5.481 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)cc1 409085744 DAMLOXUDKWJZAT-UDHMSBBDSA-N 662.724 5.378 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CCCc1ccccc1 409135679 QVRCBZISORIPPK-LFVJCYFKSA-N 553.434 6.605 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 409182158 IMNRXMDKUFQRGN-UHFFFAOYSA-N 621.001 7.990 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409196196 NUXGWEUSXLQEBF-SRZZPIQSSA-N 555.952 5.278 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409252162 QZOOPEJMMGWQDL-BHGWPJFGSA-N 652.003 7.142 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl 409355698 DLQPCUBONSWXEV-NSHDSACASA-N 557.847 5.388 5 40 KKBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 409387965 JTVUVUOKKZPJRY-VOTSOKGWSA-N 523.137 5.070 5 40 KKBB CC(C)(C)c1ccc2c(c1)[C@@H]1c3ccc(C(C)(C)C)cc3[C@H]2[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 8927020 DXEVLMYTGDEGKM-YVHASNINSA-N 508.618 6.586 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 100297135 CFHSMNDZEVFYRP-JLHYYAGUSA-N 528.977 6.736 5 40 KKBB COc1ccc([C@H]2CC(c3ccc4c(=O)n5c6ccccc6nc5c5cccc3c45)=NN2c2ccc([N+](=O)[O-])cc2)cc1 103856658 XYYJDGABAQUYHE-WJOKGBTCSA-N 565.589 6.864 5 40 KKBB CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1ccc(S(=O)(=O)N(C[C@@H](CC)CCCC)C[C@@H](CC)CCCC)cc1[N+](=O)[O-] 104225759 RUCJKKLQMDGLQJ-BBACVFHCSA-N 666.070 11.258 5 40 KKBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 106717395 KQLJZDYPNPWSNZ-GRSHGNNSSA-N 502.335 6.325 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]23)cc1 150365436 YDBRFTUWPFMXJZ-MHDNGKQISA-N 697.143 7.454 5 40 KKBB CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NCCCn1c(=O)c2ccc3c(=O)n(CCCN[C@@H]4C(C)(C)[C@@H]5CC[C@]4(C)C5)c(=O)c4ccc(c1=O)c2c34 150385096 MJPRHFOANHCPIC-YVBZQKQLSA-N 652.880 5.455 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 163219682 QKYNQOUUDLLUIS-KEQCBNTKSA-N 638.496 5.046 5 40 KKBB O=c1/c(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)sc2nc3ccccc3n12 197725252 GMDZMPFDJZLJAN-JAIQZWGSSA-N 542.798 5.360 5 40 KKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)o1 223949583 PVRBZTGMIVAMCG-SVBPBHIXSA-N 527.606 5.264 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224460998 NYZKMTHACWYHSI-RUZDIDTESA-N 552.469 5.455 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(Cl)cc3Cl)cc2)cc1 224767014 YDKPICZPMPSSNZ-FQLXRVMXSA-N 618.571 8.416 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccccc3)cc2)cc1 224780719 AHOSQXCOPVHMMC-FQLXRVMXSA-N 549.681 7.109 5 40 KKBB CCc1nnc(S/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)O)o1 408630478 AAXSMCGKRPANEA-BWAHOGKJSA-N 538.585 6.883 5 40 KKBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408640810 IVYURRMMVOCUEO-UHFFFAOYSA-N 597.194 5.753 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408643927 QGRCWHBLEPXXBC-GOTSBHOMSA-N 596.423 6.109 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735688 WBYRYOCERFRHKP-TZUCAZQYSA-N 674.688 5.204 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1 408838181 SHBTZAGGJLMQBY-JGTYQCAFSA-N 674.997 5.603 5 40 KKBB Cc1ccc(C)c(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c34)C2=O)c1 408997359 NXDSBVSQFYUEGE-UHFFFAOYSA-N 544.405 7.288 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408999894 SRIGEOSZYGWIFM-IQPMGOHCSA-N 738.660 7.309 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409084539 XLUYWMIJXCFRJG-CCVBWGSMSA-N 668.522 5.136 5 40 KKBB CC(C)CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c2ccccc21 409116430 KFOJLYWEMNGWHI-UCQKPKSFSA-N 507.384 6.480 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 409157831 RYSQIBZBWMNCSR-WSDLNYQXSA-N 557.506 6.389 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 409216250 GOEFMNFAVNECSZ-KEBDBYFISA-N 520.872 7.300 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1cccs1 2303293 RTBDUOAQAGYXMZ-SJJVXOANSA-N 510.640 5.166 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 14278625 BFMAHVXXUMJCEI-UHFFFAOYSA-N 515.957 6.837 5 40 KKBB CC[C@@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc([N+](=O)[O-])c1)CC[C@H](C(C)(C)C)C2 15946690 KMIRVBGIUYWYKN-AZUAARDMSA-N 526.703 6.263 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)n1nc(NCc2ccc(Br)cc2)nc1NCc1ccc(Br)cc1 97995260 WTMWQNACRQJENX-UHFFFAOYSA-N 586.244 5.624 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)cc1 100280479 YMRIKOGCORGUBH-UDWIEESQSA-N 540.454 5.246 5 40 KKBB O=C(COC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1 100283201 BEYOUJBAHYLBME-UHFFFAOYSA-N 568.494 5.249 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 100316625 ZSBWFVANSWJGLF-RCLKMUNOSA-N 535.025 7.096 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 100363555 BOMXPKOKTRHYEB-ZVHZXABRSA-N 535.534 5.717 5 40 KKBB O=C(c1ccc(Br)cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 101064311 OYDUHNVBJBYTNM-PBNWVGGGSA-N 620.459 6.339 5 40 KKBB Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cccc1-c1nc2cc(Cl)cc(Cl)c2o1 112241435 ANHFZBIUWWCUKF-UHFFFAOYSA-N 586.457 5.982 5 40 KKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215179647 DOWSGEOANOBMSQ-NUGSKGIGSA-N 524.938 5.792 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224164471 RRIWUVOVUOFTFY-WJOKGBTCSA-N 628.751 5.345 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224523332 SVURTZOPDXDSLM-SANMLTNESA-N 588.557 6.690 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224789769 ZIVCEEJPYCEOLN-LOYHVIPDSA-N 625.688 7.495 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 225092409 LBXMUJWLBIDIAV-NDEPHWFRSA-N 677.607 5.375 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260882352 JAKMWCFLIAHTJK-HXUWFJFHSA-N 700.041 6.257 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260957071 GIPYRNGLCOFKJB-MGBGTMOVSA-N 675.207 6.142 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 408565375 JZOBSECKBNTFIC-LBEGXTCUSA-N 516.356 5.280 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408568068 HNADXTQXHSLVKU-DLXDESGFSA-N 586.870 5.648 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408570688 LWJNFNDQRQLBEC-MMOZRLFVSA-N 572.843 5.258 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccccc1 408571139 NTBOBHJLOBSHPF-SANMLTNESA-N 520.611 5.672 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 408605928 HJEVWBCEIAFPBH-UHFFFAOYSA-N 548.821 6.347 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1)c1cccc([N+](=O)[O-])c1 408655509 KWXBCQMULGOGOL-NVFZYCOYSA-N 627.436 5.732 5 40 KKBB Cc1nn(-c2ccccc2)c(O)c1C(c1c(C)nn(-c2ccccc2)c1O)[C@H]1C=CC=C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 408737806 XSJUQGXPLKDHTM-WUFINQPMSA-N 603.635 6.094 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408776274 YAXAIHBBQFIWJW-KEPJHFNWSA-N 584.028 6.279 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408985216 JZXNWZWEGBAMST-QUNTYYFUSA-N 881.483 5.902 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 409033818 GCOCUQAULGXZRD-DBHVVYFFSA-N 671.175 6.152 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409047547 USIPLDRUQGTKKC-PGUFECHJSA-N 756.617 5.543 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409144459 YOUFDWYIEIRHDJ-URFJJRPFSA-N 695.848 6.124 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1 409157286 PRBBXOLKXHUBFL-WSDLNYQXSA-N 534.506 5.279 5 40 KKBB COc1ccc(C(=O)[C@H](OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 409183012 RHWNQRBAAZMDRK-HHHXNRCGSA-N 531.542 5.217 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409189593 RDNZTUCODGRALM-LPYMAVHISA-N 545.400 7.120 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)c1ccc(Br)cc1 409226899 XTFKLFOQJOVDSM-RGVLZGJSSA-N 513.325 5.537 5 40 KKBB O=C(Nc1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1)c1ccccc1C(=O)N1CCOCC1 409332482 FUIVYUUVWVHMLJ-UHFFFAOYSA-N 569.064 5.875 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl 848540 NDDULNGURDOOSM-UHFFFAOYSA-N 543.845 6.614 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1cccc([N+](=O)[O-])c1 2068024 HAKBDKSZWPRJFN-UHFFFAOYSA-N 568.152 6.049 5 40 KKBB CC[C@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 60060236 DWIQIAVTQUBMTD-NRFANRHFSA-N 532.018 5.028 5 40 KKBB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)nc(-c1ccccc1)c1cc(NC(=O)COc3ccc(Cl)cc3)ccc12 98009014 NQEGIAISSRWUBX-UHFFFAOYSA-N 622.508 8.397 5 40 KKBB Cc1ccccc1C(=O)CN1C(=O)[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)N=C(c2ccccc2)c2ccccc21 100947533 RRNODGQZDXOKOO-SSEXGKCCSA-N 561.598 5.426 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)CCC(=O)O)[C@@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=C(O)C1 100981646 XLJKVWKZXCYRKP-NDEPHWFRSA-N 529.549 6.512 5 40 KKBB C[C@@H](c1ccccc1)n1c(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 102932030 FHRWEQUSBUPGBF-SQJPUDIVSA-N 603.660 6.587 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5cc(Br)ccc5Cl)nc4c3)cc2[N+](=O)[O-])CC1 105302789 QBPZSCKTUSXUPC-UHFFFAOYSA-N 569.843 7.308 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 106703410 KNUMOWVWSIESGX-CFRMEGHHSA-N 533.562 5.166 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]23)cc1 150365441 YDBRFTUWPFMXJZ-OFRZWCKSSA-N 697.143 7.454 5 40 KKBB Cc1ccc(-n2c(C)c3c(c2C)[P@@](=Nc2ccc([N+](=O)[O-])cc2Br)(N2CCOCC2)N(c2ccccc2)N=C3)cc1 150480641 ADFFHNWMJNMECF-VQJSHJPSSA-N 633.487 7.248 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 205754234 ZUAKOUWFYSZJBC-FSJBWODESA-N 602.406 6.024 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 214683401 QPGBSKKDWPAOTO-BUVRLJJBSA-N 533.562 5.248 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223199312 ZVOPJNQTIPEKQO-MGBGTMOVSA-N 658.777 5.192 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223805186 XZDBLHBAMWPDPM-KDYSTLNUSA-N 598.563 6.145 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224372329 PQLXOFIDCPBLAG-SANMLTNESA-N 584.536 5.757 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224441122 KZAPNNHQAJWXRQ-YTTGMZPUSA-N 725.239 6.454 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 224825996 QBRGUZMRCLPRLI-JWQCQUIFSA-N 502.552 5.444 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)o1 225695583 LHGAYLZBDNTWFV-IZLXSDGUSA-N 557.632 5.568 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229600630 HPEVXTCHWZUTIR-XMFJDCMESA-N 599.643 6.364 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2Cl)C1 260925513 UTKHQSYKDLFZIW-JMGNVCAQSA-N 587.149 7.093 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1 408566207 FBRFCXMMVCRUDQ-RUZDIDTESA-N 557.047 6.764 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(Br)c2)c1 408572444 REEACILWSGQUTE-NDEPHWFRSA-N 589.515 7.489 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408577765 ZUGCMDCFXDZTMX-DIQBVPKUSA-N 621.315 6.302 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408641245 CCHBWTFRCUSMGZ-OVWYZSLCSA-N 634.428 5.168 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)cc2)cc1 408645751 IBXVUJMFBUYOGR-MFUHDEKWSA-N 727.751 5.803 5 40 KKBB CC(C)[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408681833 JOPUQQUHNDECQI-SFHVURJKSA-N 563.177 5.011 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688608 WJBHRPDKYPYNMJ-FZDFQQAASA-N 598.442 6.351 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408770511 YJEDKHWIBZMPOP-JYNXQWRTSA-N 725.530 5.187 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4c5ccccc5cc5ccccc45)c(=O)n32)cc1OCC 408939645 TVIXYWJNQCQSKH-IUBRTPTASA-N 564.663 5.122 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408991375 ZZKWAEQTFHTFPA-PEPUGYCWSA-N 852.501 6.799 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)C2=O)c1 409100473 NTHDKBSZNDWAAG-WGOQTCKBSA-N 536.544 5.167 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1 409101569 YJRLPBSGIBWLCW-RISWYLRJSA-N 696.605 5.199 5 40 KKBB CCOc1cc(CNc2ccc(C)cc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409116895 NLKNSSMJFDMIMU-UHFFFAOYSA-N 532.378 6.406 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409159959 CWUOQRGXDJBYQS-XQNWCSQWSA-N 645.763 5.053 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)cc1 409180568 ZZPNVSOGJDDIPY-UHFFFAOYSA-N 665.452 8.100 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 409214523 XZLGUMHXBSXGQW-KEBDBYFISA-N 624.694 7.593 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O)Nc1ccccc1Cl 409232342 NYFWARVEEWSFBU-VXLYETTFSA-N 518.334 5.837 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)c(OC)c1 409271082 IWBFLFFGRNFDKY-GSTVVXAASA-N 653.761 5.036 5 40 KKBB COc1ccc2c(c1)[C@H](Cc1ccc(Oc3cc(C[C@H]4c5cc(OC)ccc5CC[N+]4(C)C)ccc3OC)cc1)[N+](C)(C)CC2 5369723 XPTZLWPVLRHFHQ-BCRBLDSWSA-N 608.823 7.337 5 40 KKBB COc1cc2c3cc1Oc1cc(ccc1O)C[C@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3[N+](C)(C)CC2)CC[N+]1(C)C 8582160 PXXYOLIWFSWZNP-KYJUHHDHSA-P 624.778 6.846 5 40 KKBB in-vitro CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1[N+](=O)[O-] 14276173 FFFVWUHTBRZGHG-UHFFFAOYSA-N 504.524 5.119 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2[N+](=O)[O-])CC1 59294194 FCKZEEUTYWQKPK-UHFFFAOYSA-N 514.626 6.633 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc(C34CC5CC(CC(C5)C3)C4)nc3sc4c(c23)CCCC4)CC1 100407078 CFUGRLDCIPOYTA-UHFFFAOYSA-N 557.720 5.909 5 40 KKBB Cc1ccc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccc(OC(F)(F)F)cc2)cc1 101140173 KJNIOXOSHFLXDN-UHFFFAOYSA-N 528.512 6.385 5 40 KKBB CC[C@H](Sc1nc2cc(OC)c(OC)cc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)C(=O)Nc1cccc(C)c1 101307945 DPXVDFYCXKETAX-DEOSSOPVSA-N 558.620 5.688 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6cccc([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1OC 104658011 ALHYWISCYKRRGY-NBQDTTAVSA-N 591.645 5.504 5 40 KKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(I)cc1 106751496 CDMLJMFXCGYJHD-MTJSOVHGSA-N 608.866 7.241 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112240263 VHGBEARXVGGUPK-UHFFFAOYSA-N 553.600 5.520 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 163711125 BIMISKCKYUXTKQ-UPWSPCOFSA-N 662.702 5.138 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 164516012 FSMRFNJOIABXCU-KMCFWPMWSA-N 678.679 5.553 5 40 KKBB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222659897 WLEBUPCPXVBUFY-QGZVFWFLSA-N 657.960 5.231 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223398214 UPKNRKUIYOPUEA-NDOVKIIASA-N 721.276 6.624 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 225082255 YDXPBYCFAPUJBN-FIRIVFDPSA-N 590.665 5.975 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225320472 ZFWRWTMYLOFJBM-PMERELPUSA-N 641.190 5.412 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 225557971 AJDVFJUHNSVZRV-NSOVKSMOSA-N 541.633 5.814 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261112024 YAGSZKMYLLCYBQ-MGBGTMOVSA-N 707.249 6.315 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl 408565566 LKASHLKONSLWSJ-BQGAEBSMSA-N 554.430 5.636 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(C)cc1 408566312 FHHZKXMKCNRELC-AREMUKBSSA-N 504.612 5.890 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1Cl 408569514 JJTQAHAAOYCPPD-VWLOTQADSA-N 543.020 6.456 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12 408569995 KNBSEPOJTMBPGN-KIKXPBQXSA-N 588.458 5.758 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)cc1 408642446 DVXDHDPMBGLKCJ-YNPPORQASA-N 691.696 6.255 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408643114 FOGZZLAIYUFZDG-AGTZKDDFSA-N 626.452 6.034 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408684736 NWLLYIBATXJUDF-UHFFFAOYSA-N 751.407 7.152 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730426 QTSZAGGNPMDDCZ-DDIUQFJASA-N 621.671 5.546 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1)Nc1ccc(Cl)cc1 408749829 JDXHKIKWEFMHBL-UHFFFAOYSA-N 542.982 5.539 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408762124 NDGVCTDJMMPHOR-XFPFAXQNSA-N 707.761 5.449 5 40 KKBB O=C(O)c1ccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(C45CC6CC(CC(C6)C4)C5)cc2)C3=O)cc1 408994011 FCVYAQXGTRIXTR-UHFFFAOYSA-N 572.617 7.382 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408997453 GHNAJXGPHXYDOM-VYQNWNTASA-N 723.807 7.340 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc(Br)cc1 409164278 FZNODKHJDBPHOS-SRZZPIQSSA-N 599.375 5.733 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(-c3nc4ccccc4s3)cc2Br)cc1 409270392 FGDBOEYWBPJELU-UHFFFAOYSA-N 520.202 6.976 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 3143190 UAGIMHIAEQUIRW-UHFFFAOYSA-N 598.335 7.130 5 40 KKBB O=C(O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)c1c2ccccc2cc2ccccc12 3283838 YBWYWLRNQLCQID-HHHXNRCGSA-N 533.933 8.202 5 40 KKBB COc1ccc(OC)c([C@@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)c1 8437171 SBSHUTWPBWBMOO-OUPPTFFXSA-N 710.606 6.586 5 40 KKBB c1ccc(-c2nc3sc4c(ncn5c(SCc6ccc7c(c6)OCO7)nnc45)c3c3c2CCC3)cc1 8838276 LPDPFJDIRKEPSC-UHFFFAOYSA-N 509.616 6.064 5 40 KKBB Cc1ccc(N(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 12587091 INBSKBUAAJTFLE-YRISNDGFSA-N 508.040 5.001 5 40 KKBB CCCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1CC 13526676 FIGPWODBTGQBNB-AWEZNQCLSA-N 503.477 5.861 5 40 KKBB CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCCOc1ccc([N+](=O)[O-])cc1 17124672 CTAJBOLDMDJLIA-UHFFFAOYSA-N 507.568 5.295 5 40 KKBB CN1/C(=C2\C=NN(c3ccccc3)[P@]2(=Nc2ccc([N+](=O)[O-])cc2Br)N2CCOCC2)C(C)(C)c2ccccc21 97983271 GCOSVBFZONZSQN-WEGXNMAGSA-N 621.476 7.497 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)nc2ccccc12)c1cccc([N+](=O)[O-])c1 100396592 WBZSDDJTSRUVMT-UHFFFAOYSA-N 557.518 5.650 5 40 KKBB Cc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103551368 UBLRONAYKDNJFH-HPNWTYDNSA-N 555.590 5.759 5 40 KKBB CCOc1ccc(C(=O)Nc2c(Br)cc(Br)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 105319416 BWCGUWIZVDJZBS-UHFFFAOYSA-N 577.254 7.048 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105322331 WESHFAIQCAWATM-UHFFFAOYSA-N 536.997 5.784 5 40 KKBB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3F)n2[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 108823590 PTBVLKBTEDEXGQ-LXZJYRNTSA-N 555.632 5.641 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223802587 RJBQAXNEXUGOHC-HXUWFJFHSA-N 651.569 5.357 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccccn3)cc2)cc1 224762041 DUNPMUXHQHLDCS-WUFINQPMSA-N 550.669 6.504 5 40 KKBB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1 224854757 SPFGFJDOHXCSCL-CLJLJLNGSA-N 532.578 5.453 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 225540557 XVTGHSUNVPZLOJ-FTJBHMTQSA-N 513.579 5.251 5 40 KKBB CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)CCC1 256116079 DMASLKHVQRHNES-WLIKXKHRSA-N 552.887 11.577 5 40 KKBB COc1cc(CNc2cccc(C(=O)O)c2)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408614052 XSPCSOKXVUDTGZ-UHFFFAOYSA-N 541.276 6.487 5 40 KKBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408637715 AUNZCCRFSUZVJM-YIMSRHPRSA-N 700.573 6.324 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408640751 IQOKSRUCMIJRCN-UDZKVIAYSA-N 632.456 5.987 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(=O)c5cccc([N+](=O)[O-])c5)cc4)c(=O)n32)c1 408770437 XNYFKSJMXPKHFY-IMUCPKNRSA-N 646.681 5.010 5 40 KKBB CCOC(=O)c1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)o2)cc1 408775884 SQFNUTAAMGLYEO-ASUJOLEISA-N 603.656 5.664 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408947498 NSVKSNSHVJRCPW-ACHQHTMYSA-N 681.170 6.413 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 408950604 TZUFEIHKWQGYPT-FUFNRSNVSA-N 555.055 5.377 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409093105 XNGJGAAHUMMUDW-PBKKUYBVSA-N 702.967 5.790 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409134581 SGHWIGLFAMNYKV-KOEQRZSOSA-N 553.036 6.895 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409149499 IDFTVNSWWZPABP-WPWMEQJKSA-N 697.564 5.847 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 409176463 ODPSDXFQFRONMT-UHFFFAOYSA-N 502.504 6.804 5 40 KKBB Cc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409182534 MHFZRZBHQAFJLN-UHFFFAOYSA-N 553.483 5.761 5 40 KKBB Cc1nc(S/C(=C/c2ccc(Sc3n[nH]c(-c4ccc(Cl)cc4Cl)n3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 409196008 SCXHMMVIHBHRGA-FRKPEAEDSA-N 550.409 5.482 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409199331 CIQWBQLWCXUTFG-WSDLNYQXSA-N 636.851 7.071 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409239641 HVEBAIHPQCFMJD-FSJBWODESA-N 553.980 5.511 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O 409276239 ZDWCQHWURIQCIO-WSDLNYQXSA-N 507.524 5.155 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409328946 AVCVLRVWLNFALX-YDZHTSKRSA-N 548.577 5.589 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 409365816 YPGSSGWLVQPPOD-NRFANRHFSA-N 531.038 5.026 5 40 KKBB O=C1S/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 100361188 CTIMPRVGVDOJEE-BHGWPJFGSA-N 521.957 6.627 5 40 KKBB CC(C)c1ccc(C2=NN(c3ccccc3)[C@@]3(C=C2)SC(C(=O)c2ccccc2)=NN3c2ccc([N+](=O)[O-])cc2)cc1 102402044 GSKMSRNUDWDMFH-MGBGTMOVSA-N 573.678 7.602 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6C)o5)c(=O)n42)c2ccccc2CC3)cc1 104656882 MNPVFUAYRYSBKA-IMUCPKNRSA-N 575.646 5.804 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 105306496 BOYBFYSSVDWNDO-UHFFFAOYSA-N 580.066 6.143 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223293810 LUDROBZJXRZOPJ-SANMLTNESA-N 659.205 5.791 5 40 KKBB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223900842 KZNHHRLMEWWRQF-SFHVURJKSA-N 671.987 5.621 5 40 KKBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224417710 BRHIGFCURYGURN-XMMPIXPASA-N 686.014 6.011 5 40 KKBB Cc1[nH]c(C)c([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1I 224763096 XUNQGYMLSWNCEA-DQEYMECFSA-N 627.533 6.868 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3Cc3ccco3)cc2)cc1 224768562 BCGLYOXTEJIAFQ-WUFINQPMSA-N 553.669 6.761 5 40 KKBB COC(=O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 224793381 WSVZFUFJKTVENX-XZWHSSHBSA-N 608.701 7.365 5 40 KKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1 225377754 MHGIBAUNJPEGLU-WUFINQPMSA-N 525.634 6.279 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260948295 UQUHVCLKYIHMPN-UUWRZZSWSA-N 723.679 7.186 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261110345 XQSRSIOWOVRHBY-CMVGPNDKSA-N 642.778 5.653 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccccc1F)[C@@H]1CCCN12 408568786 UPCZNECLBVFRJF-UQBYDPJISA-N 552.400 5.222 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408571126 NSDGCZDBBRWNAE-DEOSSOPVSA-N 559.475 6.970 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(Cl)cc1 408571172 NZAPAJRKIBYGHB-QFIPXVFZSA-N 567.857 7.364 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1 408645928 NOZXTFQAQICSMA-UHFFFAOYSA-N 526.332 5.921 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408736056 CHWIRIWHFCHBNO-UNDLXJOSSA-N 597.693 5.409 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 408753495 JFGZZUGZPHRDIN-JOHYPREOSA-N 726.605 6.194 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408769061 LKJSCQASEHPNPN-HWMKKPCCSA-N 773.456 5.828 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408832506 ZCWFZHBDRLRKSM-JGTYQCAFSA-N 674.997 5.603 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl 408839305 QLIMPQAWYBSNOH-GIJQJNRQSA-N 573.797 7.333 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(I)cc1 408917588 XXRKHGDZKHJJDI-ZVHZXABRSA-N 616.433 6.414 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 408926409 NGGUTZCFPOXZQZ-FVUNBJOLSA-N 682.755 5.044 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408944330 VDIPXJJBJKNSHR-OIUASMPBSA-N 688.715 5.593 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c(Br)c4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409178419 HNPIESZMKPUNDW-KEQCBNTKSA-N 622.497 5.346 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C 409221773 AJFHBZCEYTXSMY-FBHDLOMBSA-N 529.933 5.939 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(C(=S)N3CCCCC3)cc2Br)cc1 409367606 BLTKJUCHLWRCOL-UHFFFAOYSA-N 514.239 5.860 5 40 KKBB O=[N+]([O-])c1cccc(COc2c(Br)cc(C(=S)N3CCCCC3)cc2Br)c1 409367943 OUSWMSJJVYVSMS-UHFFFAOYSA-N 514.239 5.860 5 40 KKBB CCCC[C@@H](CC)Cc1ccc(-c2c3sc4ccsc4c3c(-c3ccc(C[C@H](CC)CCCC)s3)c3sc4ccsc4c23)s1 1776010843 CLTVRFNIVLMSQU-DNQXCXABSA-N 691.156 15.520 5 40 KKBB CCCCCCSc1nnc2c(n1)O[C@H](c1ccc(-c3cccc([N+](=O)[O-])c3)o1)Nc1ccccc1-2 2073899 KXGKDCBVSCQNPA-XMMPIXPASA-N 503.584 6.882 5 40 KKBB COc1ccc(C[C@H]2c3cc(OC)c(OC)c(OC)c3CC[N+]2(C)C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CC[N+]2(C)C)OCO4)cc1 82190249 AQJUOAPVBUCVAX-HEVIKAOCSA-N 712.884 7.083 5 40 KKBB Cc1ccc(N2C(=O)N(c3ccc(C)cc3)C(=O)C3(Cc4cc([N+](=O)[O-])ccc4N4CC[C@@H](C)C[C@@H]43)C2=O)cc1 97956275 ZHMPSVRXUUTODJ-JIPXPUAJSA-N 538.604 5.559 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(N2CCOCC2)cc1 100338719 LCDJUWRKELLZBQ-XYGWBWBKSA-N 611.101 5.911 5 40 KKBB Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl 105307935 FEQQRCQBEOOYAZ-UHFFFAOYSA-N 536.017 5.018 5 40 KKBB COc1cc([C@H]2c3c(C)nn(-c4ccc(S(=O)(=O)c5ccc(C(C)C)cc5)cc4)c3N=C3C(O)=Nc4ccccc4N32)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 150482796 ZHWWFMUSRAUIRN-LHEWISCISA-N 818.890 8.063 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Br)[C@H]1[C@@H]3C(Cl)=C(Cl)[C@@](Cl)([C@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl)C3(Cl)Cl 157678407 ACWWEAABJHNJCH-IQMZHFBKSA-N 763.168 10.100 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1 163550893 BJWSDBPNTRDAJX-VZVSMJQGSA-N 699.716 6.355 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 163564661 MRBDPGYQYSPPJB-NFYDWNOTSA-N 731.394 5.950 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223930436 LZWVDLNYQPYGGB-QCBOHVIISA-N 741.694 6.969 5 40 KKBB Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 224769301 BOQWSGHSVDRWTE-IHLOFXLRSA-N 596.759 8.371 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225295564 LVHLXMHTFRZMPK-NHCUHLMSSA-N 665.596 5.746 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225354091 IYYVLWQDYHZUQL-UMSFTDKQSA-N 689.234 6.533 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 247309860 HZJJTVSUAGHUPD-TVXPCSCSSA-N 547.592 5.638 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)c(Cl)c1)[C@H]1CCCN12 408565399 KHPWUVNCUSGBDS-AWTIUKJOSA-N 507.949 5.113 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408570404 LJJNFNWGBOBUBL-AJZQZXEDSA-N 586.870 5.648 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc2ccccc12 408573648 TZYUAWCSBZWVQB-NDEPHWFRSA-N 619.541 7.498 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1 408687017 OHQWOHUCTWOYHP-ZDUSSCGKSA-N 607.230 5.410 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408688452 WIGVVWGWCLDEIM-TUSFPTNYSA-N 658.536 6.252 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 408842237 JKCFNDINRMSXAP-GEYGMGCISA-N 757.606 6.428 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1 409044682 ORQOSUZDNUDKRJ-UQDCTOEPSA-N 587.654 5.062 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc(Br)cc1 409170562 WFXOCVACHOOMHR-YBFXNURJSA-N 528.340 5.292 5 40 KKBB COc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 409174261 UOLPIPCMUKOYCJ-UHFFFAOYSA-N 554.408 5.061 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1Cl 409273835 LVWUXWQOCWSQPO-KEBDBYFISA-N 548.360 5.845 5 40 KKBB Cc1ccc(NC(=O)c2ccc(CN3CC[N+](C)(Cc4ccc(C(=O)Nc5ccc(C)c(Nc6nccc(-c7cccnc7)n6)c5)cc4)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 504031262 QBGARNIMTBRKNN-UHFFFAOYSA-O 888.073 9.462 5 40 KKBB in-vitro C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 585139694 TYZTVRJMCYQKFN-FXVXWGRMSA-N 546.454 7.984 5 40 KKBB O=C(OCC(Br)(COC(=O)c1cccc(C(F)(F)F)c1)[N+](=O)[O-])c1cccc(C(F)(F)F)c1 2555999 ADQBBRZJAOFRRJ-UHFFFAOYSA-N 544.198 5.106 5 40 KKBB O=C(CCCC(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc2[nH]c3ccccc3c(=O)c2c1 5479453 LMIYCVAKOBJVBO-UHFFFAOYSA-N 516.557 5.424 5 40 KKBB O=C(c1ccc(Cl)cc1Cl)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 8440019 HZXKVIALBLYYJA-HHHXNRCGSA-N 662.327 8.164 5 40 KKBB COc1ccc(OCc2ccc(-c3nc4c5sc6nc(C(F)(F)F)cc(C)c6c5ncn4n3)o2)cc1 13643649 TWDVTRCEVZWQCF-UHFFFAOYSA-N 511.485 6.062 5 40 KKBB COc1ccc([C@H]2C=C(c3ccccc3)Nc3nc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)nn32)cc1 100998400 LYLVPPXHHOJXOG-OAQYLSRUSA-N 502.918 5.157 5 40 KKBB COCCn1c(C)cc(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c1C 103053662 FFOMJUYVAAIBDS-UHFFFAOYSA-N 540.425 5.045 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 105498972 YXOWROAKVOMYEH-PNZYDNNZSA-N 596.086 5.342 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC(C)C 108966096 FBHVDGWFSULKDE-ASUJOLEISA-N 562.691 5.892 5 40 KKBB O=Cc1ccccc1-c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2 150342516 IXMWRMWFCFDTKE-UHFFFAOYSA-N 642.762 11.136 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 150363258 MJNAUSZPQJKLMY-DRBQYUEGSA-N 700.523 5.595 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222692210 UDNMMZQLUMPDTI-XIFFEERXSA-N 741.694 6.826 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223813029 INWFDFGXPIGRBW-FNZWTVRRSA-N 598.494 5.300 5 40 KKBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 224260247 STDNHDDMGLHWPH-HHHXNRCGSA-N 533.694 5.691 5 40 KKBB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224317518 SIFBFBDYFMEESU-INIZCTEOSA-N 512.459 5.324 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224796038 OOZBINUOMMYQHY-HXUWFJFHSA-N 651.569 5.357 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 247351879 WIXOSKXCILXJHS-LUIYPFIDSA-N 576.008 6.230 5 40 KKBB CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OCC 408565907 DECMMQXJHKHJJL-QFIPXVFZSA-N 535.464 5.863 5 40 KKBB CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OC 408576159 XLRKABLHBCROFZ-OAQYLSRUSA-N 521.437 5.472 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1ccccc1 408577807 ZZGDNVMULDWZKP-HSZRJFAPSA-N 543.418 6.166 5 40 KKBB COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 408637455 KROAXQQBPKBEDG-QFIPXVFZSA-N 582.565 5.967 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408637746 AZMDWXDAWFMSOO-PDNQGOMLSA-N 841.098 7.808 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408680008 FUWJPYZKXGLZEF-FZDFQQAASA-N 529.552 5.044 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408810061 IVXIAQDLGXOCBQ-MXLMUYMQSA-N 887.465 6.771 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917336 RIVRLIUHQZYBOB-SRZZPIQSSA-N 549.819 7.371 5 40 KKBB Cc1cc(C(C)(C)C)cc(C)c1CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408983523 LBOONAJPYHQXTB-UHFFFAOYSA-N 531.659 7.212 5 40 KKBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409075929 VSRWAIOLCIJCAE-DTQASYIRSA-N 600.241 5.297 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cccc(OC)c1 409189102 CSWMFVQMXMMTOH-GSFJQCGGSA-N 779.300 6.935 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409226406 NRFVGNVWNACRAJ-SRZZPIQSSA-N 538.354 5.038 5 40 KKBB Cc1cccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)c1 409230767 GHSIOHXDTSBDQV-LPYMAVHISA-N 522.355 5.338 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409270623 HTHISXVNXPZCAQ-LMBBUSAASA-N 635.790 6.142 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)c1C 409275491 VFMYYFZFTDCRIG-FSJBWODESA-N 571.533 6.698 5 40 KKBB CCOc1ccc(NC(=O)[C@H](C)Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1 409337368 SWWMPDZLIFMKSO-AWEZNQCLSA-N 548.602 5.523 5 40 KKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccccc1C(=O)N(c1ccccc1)c1ccc2ccccc2c1 2022826 OEUSPBMMKZLWRG-UHFFFAOYSA-N 513.509 6.527 5 40 KKBB O=[N+]([O-])c1ccc(CSc2nnc(CSCc3c(Cl)cccc3Cl)n2-c2ccccc2)cc1 3134839 HSDWJZMEMRAFCF-UHFFFAOYSA-N 517.463 7.208 5 40 KKBB O=C(c1cc2cc(Br)ccc2oc1=O)N1CCS[C@H]1c1c2ccccc2cc2ccccc12 3668570 VCGLHNNQMZLUQA-SANMLTNESA-N 516.416 6.750 5 40 KKBB CCOC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)c1ccccc1C(CC)=NN2c1ccccc1 9075342 LVCGDTNAKZQUFN-SANMLTNESA-N 501.568 5.469 5 40 KKBB CC(C)(C)[C@H]1CCc2c(sc3nc(C4CCCCC4)nc(NCCNC(=O)c4ccc([N+](=O)[O-])cc4)c23)C1 13510235 NYIFWBLVNODBTA-FQEVSTJZSA-N 535.714 6.640 5 40 KKBB CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@]2(C=CC(c3ccc(Cl)cc3)=NN2c2ccccc2)S1 16138903 HQGZUOMEQXGVEY-VWLOTQADSA-N 503.971 5.838 5 40 KKBB CCOc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OCC)C1c1cccc([N+](=O)[O-])c1 73316138 ZNAXNOLCHXPUNU-UHFFFAOYSA-N 556.619 5.904 5 40 KKBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc3n2CCc2ccccc2)cc1 96022788 TXUNFWSBKCTYOP-UHFFFAOYSA-N 613.677 5.369 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3c4ccccc4cc4ccccc34)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 97954138 JWHXOMINVDSPGA-SSBOKUKZSA-N 539.418 7.351 5 40 KKBB Cc1ccc2c(c1)N1[C@@H](C=C2)[C@]2(C(=O)Nc3ccccc32)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)c1ccccc1 103548690 SETJNAPNEKCWEW-IANDGLOUSA-N 555.590 5.759 5 40 KKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccc([N+](=O)[O-])c2[N+](=O)[O-])cc1/C=C/c1cccc([N+](=O)[O-])c1[N+](=O)[O-] 104108604 MLLBUEYGPSJTBQ-FIFLTTCUSA-N 552.368 5.477 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(C)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1OC 104658019 FOFVESZQPNFSTQ-KOHOJCOXSA-N 605.672 5.813 5 40 KKBB COc1cc(C)c([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1C(C)C 223279025 XXTLTDLUHVIQGB-FQEVSTJZSA-N 525.627 5.108 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224042326 NVNWGFZPGOKQKS-UMSFTDKQSA-N 672.804 5.582 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224159813 QKTXUOWYHRVHHH-SANMLTNESA-N 519.667 5.383 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 224759332 WCHNSMXHDLXXFP-LOYHVIPDSA-N 564.623 7.228 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)o1 225538638 IQAAAJZTOOBRNQ-SXOMAYOGSA-N 543.605 5.260 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229872940 WKIVEZKDGCBOBQ-CSSWAUQYSA-N 597.671 6.649 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 229989827 YYPROOUPLMEMIX-CKPORNQBSA-N 559.553 5.716 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260984010 OQQGOLKCZUUZPS-PKTZIBPZSA-N 645.178 5.401 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 408576015 XEGYNBJYRLVTJO-DEOSSOPVSA-N 559.475 6.889 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 408577760 ZTWBZRAIYUATLU-DEOSSOPVSA-N 600.451 5.944 5 40 KKBB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Br)cc4)cc3)CC2=O)cc1[N+](=O)[O-] 408638187 BSGASUKDTLOTFX-INIZCTEOSA-N 510.344 5.450 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408662247 XNUXCUDMKIKQRD-CPAHJZNRSA-N 636.444 5.392 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408682090 IPPQTTCHMLSIMV-SNINSWTHSA-N 669.088 5.507 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(F)cc1 408683197 KSEUTVYIHSDAMT-UHFFFAOYSA-N 762.962 6.320 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408754270 FXTLRCPJAFWJGI-FPWMYLJGSA-N 835.527 6.965 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408829643 PPHVPAMUTJAASC-QCHPHUCNSA-N 633.988 5.171 5 40 KKBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(CSc2ccccc2)cc1 408922608 CRRWTPPTUWOMKC-UHFFFAOYSA-N 533.631 5.721 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409018659 XNFIWVOUDCEBEK-PVGUKEHMSA-N 582.416 6.012 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])c(OCC)c3)C2=O)ccc1Cl 409154102 MRQMSUSCYNAQQL-JFLMPSFJSA-N 654.097 6.468 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)o1 409179135 PZPAUYOSOUNVHT-SRZZPIQSSA-N 527.942 5.500 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409181013 XYZVYKBGGSNEQZ-CVKSISIWSA-N 561.616 5.864 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1 409242374 RKKMRWIXVNBXSZ-SRZZPIQSSA-N 534.899 7.296 5 40 KKBB COCCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O 409246399 HTYSSYAPSFXDPG-RGVLZGJSSA-N 537.388 5.018 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc2ccccc12 409258733 ZRXIEPPFTZYHCI-JFLMPSFJSA-N 633.476 7.017 5 40 KKBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12 409318571 YRNGIWQALUGXOB-KHPPLWFESA-N 538.354 5.860 5 40 KKBB CCOC(=O)C1=C(C)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@@H]1c1cccc(Br)c1 409337404 TWMOMEYSQFDXEZ-HXUWFJFHSA-N 500.374 5.653 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409381970 JIJXOSNLXSZPHA-QFEZKATASA-N 594.045 5.457 5 40 KKBB C[N+](C)(C)CCO[P@](=O)(O)CCCCCCCCCCCCCCCCCCc1ccc(C2=C3C=CC=[N+]3[B-](F)(F)n3cccc32)cc1 605822820 IGSUGQSLGYRIKA-UHFFFAOYSA-O 686.698 9.829 5 40 KKBB CCOc1ccc(NCc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 6090043 CDZUZFUHFACZDX-SFHVURJKSA-N 518.599 5.306 5 40 KKBB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 16363502 GNGGIDAYWWPHER-UHFFFAOYSA-N 500.949 5.198 5 40 KKBB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2[C@@H](c3ccc(OCc4ccccc4)cc3)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 33354938 ULSJQNUCQKMQSN-GAXMATBJSA-N 721.748 5.878 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c2=O)=N1 104676660 JMRHKQXBDCEYRO-JLKMOJGBSA-N 599.709 6.179 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307844 RLLWIGYZIHQYKX-UHFFFAOYSA-N 556.431 6.437 5 40 KKBB CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)N(c2ccccc2[N+](=O)[O-])C(=O)[C@H]13 105346810 YGUPHSYJUKWQMM-MHHFXTAFSA-N 520.626 5.610 5 40 KKBB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 105513162 NFOOGIFPQKYZMC-UHFFFAOYSA-N 535.093 7.886 5 40 KKBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 106020175 BVDAAQKWCKLXRL-JCYYIGJDSA-N 583.528 5.013 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 106740513 YDGYVAJIFBKUQW-XKZIYDEJSA-N 524.938 5.713 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1 111465284 ZPAKUOWTKIYXLL-ZHGFHMGHSA-N 591.645 5.412 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 150389467 GEBHDBBRWZCTMO-VAJXBNCCSA-N 693.359 6.044 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222715469 IIYKCXHYXBVEKV-WJOKGBTCSA-N 699.613 5.800 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223508529 OZTNKJKOWGWNHF-SSEXGKCCSA-N 679.593 5.329 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223530961 RHVFECYNXRQJDH-FNZWTVRRSA-N 554.043 5.190 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223709826 JKWVLBSESNKSAG-WJOKGBTCSA-N 748.085 6.844 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 225284991 ZDSAWDMLKCSTRY-RRPNLBNLSA-N 543.605 5.320 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260915744 YZZAGJYFSLILPH-JGCGQSQUSA-N 711.212 6.064 5 40 KKBB O=[N+]([O-])c1cccc(NCc2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)c1 408557624 PRQUTQQIABTUIC-UHFFFAOYSA-N 571.063 7.073 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)cc1 408566740 GAJNQVWTRYVMBI-VWLOTQADSA-N 525.030 6.317 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc(Cl)c1 408577773 ZULPTHKRPKRWEQ-XMMPIXPASA-N 603.926 6.998 5 40 KKBB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408604050 CYFXSXHGPJXQHY-UHFFFAOYSA-N 509.759 6.740 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc(C)cc2)=C1c1ccc(C)cc1 408727650 FWWUGDASIGWWQY-FGDVEMDPSA-N 660.726 7.409 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731443 MPMMKEBNCPCDDV-AREMUKBSSA-N 517.538 5.290 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Br)c(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1 408758002 UDUOCNUPRGPGCK-KFOJKGMOSA-N 759.476 7.340 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408759507 GHYOJKOYKSWFDY-IVWKLCDSSA-N 741.778 6.233 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)S2)cc1 408776435 ODOCRLMGICWFSJ-KGONEIDKSA-N 648.435 6.071 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408823771 GGZPXICFWBWDSS-KEPJHFNWSA-N 818.484 6.440 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408831301 UYHLXLJFFBFSJI-ZGOFBEGVSA-N 582.663 5.412 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1 408845822 ZOBUVTUFAUCMEA-QARYAGPDSA-N 674.053 5.490 5 40 KKBB Cc1[nH]c2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408849422 ZXBJIEDNKBURGF-LCQSEVKBSA-N 518.598 5.017 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)o1 408924975 RYYSUSDLPNIEJY-SUAMDDGLSA-N 605.694 5.086 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CC1CCCCC1 409140762 SGYPDYUBECVUFT-CIAFOILYSA-N 610.324 7.315 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)ccc1Cl 409169040 PHBVMFWYJCDFFE-JFLMPSFJSA-N 654.097 6.468 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(Br)cc1 409175078 ZBKAPWRDDMJMGH-SRZZPIQSSA-N 599.375 5.733 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 409333663 KZWLEIYZOVPDMS-UPWSPCOFSA-N 694.947 6.642 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409358958 MEXNTKYYIRZPEO-JYNXQWRTSA-N 794.451 6.514 5 40 KKBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(I)cc2)nc2cc([N+](=O)[O-])ccc21 6016698 XEYSQUSCDOJXFA-UHFFFAOYSA-N 560.373 5.278 5 40 KKBB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 23968607 RPVOWJQJQLLGEI-IBGZPJMESA-N 505.518 5.925 5 40 KKBB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 35147461 ZZRCKEOUYOLDIC-SANMLTNESA-N 512.522 5.310 5 40 KKBB COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccc(Br)cc5)cc([N+](=O)[O-])c4)c(Cl)c3N2)cc1 97949203 BETFYNBAUVZZSY-FCHUYYIVSA-N 666.838 7.921 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)c(Cl)c4)C3=O)cc2[N+](=O)[O-])cc1 100370005 AGVKAIFGPOLPTF-FMCGGJTJSA-N 554.049 6.691 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Br)cc2)ccc1Cl 101079844 SCWAQFRYEOIWHF-UHFFFAOYSA-N 534.779 5.498 5 40 KKBB COc1ccc(Cn2c(-c3ccc(Cl)cc3)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1 102581331 PDRVXUANTOMYIB-UHFFFAOYSA-N 523.770 5.643 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C(=O)N1Cc1ccccc1 102746292 HKAFWWXDHNSTMU-TWJOJJKGSA-N 529.936 5.555 5 40 KKBB CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccc(OC)c(OC)c1 102875246 DSCIVNJGQHNIGS-FLASPHMUSA-N 569.658 7.742 5 40 KKBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105311690 XNXOTFSHYQNZGZ-UHFFFAOYSA-N 572.499 6.905 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 106695997 QXLGODYGUQWFIQ-QRVIBDJDSA-N 522.510 5.588 5 40 KKBB COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2ccc([N+](=O)[O-])cc2)c1OC 150447413 UJKDWLNEQCQPCK-HSZRJFAPSA-N 673.733 5.247 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 222558057 XAWUQJYEMPGJRQ-XIFFEERXSA-N 642.778 5.511 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229787124 ZMIHIEGLVVBBGF-WFPUBZAHSA-N 571.589 5.460 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408651566 NLYKAAGRFLNNCA-IHKGIWLBSA-N 573.989 5.312 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]32)cc1 408733019 VBLUVMFKZVDQNW-QTMWPNOBSA-N 580.980 5.932 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409037525 SQTNWMQRKCSERN-SOJUGJLBSA-N 799.640 5.695 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)cc(I)c1OCc1ccc2ccccc2c1 409085271 OAPPWZQCRLZZFZ-GEYGMGCISA-N 789.648 6.831 5 40 KKBB CCOc1ccc(NCc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 409117004 VZXVJBRWJUVQIP-UHFFFAOYSA-N 548.377 6.188 5 40 KKBB COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n21 409147571 XJQZIRLBLQFZTL-QHZSLAKNSA-N 666.181 5.315 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)ccc1Cl 409167204 HVZDPJDJVACBFH-YSURURNPSA-N 690.912 6.060 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409188006 FBVCXBWZNGASMI-UAMLYEQYSA-N 740.654 7.025 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O 409242326 QQOBJVZXKQJHAA-XDHOZWIPSA-N 568.389 5.623 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cc(C)ccc4C)C3=O)cc2[N+](=O)[O-])cc1 409269764 DLPWPZPGRLEZNX-OYKKKHCWSA-N 533.631 6.346 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409270597 RBDXRYDACBHHSR-NHDPSOOVSA-N 554.968 5.428 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 409274805 YEDMVDZLUVJIHI-RGVLZGJSSA-N 513.915 5.192 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409355063 BHISDNQVCFTVAB-KEPJHFNWSA-N 692.588 5.755 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1(Br)c3ccccc3C2(Br)c2ccccc21 3181399 GIOWBTFPAZNCPA-CSKPTYFESA-N 554.194 5.005 5 40 KKBB biogenic O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 13302049 WTCSQFIIUQPWLP-ZFEPTCRASA-N 507.924 6.963 5 40 KKBB CC(C)c1ccc2oc(-c3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 14277857 HVXTWTNLPIXVEK-UHFFFAOYSA-N 504.974 7.032 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2)cc1 22825681 RHQLFQIYSPYPSN-UHFFFAOYSA-N 502.571 5.234 5 40 KKBB CC(C)(C)c1ccc(C2=NN(c3ccccc3)[C@@]3(SC(c4ccc([N+](=O)[O-])cc4)=NN3c3ccccc3)c3ccccc32)cc1 29493232 KUOGZLRGKZXQJK-QNGWXLTQSA-N 609.755 8.890 5 40 KKBB CC1=C[C@@H](CN2CCN(c3ccccn3)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 67890464 UOSYVFRWBOOBRZ-GNKBHMEESA-N 516.646 5.259 5 40 KKBB biogenic,in-vitro Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc6n(n5)[C@@H](C(F)(F)F)C[C@H](c5ccc(F)cc5)N6)nc34)c12 97948484 MGPLOAYWOIKPSY-CZUORRHYSA-N 574.514 6.796 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc2[N+](=O)[O-])cc1 100369322 LGZKPGUODCODRC-XKZIYDEJSA-N 541.448 7.053 5 40 KKBB O=C(Oc1ccc(-c2nc(-c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)c(-c3ccccc3)[nH]2)cc1)c1cccc([N+](=O)[O-])c1 102040121 UEDQFFQYNUWTIY-UHFFFAOYSA-N 599.624 7.351 5 40 KKBB COc1cccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 102439549 XDJLKWOOFBJNQF-LJAQVGFWSA-N 555.598 6.893 5 40 KKBB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)CC2)cc1 104085968 WTIMMYOLSXYRST-UHFFFAOYSA-N 605.525 6.188 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6C)o5)c(=O)n42)c2ccccc2CC3)cc1OC 104658050 KZHPOJSUOYWKTN-FVUNBJOLSA-N 605.672 5.813 5 40 KKBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1c(Cl)cccc1Cl 106716537 AROBOUZSGGRONL-GRSHGNNSSA-N 502.335 6.325 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106739359 ZSPCVIXBYNAUNI-UUYOSTAYSA-N 570.377 6.081 5 40 KKBB Cc1cc2c(cc1C)C1c3cc(C)c(C)cc3C2c2cc3cc4cc5c(cc4cc3cc21)C1c2cc(C)c(C)cc2C5c2cc(C)c(C)cc21 153534263 SEUAIFSSZRZFTH-UHFFFAOYSA-N 642.886 12.435 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC 225203411 ZKEKBDYGOSCLJS-RRPNLBNLSA-N 543.605 5.784 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 225577802 FJIYURNMKQFHFN-KAYWLYCHSA-N 526.622 5.090 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3c(ccc4ccccc34)N1[C@H]2C(=O)c1ccccc1 248079866 CORKNRFVHAWXMO-FFIOMTCJSA-N 529.552 5.329 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261070243 PMXCUUBWRMPDJC-SFRLIIPVSA-N 707.249 6.315 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 408565189 ITOVNRQMLIFZIK-NUWWLQTNSA-N 537.975 5.121 5 40 KKBB Cc1ccc(COc2ccc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3cccc(C)c3)cc2Br)cc1 408571381 OOKCDDZBKJDIMO-RUZDIDTESA-N 553.482 6.644 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408572677 RSMTWMPFNVBHMH-QWGAXZCXSA-N 542.419 5.539 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1F 408572990 SAVFKNXXRBOGHU-SANMLTNESA-N 522.602 6.111 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408678850 DNKMBACJLCYCMB-SNINSWTHSA-N 692.981 6.906 5 40 KKBB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12 408720722 XQFYNYUSOILBAY-OREYSHIXSA-N 506.558 5.619 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccccc5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1OC 408755735 FDKWZTXBPSPCOG-ZSXMQSLNSA-N 631.710 5.823 5 40 KKBB Cc1cc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc(O)c2)C3=O)ccc1Br 408757739 PZVWYSIHNVMQJE-UHFFFAOYSA-N 503.308 5.992 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408770008 RTIZOTUKEWTDEG-JOBBGBBUSA-N 724.586 5.074 5 40 KKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SC(c3ccccc3)c3ccccc3)sc2c1 408983484 KQCJBLNVCQXOOH-UHFFFAOYSA-N 523.595 6.887 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409102695 SZDHKPGVZHVPBD-GRPHBVMCSA-N 639.778 5.164 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1cccc(F)c1 409230746 FZZMNJWVFRUOEU-VXLYETTFSA-N 501.879 5.322 5 40 KKBB CCOC(=O)c1c(N(Cc2c(F)cccc2F)C(=O)OCC)sc(-c2ccc([N+](=O)[O-])cc2)c1CN(C)C 1911531003 RXZAFTDZUPTIRJ-UHFFFAOYSA-N 547.580 6.003 5 40 KKBB O=c1c2ccccc2nc(SCCS(=O)(=O)Oc2ccc(Cl)c3ccccc23)n1-c1ccc([N+](=O)[O-])cc1 3304467 JDYOHGYUACZVMB-UHFFFAOYSA-N 568.032 5.601 5 40 KKBB O=C(CSc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc(C2CCCCC2)cc1 26465733 VAYRRRCJAKGUFH-UHFFFAOYSA-N 503.520 5.634 5 40 KKBB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 104405531 ZNEGIEADZKGEAQ-UHFFFAOYSA-N 531.590 5.316 5 40 KKBB O=C(CNC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1[N+](=O)[O-] 150383140 QDOKWHGDGVYEDL-UUWRZZSWSA-N 689.790 6.775 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(I)ccc4Br)nc3c2)cc1[N+](=O)[O-] 150485975 UTAWEGRKOOSKCV-UHFFFAOYSA-N 667.279 6.296 5 40 KKBB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224417772 BRHIGFCURYGURN-DEOSSOPVSA-N 686.014 6.011 5 40 KKBB CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 224786692 NMQDWUMLNXEQOK-JSOSNVBQSA-N 594.718 7.977 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225254811 QGPOTRAOJVFNDM-WOJBJXKFSA-N 621.543 5.429 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225566700 LZHYXACCIHYEMV-HHHXNRCGSA-N 588.557 6.691 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 408566331 FIULLBUQYHCAAU-XMMPIXPASA-N 603.926 6.998 5 40 KKBB COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)cc3)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c1 408642207 MDFQTZZQCMMWMQ-UHFFFAOYSA-N 613.966 5.012 5 40 KKBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408668837 RDVJUVHFSDSUSK-GFCCVEGCSA-N 801.036 6.712 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 408733956 TUOPWCOFDWMGOY-PRLWALMFSA-N 660.502 5.989 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408735474 QLWRTLLIZDYQAZ-FGDVEMDPSA-N 720.690 6.250 5 40 KKBB CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408782251 GDHJXPUQRBMYJU-LKWZWFHSSA-N 584.492 6.497 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 408837996 BEZLXVSIQBSHQZ-DJKKODMXSA-N 617.850 7.732 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 409031815 BMAQEGVTCRQGIC-LCQSEVKBSA-N 587.654 5.062 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 409036230 AXAVPDCOHMBXKV-KEPJHFNWSA-N 601.681 5.371 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036868 WMXWMYXFUUGPOC-QEEORQGDSA-N 784.613 5.138 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409108437 VVFOPLPCNLAWDL-LMSRTUJASA-N 652.154 5.090 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409182116 JAQQANBKRNLFLU-UHFFFAOYSA-N 534.502 5.485 5 40 KKBB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 684428 UZPAEGHVFRTENU-DEOSSOPVSA-N 503.540 5.571 5 40 KKBB CCOc1ccc(NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1 786275 ABUDXSMYGAAKOY-UHFFFAOYSA-N 518.599 5.226 5 40 KKBB O=C(Oc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1)c1ccc([N+](=O)[O-])cc1Cl 1807402 SXGSNXFILKHTEI-UHFFFAOYSA-N 516.687 6.129 5 40 KKBB COc1ccc(CC(=O)Oc2c(Sc3ccccc3[N+](=O)[O-])c(C)nn2-c2ccccc2)cc1OC 2718497 XTMNWTLCYVECPZ-UHFFFAOYSA-N 505.552 5.405 5 40 KKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3215529 QFTFPCFTSJLIDR-UHFFFAOYSA-N 508.496 5.644 5 40 KKBB CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](CC)c5ccc([N+](=O)[O-])cc45)cc3)cc2)cc1 5010788 VWDLUMTWTPNZTM-UHFFFAOYSA-P 534.620 6.102 5 40 KKBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59331569 VWXDGPMPZHNNFH-UHFFFAOYSA-N 516.583 5.224 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N[C@H](CC(C)C)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 60028255 KEIYUXWRTYRVHG-HSZRJFAPSA-N 560.072 5.664 5 40 KKBB CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC 70670155 QUHKMDJLJIBVDI-JMKRLCIKSA-N 574.715 5.237 5 40 KKBB biogenic CC(C)(c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 100353106 QWZFXIZLEVLFSI-UHFFFAOYSA-N 616.495 6.084 5 40 KKBB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c(C)c(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 101027895 VYSWMDJTINTKLQ-UHFFFAOYSA-N 537.594 5.450 5 40 KKBB COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC[C@@H]2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 105052131 MLHOGHVYSQDBBU-INIZCTEOSA-N 597.512 8.064 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307918 HIXSLZJOPAHIOK-UHFFFAOYSA-N 521.986 5.783 5 40 KKBB CC(C)C1=C[C@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)N(c2ccccc2[N+](=O)[O-])C(=O)[C@H]13 105346801 YGUPHSYJUKWQMM-OSGQGAKPSA-N 520.626 5.610 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106750868 VTGVEHGHKAEIRM-MTJSOVHGSA-N 603.394 6.022 5 40 KKBB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H]([N+](=O)[O-])[C@@]2(Cl)C1 123229431 IEVVBUBYACFXQB-GJQQSYTOSA-N 510.159 7.656 5 40 KKBB CCOC(=O)c1ccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)/C(=C/c4ccc([N+](=O)[O-])cc4)NC(=O)c4ccccc4)c3)C2=O)cc1 150484964 POEHSGDNAQLDHB-LVBXYETJSA-N 664.696 5.605 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 164200296 ZESXQLOWCUWMGV-FZEVDNDPSA-N 801.510 6.608 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 164524924 YZNCEUONRJMCDF-PLNPHXOGSA-N 773.605 6.036 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223521077 KNFQZZRUIMFBSC-JGCGQSQUSA-N 723.646 5.646 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223932125 NNAZRMKZRRAITM-CCLHPLFOSA-N 635.570 5.222 5 40 KKBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224196181 LBTAXCNVFRIPDC-HHHXNRCGSA-N 533.694 5.691 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc(Cl)cn3)cc2)cc1 224784677 JMFHUYZESSVXFD-IZLXSDGUSA-N 585.114 7.157 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 225175146 YAXQQFANTVUTAR-SVBPBHIXSA-N 527.606 6.084 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408568173 SGRMJSHLZLWWEK-DPQOWFAMSA-N 542.817 5.203 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1-c1ccc(F)cc1 408570346 LAIWRBOJACNUBL-QHCPKHFHSA-N 533.412 6.711 5 40 KKBB O=C(O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408631651 AGDHDGAZVYAEIB-ZDLGFXPLSA-N 547.774 6.274 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Cl)cc1Cl 408679914 FOUBGXFYQMEUJO-QYVRTBTHSA-N 626.452 6.034 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733950 SWVXKKVDUIZEED-QUNTYYFUSA-N 664.523 6.842 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408734314 WVLFWUSPCLLEII-QFMXGDCESA-N 690.664 6.241 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408753497 JFGZZUGZPHRDIN-QZVQSRICSA-N 726.605 6.194 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n32)c1 408768089 HWFUMRVNADKYAS-QQMBNGEASA-N 884.490 6.579 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408774165 BPGXMUHAWJTTAA-SUAMDDGLSA-N 652.498 5.187 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1cccc2ccccc12 408871981 IQZNQWZIBWKAJD-PKYOQBLNSA-N 595.633 5.128 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1 408927987 ZFPVTXGUONZJFH-MFCBUNOESA-N 589.695 5.385 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 409055164 WUCNSNZHPHGBEH-UUYOSTAYSA-N 712.303 6.928 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccccc2C(F)(F)F)N1Cc1ccccc1 409149107 XLIKBDHNBWAZLF-MHZLTWQESA-N 517.507 6.975 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409167677 JPROLQFNEWCUBF-WYMPLXKRSA-N 612.458 5.928 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])c(OCC)c3)C2=O)cc1 409170540 WDOFVFKJTHFVGV-WGOQTCKBSA-N 577.615 5.646 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 409176742 WIDZDLIENDIACQ-SANMLTNESA-N 524.460 5.316 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)o1 409206013 UOOYZKVDCYOTGZ-KEBDBYFISA-N 592.811 5.954 5 40 KKBB COCCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O 409207289 RIBVBCKTXCXVJO-RQZCQDPDSA-N 547.305 5.851 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409272433 GSLVQSBGPDOBIL-JVWAILMASA-N 524.554 6.246 5 40 KKBB O=c1/c(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 1862157 RTWLAKSOYPEURA-PKYOQBLNSA-N 599.590 6.506 5 40 KKBB CCOc1ccc(NC(=O)CSc2nc3cc(C(=O)NCc4ccccc4)ccc3c3nc4ccccc4n23)cc1 2959490 MPUMSKPQTOLQLI-UHFFFAOYSA-N 561.667 6.095 5 40 KKBB Cc1ccc2[nH]c3c(cc(NCCN4CCc5ccccc5C4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 8744419 LMZJMSBHEVNLRS-UHFFFAOYSA-N 501.586 5.720 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@H]1[C@H](c2ccc(Br)cc2)[C@@H]([N+](=O)[O-])[C@H]2C=Cc3ccccc3N12 9019485 BVJVHLGHIWYVMX-JLLPCOHGSA-N 509.787 5.999 5 40 KKBB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)c1ccc(Cl)s1 12660169 PYHMHMVOMJCCAR-GHRIWEEISA-N 518.978 6.775 5 40 KKBB Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)c1 35224843 QNROSBLRTANTRA-UHFFFAOYSA-N 500.536 5.542 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 59882179 LVTKMBCTSCBMMP-NYYWCZLTSA-N 525.892 5.720 5 40 KKBB CN1/C(=C\[P@@](=Nc2ccc([N+](=O)[O-])cc2Br)(C2CCCCC2)N2CCOCC2)C(C)(C)c2ccccc21 97981015 OUUZYNIYLCBNRY-OWFRNBMJSA-N 587.499 8.039 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 100300959 PZRIXXXUSRIHDX-UHFFFAOYSA-N 554.918 6.721 5 40 KKBB CC(C)(C)c1ccc([C@H]2C([C@H](O)c3ccco3)=C(O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 104330842 QKFFWHVZRVDJSO-BJKOFHAPSA-N 595.655 5.408 5 40 KKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Br)ccc2OCc2ccc(Cl)cc2)c(Cl)c1 105250979 RXDKQFZNZPSUAH-UHFFFAOYSA-N 525.230 6.445 5 40 KKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 105311198 JYQHRCATKVMQFK-ZZXKWVIFSA-N 541.210 6.451 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 150389463 GEBHDBBRWZCTMO-KBDDUWSYSA-N 693.359 6.044 5 40 KKBB CC(C)(C)COc1ccc2c(c1)C1=NC3=NC(=NC4=NC(=NC5=NC(=NC2=N1)c1cc(OCC(C)(C)C)ccc15)c1cc(OCC(C)(C)C)ccc14)c1cc(OCC(C)(C)C)ccc13 150405299 OGIPKINBOLRCAB-UHFFFAOYSA-N 857.072 10.528 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224207200 COXFQCARCDYEPH-HKBQPEDESA-N 649.169 5.610 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224852538 MPCRYJOHPJWETG-HKBQPEDESA-N 649.169 5.608 5 40 KKBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 225272363 VDRBMCUDTFQSMY-GDLZYMKVSA-N 513.638 5.535 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225729593 PJEZLOREKCPZHN-MHZLTWQESA-N 519.667 5.240 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 247314500 JSYSUCVPWDEWLW-YGGCMVMVSA-N 576.008 6.104 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260954109 UMJAWVGUCOAVQW-UUWRZZSWSA-N 707.249 6.173 5 40 KKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccccc1F 408543600 PDQFMVRELITKSD-FPLPWBNLSA-N 510.259 5.393 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1ccccc1 408576515 XOCNWOROXYRUDP-HHHXNRCGSA-N 575.488 7.181 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Br)cc1 408647269 UYJCRHADQHBXDO-UHFFFAOYSA-N 577.174 5.200 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733216 GJPXUSCZKQJEFO-WNOXZJQASA-N 817.783 5.535 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408776759 RBFTVZMNFIQUMV-VZVSMJQGSA-N 689.790 6.555 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 408821041 BUDGBPSLNIFZFZ-NFYDWNOTSA-N 737.843 7.008 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408853376 RSXOFHNDLOZZNN-FVUNBJOLSA-N 804.517 7.285 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)cc1 408919575 BEEMZHBVWHSCHD-SUAMDDGLSA-N 589.695 5.385 5 40 KKBB Cc1[nH]nc(O)c1C(c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1c(O)n[nH]c1C 409053851 DBLCVGHQVILNQM-UHFFFAOYSA-N 687.232 5.037 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Br)cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409142226 CMKKHYOFVJVTGT-GKTKDVHMSA-N 727.431 6.119 5 40 KKBB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1Cl 409179968 RDTFTXLJFMFJHY-XMMPIXPASA-N 501.322 5.788 5 40 KKBB COC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)ccc1Cl 409275787 WWPXANCVFJEJHF-SRZZPIQSSA-N 526.910 5.214 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccc(I)cc1 409348938 UCEULEQOIIGNNT-VXLYETTFSA-N 609.785 5.788 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 409391016 XHCYWLYEQQJXCO-UHFFFAOYSA-N 508.383 5.040 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3cccs3)N4)cc([N+](=O)[O-])c2)cc1 1838692 NMLODEOFSUUBKS-REWPJTCUSA-N 573.553 6.956 5 40 KKBB CCCCC[N+](CC)(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCC[N+](CC)(CC)CCCCC)ccc1-2 9359526 VXWZYFAYPUDWIK-UHFFFAOYSA-N 552.844 7.749 5 40 KKBB COc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 10059000 CGGNDXJKOYZCAB-AMXDTQDGSA-N 510.528 5.919 5 40 KKBB O=C1c2cc([N+](=O)[O-])cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 95681894 GNGIRESQFWDUEA-UHFFFAOYSA-N 538.472 5.465 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1Cl 97965417 NJJSGDDOHKJLKD-MFUBYVTQSA-N 584.437 5.273 5 40 KKBB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 100302088 YKIPXVHGPGCIEB-RQZCQDPDSA-N 555.790 5.189 5 40 KKBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 103059988 CSPGXBDTBLRFPC-QHCPKHFHSA-N 533.046 5.574 5 40 KKBB O=[N+]([O-])c1cc([C@H](Nc2ccccn2)n2nnc3ccccc32)ccc1Sc1nnc(-c2ccccc2)n1-c1ccccc1 103763809 XKLNLHLFTPOXHM-SSEXGKCCSA-N 597.664 6.792 5 40 KKBB CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 105306554 XZORILLSLJRPBK-UHFFFAOYSA-N 561.620 5.195 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106733984 IITUCRUABPDZSD-RMORIDSASA-N 593.010 5.709 5 40 KKBB Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 106783150 SDIPLHDFNFMYAO-IWIPYMOSSA-N 569.433 6.360 5 40 KKBB Cc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cc1C 138720251 WTROKIMYYZAZIE-UHFFFAOYSA-N 505.527 5.213 5 40 KKBB Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3cccs3)n2-c2ccc([N+](=O)[O-])cc2)cc1 150455307 GTRQBQOABOYGEK-XMMPIXPASA-N 643.776 6.007 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223855635 RHYYLDDNVRUECO-NFQMXDRXSA-N 588.557 6.690 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224958264 QYVUPGULYYWBCS-MHZLTWQESA-N 659.205 5.383 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225262927 FMABVZHSGXOXTE-MUUNZHRXSA-N 740.106 7.324 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225326592 RJTZGQAYSFEYON-RUZDIDTESA-N 513.660 5.093 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225505805 BQJSGHKSGLHWTG-QFIPXVFZSA-N 631.151 5.011 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 261059255 NNAZRMKZRRAITM-HRFSGMKKSA-N 635.570 5.222 5 40 KKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 408543225 NVKRMQRFWGBHRQ-YWEYNIOJSA-N 522.739 5.504 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 408565295 BPYSBDIICKJOTH-VWLOTQADSA-N 617.953 7.388 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408570042 YFJGEKLSQGOTNF-CNBSGPCYSA-N 572.843 5.212 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408640732 IMZIQRWFELWBRW-WVZRZZCNSA-N 686.546 5.935 5 40 KKBB CC(C)c1cc(Br)ccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408738643 TWVNTMRSOLPMNP-DEOSSOPVSA-N 540.414 5.957 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408825643 DKMBUOOIEUFOGH-PKYOQBLNSA-N 594.624 5.490 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 408834444 UYUXEJZCNFWTTC-ORVZPOCUSA-N 682.980 6.010 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408852090 IBFOECBUPZNHQS-QUNTYYFUSA-N 771.484 6.598 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917173 OGAZAGZTDHRJHN-SSDVNMTOSA-N 594.270 7.480 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3cc(Br)ccc3OC)C(C(=O)OC(C)C)=C(C)N=4)o2)c([N+](=O)[O-])c1 408933337 ASAYTHBSZILFMH-ORVZPOCUSA-N 668.522 5.135 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408981606 IJJJFEFZFOGVBP-CTHKJOMYSA-N 672.115 5.774 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409052441 SMEJGSWZOGKWEJ-UCQKPKSFSA-N 650.422 6.041 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC 409108608 XDIZBTXKIUMROT-HDFSHUSISA-N 649.194 5.825 5 40 KKBB C[C@H](NC(=O)COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)c1ccccc1 409122527 ZESUXNVSSHIRTC-WZPDBAAASA-N 626.713 7.212 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 409173964 QIGJDRMBVMMGRC-HMAPJEAMSA-N 534.550 5.028 5 40 KKBB Cc1ccc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 409191871 PGWLZOGFMAWSPH-JEUHMODBSA-N 612.230 6.392 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409197267 ADRPVBDWQVCJJY-RMORIDSASA-N 675.901 5.712 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409204119 BKRYVLAEABDLCV-WYMPLXKRSA-N 646.903 6.663 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1ccc(Br)c(Cl)c1 409205899 QOHWTVQOOZYSKR-SSDVNMTOSA-N 602.850 6.265 5 40 KKBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(Br)c1OCc1ccc(Cl)cc1 409341226 AIPXEWDLXICERK-YVMONPNESA-N 522.739 5.360 5 40 KKBB CC(C)(C)c1ccc(-c2nc3oc4ccc(Br)cc4c(=O)c3c(=O)n2Cc2ccco2)cc1 11851719 CQOMHXRSHWOOPA-UHFFFAOYSA-N 505.368 5.871 5 40 KKBB O=c1cc(CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)c2c(ccc3ccccc32)o1 51103428 SXFBCEOHDQSSHO-UHFFFAOYSA-N 547.514 7.504 5 40 KKBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)c1 59883297 ZNOKJKHZYBJHJR-ZXVVBBHZSA-N 527.602 6.192 5 40 KKBB COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)c(OC)c1 70708065 DIGPJOZZTVGSGD-MRXNPFEDSA-N 553.571 5.032 5 40 KKBB biogenic COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 101346901 OYSRNMMEPGZPMG-QRVIBDJDSA-N 521.507 5.327 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105308065 XYDLLWFBKMFJGM-UHFFFAOYSA-N 566.437 5.893 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105310675 ILEBOTJYXRYHNK-UHFFFAOYSA-N 552.012 5.879 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)c(C)c1 105314052 NRERHCUEMDZNNL-UHFFFAOYSA-N 531.642 5.227 5 40 KKBB Cn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1 150507977 PVUKXAIUWBOVHI-DEOSSOPVSA-N 652.506 5.025 5 40 KKBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 205757590 RJYMBEFQSYZXNA-GIJQJNRQSA-N 510.446 5.394 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214774095 LIGRRESPLTZNHP-DJKKODMXSA-N 509.754 7.052 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 223915086 MNKUYRJNQXWSQT-IZZNHLLZSA-N 515.595 5.502 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)C 224114986 VBQZZIZEOUEGKE-RRPNLBNLSA-N 541.633 6.330 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260949250 JOJLVDDFSWFZBP-GJZUVCINSA-N 645.178 5.483 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261042880 YXHIVQQWIQYHRQ-RTWAWAEBSA-N 665.596 5.746 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261091316 UDENUHMEVXMHHD-HXUWFJFHSA-N 649.141 5.232 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408565416 BVHDRLXBPDBLJJ-XMMPIXPASA-N 529.449 6.880 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1C 408577413 ZJHBRBHRTXMZNR-DEOSSOPVSA-N 577.921 7.842 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408631134 CHLAYHBKWHCNCX-XKZIYDEJSA-N 540.529 5.507 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)S2)cc1 408781212 BIYSISGWFDDWRX-VCDQAHEJSA-N 601.435 6.228 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 408836374 QQNHIEXXWDZBTI-MFCBUNOESA-N 666.525 5.496 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408980550 FNQQLFVOGBYHEU-LHOSBTIMSA-N 750.811 5.053 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 408999639 VGTCJUWJUIYUDJ-RWTNITNYSA-N 673.339 5.492 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 409040423 IAUDBXSSNVGZJK-NBQDTTAVSA-N 643.718 5.081 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1 409104926 LHFXQXUYHBIAOK-ZDZYTSRMSA-N 726.631 5.213 5 40 KKBB CC1(C)OC(=O)C([C@@H](c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)c2c[nH]c3ccccc23)C(=O)O1 409119376 WLCXXOACQIIQEY-DEOSSOPVSA-N 579.403 6.002 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409178341 GPPMETYHPQINJA-ZDGAQAAHSA-N 608.470 5.037 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc(F)c(Cl)c1 409222296 BQWQCACWRBRRCR-ZVBGSRNCSA-N 572.914 5.763 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409265671 NOKXUPOSXQPWRX-LSHDLFTRSA-N 652.357 6.996 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1 409271905 DZCHWHFSRNDHQI-YDZHTSKRSA-N 583.416 5.864 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)C2=O)o1 409401287 SDWBKSFKDPCNOA-LSCVHKIXSA-N 625.215 5.716 5 40 KKBB O=C(O)[C@@H]1[C@]23c4c5cc6cc7cc8c9c%10c%11c%12c(c4c6c%12c79)[C@@H]4c6c-%11c7c-%10c(cc9c7c7c(cc(c(c67)[C@@]412)C[C@H]3C=5)C9)C8 627266078 ZADJNWVKEGRDBR-LZAVLFOISA-N 540.577 7.285 5 40 KKBB COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)nn32)cc1 2255889 XMBQHNOKFMFMFS-NRFANRHFSA-N 537.363 5.810 5 40 KKBB O=C(c1c[nH]c2ccccc12)[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 3323037 IBIRJHHSMCKJCP-MUUNZHRXSA-N 532.581 6.492 5 40 KKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccc([N+](=O)[O-])cc4Cl)o2)N3)C1 8920804 ARQISLFCDLMEBJ-WHEQGISXSA-N 500.020 7.540 5 40 KKBB O=C(O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NSc1ccccc1[N+](=O)[O-] 13430873 VPLWFOIAHKHZSQ-DEOSSOPVSA-N 516.644 6.370 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 21576175 JPEUDSWRXDPIPQ-UHFFFAOYSA-N 504.930 5.209 5 40 KKBB Cc1ccc(-c2nn3c4ccc(NC(=O)c5ccccc5I)cc4nc3c3ccccc23)cc1 50704716 NLYAJEILKQIEJJ-UHFFFAOYSA-N 554.391 6.868 5 40 KKBB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cccc2c1Cl 59294129 GFCPIBAYFNBTBY-UHFFFAOYSA-N 517.007 5.080 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3c4ccccc4cc4ccccc34)[C@H]2C(=O)N1c1ccc(Br)cc1 97954205 IVXWRWYERCRTMU-MPFGFTFXSA-N 549.424 6.807 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3cccc(OC(F)F)c3)CCC[C@H]2[C@@H]1c1cccc(OC(F)F)c1 97971246 YQFWNGPHKLGWOP-GDYHXJAUSA-N 654.617 7.071 5 40 KKBB Cc1ccccc1C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)N=C(c2ccccc2)c2ccccc21 100947537 RRNODGQZDXOKOO-PMERELPUSA-N 561.598 5.426 5 40 KKBB O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 102555194 LEVZZQYMTBONFN-QKDODKLFSA-N 569.957 5.519 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2nn(CC)cc2[N+](=O)[O-])[C@H]3c2ccc(OCC)cc2)cc1 103639161 JIZBZIOCNVYPER-OUCLNKRWSA-N 543.624 6.045 5 40 KKBB O=C(NC(=S)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105311098 MWJHOBWQOXLUIR-UHFFFAOYSA-N 552.012 5.879 5 40 KKBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105537134 QWUBZHROUYWTED-UHFFFAOYSA-N 535.006 6.912 5 40 KKBB Cc1ccc2nc(-c3ccc(NC(=O)CN(c4cccc([N+](=O)[O-])c4)S(=O)(=O)c4ccccc4)cc3)sc2c1 108888002 BYORFKYJRWASOU-UHFFFAOYSA-N 558.641 6.014 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 150418860 YDGNUMAVICFUHZ-ZJTZAHLKSA-N 739.557 5.577 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]23)cc1 163991361 GOVFBCNSIOCVKL-MHDNGKQISA-N 630.700 7.401 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222838789 FDRHUFMZIBOMGL-JGCGQSQUSA-N 707.647 5.965 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223908551 GPOOEQBSWVGLBW-HHHXNRCGSA-N 635.570 5.821 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224687575 DGMOFMCLWAAXSI-NRFANRHFSA-N 661.152 5.376 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224895414 ATRRZFDVOSNNEE-HHHXNRCGSA-N 520.029 5.490 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 225076652 ZBTHPYKGHJXAFB-HHHXNRCGSA-N 600.499 5.988 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225277538 LEZPYLOVYNWAAN-JOCHJYFZSA-N 506.430 5.700 5 40 KKBB CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408553524 AEWSUODYDLQYGB-HSZRJFAPSA-N 641.827 6.731 5 40 KKBB COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408556643 JWQUNNXMJUHVDT-QFIPXVFZSA-N 524.904 6.847 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 408565944 DIZVYWSFRUOERW-VWLOTQADSA-N 573.046 6.465 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 408570998 MRJICTHRHUISFC-QHCPKHFHSA-N 560.419 6.480 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408656465 SODDMMARODULDE-PLQXJYEYSA-N 561.978 5.456 5 40 KKBB O=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2ccc(-c3ccc4nc(-c5ccccc5)cc(C(=O)Nc5ccccc5[N+](=O)[O-])c4c3)cc12 408720555 UHBKAGVIZURMFS-UHFFFAOYSA-N 736.744 10.105 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)cc2)cc1[N+](=O)[O-] 408755734 MQIHOUFHZOPPAL-ISZRBDKASA-N 635.723 5.303 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OS(=O)(=O)c6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)cc1OC 408758209 WVWPFWJJJVBRIL-UHAPOFRNSA-N 681.748 5.012 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 408767298 FOPIHSIBSBTPCO-CBYYHRJHSA-N 596.086 5.000 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 408769715 ZZNNUWGXOAOSBI-FQWZWQHVSA-N 630.053 5.896 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccs1 408770218 UVEMLTDFKKOKNG-PNZYDNNZSA-N 670.563 5.118 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408779398 DOHRLIKCHUIXNC-ZSJKCPIUSA-N 731.394 5.950 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408842640 PIOCMXHGEIANDO-AFHVAHMMSA-N 638.407 5.816 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 409054543 BOQHCEQHWHLPQB-UUYOSTAYSA-N 789.773 6.184 5 40 KKBB CC1(C)OC(=O)C([C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2c[nH]c3ccccc23)C(=O)O1 409114876 JSJMUZPSUPWJGI-DEOSSOPVSA-N 579.403 6.002 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O 409161333 SYLOUGXLJJNCNP-XKZIYDEJSA-N 554.049 6.691 5 40 KKBB Cc1cccc(C)c1N1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O 409178399 HHHDRNZWGFJCEM-NDEPHWFRSA-N 534.524 5.793 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(F)c(Cl)c1 409218750 KHVBVEKVSJZXDW-VXLYETTFSA-N 501.879 5.322 5 40 KKBB Cc1c(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409382309 ZSYZHGQGNBQOBZ-NTFVMDSBSA-N 566.639 5.527 5 40 KKBB Cc1c(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 3278578 PXTLHXCACFEEIM-LBPRGKRZSA-N 535.525 6.444 5 40 KKBB Cc1cc(C)c2c(=N)c3ccccc3n(CCCCCCCCn3c4ccccc4c(=N)c4c(C)cc(C)nc43)c2n1 5580106 AMOSDDFNLDAMOQ-UHFFFAOYSA-N 556.758 7.926 5 40 KKBB O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc([N+](=O)[O-])c([N+](=O)[O-])c5)nc5ccccc45)cc3)c3ccccc3n2)cc1[N+](=O)[O-] 8434982 QDZCSJYSFJNAJP-UHFFFAOYSA-N 666.566 7.874 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccccc4[N+](=O)[O-])c3)nc2c1 16611031 XBZNDBBCTSUCDU-INIZCTEOSA-N 504.568 5.809 5 40 KKBB CC(=O)/N=c1/c(-c2ccccc2)cc2cc3cc(-c4ccccc4)/c(=N\C(C)=O)n(C(C)=O)c3cc2n1C(C)=O 68565657 VFQLMCHZZXTWRN-IUQQBYGBSA-N 530.584 5.145 5 40 KKBB O=c1[nH]c2c(s1)[C@H](c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100864385 QOGOWCLXSZOUGF-IFOTVOPNSA-N 501.029 6.229 5 40 KKBB Cc1ccc(-c2ccc(C(=O)NC(=S)N3CCN(c4ccc([N+](=O)[O-])c(N5CCCCC5)c4)CC3)o2)cc1C 105761868 QQRYTIAMERLFLY-UHFFFAOYSA-N 547.681 5.299 5 40 KKBB COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc([N+](=O)[O-])cc4)n3-c3ccccc3)[C@@H](c3ccc(OC)cc3)C2)cc1 150387830 XPJSYFQNPMYMDC-WJOKGBTCSA-N 677.743 5.593 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 163738866 LYPKHZIDSVTLNV-QYIOYSLNSA-N 666.668 5.569 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222843184 JDEIJDPIIFIPOY-FQEVSTJZSA-N 665.596 5.746 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223968965 LHESGWHETVOEDU-MHZLTWQESA-N 675.204 5.493 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224295577 PUEXBLWMZUQBDZ-WJOKGBTCSA-N 632.714 5.096 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224396763 PNQSZEPYJYNXOG-WJOKGBTCSA-N 646.741 5.484 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 224752699 UOYBPFYHNDGFDD-IHLOFXLRSA-N 564.623 7.228 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225090170 GOFHAFLBMUVVIC-JSOSNVBQSA-N 591.649 6.444 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225360073 WYBHZYXXIQKABN-DHUJRADRSA-N 767.732 7.503 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 225654737 UKCVRSQBUDPSBQ-SXOMAYOGSA-N 527.606 5.560 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)O)o1 408633837 PWAJOMXXPOKVJC-GRSHGNNSSA-N 534.333 6.438 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408683163 KOUBHBGMDJUFLI-UHFFFAOYSA-N 796.404 7.060 5 40 KKBB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1 408685070 OMSIZMKSGTVCHU-UHFFFAOYSA-N 597.194 5.753 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c1 408787062 QGJJZAUPKVNGMY-KFOJKGMOSA-N 697.169 6.032 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408998982 VOZFLWVVABGVFP-QZVQSRICSA-N 742.673 6.907 5 40 KKBB O=C1S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1CCOc1ccc(F)cc1 409058555 YQSDZQOFRGTHMH-XKZIYDEJSA-N 746.292 6.637 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409099305 KYVGFJJJGYRKCQ-YNMQQHPQSA-N 653.613 6.470 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409144517 LKMXLVMABGAIEB-ZGOFBEGVSA-N 649.198 5.223 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409159688 RUQMOWBRNDUFIF-CFRMEGHHSA-N 598.033 6.367 5 40 KKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O 409168029 KRVJSGORTDIMDG-WSDLNYQXSA-N 557.506 6.389 5 40 KKBB Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 409176667 UPJUUNQWCKNJTE-UHFFFAOYSA-N 510.502 5.988 5 40 KKBB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 409176964 CNZYCWZBBNZESP-DEOSSOPVSA-N 500.429 5.500 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 409209545 GITUEBRRDLNMSM-SRZZPIQSSA-N 545.798 6.831 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409245697 XRZSOMMQFKPCJY-SSDVNMTOSA-N 552.381 5.346 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409355808 DZCPPSMTIKWBID-SELCLYCASA-N 606.704 5.326 5 40 KKBB CCCC[C@H](CC)Cn1c(=O)c2ccc3c4c(-c5cccs5)cc5c(=O)n(C[C@@H](CC)CCCC)c(=O)c6ccc(c7c(-c8cccs8)cc(c1=O)c2c37)c4c65 1776011026 SAHPZSAVAOLELM-NSOVKSMOSA-N 779.040 11.853 5 40 KKBB COc1cc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c(OC)cc1Cl 1428253 SGYNQWFJLXZJFD-VWLOTQADSA-N 563.954 5.271 5 40 KKBB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccc6c(c5)CCC6)cc([N+](=O)[O-])c4)cc3N2)cc1 1771765 OUUUSJGFYPPMBZ-VPUSJEBWSA-N 593.562 6.994 5 40 KKBB CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n(-c2ccccc2C)c2nc3ccccc3nc12 2281681 GAWJCOBPKWGAFU-FOCLMDBBSA-N 521.533 5.619 5 40 KKBB COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3cc(C)c(C)cc3C)cc12 3328128 YXHVTIOUBJDIKA-UHFFFAOYSA-N 536.562 5.397 5 40 KKBB Clc1cccc2c(SCCCCCSc3c4ccccc4nc4c(Cl)cccc34)c3ccccc3nc12 5487926 DFADYPPFVRULAJ-UHFFFAOYSA-N 559.587 10.451 5 40 KKBB COc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nc3sc(C)c(C)c3c2=O)cc1 9058526 UHHUKWFNIFNZNL-UHFFFAOYSA-N 510.597 5.020 5 40 KKBB O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cn2c(SCc3cccc([N+](=O)[O-])c3)nc3cc4c(cc3c2=O)OCO4)cc1 33357893 XBXHNNRLFMUJLT-UHFFFAOYSA-N 624.631 5.033 5 40 KKBB COc1ccc(/C=C2\CCCC3=C2N=C2SC=C(c4cccc([N+](=O)[O-])c4)N2[C@H]3c2ccc(OC)cc2)cc1 100816591 XIYQZVIVCWYYNM-XCXVXJFUSA-N 537.641 7.592 5 40 KKBB CCOC(=O)c1c(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)n(CCc2ccccc2)c2nc3ccccc3nc12 102945731 IYSUEVLCCAAIHR-NXVVXOECSA-N 535.560 5.564 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 105979418 WCCAMAFKRQNVFZ-FMCGGJTJSA-N 528.945 6.211 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163624198 LKIMHMWOHZQWDA-RWTNITNYSA-N 757.368 6.897 5 40 KKBB Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)C(C)C)c1 167231396 MGRXYAWZHPPKMD-JOCHJYFZSA-N 565.681 5.013 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222838944 KVHDBOONLOZUSW-JGCGQSQUSA-N 707.647 5.965 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)o2)cc1 224656803 NRHJATBRHNGDEU-FQLXRVMXSA-N 534.597 7.219 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 224681604 IGDTVRZVELNHPT-XZWHSSHBSA-N 547.640 7.058 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 224681708 RXUPJFXWOINTIK-KYJUHHDHSA-N 547.640 7.058 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260816106 UGIXJPRVBKMELA-JOCHJYFZSA-N 675.179 5.766 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 408565260 BLSJUQVIVKMWFA-DEOSSOPVSA-N 577.465 7.109 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Cl)cc1 408568396 UHEFEKKQDLUNOE-AFUCOJPPSA-N 538.431 5.935 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1 408571035 MZFOGJNFAKLYRU-RUZDIDTESA-N 525.030 6.317 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 408571636 PIISKZTZZYSUAY-DEOSSOPVSA-N 559.019 6.075 5 40 KKBB Cc1cc(Br)ccc1-c1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1cc(C(=O)O)ccc1C)C2=O 408757754 QOCDLKLWXXCKJC-UHFFFAOYSA-N 545.345 6.293 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408823224 NGDHARIPLPJJBS-SUAMDDGLSA-N 682.980 6.010 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408838060 QYZSDYLXOGOYRF-PKYOQBLNSA-N 594.624 5.490 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409047545 USIPLDRUQGTKKC-LMWPEEHHSA-N 756.617 5.543 5 40 KKBB O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 409058553 YQLQKRJFRFAOOZ-UHFFFAOYSA-N 528.801 5.385 5 40 KKBB O=C(Nc1cc(Oc2cccc(Cl)c2)cc([N+](=O)[O-])c1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 855932 HXYNJXJQFOTUCB-UHFFFAOYSA-N 554.872 6.416 5 40 KKBB CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 2147784 JQBYQHSTUUAWQB-XMMPIXPASA-N 523.607 5.014 5 40 KKBB biogenic O=C1c2cc(I)ccc2N[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1c1ccc(Cl)cc1 2746130 HQCLKIGGYARMNO-HSZRJFAPSA-N 571.758 6.884 5 40 KKBB Cc1ccc(Nc2nc(COC(=O)c3ccccc3Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cs2)cc1 3352489 FETHSEKCUQWVCF-UHFFFAOYSA-N 545.564 7.630 5 40 KKBB CCCCN1C(=O)c2c(Oc3ccc(Br)cc3Br)cc([N+](=O)[O-])cc2Oc2ccccc21 3620501 PSRHPBJDZHLKQX-UHFFFAOYSA-N 562.214 7.465 5 40 KKBB CC1=NN(c2nc(-c3ccccc3O)cs2)C(=O)[C@H]1C(c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)N(c2nc(-c3ccccc3O)cs2)N=C1C 8426233 RQAQYGIIOXPHEP-ULJKERAFSA-N 679.740 6.414 5 40 KKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@@H]2c2ccc(OCc3ccccc3)cc2)no1 13571657 FYLWCYZMNNUARW-NDEPHWFRSA-N 514.537 6.571 5 40 KKBB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 100396999 MTVNKWODCQLNET-UHFFFAOYSA-N 532.552 7.259 5 40 KKBB O=C1[C@H]2C[C@@H]3[C@@H](C[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C1(Cl)Cl 100704653 FOKXNSDHYMSFQJ-GKPLEWNNSA-N 545.033 5.572 5 40 KKBB CCOC(=O)c1c(-c2ccccc2)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(OCC)cc3)cc12 102628727 ZKGMLBUWJASEMW-UHFFFAOYSA-N 614.632 6.619 5 40 KKBB COc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)c5cc6ccccc6o5)CC4)cc3)o2)c([N+](=O)[O-])c1 104085331 LZRLGBJYBGKRDI-UHFFFAOYSA-N 566.570 5.824 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6cc([N+](=O)[O-])ccc6OC)o5)c(=O)n42)c2ccccc2CC3)cc1 104656863 DWRWGQUESOCMGL-NBQDTTAVSA-N 591.645 5.504 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccccc1OC(C)C 108966100 FBHVDGWFSULKDE-OGMUYLFESA-N 562.691 5.892 5 40 KKBB COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(F)c4)n3-c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc(OC)cc3)C2)cc1 150387779 YHKURWCHCTTZLY-WJOKGBTCSA-N 695.733 5.732 5 40 KKBB CCN(CC)CCSc1c2ccccc2nc2cc(NCC(=O)Nc3ccccc3-c3ccccc3NC(=O)CNc3ccc4c(SCCN(CC)CC)c5ccccc5nc4c3)ccc12 150436636 MGMMTXISMOFAAL-UHFFFAOYSA-N 915.246 11.725 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222958491 CEFPZVBRKLZPGK-JGCGQSQUSA-N 697.641 6.509 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223244751 NDFFVAFULCMNCN-NDEPHWFRSA-N 624.760 5.138 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223875142 WHLXWMLSZSQOMF-MUUNZHRXSA-N 679.623 6.138 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224316733 KQKVEPZZQLKAOB-RUZDIDTESA-N 554.043 5.190 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225434974 ACFWJVAUEVYCHO-AREMUKBSSA-N 508.018 5.347 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225461420 NNDGRVKOUCIBOM-LJAQVGFWSA-N 614.595 7.224 5 40 KKBB COC(=O)c1cccc(Cn2cc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c3ccccc32)c1 408545208 ZXAMNOLOALBSNZ-QFEZKATASA-N 527.558 5.621 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1 408556711 LFOMNQKVEXFZAW-UHFFFAOYSA-N 504.324 5.789 5 40 KKBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 408664998 ZBPCFWFOBIUMQL-ZVNQEMBASA-N 636.444 5.558 5 40 KKBB Cc1cc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(Br)cc3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C 408757904 SBPWYWSCBYNQCB-QQMBNGEASA-N 638.543 6.866 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)o1 408868091 LIWPMWRNNFAALV-JAIQZWGSSA-N 531.468 5.857 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc2ccccc12 408877040 SOIGKXZSCOJQIJ-FUFNRSNVSA-N 644.503 5.882 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 409036738 LYBAYEYALMFEHL-UQDCTOEPSA-N 666.550 5.826 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 409094366 DUAMYDYEWOZZGU-YDZHTSKRSA-N 564.532 5.369 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)o2)cc([N+](=O)[O-])c1C 409165561 ZNFAIASSPBPUBZ-WSDLNYQXSA-N 505.552 5.763 5 40 KKBB COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409176330 KTNNEQJRGGBTHM-UHFFFAOYSA-N 533.320 5.701 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409180113 VUIPCIWUKITHBQ-UHFFFAOYSA-N 659.142 5.508 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 409187772 BVPODJOAGVHLAD-PYCBVSLESA-N 777.281 5.815 5 40 KKBB COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 409193173 DLZAJKXFJYNZTD-VIYYDIFJSA-N 737.647 6.347 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 409263814 CEJUMZIXWYTOKF-FOKLQQMPSA-N 650.429 7.460 5 40 KKBB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409380887 PTBNPIVQVCKXON-OAQYLSRUSA-N 530.400 5.704 5 40 KKBB Cc1sc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n(-c3ccc(Cl)cc3)c(=O)c2c1C 8837808 VGKUAMXNPFHTJD-UHFFFAOYSA-N 500.989 5.356 5 40 KKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4ccccc4Cc4ccccc4)o3)nc12 13644108 WQGLNUXNIVKYRO-UHFFFAOYSA-N 517.614 6.934 5 40 KKBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCCCC3)c2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 15946706 ZLCGDTDDENPRLI-GOSISDBHSA-N 512.676 5.874 5 40 KKBB COc1ccc(Oc2ccc(/C=C3\CCn4c3nc3scc(-c5ccccc5)c3c4=O)cc2[N+](=O)[O-])cc1 97981381 KCTACSBHHKATKU-HMMYKYKNSA-N 523.570 6.778 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2ccccc2F)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 100358671 FKHUEKPAIQNTBW-WSDLNYQXSA-N 543.370 6.312 5 40 KKBB CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@]2(S1)c1ccccc1C(c1ccc(CC)cc1)=NN2c1ccccc1 102659652 VDDPEXCTDWMXRW-YTTGMZPUSA-N 577.666 6.670 5 40 KKBB C[C@@H]1CC[C@@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@]43C)[C@@H]2[C@@H]1C 104131415 ZVZUAPRVZSTVHG-MXLXGGFZSA-N 620.831 9.706 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H](c3c4ccccc4cc4ccccc34)C2=C(O)C1 104162581 QIYFFIQWFDOFDL-UMSFTDKQSA-N 522.648 9.099 5 40 KKBB CC[N+](CC)(CCOc1ccccc1Cc1ccccc1)CC[N+](CC)(CC)CCOc1ccccc1Cc1ccccc1 104451692 STRCMBUIAHAQCM-UHFFFAOYSA-N 594.884 8.039 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3O)nc2c1 105304603 AIGPCBGUIYJUTK-UHFFFAOYSA-N 542.573 6.619 5 40 KKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 105318994 NADPPGXGSHUPEG-RMKNXTFCSA-N 555.462 6.514 5 40 KKBB Cc1ccc(C(=O)Nc2c(Br)cc(Br)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 105319495 MTSVZNWDZVMNLF-UHFFFAOYSA-N 547.228 6.957 5 40 KKBB O=c1/c(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 150362855 VMAQFJFSBJWACY-FHQMNNMHSA-N 735.479 7.392 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cccs1 197563794 RXRUZLYRAOBKIA-QFDNUGPTSA-N 618.092 5.819 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)N1CCOCC1 214305602 OWBQIJWLINQBQV-VXLYETTFSA-N 616.368 5.064 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223290080 KTEUYAPTGCJBTQ-MUUNZHRXSA-N 624.760 5.138 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223521140 KNFQZZRUIMFBSC-YTTGMZPUSA-N 723.646 5.646 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224330516 YSXAZUSTHHRPQY-NRFANRHFSA-N 665.596 5.603 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)o2)c1 224656600 CLCXURXJMHDUGY-FQLXRVMXSA-N 534.597 7.219 5 40 KKBB COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224792834 VXIYMZPVPUPUGL-XZWHSSHBSA-N 607.717 6.895 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C 225167326 LGGJEPSXANOWBW-SVBPBHIXSA-N 526.622 5.615 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225231459 JHAQGYSJIFAOHA-FTJBHMTQSA-N 529.578 5.012 5 40 KKBB CC1=C[C@@H]2N(c3ccc(C)cc31)[C@H](C(=O)c1ccc(C)cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 229873993 XLAZJFUBGHRGIC-ZHTWWQSJSA-N 583.644 6.458 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260891925 RLDBAVNWYJKTFX-MGBGTMOVSA-N 693.222 5.925 5 40 KKBB C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)c(CCC(=O)OC)c4C)[C@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC 271779166 YTZALCGQUPRCGW-HPJJWIKHSA-N 718.807 6.719 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 408565999 DMHXONGNNQORRP-QHCPKHFHSA-N 628.763 7.988 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 408571046 NAKODEFGYOMNTR-QHCPKHFHSA-N 549.867 7.225 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)cc2)n1-c1ccc(F)cc1 408571874 PSVWDILFPCKIKU-QHCPKHFHSA-N 543.418 6.166 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408680748 GHXYOAOUKWZGAD-HCXPYDJZSA-N 598.442 6.351 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 408725416 HWVUKIYWWRETSD-SLZKQOKCSA-N 665.724 5.456 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5c(OC(=O)c6ccc([N+](=O)[O-])cc6)ccc6ccccc56)c(=O)n42)c2ccccc2CC3)cc1 408755739 FDPLUMPSUQLIMO-GQFYKFLTSA-N 665.727 6.608 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(F)cc1 408806769 BSBJJNRKNNPKIW-FQWZWQHVSA-N 630.053 5.896 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408851126 ITHLDPOWWBRSJH-FUFNRSNVSA-N 587.654 5.062 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408943533 TUXXBBXVRVFZPR-VPHSIRQSSA-N 710.578 5.974 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c2=O)=N1 409032178 LEVICGMGSRKKIM-QPJBPQEWSA-N 608.072 5.409 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409092042 XDLCYFUNDDYXAW-YDZHTSKRSA-N 609.433 5.175 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 409097184 MRBSPTXDHVLZGV-BUVRLJJBSA-N 533.562 5.248 5 40 KKBB COCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409128152 DPCYCSCPIVPZCF-LICLKQGHSA-N 572.231 5.382 5 40 KKBB CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409133993 RGOABUAXNQNTEK-AREMUKBSSA-N 570.760 5.919 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)ccc1Cl 409159983 OSJPNMLAOSJZAW-SSDVNMTOSA-N 613.004 5.296 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 409181934 GVMAAPFJUAYOPG-UHFFFAOYSA-N 512.449 5.684 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409220877 HFUZHWZXYZQZSR-SSDVNMTOSA-N 571.970 5.650 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409266436 YSXUVOHBIOCRLZ-FSJBWODESA-N 604.479 5.240 5 40 KKBB COc1ccc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1COc1ccc([N+](=O)[O-])c(C)c1 1792446 RAWZGESMSUPYKV-YTTGMZPUSA-N 549.627 6.786 5 40 KKBB biogenic Cc1ccc(-c2csc(NC(=O)c3ccc(Cn4cc(Br)c([N+](=O)[O-])n4)cc3)n2)cc1C 2742815 UBWCDICZONBVOW-UHFFFAOYSA-N 512.389 5.595 5 40 KKBB CCC1=C(CC)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(CC)=C5CC)c(CC)c4CC)c(CC)c3CC 4208852 XFIIGRBIXXECHR-UHFFFAOYSA-N 534.792 10.026 5 40 KKBB COc1ccc(C(=O)[C@@H](OC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c2ccccc2)cc1 13857797 FRZYRPSIDRDUQS-MHZLTWQESA-N 510.502 5.637 5 40 KKBB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 21576660 ACMRSVBBKHBGRV-UHFFFAOYSA-N 526.977 5.218 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc(Nc3nc4ccccc4nc3NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 96022749 OWPBOELLPNIDPY-UHFFFAOYSA-N 542.533 5.658 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 100070660 BXNQDLCKVQPSKL-ZSAJNUMDSA-N 616.673 7.092 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1cc(OCC)c(OCC)c(OCC)c1 101176865 XYVIETVCMFEJON-GXVXDJONSA-N 602.688 5.268 5 40 KKBB CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103288076 RWNXCLOGXUGYJO-HATVSKDLSA-N 599.643 6.365 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OCc6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)cc1 104657126 GZALSBOZEVXHOH-ACHQHTMYSA-N 601.684 5.815 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(c5c(F)c(F)c(F)c(F)c5F)CC4)c(Cl)c3)cc2[N+](=O)[O-])CC1 105302970 HRKJGKCMWCTUJS-UHFFFAOYSA-N 624.010 6.759 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)c1 111467889 DYIOSDZOGNZAJG-JLKMOJGBSA-N 606.660 5.359 5 40 KKBB CCN(CC)CCCn1c(=O)c2ccc3c4ccc5c(=O)n(CCCN(CC)CC)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 139566234 UVZLJIGEPPKPHR-UHFFFAOYSA-N 616.762 5.427 5 40 KKBB COc1cc(-c2ccc(-[n+]3nc(-c4cccc([N+](=O)[O-])c4)nn3-c3ccccc3)c(OC)c2)ccc1-[n+]1nc(-c2cccc([N+](=O)[O-])c2)nn1-c1ccccc1 150370594 ZFMQIJLDGPDNRV-UHFFFAOYSA-N 746.744 6.236 5 40 KKBB CC1(C)[C@]2(Cl)C(Cl)=C(Cl)[C@@]13[C@@](Cl)(c1ccc([N+](=O)[O-])cc1[C@@]1(Cl)C(Cl)(Cl)[C@@]4(Cl)C(Cl)=C(Cl)[C@]13C4(C)C)C2(Cl)Cl 150480144 HEOLJZCXUWKCNQ-KQFPAPQFSA-N 774.825 11.238 5 40 KKBB COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc2c1OCO2 150484830 XNMDGEPMZDDYMH-JLSAEOQRSA-N 666.668 5.166 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222799544 RVQLGYRRQCIUKG-YTTGMZPUSA-N 707.647 5.965 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223808657 VROOWDATFPFDRH-UVMFRMCBSA-N 751.700 6.424 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223911300 LPRDMUAMMHBEKX-NFQMXDRXSA-N 588.557 6.690 5 40 KKBB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccncc1 224763887 QLOSRGOKXGWNGW-FIRIVFDPSA-N 592.750 7.180 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224791097 FUCMNMZIXVWSGW-SFHVURJKSA-N 504.052 5.348 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224795352 HPAKDJHPMKPICN-JOCHJYFZSA-N 613.136 5.310 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1F 225622901 OVYLFPUNTJMJQH-IZZNHLLZSA-N 531.569 5.390 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 245226206 KPTWWPRFVYUFGL-CTOUCQIYSA-N 544.947 5.709 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 260938603 CMTDMDUMDRACFW-MGBGTMOVSA-N 737.275 6.324 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260942343 IUWOBWLUDPSBJH-IBVKSMDESA-N 714.068 6.789 5 40 KKBB CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C 299888461 KBPHJBAIARWVSC-XNMDAKKHSA-N 568.886 10.403 5 40 KKBB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1 408526731 ASTNCVSRQVLRBN-UMSFTDKQSA-N 618.715 7.378 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408557740 OPDLZTPARFZVEN-UHFFFAOYSA-N 533.291 5.977 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1 408571088 NKYVJWBJBHIQJC-QHCPKHFHSA-N 563.894 7.533 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C(=O)O)n[nH]2)c1 408631813 GOWOPWPMENYBMW-KSEXSDGBSA-N 534.550 5.194 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)c1 408639138 VJOPMIWAUIFZCP-VWLOTQADSA-N 608.647 7.390 5 40 KKBB CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1OC 408837780 NKNKQUIJVQWWSJ-CRCYZHLCSA-N 618.509 5.397 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)c1 408931857 RCRUHZXCBQXKGJ-UUYOSTAYSA-N 755.328 6.366 5 40 KKBB CCOc1cc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 409006225 ZDHJPZKEKQRBNT-JAIQZWGSSA-N 522.897 5.219 5 40 KKBB CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)N(CC(=O)OC)C2=S)cc1 409054509 AWEONKRQUPVRIF-OYKKKHCWSA-N 783.382 6.093 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409141450 HZGJQQDXWTUCNK-JOCHJYFZSA-N 644.577 5.950 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409166700 GCAVPVYLHAVMJQ-FQEVSTJZSA-N 567.455 5.077 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O 409180346 WOUZPPMROSGNEU-UHFFFAOYSA-N 544.519 6.698 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409182499 LYPNSMRGBLDCRX-WSDLNYQXSA-N 534.550 5.083 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)o1 409374388 OITNPAQFGZMTGJ-WSDLNYQXSA-N 521.551 5.464 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc(Br)cc4Br)c([N+](=O)[O-])c3)C2=O)o1 409400298 NWGSALVIGLKWPD-WSVATBPTSA-N 714.117 5.934 5 40 KKBB CCCCCCSc1nnc2c(n1)O[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC(C)=O)N(C(C)=O)c1ccccc1-2 8453141 LPCXXPLNOWXHNG-AREMUKBSSA-N 567.624 5.497 5 40 KKBB Cc1ccc(NC(=O)CSc2nnc(-c3cc4c(C)nn(-c5ccccc5)c4s3)n2C)cc1[N+](=O)[O-] 13401688 SMPWGDCPTJSFHM-UHFFFAOYSA-N 519.612 5.138 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)/C=C/c5ccccc5)CC4)cc3)cc2[N+](=O)[O-])CC1 29746972 WSDIOJVTIXMPSE-VGOFMYFVSA-N 553.663 5.445 5 40 KKBB CCOc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OCC)C1c1ccc([N+](=O)[O-])cc1 73243006 DZZXHBJIEDKMAS-UHFFFAOYSA-N 556.619 5.904 5 40 KKBB COc1c(Cl)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1Cl 100217489 PURVSTMLJFXKRX-JKIDVQQISA-N 587.548 6.889 5 40 KKBB O=[N+]([O-])c1cccc2c(N(C[C@@H](O)Cn3c4ccccc4c4ccccc43)S(=O)(=O)c3ccccc3)cccc12 101192433 KDMVACOEYJCAFK-QFIPXVFZSA-N 551.624 6.112 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccccc1Cl)[C@]21C(=O)Nc2ccccc21 102550412 NWWPPZXHZYEGEJ-WFPUBZAHSA-N 590.035 6.494 5 40 KKBB Cc1oc(-c2ccccc2)nc1CN(Cc1nc(-c2ccccc2)oc1C)[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 102787222 VZWYOBMIHGPVQT-VMPREFPWSA-N 554.603 5.618 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 103546912 CELMTJHKWOYMKC-CLWMVSBGSA-N 600.587 5.749 5 40 KKBB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 105316795 JJKKLXGGBVAPCA-UHFFFAOYSA-N 556.044 5.084 5 40 KKBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)c1cccc(C(F)(F)F)c1 108324089 PLTKKZZEEBPBKR-UHFFFAOYSA-N 537.516 5.073 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 150395688 AFEUNGOQMHDEJL-QAYABBAVSA-N 692.602 7.133 5 40 KKBB O=c1/c(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 163768232 QDQCIDXOXSSIAI-QQMBNGEASA-N 647.625 5.836 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222726017 BPBZKAGFQKMTRN-HHHXNRCGSA-N 665.596 5.746 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222968971 MMDIAIOQWLGAPS-MHZLTWQESA-N 635.570 5.080 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223877972 HHVRDXRHNWZHCS-CAQRMWTPSA-N 776.139 7.622 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224217479 QOPKWTGOQOSRGB-PMERELPUSA-N 636.771 5.282 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261028188 WJXLGCQDGGPSBW-PGUFJCEWSA-N 753.705 7.113 5 40 KKBB Cc1noc(/C=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)c1[N+](=O)[O-] 408540981 AKPGIVWYJPMELR-SREVYHEPSA-N 512.129 6.305 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1Cl 408573639 TZIVKSXSXBJBCO-VWLOTQADSA-N 525.030 6.235 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2cccs2)cc1 408639993 HAFCANJJLGFHLP-XNGOEPGBSA-N 778.237 6.562 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 408640495 IFQMHRQIHASAMW-HGMMTPDKSA-N 638.460 5.782 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408642747 FDIHMXHEEIVVFS-MOVYAIRMSA-N 634.428 5.168 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408734280 WEIQISSBALHACU-HJUDQDPUSA-N 644.489 5.291 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(Br)cc3)C3=C(N=4)c4ccccc4CC3)cc2)cc1[N+](=O)[O-] 408755256 CHQCNDSIDLOJCS-FVUNBJOLSA-N 714.619 6.066 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408759508 GHYOJKOYKSWFDY-QZROFMJUSA-N 741.778 6.233 5 40 KKBB CC(=O)Oc1c(I)cc(I)cc1/C=c1/sc2n(c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408771404 HUZFLFNVFILVTA-LNXFQTKESA-N 775.362 5.361 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 409034965 OUEADHURCBHIGT-UNDLXJOSSA-N 592.677 5.018 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CC1CCCCC1 409124105 JDUZYZDRRUAXRR-LPYMAVHISA-N 531.428 6.553 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409137133 WMFJMWQEFFPZIC-NRFANRHFSA-N 575.489 5.135 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409165832 AMNNSUZDCJBMNO-YDZHTSKRSA-N 646.903 6.663 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)NCCSCc1cccc(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409172756 IEOXAXFPDWNMJV-UHFFFAOYSA-N 578.112 5.119 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409176944 BWFSDSGDXICRJL-SANMLTNESA-N 501.516 5.209 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 409190646 UKLSISCPRATZOO-JLKMOJGBSA-N 747.324 6.900 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409198134 XXLXNZITOBLPOC-DHRITJCHSA-N 717.494 5.623 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)Nc1cccc(F)c1 409232647 AVUKITIQLNZXGR-SSDVNMTOSA-N 633.395 5.593 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 409264924 MWNPCAWPDZJZLN-AUEPDCJTSA-N 652.306 7.171 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409272594 NNMJEVYRZLHCLB-WYMPLXKRSA-N 538.965 5.755 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 409332930 SLOGEWINAGNQJJ-WSDLNYQXSA-N 525.970 6.307 5 40 KKBB c1ccc(-c2nc3ccc4c(-c5ccccc5)nc5ccc6c(-c7ccccc7)nc7ccc2c2c7c6c5c4c32)cc1 1776010801 MZJWHFDKZGYNJD-UHFFFAOYSA-N 531.618 10.105 5 40 KKBB COc1cccc(/N=c2\ssc3c2-c2cc(C)cc(C)c2N(C(=O)c2cccc([N+](=O)[O-])c2)C3(C)C)c1 2290276 LYPVRMGZRMERKO-WCTVFOPTSA-N 531.659 7.138 5 40 KKBB CC[C@@H]1CCc2c(sc3nc(SCC(=O)Nc4cccc([N+](=O)[O-])c4)n(-c4ccccc4)c(=O)c23)C1 2352142 DUVAEBKYQUAELV-MRXNPFEDSA-N 520.636 5.601 5 40 KKBB Cc1cc(-c2ccc(NC(=O)c3ccc(F)c([N+](=O)[O-])c3)c(C)c2)ccc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 2738415 BIEVOIPVQAKRAB-UHFFFAOYSA-N 546.486 6.570 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1 6280745 CXBHTXIRHYEPIH-UHFFFAOYSA-N 508.991 5.480 5 40 KKBB CC(C)[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 8449509 HROWTBLKVBYFHV-HENCCVJXSA-N 696.348 5.251 5 40 KKBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1Sc1ccccc1 14411903 XFFJMHYGPBHZOC-UHFFFAOYSA-N 519.604 5.580 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 22833448 UDQIUAPMDINNRM-CQSZACIVSA-N 508.987 6.697 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(C=CC(c3ccc(Cl)cc3)=NN2c2ccccc2)S1 97951167 CZIBABMZPORTAG-SANMLTNESA-N 533.997 5.813 5 40 KKBB Cc1ccc(S(=O)(=O)N2C/C(=C\c3ccc(COc4c(C)cccc4Cl)o3)c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 100202360 MOWSNXIQAJCAJF-XDHOZWIPSA-N 596.017 6.695 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccc(Br)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2=C(O)C1 101065933 VBHQXDCUONYMSJ-SANMLTNESA-N 546.421 7.464 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 101673751 UJXJYYUZGWGZMW-GGKJBDKJSA-N 571.589 5.585 5 40 KKBB O=C(Nc1c(-c2ccccc2)nc2sc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cn12)c1ccc(Cl)cc1 102619435 AGLXPZUCWUACJH-UHFFFAOYSA-N 538.994 5.710 5 40 KKBB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1ccc(F)cc1 102744126 GUCSZVFFEVMVRB-CCDWMCETSA-N 533.899 5.698 5 40 KKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105311326 QCHODDIKFOMEBH-UHFFFAOYSA-N 547.662 5.997 5 40 KKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2nc(SCc3ccccc3)sc2c1 105659299 OTFUOIAAARDQHU-UHFFFAOYSA-N 524.674 6.837 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl 106739033 UJGLDILTOIDTRM-MSXFZWOLSA-N 559.427 7.116 5 40 KKBB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1 113563952 RQJOMYREQLAQJK-ZWMLJNOUSA-N 622.659 5.437 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(C(=O)OCC)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163626867 PRESDCLZYVBUOB-RISWYLRJSA-N 794.986 6.421 5 40 KKBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223942332 NFFGIMGOOSZQTB-INIZCTEOSA-N 524.470 5.611 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224988684 INUPGMNXNLAJQR-WJOKGBTCSA-N 693.620 5.717 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225180927 NXKKDOZTDZBTTO-QFIPXVFZSA-N 657.587 5.419 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 225654754 UKCVRSQBUDPSBQ-RRPNLBNLSA-N 527.606 5.560 5 40 KKBB Cc1ccc(COc2c(Br)cc(CNc3cccc([N+](=O)[O-])c3)cc2Br)cc1 408558751 VLPYCJWPDNZIFV-UHFFFAOYSA-N 506.194 6.619 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(F)cc1 408565266 BLUIUWHMXYVFOM-QHCPKHFHSA-N 516.957 6.196 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]23)cc1 408733021 VBLUVMFKZVDQNW-VLQWODCGSA-N 580.980 5.932 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 408832801 RIJUIFOOVVQGDS-UQDCTOEPSA-N 648.535 5.356 5 40 KKBB Cc1c(Br)ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccccc2)C3=O)c1C 409002876 XALORRNEICCPPI-UHFFFAOYSA-N 516.351 6.672 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 409139346 CWSKBDXWFKEVGR-CFEDROAVSA-N 649.754 5.402 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl 409157299 IHESKJKCQIISHK-AUEPDCJTSA-N 665.986 6.530 5 40 KKBB CCOc1ccc(-c2cc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c3ccccc3n2)cc1 409180436 SQNOYOGUKFLMBF-UHFFFAOYSA-N 520.541 7.358 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409188003 FBVCXBWZNGASMI-ITNPZBTBSA-N 740.654 7.025 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409203517 YLWODVBPMXBTBR-SRZZPIQSSA-N 622.824 6.681 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409252942 YGUBIEYOPQZKAB-LICLKQGHSA-N 556.232 6.145 5 40 KKBB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 409273446 QXZWXLXREHJMLU-ODLFYWEKSA-N 505.346 5.065 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 832724 IQAYAFZLRVHTAS-AGTZKDDFSA-N 558.546 5.031 5 40 KKBB COc1ccc(C)cc1S(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1 20448316 HOMLQKOAACQELV-UHFFFAOYSA-N 511.581 5.204 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 38204004 HXVRMIWYMBDCEM-XBFTVGRRSA-N 522.605 5.868 5 40 KKBB COc1cc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)ccc1NC(=O)c1cc2ccccc2o1 97945310 XPBOCBUOSOBIQK-UHFFFAOYSA-N 521.938 6.722 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br 97997089 QAKNOOSLYLTUCQ-UHFFFAOYSA-N 616.325 7.270 5 40 KKBB Cc1ccc(NC(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H](C(=O)Nc3ccc(C)cc3C)C(=O)C[C@]2(C)O)c(C)c1 100239245 AVGYFSCQMANWHE-JGLCYXNFSA-N 543.620 5.146 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccs1)[C@]21C(=O)Nc2ccccc21 102544713 KUEKYYDBCBGJPW-QODLHPCFSA-N 561.619 5.903 5 40 KKBB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 103067806 YSCYYRYIOWGLQE-OAQYLSRUSA-N 542.539 5.361 5 40 KKBB CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2c3ccc4c(c3CC[C@@]21C)CC[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C4 104131500 FNAULHYKPTWGRS-TVMVMSQUSA-N 576.734 8.372 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306600 WICFTPQDRZBQJI-UHFFFAOYSA-N 537.985 5.020 5 40 KKBB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3O)oc2c1 105310870 IETBWSZMDQNQBK-UHFFFAOYSA-N 531.594 5.534 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105322758 FQIGPVPTPQHBNF-UHFFFAOYSA-N 561.511 5.469 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 150390905 FLSINFJHMHQELY-CBYYHRJHSA-N 640.537 5.451 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 214817095 SIMFQKCKARLSQP-FSJBWODESA-N 638.323 7.878 5 40 KKBB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223857535 ULNRPUIKHGWZKA-SFHVURJKSA-N 671.987 5.621 5 40 KKBB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1cccnc1 224765528 DBTUWUGTCXQBGM-LOYHVIPDSA-N 578.723 7.121 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225579569 BTXARDGXJPTELF-MHZLTWQESA-N 665.596 5.233 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)cc2)c1 408566743 GALQXNUOLOREHI-NDEPHWFRSA-N 510.619 6.726 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 408575512 WLNGCWBVDZJVDZ-HHHXNRCGSA-N 587.529 7.587 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408616970 DMDYARVKZODGHQ-UHFFFAOYSA-N 548.017 5.186 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408660818 WYNBMHLKYXPPJO-DZUWIXTPSA-N 722.666 5.855 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733743 PNGJVIHHEOQBKR-ZJTZAHLKSA-N 661.048 5.788 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OS(=O)(=O)c6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)cc1 408757874 RCDKTMVZJMGALK-UTAOYMJKSA-N 651.722 5.003 5 40 KKBB COC(=O)c1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)o2)cc1 408841475 JIAMPOFYEGTMNJ-JLHDDXNDSA-N 589.629 5.274 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408845852 ZQARQNWBIGKRGT-QCHPHUCNSA-N 617.989 5.471 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC 408947619 QLZQMVWQISSQJD-UONGPDOGSA-N 729.005 5.719 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409010644 CSDXMNZEHFIJCO-YZSQISJMSA-N 714.538 5.172 5 40 KKBB O=C1S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1ccccc1Cl 409054991 OWNBLOAAZXDDDD-JAIQZWGSSA-N 718.694 7.277 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409076082 XNKZRSYBDIREEG-SRZZPIQSSA-N 556.344 5.177 5 40 KKBB Cc1ccc(Cn2cc(/C=C3\SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)c3ccccc32)cc1 409274535 PFMIJZPFWORXEB-WGARJPEWSA-N 511.559 5.825 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 409351720 YOVHNQGCTIPHON-FQEVSTJZSA-N 565.483 5.761 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)o1 409385200 IJNUOOKERUQPFL-KEBDBYFISA-N 563.371 6.097 5 40 KKBB COc1cc2c(cc1OC)[C@@H](COc1cccc(C(F)(F)F)c1)N(C(=O)c1ccccc1[N+](=O)[O-])CC2 3006811 MKXQYBWAQWKLMC-JOCHJYFZSA-N 516.472 5.449 5 40 KKBB C[C@@H](Nc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 96022107 GKIOLGDHUXLMRI-IQXYJCRJSA-N 544.740 6.872 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(c1ccc(C)cc1)=NN2c1ccccc1 97950425 OTXKOWCSBFGVDN-PMERELPUSA-N 533.613 6.442 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1 101213095 FVWZUVLOVQAJFF-SGNDLWITSA-N 507.930 5.088 5 40 KKBB CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OCc1ccccc1 101519660 SEYMZTBNRWSFSB-NGDRWEMDSA-N 565.582 5.624 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(F)cc1)[C@@]21C(=O)Nc2ccccc21 103557900 DPAPWPGRWVQXGD-CDACFMRSSA-N 573.580 5.980 5 40 KKBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cccc1-c1nc2cc(Cl)ccc2o1 105306295 SRKKBQCYMIGKMY-UHFFFAOYSA-N 552.012 5.328 5 40 KKBB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC[C@]5(C)[C@H]3CC[C@@]21C 123232114 FGAOHUMBQGSZQZ-DMSBWUDOSA-N 596.765 8.281 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163625708 MSJDKWIKKVZDKV-MFUBYVTQSA-N 801.819 7.006 5 40 KKBB O=c1/c(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 163777034 RZTPSJZGZADZHN-MIUGUJGPSA-N 829.479 7.077 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222568301 VARRQUCZAKKMOP-SSEXGKCCSA-N 683.158 5.286 5 40 KKBB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223263158 OJKMNOBKZVIBDG-QHCPKHFHSA-N 671.987 5.621 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224568330 GZSICAXCFBVMGH-RUZDIDTESA-N 574.461 5.455 5 40 KKBB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NC(=O)C(C)(C)C 225119563 GVDOJIXOJLNVPX-RRPNLBNLSA-N 571.659 6.420 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225392322 LQOSYLHCLBHDLN-LJAQVGFWSA-N 563.695 6.056 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408563865 BFRQKFBLGRCHLM-SQOVJYTMSA-N 617.294 5.321 5 40 KKBB Cc1ccc(COc2ccc(Br)cc2[C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1 408575044 VRMFVHKYJYJVBV-XMMPIXPASA-N 573.900 6.989 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408639601 GBJMASUTSLWCAB-UHFFFAOYSA-N 600.927 5.485 5 40 KKBB Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=c3/sc4n(c3=O)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)c2c1 408788706 GCOBSFQMTNPASE-QKKPVXTHSA-N 608.723 6.992 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408838644 YXEOHXLSYRJWJR-LWUPDDLQSA-N 563.657 5.117 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 408994875 HLJRDQLZXWHFCM-OINPTKSXSA-N 658.157 6.479 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409108281 ZHRGQCFWQZBDKY-DDIUQFJASA-N 658.802 5.489 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409142920 FQJPAGBLDLHXSP-VPHSIRQSSA-N 675.789 5.062 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409169534 QNJQWFWIFFVGBJ-ZMOGYAJESA-N 601.559 6.788 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(CNc3ccc(Cl)c(Cl)c3)cc2Br)cc1 409194852 DAOPOJFKOYIKMK-UHFFFAOYSA-N 561.057 7.618 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409346240 LNRQZTDKNIMJOW-DYCDSJFESA-N 808.478 6.904 5 40 KKBB COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3 4097448 JFXBEKISTKFVAB-AJQTZOPKSA-N 652.832 7.452 5 40 KKBB biogenic,world CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)c2)cc1 20044429 VESMJMYYDADAEK-ZTKZIYFRSA-N 519.601 7.324 5 40 KKBB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(-c3cccc([N+](=O)[O-])c3)o1)CN(Cc1ccccc1)C2 32641992 AZWUULVQYXZFGH-CJLVFECKSA-N 517.541 6.658 5 40 KKBB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 32967229 LNVMERNJPZMIRT-HXUWFJFHSA-N 519.545 6.315 5 40 KKBB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cc([N+](=O)[O-])ccc1Br 33625354 QVPBTSAJHBHSTF-UHFFFAOYSA-N 500.692 5.064 5 40 KKBB O=C(c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23)N1CCN(c2cccc(C(F)(F)F)c2)CC1 70708110 QHBDOQVXTRCLED-UHFFFAOYSA-N 526.518 5.573 5 40 KKBB biogenic COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)Nc4nc5ccccc5s4)cc3c3ccnc2c31 70708140 FSYIUGQIGHRUGD-HNNXBMFYSA-N 550.596 5.625 5 40 KKBB biogenic COc1ccc(C(=O)Nc2cc3c(cc2[P@@](=O)(Nc2ccccc2[N+](=O)[O-])N2CCOCC2)C(C)(C)[C@@H](C)N3C)cc1OC 97984783 ZRBSCHOKDSRFGB-OFJKMLNTSA-N 623.647 5.243 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O)Nc1cccc(C(F)(F)F)c1 100231020 YUESFRFTHSNGMU-GRSHGNNSSA-N 551.886 6.202 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 103557450 HNXUXIGIRRUIAS-OVDFTCDZSA-N 547.592 5.512 5 40 KKBB CC(C)(C)NC(=O)c1sc2c(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cccc2c1Cl 104098884 WMSYRESVDLGLQO-UHFFFAOYSA-N 557.053 6.378 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222954145 SXIDCCBJJJEVNL-AREMUKBSSA-N 542.463 5.856 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224420525 GPEBUVWLUXVCRS-WJOKGBTCSA-N 693.620 5.719 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 224907211 IKHSKIHKFIXPOL-LJAQVGFWSA-N 627.163 5.022 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 224996172 GLSHOGKNICWMGE-WDYNHAJCSA-N 573.122 6.847 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1 254310786 WHEJTLXYTPCBRZ-NZYDOKDJSA-N 554.861 8.238 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1cccc(F)c1 408567145 GPAJSEBRJYBQNE-AREMUKBSSA-N 522.602 6.111 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 408570737 LZNBZWBTLLDAFM-RUZDIDTESA-N 593.920 7.624 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408681721 ILAMDFJMFMVESS-WVZRZZCNSA-N 697.098 5.190 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408722880 HKDRDMCOYZVNMP-MFUBYVTQSA-N 584.437 5.273 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4C(=O)O)cc3s2)cc1C 408750188 LJFJMUPOUFPLMH-UHFFFAOYSA-N 536.591 5.503 5 40 KKBB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 408753096 HSWHDMKYSFJXCT-DSOCELCXSA-N 524.576 6.685 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 408825448 DCLWLTKCYLTROZ-NKYAOSOXSA-N 679.629 5.679 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408829924 NJQRQRKQZMPSDH-NPNXEGEYSA-N 660.752 5.987 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c2=O)=N1 408992026 QAVKRRFPEJDOEX-KYRGTEIWSA-N 686.196 6.789 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(c4ccc(C)cc4)c4ccc(C)cc4)[C@H]3C2=O)c([N+](=O)[O-])c1 409045811 IELSYJJUGRHMIF-BYSIJJKSSA-N 506.558 5.644 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1cccc2ccccc12 409048948 UQNDQAQGSGSYJZ-UAMLYEQYSA-N 857.464 6.648 5 40 KKBB O=C(COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)NCc1ccccc1 409116910 MSARYBGVWBNKCJ-PSXMRANNSA-N 612.686 6.651 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409143153 VCUOMXWIKMYNHR-QTTRZTASSA-N 640.772 5.402 5 40 KKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O 409159092 PYTALCRULSTOQB-WSDLNYQXSA-N 534.506 5.279 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 409182739 NJSZPFWDXKFMIZ-FSJBWODESA-N 650.429 7.406 5 40 KKBB Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cc2)cc1 409183498 UFDOJFDHZFHIRP-UHFFFAOYSA-N 544.947 6.641 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 409333537 KHAGEJIQOPIXET-YVBHXKDBSA-N 674.529 6.297 5 40 KKBB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409380884 PTBNPIVQVCKXON-NRFANRHFSA-N 530.400 5.704 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCc3ccc(Br)cc3Br)C2=O)o1 409399029 HFBIQJVBSSZHQD-OCKHKDLRSA-N 635.221 5.171 5 40 KKBB O=C(Nc1cccc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 3142789 BJALHBSELHNUGV-UHFFFAOYSA-N 590.548 7.592 5 40 KKBB O=c1oc2c(c(O)c1Sc1cc(Cl)c(Cl)cc1Cl)c(=O)n(-c1ccccc1)c1ccccc21 8384871 GDWZNJLARDXVEH-UHFFFAOYSA-N 516.789 6.914 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 8437092 PTJSQLMMPYEKSG-GEYGMGCISA-N 636.129 6.468 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)N1C(=N2)C(Nc2ccc(Cl)c([N+](=O)[O-])c2)=Nc2ccccc21 102443551 BQYOEARIDZSTLY-WJOKGBTCSA-N 616.125 8.835 5 40 KKBB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)CC2)cc1 105317345 VJCFZBZEOMWVNY-UHFFFAOYSA-N 569.643 5.252 5 40 KKBB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 139305705 MYYCJJWNRGEPOV-UHFFFAOYSA-N 545.046 5.601 5 40 KKBB O=c1/c(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163219634 XOIBRILUXUYXMU-KFOJKGMOSA-N 729.450 7.331 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1OC 163276437 AIOKPPIGFLRHKI-YIDORKBYSA-N 662.680 5.945 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c2=O)=N1 163460417 URMWENVTZSDBTN-HCGJZGQXSA-N 736.894 8.735 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C 215018136 WZCHTRYYIQHHNV-DHRITJCHSA-N 626.485 6.237 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224135260 KXHMDUAIIIFBAE-MHZLTWQESA-N 657.189 5.627 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224687279 UXVCPAYUDCRHFI-QFIPXVFZSA-N 631.151 5.012 5 40 KKBB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224789175 NCJRHRIKUQETMU-LOYHVIPDSA-N 599.137 8.540 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c(OC)c1 224822648 WDWBUQZCCRUXSN-FTJBHMTQSA-N 532.578 5.453 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 225653637 ZHIGTMSJGNRRPK-RRPNLBNLSA-N 526.622 5.090 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260911025 DMFBEJJRIJSEFI-UUWRZZSWSA-N 751.700 6.282 5 40 KKBB COC(=O)c1cccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c3ccccc32)c1 408541710 FJPDHQBJDLUWOO-QFEZKATASA-N 527.558 5.621 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1cccc(Cl)c1 408565135 BHJCUXFLFNFUQN-OAQYLSRUSA-N 529.818 6.970 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408565426 KQFOKNTZAAFJTR-XABOBXATSA-N 598.881 5.745 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 408569562 JNINGQXZYQDZIH-QHCPKHFHSA-N 589.899 6.689 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408573681 UBJSQRBQMIYEFH-AREMUKBSSA-N 573.502 7.279 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408755326 KCHYZACWNDQUAI-TVRVIFGSSA-N 756.631 6.203 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408827059 CFYZARAJKIQPMV-QUNTYYFUSA-N 800.584 5.807 5 40 KKBB O=c1/c(=C\c2c(OCc3ccccc3)ccc3ccccc23)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408828402 MZMQGHKXGSQCBA-GQFYKFLTSA-N 621.718 6.959 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C(F)(F)F)ccc3OC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408881838 NYJOWOAWNXXRAC-MSXFZWOLSA-N 710.481 7.037 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917457 UVKLWKMQGGDMLO-CVKSISIWSA-N 622.440 7.168 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408940164 OEOITRBOZOXDBC-YVBHXKDBSA-N 644.662 5.194 5 40 KKBB CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)N(C)C2=S)cc1 409044516 GTXMYCNCAJRTTP-HAHDFKILSA-N 568.449 5.939 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 409082049 LPHRVKIKRNEPAD-GVMLUORFSA-N 807.404 5.495 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 409094179 CRMZCYLOTDSARR-YDZHTSKRSA-N 785.354 6.457 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)c(C)c1 409176161 JEEFXHLXDNEAML-FSJBWODESA-N 548.533 5.587 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 409179049 OXKLJMDYETYIAM-TUUBTQOTSA-N 572.184 5.144 5 40 KKBB O=C(Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 1005641 DYBDCORXJUXDRN-UHFFFAOYSA-N 507.375 5.436 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 2072800 KOFRPLBNIWRXEZ-RWTNITNYSA-N 584.437 5.273 5 40 KKBB CCCCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)N(C(C)=O)c1ccccc1-2 2094460 AOIQEUPIBKKLNR-VWLOTQADSA-N 552.012 6.697 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)N[C@H]1c1ccc(Oc2ccc(OC)cc2)c([N+](=O)[O-])c1 3418700 OFYJNVAEDGNHJN-VWLOTQADSA-N 537.956 6.157 5 40 KKBB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 9892476 MJYOSISUEITLDS-XBXARRHUSA-N 512.397 5.271 5 40 KKBB O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)/C(=C\c2ccc(F)cc2)CCC1 96022378 FPHYAICONJDWSC-ARWXIEIMSA-N 541.579 5.669 5 40 KKBB O=C(COC(=O)c1cc(-c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)nc2ccccc12)c1cccc([N+](=O)[O-])c1 102517319 RBSAETZWHYSOQO-OUIXTEOLSA-N 575.577 5.385 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 102632128 PPNVQVKTXJOTAB-WLBIZTAVSA-N 565.413 7.493 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 103841561 HPCBQBBNCRNBJX-NULZLWRNSA-N 549.583 5.626 5 40 KKBB COc1ccc(OC)c(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3cc(OC)ccc3OC)C2c2cccc([N+](=O)[O-])c2)c1 104240806 XVBBPKZFXQQXKW-UHFFFAOYSA-N 588.617 5.141 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 105306563 HKDMZELFKVXWCE-UHFFFAOYSA-N 545.621 5.490 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306667 YCAYKOPIUPYARD-UHFFFAOYSA-N 572.430 5.673 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 110384775 HFLXZVDRGFTFOL-UHFFFAOYSA-N 547.589 5.538 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 150394898 NWEDEECMNBODHI-QZVQSRICSA-N 633.726 6.536 5 40 KKBB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccncc1 224763976 QLOSRGOKXGWNGW-IOWSJCHKSA-N 592.750 7.180 5 40 KKBB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224788194 PHTYVGMLGYKRIX-LOYHVIPDSA-N 599.137 8.540 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225084920 QYKUVKXCMRELJX-XIFFEERXSA-N 709.652 6.796 5 40 KKBB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 245226351 SLXHHNJUAYBDEO-PWAJYCBGSA-N 516.937 5.931 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccc(C)cc3)=C2c2ccc(C)cc2)c([N+](=O)[O-])c1 253575293 ULAFCUFWTKBHAX-YSSMVSIISA-N 660.726 7.409 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl 408635692 HIJNZLCQFOIMGH-UHFFFAOYSA-N 510.355 5.028 5 40 KKBB CCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)cc1OCC 408710484 TYFPPXZSCWZOQU-UHFFFAOYSA-N 533.566 5.415 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n21 408953064 ONEHONHAZRWNOX-DHBMHUTOSA-N 707.386 6.433 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408997570 RVOXCVLNICRBBI-MDINZUHSSA-N 815.686 7.159 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409011147 MKRMZACUYSWEEN-VPNURPJOSA-N 535.416 6.170 5 40 KKBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O 409014638 XSWPCUWGHVDCBR-MQMKENTISA-N 626.425 5.165 5 40 KKBB CCOc1cc(CNc2cc(C)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409118484 NLZDSVINCLBZNH-UHFFFAOYSA-N 532.378 6.406 5 40 KKBB CCCN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c2ccccc21 409136313 TWEHODFWILJDFB-NDENLUEZSA-N 572.253 6.996 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409222172 BZQYXDSVKBIOHF-FOKLQQMPSA-N 571.970 5.650 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 409230101 BMZPDGVPSHJSLR-FYJGNVAPSA-N 554.481 5.500 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409258089 TURYVWQNAHOMML-UHFFFAOYSA-N 603.278 5.815 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409273547 ZADVZCFERRSNST-WYMPLXKRSA-N 676.929 6.672 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C 409273990 BEROKSQTBHUGQU-YSMPRRRNSA-N 575.599 5.239 5 40 KKBB O=[N+]([O-])c1ccc(COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2Br)cc1 409368735 KGCDUDIPQUQREA-UHFFFAOYSA-N 526.456 5.430 5 40 KKBB CC1(C)Cc2c(c(-c3ccccc3)nc3sc4c(SCc5ccc([N+](=O)[O-])cc5)ncnc4c23)CO1 1868603 MLCMZPIDOVGUEL-UHFFFAOYSA-N 514.632 6.958 5 40 KKBB CCn1c2ccccc2c2cc(-n3c4nc5ccccc5nc4c4c(=O)n(CCCOC)cnc43)ccc21 2312646 MWKUINOTZMREQD-UHFFFAOYSA-N 502.578 5.448 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 8432502 KZRBEASXDOMJFR-UHFFFAOYSA-N 667.225 8.437 5 40 KKBB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 12559658 KOSDZVKENJHQKY-HDZIZNEQSA-N 516.941 6.593 5 40 KKBB COc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 59331575 KUXZRNAFUUXQRL-UHFFFAOYSA-N 517.567 5.139 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(Br)cc3)cc12 98048384 FNQUNAGPICOOOR-UHFFFAOYSA-N 587.404 5.624 5 40 KKBB CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(C)c3)nn12 105308152 PLRKVNQHCUDTLR-UHFFFAOYSA-N 533.595 5.019 5 40 KKBB O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 161991055 APGAXOHEGOJTSF-UHFFFAOYSA-N 618.307 6.485 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1 205699939 MMMGGBQXJCIXNP-YDZHTSKRSA-N 510.955 6.072 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 215106619 YNOAVKSZFUFFGP-FOKLQQMPSA-N 668.868 7.206 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 222537468 RLHMZMQDOVMYPB-BHVANESWSA-N 763.313 6.858 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222674853 BRPYDBXMCFTBMD-HHHXNRCGSA-N 554.112 5.894 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223803438 VNYCOJXXTIDEKW-FNZWTVRRSA-N 598.494 5.300 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224776612 ACISQQBVBYMFKJ-UMSFTDKQSA-N 719.260 6.459 5 40 KKBB Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c(Br)c1 224788720 IFPLCYJUZYHQQJ-KYJUHHDHSA-N 643.588 8.649 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225667074 YJVXMZUQERLADI-NRFANRHFSA-N 665.596 5.603 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Cl)c1OCc1ccccc1F 408565000 AXYUXMTYNOOEEW-XMMPIXPASA-N 543.020 6.374 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(C)cc1 408566314 FHHZKXMKCNRELC-SANMLTNESA-N 504.612 5.890 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)cc1 408571398 OPWPBQQFGMQPCR-RUZDIDTESA-N 508.575 5.803 5 40 KKBB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1 408639043 DZCYIGBXYARHJV-LLVKDONJSA-N 789.025 6.578 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730099 NBMLCAUYBCTQHG-ZJTZAHLKSA-N 650.496 6.533 5 40 KKBB COc1ccc([C@@H]2C=C3c4c(ccc5ccccc45)OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@H]32)cc1 408730796 HVWKTSBXFLPKIR-BJPINVTDSA-N 576.561 5.287 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(F)cc1 409012761 KLJYDFALEPWCTH-CIAFOILYSA-N 526.318 5.168 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c2=O)=N1 409043302 DTKXIGTTXRDVBK-FQKMCRJQSA-N 686.968 6.171 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409084588 WVWGNCHMSLFTGR-INJWXVQMSA-N 682.549 5.445 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409142897 DYWIAMHZQYJXQK-AHNSQEAUSA-N 684.199 6.055 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)C2=O)ccc1Cl 409170677 WGEYWRIEBXJZSY-LGJNPRDNSA-N 685.067 6.589 5 40 KKBB Cc1ccccc1OCC(=O)Nc1cccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 409181531 CSXWSHAVQFJBRE-UHFFFAOYSA-N 512.518 6.070 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409207491 VELGMOFTCFJXCA-JJFYIABZSA-N 568.995 5.818 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc5ccccc45)C3=O)o2)c([N+](=O)[O-])cc1C 409275115 YPCYWEMCFNFRRO-QFEZKATASA-N 527.558 6.300 5 40 KKBB Cc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@@H]2C1=O 1316350 WUEIGWUXFIVMAO-KCHLEUMXSA-N 549.539 5.174 5 40 KKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(I)c1 2418260 ZKPOZRRFFYEAPI-UHFFFAOYSA-N 523.378 5.469 5 40 KKBB O=C(c1ccccc1)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 4417850 YXQFNZKRHRLICH-HHHXNRCGSA-N 593.437 6.857 5 40 KKBB CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 33358524 GZIFXSNRLVTFIW-UHFFFAOYSA-N 536.632 6.157 5 40 KKBB N=C1NC(=O)/C(=C/c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)S1 100474594 VQZIMJYJQRXBMY-ACAGNQJTSA-N 567.137 6.070 5 40 KKBB CCOC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4C)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)sc2c1CCCC2 100799393 GAKOOUXIFVPRHC-DSITVLBTSA-N 561.616 5.071 5 40 KKBB Cc1ccccc1C(=O)CN1C(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N=C(c2ccccc2)c2ccccc21 100947419 MTMHQWHDZWUUFN-LJAQVGFWSA-N 582.016 5.771 5 40 KKBB O=[N+]([O-])c1ccc([C@H]2Nc3c(Br)cc(Br)cc3C(c3ccccc3)(c3ccccc3)O2)o1 101055632 COGDKXHRLMQHPW-QHCPKHFHSA-N 556.210 7.146 5 40 KKBB COc1cccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)c1 102439545 XDJLKWOOFBJNQF-GDLZYMKVSA-N 555.598 6.893 5 40 KKBB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccc([N+](=O)[O-])cc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 102754532 WHORAWYKUZATPJ-JCYYIGJDSA-N 549.539 5.174 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(Br)cc3)N3c4cc(Cl)ccc4C=C[C@@H]3[C@@H]2C1=O 103973904 DENCGNQTUBKZOH-WUEDSLEZSA-N 592.833 5.592 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c2=O)=N1 104676689 PTJCODWNKUTHQF-UNDLXJOSSA-N 599.709 6.179 5 40 KKBB CCOc1cc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 105135701 ACTPTKGANFSQKI-DEDYPNTBSA-N 537.322 5.320 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)c(Cl)c1 105304619 VKBFEFBBVOGNRZ-UHFFFAOYSA-N 532.965 6.752 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306160 CPYCHDCXSNKIKJ-UHFFFAOYSA-N 570.458 6.827 5 40 KKBB O=C(NC(=S)Nc1ccc(I)cc1C(F)(F)F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105314714 URNFPODAXNQXSS-UHFFFAOYSA-N 578.354 5.335 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1F 106697531 LMHCDAXXQMAURU-FBHDLOMBSA-N 574.340 6.433 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 111469482 CPEVBIUOHJARMX-JQTKYWOZSA-N 595.608 5.243 5 40 KKBB O=[N+]([O-])c1cc2c(cc1I)[C@@H]1[C@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150389181 LWWGOSNUXCTQNH-DNZYXDGPSA-N 844.613 10.304 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 150492583 OYNDZYVLFLHDJA-JGAIACPSSA-N 656.072 5.486 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 215024048 WLRODZWVIHFREO-YDZHTSKRSA-N 521.507 5.327 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222576798 MVBGDTKWKZOTBS-MHZLTWQESA-N 631.151 5.093 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224232174 CHIOVEUWMAFJQI-YTTGMZPUSA-N 642.778 5.653 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224541962 KOKFOCLUSDBPPD-WJOKGBTCSA-N 683.614 6.263 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224878666 IYVKHDDMHBNMHA-DHUJRADRSA-N 719.260 6.459 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl 224972768 NKJPTVZBHFKFIF-RPBOFIJWSA-N 536.997 6.098 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225536819 RCJOEHYVQVLTEY-HKBQPEDESA-N 679.195 5.455 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260966590 HYTYXBFVHVMLLM-PSXMRANNSA-N 698.842 6.114 5 40 KKBB COc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408632653 GKWUKDUUKFIEKW-XKZIYDEJSA-N 539.953 6.104 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633631 LAKNKKXIWSALKH-XKZIYDEJSA-N 524.986 6.621 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408677494 BYTOQKUTKYXFCA-QYVZARNFSA-N 547.542 5.184 5 40 KKBB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408842953 KRFLRSNBMWXXSY-VCHYOVAHSA-N 618.248 7.443 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5sc6c(c5c(=O)n4-c4ccccc4)CCCC6)cc3s2)c([N+](=O)[O-])c1 408982760 JRKCNGYCUNRALN-UHFFFAOYSA-N 744.902 7.314 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 409041417 VTJFCLMQNJLVSL-LCQSEVKBSA-N 666.550 5.826 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1CCOc1ccccc1 409051375 LJPUFXPBOVUCGE-HAHDFKILSA-N 510.955 5.943 5 40 KKBB O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccccc4S(=O)(=O)N3Cc3ccccc3)cc2)cc1 409130621 INIRELQXMZFUKY-HHHXNRCGSA-N 501.564 5.489 5 40 KKBB Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc1)C2=O 409177543 BUECZCHMKNKYQG-UHFFFAOYSA-N 559.534 6.401 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409184415 XWVYNKRWFMUETI-GDLZYMKVSA-N 536.584 6.926 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409260759 VVIWHIOPFGSDSK-AFUMVMLFSA-N 687.512 6.469 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409269828 FHHWJIVTZGUNIK-LSFURLLWSA-N 586.485 5.257 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2cc(Br)ccc2O)c(C)c1 409412485 OSQOCEULYQSBNP-UHFFFAOYSA-N 554.426 5.658 5 40 KKBB CCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)c1 9892495 XMGXBUNUMRRHKJ-DJVZTSSTSA-N 532.685 5.973 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cnn6c5N[C@@H](c5ccccc5)C[C@@H]6C(F)F)nc34)c12 97945896 INDMANXMLOJNSL-GDBMZVCRSA-N 538.534 6.360 5 40 KKBB O=C1[C@H]2C[C@@H]3[C@@H](C[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C1(Cl)Cl 100704656 FOKXNSDHYMSFQJ-CGGLRXCLSA-N 545.033 5.572 5 40 KKBB O=c1sc2c(n1-c1ccccc1)S[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H]2c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl 100872061 RIYNVJGXIKZELI-JLPLMJKDSA-N 577.127 7.692 5 40 KKBB Cc1cc(SCC(=O)NC(NC(=O)CSc2cc(C)c3ccccc3n2)c2cccc([N+](=O)[O-])c2)nc2ccccc12 100913077 PWRPHHCTVIWKMR-UHFFFAOYSA-N 597.722 6.124 5 40 KKBB Cc1csc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccc(OC(F)F)cc2)n1 101140496 ATKDBLKSBIAPKZ-UHFFFAOYSA-N 517.539 5.545 5 40 KKBB O=C(Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1)c1cccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 101653614 LUELYBBIGWGQJY-UHFFFAOYSA-N 555.431 6.514 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)Nc2nc3c(C)cc(C)cc3s2)ccc1Cl 102230886 GCTXUIZLMQJNRA-UHFFFAOYSA-N 547.014 5.536 5 40 KKBB CN1C(=O)[C@@H](C(c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H]2C(=O)c3ccccc3N(C)C2=O)C(=O)c2ccccc21 102899169 SUVFUFALJBPNIU-SVBPBHIXSA-N 583.984 5.543 5 40 KKBB O=C(NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 103021740 RDSBZXMZMCDLGH-LPYMAVHISA-N 565.032 5.991 5 40 KKBB O=C(NCCN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O)c1cc(-c2ccccc2)nc2ccccc12 103021759 WSPMPNSOWZVHGO-XYGWBWBKSA-N 524.558 5.276 5 40 KKBB C[C@H]1C[C@@H](N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 105513265 RWJJXSVSKATMDR-SMSORMJASA-N 564.598 6.188 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]32)c2ccc(OC)cc2)cc1 112254175 PITKDJZMYYQOJQ-NFFAYCCRSA-N 508.530 5.036 5 40 KKBB CC(=O)O[C@H]1C[C@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1 118913742 BGSZAXLLHYERSY-GVEBOJPGSA-N 557.840 5.966 5 40 KKBB in-man CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1C 139819776 GQISYSQKHSFODZ-NRFANRHFSA-N 586.099 5.358 5 40 KKBB Cc1cccc(CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 214639589 JRZFCEJFTFLRAC-WSDLNYQXSA-N 514.481 6.951 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224460442 XPJWDRZUNBDDKJ-SANMLTNESA-N 598.563 6.145 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225164767 MWLBTLDRMKECKK-LJAQVGFWSA-N 627.163 5.700 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225570140 IRLNLKHKBLCCHI-YTTGMZPUSA-N 697.641 6.653 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1F 225622762 VNJAXTJHYULFLP-UIOOFZCWSA-N 531.569 5.390 5 40 KKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3nc4cc5c(cc4n3c2=O)n(Cc2ccc(Cl)cc2Cl)c(=O)n5Cc2ccc(Cl)cc2Cl)o1 227149481 INPIGYPXODMHMY-WWXMDWTASA-N 793.472 8.460 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)[C@@H]3[N+](=O)[O-])cc2Cl)cc1 408564756 FTZSNZBQWLIBQL-FODJJAHYSA-N 512.393 5.403 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408566611 FTARANYDIBVMEY-XMMPIXPASA-N 570.027 6.143 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 408571018 MTVUCKWOKQQSSS-VWLOTQADSA-N 543.020 6.456 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 408571102 NNDTXLWDSYBYHF-GDLZYMKVSA-N 619.541 7.579 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408682129 IXTCFASPLVJSCX-QYVZARNFSA-N 563.997 5.698 5 40 KKBB CC(C)C[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408691184 YQTKTHQYKXRJRU-LBPRGKRZSA-N 577.204 5.401 5 40 KKBB O=c1/c(=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408757336 MFIFYYIKOJOQDA-HVDVVURSSA-N 700.592 5.757 5 40 KKBB O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408839068 MKQITPYPJBJGCA-XDHOZWIPSA-N 572.165 5.684 5 40 KKBB Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccccc4OC(=O)c4ccc([N+](=O)[O-])cc4)C(=O)O3)sc2c1 408849661 ZUQYECLTNHCNTH-CPNJWEJPSA-N 518.934 6.335 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408925084 IYWHVAGUUVBCQG-HAVVHWLPSA-N 568.438 6.882 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1cccc(Cl)c1Cl 408990599 LCYUJWSLMBISGG-WCNLKWBDSA-N 673.581 6.367 5 40 KKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c34)C2=O)cc1C 408993077 BZDAKHFUELMCRT-UHFFFAOYSA-N 544.405 7.288 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccccc5)C(=O)[C@H]34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409147842 ZPNDYJBQQRUQDB-DWSHBKIDSA-N 736.806 5.218 5 40 KKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(COc2ccc(Br)cc2)cc1 409179721 SAEXHVBBWPGPSJ-UHFFFAOYSA-N 510.369 6.312 5 40 KKBB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O 409198631 IWDQOHNYNDRPNM-UFWORHAWSA-N 603.369 6.404 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)c4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])cc1C 409227778 WRODOGFDAWWDCC-JJFYIABZSA-N 541.379 6.153 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 409240298 GIEHKTHUAAWUMK-YDZHTSKRSA-N 598.431 5.620 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)o2)cc([N+](=O)[O-])c1C 409275433 UMZDZRCERXPSGD-ZMOGYAJESA-N 517.563 5.093 5 40 KKBB O=C(NC(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 1765055 LPIDYYWYWZKITP-UHFFFAOYSA-N 588.895 5.200 5 40 KKBB Cc1ccc(C(C)C)c(OCC[N+](C)(C)CCCCCCCCCC[N+](C)(C)CCOc2cc(C)ccc2C(C)C)c1 4215523 HDFVMCZXNURVCU-UHFFFAOYSA-N 582.958 9.282 5 40 KKBB in-man COc1cc(-c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 100521854 LIFZZXUKJJXUIE-UHFFFAOYSA-N 570.558 5.550 5 40 KKBB biogenic O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cc(-c2ccc(Br)cc2)nc2ccccc12 102280358 ZXUVMBUITNTJAN-UHFFFAOYSA-N 536.381 7.281 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 102661705 OBXHCNWPQHUSOZ-QBXGXDJLSA-N 616.626 6.356 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc([N+](=O)[O-])ccc6C)o5)c(=O)n42)c2ccccc2CC3)cc1 104656900 XIXQBFILBHFBQK-DDIUQFJASA-N 575.646 5.804 5 40 KKBB Cc1ccc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c1 105312369 JICAKLDQVNBNHL-UHFFFAOYSA-N 536.013 6.092 5 40 KKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105314353 JEDUSGHJANARIP-UHFFFAOYSA-N 548.584 6.177 5 40 KKBB COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]32)ccc1OCc1cccc(Cl)c1 105912923 SRBGMCBGEUXJBO-FIXSFTCYSA-N 610.069 5.381 5 40 KKBB C[C@H](c1ccccc1)N([C@H](C)c1ccccc1)p1oc2ccc3c(c2c2c4c(ccc2o1)CCCC4)CCCC3 136753698 FGFFWGDLHSFEDX-CLJLJLNGSA-N 547.679 10.508 5 40 KKBB COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1OC 150387831 IFJAAWXEZQOTRU-SANMLTNESA-N 683.772 5.654 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223658335 VDYNNZKVIIFVIS-YTTGMZPUSA-N 713.640 6.190 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl 224065980 ZHEBUOOAKWTQIO-UIOOFZCWSA-N 550.040 5.636 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 225577608 IWTBOGOJRQFRGA-SXOMAYOGSA-N 526.622 5.090 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225636667 HCYLETQTWGVIML-MUUNZHRXSA-N 549.693 5.393 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3)[C@H]2C1 254310780 WHEJTLXYTPCBRZ-CSVGHWBYSA-N 554.861 8.238 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 408565768 MCQILYCHOHJUDX-HTZSSYRZSA-N 578.463 5.481 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408684500 NPTFGWYOSSDENM-HCXPYDJZSA-N 547.542 5.184 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408837302 BTYZAOPLAZDQGG-UNDLXJOSSA-N 624.650 5.580 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409011093 LZDAHCQIOSSTHO-OVVQPSECSA-N 728.565 5.562 5 40 KKBB CC[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O 409012751 KKXIHXLVNDCWSU-NPNVKNKFSA-N 521.389 5.780 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409029402 AMTLQIDZFAMLMR-JPAPTLSNSA-N 797.637 6.364 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409033165 NGFAVQRPASBNHZ-BXMULHQWSA-N 712.608 6.388 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409107320 QWRCICHWZUGTCW-OXDPQRGISA-N 657.148 6.087 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(Br)c(Cl)c1 409205035 NJNHUKAAUCRMRE-VXLYETTFSA-N 562.785 5.946 5 40 KKBB Cc1c(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1Cc1ccccc1Cl 409271931 FGYYUAKWVUTUKU-WGARJPEWSA-N 546.004 6.479 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4C)C3=O)o2)c([N+](=O)[O-])cc1C 409275172 SFAZRGWABDZKFV-FMCGGJTJSA-N 505.552 5.763 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc([C@@H]4N[C@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1)c1ccccc1 409333010 AJUVJAPIDHFOKF-HTAPYJJXSA-N 538.632 5.396 5 40 KKBB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccccc5)cc([N+](=O)[O-])c4)cc3N2)cc1OC 999469 QSURYZRNYGKARA-PXDATVDWSA-N 583.523 6.513 5 40 KKBB COc1cc(/C=C(\Cc2ccc(OC)c(OCc3ccccc3)c2)[N+](=O)[O-])ccc1OCc1ccccc1 5492972 YNCSWZFQXDMJKM-WPWMEQJKSA-N 511.574 6.722 5 40 KKBB CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4N=C5/C(=C/c6cccc([N+](=O)[O-])c6)CCC[C@@H]5[C@H]4c4cccc([N+](=O)[O-])c4)cc3n2)cc1 8455495 MBSGEDBJNZKSIR-USUYROSVSA-N 709.685 8.792 5 40 KKBB Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)oc2cc1C 8833164 UTQKGHWCXRMLFO-UHFFFAOYSA-N 515.595 5.747 5 40 KKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccc(F)cc1 9295762 ZUEKHSUQGBCWFU-GRSHGNNSSA-N 503.305 5.993 5 40 KKBB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cs1 12546798 WZTHJISSGXVCIZ-ROUUACIJSA-N 522.627 5.380 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 59331631 VQQDXVTXKWHJEP-UHFFFAOYSA-N 523.018 5.760 5 40 KKBB CCN(CC)[P@@]1(=Nc2ccc([N+](=O)[O-])cc2Br)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C 97983290 UDDFEXBSNDRSEN-VYNDZEEYSA-N 545.422 6.932 5 40 KKBB CC[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)[C@]1(c3ccccc3)CC[C@@H](C(=O)OC3C[C@H]4CC[C@H](C3)[N+]4(C)CC)c3ccccc31)C2 101107082 LIIILPIXOYWUHW-XGYTXGQDSA-N 600.844 6.256 5 40 KKBB O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 102894975 BWYFQTHFDLOHJB-YPKYBTACSA-N 585.572 6.018 5 40 KKBB COc1cc(-c2cc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])c3ccccc3n2)cc(OC)c1OC 103101741 DAAZUTOUIKKCIN-UHFFFAOYSA-N 551.939 5.285 5 40 KKBB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)c1 103104050 QZCHFVXMKJEJBT-UHFFFAOYSA-N 537.667 5.224 5 40 KKBB COCCn1c(C)cc(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc([N+](=O)[O-])cc2)CCC3)c1C 103139144 NNXKANSJPXXFMT-NKFKGCMQSA-N 553.615 6.124 5 40 KKBB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3F)n2[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 103141829 PTBVLKBTEDEXGQ-XFKSJGNHSA-N 555.632 5.641 5 40 KKBB Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 103551680 QHKWHOQKDBIHLI-HEFUCBFLSA-N 590.035 6.413 5 40 KKBB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 104085505 ITPFLZHBNXUVFL-DTQAZKPQSA-N 580.597 5.256 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105311256 RHZMHENHVKZNQY-UHFFFAOYSA-N 522.974 5.178 5 40 KKBB O=c1oc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc12 158973322 RMAREEMPICGLHY-UHFFFAOYSA-N 664.353 6.073 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1 163553065 UBFFDNFHSCOCIM-HNVAQCFTSA-N 708.749 5.175 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163657549 HQABVWFMCAXUNP-PLQXQRLBSA-N 752.949 6.252 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225526034 CFBBPZJRPZJIOI-QFIPXVFZSA-N 631.151 5.011 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)o1 225581532 IMTBZXKMDCDBFO-WUFINQPMSA-N 557.632 5.568 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247331428 OYDUHNVBJBYTNM-UPOHCCNUSA-N 620.459 6.339 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408570214 ZVRLTIVRHNKMON-YDOVEJIGSA-N 586.870 5.602 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 408573047 SGLSEOXGHBIXTI-VWLOTQADSA-N 589.501 6.979 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 408610581 QHYZVUYOQMRTMD-UHFFFAOYSA-N 595.821 6.190 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C(=O)O)o1 408632201 HXTCAHAQODJXNT-NHDPSOOVSA-N 527.942 6.401 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408679292 DRFJLEAZFJEVJL-TUSFPTNYSA-N 658.536 6.252 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 408720529 SYXDGXYAGGCJTK-QKENHZOPSA-N 506.558 5.701 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729914 KVMYTXQDINWYCF-VPHSIRQSSA-N 640.630 5.443 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408842145 MOTYGZVAEKNLKU-VVNKCDPRSA-N 582.009 5.148 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O 408868905 PWBSZFKYFAWQJA-VROXFSQNSA-N 696.454 6.647 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OC(C)C 408917056 LPKGUOHKUJDLDK-VCHYOVAHSA-N 554.362 5.232 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409141742 JXCZEHHTIMRVJP-NRFANRHFSA-N 575.489 5.135 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)[C@H]34)c(=O)n2[C@@H]1c1cccc2ccccc12 409146416 RTXRSRRGRJFNFC-AFHFHYJJSA-N 772.839 6.062 5 40 KKBB Nc1c(Br)cc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1Br 409171589 ALDCSXKZIJPWFV-UHFFFAOYSA-N 522.149 5.851 5 40 KKBB Cc1ccc(-c2nnc(Sc3nc4cc([N+](=O)[O-])ccc4n3-c3ccc(F)cc3)c3ccccc23)cc1 3407047 GJKLXMVLRFXVGE-UHFFFAOYSA-N 507.550 7.143 5 40 KKBB CCOCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 6150799 VKECSDHQVRGKQA-UHFFFAOYSA-N 506.404 5.035 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 16610996 OYCHKVVXEADPAK-MRXNPFEDSA-N 504.568 5.809 5 40 KKBB CCOc1ccc(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3ccc(OCC)cc3)C2c2ccc([N+](=O)[O-])cc2)cc1 73417866 CTJHYLBAWNFFTC-UHFFFAOYSA-N 556.619 5.904 5 40 KKBB CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]3c2ccc(OCC)cc2)cc1 97983327 OVEBLQBUPDIOPA-MRAXCHOJSA-N 560.050 7.482 5 40 KKBB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1[N+](=O)[O-] 98047043 SOJBZAMFAGOKRP-JESJEVRBSA-N 679.755 5.355 5 40 KKBB O=[N+]([O-])c1cc([N+](=O)[O-])c2c(Nc3ccc(Br)cc3)n(-c3ccc(Br)cc3)[n+]([O-])c2c1 100083995 SNLZPESDACYESR-UHFFFAOYSA-N 549.135 5.349 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(OCC)c([N+](=O)[O-])c4)cc3n2)cc1 100360828 ZWOVVDXJEUXYDL-UHFFFAOYSA-N 553.044 5.850 5 40 KKBB Cc1ccccc1N(CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 100487448 GFKSAOIIPYQDBR-UHFFFAOYSA-N 607.450 7.420 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C(=O)N1Cc1ccccc1 100983409 FYJZSTHYPIYGTO-NXCFDTQHSA-N 511.559 5.370 5 40 KKBB Cc1cc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccc(OC(F)(F)F)cc2)no1 101140192 RZBBQJKDWQXCHY-UHFFFAOYSA-N 519.461 5.373 5 40 KKBB COc1cc2nc(SCC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 101307986 HJDXPNCTBJLULW-UHFFFAOYSA-N 550.984 5.254 5 40 KKBB COc1ccccc1N1CCN(CCCNc2cc3oc4ccc(C)cc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)CC1 102477536 RKABWBAVAYRDMO-UHFFFAOYSA-N 574.681 5.882 5 40 KKBB O=C(Nc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cs1)c1ccc(Cl)cc1Cl 104226540 ICWMPQBNYNNENA-UHFFFAOYSA-N 558.359 6.438 5 40 KKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105314333 GOVSHPSUOJICTH-UHFFFAOYSA-N 565.659 5.907 5 40 KKBB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)/C=C/c5c6ccccc6cc6ccccc56)CC[C@]4(C)[C@H]3CC[C@@]21C 118917001 HWPKACQLFFCDBD-TVUUPDABSA-N 616.930 11.959 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 150389585 DDBPFDZHGDPAOG-QVPVGFNESA-N 682.549 5.363 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 150396543 NAXYBVRNEIDQAF-KUSDHMTMSA-N 637.739 6.134 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Cl 214110433 CEGLGUMYAYHTOM-SRZZPIQSSA-N 511.899 6.185 5 40 KKBB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224494829 IJHGKNOWFWUNLR-SANMLTNESA-N 651.569 5.357 5 40 KKBB CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1 408530846 RVJPYOGUYSCYJC-DHUJRADRSA-N 648.741 7.469 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 408567166 GQHZWQRKGFUPAG-DEOSSOPVSA-N 557.445 6.475 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408570207 ZVRLTIVRHNKMON-BYGVMDBSSA-N 586.870 5.602 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl 408577118 YOJNUSOSRIKGCH-RRHKGSKTSA-N 528.392 5.149 5 40 KKBB COc1ccccc1Oc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 408637454 KROAXQQBPKBEDG-JOCHJYFZSA-N 582.565 5.967 5 40 KKBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]12 408642440 DVWIFYULOBDHRX-ADCSMLMYSA-N 573.989 5.478 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408736197 KVRYXRQBGFNQMO-SZYVSPPHSA-N 737.585 6.302 5 40 KKBB COc1cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 408805294 FWXLTPORPKFOJK-YEMRGMOGSA-N 558.680 7.236 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408823978 HEBAATFSMXHPRP-SUAMDDGLSA-N 682.980 6.010 5 40 KKBB O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1c2ccccc2cc2ccccc12 408972852 WFKYVBVQNUQUKK-NDENLUEZSA-N 508.813 8.512 5 40 KKBB CCOc1cc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 408983718 HFRXXOMWSRBELR-JAIQZWGSSA-N 537.322 5.320 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409107855 RMPSOPJRVVNPBC-OXDPQRGISA-N 701.599 6.196 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Br)cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409142227 CMKKHYOFVJVTGT-WQNUKSJVSA-N 727.431 6.119 5 40 KKBB CCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409238356 XCICCNGXMIFIBL-LICLKQGHSA-N 539.180 5.002 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)c1 409258363 SYQMDGIDIOPVNT-FOKLQQMPSA-N 650.429 7.460 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)C2=O)o1 409399468 IXMRCFLSSWMVMA-UUYOSTAYSA-N 561.934 5.453 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 832725 CCJOLOSYOLPDCX-RAWLKHAVSA-N 558.546 5.031 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc2ccccc12 1778630 XPVKFGFAWTVPEG-SDHOMARFSA-N 534.355 6.106 5 40 KKBB CCOC(=O)c1c(-c2ccccc2)csc1N[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 2682646 SLSMSXMOFWDJGQ-NRFANRHFSA-N 542.828 6.038 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)c1c(-c2ccc(Cl)cc2)c2c3n(c(COc4ccccc4F)nn13)CCCC2 3230779 PLPHGLJIKHULJG-UHFFFAOYSA-N 579.415 7.303 5 40 KKBB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 9591005 XXMPRLGSZNTSDF-UHFFFAOYSA-N 510.527 6.704 5 40 KKBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1ccccc1I 11758407 MSDZQELPFWPRCH-UHFFFAOYSA-N 527.274 5.450 5 40 KKBB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c(C)cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 16779634 VLVPOFOEXDUKOT-UHFFFAOYSA-N 507.568 5.441 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccc(Cl)cc6Cl)o5)nc34)c12 98046151 WROQLCRDDRFCMP-UHFFFAOYSA-N 550.349 7.360 5 40 KKBB CCCc1ccc(OCc2ccc(-c3nc4c5sc6nc(C(F)(F)F)cc(C)c6c5ncn4n3)o2)cc1 98046172 HAUOFXSNPOXLJW-UHFFFAOYSA-N 523.540 7.006 5 40 KKBB CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2[N+](=O)[O-])C(=O)[C@H]13 101075060 YGUPHSYJUKWQMM-KABVZFCKSA-N 520.626 5.610 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 103995323 NBKGSHHTNLCTFW-KPKULGGESA-N 565.413 7.493 5 40 KKBB O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305766 NJFNTLITEYGQLF-UHFFFAOYSA-N 570.458 6.827 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1c(F)cccc1Cl 106741737 UIXAWBUUPMCGCA-MSXFZWOLSA-N 521.957 6.627 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 150363260 MJNAUSZPQJKLMY-ZSWKDXAVSA-N 700.523 5.595 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 150395274 VLWHNFWIJGYTOG-WGJPBTIMSA-N 635.698 5.729 5 40 KKBB O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 150420475 OQEXTTZVEQGMPZ-UHFFFAOYSA-N 634.693 6.799 5 40 KKBB COc1ccc(CCNC(=O)c2ccc3c(c2)nc(SCc2cc(=O)n4cc(Cl)ccc4n2)n2c4ccccc4nc32)cc1OC 150443516 IERKZMUMQZQNLY-UHFFFAOYSA-N 651.148 5.979 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 163690831 YKNMKXNMEFRZEH-IYVASWNSSA-N 725.530 5.187 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222715534 IIYKCXHYXBVEKV-HKBQPEDESA-N 699.613 5.800 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223908468 YZMWRFKXTUMEQF-MHZLTWQESA-N 635.570 5.821 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224921557 PISGIUCNHRLHSY-XIFFEERXSA-N 675.207 6.142 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)o2)cc1 225384166 IHUWKCMEINVIBP-NSOVKSMOSA-N 526.618 6.748 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@@]21C(=O)Nc2ccccc21 248339015 SHEJUFCNSNOQPC-QFOROZRWSA-N 611.698 7.040 5 40 KKBB CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2ccccc2[N+](=O)[O-])N3Cc2ccccc2)cc1 408529710 NWJXKRHYULDHAE-PGUFJCEWSA-N 648.741 7.469 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 408572474 RGEUCISVNCRMCG-VWLOTQADSA-N 543.020 6.456 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408642463 DXCNAFMYZWRHHZ-ZRZAMGCNSA-N 559.962 5.232 5 40 KKBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 408665493 MCJNPYMKRYNDGD-UHFFFAOYSA-N 525.945 5.640 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)S2)cc1 408783814 RIPWUVQCWSUCBT-PNZYDNNZSA-N 587.439 5.940 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408852138 CNEFSIYMGYVGLD-MIUGUJGPSA-N 644.662 5.194 5 40 KKBB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409146099 JGYJPINKMQKVAK-OAQYLSRUSA-N 531.038 5.026 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409195134 UARNMIOECSSXKC-NTNOMAAHSA-N 767.289 6.951 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 409195647 RJXMEZHPYZERMH-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409226552 UNENLPUEEVJPRG-LSFURLLWSA-N 625.940 6.882 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409269327 BHOCHEUOJYMTGF-QRVIBDJDSA-N 548.577 5.473 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1C 409270642 GPRURGWDMRPAHH-FOKLQQMPSA-N 650.429 7.460 5 40 KKBB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Br)cccc45)nc3c2)cc1[N+](=O)[O-] 2082157 CYKZYLAWQABFPV-UHFFFAOYSA-N 502.324 6.879 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1sc2ccccc2c1Cl 3139196 YDKPUQUVDVHOLH-UHFFFAOYSA-N 503.761 7.270 5 40 KKBB C[C@H](Sc1nnc(CNc2ccccc2Cl)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 6177165 FOOMBHODKNMLIP-INIZCTEOSA-N 508.991 5.560 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 8437464 DZKLALZBEYYUJL-OINADKTASA-N 602.427 5.412 5 40 KKBB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3s2)c(C)c1 9144483 OHWMMCGJYGTUPU-QGZVFWFLSA-N 520.636 6.501 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 59247759 SDRAODLIRDWPGE-VPHSIRQSSA-N 585.682 5.707 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(C=CC(c3ccc(Cl)cc3)=NN2c2ccccc2)S1 97951166 CZIBABMZPORTAG-AREMUKBSSA-N 533.997 5.813 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 100174759 OHOHBRNZKSCGIR-PZZXBQDJSA-N 602.646 6.784 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 101669688 OSKNEXCNOWJMKO-UOWMXVQPSA-N 599.643 6.364 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1cc(Cl)ccc1Cl 102129706 IEWQNYVJFSOFJK-UHFFFAOYSA-N 526.676 6.367 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 102191145 IUMWQSBZCGWYSD-CYPQMOBWSA-N 597.671 6.775 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)o1 104659131 FEURLPHOGFFSDJ-JLHDDXNDSA-N 561.619 5.496 5 40 KKBB CCOc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccc(OCC)c([N+](=O)[O-])c4)sc3c2)cc1[N+](=O)[O-] 105220548 PXFNZNPPODGEPY-UHFFFAOYSA-N 551.537 5.415 5 40 KKBB Cc1ccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 105311826 TYGXBKVVONGKPS-UHFFFAOYSA-N 606.321 6.832 5 40 KKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1c(Cl)cccc1Cl 106716439 LLSAWZHYTCYPKB-UUYOSTAYSA-N 515.374 6.717 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc(Br)cc1 106724690 RZCWRTKHCKSTHZ-CFRMEGHHSA-N 548.418 6.597 5 40 KKBB CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 205688457 QGOHKVXHZHEQLI-HZHRSRAPSA-N 506.536 6.048 5 40 KKBB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 223442132 VXFJWXLRQHCUBC-IZZNHLLZSA-N 516.579 5.440 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224372275 PQLXOFIDCPBLAG-AREMUKBSSA-N 584.536 5.757 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224586124 XBBXAJSHMIOZRX-NDEPHWFRSA-N 687.215 5.635 5 40 KKBB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3Cl)S(C)(=O)=O)cc2)cc1 224938592 JQIYCQCDVDOEMB-UHFFFAOYSA-N 560.072 5.321 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260915937 ZFPMHXZCLYNGOM-JGCGQSQUSA-N 772.118 6.688 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261051225 LZWVDLNYQPYGGB-GZGVDWRWSA-N 741.694 6.969 5 40 KKBB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccccc2[N+](=O)[O-])N3Cc2ccccc2)cc1 408531635 VOYLXFNCGKDSTQ-UMSFTDKQSA-N 618.715 7.378 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl 408571934 QAIYJPZYCRJPLY-DEOSSOPVSA-N 603.926 6.998 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 408577389 ZEDUKYGVTNXPMB-RYMQEHTKSA-N 558.432 5.750 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408608035 MDCJXOFHKOFNFD-UHFFFAOYSA-N 533.291 5.977 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408689208 XVCMMWORSXXYKT-UHFFFAOYSA-N 716.962 6.498 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733550 JMTHOSFUAALQLI-DDRVHEJFSA-N 755.032 7.514 5 40 KKBB CCc1ccccc1N1C(=O)c2cccc3c(-c4ccc(Br)c(C)c4)c([N+](=O)[O-])cc(c23)C1=O 408757294 LRMOBIQJZQPIBP-UHFFFAOYSA-N 515.363 6.849 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408854654 ASDGDGURVQJMFH-KEPJHFNWSA-N 644.662 5.194 5 40 KKBB O=C1N/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 408932509 CROAVCRWZNQMBD-NHDPSOOVSA-N 532.767 6.227 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409030728 HOKVOQFIUYCESC-FZEVDNDPSA-N 697.688 6.313 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 409059093 QYQUTOCKEXWWKZ-UUYOSTAYSA-N 602.452 5.637 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)c1 409107671 SXYLMGXHYHQRFC-WSDLNYQXSA-N 644.276 5.539 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 409163382 QREOBFPNDSIYGO-MTJSOVHGSA-N 560.440 6.728 5 40 KKBB CCN(C(=O)COC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)c1cccc2ccccc12 3298368 MXXLUPUCYSENMZ-UHFFFAOYSA-N 507.593 5.874 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 97952415 MPXXKPSBHKFPOU-UHFFFAOYSA-N 519.914 6.313 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccc(F)cc1 97954250 GUCSZVFFEVMVRB-DSNGMDLFSA-N 533.899 5.698 5 40 KKBB CCOC(=O)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 97956694 OHJHEUVFWKIZNW-JOCHJYFZSA-N 527.514 5.237 5 40 KKBB O=C(COc1ccc2ccccc2c1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 97971242 KVXLJZCGSZZNQV-LVGVEFSGSA-N 562.582 6.858 5 40 KKBB O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 97984283 WCWIJPQJVBGTJF-JZLRHHTDSA-N 530.512 5.844 5 40 KKBB CC[C@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 100521608 BCZNXSTYRXQCQO-XGFDYLOESA-N 506.558 5.701 5 40 KKBB CCOC(=O)c1c(NC(=O)/C=C\c2cccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)sc2c1CCCC2 100782712 SEUNMLVUNCBRKA-KHPPLWFESA-N 537.550 6.064 5 40 KKBB COc1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CCC3)c(C)cc1[N+](=O)[O-] 103083334 QDIJHTFMUIQZRA-JXAWBTAJSA-N 543.601 6.194 5 40 KKBB Cc1c(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccccc3Cl)C3=C(N=4)c4ccccc4CC3)o2)cccc1[N+](=O)[O-] 103860525 CZNSMTDXTYYCJM-ITNPZBTBSA-N 580.065 6.449 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2CCc2ccccc2)sc2c1CCC2 150392642 XBBAUGZVYUTNPW-FQEVSTJZSA-N 662.794 5.514 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 150401139 YWBAETQJFHDQIL-FVUNBJOLSA-N 806.476 7.182 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 164534312 NLDQYMSXPQRGMN-QZVQSRICSA-N 726.605 6.194 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224590808 DSPJDGOVIBXYNO-WJOKGBTCSA-N 697.641 6.652 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc(C(F)(F)F)c3)cc2)cc1 224781534 VDIMWWNZWHYOPU-FQLXRVMXSA-N 617.678 8.128 5 40 KKBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 225293460 DPRILYFHANPGOI-GDLZYMKVSA-N 513.638 5.535 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 253375151 OSKNEXCNOWJMKO-XKEBTDTJSA-N 599.643 6.364 5 40 KKBB C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H]3C 253761807 ZQGOYEJYAYJFTL-QCJNCAKCSA-N 885.203 13.143 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 408569088 ITKWMABFBFRJFT-DEOSSOPVSA-N 608.345 7.643 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(OC)c(OCC)cc2Br)cc1 408572688 RTGNEPXDNZLMAI-OAQYLSRUSA-N 537.436 5.254 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)S2)cc1 408783013 JFOJJMMBFGBFAW-MFUBYVTQSA-N 515.513 6.568 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408846055 IIBBALQRUPOESN-HVDVVURSSA-N 562.691 5.892 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 409045970 QLGRSCILISRZIM-FSEOGBMLSA-N 642.517 6.061 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409094208 BXYXPXYYVZSDHL-CLNXTWJPSA-N 666.785 5.115 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 409101014 OJDNFBBWTDSZHA-MFKUBSTISA-N 703.511 6.251 5 40 KKBB CCN1C(=O)/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c2ccccc21 409112764 CWUXYOSBMSAWFR-ODLFYWEKSA-N 652.226 6.290 5 40 KKBB O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 409411554 JANDGQIJADCVTK-UHFFFAOYSA-N 526.372 5.041 5 40 KKBB Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3cc(Sc4nc5ccccc5s4)cc([N+](=O)[O-])c3)cc12 3099213 BHBIYVAUHOXSGH-UHFFFAOYSA-N 564.692 8.228 5 40 KKBB COc1ccccc1N(C(=O)CCc1cccc(Br)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3422221 LQSVHSQYWYEJLU-UHFFFAOYSA-N 538.423 6.787 5 40 KKBB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)c3)nn12 10010277 FUXUDABQNOHDEW-UHFFFAOYSA-N 514.976 5.452 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 11852766 UPROAPBFBHXHKC-UHFFFAOYSA-N 524.507 5.220 5 40 KKBB COc1ccccc1-n1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2cc([N+](=O)[O-])ccc21 12564831 IJXQDYVFBZOBPH-UHFFFAOYSA-N 503.367 5.980 5 40 KKBB CC(C)(C)[C@@H]1C/C(=C/c2cccs2)c2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3)c2C1 97979675 WLKDTOGASWHFIL-XWMMGPHDSA-N 555.656 7.149 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 102099071 LJUAMUHYLHHXHT-PKKYCPKDSA-N 604.615 6.500 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccnc1)[C@]21C(=O)Nc2ccccc21 102888482 BGAHJQLDWMQREK-UUQNIDNHSA-N 556.578 5.236 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6)o5)c(=O)n42)c2ccccc2CC3)cc1 104656645 YEQPRZFGLXDFDV-JLKMOJGBSA-N 561.619 5.496 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 104907810 SXXAICCINCPRBH-UHFFFAOYSA-N 558.463 6.129 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1 111465629 HVDFKCHSFANVBU-CLNXTWJPSA-N 591.645 5.412 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 222527136 COIWXYPXHIMWJW-DHUJRADRSA-N 684.815 5.888 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223808646 VROOWDATFPFDRH-OOXUFLSTSA-N 751.700 6.424 5 40 KKBB CC1=C[C@H]2C[C@@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@H]12 226411574 ZRHIGDZIDKQKSO-YQMHAVPBSA-N 524.529 5.446 5 40 KKBB CCOc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1 408555140 VUTRJCMYKLWLNU-UHFFFAOYSA-N 528.355 5.683 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)c(Cl)c1)[C@H]1CCCN12 408569651 WVAUIZVNECPLKQ-AWTIUKJOSA-N 507.949 5.113 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(F)cc1 408573111 SMTSMCPNTNZQSR-VWLOTQADSA-N 526.565 5.942 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408685940 QLKOQEHXWMVXML-QYVZARNFSA-N 598.442 6.351 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OS(=O)(=O)c6ccc(C)c([N+](=O)[O-])c6)cc5)c(=O)n42)c2ccccc2CC3)cc1 408755923 GJGVJFBLQRVBGZ-UHAPOFRNSA-N 665.749 5.312 5 40 KKBB O=c1/c(=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408779969 OVPQMFSFRIFEET-ODSXNOBESA-N 779.510 8.484 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)S2)cc1 408780256 ACQCYWSAHZSSTL-QDNAUZDWSA-N 666.335 6.703 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409100985 ODRHFIATKSIKQW-ABBNRAPFSA-N 641.134 5.377 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1cccc(Br)c1 409170720 XFWRCMNVUXPAQV-SRZZPIQSSA-N 579.350 7.405 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409249799 OTGBELOKLUQOSN-ZVHZXABRSA-N 670.460 5.271 5 40 KKBB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1 2798687 NTTSYSSGMPEJDS-LBPRGKRZSA-N 546.449 6.131 5 40 KKBB CCn1c2ccccc2c2cc([P@@](=Nc3cccc([N+](=O)[O-])c3)(Oc3ccccc3)C(C)(C)C)ccc21 12580895 JZKKSSZSERXPAO-DIPNUNPCSA-N 511.562 8.673 5 40 KKBB COc1ccccc1-n1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nc2cc([N+](=O)[O-])ccc21 12602392 VFIMDOANWUEBIA-UHFFFAOYSA-N 503.367 5.980 5 40 KKBB CN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2)C1CCCCC1 25396354 HZMBRGMFFRJQMP-HEHNFIMWSA-N 513.594 5.968 5 40 KKBB COC(=O)c1sc(Nc2cc(COC(=O)C(C)(C)C)ccc2[N+](=O)[O-])cc1O[C@H](C)c1ccccc1C(F)(F)F 100454613 HHSSESJKGVKCQD-OAHLLOKOSA-N 580.581 7.435 5 40 KKBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1F 102754989 NSKVQDNPYBRCIR-QHAWAJNXSA-N 502.285 5.092 5 40 KKBB CN1CCN(c2ccc(C(=O)N3N=C4/C(=C/c5ccc(F)cc5)CCC[C@H]4[C@@H]3c3ccc(F)cc3)cc2[N+](=O)[O-])CC1 102928616 KNKXBQHWWCJXGZ-OJQCNIHLSA-N 571.628 6.062 5 40 KKBB Cc1ccc(NC(=O)[C@H](Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)c2ccccc2)c([N+](=O)[O-])c1 103090376 WCNZCPDKPYMDBE-AREMUKBSSA-N 557.582 6.901 5 40 KKBB Cc1ccc(C2=NN(c3ccc(-c4sc(-c5ccccc5)c(-c5ccccc5)[s+]4)cc3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 103547153 LMCXVEAQCKDNKX-HKBQPEDESA-N 616.813 10.726 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccco1)[C@@]21C(=O)Nc2ccccc21 103555990 IIGHFBBSFNYSHR-IDSQFFPFSA-N 545.551 5.434 5 40 KKBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)CC2)cc1 105394523 YOFJPHKXVLMQOO-UHFFFAOYSA-N 541.652 5.362 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106717699 AJQJYZKOHJVXDN-KSEXSDGBSA-N 609.465 6.223 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccc(F)cc2)sc2c1CCC2 150391433 BNSLEHGLYXUKNR-INIZCTEOSA-N 638.703 5.091 5 40 KKBB O=C(Nc1ccc(-c2cc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)nc(-c3ccccc3)n2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 150600105 MKUGSXYWGIDVBE-UHFFFAOYSA-N 726.618 7.615 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 164111489 DVTLHBJSUGQJTA-FHQMNNMHSA-N 717.579 6.760 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214972481 MBUAHZBIDIWHMV-ZVHZXABRSA-N 569.433 6.572 5 40 KKBB Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2)cc1C 214983297 IRJXUXPYSGSJHC-ZMOGYAJESA-N 596.459 6.228 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222958551 CEFPZVBRKLZPGK-YTTGMZPUSA-N 697.641 6.509 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1Br 224938155 LXKYYJIHZYNOOK-ZEQRLZLVSA-N 534.439 6.029 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225581330 VAJMZWLVCKFYOB-NDEPHWFRSA-N 649.597 5.532 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OC 408567676 HCMNNVBOPRQEGO-IBGZPJMESA-N 507.410 5.082 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 408576600 XUMCDASCFMGROP-MUUNZHRXSA-N 561.063 7.080 5 40 KKBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408666431 PPSCCHARBQNSFG-HWVGMSPJSA-N 722.192 6.121 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 408688157 VVFPJWYWPIMCGV-NPYONTDKSA-N 571.589 5.036 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408729533 CFCINEJXTGHEAC-QFMXGDCESA-N 769.560 7.004 5 40 KKBB O=C1c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1O 408755771 FLCULVJBVMFUBP-UHFFFAOYSA-N 504.296 5.760 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)c1 408778273 RYLLNOBPIFRTCL-USDTVRPUSA-N 627.078 5.704 5 40 KKBB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408808805 FQGFEYGBYHLGPS-UUYOSTAYSA-N 541.379 6.186 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 408821570 IZAHYMJNAMDYHH-UPWSPCOFSA-N 678.561 5.365 5 40 KKBB O=c1/c(=C\c2cc(Br)cc(I)c2O)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408842958 KTZFSVVVFLFSGD-XOBACGFXSA-N 686.325 5.300 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1cccc2ccccc12 408877837 UVEDZUQDCVHQDH-FUFNRSNVSA-N 644.503 5.882 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)c(OC)c1 408980756 XDKJIRGCOOMKLW-OBDCIHEFSA-N 657.104 5.713 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408995717 MZBDSEMNNDGUFA-IQPMGOHCSA-N 691.762 5.830 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409052675 HRXAMFKHZYDSAV-QRVIBDJDSA-N 691.354 5.855 5 40 KKBB CCCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3cccc(C)c3)c(=O)c2c1C 409121383 WOYDOKSVBLPNSU-UHFFFAOYSA-N 519.570 7.095 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409169802 RNKVBMRNQGNYFV-BHGWPJFGSA-N 680.013 6.920 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409176134 IDJRZTNXSJWSHQ-UHFFFAOYSA-N 714.005 6.507 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409177979 HZDWBGLDRQOUMM-SANMLTNESA-N 551.467 5.085 5 40 KKBB Cc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409178654 MKMTUFXRGSRGLR-UHFFFAOYSA-N 577.376 7.160 5 40 KKBB COc1cc(C2=N/C(=C\c3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc(OC)c1OC 409188663 JIUJDVJPFKRPNY-ZKFMPHTQSA-N 688.281 6.109 5 40 KKBB COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409190457 NWOQKVQRBRYQQI-HJLOVEEGSA-N 504.882 5.220 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br 409190913 BIFJYPCUKGOEGS-DXTKDLSISA-N 846.569 7.119 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409196003 YCUMFRHOEIDRLA-BYHXYDORSA-N 563.360 5.719 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409239784 FDOAAAXBXIOJNF-FOKLQQMPSA-N 632.876 6.273 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(F)cc1 409276153 OGCDVAIQPMNCMS-YOWYGEOISA-N 626.710 5.219 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409344822 HJWVWEVTOXHFMU-SRZZPIQSSA-N 629.401 5.741 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)n1C 409347127 MHOGQYXDENPWNJ-FQEVSTJZSA-N 551.456 5.196 5 40 KKBB Cc1ccc([C@@H]2C3=C(O)C[C@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)O)cc1 1310605 CZXAPBBBPMLVRH-IIMAJNMQSA-N 525.561 6.318 5 40 KKBB Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2ccc3c(=O)c(-c4ccc([N+](=O)[O-])cc4)coc3c2)cc1 1899005 SPKLRHGXKJKXES-UHFFFAOYSA-N 550.589 5.121 5 40 KKBB CCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(-c3cccc([N+](=O)[O-])c3)o1)Nc1ccccc1-2 2073900 KXGKDCBVSCQNPA-DEOSSOPVSA-N 503.584 6.882 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1 2683598 STXLDCSCNHSQNG-LMSRTUJASA-N 575.668 5.077 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccc(C)cc3)cc12 11852759 IOFPIDQWJMNUOE-UHFFFAOYSA-N 522.535 5.170 5 40 KKBB COc1ccccc1-c1nnc2n1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C(=O)c1ccccc1)S2 12624716 MDFSTKPXRFELEW-IFMALSPDSA-N 507.959 5.157 5 40 KKBB CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 60060239 DWIQIAVTQUBMTD-OAQYLSRUSA-N 532.018 5.028 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F 97949276 YDWSGPVEJKCFPS-LEWJYISDSA-N 715.708 8.675 5 40 KKBB O=C(OCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])o1 97979936 LWMNBOFUVOGBED-FUDKHSSSSA-N 521.476 5.446 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3nn4c(C(F)(F)F)cc(-c5cccs5)nc4c3Br)cc([N+](=O)[O-])c2)cc1 98006809 UBDPGYFRDWJUJW-UHFFFAOYSA-N 648.417 7.591 5 40 KKBB COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Br 100321767 FWKQTSMASGZPLC-UHFFFAOYSA-N 527.809 5.270 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(OCc4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 102562013 ICIAMULZLRCHHA-PKTNWEFCSA-N 555.974 5.878 5 40 KKBB CC(C)[C@H](NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 102901320 DLKBRBGTHKCPON-VWLOTQADSA-N 546.567 7.053 5 40 KKBB C[C@H](OC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 103090779 YZPVNMODEPUZRE-AWEZNQCLSA-N 554.784 6.410 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccncc1)[C@@]21C(=O)Nc2ccccc21 103554609 ZMPULFICGYXEER-MKYOLNSUSA-N 556.578 5.236 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306647 NMUPEJCGXQRGOV-UHFFFAOYSA-N 582.436 5.129 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(I)cc1 106728498 MGXNMRLJKSWCFK-QRVIBDJDSA-N 602.406 6.024 5 40 KKBB Cc1ccc(N(CC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 108884057 KWGSPEIZXIERNL-IWFBPKFRSA-N 520.051 5.001 5 40 KKBB CO[C@H]1/C=C/C=C(\C)C(=O)Nc2cc3nc4ccc(Br)cc4oc-3c(c2=O)C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@@H](C)/C=C(/C)[C@H]1OC(N)=O 150388492 GRRRVBFXHGBGOJ-MTVIAYAISA-N 698.611 5.516 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 215113628 ZZBPJCNGQMTLQP-LSFURLLWSA-N 559.915 6.333 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222466190 POCJXVKMZUUXPI-WJOKGBTCSA-N 665.168 5.147 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222658376 PCTCESNUUKWUBF-NRFANRHFSA-N 512.459 5.467 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224880492 YYAZJMHXJLIXQF-UMSFTDKQSA-N 753.705 7.113 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260988989 MUQUPLGGRGKQTL-HSZRJFAPSA-N 657.189 5.627 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408567825 RNTMZVKLRXEXAA-ZVFGGPEJSA-N 596.453 5.620 5 40 KKBB CCOc1cc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408633821 PSOFLTJUYMBKAB-CFRMEGHHSA-N 584.006 6.502 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408640974 BURPPFXVWXRWRN-JOCHJYFZSA-N 633.440 6.567 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408647216 UUJIMNHIXGLVDE-UHFFFAOYSA-N 899.524 8.054 5 40 KKBB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccc([N+](=O)[O-])cc1 408647920 BXYMQOGSSILDCC-ULPMMAEXSA-N 655.490 5.525 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730962 XBUCOYOALUIDNC-FUFNRSNVSA-N 626.603 5.135 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4ccc5ccccc5c4C3=C[C@@H](c3ccc4c(c3)OCO4)[C@@H]2C1=O 408731119 JBABRQLRHGCBIV-GSEVSCEOSA-N 574.545 5.307 5 40 KKBB O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408844258 VMLRTNSOUNNUCC-NULZLWRNSA-N 549.583 5.626 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 408927264 VSKYLGPPHFNKEW-FVUNBJOLSA-N 652.729 5.035 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409146190 SAHLSVLFFNZLME-FQEVSTJZSA-N 551.456 5.371 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409188345 GXLYCFUZVBHWLJ-KAEGSSFASA-N 775.099 7.679 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409223848 IWZAWQPAFYDXNC-WYMPLXKRSA-N 585.997 6.040 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409237255 JBDHARQWVWAENB-FOKLQQMPSA-N 589.851 6.835 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(C)C 409343044 HTZBGHRYEPMOBJ-OAQYLSRUSA-N 565.483 5.679 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409362274 TUPIIPHLYONKNL-WQNUKSJVSA-N 713.006 6.018 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4c(C)cc(C)cc4C)C3=O)o2)c([N+](=O)[O-])c1 409373373 IGIMMIPEZANYCX-WSDLNYQXSA-N 521.551 5.464 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(c1ccc(Cl)cc1)=NN2c1ccccc1 8404549 ZKQFFQAWPPRKIC-PMERELPUSA-N 584.057 6.761 5 40 KKBB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cs1 12546797 WZTHJISSGXVCIZ-HDICACEKSA-N 522.627 5.380 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 22828149 BHMGYPDPGJBFOU-MRXNPFEDSA-N 504.568 5.809 5 40 KKBB CC1=C(/C=C\C(C)=C\C=C/C(C)=C\C=C/C=C(C)/C=C\C=C(C)\C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1 32786178 OENHQHLEOONYIE-MSGYROBQSA-N 536.888 12.606 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 97983822 BKOYERJOPBZSCY-RDEJXQTHSA-N 534.663 5.991 5 40 KKBB COc1ccc(Cn2c(-c3ccc(Cl)cc3Cl)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1 102581350 NXPJYNXKNDCHIB-UHFFFAOYSA-N 558.215 6.296 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745521 VRBHQDRXSXMZPZ-CFRMEGHHSA-N 514.519 5.743 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 150396385 HUTDPUWNWIQMTA-SLDXWZKBSA-N 688.589 7.534 5 40 KKBB COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc2c1OCO2 150484828 XNMDGEPMZDDYMH-QJLIDPEZSA-N 666.668 5.166 5 40 KKBB O=c1/c(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163224353 KGIUQZGULDXTNC-HZHHUVPKSA-N 650.554 6.568 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224055530 WKDDARYJAQJGTL-HHHXNRCGSA-N 659.205 5.527 5 40 KKBB C[C@H]1C[C@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)C1 224142992 SOYMDDDNYJLTRR-BLQAFSTQSA-N 588.133 7.563 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224569966 PTEPQVDZYNDCQT-SANMLTNESA-N 665.596 5.231 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225440748 DZIQTRFKHUEGRD-GDLZYMKVSA-N 624.601 6.680 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccccc3Cl)c(Cl)c1)[C@@H]1CCCN12 408567101 PRACVQBCOJXTSN-UUNMANHLSA-N 558.849 6.280 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408643410 PINNMSPKVGBFIM-UHFFFAOYSA-N 704.262 7.445 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)c1 408666669 ONOWJLVZWMAPAP-UHFFFAOYSA-N 586.395 5.449 5 40 KKBB O=c1/c(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408847358 VGMWOIIQFVZRPH-QQMBNGEASA-N 637.073 6.581 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)cc1OCC 408933128 HTLYJQSMUYXMBE-WQVUUJHJSA-N 694.560 5.065 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CCc1ccccc1 409008242 XBRKUDRXZLFNPV-HAHDFKILSA-N 539.407 6.215 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409095305 HKXBJNDEAMJAMF-NPHLBUJTSA-N 686.171 5.452 5 40 KKBB COc1cc(CNc2ccc(C)c(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409111172 CAVNFBZAXDNZFL-UHFFFAOYSA-N 518.351 6.016 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(-c2ccccc2Cl)nc2ccccc12 409176918 AXMLJWKXWYBGRD-UHFFFAOYSA-N 510.933 7.613 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O 409189002 MLUMAXXLFCZOPF-ZTJAMKNHSA-N 509.301 5.865 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409207238 UHKIPEWHADTBNM-BHGWPJFGSA-N 631.541 5.861 5 40 KKBB CCOC(=O)c1c(NC(=O)c2cccc(Cn3cc(Cl)c([N+](=O)[O-])n3)c2)sc2c1CCCCC2 2084463 NGNAUTBKLZKVSH-UHFFFAOYSA-N 502.980 5.252 5 40 KKBB CCCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1CC 3346465 XSYZXXGRXCCBCJ-MRXNPFEDSA-N 518.595 5.965 5 40 KKBB COc1ccc(Cn2c(-c3ccccc3C)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1 11851724 KICJVCBXIVDPDB-UHFFFAOYSA-N 503.352 5.298 5 40 KKBB Cc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2-c2ccc(Cl)cc2)cc1[N+](=O)[O-] 12643173 FGVPXIKWLSBRDL-UHFFFAOYSA-N 518.986 6.016 5 40 KKBB CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463645 YXZGKFWYFQWZIM-UHFFFAOYSA-N 501.608 7.433 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 100396164 JIYDYMUJLWNIJV-ZVERSMQUSA-N 575.577 5.385 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12 100869568 MPLVOYXIHADPMA-UHFFFAOYSA-N 537.506 5.104 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 101157257 PSQFWVFXXVDHGV-UUQNIDNHSA-N 541.563 5.451 5 40 KKBB Cc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccccc3Cl)C3=C(N=4)c4ccccc4CC3)o2)cc1[N+](=O)[O-] 101502191 FJARCURRMDMBNY-OBDCIHEFSA-N 580.065 6.449 5 40 KKBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 101591369 KHCJVOYEERZCRS-CXNUKBDRSA-N 599.599 5.502 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 101672106 RJPHSPNOPSCOST-GGKJBDKJSA-N 555.590 5.885 5 40 KKBB CC1=C[C@H]2N(c3ccc(C)cc31)[C@H](C(=O)c1ccccc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 101672149 DALZFEOJMMDWHB-ZXFZPVEDSA-N 569.617 6.149 5 40 KKBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 102890790 BVDAAQKWCKLXRL-FCEKVYKBSA-N 583.528 5.013 5 40 KKBB O=C(COc1ccccc1F)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 102975389 CUGWAOBSKLDCJW-NIJUPKNRSA-N 530.512 5.844 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 150363756 UZCUMVIVBUDTQD-QYIOYSLNSA-N 635.654 5.141 5 40 KKBB Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2-c2ccc([N+](=O)[O-])cc2)cc1 150447561 ZSQKWVHIXNNZTE-MUUNZHRXSA-N 667.773 5.711 5 40 KKBB Cn1/c(=N/P(=Nc2ccc([N+](=O)[O-])cc2)(/N=c2\sc3ccccc3n2C)/N=c2/sc3ccccc3n2C)sc2ccccc21 150477975 CVTLNHHUEBYUGP-VTVHASLQSA-N 656.759 7.635 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 225093927 ROHOOYOTOCELFJ-LJAQVGFWSA-N 661.608 5.675 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225306195 SUAUPEPGQHCDLS-PMERELPUSA-N 622.744 5.055 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 247315982 KAMVSGGANDFDTA-XQUALCHDSA-N 567.907 5.540 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408570062 YHFWUZYGTHIHNX-ZVFGGPEJSA-N 657.359 6.244 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)c1 408571644 PJRQYZCQSCPSSC-DEOSSOPVSA-N 557.445 6.475 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)O)o2)c1 408634296 UAVFILJHOLOWHB-JAIQZWGSSA-N 529.914 5.793 5 40 KKBB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 408753097 HSWHDMKYSFJXCT-IQXRZRKZSA-N 524.576 6.685 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408814419 PEVZOUKFGLDVLO-SUAMDDGLSA-N 638.073 5.087 5 40 KKBB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408841914 IPMCBNKOKZPFSS-LICLKQGHSA-N 674.337 8.657 5 40 KKBB Cc1ccc2c(Cl)c(C3=N/C(=C/c4cc(Br)ccc4OC(=O)c4ccc([N+](=O)[O-])cc4)C(=O)O3)sc2c1 408847263 UOUAZMRIPOEUHE-XDHOZWIPSA-N 597.830 7.098 5 40 KKBB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2)c1 408925107 JNWIFBXEUYOVHZ-ZXVVBBHZSA-N 513.575 5.883 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc([C@@H]4N[C@@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 408992464 SAVHFTUBLZVTSD-VGOFRKELSA-N 573.077 6.050 5 40 KKBB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409024791 WSQNLAMAHJJQAK-VCHYOVAHSA-N 554.362 5.232 5 40 KKBB CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409115701 SYZARFVJRWOUFK-UHFFFAOYSA-N 549.421 7.739 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1 409121845 YFNUEUAQUUJSLM-CJIXEESDSA-N 726.631 5.213 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409184515 XUFONZQUDZTCBR-JAYSWQADSA-N 578.046 5.237 5 40 KKBB COc1cc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)ccc1OC(C)=O 409189255 NZPHTYZGOACNIY-QIHFTWRUSA-N 607.369 5.255 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O 409229440 OZJIVDGZSZRPIO-DJKKODMXSA-N 529.336 5.255 5 40 KKBB CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409354712 AJJLHHLFPCDJNW-UHFFFAOYSA-N 511.991 5.631 5 40 KKBB Cc1oc2cc(Oc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 1803545 CWHOVOITNHANEZ-UHFFFAOYSA-N 558.421 6.557 5 40 KKBB O=C(Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)c2)cc1)c1cccc([N+](=O)[O-])c1 3014434 RAJJVCDJENMWCJ-UHFFFAOYSA-N 590.548 7.592 5 40 KKBB O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8835299 GILYBHPHWZMYHW-UHFFFAOYSA-N 515.595 5.198 5 40 KKBB O=C(Oc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 17976095 QXCDUSSKTXRFRJ-SALAOISXSA-N 516.509 5.211 5 40 KKBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccnc1 97984026 PKTFPGQPPNKCBQ-ZJPZMDMLSA-N 699.826 8.830 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 100171497 LBKBLDUHLZGLAD-UDKDVIIMSA-N 602.646 6.784 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 100360809 TVEAFHTVNAWGRS-FSJBWODESA-N 589.504 6.949 5 40 KKBB Cc1c(C(c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C 101018233 MVSIUYLACGRNTI-UHFFFAOYSA-N 575.625 5.631 5 40 KKBB O=[N+]([O-])c1ccc([C@@H]2O[C@H]3C(c4ccc(Br)cc4)=Nc4ccccc4N3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 101070800 KVXGFJVCCUJLAT-PKTNWEFCSA-N 571.387 7.045 5 40 KKBB CC(C)(C)c1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)OCC(=O)c5cccc([N+](=O)[O-])c5)cc4C3=O)cc2)cc1 102078857 ZOZVLHSQILZOKH-UHFFFAOYSA-N 578.577 6.525 5 40 KKBB CC(C)(C)CC(C)(C)NC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)NC(C)(C)CC(C)(C)C)c3cc12 104641062 GODXJNIADKNPLD-UHFFFAOYSA-N 642.888 10.006 5 40 KKBB Cc1c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 106739288 UOLRBCVWWGOZCR-ZMFRSBBQSA-N 570.583 5.462 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112242867 LLUQMNXKODNVOT-UHFFFAOYSA-N 557.788 5.908 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl 163915895 OCQSZOSZEQNBFD-ORVZPOCUSA-N 651.053 5.069 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 164540357 LTODSCGRYKWPBL-SWBDNCPRSA-N 677.735 5.440 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)o2)cc([N+](=O)[O-])c1C 215198229 ODBBABNVHIZPQD-GZIVZEMBSA-N 512.927 6.090 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223675824 DKECHGWHAQCHGM-UVMFRMCBSA-N 690.794 5.801 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 224996315 XRKPKUZKKZJGGD-VMPREFPWSA-N 573.122 6.847 5 40 KKBB Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2CNc2ccc([N+](=O)[O-])cc2)c1 408612453 WCLOWBANMHLNRS-UHFFFAOYSA-N 549.219 6.058 5 40 KKBB Cc1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 408655809 LRALDVDDTJNFJB-HCOICLPRSA-N 592.479 5.995 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(Cl)cc1 408677541 CCHRHYDABNHRMT-AGTZKDDFSA-N 592.007 5.381 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408811933 KWPCWHHGRNOTKO-KMCFWPMWSA-N 744.595 6.333 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccccc3)c(I)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917470 VBWMSFHFSUMNAH-LPYMAVHISA-N 572.380 6.015 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408987681 QUVDHPWSRWTKEG-JESJEVRBSA-N 725.204 5.689 5 40 KKBB CCOc1ccc2nc(Sc3ccc(-c4nc(O)c5c(C)c(C)sc5n4)cc3[N+](=O)[O-])sc2c1 408991631 OPKLLGKJMISOJV-UHFFFAOYSA-N 510.622 6.749 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409103789 YWKMHEUMUFFXJM-GVMLUORFSA-N 611.507 5.579 5 40 KKBB CCCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3ccc(OC)cc3)c(=O)c2c1C 409122378 XJTIEKHSGDLYGD-UHFFFAOYSA-N 535.569 6.795 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409181660 FSIBLAODFRLBET-SANMLTNESA-N 501.516 5.209 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409192841 FVQIRQOCCMPVIL-CIAFOILYSA-N 575.824 6.839 5 40 KKBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)c1ccccc1n2CC 2309063 ZVJZPDIMJAYXEO-UHFFFAOYSA-N 528.660 7.164 5 40 KKBB CCOc1ccc(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)cc2)cc1[N+](=O)[O-] 5949424 DECIYDXISPNVGC-UHFFFAOYSA-N 536.457 5.268 5 40 KKBB O=C(Nc1cc(Oc2ccc(Cl)cc2C2CCCCC2)cc([N+](=O)[O-])c1)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 8430260 PQTBDFVIRPEIRY-UHFFFAOYSA-N 714.926 9.832 5 40 KKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)NCCCc4ccccc4)cc3c3ccnc2c31 70707885 JIQDFAHZCBWSQP-IBGZPJMESA-N 535.600 5.125 5 40 KKBB biogenic O=C1c2c(ccc3cc4ccccc4cc23)N2C(=O)[C@H]3C(=O)c4c(ccc5cc6ccccc6cc45)N3C(=O)[C@H]12 100368909 CMYSPKZQUACNKY-RNPORBBMSA-N 518.528 5.809 5 40 KKBB Cc1ccccc1C(=O)CN1C(=O)[C@@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)N=C(c2ccccc2)c2ccccc21 100947538 LWZWLCFLLROCCK-SSEXGKCCSA-N 561.598 5.426 5 40 KKBB CCCOc1c(I)cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 106745607 WROJRGJOWRBIGM-UNOMPAQXSA-N 568.389 5.623 5 40 KKBB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@@]21C 118913935 HWWNKOPGLSAYEI-LSGSBYTISA-N 535.769 9.162 5 40 KKBB biogenic,in-vitro COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 150502483 YZVBDKSNARAFSN-KFOJKGMOSA-N 762.025 7.073 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 224033160 LOMFAHMBGCAYQA-RPBOFIJWSA-N 516.535 5.164 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224430899 WKVPYASKZJFYSN-WJOKGBTCSA-N 646.741 5.484 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224537117 XGARJWGFNRZSIH-SANMLTNESA-N 645.178 5.340 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224724208 YINYARZDEPKVHW-QFIPXVFZSA-N 631.151 5.012 5 40 KKBB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224760807 WSRHYOVRMXKJAT-DHIUTWEWSA-N 504.662 6.688 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363873 KKQUONFTEQTLNI-XYOKQWHBSA-N 553.821 8.113 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 248148304 UJXJYYUZGWGZMW-FUABUCQOSA-N 571.589 5.585 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408566253 NJOOKMYBSHHPDV-XQYAGUJKSA-N 528.392 5.149 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408570610 LNYKSOWMYWPROJ-RUZDIDTESA-N 541.029 5.935 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccccc1 408645019 SBXAIGAFOKFQPZ-UHFFFAOYSA-N 744.972 6.181 5 40 KKBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccc(Cl)cc2Cl)cc1 408680842 HCBFZQBHNOCLNY-JOCHJYFZSA-N 506.363 5.508 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 408836725 USLLRQCMDBPNQG-BIWBSIMWSA-N 648.535 5.356 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409040838 IKIPHCOBCRORSS-GWRYVSOYSA-N 740.604 5.983 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409099451 NOQFXMANZMUNKG-IYCJABBDSA-N 741.664 6.515 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409160596 USBUIUKUKKZEGP-SSDVNMTOSA-N 650.429 7.460 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)ccc1Cl 409162221 YPDRRNWPSAFCMW-SRZZPIQSSA-N 634.848 6.122 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409167329 IJRHOUKBNSTANN-ZVHZXABRSA-N 626.485 6.318 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 409192142 AWKDPCBEJJZPBU-PYCBVSLESA-N 731.256 6.187 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409204338 FVGIHOQIEHQDJN-LPYMAVHISA-N 552.381 5.428 5 40 KKBB CCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409221490 QZPNEYYRJKXSTO-LICLKQGHSA-N 539.180 5.002 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5c(ccc6ccccc56)C4=C[C@@H](c4ccccc4)[C@@H]3C2=O)c([N+](=O)[O-])c1 409332192 HAZCVPFKZUGZLC-YMOPEUHTSA-N 546.535 5.278 5 40 KKBB O=C(CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1)Nc1cc([N+](=O)[O-])ccc1Cl 409359374 NLKBKAYGXBYYKS-UHFFFAOYSA-N 517.778 5.680 5 40 KKBB CCn1c(CSCc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 409359464 JNYKLYDBEPAHFP-UHFFFAOYSA-N 526.471 5.986 5 40 KKBB O=C(N[C@@H](Cc1ccc(OCc2ccccc2[N+](=O)[O-])cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1857793669 ZUOXFSMGYBBMPM-NDEPHWFRSA-N 538.556 5.708 5 40 KKBB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2ccccc2)c1 3224388 QPLUUZJJUCHHKQ-QHCPKHFHSA-N 517.567 5.028 5 40 KKBB COc1ccc(C2=NN(c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 6924936 BEGPHWVBNVKZPI-MUUNZHRXSA-N 535.991 7.223 5 40 KKBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 97971193 POAIZWYNQTWSIP-WRSGHTTQSA-N 551.386 7.247 5 40 KKBB O=C(Nc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100037608 YAXDKUIBPMRFIK-UHFFFAOYSA-N 588.445 5.616 5 40 KKBB O=C(COC(=O)c1cc(-c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)nc2ccccc12)c1cccc([N+](=O)[O-])c1 102517325 RBSAETZWHYSOQO-ZVERSMQUSA-N 575.577 5.385 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)OC(c3ccccc3)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 104009072 GEKDPSFYKQVZRU-ZSEZPNIJSA-N 601.615 5.326 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105308071 FNZUNHLTSBBUIR-UHFFFAOYSA-N 521.986 5.783 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 150363286 RVQKMMACMOUOJV-GAPLDZIPSA-N 692.662 5.273 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccccc1 150434169 PEZNAKYHCYVTKQ-JMIUGGIZSA-N 658.246 8.167 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222680290 LHPYWOBDUDIBPP-YTTGMZPUSA-N 663.196 5.856 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223166919 VLYDBJKKOGLRJS-FGZHOGPDSA-N 675.602 5.202 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223920100 LRBVIXATKPRXHE-NDEPHWFRSA-N 679.623 6.138 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(Sc4ccccc4)o3)cc2)cc1 224785380 NMGFUSBQBVLBKN-FQLXRVMXSA-N 582.732 8.062 5 40 KKBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 253487438 KHCJVOYEERZCRS-ACZXLBTNSA-N 599.599 5.502 5 40 KKBB O=[N+]([O-])c1cccc(NCc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c1 408557494 NWINZMLNJMKEIE-UHFFFAOYSA-N 526.612 6.964 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 408565333 BRUAHZMSNMFQAJ-DEOSSOPVSA-N 587.471 6.483 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(OCC)c(OCC)cc2Br)cc1 408565734 CYFWTWFBWOFLFR-QFIPXVFZSA-N 551.463 5.644 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408568324 SYSBFXPQFBKFLD-RCDAXMBGSA-N 549.627 5.872 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3)c(Cl)c1)[C@@H]1CCCN12 408568352 TYULBJYLDBUPFK-TUPPOGIXSA-N 524.404 5.627 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408568564 IASRWNIFLYCPTD-SANMLTNESA-N 589.501 6.979 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 408569083 ISWCSBUULWNXRS-XMMPIXPASA-N 529.449 6.880 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(F)cc1 408575501 WKLCIBDSYPYXJB-DEOSSOPVSA-N 587.471 6.483 5 40 KKBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408638770 DJCXDLYKRFGJNB-SYXUZZLGSA-N 680.155 6.060 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(F)cc1 408642274 MQDOQMLCVRXAHZ-QKCPIRFBSA-N 670.091 5.421 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408660820 WYNBMHLKYXPPJO-MFTWVQLTSA-N 722.666 5.855 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408733146 FDWJTOSBQLUMHV-SUCLOZJKSA-N 725.109 6.895 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408814411 PEVZOUKFGLDVLO-MFCBUNOESA-N 638.073 5.087 5 40 KKBB O=c1/c(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408832700 ZPYYYHFQSXCSOW-IVQFASICSA-N 823.450 7.015 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc(C(F)(F)F)c1 408872056 JSJIBDZGDWPTBD-UUYOSTAYSA-N 557.506 5.868 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4cc(C)c(C)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 408917942 CZNVSMZJZDAIKF-USVCQMFLSA-N 658.754 8.017 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1 408928244 YIXIUWBKDCIUBD-JLKMOJGBSA-N 592.677 5.018 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4c(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408997521 GZGPNODQCWFIJC-ASUJOLEISA-N 562.691 5.812 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409030046 BXHKYRKGZFAMGP-PNQAETMRSA-N 813.667 6.085 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409035466 PTBNQMFIUNTJSQ-LFGSITGPSA-N 716.552 5.224 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(F)cc1F 409273378 QHWVQTOCDUWRDL-DJKKODMXSA-N 519.869 5.461 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409274430 WUXVEUVUCSMDSN-PKYOQBLNSA-N 639.174 5.385 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)o1 409384640 DYIGIUBYHYJESU-FSJBWODESA-N 517.519 5.214 5 40 KKBB Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1Cl 9971716 UKOLTBLWHVBRKY-ODAWRTACSA-N 537.104 6.536 5 40 KKBB COc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3n2)cc1 14356430 BRDJAGIXDFXASY-HNNXBMFYSA-N 505.914 5.656 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nc2c1 16610932 MWYBFSRKWYVFCR-RTGRKSDTSA-N 500.580 6.443 5 40 KKBB Cc1ccc2nc(-c3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 100396182 MBYORINFZCMYBY-JWQCQUIFSA-N 577.593 5.838 5 40 KKBB CC(C)(C)[C@H]1CCc2c(sc3c2c2nnc(SCC(=O)c4ccccc4)n2c2nnc(SCC(=O)c4ccccc4)n32)C1 101542602 KNKXRFXQCIZYQZ-NRFANRHFSA-N 626.833 7.088 5 40 KKBB CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccc(Cl)cc1 102646512 SBJYTCGSPSXMOJ-HMILPKGGSA-N 501.970 7.208 5 40 KKBB COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 102979651 MDFUAEVLYTZLFK-XTFSCAMASA-N 602.043 6.875 5 40 KKBB C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 103129702 NYNCJUJDDXZMDU-AWEZNQCLSA-N 557.510 5.709 5 40 KKBB Cc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 103533421 ZYXGEGNZIYMEEU-NIKYWZLZSA-N 555.590 5.885 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(F)cc1 105251020 KBXKDSUCMKRPFL-UHFFFAOYSA-N 552.828 6.329 5 40 KKBB O=C(O[C@H]1CO[C@@H](n2c(=O)oc3c(Cl)cc([N+](=O)[O-])cc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 150369796 WEAGHRCJBNUSEH-NWLKPOKESA-N 659.003 5.362 5 40 KKBB COc1ccc(CCNC(=O)c2ccc(Cn3c(SCc4ccc([N+](=O)[O-])cc4)nc4cc5c(cc4c3=O)OCO5)cc2)cc1OC 150430261 SNXXYTYAAZZRPG-UHFFFAOYSA-N 654.701 5.364 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl 214795504 SFYMCMFPNVXGFH-UFFVCSGVSA-N 546.344 6.839 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1 223915047 MNKUYRJNQXWSQT-FTJBHMTQSA-N 515.595 5.502 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224879879 PTJPPGSCXHFTML-WJOKGBTCSA-N 649.169 5.608 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225040782 ZOBJNNBDWDHAGH-WJOKGBTCSA-N 683.614 6.262 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225728977 JCQHXOSQJYJDTB-NFQMXDRXSA-N 635.570 5.819 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261074377 QDPXPPOYZRQAAU-QNLPTKCRSA-N 697.641 6.652 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 408565606 LNEGAFYGSOXHAB-GHKAFPQUSA-N 566.452 5.257 5 40 KKBB Cc1ccc(NC(=O)COc2ccc(Br)cc2CNc2ccc([N+](=O)[O-])cc2)cc1Cl 408608001 LMSQCGGRJYBJJN-UHFFFAOYSA-N 504.768 5.949 5 40 KKBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 408639348 FPHGDYFNMMGBGY-VEYWIMSWSA-N 638.460 5.782 5 40 KKBB CCCCOC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)OCCCC)c3cc12 408720404 NJOXDQAVVIIZRR-UHFFFAOYSA-N 532.640 8.031 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408734508 HFOZDNOQLLYKPS-GONGWJOBSA-N 592.717 5.902 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408824495 QOHHELKQQZBYJH-ZJTZAHLKSA-N 747.451 6.754 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 408830737 OGHCUWVBVNJFPC-SJJVXOANSA-N 593.026 6.301 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc(Br)ccc4c3Cl)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408847035 SGZNDCYBBXLABK-YBFXNURJSA-N 627.856 7.188 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OCC)c4)c(=O)n32)cc1OCC 408956837 ZTGYQMNEJDWTDO-GTGQMDHASA-N 816.583 5.428 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 409030729 FKSPRNFOMDEKND-LCQSEVKBSA-N 587.654 5.062 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409047643 PDBJUWYNWWIZBM-OOIQZMFUSA-N 542.975 5.689 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409103601 AOOHYFCYZBSFAE-SWBDNCPRSA-N 678.836 6.633 5 40 KKBB COc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OC 409111414 CMQMVVFHSJXTOL-GDLZYMKVSA-N 588.458 6.736 5 40 KKBB COc1ccc(N(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 409113574 HLUHKXXBZVCEAE-UHFFFAOYSA-N 573.933 5.118 5 40 KKBB COc1ccc(Cl)cc1C1=N/C(=C\c2cc(Br)ccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)O1 409188046 FJBJFULOXYLNFD-AOWRSFTHSA-N 583.778 5.983 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 409188971 LSRQYEILJYKBLH-NCHPMYSESA-N 553.752 5.974 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409225758 OPEYQQOGUGDODE-FOKLQQMPSA-N 664.893 6.803 5 40 KKBB Cc1cccc(C)c1OCCn1c(C(=O)NS(=O)(=O)c2ccc(NCCN3CCOCC3)c([N+](=O)[O-])c2)c(C)c2cc(Cl)ccc21 585271503 HCDMFCYVSQXEES-UHFFFAOYSA-N 670.188 5.070 5 40 KKBB O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(N2C(=O)CS[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1822955 RJNLCBIEBIMOFL-DNQXCXABSA-N 522.564 5.060 5 40 KKBB O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3)Nc1ccc(Cl)c([N+](=O)[O-])c1 3347243 JHHJOWVUGGEGJI-UHFFFAOYSA-N 541.054 5.678 5 40 KKBB O=C(CSc1nnc(-c2ccco2)n1-c1ccc(F)cc1)Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1 6148161 PLSFSLYZBJULCD-UHFFFAOYSA-N 536.570 5.353 5 40 KKBB Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c2)cc1 13856539 SVPUMLOFRPBOAD-UHFFFAOYSA-N 510.502 5.988 5 40 KKBB COc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c3ccccc3n2)cc1 14356432 BRDJAGIXDFXASY-OAHLLOKOSA-N 505.914 5.656 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccc(F)cc1 97954249 GUCSZVFFEVMVRB-UBFVSLLYSA-N 533.899 5.698 5 40 KKBB O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1ccc2c(c1)nc1c3ccccc3c(-c3ccc(Cl)cc3)nn21 98044995 PFLZVTIHVWNTHP-UHFFFAOYSA-N 641.518 8.025 5 40 KKBB O=C(COC(=O)c1ccc(-c2cccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1)c1ccc([N+](=O)[O-])cc1 100044569 KNOQTUAXRHAPSL-UHFFFAOYSA-N 568.494 5.249 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1c(-c2c(F)cccc2Cl)noc1C 101176894 QTVDQTATVMUOPK-NUDFZHEQSA-N 604.038 5.828 5 40 KKBB Cc1ccccc1N1C(=O)[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@H]2C1=O 102743373 WUEIGWUXFIVMAO-OZNIXHKMSA-N 549.539 5.174 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 102889852 MGXMYFRTHHVETP-OCBJUFRSSA-N 593.592 5.654 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 163780844 BUTKGICFVXGRIY-HWANIQDNSA-N 631.710 5.823 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 198319825 FGTWDMQNAGBIMW-UHFFFAOYSA-N 660.730 5.700 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C 224107105 IGAQKPOPKSRYJI-SVBPBHIXSA-N 541.633 6.330 5 40 KKBB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 224351450 AWHLQNRDGNORLO-FTJBHMTQSA-N 500.580 5.998 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 224752740 UOYBPFYHNDGFDD-XZWHSSHBSA-N 564.623 7.228 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 224930655 MWQLMULWXZWYKA-LJAQVGFWSA-N 627.163 5.022 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225037191 CMRKELSHYHJCQY-AREMUKBSSA-N 574.530 6.300 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 408571861 PSQIHQMMFNSVCU-AREMUKBSSA-N 583.508 6.653 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408607302 KSMZAOPRMXXISO-UHFFFAOYSA-N 589.264 6.539 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408642273 MPXHIIYCUYAUCO-UHFFFAOYSA-N 933.969 8.707 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408683652 LWNIYWWVAPVIIN-ZYNNUQKQSA-N 692.981 6.906 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408770553 YYFDHGGSXWEABN-ZYZRGQPVSA-N 805.707 7.611 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408919720 BROPRXQVEAFOCN-QARYAGPDSA-N 610.113 5.730 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n21 408951903 VEGXZRSFUADMTL-IYVASWNSSA-N 652.523 5.435 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409102713 ZJYDYLYIDJNOSI-NLTKXKDSSA-N 667.794 5.507 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409107322 QWRCICHWZUGTCW-PSAPEEBNSA-N 657.148 6.087 5 40 KKBB C[C@@H](NC(=O)COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)c1ccccc1 409122526 ZESUXNVSSHIRTC-AYAMJOBCSA-N 626.713 7.212 5 40 KKBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1Cl 409310339 AJFABWVSRLXVPH-UTCJRWHESA-N 604.184 5.856 5 40 KKBB O=C(N[C@@H](CCCCNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O)OCC1c2ccccc2-c2ccccc21 642811034 SSGITEQCSCXMRC-VWLOTQADSA-N 534.525 5.077 5 40 KKBB CCCOC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)OCCC)c3cc12 3191196 HMWBZJHCUOIIKD-UHFFFAOYSA-N 504.586 7.251 5 40 KKBB COc1ccc(Cn2c(-c3ccc(F)cc3)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1 8836283 HXZKTBHLNXUQHP-UHFFFAOYSA-N 507.315 5.128 5 40 KKBB O=c1[nH]c2c(s1)[C@H](c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl)[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11990744 QOGOWCLXSZOUGF-DJYXNWAGSA-N 501.029 6.229 5 40 KKBB COc1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 35304373 XTNYWUMMEDTUFN-UHFFFAOYSA-N 505.310 5.285 5 40 KKBB O=[N+]([O-])c1cc2c(c(CSc3nc4cc([N+](=O)[O-])ccc4n3-c3cccc(C(F)(F)F)c3)c1)OCOC2 51103596 MYLFLCOURGKBQT-UHFFFAOYSA-N 532.456 6.020 5 40 KKBB O=C(NCCOc1ccccc1Cc1ccccc1)c1cc(C(=O)NCCOc2ccccc2Cc2ccccc2)cc([N+](=O)[O-])c1 100286268 AWUZIOTWIJVQKN-UHFFFAOYSA-N 629.713 6.394 5 40 KKBB CCCOc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103288082 RWNXCLOGXUGYJO-LRXFEKEMSA-N 599.643 6.365 5 40 KKBB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 112241799 GSBSCTONNFJYQG-RMKNXTFCSA-N 599.418 6.417 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCCCC1 205798276 OQFBDIHOICPHCW-UDWIEESQSA-N 535.500 5.455 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223338754 HCGHPQHZTXIVBT-FQEVSTJZSA-N 621.543 5.431 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)o1 224687747 BUVCVSMGJBHIIP-IOWSJCHKSA-N 578.650 7.536 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260849654 DCGDULVVFQSOPT-HXUWFJFHSA-N 696.020 5.465 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc(Cl)c1 408564906 ASDYPOUIOXYGAF-DEOSSOPVSA-N 603.926 7.079 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)cc1 408565592 CLSDNCCKAQFOCM-RUZDIDTESA-N 569.481 6.426 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)cc1C 408565765 DBWHHPGEWJRQAK-VWLOTQADSA-N 509.031 6.535 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1ccc(Cl)cc1 408569865 JZJACNYSBDMRIX-QHCPKHFHSA-N 560.419 6.480 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)cc1 408569967 KJVMBJQTSGRWNS-VWLOTQADSA-N 587.471 6.565 5 40 KKBB Cc1c(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 408588993 XPXSWHKFNXCAFH-UHFFFAOYSA-N 552.834 5.149 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408678797 DBYPIVLARKJKJV-FZDFQQAASA-N 529.552 5.044 5 40 KKBB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])c1 408727290 QZNJLKXVJFCVQI-WXHPKRHJSA-N 632.672 6.792 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408832508 ZCWFZHBDRLRKSM-LYRGBEMXSA-N 674.997 5.603 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408835589 OFXVMUJXMIBYTP-XGLZOBASSA-N 709.531 5.487 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)c(=O)n32)cc1 408854206 ZQAPQFZBQVZBMS-GSTVVXAASA-N 677.695 5.881 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 408884681 VIYZFKPMWNHBRD-JMIUGGIZSA-N 626.363 6.320 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408909956 HXFNVPHIXUEIJB-HNVAQCFTSA-N 866.528 7.189 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1OC 408920493 JJOYVNIJIKHQIT-KFOJKGMOSA-N 652.729 5.035 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408927261 UTPJLXVYIYHXCM-NLRVBDNBSA-N 578.444 6.337 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408990391 VHQCDEODYKRREQ-SWBDNCPRSA-N 707.761 5.449 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1c1ccccc1Cl 409054502 AQTBOUXOCVISPO-MTJSOVHGSA-N 501.347 6.722 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1 409104925 LHFXQXUYHBIAOK-CJIXEESDSA-N 726.631 5.213 5 40 KKBB C[C@H]1C[C@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 1784082 ZWYADODLGKHDSA-MMTVBGGISA-N 536.544 6.330 5 40 KKBB COc1ccc(NC(=O)CSc2nnc(-c3ccc4ccccc4n3)n2-c2ccccc2)c([N+](=O)[O-])c1 14945360 IBTIAJHKBFDPGF-UHFFFAOYSA-N 512.551 5.130 5 40 KKBB COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccccc1[N+](=O)[O-] 73417889 ZJNJEOUPJKYYQJ-UHFFFAOYSA-N 528.565 5.124 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)cc2[N+](=O)[O-])cc1 100369820 QQZGUKYMGLKHCP-ITYLOYPMSA-N 574.684 5.440 5 40 KKBB O=C(CSc1nnc2c3c4c(sc3n3c(SCC(=O)Nc5ccccc5)nnc3n12)CCCC4)Nc1ccccc1 102433200 OACSCPZTYSPVGA-UHFFFAOYSA-N 600.755 5.327 5 40 KKBB O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 103081234 RGENHGIXTJSBJA-NRFANRHFSA-N 536.755 5.208 5 40 KKBB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 103083544 CYFWYBBMERRGAZ-RWVGPTSPSA-N 545.595 7.238 5 40 KKBB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 103139133 AFSIYFNFMIQAHI-RGEXLXHISA-N 534.524 6.189 5 40 KKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 104221731 JDJGPIDRJNGLIS-UHFFFAOYSA-N 535.398 6.580 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 104676960 BIPMWEIBEPFUHG-AOFXREQWSA-N 625.747 6.189 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3)nc2c1 109958709 RVTLNSCCFAPNRB-AWEZNQCLSA-N 553.438 6.806 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 205774853 LDJNEXJAPUNIGL-FOKLQQMPSA-N 681.302 6.786 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222755404 DNSFVMUBRCLWDD-NRFANRHFSA-N 512.459 5.467 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224595356 XXPJSNHHHWFWBE-XIFFEERXSA-N 723.248 5.935 5 40 KKBB O=C(O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224783713 LVWNRFIJVSJIIR-URLMMPGGSA-N 593.690 6.807 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 225071099 UEJDPCQSDBYGJU-LJAQVGFWSA-N 661.608 5.675 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225372567 NWOGSCIGBKSMDA-AREMUKBSSA-N 508.018 5.347 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225729053 FEECKZBVYZYRTH-NFQMXDRXSA-N 635.570 5.819 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 408566039 DPKJBFJAKJZMGL-XMMPIXPASA-N 587.471 6.483 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 408567783 HJEXGBMVYLBTOT-NJLXRYBVSA-N 532.811 5.794 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl 408571936 QAIYJPZYCRJPLY-XMMPIXPASA-N 603.926 6.998 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 408575286 UBCPDLXBRADGIM-DHZHZOJOSA-N 583.066 5.230 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(C)cc3)cc2Cl)cc1 408576544 XRHGADBQAIGIOP-DEOSSOPVSA-N 543.476 7.188 5 40 KKBB CCOc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408634636 SWPHVNXUSDRPQJ-XYGWBWBKSA-N 581.050 6.722 5 40 KKBB Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 408643105 FODKVSCJYYTFTC-DEOSSOPVSA-N 594.576 5.694 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408647834 VSWWVMDOKFBHSF-DPQOWFAMSA-N 576.005 5.702 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Br)cc1 408678082 CMZMYEYWTLYILS-QYVRTBTHSA-N 636.458 5.490 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408735027 MJPMZPWYXCAMSI-OKMHPQNISA-N 704.714 5.213 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408829150 KTEMWRHKVHYKIT-PRLWALMFSA-N 666.550 5.826 5 40 KKBB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 409045270 IIVPOGNKMYRNHR-RQZCQDPDSA-N 511.339 5.080 5 40 KKBB O=C1S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1CCOc1ccccc1 409050840 AZNNHYRYUJYVKD-HMAPJEAMSA-N 728.302 6.498 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)c1 409155136 CAWUVOPPZNQWEO-UUYOSTAYSA-N 572.089 6.796 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409175184 WZEZSRCDJUHDEX-CVKSISIWSA-N 561.616 5.864 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)nnc1-c1cccc(Cl)c1 409187756 BNJZIFCOMFLURZ-VMCUCKNMSA-N 764.289 6.874 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)c1ccccc1 409225053 OEABZUFSMWQOED-WSDLNYQXSA-N 505.464 5.215 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409274077 UWAQZHDHGBCDPR-WYMPLXKRSA-N 568.007 5.819 5 40 KKBB COc1cc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)c(OC)c2)ccc1NC(=O)c1ccc([N+](=O)[O-])s1 3187564 QEPVBWLIUBIQOV-UHFFFAOYSA-N 554.562 5.815 5 40 KKBB O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 59331951 UYWNNUMSQIQKQB-UHFFFAOYSA-N 516.985 6.083 5 40 KKBB COc1ccc(C(=O)Nc2cc3c(cc2[P@@](=O)(Nc2ccc([N+](=O)[O-])cc2Br)N2CCOCC2)C(C)(C)[C@H](C)N3C)cc1OC 97984788 QSBWAVKAUZRQKC-AXGCOFCFSA-N 702.543 6.005 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 103522547 BTNNBBAJKPBJBU-LUIYPFIDSA-N 541.563 5.577 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)nc2c1 105312598 DMMIKELWMUHPJF-KRWDZBQOSA-N 540.601 7.303 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 150387064 VRMDMEFDOXDSOI-UHFFFAOYSA-N 687.517 5.244 5 40 KKBB O=c1/c(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163224111 MCPATJVLXSWISP-GSTVVXAASA-N 650.554 6.568 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 214715715 GCRCPDATKSEQCS-KEBDBYFISA-N 532.361 6.334 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Br)cc1 214933774 UYBYWQFRFVBWHL-VXLYETTFSA-N 519.760 6.507 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 214991488 HQUOYVDWWIEDNG-CVKSISIWSA-N 561.616 5.864 5 40 KKBB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224413497 AVHZJOGZKAMPAK-SANMLTNESA-N 651.569 5.357 5 40 KKBB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1ccco1 224766188 JAKTZBHNBFRLRF-XZWHSSHBSA-N 581.723 7.378 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225731090 ROIMBWORBLGLCM-SANMLTNESA-N 645.178 5.401 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 260943504 SHYUBKBRGBWUJN-GDLZYMKVSA-N 661.608 5.757 5 40 KKBB COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408554849 DNWJRKPOEDBYHZ-QFIPXVFZSA-N 501.904 5.736 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 408564844 AOKLGLOMFXZHJR-RUZDIDTESA-N 543.020 6.456 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 408566030 DPFVTJPQGPCTBT-VWLOTQADSA-N 525.030 6.235 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 408569617 JWMRWOUWPRZMOF-AJZQZXEDSA-N 525.964 5.025 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)n1-c1ccc(F)cc1 408571830 PQLZZXNKARSDGY-HSZRJFAPSA-N 577.863 6.820 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408573454 SXKMPOSVAWOAPX-XMMPIXPASA-N 638.371 7.651 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408630804 BFSNKQOYSBDNGG-OYKKKHCWSA-N 550.593 5.985 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C(=O)O)n[nH]1 408632570 RLMFFGPXKYUZSI-NHDPSOOVSA-N 526.958 6.137 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408689244 XZFDNWBKZIBGIZ-ZBWOKKAISA-N 697.098 5.190 5 40 KKBB O=c1/c(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408775709 UKKAKKIJPXJVDY-HAWPWTPLSA-N 629.141 6.883 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408856697 LDENRUZUDFFWLO-SUAMDDGLSA-N 608.072 5.407 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409105572 LETLEYCMGVQGAW-ADUBFANXSA-N 662.768 5.753 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccccc1 409113603 HTEZZPDTVZKJAJ-MHZLTWQESA-N 518.400 7.263 5 40 KKBB COc1cc([C@@H](c2c[nH]c3ccccc23)C2C(=O)OC(C)(C)OC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409119160 RAMUPAZHNHWAHI-DEOSSOPVSA-N 564.978 5.901 5 40 KKBB Cc1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3ccc(Cl)cc3Cl)C(C)C)n2)cc1[N+](=O)[O-] 409154566 KJZLHSMDBZZEIG-IBGZPJMESA-N 537.429 5.186 5 40 KKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 409154807 ONZPYAIOIVYWEE-RGVLZGJSSA-N 542.367 5.601 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1 409180842 WKXKNRSXCLMBGN-UHFFFAOYSA-N 518.232 5.323 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 409182014 HNCYODBHZKNVRK-SANMLTNESA-N 575.360 6.483 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409205315 BHMHCQSWMHDREU-JJFYIABZSA-N 613.004 5.296 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409273417 XVSPZIXBZJLGDQ-DHRITJCHSA-N 613.570 6.036 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409273740 RZMILYTZNYKGMF-AFUMVMLFSA-N 547.589 5.474 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(Br)cc3Br)C2=O)o1 409400680 QCAUZSAKCHNUOE-WSVATBPTSA-N 714.117 5.934 5 40 KKBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)N1c2ccccc2Sc2ccccc21 6474599 XFERANAJRQEDOH-UHFFFAOYSA-N 537.626 6.764 5 40 KKBB COC(=O)CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)OC)c5C)C([C@@H](C)OC)=C4C)c([C@@H](C)OC)c3C 8398409 CUTDADSGRZYNSN-DNQXCXABSA-N 654.808 7.594 5 40 KKBB biogenic COc1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)c(C)cc1[N+](=O)[O-] 12542376 KCZLKPDDZPASOQ-UHFFFAOYSA-N 507.547 5.089 5 40 KKBB Cc1ccccc1N1CCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CC1 13098812 LEOGLHJSBZGYCG-DEOSSOPVSA-N 509.404 5.168 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@H]1C(c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)N(c2ccc(C)cc2)N=C1C 16292768 IHHQXWNDVVPVIP-ZVBBVAIHSA-N 509.566 5.373 5 40 KKBB Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C(=O)c2ccccc2)c1 17025759 AYRRXZIVXSDARM-UHFFFAOYSA-N 513.937 6.292 5 40 KKBB CCCc1ccc(C(=O)N2c3ccccc3[C@H](N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)C[C@@H]2C)cc1 29491437 OIAHKRFFTUUJSB-FSDXYOIWSA-N 559.666 7.774 5 40 KKBB COc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(OC)c1OC 59609142 PCHURLWFAPCIFN-SSEXGKCCSA-N 539.588 5.982 5 40 KKBB CC(C)(C)[C@H]1C/C(=C/c2cccs2)c2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3)c2C1 97979674 WLKDTOGASWHFIL-IZBXUMLASA-N 555.656 7.149 5 40 KKBB Cc1ccc(C)c(C2=NN(c3ccccc3)[C@@]3(SC(c4ccccc4)=NN3c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 98002721 XYVIVOCDTMZBEJ-DHUJRADRSA-N 581.701 8.210 5 40 KKBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Cc1c2ccccc2cc2ccccc12 100045968 GGJWYVJQRHICKI-UHFFFAOYSA-N 534.440 7.195 5 40 KKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105311971 DHHZZPJAWXVKCF-UHFFFAOYSA-N 533.635 5.143 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 111469478 CPEVBIUOHJARMX-GBIJUZDQSA-N 595.608 5.243 5 40 KKBB CC(=O)O[C@H]1C[C@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1 118913741 GVEAYVLWDAFXET-SEPFAZDZSA-N 572.875 6.111 5 40 KKBB in-man O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 150343411 DCWVYNINOMSNGW-UDKDVIIMSA-N 681.542 7.546 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 150454748 SFFGALBEOUKZCX-QRVIBDJDSA-N 648.329 7.334 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 214063440 IGENEKAAACQIHI-YDZHTSKRSA-N 650.878 7.067 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223918954 WUUATCTZMJDCCG-GPNASLBKSA-N 697.641 6.652 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224410189 ADNKKJXKQMSTJQ-QHCPKHFHSA-N 538.497 6.001 5 40 KKBB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1)c1cccc([N+](=O)[O-])c1 224822868 POYPXNPUSMFJRS-UHFFFAOYSA-N 501.564 5.065 5 40 KKBB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1OC 225309635 PMZDLVUYGJUXKB-SXOMAYOGSA-N 559.604 5.020 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2cccc3ccccc23)c(Br)c1 408564435 CVCJRIYGFMHJBV-UOBHGWHPSA-N 558.432 5.750 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(Cl)cc1 408564905 ARZIJLXREJOAIW-QHCPKHFHSA-N 533.412 6.711 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc12 408576498 XNDYLXIOYOOZJB-PMERELPUSA-N 554.672 7.043 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 408611498 SMXPPCZKBOKUID-UHFFFAOYSA-N 500.349 5.304 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408650690 MRFCBPADRIXUTE-YASBFDIKSA-N 746.559 7.253 5 40 KKBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408660528 QGYHWQITVCUHST-NTDMNLGMSA-N 599.426 6.049 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)o1 408756038 HDTBJNVDWLWPHC-JLKMOJGBSA-N 545.620 5.795 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 408830922 ZBIQIRBSXJIIFD-QARYAGPDSA-N 703.398 6.355 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408835032 WQUFHYJNVHTMHL-PYCBVSLESA-N 613.692 5.073 5 40 KKBB COc1cc(CNc2cc(C)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409118804 RCGSKACNDBAHFI-UHFFFAOYSA-N 518.351 6.016 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)o1 409269755 DISNIKPVJYFHTB-WSDLNYQXSA-N 507.524 5.155 5 40 KKBB O=C(c1cc2cc(Br)cc(Br)c2oc1=O)N1CCS[C@H]1c1cccc([N+](=O)[O-])c1 845465 XELFBIPQBJWEPL-SFHVURJKSA-N 540.189 5.114 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(Br)c1OCc1cccc(Cl)c1 2084852 JLLOOKPFBHJHTL-JMIUGGIZSA-N 592.229 6.986 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21 2284660 RSTHWAQKWRIXLS-NDEPHWFRSA-N 525.572 6.884 5 40 KKBB COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1OC 8903910 SGPOQAGPMPGRJQ-GXDHUFHOSA-N 511.490 6.332 5 40 KKBB CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1 12657722 XBRAOICAFOJPIX-QFIPXVFZSA-N 530.625 6.173 5 40 KKBB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14278356 NUDLVTIUEDODMB-UHFFFAOYSA-N 513.337 5.799 5 40 KKBB COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@H](c3ccccc3)C2)cc1 15906601 HYXIPKPUOXVBGC-MHZLTWQESA-N 511.965 7.169 5 40 KKBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 20528743 AZQALDSYNMOSOS-UHFFFAOYSA-N 528.053 5.186 5 40 KKBB O=C(Nc1ccc2c(c1)ncn2C1CCCCC1)c1cc(C(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)cc([N+](=O)[O-])c1 98005195 RFOQPNZJHWYOKY-UHFFFAOYSA-N 605.699 7.809 5 40 KKBB O=C(Nc1ccc(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100009806 GVFZQOYIGZIQEZ-UHFFFAOYSA-N 586.473 5.415 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 100390607 CPZYFUGIRQGUIO-UHFFFAOYSA-N 527.920 7.115 5 40 KKBB CC(C)C(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(O)=C2[C@@H]1c1cccc([N+](=O)[O-])c1 101648368 DDISXWZZZYTVPI-FWUCURJTSA-N 537.660 8.098 5 40 KKBB COC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccc(Br)cc3)cc12 102628990 IIKJPTDBFHBPQQ-UHFFFAOYSA-N 573.377 5.234 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Br)[C@@H]1[C@@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@@H]1C2(Cl)Cl 157678095 ACWWEAABJHNJCH-BJHJUIIRSA-N 763.168 10.100 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(I)cc4)C3=O)o2)cc1[N+](=O)[O-] 205773170 CQHSNRXEAHRPQD-RGVLZGJSSA-N 546.342 6.004 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223563802 PMXCUUBWRMPDJC-UVMFRMCBSA-N 707.249 6.315 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225104630 GLFWIHCESRXIPD-PMERELPUSA-N 606.745 5.355 5 40 KKBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 225292945 MZOKFOVFJVBJCE-PMERELPUSA-N 559.732 6.225 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225501950 QTJYESACFVBNSH-NDEPHWFRSA-N 568.501 6.533 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260964566 ZWQRZRLFNCHLPB-UUWRZZSWSA-N 672.779 6.018 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261038706 YGOKSIGJPLDVAZ-KMRXNPHXSA-N 679.623 6.136 5 40 KKBB CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408558831 WMKDNPXKRKVGGY-UHFFFAOYSA-N 617.665 7.205 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 408569416 WQNOBZFFNMFFJY-LKPITPCFSA-N 549.627 5.872 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)C(=O)O)o2)c1 408634452 UUWWGJICOYTTGA-MTJSOVHGSA-N 525.495 5.148 5 40 KKBB O=C1Oc2ccc3ccccc3c2C2=C[C@H](c3ccc4c(c3)OCO4)[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]3[C@@H]12 408729298 AUVPFNZLIYHVFU-JERNHVHOSA-N 594.963 5.652 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408732731 YAXXPUDGXRFBPG-CTGRGZOBSA-N 690.664 6.241 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408832315 XXFNQDOASZXYFC-XSZPGNIMSA-N 644.027 5.481 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cccc2ccccc12 409046379 KIBSNKHIDJYYHD-ITNPZBTBSA-N 763.464 6.964 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409075362 XKCWNHYRWXUZIL-SRZZPIQSSA-N 603.344 5.019 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 409099998 OZDKICBQRQYUOK-WGOQTCKBSA-N 577.615 5.646 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1 409192537 DSWYVXCWSUZUAK-SEXPAEGTSA-N 699.623 6.011 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409195461 UURVBZZCTSBRJY-YUEMOGKHSA-N 809.326 6.944 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc(-c3nc(-c4c5ccccc5c(Cl)c5ccccc45)[nH]c3-c3ccccc3)cc2)cc1 33355617 WGNOLVFAOUAEST-UHFFFAOYSA-N 552.033 9.946 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@H]1c1cccs1 97971214 BKOYERJOPBZSCY-ICTSSJGQSA-N 534.663 5.991 5 40 KKBB c1cc2c(cc1CSc1nnc3c4c5c(sc4n4c(SCc6ccc7c(c6)OCO7)nnc4n13)CCCC5)OCO2 101189395 DIVVYJYJINBIKQ-UHFFFAOYSA-N 602.723 5.908 5 40 KKBB O=C(Oc1ccc(C2(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)CCCC2)cc1)c1cccc([N+](=O)[O-])c1 102409779 UPCMMMHPGYNEAQ-UHFFFAOYSA-N 552.539 6.802 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(OC)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)c1 103787675 SBXRLGDXQIUXQY-NBQDTTAVSA-N 591.645 5.504 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl 104911550 SUWBQRZXUCSTIX-UHFFFAOYSA-N 561.294 6.176 5 40 KKBB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 105305882 ZMLMBRDEQGTJQE-UHFFFAOYSA-N 529.622 6.083 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)c(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)c1 150436852 DHHIACLQAYFGJC-RIFKOAFWSA-N 759.476 7.340 5 40 KKBB O=C(Nc1ccc(S[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1)/C(=C/c1ccc(-c2ccc(Br)cc2)o1)NC(=O)c1ccccc1 150483294 BBPINRNLQDDVJQ-VJTYTAJDSA-N 773.665 9.499 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214588113 KGTNTQSFFSSKKY-MFKUBSTISA-N 504.564 6.117 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224118739 XOLMZQDRBFYJRH-YTTGMZPUSA-N 628.751 5.265 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccccc1Cl)[C@@]21C(=O)Nc2ccccc21 248336063 NWWPPZXHZYEGEJ-AOFBEVEVSA-N 590.035 6.494 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)O)n[nH]1 408630953 DZDSXDNMXUUXIE-JAIQZWGSSA-N 512.931 5.828 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408689768 ZARGMHCNIKEKEF-UHFFFAOYSA-N 785.852 7.805 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408769275 MJIRQBFJHQNGAM-BHFPBWTASA-N 803.482 5.836 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 408927997 ZJFVHEUOFKNSMS-KFOJKGMOSA-N 652.798 6.128 5 40 KKBB CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409045431 PMRMEOROIDFNLJ-YNMQQHPQSA-N 678.561 5.447 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@H]1c1ccccc1OC 409106827 OQLJHCYYXBMDCP-ZIRCPPMYSA-N 614.749 5.172 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4cccc(Br)c4)C3=O)o2)c([N+](=O)[O-])cc1C 409159447 ZZQGHOHVCHIPQI-NHDPSOOVSA-N 513.369 6.471 5 40 KKBB Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc(Cl)cc4)cc3C2=O)c([N+](=O)[O-])c1 409181152 XXLFSMBLUXAMJD-MHZLTWQESA-N 554.942 6.138 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O)Nc1ccccc1Cl 409234722 XRNWWICSBPSHDU-CVKSISIWSA-N 574.014 6.655 5 40 KKBB O=C(Nc1ccc(-c2ccnc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)n2)cc1)c1ccc([N+](=O)[O-])cc1 3659026 IQCAUPXMVUIIPD-UHFFFAOYSA-N 560.526 6.132 5 40 KKBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)N(c1ccccc1)c1ccccc1 6474591 BXLUPPVLWYHKEK-UHFFFAOYSA-N 507.575 6.300 5 40 KKBB CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12 6600329 CCAHQAJPVNJKTH-UHFFFAOYSA-N 528.587 5.934 5 40 KKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)Nc4ccc(C(C)=O)cc4)cc3c3ccnc2c31 70708086 VBXUDYCVQPWDMY-QGZVFWFLSA-N 535.556 5.218 5 40 KKBB biogenic Cc1ccc(N2C(=O)[C@H](c3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1C 102609694 XZAZIBRNSBYXEZ-BVRKHOPBSA-N 593.481 7.699 5 40 KKBB Cc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc(OC(=O)c4ccccc4)cc3)C2=O)c1 102749036 KEIOUNZRSOINTR-HZFUHODCSA-N 549.539 5.174 5 40 KKBB O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 102894977 BWYFQTHFDLOHJB-CHQNGUEUSA-N 585.572 6.018 5 40 KKBB Cc1ccc(-n2c(C)c3c(c2C)[P@](=O)(Nc2ccc([N+](=O)[O-])cc2Br)N(c2ccccc2)N=C3)cc1 102937820 MDSKPJXWSUKGNG-BHVANESWSA-N 564.380 6.858 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCC(CC2CCC(NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 102967452 OXHBIEOQNFSAES-UHFFFAOYSA-N 538.605 5.954 5 40 KKBB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1Cl 108970385 YPKPGKPTEQJREG-UHFFFAOYSA-N 540.753 5.918 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 163256592 VVQQBJNXJYGSET-UHSYMONFSA-N 662.680 5.945 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224965988 FBCRPFQGPCSBDM-MUUNZHRXSA-N 549.668 5.666 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Br)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@H]2C1=O 248078254 CASFWPMBCHBMJZ-VZVHPENPSA-N 592.833 5.592 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260927467 OCMVRFJCTZKWQX-PGUFJCEWSA-N 812.183 7.612 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261021077 VZROMDPXRREHRA-OUTSHDOLSA-N 624.760 5.138 5 40 KKBB COc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 408526890 CBCYXIRHQOJQKQ-UMSFTDKQSA-N 634.714 7.078 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408640749 IQOKSRUCMIJRCN-SAPQRMKNSA-N 632.456 5.987 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 408767288 FNRSQYZDONAFJD-DKOMQPSQSA-N 766.433 5.714 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408774180 AUNNSNJLGNHKQJ-SUAMDDGLSA-N 652.498 5.187 5 40 KKBB O=C1c2ccccc2C(=O)N1CN(C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(Br)cc1 408837957 AYEAGERZRAOARM-UHFFFAOYSA-N 570.808 6.126 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408943470 SSBDPNKVLCSWNI-UAMLYEQYSA-N 692.588 5.835 5 40 KKBB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 409087489 CSFFUTZZQRDGJY-BKUYFWCQSA-N 703.340 6.116 5 40 KKBB O=C(CCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Br)c2cccnc12 409180875 WQJFAUVBEYNJHM-UHFFFAOYSA-N 578.375 5.843 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12 409181071 VNMDRGHEJIGHPR-UHFFFAOYSA-N 558.634 9.007 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O 409196017 YGAAUMHULGJNCZ-ZQZMGSETSA-N 667.093 7.390 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(I)cc1 409253163 WDAIKMUZRZXZBF-NHDPSOOVSA-N 669.375 6.686 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409274111 BKHIZPZLLGZOCB-QRVIBDJDSA-N 548.577 5.473 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)c1 409275204 SMQYPJRKOLVANC-QRVIBDJDSA-N 554.049 6.691 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21 2284661 RSTHWAQKWRIXLS-MUUNZHRXSA-N 525.572 6.884 5 40 KKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 8835328 NWGHCFPDZISUAX-UHFFFAOYSA-N 504.568 5.970 5 40 KKBB CCCCCC(=O)Oc1cn(Cc2ccc(F)cc2)c2nc(CCCCC)n3c4ccccc4nc3c12 9124539 PWFQULWLZZPEAV-UHFFFAOYSA-N 500.618 7.243 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(c1Br)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 33358560 WXELPYPMLCMPQP-MJGOQNOKSA-N 626.386 7.459 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(c1cc(C)ccc1C)=NN2c1ccccc1 98002719 CISJKYBSEAYNPJ-HKBQPEDESA-N 547.640 6.750 5 40 KKBB CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2-c2cccc(C)c2)cc1 100816743 OFPMVEMJJVVIEJ-UHFFFAOYSA-N 581.054 5.197 5 40 KKBB CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 102974107 PWBCNOWNLUBNBZ-GIFXNVAJSA-N 582.407 5.075 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5cccc(I)c5)nc4c3)cc2[N+](=O)[O-])CC1 105222462 AVOARBGLPABXTR-UHFFFAOYSA-N 582.398 6.496 5 40 KKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105312837 JDHHBWMETBHAER-UHFFFAOYSA-N 573.675 6.652 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163685092 WOSPHTJXBWHUHM-GNZKFENCSA-N 701.204 7.485 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccccc1 163752071 BVHXDHKSHYDBMR-BIWBSIMWSA-N 634.508 5.048 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214421268 XCCFYHVAFOFXEM-WYMPLXKRSA-N 559.427 7.116 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222750799 LJLRZQUQHVYYOB-GDLZYMKVSA-N 655.560 5.483 5 40 KKBB O=C(O)c1cc(C(=O)O)cc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)c1 224788003 PWJTUMXQRQUMFK-FQLXRVMXSA-N 638.683 6.975 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225090408 MYJXFHNBXULPPD-VWLOTQADSA-N 528.436 5.609 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225153727 MQLXDZYPZSGFIK-NRFANRHFSA-N 665.596 5.748 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225319484 JSEOPPQUWDOXMT-LJAQVGFWSA-N 657.189 5.112 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225608525 ZLQVDJSVGQRYKH-SSEXGKCCSA-N 699.613 5.800 5 40 KKBB O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2C=Cc3ccc(Cl)cc3N12 230018039 PVQXMHMJFXHCEH-ONTLXTELSA-N 578.806 5.283 5 40 KKBB CN1C(=O)[C@@H]([C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H]2C(=O)c3ccccc3N(C)C2=O)C(=O)c2ccccc21 245237725 SUVFUFALJBPNIU-OJXFFNQFSA-N 583.984 5.543 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 408567682 QYOQRSDLTHICLL-ZAZCVSCESA-N 577.262 5.903 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408568675 IGPWILZYWZYHEX-DEOSSOPVSA-N 638.371 7.651 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F 408569493 JHUHYCKTELCKHB-RUZDIDTESA-N 557.047 6.683 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1cccc([N+](=O)[O-])c1 408677312 BONCZEFVJLOLDV-UHFFFAOYSA-N 789.969 6.089 5 40 KKBB COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)s2)cc1Br 408825833 JOFUTBXXTHXZOY-UHFFFAOYSA-N 510.369 6.409 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)cc2)cc1[N+](=O)[O-] 408837342 CQTJBZBWPAQRSZ-XDYZZPCYSA-N 680.720 5.211 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408844688 DXYSIDZWLUHYQT-SUAMDDGLSA-N 608.072 5.407 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 408952468 WAQQWITXUZGKRE-HRISCLKESA-N 669.763 6.184 5 40 KKBB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409016487 CTQNQQVXUIMENW-SGEFVQMOSA-N 664.259 6.218 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCCC3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409090582 RJNHAMBCKFCRRZ-QYTZQGLJSA-N 608.164 5.046 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409182832 OZSNVBWGTMNKKM-UHFFFAOYSA-N 531.433 6.353 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccn1 409275765 WPIXXAHNDBYDEI-WSDLNYQXSA-N 584.404 5.259 5 40 KKBB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 409370272 NZPLFELGPICWPU-NRFANRHFSA-N 560.426 5.713 5 40 KKBB Cc1ccc(-c2nn3c4ccc(NC(=O)CSc5nc(C)cc(C)n5)cc4nc3c3ccccc23)cc1 1242021 WVSYYNUEXQXRSX-UHFFFAOYSA-N 504.619 6.149 5 40 KKBB CCO[P@]1(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)=NN(c2ccccc2)c2c(F)c(F)c(F)c(F)c21 2318972 NUBQQBYVELLBPF-DHUJRADRSA-N 507.336 5.439 5 40 KKBB COc1ccc([C@H]2N(c3ccc(F)c([N+](=O)[O-])c3)C(=O)N3[C@@H](c4ccc(OC)cc4)N(c4ccc(F)c([N+](=O)[O-])c4)C(=O)N23)cc1 82178346 GLCKNHHVKAHVQM-NSOVKSMOSA-N 632.536 6.295 5 40 KKBB CCOc1ccc(Oc2cc(Oc3ccc(NC(=O)c4cc5n(n4)[C@H](C(F)(F)F)C[C@@H](c4ccc(C)cc4)N5)cc3)cc([N+](=O)[O-])c2)cc1 97999537 BOUNPTJXZZACTC-CDZUIXILSA-N 673.648 8.996 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 100830915 ARFPDNHPVKDBPQ-VGBJTSDXSA-N 541.563 5.451 5 40 KKBB CCOC(=O)c1c(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccc([N+](=O)[O-])c2)CCC3)sc(C)c1C 103083638 STGCUABYHRHUNT-QNGOZBTKSA-N 599.665 6.670 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 104083987 OZMQFJXXVBCXSY-UHFFFAOYSA-N 539.592 5.156 5 40 KKBB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 105222291 UAXFXCCCLOEGFP-UHFFFAOYSA-N 518.765 7.830 5 40 KKBB O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 106016262 FHJDUXIIMCMZBY-ZONZVBGPSA-N 604.402 6.172 5 40 KKBB COc1c(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc2ccccc2c1Br 112233438 XXAXNCHHPFNMBF-UHFFFAOYSA-N 517.386 5.256 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]23)cc1 150365439 YDBRFTUWPFMXJZ-OHKLAEMPSA-N 697.143 7.454 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)c(=O)n31)c1ccccc1CC2 163195822 GWNGZSYMGCAOHM-FVUNBJOLSA-N 632.654 5.936 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163682948 SBCSNVCEKXWMSN-ORVZPOCUSA-N 651.053 5.069 5 40 KKBB CC1=C[C@@H]2N(c3ccc(C)cc31)[C@H](C(=O)c1ccc(C)cc1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 229874011 XLAZJFUBGHRGIC-RJISQBBCSA-N 583.644 6.458 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260871912 KXIOKCINIIJSSL-UUWRZZSWSA-N 688.803 5.280 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 408554797 DICGHDVNBRPDSG-UHFFFAOYSA-N 500.349 5.304 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408564754 FTOJUAKUKNNPND-NUWWLQTNSA-N 598.881 5.745 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408565516 LFSJWGRUDUUOOB-OTGIWPJISA-N 621.315 6.256 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408572614 RMIPVGNDNUJBFJ-XMMPIXPASA-N 545.448 6.580 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408676675 BDLHGCSXWAGYLT-QKCPIRFBSA-N 697.098 5.190 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408733380 HSAHOKJDSLUDQN-UPWSPCOFSA-N 650.496 6.533 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408821008 BHSIFYIGWMIPPE-ISZRBDKASA-N 728.621 6.600 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 408948589 KSYMSPXURIQZTP-ORVZPOCUSA-N 652.523 5.435 5 40 KKBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C 409125191 JJBBEYWGAPCLRA-LJQANCHMSA-N 570.981 5.253 5 40 KKBB CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c(OCC)c3)C(=O)O2)cc1OCC 409192662 DQHZLVICNSRSJT-CVGIPWMOSA-N 572.570 5.754 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409228644 BYRZJQHWGBDFAE-SSDVNMTOSA-N 584.950 5.632 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 409238676 BFLOSXLJKQBZJY-YDZHTSKRSA-N 628.457 5.629 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409274564 PQKCTQIOQPDSLH-FSJBWODESA-N 587.835 6.509 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409276204 OZOWLAOALHEKQX-FOKLQQMPSA-N 555.515 5.136 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(Br)c3OCc3cccc([N+](=O)[O-])c3)C2=O)o1 409400327 ONOZNEUVRYYMFW-OCKHKDLRSA-N 590.770 5.062 5 40 KKBB CCCSc1nc2sc3c(c2c2nnc(SCc4ccc([N+](=O)[O-])cc4)n12)C[C@@](C)(CC)OC3 1860967 JWHROAOPDHMKPB-HSZRJFAPSA-N 515.686 6.283 5 40 KKBB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]12 8722269 PPBYQEBXORGYAT-FPMFRTRJSA-N 503.352 5.102 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 14278535 QFVYUKMWFVSBID-UHFFFAOYSA-N 513.602 5.336 5 40 KKBB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 34718946 VZHMZZKTCMYZDK-NHDPSOOVSA-N 513.453 5.185 5 40 KKBB Cc1cc(CSc2ccccc2)ccc1NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 59887655 BDDXYRWYRWDIDP-UHFFFAOYSA-N 547.658 6.030 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cnn6c5N[C@H](c5ccccc5)C[C@H]6C(F)F)nc34)c12 97945897 INDMANXMLOJNSL-HOCLYGCPSA-N 538.534 6.360 5 40 KKBB CCN(CC)S(=O)(=O)c1ccc(Sc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2OC)c([N+](=O)[O-])c1 97982608 CIPVOBJNDQZDMF-UHFFFAOYSA-N 557.610 5.032 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 97983824 UVMLGXOHJPBVFH-AMDUHLOVSA-N 558.585 6.146 5 40 KKBB C[C@H]1N(C)c2cc3c(cc2C1(C)C)[P@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)OC(c1ccco1)=N3 97984727 JWPDOGMRBRYFKW-VROVETCOSA-N 614.437 6.495 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C(=O)c1ccccc1-c1ccccc1)[C@H]1OC(=O)c2ccccc21 102920654 YXKBCIIQJQYDFH-NAKRPHOHSA-N 520.497 5.180 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 103538975 WIXOSKXCILXJHS-DZDVJMQSSA-N 576.008 6.230 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 103787601 QXCNPQUXDGSNAI-MIUGUJGPSA-N 584.028 6.279 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 104658978 LMIDBXSMROOQKQ-NULZLWRNSA-N 566.038 6.140 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 106735124 QHPKDEUREKHENW-NHDPSOOVSA-N 578.983 5.400 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1)Nc1cccc([N+](=O)[O-])c1 139014789 XLMWDPWHKIJOAR-HXUWFJFHSA-N 525.517 5.075 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c2=O)=N1 164207234 MBRVDSBYFABGCW-ZCWBPALNSA-N 672.543 6.071 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccccc1 164524653 LOVZBKQKAYLADF-POKSHJSXSA-N 775.475 6.948 5 40 KKBB O=C(CSc1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)(F)F)cc1 215716842 VSNBOWSDUBRNSS-UHFFFAOYSA-N 534.468 5.264 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222875503 WKZCURRSMSFULR-SANMLTNESA-N 661.177 5.101 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408727256 DTJFQUSXEDQMEX-VVHYXOSJSA-N 750.432 8.853 5 40 KKBB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 408729375 ZFSUIOQLAKLRPN-AGYDLCDTSA-N 568.221 5.313 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408735502 SZSWIMVIQJRCLX-USDTVRPUSA-N 617.680 5.072 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408833541 SXXBYBIYQNWKIL-FQKMCRJQSA-N 727.431 6.119 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCN(c2ccccc2)CC1 409008985 PZHVIADYWPBNDW-PCLIKHOPSA-N 671.957 5.975 5 40 KKBB CCC1=C(CC)C2=C(CC)C3=C(CC)C(CC)=C(C=C4C=CC(=N4)C=c4cc(CC)c([nH]4)=C(CC)C1=N2)[N@+]3([O-])CC 504823407 GILYDNYJNRJERM-RRHRGVEJSA-N 550.791 7.738 5 40 KKBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 668921 SAYZUDCOQSAFGF-ZDUSSCGKSA-N 502.980 5.108 5 40 KKBB COc1ccc(-n2c3c(cc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)c2=O)C(=O)CC(C)(C)C3)cc1 1799091 XUGMWSGVGDIRKA-UHFFFAOYSA-N 537.572 5.829 5 40 KKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)c(Cl)c3)c2ncn1Cc1ccccc1Cl 2253773 UXOKXEIWUFUEPS-UHFFFAOYSA-N 506.780 6.292 5 40 KKBB O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 13098508 ISTCXVYMOBZQPT-UHFFFAOYSA-N 505.484 5.101 5 40 KKBB CCOc1ccc(N=[P@]2(N(CC)CC)/C(=C3\N(C)c4ccccc4C3(C)C)C=NN2C)c([N+](=O)[O-])c1 32693763 WSYLXTKGAQJFAR-LVRZHGIBSA-N 510.579 6.568 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(CCCC2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 95676380 MCPYWEANRVMFQB-UHFFFAOYSA-N 678.543 7.660 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)SC(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccccc12 102416680 MPNWBVUYHIRPHZ-HKBQPEDESA-N 551.693 7.517 5 40 KKBB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1 103106928 MWSYWTVXGILFCG-UMSFTDKQSA-N 564.641 7.690 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1cccs1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 103554057 PPCVFMUUBPASDY-FFAHVWSXSA-N 561.619 5.903 5 40 KKBB COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])c(N4CCOCC4)c([N+](=O)[O-])c2)[C@H]3c2ccc(OC)cc2)cc1 104048113 OZJVAOCOQMONBF-KDKBXMAASA-N 627.654 5.794 5 40 KKBB CC(C)(C)c1cc(/C=C\c2cc(/C=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c1O 104108725 XATKKLKCHOLDIJ-VCFJNTAESA-N 628.810 10.445 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 104912527 ZMUNQAJFSKNWTB-UHFFFAOYSA-N 534.016 5.063 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105312038 UKKXZYVRYGHAFH-UHFFFAOYSA-N 552.081 6.642 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 108169094 RJMUPEWQHPEWPS-MIUGUJGPSA-N 617.680 5.071 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 112243101 WKVXSUWGZZBROG-UHFFFAOYSA-N 559.648 5.168 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 150395544 JIXDBVXMSZTQLX-KUSDHMTMSA-N 637.739 6.134 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1Br 150450901 KHLJOYIAPCVLOW-YCHSVXFSSA-N 650.485 6.348 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6Br)o5)c(=O)n42)c2ccccc2CC3)cc1OC 163267457 BOCZFTUSJREPJV-OIUASMPBSA-N 670.541 6.267 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c2=O)=N1 164176461 FSVPNTZFBLBFMD-PRLWALMFSA-N 638.098 5.417 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214421212 BOEPQLARLPJYJP-FOKLQQMPSA-N 545.400 6.726 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 224684301 FKXGHFKMLZOPSJ-LOYHVIPDSA-N 548.624 7.528 5 40 KKBB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 224851579 PHZPSZHSQJQVAZ-RPBOFIJWSA-N 502.552 5.444 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(Cl)c2)o1 225144287 MWZARBPZCNBAER-SXOMAYOGSA-N 592.077 6.683 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 225253458 CUHLGOGDTLJTBC-CLJLJLNGSA-N 564.023 5.665 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225372112 DNZAOBIUJIGNBB-MHZLTWQESA-N 554.112 6.038 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225578558 TVZUTVQSHUMJMT-XIFFEERXSA-N 776.139 7.624 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc3c(c1)OCO3)[C@@]21C(=O)Nc2ccccc21 229942553 XHWJKRPGZBPKRW-DDWAFBAVSA-N 599.599 5.570 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C 260904419 BPFFGAHQQJQNPP-MGBGTMOVSA-N 642.778 5.511 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1 408569943 KIFXWHWHOVTQNQ-HSZRJFAPSA-N 604.870 6.589 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1C 408640479 IDIZMUBJXQFRLB-UHFFFAOYSA-N 773.026 6.798 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733551 JMTHOSFUAALQLI-JDQWRUTNSA-N 755.032 7.514 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733712 OTGFSNLDLLMUFE-AUTFUCJRSA-N 688.940 5.400 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)Nc1ccc(Cl)cc1 408750850 SLIHAEIKLGXMQQ-UHFFFAOYSA-N 524.967 5.389 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408827293 IMXZJVUYTOMCDV-PRLWALMFSA-N 615.042 5.835 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccs1 408837384 DNHSISBYHRWQPJ-FBRKSOCZSA-N 613.673 5.174 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408846851 LFZAMPZVYVPXEP-CBZJRHMXSA-N 724.839 7.618 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409095833 DLSUONLIBDMFLP-MHRPSJHKSA-N 760.648 5.570 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1Cl 409269585 CVZQMWINDHDSPI-LSHDLFTRSA-N 584.950 5.632 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccccc1 409274962 HACFMXPZGQMYTJ-ZJOBTTRRSA-N 608.720 5.080 5 40 KKBB O=C(COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 1807271 KCGBIECOJGCKQE-UHFFFAOYSA-N 523.932 6.565 5 40 KKBB CCc1nc2c(c(=O)n1-c1sc3c(c1C(=O)OC)CCCC3)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2605172 CRBSVXWPXWHRQJ-UHFFFAOYSA-N 563.683 6.179 5 40 KKBB Cc1c(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 2649612 PLNKKBDYSFHYBX-UHFFFAOYSA-N 536.509 6.484 5 40 KKBB O=C(Nc1cc(Oc2ccc(I)cc2)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 2756603 KVXMVPWOXMKZIE-UHFFFAOYSA-N 539.123 6.007 5 40 KKBB Cc1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)oc12 3168814 LKCKZMBXPIVEFH-UHFFFAOYSA-N 530.367 5.948 5 40 KKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3cc(Br)cs3)nc2c1Br 8398411 NSRURDWHMAOPJI-UHFFFAOYSA-N 701.250 8.094 5 40 KKBB Cc1ccc2nc(-c3ccc(-c4ccccc4)cc3)cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2c1 8843232 CJVPNZNGRINJBX-UHFFFAOYSA-N 502.526 6.825 5 40 KKBB O=C(Oc1cn(-c2ccc(Cl)cc2)c2nc(C3CCCCC3)n3c4ccccc4nc3c12)C1CCCCC1 8871250 ZNYBUSQWWJJTRD-UHFFFAOYSA-N 527.068 8.013 5 40 KKBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(-c3cc(-c4ccc(F)cc4)co3)cc2)NC(=O)N1 27515742 FCCQDUPYGSKQQB-SANMLTNESA-N 512.497 5.928 5 40 KKBB CC(C)(C)c1ccc(C2=NN(c3ccccc3)[C@]3(SC(c4ccc([N+](=O)[O-])cc4)=NN3c3ccccc3)c3ccccc32)cc1 29493234 KUOGZLRGKZXQJK-DIPNUNPCSA-N 609.755 8.890 5 40 KKBB COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 35242343 LHPMEATXQKKTOP-CYVLTUHYSA-N 509.518 5.434 5 40 KKBB COc1ccc(C2c3c(c4ccccc4oc3=O)Oc3c2c(=O)oc2ccccc32)cc1Cn1cc([N+](=O)[O-])cn1 97950377 CKUPZMMTRPCXPP-UHFFFAOYSA-N 549.495 5.347 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]3c2ccc(OCC)cc2)cc1 97971170 OVEBLQBUPDIOPA-MCIGQYRZSA-N 560.050 7.482 5 40 KKBB Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 103558036 WKTLZZXWTWDBJT-CTMYTVLESA-N 555.590 5.759 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 104907782 UXIZSWZDIYHCRI-UHFFFAOYSA-N 526.849 5.523 5 40 KKBB COc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 112246865 NOTASFJCWUHYAV-UHFFFAOYSA-N 524.382 5.053 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c2=O)=N1 150363056 PDDQINPLBQOQMW-FUFNRSNVSA-N 659.493 5.944 5 40 KKBB COc1ccc2c(c1)N(C[C@H](C)C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C[C@H](C)CN1c3ccccc3Sc3ccc(OC)cc31)c1ccccc1S2 150387254 PLCNTDATOHYJQQ-MAZIBIHTSA-N 797.232 12.155 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 163229564 XKFXSIZZPGQBCT-NPNXEGEYSA-N 694.607 6.967 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c2=O)=N1 164188437 RGBXDJCQLQAUMF-KFOJKGMOSA-N 673.744 5.092 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 215250217 YBOZJNYWWWDAIW-ZVHZXABRSA-N 533.562 5.166 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O 225104114 OCABBNMXIWTGES-MHZLTWQESA-N 635.570 5.141 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 225658460 YBNOVAXRTFDULT-SVBPBHIXSA-N 527.606 5.560 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Br)cc3)N3c4cc(Cl)ccc4C=C[C@@H]3[C@@H]2C1=O 248081690 DENCGNQTUBKZOH-VZVHPENPSA-N 592.833 5.592 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260996141 DKXPZBKYRBKOHJ-SFRLIIPVSA-N 690.794 5.801 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 261011714 SLZUNWRHSCXAMF-UUWRZZSWSA-N 654.789 5.797 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)c1 408571270 OCRUVAQTMKGBQM-XMMPIXPASA-N 557.445 6.475 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733137 DYKAWYUDUIVTPE-XFBBMMLJSA-N 618.882 5.927 5 40 KKBB Cc1ccc2nc(-c3ccc(NC(=O)[C@H](Cc4ccc([N+](=O)[O-])cc4)NC(=O)C(c4ccccc4)c4ccccc4)cc3)sc2c1 408738878 WOSLMTNGZIGCHJ-YTTGMZPUSA-N 626.738 7.678 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1 408757538 ZMDDIMNXFUYZBG-JQTKYWOZSA-N 612.063 5.757 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc(Cl)cc1 408778836 MEFUKQZZAFRWBC-HWANIQDNSA-N 650.156 6.858 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1cccc2ccccc12 408840291 DEZMDTHFNXGOPX-IUFRFNOJSA-N 665.771 7.358 5 40 KKBB O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1Cc1ccccc1F 409073437 NBIOYVKKUOODOA-SRZZPIQSSA-N 516.312 5.713 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5OC)o4)c(=O)n32)cc1 409090876 QZZTXXQROHHHTB-JLHDDXNDSA-N 622.659 5.059 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 409095429 BFAWWFFQNUDUMP-UDHMSBBDSA-N 686.787 5.007 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1 409098002 OOGNVIWMBHWIRW-CIAFOILYSA-N 527.942 5.582 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1 409108302 ZTJCMUNRBYKUQV-LMVGNEGFSA-N 726.631 5.213 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409108715 XGUCEUQIDHWRPB-PSAPEEBNSA-N 640.693 5.573 5 40 KKBB COc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 409116962 MTHFBSUQPRIQNK-UHFFFAOYSA-N 522.193 6.320 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)ccc1Cl 409166010 BUJRNIWDYAKEOL-MXAYSNPKSA-N 674.109 5.566 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 409177164 CNBFWZKGXRMUHJ-SANMLTNESA-N 551.467 5.085 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1Cl 409181939 GWMUIUGKMBADMX-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409223747 ITNGGGKELIZDIN-ZMOGYAJESA-N 504.520 5.102 5 40 KKBB Cc1cc(Oc2cc(NC(=O)c3cnn4c(C(F)F)cc(-c5ccccc5)nc34)cc([N+](=O)[O-])c2)ccc1Cl 2110286 ATTJDNVMPIKGJM-UHFFFAOYSA-N 549.921 7.249 5 40 KKBB CC(C)c1ccc(Nc2nnc(SCC(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)s2)cc1 3233063 HUYLKTSGPYRKPT-UHFFFAOYSA-N 576.707 5.333 5 40 KKBB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n2-c2ccccc2)c1 3252800 UWFNUGHBMGVCFR-UHFFFAOYSA-N 581.676 5.032 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@H](c1ccccc1OC(F)F)N1C(=N2)C(O)=Nc2ccccc21 3309649 RFEZRBUYQSPGRC-QFIPXVFZSA-N 516.464 5.932 5 40 KKBB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1[N+](=O)[O-] 8835464 XVQUFNMZMFOOMF-UHFFFAOYSA-N 508.559 6.505 5 40 KKBB COc1ccc(-n2cc(-c3ccccc3)c3c(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)ncnc32)cc1 16712840 PHDGLGRALMICGD-UHFFFAOYSA-N 506.566 5.331 5 40 KKBB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)c2)cc1 20494507 JSPICIQUOLEAKA-ZTKZIYFRSA-N 504.586 7.303 5 40 KKBB O=[N+]([O-])c1cccc(Cn2nc(-c3ccc(Br)cc3)c(Cl)c2-c2ccc(Br)cc2)c1 97947972 LEGXJPQMBROCLH-UHFFFAOYSA-N 547.634 7.352 5 40 KKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 98003561 GTQQFDKTGPNILA-UHFFFAOYSA-N 544.496 6.478 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1 100353449 CSOKZAWDMZFJGE-UCQKPKSFSA-N 554.049 6.637 5 40 KKBB O=C(c1ccccc1)c1ccc(SCCCSc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 100985020 NRDQNERLHHPPLJ-UHFFFAOYSA-N 558.637 7.240 5 40 KKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1)N1CCc2ccccc21 101139943 KXZGQNRMEZHQHF-UHFFFAOYSA-N 524.524 6.148 5 40 KKBB COc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 103780209 WFBMBOZESCJQCX-ITNPZBTBSA-N 596.064 6.149 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1sc2cc(Cl)ccc2c1Cl 105303890 BVCLIZOWLLCCAR-UHFFFAOYSA-N 529.858 5.607 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105322816 UXZTWFIZLMXGDY-UHFFFAOYSA-N 592.908 6.783 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(Br)cc3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 163214698 BDBIIRFRFYFVBG-SJXDCSIJSA-N 640.515 6.258 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 163734178 GQFLWUQCWWQAAW-NXYYLBPMSA-N 714.594 6.210 5 40 KKBB CCCC[Sn](CCCC)(CCCC)Oc1c([C@@H](C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-] 195999647 OVWCACZVTSGACD-MAJYTBHHSA-M 529.266 7.741 5 40 KKBB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 198316831 MTKCXVHMWSGJKA-UHFFFAOYSA-N 635.507 5.536 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214569781 DDKVBKGZVHNIEZ-MFKUBSTISA-N 504.564 6.117 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccccc1 215002059 HITMJZQBBNCOTR-LPYMAVHISA-N 555.406 6.181 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224358386 YMARPSJUZMCWQA-SANMLTNESA-N 554.112 6.036 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225260721 CYVRXNYEMLCKHH-SSEXGKCCSA-N 705.661 6.670 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260922243 MZPBYBVMHDVLAY-PGUFJCEWSA-N 751.277 6.989 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 408647726 VLNLJBTUQSPEPV-ILBGXUMGSA-N 636.444 5.702 5 40 KKBB O=c1/c(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408758115 VMZWRMDXDFFBTM-ISZRBDKASA-N 650.554 6.568 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408779786 KJMRFKCLTVHNAS-KEPJHFNWSA-N 611.035 6.049 5 40 KKBB Cc1c(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408804683 GMXTYUCJWAHBFD-VUDRCFCPSA-N 565.719 7.960 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1 408856288 JTCBRRKKUGJEQP-AZJUONQGSA-N 646.725 5.760 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408923526 FSKNSSPLOTYEOB-JBDWOJPXSA-N 696.829 7.279 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4c5ccccc5cc5ccccc45)c(=O)n32)cc1 409042835 XXIYQVYPOAXFEV-OGMUYLFESA-N 562.691 5.892 5 40 KKBB CC(C)Oc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409133060 ZEXFWUUEERBGTE-SSEXGKCCSA-N 507.590 6.743 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409192385 BYVPTUBSHCZGTE-SELCLYCASA-N 763.729 7.853 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409225192 JRYYRIAINFNIAO-WSDLNYQXSA-N 507.930 5.237 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 409274410 WTERBDVUBQBODM-OYKKKHCWSA-N 517.563 5.466 5 40 KKBB c1ccc(C(=C(c2ccccc2)c2ccc(-c3nc4c5ccccc5c5ccccc5c4n3-c3ccccc3)cc2)c2ccccc2)cc1 2049305482 BTDCYHJSBQMRHM-UHFFFAOYSA-N 624.787 12.006 5 40 KKBB Cc1c(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(SC(F)F)cc2)cccc1[N+](=O)[O-] 3221207 BJGXIYJHFBRAQB-UHFFFAOYSA-N 528.562 5.648 5 40 KKBB CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2[N+](=O)[O-])C(=O)[C@H]13 9234882 YGUPHSYJUKWQMM-MQGQEXDRSA-N 520.626 5.610 5 40 KKBB O=C(OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)c1c2ccccc2cc2ccccc12 12312207 OTDPJFIPWKBSLW-AREMUKBSSA-N 508.961 6.774 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(c3ccccc3)C[C@@]3(C)N(c4ccc([N+](=O)[O-])cc4)N=C(C(=O)OCC)N3c3ccccc3N12 95101040 AZSNWJZCHJVPIN-XDSPJLLDSA-N 704.700 5.882 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=C(O)C1 102453444 UZXJMYMZRFXGLF-PMERELPUSA-N 568.029 8.615 5 40 KKBB O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 102871708 NZYFSQLOPMUSLX-PFBJBMPXSA-N 553.502 5.004 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1cc(Br)ccc1Cl 103629529 QWWSYHMDVYSAKX-MKCFTUBBSA-N 591.849 5.031 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(Br)cc1)N1c3cc(Cl)ccc3C=C[C@H]21 103988271 LZDUQVIBVQDPDJ-KXMWUTRISA-N 608.832 5.292 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 104907788 TZADMQQANINOML-UHFFFAOYSA-N 526.849 5.523 5 40 KKBB O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307977 GSAPIHTVGDTZBQ-UHFFFAOYSA-N 524.002 5.228 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccccc1 111465292 VRGNBZIADBHBGK-ZHGFHMGHSA-N 607.644 5.112 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)cc1 111465670 RMJFDIQGCHBGAD-CLNXTWJPSA-N 607.644 5.112 5 40 KKBB COc1cc([C@H]2c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3N=C3C(O)=Nc4ccccc4N32)ccc1OS(=O)(=O)c1cc(C)ccc1C 150467804 QQNJPDOGIDYWEW-HKBQPEDESA-N 664.700 6.723 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccccc1F 214355797 VUZMQCGZDCYDIF-UFFVCSGVSA-N 597.340 7.544 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223601484 DPXBQMQUNKNNMB-SSEXGKCCSA-N 669.587 5.873 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224462426 ZQZCHKONAWUPRR-HKBQPEDESA-N 683.614 6.263 5 40 KKBB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-n1cnnc1 224765765 OFROSRORVPGRAW-SXOMAYOGSA-N 568.688 5.639 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224897877 OJALDPZUKIIZCZ-XIFFEERXSA-N 675.207 6.142 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225164718 XBJUDKSLBJKINA-GDLZYMKVSA-N 627.163 5.700 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3C[C@H]3CCCO3)cc2)cc1 260925581 VRPBBOVLQJBATP-OFEZKSIWSA-N 557.701 6.299 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408565677 LRILBXPHHMEHSC-ZVFGGPEJSA-N 578.463 5.481 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408567810 RJQDBXVIJFBWEO-XRHWURSXSA-N 558.432 5.703 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F 408570634 LQPQVGBATGHDJX-HSZRJFAPSA-N 563.438 6.719 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408646051 SXJZWIPFEAQGPH-UHFFFAOYSA-N 652.830 6.311 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408762807 GIHZYZVZEVOUSS-HTDPGAKESA-N 738.731 5.570 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408769565 OAEYPCONHFFODZ-RBMXVJLZSA-N 725.530 5.187 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 408806773 BSBJJNRKNNPKIW-LRUGRNCASA-N 630.053 5.896 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 408870956 WFUJRQVNKBTFRG-UUYOSTAYSA-N 515.374 6.717 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)cc1OCC 408935197 MXXSFMRACNZEMG-MKTOWPBFSA-N 773.456 5.828 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408990440 VXNNCDUEORAQCO-NZRLAXAZSA-N 725.404 7.173 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 408996931 FMNYUXBULADRED-FUFNRSNVSA-N 664.534 5.057 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl 409169691 RASVHNLBMJPARX-KEBDBYFISA-N 576.370 5.623 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc2c(c1)OCCO2 409195844 LPIDPRLKRYTFBM-AUEPDCJTSA-N 680.411 6.615 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)o1 409220860 GYTZBFRMSYUOIZ-RGVLZGJSSA-N 513.915 5.192 5 40 KKBB CN(C)p1oc2c(-c3ccccc3)cc3ccccc3c2c2c(o1)c(-c1ccccc1)cc1ccccc12 1776031418 AHZJWCMLBZSNSW-UHFFFAOYSA-N 511.561 10.128 5 40 KKBB O=C(O)c1ccc(-c2cc3cc(-c4ccc(C(=O)O)cc4)cc4c5cc(-c6ccc(C(=O)O)cc6)cc6cc(-c7ccc(C(=O)O)cc7)cc(c(c2)c34)c65)cc1 2048532679 DTIZXLIEKUHXPB-UHFFFAOYSA-N 732.744 11.198 5 40 KKBB COc1ccc(-n2c(CNc3ccccc3Cl)nnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 917372 NCEVMMOHMLASIY-UHFFFAOYSA-N 539.017 5.489 5 40 KKBB CC(C)Cc1nc2sc3c(ncn4c(SCC(=O)Nc5ccccc5)nnc34)c2c2c1CCCC2 1300699 XKQCIDPHKCCLHU-UHFFFAOYSA-N 502.669 5.695 5 40 KKBB COC(=O)c1c(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3CCc2ccc(OC)c(OC)c2)sc2c1CCCC2 1847553 PMJWFQJUIOIFFG-UHFFFAOYSA-N 595.681 5.270 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@@H](OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc2)sc2c1CC[C@H](C)C2 3316441 UKQPTRJSJVQUNI-WNSKOXEYSA-N 557.024 6.148 5 40 KKBB COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cccc(C)c2N(C(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C 8435013 YCEFFPDRMCHBPA-UHFFFAOYSA-N 712.780 5.134 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C2=NCCc3ccccc32)c1 8857482 YNAZVDUACMURGH-UHFFFAOYSA-N 502.618 5.900 5 40 KKBB O=C(Nc1ccc(Oc2cc(Oc3ccc(F)cc3)cc([N+](=O)[O-])c2)cc1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 97997088 DFKCVIOBIUZDHV-UHFFFAOYSA-N 630.514 7.694 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1NCc1ccc(Cl)cc1 100104691 NHECZZAHZZWSHO-UHFFFAOYSA-N 565.877 5.134 5 40 KKBB CCCCn1c(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)nnc1S[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCC2 100817339 RBLGRDZOMCLJNX-QGZVFWFLSA-N 614.750 5.071 5 40 KKBB CCOC(=O)c1c(-c2ccccc2)oc2c1cc(NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc12 101695116 MIZWCMJWLFSIPX-UHFFFAOYSA-N 530.558 6.447 5 40 KKBB O=C(N[C@H](Oc1cc(-c2cccc([N+](=O)[O-])c2)c2oc(=O)sc2c1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 102616774 GGQSNNQHBOMINF-HXUWFJFHSA-N 584.777 5.843 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 102872836 ZOBFGCHQGWUOAD-VJGNERBWSA-N 606.012 5.067 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N(C1CC1)C(c1ccccc1)=N2 102940417 OJXBNMYNKFORHV-VQJSHJPSSA-N 567.590 5.966 5 40 KKBB O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103527694 QOTPHVVLIPXXEX-PBNWVGGGSA-N 610.453 6.883 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 103559993 JSYSUCVPWDEWLW-KCIBBDPESA-N 576.008 6.104 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224024628 PWRDEAWFNBFYKV-HHHXNRCGSA-N 519.667 5.303 5 40 KKBB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224494780 IJHGKNOWFWUNLR-AREMUKBSSA-N 651.569 5.357 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224852494 MPCRYJOHPJWETG-WJOKGBTCSA-N 649.169 5.608 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225104537 KEVQERJTNOWUFP-PMERELPUSA-N 606.745 5.355 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225576418 LJTHUDXOTAHIQP-UMSFTDKQSA-N 741.694 6.970 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260985713 MBCIMUUGFRBRFH-MGBGTMOVSA-N 675.207 6.142 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261045647 ZFVGJQDRLFBEMN-HOFKKMOUSA-N 659.205 5.791 5 40 KKBB COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408556636 JWQUNNXMJUHVDT-JOCHJYFZSA-N 524.904 6.847 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1cccc(F)c1)[C@@H]1CCCN12 408563488 AMIPZIVFUINWHG-UQBYDPJISA-N 552.400 5.222 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 408573661 UAGSTMHWPSUAGZ-QHCPKHFHSA-N 563.438 6.719 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4ccc(Br)cc4)o3)CC2)c([N+](=O)[O-])c1 408577038 ZNJQWKKPPUEUKK-FMIVXFBMSA-N 554.397 5.156 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)O)o1 408633769 PCSBCYHSGVADBY-GRSHGNNSSA-N 578.784 6.547 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408678825 DJLRYXOVPNHPKM-SNINSWTHSA-N 669.088 5.507 5 40 KKBB COc1ccc(OC)c(CSc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4C(=O)O)cc3s2)c1 408749334 FXMLMLUNJYGDRH-UHFFFAOYSA-N 525.564 5.465 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n31)c1ccccc1CC2 408757668 OLQZCFHXJMBQSB-VSQRRKBNSA-N 757.606 6.428 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc(Cl)c([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1OC 408765973 CFAQMXNEBMKYTH-LHJNOJRUSA-N 660.535 6.811 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408854321 CLHLVHXPZQCZIT-SJXDCSIJSA-N 769.614 5.686 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1cccc(C)c1 408919134 TWLYILXOHUQHRF-ZVHZXABRSA-N 539.009 6.771 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OCc5ccc([N+](=O)[O-])cc5)cc4Br)c(=O)n32)cc1OCC 408943803 MEKACQSSTFJRAO-FZGKPRDBSA-N 724.586 5.074 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409042216 WTTPAECYJACPSX-BXMULHQWSA-N 895.510 6.291 5 40 KKBB O=C1/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)NC(=S)N1C1CCCCC1 409082412 LZRIJOAVWVBSHG-NDENLUEZSA-N 595.313 6.089 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409098930 RJSSYXWJWADILV-UQDCTOEPSA-N 605.116 5.542 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409174604 VLMAKSHRRKPFMQ-UHFFFAOYSA-N 623.087 5.329 5 40 KKBB COc1ccc(C(=O)Nc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409180969 ZXJSDFDMOQAXPL-MHZLTWQESA-N 510.502 5.637 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409235225 ZBFODFSQFZXIPM-RGVLZGJSSA-N 540.941 5.119 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 409271712 LHLJVXNMSSHDNO-KEBDBYFISA-N 576.812 6.254 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409274036 UCOMKLRSXPEQPQ-ROTLSHHCSA-N 566.422 6.824 5 40 KKBB CCCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 409276466 RNUYSNCLYJZBBS-NDENLUEZSA-N 596.399 5.306 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409276908 XVXDWJVSJXKRBC-YDZHTSKRSA-N 508.939 5.746 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409374302 LXLCZRXEWNQKDW-DHRITJCHSA-N 629.613 7.405 5 40 KKBB CC(=O)Nc1ccc(S(=O)(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)c2ccc([N+](=O)[O-])o2)cc1 1565721 FXLXKCAHCYPNBG-OEAKJJBVSA-N 557.378 6.141 5 40 KKBB CC/C(=C(/CC)c1ccc(OCC[N+](CC)(CC)Cc2ccccc2)cc1)c1ccc(OCC[N+](CC)(CC)Cc2ccccc2)cc1 4808238 SHZWKGARMNCQEO-VGFSZAGXSA-N 648.976 10.289 5 40 KKBB COc1ccc(OC)c(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)c1 8871112 HEQVVKGOHNZZOY-UHFFFAOYSA-N 511.969 5.311 5 40 KKBB CN1/C(=C2\C=NN(c3ccccc3)[P@@]2(=Nc2ccc([N+](=O)[O-])cc2)N2CCCCC2)C(C)(C)c2ccccc21 97984490 DCALBCSWPZTKGH-SXENRYDHSA-N 540.608 7.889 5 40 KKBB COc1ccccc1/C=C1\CCC[C@@H]2C1=NN(C(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)[C@@H]2c1ccccc1OC 102928425 MOAXSUQGWYIMQZ-KSPZDNIJSA-N 582.657 5.885 5 40 KKBB CC1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(c1cccc3ccccc13)=NN2c1ccccc1 103757305 DMDYVFWRJNVAOZ-YTTGMZPUSA-N 541.636 7.718 5 40 KKBB Cc1c(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cccc1[N+](=O)[O-] 105311547 PRHYJKSNJJKPNA-UHFFFAOYSA-N 517.419 6.614 5 40 KKBB CC1(C)C[C@](C)(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc2N1C(=O)c1ccccc1-c1ccccc1 105630315 LFJKDXPJPKXYHV-WJOKGBTCSA-N 566.570 7.213 5 40 KKBB O=C(Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1)c1cccc(Br)c1 106743391 HVMTZLCGDNXMLM-MTJSOVHGSA-N 539.363 5.813 5 40 KKBB COc1cc(Br)c(Br)c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1O 106745653 VSOKVLJFVSZWND-NSIKDUERSA-N 544.177 5.071 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222729831 MORNQFPHBQBAPE-QFIPXVFZSA-N 645.178 5.401 5 40 KKBB CCn1c(S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633952 QHIFGPHNTPUGIM-HZHRSRAPSA-N 553.065 7.204 5 40 KKBB CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)cc2)cc1 408641957 DMGBPOOKKGLFKJ-XMMPIXPASA-N 578.621 6.492 5 40 KKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccc(-c2ccccc2)cc1 408822047 BBHYLAULQJKRAV-UHFFFAOYSA-N 511.990 7.958 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408916874 HUHBKDIXZPQCPY-ZVHZXABRSA-N 534.546 5.507 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408932796 FBLOTXUTYVZPRC-UUYOSTAYSA-N 571.970 5.650 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c2=O)=N1 409031560 HDRWXUNZOUYSHS-RISWYLRJSA-N 807.404 5.495 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409094096 CTMYXDSMYOKWBU-HRIDGTDGSA-N 696.023 6.007 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(Br)cc2CNc2ccc(F)cc2)cc1 409204082 APCMWGXZJKEHOQ-UHFFFAOYSA-N 510.157 6.450 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409205681 JKQNFHGXYQWOAB-ZVBGSRNCSA-N 663.846 6.395 5 40 KKBB CC1(C)Cc2c(sc3nc(SCc4ccc([N+](=O)[O-])cc4)n(-c4ccc(Cl)cc4)c(=O)c23)CO1 1859304 MIUNCCOCBYSMQY-UHFFFAOYSA-N 514.028 6.152 5 40 KKBB O=C(Oc1ccc2ccccc2c1Sc1ccccc1[N+](=O)[O-])C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 3252012 HDMFVTPLIFVAAJ-UHFFFAOYSA-N 574.096 8.161 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 3769222 YMFSTGBVNYWRDD-UUYOSTAYSA-N 543.370 6.312 5 40 KKBB O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6474716 AAQZWXGVPUTELE-UHFFFAOYSA-N 510.373 5.336 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@@]1(c3ccc(Cl)cc3)C(=O)[C@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 8454068 HWZRPGBWKZHHJF-JLNIMSJUSA-N 671.536 8.091 5 40 KKBB CCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc12 8833771 UJDVFBRFUUGKKX-UHFFFAOYSA-N 512.540 5.569 5 40 KKBB O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8835257 XYZHEDASQFLUIV-UHFFFAOYSA-N 503.609 5.599 5 40 KKBB COc1cc(NC(=O)c2sccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)cc1Cl 12951336 NRPYVXWPRWCZEH-UHFFFAOYSA-N 507.273 7.035 5 40 KKBB CCn1c2ccccc2c2cc(Nc3nc4ccccc4nc3NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 97984625 ULAHJJWSCMFXKO-UHFFFAOYSA-N 538.589 6.210 5 40 KKBB Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)OCc3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cc1)C2=O 101460807 OHAQSOIGUZKJMN-UHFFFAOYSA-N 593.979 7.055 5 40 KKBB Cc1cc(=O)oc2cc(Oc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[N+](=O)[O-])ccc12 103005744 IVUFLDFORKHHBW-UHFFFAOYSA-N 520.441 5.622 5 40 KKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 104057002 FNXRVTBRAAEYRE-NEWJYFPISA-N 549.370 5.056 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c2=O)=N1 104676955 GNXWWTISZLMYFP-GONGWJOBSA-N 625.747 6.189 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3cccc(OC)c3)n2-c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 150393698 XETVBZOXWSZBKG-SFHVURJKSA-N 664.766 5.350 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224926833 DBGSQBHLUKQGQI-HHHXNRCGSA-N 675.204 5.349 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224951754 CJQMEXWUWVVZOG-IBGZPJMESA-N 607.516 5.040 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1NC(C)=O 225333476 FTFVKADEGOWTPQ-FTJBHMTQSA-N 529.578 5.394 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408567199 GRLKDKJBZZMCKF-DLXDESGFSA-N 570.415 5.134 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 408575033 VQNMISPHCXMSAO-AREMUKBSSA-N 539.057 6.625 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1Cl 408689017 XOXVBPPZYBKWBO-QKCPIRFBSA-N 720.991 6.588 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OS(=O)(=O)c6ccc(C)c([N+](=O)[O-])c6)cc5)c(=O)n42)c2ccccc2CC3)cc1 408755929 GJGVJFBLQRVBGZ-VSQRRKBNSA-N 665.749 5.312 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1cccc2ccccc12 408846166 QWTHHGNPTNKOSW-NVZOQZRCSA-N 777.640 7.572 5 40 KKBB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408902383 ICYDMIYVJWDZJI-XKZIYDEJSA-N 552.406 5.105 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 408916745 GURSCJMFCUNILT-LPYMAVHISA-N 645.431 5.462 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c2=O)=N1 409043299 DTKXIGTTXRDVBK-CRCYZHLCSA-N 686.968 6.171 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409103539 CGTFTNKMZWTWHT-KEBDBYFISA-N 605.772 5.538 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)o1 409387439 AZBAFNVNLIGZSI-KEBDBYFISA-N 548.451 6.022 5 40 KKBB CC[C@@H]1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)c([N+](=O)[O-])c4)n(-c4ccccc4)c(=O)c23)C1 2186687 CJBUTLGUMUTOCO-OAHLLOKOSA-N 538.626 5.740 5 40 KKBB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H](C[N+](=O)[O-])[C@H](/C(C)=N\Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[C@@]4(C)CC[C@H]32)C1 8406362 UCEHKNHPQSKYBD-ZZGNBVAESA-N 597.669 6.304 5 40 KKBB biogenic COc1cc(NC(=O)c2nn3c(c2Br)N[C@@H](c2ccc(Br)o2)C[C@H]3C(F)(F)F)cc([N+](=O)[O-])c1 8444708 JVXVKHYIEATKMT-YPMHNXCESA-N 609.153 5.831 5 40 KKBB Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)ccc2o1 8833014 ZHPDKMWTFOMRMB-UHFFFAOYSA-N 515.595 5.829 5 40 KKBB COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)c1cc([N+](=O)[O-])ccc1Cl)CC2 9391263 UWCPWAJUOHCTMS-QFIPXVFZSA-N 500.910 5.223 5 40 KKBB Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cc(Sc5ccc(Br)cc5)cc([N+](=O)[O-])c4)c3n2)cc1 33354224 JKJUUNMQLWLSDH-UHFFFAOYSA-N 628.430 7.798 5 40 KKBB O=C(N/C(=C\c1ccc(/C=C(\NC(=O)c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 82190926 ZMKQXKHGOTXVSE-NBDJWBGESA-N 690.676 7.112 5 40 KKBB CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc3sc4c(c3c2=O)CCCC4)cc1 97951633 KYYLJZFKMYZSKS-UHFFFAOYSA-N 536.635 5.364 5 40 KKBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(-c2ccc(I)cc2)c2nc3ccccc3nc12 97982712 GSFRTFFHSKNCJE-UHFFFAOYSA-N 641.809 6.169 5 40 KKBB CCN(CC)c1ccc2c(c1)OC(=O)N(c1ccc(Cl)c(Cl)c1)[P@@]2(=Nc1ccc([N+](=O)[O-])cc1)N1CCOCC1 97984303 NHAABTVOWUJGDQ-FAIXQHPJSA-N 604.431 7.087 5 40 KKBB CCN(CC)[P@@](/C=C1\N(C)c2ccccc2C1(C)C)(=Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)c1ccccc1n2CC 97984705 SRXINHHOJLVBFX-MRMIDGRESA-N 605.723 9.407 5 40 KKBB C[C@H](CCc1ccccc1)Nc1cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-] 100233268 DWCFOMXOFALYAM-HXUWFJFHSA-N 537.458 5.753 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3cccc(OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)C2=O)cc1 106702775 HCSSYGFZJDMIDG-YVNNLAQVSA-N 519.491 5.267 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1cccc2ccccc12 106745565 NFTFAYMXMASJFG-QQXSKIMKSA-N 540.553 6.212 5 40 KKBB CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1NCCCn1c(=O)c2ccc3c(=O)n(CCCN[C@@H]4C(C)(C)[C@@H]5CC[C@]4(C)C5)c(=O)c4ccc(c1=O)c2c34 150385094 MJPRHFOANHCPIC-QOJXJWOTSA-N 652.880 5.455 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2-c2cccc(Cl)c2)sc2c1CCC2 150390234 JEGMVLBTQREZQI-UHFFFAOYSA-N 655.158 5.525 5 40 KKBB O=C(Nc1cccc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)/C(=C/c1cc(Br)ccc1F)NC(=O)c1ccccc1 150484517 ZJMFBGQZPLVKJD-TXSSFMROSA-N 689.519 6.330 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 197764257 IGUKVYDFFBOVBI-KRWDZBQOSA-N 565.681 5.168 5 40 KKBB COc1cc([C@H](C)Oc2ccc(C(=C3CCCCC3)c3ccc(OCCN(C)C)cc3)cc2)c([N+](=O)[O-])cc1OC 205365408 LEWSIOIRJFVOOD-QHCPKHFHSA-N 560.691 7.458 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c1)[C@@H]1CCCN12 408569371 WAMXTKBVJLBQHR-UQBYDPJISA-N 558.849 6.280 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 408572327 QXBDHHWXKPDABP-VWLOTQADSA-N 524.574 5.421 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 408573470 SYQCTJCDYFDCKX-SANMLTNESA-N 589.501 6.979 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 408576620 XWBVXVQWXQNLAZ-VWLOTQADSA-N 569.481 6.344 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)c(OC)c2)cc1 408577376 ZCNSJVJWMZIZII-AREMUKBSSA-N 520.611 5.672 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408634541 VYCIHKNXXPIREP-HMAPJEAMSA-N 522.539 5.368 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408679776 FGZBCBKXPWTWFO-UHFFFAOYSA-N 785.852 7.805 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Cl)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC 408947613 QLZQMVWQISSQJD-ILLSWNIOSA-N 729.005 5.719 5 40 KKBB Cc1c(Br)ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc4ccccc24)C3=O)c1C 408999407 KVAODCZJNYPPEZ-UHFFFAOYSA-N 566.411 7.825 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409037903 ODLTZTCTHGURLU-IIMDPYCFSA-N 783.610 5.974 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409039963 RUPFVXJSBADNNH-JAYSWQADSA-N 807.404 5.495 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409102582 DLPBPNHDNKKBRV-UFFVCSGVSA-N 579.425 5.323 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)ccc1Cl 409164311 GNTNJQIAKILOGJ-KEBDBYFISA-N 576.370 5.623 5 40 KKBB O=S(=O)(Nc1ccn(-c2ccccc2)n1)c1ccc(NCc2c3ccccc3nc3cc(Cl)ccc23)cc1 5614318 DRNCPIFAROXRGL-UHFFFAOYSA-N 540.048 6.640 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccc(F)c(Cl)c6)o5)nc34)c12 98046176 DVHFOWVWGLWMRN-UHFFFAOYSA-N 533.894 6.846 5 40 KKBB CCc1ccc(C(=O)N2c3c(C)cccc3[C@H](N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3C)C[C@H]2C)cc1 100159666 RDGAWNMUPQWZPI-YBENSBSGSA-N 573.693 8.001 5 40 KKBB Cc1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)C[C@@H](C(C)(C)C)C3)c([N+](=O)[O-])cc1C 103081843 LZPANSKBHSXCDT-CSMMYAOASA-N 583.710 7.766 5 40 KKBB CCc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 105307885 VFXXKAMZGKDLMU-UHFFFAOYSA-N 550.040 6.346 5 40 KKBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(c4ccc(C)cc4)c4ccc(C)cc4)[C@H]3C2=O)cc1[N+](=O)[O-] 112254621 VEBJMRRYIKGUKW-BAAZAXTHSA-N 534.568 5.560 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150396033 XVHCLDUCGYWOBY-JBVGNYNVSA-N 677.735 5.440 5 40 KKBB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)c(OC)c1OC 150484649 MUKQCYIARFOPRA-LAUBZIAYSA-N 682.711 5.454 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 150644606 HCUASSZGQJKMAB-KXANFNGZSA-N 671.536 8.091 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 163704871 BXBFONXVWSSUIW-FUFNRSNVSA-N 680.602 5.770 5 40 KKBB COC(=O)CCCC1(c2ccccc2)[C@]23c4c5c6c7c8c9c(c%10c%11c2c2c%12c4c4c%13c5c5c7c7c8c8c%14c9c%10c9c%10c%11c2c2c%11c%12c4c4c%12c%13c5c5c7c7c8c8c%14c9c9c%10c2c2c%11c4c4c%12c5c7c5c8c9c2c45)[C@]613 169724069 MCEWYIDBDVPMES-GUTQCLAISA-N 910.902 18.589 5 40 KKBB COC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O 205775145 GCTYQJWVRSEDMM-FRKPEAEDSA-N 561.288 5.378 5 40 KKBB CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224783264 WPWCFXKSKJSNSR-JSOSNVBQSA-N 593.734 7.508 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260778809 ITHJATLAWXYSTG-RUZDIDTESA-N 636.771 5.282 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 260922187 MWTCQPQJGDLBOA-PGUFJCEWSA-N 668.816 6.188 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260939541 OEOGWJLDEMFIRD-MGBGTMOVSA-N 725.239 6.312 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 408575059 VUVOUAHRJULMHH-VWLOTQADSA-N 614.478 6.334 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408577481 ZPTYHSHAOIUJAA-HSZRJFAPSA-N 618.441 6.083 5 40 KKBB CCn1c(S/C(=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)O)nnc1-c1ccc(Cl)cc1 408633757 OZJVRZAZGCEGSU-QQXSKIMKSA-N 574.062 7.056 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408635028 WVNXSQBANDFUKZ-NDENLUEZSA-N 575.828 6.767 5 40 KKBB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408666021 ZVUHECDJHMUFFZ-QCAMOEIZSA-N 601.615 5.124 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408683591 LRQRXRLUVVRSCC-UHFFFAOYSA-N 751.407 7.152 5 40 KKBB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12 408720724 XQFYNYUSOILBAY-QYRZKEDASA-N 506.558 5.619 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733788 QZYRRTIJJWDQFA-DQARITGZSA-N 684.941 7.187 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c1 408787061 QGJJZAUPKVNGMY-FVUNBJOLSA-N 697.169 6.032 5 40 KKBB CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1OC 408837781 NKNKQUIJVQWWSJ-FQKMCRJQSA-N 618.509 5.397 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc(C(F)(F)F)c1 408875906 HVBPEJXVDCHWOQ-JJFYIABZSA-N 636.402 6.630 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccc2ccccc12 408918693 NUSIQGWGIZBVSE-IMUCPKNRSA-N 714.594 6.210 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408924198 DJTSMWFWTYCJBM-NLRVBDNBSA-N 517.538 5.714 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409048172 QWGFGXMZLLOUBN-BIQRORRISA-N 542.975 5.689 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409080770 ODHLMSVBMURVMK-FUFNRSNVSA-N 680.602 5.937 5 40 KKBB Cc1cccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)c1 409196362 ZOOABEGXVHGGRK-MZGCFZMMSA-N 533.334 5.629 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409227008 XAOUWNLVEFCDGC-ZMOGYAJESA-N 583.416 5.864 5 40 KKBB CCc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2306574 BQWJODHXUCDWSZ-UHFFFAOYSA-N 503.562 5.240 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 3224244 UYWHXFDUTGRVJJ-KAPURRDVSA-N 591.418 5.802 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(CC)=NN2c1ccccc1 9348364 IBWVZKIQIBDFDM-SANMLTNESA-N 501.568 5.469 5 40 KKBB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1Cl 14277362 PXUIXGNEVRPSIG-UHFFFAOYSA-N 507.201 5.553 5 40 KKBB COc1cc(C(=O)c2c3ccccc3c3n(C)c(=O)c4oc5ccc(Br)cc5c4n23)cc(OC)c1OC 100983149 MSRKGIZWZIWESK-UHFFFAOYSA-N 561.388 5.710 5 40 KKBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Oc1ccccc1Cc1ccccc1 101658601 JAWYZFPAGNOPHQ-UHFFFAOYSA-N 606.544 8.746 5 40 KKBB Cc1ccc(N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]2C[C@@H](C)N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3cc(C)ccc32)cc1 102599705 GPINBUBEJZOIEY-AUROJBMCSA-N 616.674 7.746 5 40 KKBB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 103094866 QOVIHNKQXMQRCS-FWFQWLPWSA-N 585.041 7.099 5 40 KKBB Cc1ccc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1S(=O)(=O)N1CCCCCC1 103106947 FPUJGECXTZJXBT-UHFFFAOYSA-N 530.646 5.662 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(C)c1I 104099108 WKULGGZNTYYABE-UHFFFAOYSA-N 521.336 5.203 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112231737 OUBLTVIAIVYUQR-UHFFFAOYSA-N 537.985 5.020 5 40 KKBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C(=O)Nc4ccccc4[N+](=O)[O-])cc3)cc2)cc1 150348572 BCZMGYMLQNLQRW-UHFFFAOYSA-N 646.568 6.446 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1c3ccccc3cc3ccccc13)N1C(=N2)C(N2CCN(c3ccc(F)cc3)CC2)=Nc2ccccc21 150421843 TZLZERQRGZKZIY-FAIXQHPJSA-N 667.792 9.132 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 163732834 KPRZCYSBNZYBMA-AJAYTNACSA-N 775.590 6.340 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222760441 WOVBYDCRORCNRI-YTTGMZPUSA-N 646.741 5.342 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223489900 CTYBCVXPLUEHNF-FQRUVTKNSA-N 508.018 5.346 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224444690 PWMPPJPLCIJAAM-NRFANRHFSA-N 538.428 5.155 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224523289 SVURTZOPDXDSLM-AREMUKBSSA-N 588.557 6.690 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224555755 XHYVTMJAFREKIA-YTTGMZPUSA-N 762.112 7.234 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224994329 AQFLGKUFIUMBTH-XIFFEERXSA-N 737.673 6.034 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 225226042 PJPSTMGHKICRPK-UIOOFZCWSA-N 529.578 5.012 5 40 KKBB O=C(O)c1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c3ccccc32)o1 408543581 OYEWDITWPDVQOA-JJFYIABZSA-N 503.492 5.126 5 40 KKBB Cc1ccc(NC(=O)COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2Br)cc1Cl 408553502 ABWKQSMYWTZGFU-UHFFFAOYSA-N 504.768 5.949 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 408565673 CSEVJFAIMQPPLT-XMMPIXPASA-N 540.001 6.135 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 408571300 OHPGOLXRLSZTFN-XMMPIXPASA-N 543.020 6.456 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 408572241 HNUXPYXPZXJPMM-SDNWHVSQSA-N 545.665 5.082 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1 408577369 ZCIYLAMSSULOFS-QHCPKHFHSA-N 573.444 6.175 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408677356 BTGRYDJUHQBPTC-HCXPYDJZSA-N 563.997 5.698 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408683857 MINYMUZKCNQNRG-UOIPHLHCSA-N 666.128 5.590 5 40 KKBB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Br)cc1 408710469 KIUNGFJPZUGLHW-UHFFFAOYSA-N 524.356 5.380 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408734602 ZJYKUNRCZMCZFI-FJNIOPPGSA-N 654.657 5.752 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccccc1OCC 408739557 XQGJLJCTYBIEOQ-ACHQHTMYSA-N 649.725 5.837 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408753115 HVNPCJLSBOTFPD-PEPUGYCWSA-N 805.501 6.956 5 40 KKBB CC(=O)Nc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408758034 UPXJVVPQYVHJPO-UHFFFAOYSA-N 500.898 5.904 5 40 KKBB O=c1/c(=C\c2c3ccccc3cc3ccccc23)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408786985 ZDQOOKFBHDPYAC-DUCIMOQJSA-N 538.647 6.764 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 408827278 GMCYGRXAZBEHEJ-FUFNRSNVSA-N 681.092 6.214 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408828855 WGDPSOIEBWAUSL-LCQSEVKBSA-N 695.535 5.199 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408852136 CNEFSIYMGYVGLD-KEPJHFNWSA-N 644.662 5.194 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1cccc2ccccc12 408917792 BEASAMSZIFIARU-GONGWJOBSA-N 554.671 6.258 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(SC)cc3)C(C(=O)OC(C)C)=C(C)N=4)o2)c([N+](=O)[O-])c1 408920076 GWIJSAOJWONLBW-MFCBUNOESA-N 605.694 5.086 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 408925714 SKAQGRSRLRFKML-QARYAGPDSA-N 610.113 5.730 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409177264 GAPCIZWHOVSANR-CVXNTFFOSA-N 682.582 6.299 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)c1ccccc1 409220449 ZUUXYJKJFYQPIG-WSDLNYQXSA-N 528.464 6.325 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409230498 DWYDFFPJHLPNEW-LPYMAVHISA-N 507.930 5.319 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1Cl 409242211 VOGJVFISNFEWST-VXLYETTFSA-N 518.334 5.837 5 40 KKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(I)c1 2421375 DTVFNNWOQUMMQT-UHFFFAOYSA-N 537.405 5.777 5 40 KKBB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2[C@H](c3ccc(OCc4ccccc4)cc3)N2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 33354941 ULSJQNUCQKMQSN-CXWVKGBISA-N 721.748 5.878 5 40 KKBB O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] 100330142 BLJVVAWLIXVNHF-UHFFFAOYSA-N 602.072 5.125 5 40 KKBB O=c1c2cc([N+](=O)[O-])ccc2nc([C@H](Cc2ccc(Cl)cc2)c2ccccc2)n1Cc1ccc(Cl)cc1 100362629 YTOYYUIZPRVFFD-RUZDIDTESA-N 530.411 7.034 5 40 KKBB COc1ccc(CCNC(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(=O)c2ccc(C)cc2)cc1OC 100841999 FUWOMZIENLNFHA-PLRJNAJWSA-N 555.587 5.310 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 101538002 MPLQMJMHIQJOBQ-OYKKKHCWSA-N 551.552 5.387 5 40 KKBB COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2ccc(N4CCCC4)c([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(OC)c2)cc1OC 103995283 JFFXOTLGVJYQIL-CVBAUNOGSA-N 626.710 6.666 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(OC)c(OC)c3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 104658087 GUGNYCSJRVTZSH-FVUNBJOLSA-N 621.671 5.513 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c2=O)=N1 104676949 GNXWWTISZLMYFP-UTAOYMJKSA-N 625.747 6.189 5 40 KKBB O=C(Nc1ccc(OCCCCOc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 150397505 ARIBPDJZLQJBHG-UHFFFAOYSA-N 660.552 6.062 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225136528 MUQUPLGGRGKQTL-QHCPKHFHSA-N 657.189 5.627 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225490437 GHTMJLFUSWVJQL-MHZLTWQESA-N 537.657 5.524 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 225560340 VNAASQGGKOOBAE-VMPREFPWSA-N 571.659 5.822 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225697795 GIGLOLYAAZCYFX-ZHRRBRCNSA-N 526.486 5.857 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260785086 LFVMWQSAIZTJAA-OAQYLSRUSA-N 677.607 5.890 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H]3[C@H](C)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3[N+](=O)[O-])cc2Cl)cc1 408569415 WQKIERZRQVVRAE-YNCKHVCDSA-N 512.393 5.449 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 408569689 WYIHDXKOVYLVJR-RBYFDUNASA-N 564.436 5.091 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)CC2)c([N+](=O)[O-])c1 408576234 WIHBWAPHOMKTFV-FMIVXFBMSA-N 509.946 5.047 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408577766 ZUGCMDCFXDZTMX-VFDLGOFSSA-N 621.315 6.302 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408642462 DXCNAFMYZWRHHZ-GOTSBHOMSA-N 559.962 5.232 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 408661174 BIERRISXEXFHMM-ROMRWMGNSA-N 512.559 5.017 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408676138 ADTJOOUCGJHKOB-UHFFFAOYSA-N 796.404 7.060 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408688331 VZTSWAUWUJBEAB-QYVZARNFSA-N 608.994 5.606 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c2=O)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729095 AMTIPCGAQHSNTB-NJJIUVASSA-N 735.815 6.381 5 40 KKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccc(Br)cc3)sc2c1 408750978 UWQRQSUTKIJUBE-UHFFFAOYSA-N 526.393 6.060 5 40 KKBB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 408804567 AWQJFRDISUYMEL-MXWSYFOSSA-N 528.654 7.228 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)c(=O)n2[C@@H]1c1ccc(C)cc1 408825325 IDTFOZYIBPDHDC-FHQMNNMHSA-N 678.561 5.365 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC(C)C 408828204 LRMOBXBIODWDOC-ZPMAPHDVSA-N 650.757 5.805 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 408829866 KSASRACDNVZCCQ-SELCLYCASA-N 607.713 5.876 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc2ccccc12 408919004 ROZRJKYHNKLDFG-USDTVRPUSA-N 579.634 5.428 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408980551 FNQQLFVOGBYHEU-XFPFAXQNSA-N 750.811 5.053 5 40 KKBB Cc1cc(C)c(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c(C)c1 408984327 MNBDVPVAPJUHQW-UHFFFAOYSA-N 532.603 5.661 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 409171890 CPGYPCYAGTYRPB-GDLZYMKVSA-N 537.959 6.882 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br 409189179 DYWIPMNKBIHFES-ZMTYCLHQSA-N 840.178 6.959 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC 409274031 UBBHRQBZXROZBJ-YBFXNURJSA-N 535.372 5.074 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409360469 PSOIAKOISZPKHF-WQNUKSJVSA-N 770.558 5.115 5 40 KKBB Cc1cc2nc3s/c(=C\c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(Br)c4)c(=O)n3c2cc1C 409391528 IKLSDKZFKCANKM-JJFYIABZSA-N 615.303 6.086 5 40 KKBB CC(=O)Nc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc3sc4c(c3c2=O)CCCC4)cc1 3251503 AXZWYEHHRSFFMU-UHFFFAOYSA-N 537.579 5.252 5 40 KKBB CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3Cl)CC2)cc1 22847437 ZHKVDMKQDSOTTF-UHFFFAOYSA-N 522.989 5.252 5 40 KKBB O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59331948 DSYNRZJRZJEMHZ-UHFFFAOYSA-N 520.033 5.423 5 40 KKBB O=C(Nc1cc(Oc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl 100087837 DHFUCTJCZPDZQY-UHFFFAOYSA-N 611.842 7.633 5 40 KKBB CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c([C@@H](C)O)c5C)C([C@@H](C)O)=C4C)c(C)c3CCC(=O)O 100425469 GATIRTLNRJTHMO-WOJBJXKFSA-N 598.700 6.109 5 40 KKBB COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC 102792879 VHAYLQVBACKSHU-BMQKFNQRSA-N 557.603 6.066 5 40 KKBB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1F)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 104878194 PGXWSZKXFSNOCZ-UHFFFAOYSA-N 528.483 7.949 5 40 KKBB CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1 105796119 PWBZMRUOQXZBRM-DSNGMDLFSA-N 582.407 5.206 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)c([N+](=O)[O-])c1 111472862 KTXBMKCPYKIHQL-PKYOQBLNSA-N 610.623 5.190 5 40 KKBB O=C(O[C@H]1CO[C@H](n2c(=O)oc3c(Cl)cc([N+](=O)[O-])cc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 150369791 WEAGHRCJBNUSEH-HDUOHBRYSA-N 659.003 5.362 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C)C(c1ccccc1F)=N2 150430710 AKCPVJHQPOMSSK-RWYGWLOXSA-N 638.438 6.335 5 40 KKBB O=c1/c(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163240625 SIPSWIHRHXIUDD-KOHOJCOXSA-N 729.450 7.331 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222929273 ZIDXNLALKVZXMF-MHZLTWQESA-N 635.570 5.080 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)o2)c1 223957354 XDSAIFGEHYZVHK-SVBPBHIXSA-N 527.606 5.264 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 225639916 CLGYYKWFWSDEAE-IZLXSDGUSA-N 541.633 5.868 5 40 KKBB O=C(/C=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363923 GSZQMJITBCYJLI-XYOKQWHBSA-N 509.370 8.004 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1 408557896 QMNAEXHRQRJJAG-UHFFFAOYSA-N 524.742 6.053 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408566313 NLKAPGKJLVSADI-SIJZCSJPSA-N 647.353 6.788 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 408567675 QYOQRSDLTHICLL-JFDTUHHPSA-N 577.262 5.903 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1F 408569197 JBVOKYFPIVXLJO-XMMPIXPASA-N 587.471 6.483 5 40 KKBB O=C(Oc1ccc(C(=O)c2ccccc2)c(OC(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1 408667758 KNCBOQSTDHWUAX-UHFFFAOYSA-N 512.430 5.172 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408690154 ZUOCJTRHJWKHPY-ZYNNUQKQSA-N 658.536 6.252 5 40 KKBB O=C(Oc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408726291 RMPSYZKFCRUQRQ-SCDVKCJHSA-N 560.327 6.270 5 40 KKBB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 408802481 FKSUTNOFGLDTGS-QLWQEFQNSA-N 567.485 7.671 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 408823749 OSMCMDINSQOJAA-CRCYZHLCSA-N 623.609 5.826 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl 408840096 AYXKUKVFKNQPDN-CAOOACKPSA-N 753.233 9.420 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)c(OC)c1 408976537 FZHUQODGOXXRIR-DDIUQFJASA-N 636.686 5.368 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 408995425 CORFMBLGGCQDHV-PNZYDNNZSA-N 608.470 5.037 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409032681 MHXIUUPFXNYIEG-BXMULHQWSA-N 712.608 6.388 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Br)cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409143836 IVDKGCJNWIWPKO-CCVBWGSMSA-N 806.327 6.881 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] 409179749 SYCVKVQMYZSUHA-VWLOTQADSA-N 548.960 7.089 5 40 KKBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 409181649 FLVHNAPGSHRIEH-UHFFFAOYSA-N 528.904 6.198 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409271055 IKZYONZZXQYMJC-JMIUGGIZSA-N 512.883 5.126 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c(C)c1 409371278 BYCZVWZNZSBDMP-FOKLQQMPSA-N 664.456 7.769 5 40 KKBB O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1414900 IDMGOWKVBGMFKB-UHFFFAOYSA-N 504.296 6.678 5 40 KKBB COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)c(OC)c1 1740235 YHUBCSGEGOHQRJ-PMERELPUSA-N 585.624 6.901 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc(OCc2ccccc2)cc1OCc1ccccc1 2081001 ISZYIRDKSDNYOQ-PKAZHMFMSA-N 506.514 6.097 5 40 KKBB O=[N+]([O-])c1ccc(Sc2nnc([C@H]3COc4ccccc4O3)n2-c2ccccc2)cc1C(F)(F)F 2644317 BIPFQQHNUKBIHF-HXUWFJFHSA-N 500.458 5.858 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 16545503 MNNIIXGJHVOETH-UHFFFAOYSA-N 500.561 6.258 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 97954071 UZEJOLNVKPMBNZ-DSNGMDLFSA-N 550.354 6.213 5 40 KKBB CC(C)[C@@H]1Cc2c(sc3c2c2nnc(SCC(=O)c4ccccc4)n2c2nnc(SCC(=O)c4ccccc4)n32)CO1 101995211 ZEUAIKHXLCRAIF-QHCPKHFHSA-N 614.778 6.034 5 40 KKBB CC(C)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 102370324 OSKNEXCNOWJMKO-XWSGIVAFSA-N 599.643 6.364 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N23)c1 103550155 WPRUOCSKEYLTNL-HEFUCBFLSA-N 571.589 5.460 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5c6ccccc6cc6ccccc56)c(=O)n42)c2ccccc2CC3)cc1 104657524 URBGNRKGHXFLOT-HTNWYMAZSA-N 550.683 6.634 5 40 KKBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 105394288 UMTFBAWQOFEEGD-FMIVXFBMSA-N 537.016 5.855 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)N(c4cccc([N+](=O)[O-])c4)O[C@H]3C2=O)cc1 106013698 MTYNENLYGAFTQZ-OJDZSJEKSA-N 623.618 5.663 5 40 KKBB O=c1c2ccccc2[nH]c2c([N+](=O)[O-])ccc(Oc3ccc(CCc4ccc(Oc5ccc([N+](=O)[O-])c6[nH]c7ccccc7c(=O)c56)cc4)cc3)c12 150390840 LVSPSNLKKLQYSE-UHFFFAOYSA-N 690.668 8.862 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222651341 ZVTABXZQKOVHNZ-XIFFEERXSA-N 741.694 6.826 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 224975453 QDGWREHLOIGNIB-ZEQRLZLVSA-N 506.971 6.089 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 225052871 NMVLPFAULILNSO-HHHXNRCGSA-N 600.499 5.988 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225163401 RJIKKCFBKGLIST-QFIPXVFZSA-N 675.179 5.766 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225172110 YVVPQFKCCANSQC-SSEXGKCCSA-N 671.216 6.017 5 40 KKBB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225617339 VCLWXFVYRJJKDL-LJQANCHMSA-N 607.516 5.039 5 40 KKBB COC(=O)CCC[C@@]1(c2ccccc2)[C@]23c4c5c6c7c8c9c(c%10c%11c2c2c%12c4c4c%13c5c5c7c7c8c8c%14c9c%10c9c%10c%11c2c2c%11c%12c4c4c%12c%13c5c5c7c7c8c8c%14c9c9c%10c2c2c%11c4c4c%12c5c7c5c8c9c2c45)[C@@]631 247835382 MCEWYIDBDVPMES-MTIIUDFJSA-N 910.902 18.589 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 408565084 BDJYXDDGRHDGDB-AREMUKBSSA-N 520.611 5.590 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 408566578 FQAJGISVJGTOBW-VWLOTQADSA-N 573.046 6.465 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c1)[C@H]1CCCN12 408568882 VCTDNYRZUARHSV-YUHKXCSQSA-N 558.849 6.280 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408569704 XCPBFVVEUNZNFH-HGMMTPDKSA-N 532.811 5.748 5 40 KKBB O=C(O)/C(=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408632374 FCFSOJKYEWQNRH-UDWIEESQSA-N 545.429 7.056 5 40 KKBB C[C@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408672083 ZIAWZAMDUYJYBC-QQAHRBHRSA-N 585.827 5.273 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 408729290 YWAZEGNVCQDQQO-VVHYXOSJSA-N 681.542 7.546 5 40 KKBB Cc1cc(I)cc(C)c1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408737925 PZVIPETVGDXYAH-JOCHJYFZSA-N 573.387 5.292 5 40 KKBB CN1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCc4ccc([N+](=O)[O-])cc4)sc3c2)CC1 408750312 ZTUKPXRVLFRTIJ-UHFFFAOYSA-N 547.662 5.137 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)o1 408757992 TZTCOPMJOXYUPX-OBDCIHEFSA-N 624.516 6.558 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408830155 RTBHTJLMJUGULW-ZMTYCLHQSA-N 745.995 7.352 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C)cc1 408832169 QDSGEOGVSQHSFL-PNZYDNNZSA-N 608.470 5.037 5 40 KKBB COc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408838330 DORKSKOKAYBWHH-UHFFFAOYSA-N 521.938 5.372 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408876325 OPCPKNZLLPBDQW-FMCGGJTJSA-N 680.455 7.029 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4ccccn4)cc3s2)c([N+](=O)[O-])c1 408991524 YDZGBBRGPJAYPV-UHFFFAOYSA-N 541.636 5.070 5 40 KKBB O=C1N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccccc1 409012409 JVCJEKPAWXRSEL-UDWIEESQSA-N 573.197 5.796 5 40 KKBB COc1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1 409115294 IMMBRDMBEKCLGI-UHFFFAOYSA-N 522.193 6.320 5 40 KKBB CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409148164 XMOFVDGVRMUFBL-DEOSSOPVSA-N 532.626 5.217 5 40 KKBB O=C(CCC(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl 409180945 ZKRGWNSXHACXIK-UHFFFAOYSA-N 585.318 6.858 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc2c(c1)OCCO2 409197857 QGSGHMGNSRHEFL-AUEPDCJTSA-N 680.411 6.615 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409203750 ZBVAWRPPKQMETK-VULFUBBASA-N 591.598 5.019 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccccc1Br 409342267 DAESMLVFCYVGEU-ODLFYWEKSA-N 555.366 5.220 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O 409379681 ZMLWVUSUOGMFAF-SFTDATJTSA-N 644.433 5.115 5 40 KKBB CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2cccc(Cl)c2C)c1C 2788702 UXWSEEFHDBSFKT-UHFFFAOYSA-N 501.948 5.608 5 40 KKBB Cc1cc2oc(=O)cc(COC(=O)c3ccccc3Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2cc1C(C)C 3362256 NKWHCHXRHNXJEJ-UHFFFAOYSA-N 557.546 7.660 5 40 KKBB CCOc1ccc(C(=O)[C@H](CC[C@H](C[N+]2(C)CCCCCC2)C(=O)c2ccc(OCC)cc2)C[N+]2(C)CCCCCC2)cc1 6600758 RJRNNBYCWWOHJK-KKLWWLSJSA-N 606.892 7.603 5 40 KKBB CCCc1ccc(OCCNC(=O)c2cc(C(=O)NCCOc3ccc(CCC)cc3)cc([N+](=O)[O-])c2)cc1 9720396 OSEOXRYJLMRPJG-UHFFFAOYSA-N 533.625 5.117 5 40 KKBB Cc1c(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cccc1[N+](=O)[O-] 32114484 NYVMPAWFSITIIK-UHFFFAOYSA-N 516.966 6.645 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 49762581 IODFOBPZJQDETA-KCIBBDPESA-N 559.553 5.590 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5c6ccccc6cc6ccccc56)c(=O)n42)c2ccccc2CC3)cc1OC 97968618 NLBYPIMAKPLPGJ-HRISCLKESA-N 580.709 6.642 5 40 KKBB C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CC2)C(=O)Nc1ccccc1[N+](=O)[O-] 103081587 HLBROJSPCYTYNN-VVZNPABPSA-N 562.409 7.121 5 40 KKBB COc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 104118965 CHZRWCNJNSGYPL-YCHSVXFSSA-N 571.589 5.585 5 40 KKBB CC(C)(C)c1ccc(OCCOc2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 106745556 RDDWJKMSIYTACP-ITYLOYPMSA-N 532.618 6.587 5 40 KKBB Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1 205702164 NABCZCQDHPYZCH-OEAKJJBVSA-N 503.536 5.157 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214418996 YKGXIKVJTMDWHW-ZVBGSRNCSA-N 576.370 6.847 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)cc1Cl 214433244 ZHQSMDTWGHWGFK-DJKKODMXSA-N 509.754 7.052 5 40 KKBB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224204351 IIGUBTVEACUSIH-RUZDIDTESA-N 631.151 5.012 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1OC 225200645 LVYTXYIUZQALTF-IZLXSDGUSA-N 573.631 5.793 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 225635610 HVSOBZKGZCXMFZ-VSGBNLITSA-N 540.649 5.399 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260875270 ATNMPQNEMRZZRD-PSXMRANNSA-N 777.738 6.959 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261004530 SIVDNQWZQWBIDZ-GIGWZHCTSA-N 624.760 5.138 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1)[C@H]1CCCN12 408563517 AQPJLOZGEKRWCO-YUHKXCSQSA-N 568.855 5.736 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 408576172 XNCUQZBRASTPST-SANMLTNESA-N 583.508 6.734 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(Cl)cc1Cl 408655920 SFRYOSGTJOYULM-QGZVFWFLSA-N 513.333 5.348 5 40 KKBB Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(-c5nc(O)c6c(C)c(C)sc6n5)cc4[N+](=O)[O-])sc3c2)cc1 408990746 LQRXSSOULULFPG-UHFFFAOYSA-N 599.719 7.911 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 409177741 IFVCATCJNHKPGE-UHFFFAOYSA-N 520.881 7.098 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409178910 KCHOAIAJEYYGLV-UHFFFAOYSA-N 596.061 5.978 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409180453 SZLRKNAOCDFCDB-AFUMVMLFSA-N 547.589 5.474 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 409183042 QMQIKKNKNCJFPK-SANMLTNESA-N 540.915 5.830 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1Br 409339285 GVZDWOYCFHOEMX-YBFXNURJSA-N 528.340 5.292 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)o2)cc1[N+](=O)[O-] 409347761 REABFFBWARWCMX-RGVLZGJSSA-N 542.367 5.601 5 40 KKBB Cc1cccc(C)c1N(C(=O)c1ccc(Cl)cc1Cl)C(=O)[C@H](c1ccc([N+](=O)[O-])cc1)N1CCOCC1 1058264 BIEHJZAEMQDBEI-VWLOTQADSA-N 542.419 5.765 5 40 KKBB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccc(Cl)cc2)cc1 6245384 OXKYWESSYBWUHL-UHFFFAOYSA-N 508.991 5.480 5 40 KKBB CC(C)(C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccccc4)c3)CC2)cc1 8816629 WCXHGUWJHKKEBM-UHFFFAOYSA-N 502.615 5.232 5 40 KKBB Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 9371728 CVKOHCIYZZQTGE-UHFFFAOYSA-N 512.971 5.853 5 40 KKBB O=C(c1cccc2c(Br)cccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16431524 WPADDGDQXQXPCM-UHFFFAOYSA-N 508.294 5.492 5 40 KKBB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Sc5ccc(Br)cc5)cc([N+](=O)[O-])c4)c3N2)cc1 97985357 ZLGYBQFQIRSPMG-DNQXCXABSA-N 632.462 7.926 5 40 KKBB CCOC(=O)c1ccc(NC(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 97999678 HUFNSGYHTMNSAG-UHFFFAOYSA-N 597.580 5.869 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc([N+](=O)[O-])cc1Cl 100309809 OUEAVSGZZHDXKI-UHFFFAOYSA-N 547.774 5.651 5 40 KKBB Cc1ccc([C@H]2C3=C(O)C[C@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 102927484 PTPKKFCTHJXSIY-GOXGLGGOSA-N 529.596 7.767 5 40 KKBB Cc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c(C)n1-c1cccnc1 103790801 NWDUGPAACJNNSX-SJXDCSIJSA-N 559.651 5.029 5 40 KKBB O=C(Nc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1)c1cccc(Cl)c1 106141937 MVKIIIXOFKTWSP-UHFFFAOYSA-N 520.954 5.887 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1 111465372 LPSVDJHVFZFZFM-KUSDHMTMSA-N 605.672 5.721 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(I)cc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 161915008 QCIWZYILXOQTCY-UHFFFAOYSA-N 627.464 6.125 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c2=O)=N1 164185169 HAZQVSRHRQNKFP-IMUCPKNRSA-N 643.718 5.083 5 40 KKBB Cc1ccccc1-c1cc(N2CC[N+](C)(COP(=O)(O)O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 205224698 HZIYEEMJNBKMJH-UHFFFAOYSA-O 689.614 6.369 5 40 KKBB world O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 214221815 MMHVEOJFZVTMRM-SRZZPIQSSA-N 518.444 6.782 5 40 KKBB COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 222984323 KAMIFCBJKADMQP-SANMLTNESA-N 588.488 5.701 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223323101 DLZDQVWKZAYJGI-AREMUKBSSA-N 601.125 5.166 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224031228 PFGWYVLCXICFDX-JGCGQSQUSA-N 628.751 5.265 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(F)cc1 225604067 DBGLXARVGREVRO-FTJBHMTQSA-N 531.569 5.390 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260969649 MILFXVQFMBDGIB-DCFHFQCYSA-N 635.570 5.819 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408567714 QZFQBPAENLKNNS-UYDITSSVSA-N 542.419 5.493 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)n1-c1ccccc1 408570270 KQMUIUYABTUZDL-HSZRJFAPSA-N 549.867 7.225 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)O)o1 408633970 QNHOAPWYYAUTAT-GRSHGNNSSA-N 534.333 6.438 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2cccs2)cc1 408642843 OBIBWARNXYJHGC-UHFFFAOYSA-N 589.969 5.065 5 40 KKBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408685161 OVKJJZAJFSPTEA-HHLQZUTDSA-N 682.127 5.290 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731907 QRCPCKSQPNOVAS-SANMLTNESA-N 533.606 5.455 5 40 KKBB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 408736841 JALCJLRSGLBYSP-MHZLTWQESA-N 547.658 5.583 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408834516 UMAUCQGCHORZPT-UPWSPCOFSA-N 713.006 6.100 5 40 KKBB COc1cc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3C)s2)cc(OC)c1OC 408836252 ZRPJACOIRRCMMX-UHFFFAOYSA-N 519.579 6.280 5 40 KKBB Cc1cccc(C(=O)Oc2ccccc2/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)c1 408838458 FNCFHPHBZADUHN-XDHOZWIPSA-N 518.934 6.335 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)cc1 409086033 YBAWITVGLNIDME-PQRKSKNISA-N 592.633 5.051 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409097441 IKPLKQGTCIQRPZ-XNENXQGPSA-N 664.809 6.325 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 409098351 PYMZCAITMLQNCM-MFKUBSTISA-N 563.588 5.256 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409102639 BOGAQVLBXVQWOJ-CFEDROAVSA-N 667.769 5.590 5 40 KKBB Cc1cccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1C 409116327 UURGOXJYWKPWGE-UHFFFAOYSA-N 520.221 6.928 5 40 KKBB O=C(COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)Nc1cccc(Cl)c1 409131661 KBWBVOJYHVQQPB-DHUJRADRSA-N 633.104 7.627 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Br)cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409141168 MHFWMTDGGMGRLW-FHQMNNMHSA-N 818.484 6.360 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409141454 HZGJQQDXWTUCNK-QFIPXVFZSA-N 644.577 5.950 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409177943 HMQJZAIIDGQIAX-AFUMVMLFSA-N 547.589 5.474 5 40 KKBB Cc1ccccc1OCC(=O)Nc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 409178250 LMHUEHQVGLVIAG-UHFFFAOYSA-N 512.518 6.070 5 40 KKBB COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc(OC)c1OC 409191939 QSXTUHBDTPQSBQ-OCKHKDLRSA-N 662.243 5.709 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409192083 UNZBUGKKQNYLOK-CIAFOILYSA-N 622.824 6.681 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc(Cl)cc1 409193948 IQIBVKNPWUSPNM-ODLFYWEKSA-N 510.915 5.111 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 409345498 IYJQILJXPJLDHM-WYMPLXKRSA-N 664.456 7.967 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccn(-c3ncc(C(F)(F)F)cc3Cl)n2)cc1CS(=O)(=O)c1ccccc1 1388727 DUXCLXHGGZTLFI-UHFFFAOYSA-N 522.892 5.489 5 40 KKBB Cc1ccc2oc(-c3cc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 59294637 MLBOGXXJJVDAKF-UHFFFAOYSA-N 504.974 6.853 5 40 KKBB CC1(C)CC2=NN(c3ccccc3)[P@@](=Nc3ccccc3[N+](=O)[O-])(c3ccccc3)C2=C(N2CCOCC2)C1 97984130 WORPOWVJTKISCC-KDXMTYKHSA-N 541.592 6.908 5 40 KKBB CCOC(=O)c1ccc(/N=c2\ssc3c2-c2cc(OC)ccc2N(C(=O)c2ccc([N+](=O)[O-])cc2)C3(C)C)cc1 100115395 GBYFKSAAUWZHOK-BXVZCJGGSA-N 575.668 6.698 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 102191057 WKIVEZKDGCBOBQ-JVNOLKNPSA-N 597.671 6.649 5 40 KKBB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F 102940670 QWTLUNQUEKVZPK-BJMVGYQFSA-N 522.913 6.407 5 40 KKBB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 104059195 BSYIHBQFXRTASG-AWCRTANDSA-N 579.565 5.182 5 40 KKBB CC(C)(C)c1cc(COC[C@@H](COC(=O)c2cccc([N+](=O)[O-])c2)OC(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1O 104830259 MOYPYCKHDPQNCM-VWLOTQADSA-N 608.644 6.403 5 40 KKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 112230478 SCMLELQFIYYWKE-UUILKARUSA-N 533.795 6.978 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 163218147 JVIDSCXPJVORQQ-SOJUGJLBSA-N 790.446 7.461 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214777498 ZMZFWAHGHHFCLU-WSDLNYQXSA-N 515.374 6.717 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222968918 MMDIAIOQWLGAPS-HHHXNRCGSA-N 635.570 5.080 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl 224967806 RSPWJRYFNYCUQI-ZEQRLZLVSA-N 505.987 5.620 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225119079 FMVQJAZDTUAZBP-AREMUKBSSA-N 645.178 5.403 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225330868 CSMZCYJBHLCAAL-NDEPHWFRSA-N 534.056 5.880 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 225509103 OMVDKJXAXAVVIE-LJAQVGFWSA-N 661.608 5.757 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260964240 HMQWQTFAFGVCHV-PGUFJCEWSA-N 763.711 6.569 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 408565035 BAYYVWQCNGJFRJ-DEOSSOPVSA-N 654.370 7.351 5 40 KKBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc(I)c1OCc1ccc(I)cc1 408605082 KOMATYBMCOMBKO-VMPITWQZSA-N 661.190 5.153 5 40 KKBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)N1c2ccccc2Sc2ccccc21 408606841 RESLQZMZADCAHL-WYMLVPIESA-N 558.572 5.573 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408728575 OYGAWLPRRQICFG-WXHPKRHJSA-N 701.562 8.099 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OCc1ccccc1 408766368 CPKPKZLRRAFZFW-VNOBABJFSA-N 646.681 5.723 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)o1 408778136 BOZXEBCVKJFNMB-UQDCTOEPSA-N 551.649 5.857 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 408979408 CJJJQRFFECFGAX-PZKKRVAUSA-N 708.974 6.544 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 409108283 ZILBPIBUGSLURN-MFKUBSTISA-N 563.588 5.256 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Br)cc1 409159159 ZFAFZZHNAQVEAB-XKZIYDEJSA-N 568.405 5.611 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 409173376 LMHYGPXEKJDLGN-SANMLTNESA-N 514.515 6.435 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 409194944 RELXYTUZEZNECT-KEQCBNTKSA-N 693.594 5.950 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)cc2)cc1[N+](=O)[O-] 409198855 FYPKVZPKLLALEC-YVNNLAQVSA-N 666.915 5.762 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409204251 DZVGPXPXTMCVRL-VPNURPJOSA-N 568.526 6.183 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)c(F)c1F 409256236 KJEREVLHMBKXJJ-JMIUGGIZSA-N 622.375 6.029 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc2ccccc12 409269593 CYJZYZAWHMIMRV-LQKURTRISA-N 554.580 6.255 5 40 KKBB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 409342935 CKDYYAFDRWRVFI-IBGZPJMESA-N 508.431 5.840 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 409353040 ZZVALIHYMUFVLL-WSDLNYQXSA-N 525.970 6.307 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4c(C)cc(C)cc4C)C3=O)cc2[N+](=O)[O-])cc1 409374393 OLBYKTDINHVNDI-OYKKKHCWSA-N 547.658 6.655 5 40 KKBB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(Cl)c(Cl)c1 409402122 VITGIBUFJRTSCT-OCKHKDLRSA-N 590.372 5.352 5 40 KKBB CCc1nc2c(c(=O)n1-c1sc3c(c1C(=O)OC)CCCC3)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 1897845 YRZTWUPUCOXMAB-UHFFFAOYSA-N 570.074 6.216 5 40 KKBB c1ccc(-c2ccc(-c3nc(-c4c5ccccc5cc5ccccc45)[nH]c3-c3ccc(-c4ccccc4)cc3)cc2)cc1 6446845 XBOOXYFWQMTLIG-UHFFFAOYSA-N 548.689 11.051 5 40 KKBB COc1ccc(CSc2nc(-c3ccc(Cl)cc3)cn2C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 12371413 FLYDQTSOEPIKPS-UHFFFAOYSA-N 510.059 7.338 5 40 KKBB O=C(Nc1ccc(Cc2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 29501114 HZBKGOAPKBNSFI-UHFFFAOYSA-N 664.723 5.802 5 40 KKBB O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33742058 WEDDCVJQASLXLT-UHFFFAOYSA-N 500.561 6.258 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F 97949278 YDWSGPVEJKCFPS-SFTDATJTSA-N 715.708 8.675 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2cc(Br)ccc2O)c(C)c1 97950081 KODCQAWGQSAKNC-UHFFFAOYSA-N 554.426 5.658 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 97980156 VPRGRGQLRLNGBU-OXMMHQGISA-N 540.834 7.992 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 100357708 VKXKTXOJGOMSOY-FSJBWODESA-N 545.400 6.726 5 40 KKBB CCCCCc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103060451 RTWWHVYTDFRGAQ-FFZMAEAUSA-N 625.725 7.574 5 40 KKBB COc1ccc(OC)c(-n2c(SCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc3ccccc3c2=O)c1 103078711 IUKWMCPGZDCDEB-UHFFFAOYSA-N 560.510 5.061 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306409 CYUVHPWLADXMHO-UHFFFAOYSA-N 572.430 5.673 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(I)cc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105308078 SLEYXXKHILZLBG-UHFFFAOYSA-N 613.437 5.735 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Br)cc1 106743477 DMGFPMCWYYTLPV-QRVIBDJDSA-N 555.406 6.181 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 150363265 OYNDZYVLFLHDJA-ZSWKDXAVSA-N 656.072 5.486 5 40 KKBB CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)c(C(=O)OCC)c1C 150391020 LDMYFXHIIZESRY-IBGZPJMESA-N 680.765 5.007 5 40 KKBB O=c1/c(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163233169 IQEIFXOXAQOGHS-GUHKKKFHSA-N 761.701 9.114 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 163707891 BWOLTBJQOVKJRV-MFCBUNOESA-N 632.676 5.129 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 224033254 LOMFAHMBGCAYQA-DQEYMECFSA-N 516.535 5.164 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1C 225282575 VXCRJKWGYOBHNS-VSGBNLITSA-N 573.631 5.329 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260813677 SWTWCOHRLLDVIA-HSZRJFAPSA-N 657.189 5.279 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 408572385 QZYPYELLDRUXMV-VWLOTQADSA-N 678.403 7.197 5 40 KKBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 408644642 HDKCMSSGHBWARV-KTERKQDUSA-N 646.450 5.014 5 40 KKBB O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408657726 NMNJUOVBYOZAGB-NTDMNLGMSA-N 633.871 6.703 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408733381 HSAHOKJDSLUDQN-ZJTZAHLKSA-N 650.496 6.533 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408734406 XSSQSOUSWQFXTI-OKMHPQNISA-N 765.038 6.970 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1cccc2ccccc12 408877840 UVEDZUQDCVHQDH-PRLWALMFSA-N 644.503 5.882 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 408916464 CSYPOWBAGCFTQW-WSDLNYQXSA-N 571.970 5.650 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408944217 UOGKIDKSKXZDMC-TZUCAZQYSA-N 722.614 5.844 5 40 KKBB Cc1c(Br)ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(C(=O)O)cc2)C3=O)c1C 409001319 PCCKQARKNVGEEU-UHFFFAOYSA-N 560.360 6.370 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409033470 LKCNFKMDAMEKPE-RIURADFVSA-N 835.513 6.305 5 40 KKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2Br)cc1 409109713 JSAGQJSDHKRIQU-UHFFFAOYSA-N 505.368 7.341 5 40 KKBB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409123746 HTAKJJQONUXYMI-XMMPIXPASA-N 532.626 5.217 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409151889 ILBRKULGPAVYBF-MFKUBSTISA-N 547.589 5.556 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccccc1OC 409188107 ANQFBCRVXSSTQZ-ITNAUSPISA-N 744.299 6.103 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409270030 NUWAKXBPPSUNMB-AFUMVMLFSA-N 640.512 6.627 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 409273757 SFUWUJZLKWKBPF-KEBDBYFISA-N 532.361 6.145 5 40 KKBB C[C@H](OC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 6153154 TXSKXQOTECQOLR-ZDUSSCGKSA-N 571.917 5.252 5 40 KKBB Cc1nc(Nc2ccc(I)cc2)nc(Nc2ccc(I)cc2)c1[N+](=O)[O-] 8434844 PGTCKVCOPWTBTB-UHFFFAOYSA-N 573.132 5.390 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccc7c(c6)CCC7)o5)nc34)c12 13644101 KWPRZIGMOGJYDL-UHFFFAOYSA-N 503.534 6.461 5 40 KKBB CCN1CCN([P@@](=Nc2ccc([N+](=O)[O-])cc2Br)(c2c(C)cn(-c3ccccc3)c2C)C(C)(C)C)CC1 97984884 LIZAQSLJKDJCSB-QNGWXLTQSA-N 586.515 7.274 5 40 KKBB CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@]2(S1)SC(c1ccccc1C)(c1ccccc1C)c1ccccc12 101406750 DGAYSWRVHOAXOV-HKBQPEDESA-N 551.693 7.517 5 40 KKBB O=C(COC(=O)c1ccccc1SCC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 102766025 SPFCRUVBXLOOFQ-UHFFFAOYSA-N 529.368 5.128 5 40 KKBB Cc1ccc(N2C(=O)N(c3ccc(C)cc3)C(=O)C3(Cc4cc([N+](=O)[O-])ccc4N4CC[C@H](C)C[C@H]43)C2=O)cc1 102773939 ZHMPSVRXUUTODJ-IDISGSTGSA-N 538.604 5.559 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 150342267 GTWCJTCLUDDBKZ-YXDQGSNCSA-N 658.914 5.391 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)c1 150392841 PMXXEFFVZPTVJQ-ISZRBDKASA-N 632.698 5.370 5 40 KKBB COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc(OC)c1OC 150484682 QZOKCCQWDLRLBL-DRBQYUEGSA-N 682.711 5.454 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(C(=O)OCC)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163626981 PRESDCLZYVBUOB-LMSRTUJASA-N 794.986 6.421 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214166973 RTMSPZPIUJNRHT-FSJBWODESA-N 555.952 6.584 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCC 214895842 PJKZVCHUEUUQPX-WOJGMQOQSA-N 507.362 5.391 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214899691 MLYIXKGGJHWRRI-SRZZPIQSSA-N 586.376 6.303 5 40 KKBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 222992929 CUQMXBNVMXZSMW-NDEPHWFRSA-N 549.693 5.249 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccco1)[C@]21C(=O)Nc2ccccc21 248332141 IIGHFBBSFNYSHR-CKXMCULTSA-N 545.551 5.434 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 408566037 DPKJBFJAKJZMGL-DEOSSOPVSA-N 587.471 6.483 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c1 408570580 LLJZVYOKJYHNJQ-XMMPIXPASA-N 512.994 6.366 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408571292 OHAHCANSSAWCGW-HSZRJFAPSA-N 563.894 7.533 5 40 KKBB CCn1c(S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633927 NRALXVZIPOIYKU-HAHDFKILSA-N 536.997 6.323 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408643434 PLWVRNHGOGDZJM-UHFFFAOYSA-N 662.836 5.766 5 40 KKBB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408889289 BLRKZFJOAUVXBO-XKZIYDEJSA-N 552.406 5.105 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 408919280 VUHHRWNFYCNPTB-OEAKJJBVSA-N 612.458 6.010 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1 408984756 JWRUAZOKCFKMNX-GBIJUZDQSA-N 612.063 5.757 5 40 KKBB CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)N(C)C2=S)cc1 409038406 VFMJUKLIPWGRQT-UCQKPKSFSA-N 598.475 5.948 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409077814 FYSHKBHWRWXMQO-FHQMNNMHSA-N 694.560 5.065 5 40 KKBB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1Cl 409179967 RDTFTXLJFMFJHY-DEOSSOPVSA-N 501.322 5.788 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4c(ccc5ccccc45)C3=C[C@@H](c3ccc4c(c3)OCO4)[C@H]2C1=O 409337385 ZVHSUPOWKRFYON-SIZNEBELSA-N 574.545 5.307 5 40 KKBB COc1ccc(Cn2cc(OC(=O)c3cccs3)c3c2nc(-c2cccs2)n2c4ccccc4nc32)cc1 2194458 WNCACWREKMJISZ-UHFFFAOYSA-N 536.638 6.903 5 40 KKBB C[C@@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1[N+](=O)[O-])c1ccccc1 9601713 ZMXHFIWEYLGTRJ-OAQYLSRUSA-N 516.623 5.432 5 40 KKBB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1 33354955 ORKIHRWQYUITAZ-UERHPDGWSA-N 581.739 5.081 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 100070657 BXNQDLCKVQPSKL-HOSOATPESA-N 616.673 7.092 5 40 KKBB COc1cc(C(=O)OCc2nc(-c3ccccc3Cl)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 102900218 KZTANUYVNTYURP-UHFFFAOYSA-N 516.293 6.110 5 40 KKBB CCOc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 105990107 GRKVKYDAHGSZLD-RGSZASNESA-N 604.413 5.666 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(F)cc4[N+](=O)[O-])C(=O)[C@H]32)c2ccc(OC)cc2)cc1 112255660 LNOWRYJZHHMYLY-TUJIQRHUSA-N 526.520 5.175 5 40 KKBB CCCCCOc1ccccc1[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2)N1C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 150352100 KLAXDZYINVRTAJ-DWVDDSTMSA-N 656.761 5.960 5 40 KKBB O=[N+]([O-])c1ccc(Sc2cc(S(=O)(=O)c3ccc(Cl)c(Sc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)ccc2Cl)c([N+](=O)[O-])c1 150453413 SMDDKTUCQLNNLZ-UHFFFAOYSA-N 683.485 7.761 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 150644611 HCUASSZGQJKMAB-AGSVCEGISA-N 671.536 8.091 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC 205679751 QLEMHNIJKFLMAN-WOJGMQOQSA-N 507.362 5.391 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 214414423 HIWOBRVMTPKOFR-FOKLQQMPSA-N 685.323 7.720 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222703170 FPCZECKYLCBCJZ-LJAQVGFWSA-N 655.560 5.483 5 40 KKBB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)nc1 224764380 VXFCENXBXMFEDA-URLMMPGGSA-N 564.696 6.812 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225089774 BJCJMFOULZWJTH-AREMUKBSSA-N 574.530 6.300 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 225583121 CMBWYFNWTGWVEU-SVBPBHIXSA-N 527.606 5.560 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261061434 NUELHNIUVSEGSR-JKFCTSDTSA-N 707.249 6.315 5 40 KKBB CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408554888 DVTVBVXPJBTVQP-UHFFFAOYSA-N 580.184 8.486 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 408564968 AVBYWQDZCRKZDY-NDEPHWFRSA-N 605.514 7.189 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 408567138 GOZJQPLGIKPKOL-HSZRJFAPSA-N 579.893 7.234 5 40 KKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1c[nH]c2ccccc12 408573556 TVIYSPSAGJTPIA-DEOSSOPVSA-N 501.380 7.071 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(F)cc1 408575629 WSILEVMAZJOHBP-SANMLTNESA-N 615.525 7.182 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408640028 ABNIQBVAUDGCAM-YASBFDIKSA-N 712.114 6.600 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408641380 KESHBJLSNQPQCT-ZKSIBHASSA-N 813.088 8.381 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408642725 FCPFDPLBPSFSDH-RAWLKHAVSA-N 592.007 5.381 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408664983 ZBDXGRICTLXCCJ-DEOSSOPVSA-N 643.446 6.023 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 408728677 REDVZBFTXOSVCM-JUJAOGAQSA-N 584.220 5.013 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3c(O)ccc4ccccc34)c2=O)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732045 OMTQCHKIACTWTR-AMQCUNCASA-N 665.724 5.652 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735755 WWRPDUGHKZDVND-KFOJKGMOSA-N 673.744 5.092 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408946934 ZPNQDWZFPOOOFM-BUDNTJSZSA-N 761.478 7.142 5 40 KKBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409008856 NBUMELPLYVUQQY-SGEFVQMOSA-N 569.817 5.578 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)C2=O)cc1 409094475 FDQAECRZLDOPEB-OGLMXYFKSA-N 583.622 6.401 5 40 KKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)cc1 409177638 BHCCOPLYHYARMK-LPYMAVHISA-N 507.524 5.101 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409238723 BJCPKYPOWCBUGF-SSDVNMTOSA-N 616.421 5.759 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 409269209 HBXVPHXLELPALS-CFRMEGHHSA-N 596.459 6.228 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1 409274400 CWDWKOBJKOAHFC-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc(I)cc1 409342493 FKKXPKCLYUUXOD-ODLFYWEKSA-N 602.366 5.062 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n1C 409360457 QCFGQAKYIHANKF-HXUWFJFHSA-N 565.483 5.587 5 40 KKBB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccccc5)cc([N+](=O)[O-])c4)c(Cl)c3N2)cc1 1818948 SEDJFKVBFJEBFV-VXKWHMMOSA-N 587.942 7.158 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@H](c1cccc(Cl)c1Cl)N1C(=N2)C(O)=Nc2ccccc21 3309919 JIFLZHJMCSNVKJ-QFIPXVFZSA-N 519.348 6.637 5 40 KKBB C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccc([N+](=O)[O-])cc45)cc3)cc2)cc1 5011444 SDVVSJQTYKFAFR-UHFFFAOYSA-P 506.566 5.137 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)C(c1ccccc1)c1ccccc1 100820974 VBUQGODIBAMKHM-FTTXPQLCSA-N 568.633 5.134 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 101673632 KHCVIOANXKIKGD-WFPUBZAHSA-N 571.589 5.460 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 102747796 HYBUQLUCDVUQJM-SDHSZQHLSA-N 515.909 5.559 5 40 KKBB Cc1ccc(-n2c(C)c3c(c2C)[P@](=Nc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)N(c2ccccc2)N=C3)cc1 102937907 FQCUIZRGPFCAAZ-FAIXQHPJSA-N 554.591 6.485 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1cccc([N+](=O)[O-])c1)(N1CCOCC1)N(C1CC1)C(c1ccccc1)=N2 102940437 PACIYQGNKWXMCV-RWYGWLOXSA-N 567.590 5.966 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(O)c1C(c1ccccc1)c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1O 103762220 TZYJGZYVPQAAKP-UHFFFAOYSA-N 526.509 5.083 5 40 KKBB COc1c2c(cc3c1[C@@H](CC(=O)[C@H]1CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]14C)[N+](C)(C)CC3)OCO2 118920373 ZZXJOMSIUOUAHV-LDHDYSPKSA-N 550.760 5.997 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223402346 AAMXNHWPVLWCFE-FQEVSTJZSA-N 700.041 6.401 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224420399 VZPZTTSSLOCCRL-WJOKGBTCSA-N 693.620 5.719 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224793450 RADHDMYQMJQTTJ-SANMLTNESA-N 714.068 6.647 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224918884 OPZOEKNGCLLVSJ-IBGZPJMESA-N 607.516 5.040 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 224996214 GLSHOGKNICWMGE-URLMMPGGSA-N 573.122 6.847 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)c(Cl)c1)[C@@H]1CCCN12 408565401 KHPWUVNCUSGBDS-UQBYDPJISA-N 507.949 5.113 5 40 KKBB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Br)cc4)cc3)CC2=O)cc1[N+](=O)[O-] 408638188 BSGASUKDTLOTFX-MRXNPFEDSA-N 510.344 5.450 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408638313 REJDSKPBAISPAR-NDEPHWFRSA-N 656.647 7.052 5 40 KKBB O=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)Nc4ccccc4[N+](=O)[O-])c3cc12 408719356 CLLTXOVWQQOCOL-UHFFFAOYSA-N 660.646 8.438 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)S2)cc1 408787291 WPQNSNBMXPKAMG-QDNAUZDWSA-N 619.335 6.861 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1ccccc1 408807641 DPHDPYLXZPEYCE-NDENLUEZSA-N 637.249 6.782 5 40 KKBB O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408844253 VMLRTNSOUNNUCC-HRIDGTDGSA-N 549.583 5.626 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408937614 KDSPOOXCQYAJJH-ITNPZBTBSA-N 722.614 5.844 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408945670 XOHGNPZVGUHGIE-SZYVSPPHSA-N 761.478 7.142 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408992348 AKLMPQJRDQJMKW-JBVGNYNVSA-N 911.556 7.755 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409087302 YHFMYYZZFJFPDD-FSEOGBMLSA-N 702.967 5.790 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 409157712 WFQLIRGLJVWUQC-DTDQMKFYSA-N 635.698 5.729 5 40 KKBB CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409269833 FIODCWNXXOZLNN-VIZOYTHASA-N 503.252 5.835 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409368121 RZIRZCIYWMWACW-UHFFFAOYSA-N 582.016 7.497 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCc2ccccc2C1 409380743 AAUZJJSSFRCKDT-QFEZKATASA-N 608.470 5.558 5 40 KKBB Cc1ccc(-c2nc(NC(=O)c3ccc(Br)cc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 2075717 ZMCMBGYTOZJYMK-UHFFFAOYSA-N 508.397 7.017 5 40 KKBB C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@H](CCC(=O)OC)[C@@H]3C 5439065 IWKYEJKHXKRZIJ-MWFNXMJCSA-N 606.723 7.209 5 40 KKBB biogenic O=c1c2cc(I)ccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 9068852 XHLIWLNOQNDDIU-FMIVXFBMSA-N 509.303 5.128 5 40 KKBB c1ccc2c(-c3ccc(-c4c5c(cc6ccccc46)C[N+]4(CCCCC4)C5)cc3)c3c(cc2c1)C[N+]1(CCCCC1)C3 101178774 JKFKIIBCDWEHJM-UHFFFAOYSA-N 550.790 9.356 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1Cl 102552258 FXKSHPPPZXGTLA-XCVCLJGOSA-N 564.166 6.376 5 40 KKBB COc1cc(-c2cc(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c3ccccc3n2)cc(OC)c1OC 103101735 ATNAGLGLVYFJQE-UHFFFAOYSA-N 585.491 5.650 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccccc1F 103791176 RPJDDVFCZGPINK-GEYGMGCISA-N 619.674 5.954 5 40 KKBB O=C(c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 104048087 PSKLIOBANDLWFU-JWJYQFCWSA-N 579.660 5.899 5 40 KKBB O=C(c1ccccc1)[C@H]1C[C@@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)c1c2c2ccccc2c2ccccc12 104183269 IFNGUSWXGUKLEO-YRUAXCGDSA-N 514.624 8.051 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 150396358 ZCNGZTLLSSVYSE-JBVGNYNVSA-N 647.753 6.844 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 214767610 MEJFZSVPGOTEIY-FOKLQQMPSA-N 545.400 6.726 5 40 KKBB COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224782802 AHMZGKDZDOYZTH-LOYHVIPDSA-N 579.707 7.117 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 225125934 DAEDLPGGDATNTM-XIFFEERXSA-N 723.248 5.934 5 40 KKBB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccc(C)cc3)=C2c2ccc(C)cc2)c([N+](=O)[O-])c1 253575291 ULAFCUFWTKBHAX-FGDVEMDPSA-N 660.726 7.409 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408575461 WIHKYPCGFRBQFW-RUZDIDTESA-N 573.502 7.279 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)c1 408636968 DQVHFIRWHSSQLQ-OAQYLSRUSA-N 516.550 5.598 5 40 KKBB O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Sc2ccc(Cl)cc2)cc1 408643302 ACGUYNITSLEIJN-UHFFFAOYSA-N 513.959 5.300 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408646265 IMOACOJOBZEGFB-YASBFDIKSA-N 746.559 7.253 5 40 KKBB CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 408649557 LGARGYAHOWSVMN-GDLZYMKVSA-N 698.728 7.711 5 40 KKBB Cc1ccc(NC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 408657842 NQJUXGSXHQWLET-GNBTXOOPSA-N 578.452 5.460 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408690153 ZUOCJTRHJWKHPY-TUSFPTNYSA-N 658.536 6.252 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733716 OXTLMVMDAUHDQD-HQOQCIRISA-N 769.059 7.904 5 40 KKBB O=C(Oc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1)c1ccc([N+](=O)[O-])cc1 408843748 SAEOKLXKEOPUIP-LXKZMGPHSA-N 653.691 6.738 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409035681 QAXDHYBOSSAWPN-GWRYVSOYSA-N 757.059 6.497 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc2ccccc12 409087525 CWTUQNHYRRJVOF-UQDCTOEPSA-N 583.597 5.259 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409092468 YUQLHYUBMZNTKB-MHRPSJHKSA-N 716.197 5.461 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(C)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409103597 AOOHYFCYZBSFAE-FUAQWRKOSA-N 678.836 6.633 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409144325 JIUMONGTIFNBAS-SAGCDJCOSA-N 676.824 6.464 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409230795 GRPNDQUZTVMJIV-FSJBWODESA-N 585.997 6.040 5 40 KKBB Cc1c(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409244753 IGFIOCIWQSQSMK-AFUMVMLFSA-N 544.564 5.720 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 409333533 KHAGEJIQOPIXET-VPHSIRQSSA-N 674.529 6.297 5 40 KKBB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 1417356 KXUSHXSKBYIWNS-RQZCQDPDSA-N 511.339 5.080 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)cc1[N+](=O)[O-] 5949399 QNQVSAXEXAFAGP-UHFFFAOYSA-N 520.567 5.554 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(c1ccccc1)=NN2c1ccccc1 8407441 JNQHBFUMZTVGBB-GDLZYMKVSA-N 519.586 6.134 5 40 KKBB CCc1ccc(S(=O)(=O)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc3oc(C)c(C(C)=O)c3c2)cc1 8765791 ZXDGNCIPOPYHDC-UHFFFAOYSA-N 506.536 5.450 5 40 KKBB C[C@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1[N+](=O)[O-])c1ccccc1 9601712 ZMXHFIWEYLGTRJ-NRFANRHFSA-N 516.623 5.432 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OCc5ccccc5)c(OCC)c4)[C@@H]3C2=O)cc1 98000308 XFILOKFZRPTWTH-ZDCRTTOTSA-N 623.662 6.412 5 40 KKBB Cc1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c([N+](=O)[O-])c1 100947415 VTKILNNXQMIYPK-SSEXGKCCSA-N 561.598 5.426 5 40 KKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1 101139951 WHGFFUIFKMPOMF-UHFFFAOYSA-N 532.931 6.851 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=C(O)C1 102485835 LYSZPNSRNSPJSA-JGCGQSQUSA-N 547.611 7.890 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)COc1ccc(Cl)cc1Cl 103628877 PKWKVSFHPMOVCF-FSRJSHLRSA-N 569.445 5.144 5 40 KKBB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105304589 IUDNMDVSJPPFRS-UHFFFAOYSA-N 540.601 7.222 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(C)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)c([N+](=O)[O-])c1 111472903 XIWHPJGXBSKTQW-JLKMOJGBSA-N 606.660 5.359 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 150396407 MJNAUSZPQJKLMY-JGAIACPSSA-N 700.523 5.595 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1 150664110 SEXAKKNDQXAJDL-VIBBIMNMSA-N 676.725 7.109 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222680229 LHPYWOBDUDIBPP-JGCGQSQUSA-N 663.196 5.856 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223505313 TZAYBJLXXWBWSC-SANMLTNESA-N 635.570 5.819 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224512914 HIJQLMAUZYLSJM-XIFFEERXSA-N 727.667 6.580 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 224969963 UELUOHAOCFMGFM-BJKOFHAPSA-N 506.971 6.089 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 225084499 NRAVZGVOACBCHM-JSOSNVBQSA-N 591.649 6.444 5 40 KKBB Cc1ccc2c(c1)N1[C@H](C(=O)c3ccccc3)[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]1C=C2 253487869 SETJNAPNEKCWEW-AOFBEVEVSA-N 555.590 5.759 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc(F)c1 408567163 GQHDWYWTCUVRNW-DEOSSOPVSA-N 587.471 6.483 5 40 KKBB Cc1ccc(COc2ccc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(Cl)cc3)cc2Br)cc1 408569486 JEKAXHZNVXSRTD-XMMPIXPASA-N 573.900 6.989 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 408571556 OZQFBURGAXLNCL-RUZDIDTESA-N 557.047 6.683 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 408571828 PQGQFKDPSUGQBF-QHCPKHFHSA-N 628.763 7.988 5 40 KKBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)CC2)c([N+](=O)[O-])c1 408572559 KAEBDOXYXZFECJ-UHFFFAOYSA-N 518.353 5.301 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc(Cl)c(Cl)c3)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 408641979 LSEWOGBAEIBKDG-UHFFFAOYSA-N 668.467 5.514 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408650097 ZLBLVMULJKCPMS-LAMXGVLKSA-N 638.460 5.782 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733556 JSMKFNNXSZFSIW-YVBHXKDBSA-N 640.630 5.443 5 40 KKBB CCN(CC)c1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408757885 ROUUKJQFCPGFBV-UHFFFAOYSA-N 514.969 6.792 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)Cc1ccccc1 408841015 FCIOQWINXSNRRI-UDWIEESQSA-N 562.987 6.354 5 40 KKBB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)c1 408921714 VWOLHEKTTBMXDO-ZXVVBBHZSA-N 513.575 5.883 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408939941 NQNYZIHBTBVLBP-QUNTYYFUSA-N 771.484 6.598 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409031495 AUROLJLHFXJHSK-BXMULHQWSA-N 895.510 6.291 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c2=O)=N1 409033400 LEUIWIPLGUPQLA-UQDCTOEPSA-N 622.099 5.717 5 40 KKBB Cc1sc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)nc1-c1ccccc1 409129477 GRTGRAYMCZJUPV-OAQYLSRUSA-N 565.681 5.013 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)c1 409160502 QMUXVCGMAQDGST-UUYOSTAYSA-N 523.592 5.869 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)ccc1Cl 409164352 HIVXTWATEJLNQG-QFEZKATASA-N 660.557 7.685 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O 409192705 ZHHBIUPJVATLDC-JKYQMCTKSA-N 588.197 6.627 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409382012 XEFRPSQQKWDTJI-QFEZKATASA-N 594.045 5.457 5 40 KKBB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)c3ccccc3n2)cc1C 1844482 LFQREFJEYOCSHG-UHFFFAOYSA-N 566.997 7.912 5 40 KKBB CC(C)(C)c1ccc2c(c1)[C@H]1c3ccc(C(C)(C)C)cc3[C@@H]2[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 8927019 DXEVLMYTGDEGKM-BIYDSLDMSA-N 508.618 6.586 5 40 KKBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 15906540 FOJYMTBFVIMQLD-WOKMFYHXSA-N 518.476 6.218 5 40 KKBB O=C(c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 97971280 GONMSONKEHLAPM-CCDXSZQJSA-N 657.104 7.426 5 40 KKBB COc1ccc(CCNCCCNc2cc3oc4cccc(C)c4[nH]c3c3c(=O)c4ccccc4c(=O)c23)cc1OC 102467099 SYPVPRXAGGWGBY-UHFFFAOYSA-N 563.654 5.901 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306403 ABFBSUQBONLYHM-UHFFFAOYSA-N 537.985 5.020 5 40 KKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 108518659 FGTMCOOLDJZQHR-UHFFFAOYSA-N 570.439 7.139 5 40 KKBB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)/C=C/c5c6ccccc6cc6ccccc56)CC[C@]4(C)[C@H]3CC[C@@]21C 118916999 HWPKACQLFFCDBD-RNBYMPBRSA-N 616.930 11.959 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 163766642 SIIVSACOETZUKM-ANHNRMLZSA-N 710.768 6.560 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224297173 WZYCZKWGBHORGB-NRFANRHFSA-N 649.141 5.089 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 230005347 QOTPHVVLIPXXEX-CKPORNQBSA-N 610.453 6.883 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261001820 PYNYDSVEJSSYNF-MGBGTMOVSA-N 675.207 6.142 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408566651 OHUBQQSZSAXIBZ-YJIIWGRFSA-N 586.870 5.602 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1ccc(F)cc1 408568620 ICQZMIKCGPLGIB-QHCPKHFHSA-N 561.408 6.306 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1C 408570964 MMPMIIKRHDXJBL-RUZDIDTESA-N 554.028 6.443 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 408623180 RBXVIPQEXQJZFB-VVHYXOSJSA-N 637.091 7.437 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)S2)cc1 408786981 ZBUCJFVCKGJNCF-GSFJQCGGSA-N 572.690 7.882 5 40 KKBB Cc1ccccc1NCc1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409112432 CQTOBJYFDQQYJK-UHFFFAOYSA-N 506.194 6.619 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(Br)cc2)N1Cc1ccccc1 409118496 QPHULRRTFLANBP-HHHXNRCGSA-N 528.406 6.719 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)o1 409160808 XGRGHLYAOSDXMJ-RGVLZGJSSA-N 558.366 5.301 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 409161929 XCZZZHILTZMROU-UFKHLRDRSA-N 649.725 6.199 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 409263806 CDMOCYPVMQMDDO-KSEXSDGBSA-N 632.876 6.273 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409351242 ZWYIHBDUWFXTJV-UCQKPKSFSA-N 548.577 5.589 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 409371027 AKABGPIEVQCZHQ-CFRMEGHHSA-N 610.486 6.537 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c(C)c1 409374159 KHJSHNPIPROPFZ-WGARJPEWSA-N 554.628 6.198 5 40 KKBB O=C(Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1Cl 1948840 OIOAGDMAGLZRJC-UHFFFAOYSA-N 554.127 6.567 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1ccccc1OCc1ccccc1Br 2084774 OQENJTBFXHBTAS-JAIQZWGSSA-N 513.731 5.934 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(CSc3ccccc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 8384581 PCUFTAOYONUMOB-UHFFFAOYSA-N 577.684 6.038 5 40 KKBB O=c1c(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCCCC2)cc2cccc3c2n1CC3 79479833 CKRBUEOAOJKYEP-UHFFFAOYSA-N 520.589 6.565 5 40 KKBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(NC(=O)c3ccc(Br)cc3)c1)C2=O)c1ccc([N+](=O)[O-])cc1 97949007 JISIINGZAPHPNX-UHFFFAOYSA-N 628.391 5.450 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C 100359366 UFKGMYQGNGEPHM-MFKUBSTISA-N 547.589 5.556 5 40 KKBB CCc1cc2c(=O)n(CCc3ccc(OC)c(OC)c3)c(SCC(=O)Nc3cc(OC)c([N+](=O)[O-])cc3C)nc2s1 103116128 DMYVHQVQIKRAPA-UHFFFAOYSA-N 598.703 5.236 5 40 KKBB COc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 105311498 KDSRTNSYKASOJU-UHFFFAOYSA-N 533.418 6.314 5 40 KKBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 106404990 BQWFKPCFOOFEAD-UHFFFAOYSA-N 569.451 7.565 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1 107992306 NEDRYBPZTOGQAA-JYEOXSSPSA-N 605.522 7.421 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc(Cl)cc1Cl 150362845 KHOVAQXZWCCUJG-KZNMCXCVSA-N 684.601 7.511 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 150391883 WJRVBGKMNRCLEM-OINPTKSXSA-N 686.540 5.875 5 40 KKBB O=c1/c(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 163303204 GWUFUYKARZWOOT-RRLWTYHVSA-N 682.805 8.352 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1Br 215091492 PVOUVQNMLMLIHG-SRZZPIQSSA-N 556.350 6.294 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223818511 KSISPKGJTKTVQM-NRFANRHFSA-N 677.607 5.890 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224431379 POUZKIDOQCLPSH-HHHXNRCGSA-N 726.079 6.934 5 40 KKBB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224760906 WSRHYOVRMXKJAT-XZOQPEGZSA-N 504.662 6.688 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)cc1 224787942 KQJVKRRBSKDQGQ-FQLXRVMXSA-N 619.555 8.885 5 40 KKBB COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224792552 MDBIVBULWNUQRJ-LOYHVIPDSA-N 607.717 6.895 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224889053 FVFKREIJUYDITO-YTTGMZPUSA-N 727.667 6.579 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 225658490 YBNOVAXRTFDULT-SXOMAYOGSA-N 527.606 5.560 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260934049 PSJNZXPPMPNZEX-UUWRZZSWSA-N 723.679 7.186 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 408563199 AAUKIXHAHKGDMC-YDOVEJIGSA-N 542.419 5.493 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1F 408577073 YNTXXELWZVEFBG-FQEVSTJZSA-N 513.363 6.456 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408642765 FDZQEZVMFJDHOY-AGTZKDDFSA-N 592.007 5.381 5 40 KKBB CCOc1cc(CNc2ccccc2CC)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409135016 QSSARWIKYJEURO-UHFFFAOYSA-N 532.378 6.352 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc5ccccc45)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409172421 HRRNZXDOJGLYNB-VNOBABJFSA-N 649.725 5.756 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 409180741 ZMKZLGQAEMXQLP-UHFFFAOYSA-N 539.456 5.453 5 40 KKBB COc1cc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc(OC)c1OC 409191545 YTJFEMQHUXIBGN-VIBAAIGISA-N 609.385 5.346 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 1317392 SSLADMRIBCDDLP-RXVVDRJESA-N 529.500 6.558 5 40 KKBB CC(=O)c1cc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 4017325 USBJXUFFSRNAOT-UHFFFAOYSA-N 608.151 5.669 5 40 KKBB CCn1c2ccccc2c2cc(-n3c4nc5ccccc5nc4c4c(=O)n(CCc5ccccc5)c(C)nc43)ccc21 97951223 DFYXQCMLYKHBOA-UHFFFAOYSA-N 548.650 6.963 5 40 KKBB CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 98000208 PWBCNOWNLUBNBZ-LSQMVHIFSA-N 582.407 5.075 5 40 KKBB Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(NS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)cc2)cc1[N+](=O)[O-] 100048493 YTIMERIOCXABID-UHFFFAOYSA-N 582.616 5.388 5 40 KKBB CCn1cc(-c2ccnc3c2cc(-c2cccc(C=O)c2)n3S(=O)(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 100462591 LOYUSNXFYAAKOV-UHFFFAOYSA-N 577.622 6.211 5 40 KKBB CCOC(=O)c1ccc(NC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 101329576 KPHXLKIEADCUNC-UHFFFAOYSA-N 597.580 5.869 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2=O)=N1 104676508 UJLRDJSMZPXEBD-HDFSHUSISA-N 585.682 5.870 5 40 KKBB CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3Cl)CC2)cc1 105026238 DDFFVCPVKJFGRT-UHFFFAOYSA-N 612.108 5.135 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 105303684 HSWFRALGZGBQAQ-XBXARRHUSA-N 616.527 5.235 5 40 KKBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(I)cc1 106738355 GQZLENNHPUDRJV-NVNXTCNLSA-N 500.701 5.089 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1cccc(Br)c1 106743276 WVTCYBYVTYIMDK-UUYOSTAYSA-N 569.389 5.822 5 40 KKBB O=c1/c(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163219511 XOIBRILUXUYXMU-FVUNBJOLSA-N 729.450 7.331 5 40 KKBB Cc1cccc(CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)c1 214639837 KYFDPSQGYXJEOK-WSDLNYQXSA-N 514.481 6.951 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 215244985 DJPVFWOGEHNKGM-PGGKNCGUSA-N 554.964 5.801 5 40 KKBB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 224857593 DEWLQMBFMIWRGV-JWQCQUIFSA-N 502.552 5.444 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1C 225172379 LWRQYQCDEXLDNE-WUFINQPMSA-N 557.632 6.092 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 225175190 YAXQQFANTVUTAR-SXOMAYOGSA-N 527.606 6.084 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 408564972 GVYSRTNOWWDAFZ-FMKKUFMPSA-N 523.589 5.386 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408567078 GICOJMHILWJYOY-BABFKJTQSA-N 586.870 5.648 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)cc2)cc1C 408570990 MPLMUCNDJIBUTL-GDLZYMKVSA-N 524.646 7.035 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 408575494 WJOHYZGAJCRRCG-DEOSSOPVSA-N 664.376 6.807 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc(Cl)c1 408577167 YQEULBMDVXBRQD-QHCPKHFHSA-N 607.889 6.828 5 40 KKBB CCn1c(S/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408631783 GKIPBRDQMFDYNX-NVMPUMLXSA-N 673.751 8.233 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1cccc([N+](=O)[O-])c1 408638727 DFXWJTDZNPGQHZ-UHFFFAOYSA-N 601.613 6.398 5 40 KKBB CCOc1cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408819091 YDCFTQZIBPSTEF-FTLQYTSKSA-N 572.707 7.627 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408827610 LMJIXZMASYRGLI-USDTVRPUSA-N 739.588 5.597 5 40 KKBB CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 408839805 WMDKERFAUIEGTL-RGVLZGJSSA-N 527.316 5.864 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408851315 BIIIMSFXSLZJPR-OIUASMPBSA-N 643.718 5.081 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(Cl)cc5[N+](=O)[O-])C(=O)[C@@H]34)c(=O)n2[C@H]1c1cccc2ccccc12 409033346 DZYUJLNKBQYMOR-HUPDIZOPSA-N 807.284 6.716 5 40 KKBB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409079789 LURAJOUJDGMDAZ-UHFFFAOYSA-N 537.575 8.522 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409168440 RJSFUWHOPSSMDZ-RGVLZGJSSA-N 605.772 5.538 5 40 KKBB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409180272 VSHMMGLRVCCYIO-UHFFFAOYSA-N 689.168 5.517 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1 409330653 LKUBSBFCMYGSFH-ZMOGYAJESA-N 562.560 6.094 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)n1C 409347130 MHOGQYXDENPWNJ-HXUWFJFHSA-N 551.456 5.196 5 40 KKBB CCOc1c(I)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 409364272 OOHJAXCVGOSFFD-UHFFFAOYSA-N 518.307 5.429 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc(Br)cc4Br)c([N+](=O)[O-])c3)C2=O)o1 409401457 UDJNMGARJVRIGO-LSCVHKIXSA-N 635.221 5.171 5 40 KKBB O=C(Nc1cc(Cc2ccc(O)c(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1O)c1ccc([N+](=O)[O-])cc1 3142779 ANGRKWKKZATTLJ-UHFFFAOYSA-N 528.477 5.010 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@@]21C 4281036 MCSXGHLTXBACQB-MFXFLDQRSA-N 535.769 9.162 5 40 KKBB biogenic O=C(N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl)OCc1ccccc1 13304048 BYNGFEAQWOAKGI-CQSZACIVSA-N 512.202 5.157 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1C 14274767 MYPWLAMQYLIVGV-UHFFFAOYSA-N 515.595 5.747 5 40 KKBB CC[C@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc([N+](=O)[O-])c1)CC[C@H](C(C)(C)C)C2 15946692 KMIRVBGIUYWYKN-ICSRJNTNSA-N 526.703 6.263 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc2c1 16611045 OOEAHNJGIFUTEI-CQSZACIVSA-N 519.539 5.952 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 22278300 SIJAXQVEAKJBCQ-UHFFFAOYSA-N 515.591 5.019 5 40 KKBB O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1sc2c([N+](=O)[O-])cccc2c1Cl 59294267 BMSCZJIFRYHCBN-UHFFFAOYSA-N 500.388 7.645 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc2ccccc12 97954850 XPVKFGFAWTVPEG-GVAUOCQISA-N 534.355 6.106 5 40 KKBB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c3ccccc3n2)cc1OC 103095931 JNGHMBJFYSAOPB-UHFFFAOYSA-N 521.913 5.276 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)C2=O)cc1 106703690 VROSVIOXXFTAQX-YVNNLAQVSA-N 519.491 5.267 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)cc1 106709005 SYGCSXMYYGMPJV-QRVIBDJDSA-N 524.576 5.216 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106736578 KKFLLKWZHIQYGY-UYOCIXKTSA-N 555.952 5.799 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214166378 PEDVMEVHOBCWTA-SSDVNMTOSA-N 564.925 7.304 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 223778924 MFIOJUALBKJLBQ-LOSJGSFVSA-N 502.552 5.444 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223938611 LTLQFBDCHKYIMH-FQEVSTJZSA-N 526.417 5.013 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225330307 BLXVGNQKNBQQBP-SSEXGKCCSA-N 622.744 5.055 5 40 KKBB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 225354804 KGDVSTXJACAMQC-CLJLJLNGSA-N 500.580 6.214 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccccc1 408568064 HMEGQPZKYKFBKQ-JOCHJYFZSA-N 549.867 7.225 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408571663 PLDRTKBZGDLKHY-XMMPIXPASA-N 545.448 6.580 5 40 KKBB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccc([N+](=O)[O-])cc1 408647914 BXYMQOGSSILDCC-GIUSKXMWSA-N 655.490 5.525 5 40 KKBB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 408664603 SUSKJUKQJPDASN-HMZNYUFESA-N 626.496 6.046 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)cc1 408728865 VSAXATNKDHTDOO-OFRZWCKSSA-N 630.700 7.401 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1cccc(C(F)(F)F)c1 408873132 NLXLZENQQNQKTI-GRSHGNNSSA-N 551.886 6.202 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 409087835 ZXCXVQPWTGBKKR-NULZLWRNSA-N 610.623 5.190 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409103465 WOWMZFPOFLKZNS-XNENXQGPSA-N 664.809 6.325 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409135417 QMINELJIXMUHQL-QFIPXVFZSA-N 579.708 5.496 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409166645 DMEHFNDADNBIJT-ZMOGYAJESA-N 578.559 5.677 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)ccc1Cl 409175110 QAPZVAWGJFCPMT-WYMPLXKRSA-N 664.014 7.301 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409243196 QFOTZFUQSQPEOI-FSJBWODESA-N 585.997 6.040 5 40 KKBB CCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2C)c2nc3ccccc3nc12 3267857 HAGNJFLWQOCIMN-SAPNQHFASA-N 521.533 5.619 5 40 KKBB COc1cc(NC(=O)CSc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)c(C)cc1[N+](=O)[O-] 13098442 ORKJCIOSYLHLNE-UHFFFAOYSA-N 515.495 5.136 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 100892605 DUONHBGHQMEVTO-KEZOAJOQSA-N 534.355 5.300 5 40 KKBB Cc1ccc2oc3cc(NCCN4CCN(c5ccccc5)CC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 100922585 BEWYKKCSLRSZPC-UHFFFAOYSA-N 530.628 5.483 5 40 KKBB CCCCCn1/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101112010 CSYZXZKIQAMQPG-FSRJSHLRSA-N 514.626 5.055 5 40 KKBB CC1(C)C[C@@](C)(c2ccc(Br)cc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 105513322 WLPPOGLXTBOSIN-MHZLTWQESA-N 569.908 8.361 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccccc1 214670677 JMKBHNYOHOYZPW-SRZZPIQSSA-N 622.375 6.843 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223249695 QCXOHNQOHHUXDS-YTTGMZPUSA-N 693.222 5.845 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223342153 NFGFCAJHTXUBNH-QRRWFCJLSA-N 721.276 6.624 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224346804 MVGDGIJXTRWTBY-HHHXNRCGSA-N 691.634 6.280 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224560151 QRNSLGWPGBQYRV-MHZLTWQESA-N 635.570 5.142 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224682760 LVEDLIVPTBATBR-MUUNZHRXSA-N 645.178 5.340 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224919018 UDTHFRJPNLXHTO-HHHXNRCGSA-N 520.029 5.490 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 248328874 CELMTJHKWOYMKC-CTMYTVLESA-N 600.587 5.749 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(F)cc1 408564856 AOMZNPGOFKHBEA-SANMLTNESA-N 522.602 6.029 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408564888 GFWQCQPZUNNVOM-UMDVNSCSSA-N 568.457 6.026 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3cccc(C)c3)cc2Cl)cc1 408569978 KLXFHANEQSXKPK-DEOSSOPVSA-N 543.476 7.188 5 40 KKBB O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1cccc([N+](=O)[O-])c1 408656954 MOVNQAKYQIPBFE-LGAXSRDJSA-N 578.452 5.687 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731625 OERHPFKQAWZFLV-CQHAYFLCSA-N 766.785 5.899 5 40 KKBB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 408736593 DGZRROJXOPRDQP-RUZDIDTESA-N 514.607 5.630 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3OC)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 408755955 GKZZKPOWVKNNOG-DDIUQFJASA-N 591.645 5.504 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1 408848416 UQXSBYLOMYSPND-HTNWYMAZSA-N 676.751 5.768 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409037485 NSYSFTOLNZHXAA-DILIVHCESA-N 737.787 5.389 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409097566 IYYURIRNKFIJDF-QZVQSRICSA-N 699.254 6.978 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409099512 NVTNTMWOFWIYHH-MHRPSJHKSA-N 716.197 5.461 5 40 KKBB CC(C)CN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c2ccccc21 409121378 WNHUVINGWHEOMD-XKZIYDEJSA-N 507.384 6.480 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409153868 IXIOYACAEQOLOP-WYMPLXKRSA-N 704.939 6.450 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1C 409156541 GFSYCZSSSRSJDY-WGARJPEWSA-N 540.601 5.890 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C1=O)Nc1ccc2c(c1)OCO2 409171312 ZTDLTCLKKNAPTL-GZIVZEMBSA-N 666.384 6.572 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409203421 XVUQBIMURNDYGS-SRZZPIQSSA-N 575.824 6.839 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409212683 PHAWCWSPKMQTOS-WSDLNYQXSA-N 613.396 5.006 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409271843 DBBLCFGSDGAUMG-ZMOGYAJESA-N 538.965 5.755 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409274273 OIBZRQWKWKSPDQ-CXABMRDKSA-N 616.784 5.846 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1C 409347978 OAFVNTYKFLYBCQ-HXUWFJFHSA-N 551.456 5.196 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc5ccccc45)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409355397 CFKGYZCOECAPLU-VNOBABJFSA-N 742.648 6.908 5 40 KKBB Cc1ccc(C(C)C)c(Oc2cc(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3cccs3)N4)cc([N+](=O)[O-])c2)c1 1309759 IUUDJLOPKKTQAY-OFVILXPXSA-N 585.608 7.990 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cnn4c3N[C@H](c3cccs3)C[C@@H]4C(F)(F)F)cc([N+](=O)[O-])c2)cc1 1867701 AEIBMPISDLXFEC-JTHBVZDNSA-N 573.553 6.956 5 40 KKBB Cc1cc(C)c(CSc2nc(-c3ccc([N+](=O)[O-])cc3)cn2C(=O)c2cccc3ccccc23)c(C)c1 2370019 DLZWDJGYBGTDMX-UHFFFAOYSA-N 507.615 7.518 5 40 KKBB Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3cc(Sc4ccc(Br)cc4)cc([N+](=O)[O-])c3)nn12 3038157 DFMMMLVGKFOVON-UHFFFAOYSA-N 560.433 6.779 5 40 KKBB Cc1ccc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 9379788 FEPXKFQISQSSKZ-AWNIVKPZSA-N 509.303 5.377 5 40 KKBB O=C(c1ccc(F)cc1)N1[C@@H](c2ccccc2)COC12CCN(c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])CC2 12959745 WZHBYQQFFHSMCG-HSZRJFAPSA-N 574.487 5.871 5 40 KKBB Cc1ccc(S(=O)(=O)N2C/C(=C\c3ccc(COc4ccc(F)cc4F)o3)c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 100202491 PAVWZMVCIPKGGW-LICLKQGHSA-N 583.525 6.011 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 100358683 XZLLTSNYAPBIOJ-FSJBWODESA-N 528.945 6.211 5 40 KKBB Cc1ccccc1C(=O)CN1C(=O)[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)N=C(c2ccccc2)c2ccccc21 100947352 BMDQASUGDTWQGO-GDLZYMKVSA-N 582.016 5.771 5 40 KKBB COc1cc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 102897764 MAIDOMLDKFXAOY-UHFFFAOYSA-N 545.301 5.958 5 40 KKBB CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1 139457866 OENHQHLEOONYIE-MZMZTKINSA-N 536.888 12.606 5 40 KKBB in-man CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 150395555 ALARXRHZPJRROL-KUSDHMTMSA-N 637.739 6.134 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1OC 163278481 JUJZINRBCCYJGO-XJNHXSSVSA-N 661.736 5.832 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccccc1 164524320 TXJOXFVXEZIWGC-POKSHJSXSA-N 869.475 6.632 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@@H]1c1ccccc1 164526412 YISMNTBCKMEYIX-MDNSZFDISA-N 681.726 6.216 5 40 KKBB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 224857553 DEWLQMBFMIWRGV-LOSJGSFVSA-N 502.552 5.444 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225067338 RIWGQGQKRGMFLP-WJOKGBTCSA-N 683.614 6.262 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225249813 QEZUJDAPBNJERQ-QFIPXVFZSA-N 506.430 5.700 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260809266 RPMCLFDGLPPLFZ-JOCHJYFZSA-N 691.634 6.280 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 408566648 OHUBQQSZSAXIBZ-STNVRERYSA-N 586.870 5.602 5 40 KKBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408652926 PFLMKHDIJANJTE-DYLUUEMWSA-N 606.034 5.769 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc(OC)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1 408755043 BDPOOHCITIYPJO-IMUCPKNRSA-N 591.645 5.504 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408833262 XFFGHNHPNWKDIG-MIUGUJGPSA-N 600.483 6.794 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 408930326 VLYNQRHNRAQYCT-AFUMVMLFSA-N 687.512 6.469 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409091359 PRFYFGWYTFMLSK-SUAMDDGLSA-N 666.575 5.629 5 40 KKBB CCOc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409101106 VHAKCTDZCPZRQB-UHFFFAOYSA-N 500.502 6.335 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 409105971 LVWPDSGRWLJUAH-BUVRLJJBSA-N 533.562 5.248 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409143046 MRENUQWQSXIBMS-FHQMNNMHSA-N 784.585 5.505 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1 409166226 CEEJIGNSTZDAIC-RGVLZGJSSA-N 558.366 5.301 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1 409274339 WATWMCVTEVHSCZ-MTJSOVHGSA-N 504.524 5.074 5 40 KKBB O=c1cc(Cl)c2cc(Nc3cccc(Cl)c3)c3c(=O)cc(Cl)c4cc(Nc5cccc(Cl)c5)c1c2c43 1919867 WTZQBZUVIDGHKE-UHFFFAOYSA-N 552.244 8.843 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)N1C(=N2)C(O)=Nc2ccccc21 3309831 YGLRXDRDWQYECF-RUZDIDTESA-N 506.566 6.628 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 13302053 WTCSQFIIUQPWLP-IOGDKGLISA-N 507.924 6.963 5 40 KKBB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 15303461 CMJBHWVJOUTOBY-UHFFFAOYSA-N 505.424 5.634 5 40 KKBB CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@H]3c2ccc(OCC)cc2)cc1 97983836 ZELOBQMLMCXUFI-YSRPANPLSA-N 610.711 6.666 5 40 KKBB C[C@H](OC(=O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1)C(=O)Nc1ccc(Cl)cc1Cl 103132674 FSNQCEQXHQLBPV-AWEZNQCLSA-N 578.364 6.039 5 40 KKBB Cc1cccc(C)c1NC(=O)CSCC(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 103892723 YHHKNNOTVRQDAC-UHFFFAOYSA-N 552.703 6.424 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 163707616 MDQNZXWJNVODBL-MFCBUNOESA-N 632.676 5.129 5 40 KKBB CC[C@H](NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 223042653 IAZUVGPITZTZJB-MHZLTWQESA-N 551.665 5.253 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224046251 MTHKNWPQJYQTBA-MGBGTMOVSA-N 707.249 6.235 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224232252 OTGLLJDNDQNDNI-YTTGMZPUSA-N 642.778 5.653 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 224691172 CUVCIYSROWAZRZ-IHLOFXLRSA-N 548.624 7.528 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1Br 224938319 JOMZEDIRYWUOBJ-ZEQRLZLVSA-N 534.439 6.029 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260906816 FIRNDOQKRWHAFB-PMACEKPBSA-N 621.543 5.429 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261098155 VKPHAQOMNVUKDL-QNLPTKCRSA-N 697.641 6.652 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1cccc2ccccc12 408570864 MAUMGGVOIJLSMX-SSEXGKCCSA-N 554.672 7.125 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 408570866 MBPSFLWIGAMKAL-QHCPKHFHSA-N 549.867 7.225 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 408576514 XNXRGJGDURFGLC-XMMPIXPASA-N 511.003 5.927 5 40 KKBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408639828 GEDXZDQLBDDMRO-LJQANCHMSA-N 526.332 5.217 5 40 KKBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)cc1[N+](=O)[O-] 408672806 XCUJXQCNHKGNLV-UHFFFAOYSA-N 547.608 6.284 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(F)cc1 408687958 VJKYILLJRZKKIL-WVZRZZCNSA-N 670.091 5.421 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408722882 HKDRDMCOYZVNMP-RWTNITNYSA-N 584.437 5.273 5 40 KKBB O=C1c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc2ccccc2c1 408757882 RJTUJTAPZLEQHP-UHFFFAOYSA-N 538.357 7.208 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)o1 408943709 LVVOCIPMEDJDCS-ORVZPOCUSA-N 668.522 5.135 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 408981448 HLXFCGMQXXMRJT-GOWBIRFASA-N 737.810 6.154 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408987352 OFXKYMRWNVDCSC-DAIZXWHWSA-N 677.735 5.440 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCC6)cc3[N+](=O)[O-])sc2c1)c1ccccc1 408988314 DFFACHMOKOVJFY-UHFFFAOYSA-N 611.730 7.864 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1 409154445 AXUYCMIKSOCTDO-XKZIYDEJSA-N 556.021 6.083 5 40 KKBB Nc1c(Br)cc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1Br 409182567 MSKGTORQOHXLGW-UHFFFAOYSA-N 522.149 5.851 5 40 KKBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1)OCc1ccccc1 2058501 RYQIYIRAXRNESA-QFIPXVFZSA-N 581.448 5.957 5 40 KKBB COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccc6c(c5)CCC6)cc([N+](=O)[O-])c4)cc3n2)cc1 2192875 OSMNHLOHGSRGKG-UHFFFAOYSA-N 589.530 6.865 5 40 KKBB Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cc(Oc2ccc3oc4c(c3c2)CCCC4)cc([N+](=O)[O-])c1 2197927 XWLUPYYUVLFEMR-UHFFFAOYSA-N 514.460 6.175 5 40 KKBB Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c12 3302968 ILQSVGPLSXRCIT-UHFFFAOYSA-N 528.546 5.589 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl 8901965 XSLBEFKCCNJNNM-UHFFFAOYSA-N 505.383 5.178 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OCC)cc2)cc1 25501695 NCYAPHHETCAVGP-MPZKTUSKSA-N 525.605 6.829 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccc(F)c(Cl)c6)o5)nc34)c12 98046182 MOFPUBWZBHYYGT-UHFFFAOYSA-N 515.904 6.765 5 40 KKBB COCc1cc(C)nc2sc(-c3conc3-c3ccc(OC)cc3)c(NC(=O)c3ccc([N+](=O)[O-])cc3)c12 100240676 DEMUQJNZVJIQTR-UHFFFAOYSA-N 530.562 6.242 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 100360560 PPPBNYAUBKDZCM-WSDLNYQXSA-N 543.370 6.312 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 101938421 CFYZFQWHDUANSE-USDTVRPUSA-N 599.590 6.506 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(-c2ccc(Br)cc2)o1 107927686 PAVLOZQXZVGGLQ-UHFFFAOYSA-N 598.523 5.445 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(F)cc1 111469634 GPICSLXGOOLDCY-OINPTKSXSA-N 609.635 5.551 5 40 KKBB O=C(CNC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1[N+](=O)[O-] 150383137 QDOKWHGDGVYEDL-UMSFTDKQSA-N 689.790 6.775 5 40 KKBB O=C(N[C@H](Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 150383436 MSQPBOAVAXPHPV-WJOKGBTCSA-N 734.630 5.934 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c2=O)=N1 163468869 YZXFJEAETYREDI-HRDPZVOISA-N 689.790 6.983 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223156585 QCVPHBFZLZVVKS-YTTGMZPUSA-N 693.222 5.845 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 224691030 NGSNKJBWVYTDFX-XZWHSSHBSA-N 548.624 7.528 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225014806 ANKKYCMMVNCFHW-HKBQPEDESA-N 693.620 5.717 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225179921 UIXPJTDFMIZOLS-SANMLTNESA-N 645.178 5.403 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 225381694 DBHCJQIQGWBFNA-WDYNHAJCSA-N 556.644 6.757 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1cccc2ccccc12 225716472 WSKQHBQUTQBXDV-IHLOFXLRSA-N 563.639 6.404 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)c1 248125846 HJDDQLIAYWPZHU-YRAGKPRHSA-N 571.589 5.585 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733366 HNISRWBJWIZXMY-YVBHXKDBSA-N 639.642 5.233 5 40 KKBB Cc1nn(-c2ccccc2)c(O)c1C(c1c(C)nn(-c2ccccc2)c1O)[C@@H]1C=CC=C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 408737802 XSJUQGXPLKDHTM-VSGBNLITSA-N 603.635 6.094 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccc(Br)cc5[N+](=O)[O-])o4)c(=O)n31)c1ccccc1CC2 408758249 XIXRUCMNBRCHAH-OBDCIHEFSA-N 640.515 6.258 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408936290 HOLWNSPARSKTAU-VPHSIRQSSA-N 727.033 6.489 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409030047 BXHKYRKGZFAMGP-RIFKOAFWSA-N 813.667 6.085 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409050420 VNFZTCSEIKTUHJ-ZTZDSMJYSA-N 835.513 6.305 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1 409076977 CUSWRZLVNSKYEP-AOFXREQWSA-N 632.698 5.370 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409102676 VWCXHLOXRCGXGZ-QTTRZTASSA-N 591.089 5.234 5 40 KKBB O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccccc4S(=O)(=O)N3Cc3ccccc3)cc2)cc1 409130623 INIRELQXMZFUKY-MHZLTWQESA-N 501.564 5.489 5 40 KKBB CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 409162093 COXJQFWPTDJOHJ-XQNWCSQWSA-N 587.654 5.064 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1 409168243 LVSLVBWJUUIMTQ-WSDLNYQXSA-N 534.506 5.279 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1 409182006 HLDFFYCYVIEAQN-FQEVSTJZSA-N 519.691 5.700 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409194053 MWBFBMPZTHHCDQ-MRWVFDTMSA-N 759.266 6.298 5 40 KKBB Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 409204141 CBFDWCLCFCWKMW-YCNYHXFESA-N 526.017 7.390 5 40 KKBB Cc1cccc(Oc2cc(NC(=O)C(=O)Nc3cc(Oc4cccc(C)c4)cc([N+](=O)[O-])c3)cc([N+](=O)[O-])c2)c1 2843043 UPEHWMZRJDRKNC-UHFFFAOYSA-N 542.504 6.282 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)SC(c1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccccc12 8443923 NINWTFVGAXOBQD-LJAQVGFWSA-N 681.431 8.425 5 40 KKBB CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@]2(CCC(c3ccc(C(C)C)cc3)=NN2c2ccccc2)S1 13785492 MKNSIIRBWFEISX-MUUNZHRXSA-N 513.623 6.532 5 40 KKBB COc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)ccc1OCc1cccc(Cl)c1 100912653 SRBGMCBGEUXJBO-AKFKNWHVSA-N 610.069 5.381 5 40 KKBB Cc1cc(C)cc(N2C(=O)[C@H](C)S[C@@]23C(=O)N(CN2CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC2)c2ccccc23)c1 101514936 MEPMRLKYLAPBKL-JRPXNJEYSA-N 625.673 5.678 5 40 KKBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 102439947 ALPBRAWMIUYVDR-VGBJTSDXSA-N 559.553 5.590 5 40 KKBB O=C(NC[C@H]1CC[C@H](C(=O)Oc2cc3oc(=O)c4ccccc4c3cc2Cl)CC1)OCc1ccccc1 102674660 OXGJSBZGEIJDSO-PUZFROQSSA-N 519.981 6.238 5 40 KKBB O=C(/C=C/c1ccc(Cl)cc1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 102969622 HCBIWLTWSUYYOV-JJVZBQFHSA-N 542.979 6.993 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 103558443 KAMVSGGANDFDTA-LWSSLDFYSA-N 567.907 5.540 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 150394686 MJVAXSQFHLJMMC-OINPTKSXSA-N 642.089 5.766 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)c(Cl)c1 214770850 XRFHRWZYJDZVGI-ZVBGSRNCSA-N 648.240 8.712 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222669721 KJQHOXHQCDODJR-SSEXGKCCSA-N 744.064 5.909 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224502658 IZNLVIWSOCHJME-HKBQPEDESA-N 683.614 6.263 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(F)cc4Br)o3)cc2)cc1 224788873 CCUFLJUZAFXSKW-URLMMPGGSA-N 647.551 8.480 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224894892 RYZLFJHHWFRQLB-MHZLTWQESA-N 675.204 5.349 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224932193 FJVXJILIVSWHCY-SANMLTNESA-N 523.630 5.132 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225450312 HWTUNXZSIKJWNM-LJAQVGFWSA-N 701.640 5.221 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 225583173 CMBWYFNWTGWVEU-RRPNLBNLSA-N 527.606 5.560 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261036970 YBAOQELAALHHNW-PMACEKPBSA-N 700.041 6.399 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261108934 XJULNXOEOXEZHM-JKFCTSDTSA-N 737.275 6.324 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408565167 IKPQXBKVAKGTJZ-FUFVFOGCSA-N 528.392 5.149 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(F)cc1 408566005 DNPWXDOJETUZOR-RUZDIDTESA-N 601.498 6.874 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)cc1 408572150 QRVSWWWKLCQGQP-RUZDIDTESA-N 525.030 6.317 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1Cl 408689018 XOXVBPPZYBKWBO-WVZRZZCNSA-N 720.991 6.588 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408760885 AQQQWDGGTRQDNV-JREUYWDSSA-N 721.788 5.839 5 40 KKBB COc1cc(C2=N/C(=C/c3ccccc3OC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)C(=O)O2)cc(OC)c1OC 408846550 SWGCTJNQEFLOQU-VCHYOVAHSA-N 594.985 6.052 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)Nc1ccc(F)cc1 408883048 QELXCZWLDXISME-UUYOSTAYSA-N 633.395 5.593 5 40 KKBB COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408932062 SOYUQVUTVZSLBG-FBHDLOMBSA-N 572.799 5.691 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1 408983767 HQPLQYANIUIKDA-LLXISZFLSA-N 652.128 6.076 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409029700 AKGSLUOCAAHBLI-JESJEVRBSA-N 636.726 5.055 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CCOc1ccccc1 409054874 WCWWPAIXONTZGT-HAHDFKILSA-N 555.406 6.052 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409135264 UCTALKRQIIGONV-MFKUBSTISA-N 583.460 6.614 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1C 409156200 QZLNAWYQPQXAEZ-ZVHZXABRSA-N 517.563 5.466 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 409174278 QPUWHSBQCSUBAL-KXANFNGZSA-N 620.636 6.923 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409191723 LODDBNYSQCLFIR-KCQXITDRSA-N 802.516 6.721 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409192433 XJTVXHIAUMLFCG-GSASKQFNSA-N 783.719 7.580 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409380084 HFPPFYVUFOUUPN-HMAPJEAMSA-N 560.028 5.275 5 40 KKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 3304938 VUNFFXUJTZIZJT-QGZVFWFLSA-N 502.301 6.788 5 40 KKBB COc1cc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 3333930 IXOKPPAHKVXYTD-UHFFFAOYSA-N 512.946 5.643 5 40 KKBB C[C@@H](Sc1nnc(CNc2ccccc2Cl)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 6177395 FOOMBHODKNMLIP-MRXNPFEDSA-N 508.991 5.560 5 40 KKBB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3cc(Br)ccc3n2)cc1 8450841 JQZRISHCYLVCLA-UHFFFAOYSA-N 531.410 5.843 5 40 KKBB CC(C)(C)c1cc(C(=O)NCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc(C(C)(C)C)c1 10040885 KBJGSNAWCOOHLA-UHFFFAOYSA-N 518.610 6.455 5 40 KKBB CSCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 44670685 HRELTWISDRPGBX-CYBMUJFWSA-N 531.468 5.577 5 40 KKBB COc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(OC)c1OC 59609147 PCHURLWFAPCIFN-PMERELPUSA-N 539.588 5.982 5 40 KKBB Cc1ccc(N2C(=O)N(c3ccc(C)cc3)C(=O)C3(Cc4cc([N+](=O)[O-])ccc4N4CCN(c5ccccc5)C[C@@H]43)C2=O)cc1 97956982 NJNHXZNWJDRKPE-WJOKGBTCSA-N 601.663 5.649 5 40 KKBB Cc1ccc(C(C)C)c(Oc2cc(NC(=O)c3nn4c(c3Br)N[C@@H](c3cccs3)C[C@H]4C(F)(F)F)cc([N+](=O)[O-])c2)c1 97999638 LSUWMYCXWOUUCL-OFNKIYASSA-N 664.504 8.752 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc(F)cc1 100339499 NQONIKUBZAPVGP-WSDLNYQXSA-N 573.396 6.321 5 40 KKBB O=C(COC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 100349730 WAHNDLBRLLOEJI-UHFFFAOYSA-N 609.956 7.048 5 40 KKBB O=[N+]([O-])c1cccc(C2=CSC3=NC4=C(CCC/C4=C\c4ccc(Cl)cc4)[C@H](c4ccc(Cl)cc4)N23)c1 100820779 LOARZKMMQFPHFV-HACONHBVSA-N 546.479 8.881 5 40 KKBB CC(c1ccccc1)(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 102577758 BACUEXAYEZZPAL-UHFFFAOYSA-N 586.604 7.362 5 40 KKBB O=C(O)[C@H]1[C@@]23c4c5cc6cc7cc8c9c%10c%11c%12c(c4c6c%12c79)[C@H]4c6c-%11c7c-%10c(cc9c7c7c(cc(c(c67)[C@]412)C[C@H]3C=5)C9)C8 103556146 ZADJNWVKEGRDBR-NGWBCULRSA-N 540.577 7.285 5 40 KKBB Cc1ccc(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)c(Cl)c2)cc1[N+](=O)[O-] 104911554 JQQKLIXYLKPVFW-UHFFFAOYSA-N 540.876 5.831 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(NC(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)NC(=O)c2ccccc2)cc1 150483342 VOKVDLLSRZKBLG-GTWSWNCMSA-N 711.594 8.066 5 40 KKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(I)cc1 215179051 IHPBGBAAQDJBQV-YBFXNURJSA-N 532.315 5.696 5 40 KKBB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 225678628 NEFHUFQBBSKKPC-KAYWLYCHSA-N 543.605 5.260 5 40 KKBB O=[N+]([O-])c1cccc(NCc2cc(Br)cc(Br)c2OCc2ccc(F)cc2)c1 408555541 HDLHPNBGJLFNOM-UHFFFAOYSA-N 510.157 6.450 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)cc1 408570873 MDQGRFVTAMULHW-DEOSSOPVSA-N 557.445 6.475 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 408571068 NFSGXCIJQOJHIB-SANMLTNESA-N 573.502 7.279 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408644319 QXYGOPKGDQZTKS-FTJBHMTQSA-N 573.989 5.622 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408646993 JEAUJLIMKIUXTD-RAWLKHAVSA-N 626.452 6.034 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730916 VTXNYMXYBUWSFL-SUAMDDGLSA-N 557.628 5.090 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730964 XBUCOYOALUIDNC-PRLWALMFSA-N 626.603 5.135 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1)c1ccc(C2CCCCC2)cc1 408750738 RDBCOAXPEHWHQY-UHFFFAOYSA-N 557.653 7.028 5 40 KKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)o1 408839946 DMNFAAZBHTVFRF-ITNPZBTBSA-N 579.609 5.635 5 40 KKBB COCCCN1C(=O)c2cccc3c(Nc4ccc(Br)c(C)c4C)c([N+](=O)[O-])cc(c23)C1=O 409001885 XJNARCBEXXTRJM-UHFFFAOYSA-N 512.360 5.503 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c2=O)=N1 409035759 UBFGHBFOAMJLRZ-UQDCTOEPSA-N 638.098 5.417 5 40 KKBB Cc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1Cl 409114456 JRPVDINNCHXSMU-UHFFFAOYSA-N 540.639 7.273 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409192572 CJZAJZQZIDZRMB-HRIDGTDGSA-N 796.125 6.561 5 40 KKBB CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O 409196655 QVTOFUFDQXGSPI-FYJGNVAPSA-N 593.452 5.715 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409207079 OJBGZPGSVFOSCL-JMIUGGIZSA-N 619.837 5.882 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409222088 ATOIYDUFOJBJSY-FOKLQQMPSA-N 614.386 5.986 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409229915 VYZWRNOWQWSTKP-LICLKQGHSA-N 556.232 6.145 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)cc1 409232550 QZLBENGQRICNQF-AFUMVMLFSA-N 542.573 5.281 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1Cl 409259089 XIFQRBPCLAHERA-LSFURLLWSA-N 686.846 7.505 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409259453 ZQUYJGBRKIAMHA-WYMPLXKRSA-N 606.962 7.377 5 40 KKBB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 409320124 PELQRZZFOLBUEX-UHFFFAOYSA-N 531.590 5.560 5 40 KKBB COc1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cc1Cl 3364811 OLGXMNLSLHEEOJ-MHZLTWQESA-N 579.392 6.678 5 40 KKBB CCCCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 13659835 WNUSWKUQRMNRRP-QKDODKLFSA-N 515.566 5.605 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274719 PRFZPUCNKDISQI-UHFFFAOYSA-N 503.609 5.599 5 40 KKBB COc1ccc(-c2csc(/C=C/c3ccc(Oc4ccc(C(C)(C)C)cc4)c([N+](=O)[O-])c3)n2)cc1OC 14356988 AUAXSHWAHJDDOS-VIZOYTHASA-N 516.619 7.996 5 40 KKBB CC[N+](CCCCCCCCCC[N+](CC)(c1ccccn1)c1ccccn1)(c1ccccn1)c1ccccn1 31924640 VLKVQOAOVKGHMH-UHFFFAOYSA-N 538.784 8.405 5 40 KKBB CCCCOc1ccc(-c2cc(C(=O)OCCNc3ccc4nonc4c3[N+](=O)[O-])c3ccccc3n2)cc1 97945456 DHEXTTQZJDMDQD-UHFFFAOYSA-N 527.537 5.794 5 40 KKBB O=C(Nc1ccc(C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1 102577562 XYHQVSKOKYRVEX-UHFFFAOYSA-N 544.907 5.892 5 40 KKBB COc1ccc(Oc2ccc(/C=C(/c3nc4ccccc4[nH]3)c3nc4ccccc4s3)cc2[N+](=O)[O-])cc1 102989396 OMNOYPJDZHTPCQ-PGMHBOJBSA-N 520.570 7.471 5 40 KKBB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1Br 103053778 JKOOYBMGAFWSDM-UHFFFAOYSA-N 592.777 5.864 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1ccc(-c2ccccc2)cc1 103629481 DGCNIDAURVSGFK-WWIWEHRJSA-N 554.606 5.282 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 105249281 QKNYSELPIBKUSC-UHFFFAOYSA-N 524.832 6.734 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 107638012 DLDMNNQMQZIHAF-YRNVUSSQSA-N 614.555 6.388 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 150463894 MZWBPUFVXPHMGJ-NHDPSOOVSA-N 638.721 7.589 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223534340 YMALEXHMFSLGBB-IBGZPJMESA-N 526.417 5.011 5 40 KKBB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224160341 LUIFKHNLWGQNPB-RUZDIDTESA-N 631.151 5.012 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 225556390 HNOVCIIFCOQVOE-VSGBNLITSA-N 540.649 5.344 5 40 KKBB CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)O[C@H](C)c1cc(OC)c(OC)cc1[N+](=O)[O-] 256072764 LIKGQASPYMHUMB-UMDFDPAUSA-N 513.675 8.362 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C(=O)O)o2)c1 408634219 SGPLJMNVTOONCN-MTJSOVHGSA-N 509.496 5.448 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)c1 408672309 VLCMXNHVZTVLHQ-UHFFFAOYSA-N 562.362 5.603 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408686232 QZZHDVNCPHVJNL-QYVZARNFSA-N 547.542 5.184 5 40 KKBB COc1ccc([C@@H]2C=C3c4c(ccc5ccccc45)OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]32)cc1 408732248 PYZJUSTVFVXUJI-BQVIPMCUSA-N 580.980 5.932 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OCC 408738455 KZODDEMNZFRJSA-LMSRTUJASA-N 594.045 5.019 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408769774 OSNWOKVPNQFZMF-BHFPBWTASA-N 773.456 5.828 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(C(=O)OCC)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 408828281 DIMYSFYQFAJFKC-PRLWALMFSA-N 741.016 5.878 5 40 KKBB O=C1S/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916971 JUCWRFLLHWDIFG-SRZZPIQSSA-N 716.266 6.759 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)ccc1Cl 409159214 VITCWYFKNQLSDY-BRJLIKDPSA-N 756.937 8.454 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1cccs1 409276263 ZQVOOASMQGJCAJ-HMXFMCBNSA-N 614.749 5.142 5 40 KKBB CCOc1ccc(Oc2cc(Oc3ccc(NC(=O)c4cc(-c5ccccc5)nc5ccccc45)cc3)cc([N+](=O)[O-])c2)cc1 2070191 WSJKVQXVXHSWAE-UHFFFAOYSA-N 597.627 9.046 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@H](c1ccc(Cl)cc1Cl)N1C(=N2)C(O)=Nc2ccccc21 2365441 IEJOTKQXKICDEZ-QFIPXVFZSA-N 519.348 6.637 5 40 KKBB O=C(Nc1ccc(C(OC(=O)c2cccc([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)cc1)c1ccncc1 3180102 WYGPVGDHYAXETG-UHFFFAOYSA-N 513.350 5.419 5 40 KKBB COc1ccc(Nc2nc(/C=C/c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c(Nc3ccc(OC)cc3)n2)cc1 6136726 PLZUMLLQEFPJJH-GIDUJCDVSA-N 514.498 5.968 5 40 KKBB O=C1Oc2c(cc3c4c2CCCN4CCC3)[P@@](=Nc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)N1c1ccc(Cl)c(Cl)c1 97984320 HQIASFGTDDPKDK-HUESYALOSA-N 628.453 6.940 5 40 KKBB COc1ccc(-c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)cc1COc1cccc(Cl)c1Cl 98046152 VWMOHEQYQBBIPZ-UHFFFAOYSA-N 536.444 7.065 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 100097692 VKTGCJVCOJANOJ-JOCHJYFZSA-N 520.895 6.087 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)c4ccc(C(=O)OCC(=O)c5ccc([N+](=O)[O-])cc5)cc4C3=O)cc2)c1 100744568 OXXSYYATNUWHRB-UHFFFAOYSA-N 578.577 6.659 5 40 KKBB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 100926709 ACTTVKYFPXTCSY-HWUWQJTLSA-N 526.976 5.964 5 40 KKBB CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(O)=C2[C@H]1c1cccc([N+](=O)[O-])c1 101648377 DDISXWZZZYTVPI-SLGOVJDISA-N 537.660 8.098 5 40 KKBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(-c2cnc(-c3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3)nc2)cc1 102507664 YZHGAFMAWLVHNR-UHFFFAOYSA-N 612.514 5.228 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 103790348 INIFXUCWWRTAOC-UNDLXJOSSA-N 597.693 5.409 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)cc2[N+](=O)[O-])CC1 105222559 RPJVJGKTZCKURE-UHFFFAOYSA-N 527.408 6.643 5 40 KKBB Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3C)oc2cc1C 105307909 RESVWYVFMXFYHM-UHFFFAOYSA-N 529.622 6.055 5 40 KKBB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105308119 FLBTVMZKMZSKOB-UHFFFAOYSA-N 528.590 5.404 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 105318720 NDSRRHRRXXBNJR-UHFFFAOYSA-N 585.942 5.397 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)c1 150393809 IOXTVMNWZOKZBI-ZTJHJZSNSA-N 661.523 6.358 5 40 KKBB COc1cc([C@@H]2c3c(C)nn(-c4ccc(S(=O)(=O)c5ccc(C(C)C)cc5)cc4)c3N=C3C(O)=Nc4ccccc4N32)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 150482793 ZHWWFMUSRAUIRN-KXQOOQHDSA-N 818.890 8.063 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 164534393 NLDQYMSXPQRGMN-JOHYPREOSA-N 726.605 6.194 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1cccc2ccccc12 214863443 PRYDNHXCGFMYHY-AFUMVMLFSA-N 527.514 6.685 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224302217 SLZBVFMQKMSRLT-GDLZYMKVSA-N 657.189 5.627 5 40 KKBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C 224768975 GIXGKFVBWXDRAQ-HHHXNRCGSA-N 519.667 5.301 5 40 KKBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 225272323 VDRBMCUDTFQSMY-LJAQVGFWSA-N 513.638 5.535 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260901198 AHCSQCGPRDYJOC-JOCHJYFZSA-N 675.602 5.059 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 408573467 SYQCTJCDYFDCKX-AREMUKBSSA-N 589.501 6.979 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 408576150 XKADSZPGXYRVOI-JFDTUHHPSA-N 577.262 5.903 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 408576725 YFBWPTQAZJOAIN-RUZDIDTESA-N 543.020 6.456 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)O)n[nH]1 408631214 GGIQFHQREGRPSV-GRSHGNNSSA-N 533.349 6.173 5 40 KKBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408650736 BKKGDFRGMKHSSW-HCQOHPDYSA-N 708.165 5.813 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O)Nc1ccccc1F 408935835 ODLRPLCTFBLIQK-YSMPRRRNSA-N 557.559 6.141 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 408999415 KVQMNTZSKWLFLP-WGJPBTIMSA-N 661.692 5.072 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409030737 HPJPQNPSSAWKPR-AMQCUNCASA-N 687.771 5.480 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)c2=O)=N1 409039721 RXWQQPVRVKPXMK-QJWUKVPRSA-N 584.437 5.273 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 409077304 DNBHYLVTIUMNRA-HRIDGTDGSA-N 627.078 5.704 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409094098 CTMYXDSMYOKWBU-NULZLWRNSA-N 696.023 6.007 5 40 KKBB C[C@@H](NC(=O)COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)c1ccccc1 409122529 ZESUXNVSSHIRTC-ZTUXGFDNSA-N 626.713 7.212 5 40 KKBB COc1cccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)c1OC 409133642 LYDWMVREBPRXJD-LJAQVGFWSA-N 509.562 5.973 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409137339 VUFYBLHTBUHWOI-XDHOZWIPSA-N 537.388 5.018 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409197917 RWGZJOVVFBIIAD-OVVQPSECSA-N 681.565 5.720 5 40 KKBB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409271180 JSIDSIVKWRDXFT-RPPGKUMJSA-N 532.618 5.990 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 409333666 KZWLEIYZOVPDMS-ZJTZAHLKSA-N 694.947 6.642 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409365292 XUXIKPRCKXEBFL-FHQMNNMHSA-N 678.561 5.365 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nnc2-c2cc(Br)ccc2O)c(C)c1 409412303 HFZGNBRAJTWLGM-UHFFFAOYSA-N 554.426 5.658 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1 877650 UGKRKZOICOQALG-UHFFFAOYSA-N 508.991 5.480 5 40 KKBB Brc1ccc(-c2oc3c4ccccc4c4ccccc4c3c2-c2ccc(Br)cc2)cc1 1715114 YNZAZIXWRVYBNF-UHFFFAOYSA-N 528.243 9.598 5 40 KKBB CCCCc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 19856201 DQMCGPSQAAHQEQ-UHFFFAOYSA-N 511.600 5.088 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(-c4cc5ccccc5oc4=O)c(Cl)c3)cc2[N+](=O)[O-])CC1 21595969 RKLPLYOULWCBJD-UHFFFAOYSA-N 517.969 6.510 5 40 KKBB Cc1ccccc1NC(=O)CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5 97952647 BDJHUNNZHMKESX-UHFFFAOYSA-N 522.659 6.082 5 40 KKBB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2)Nc1ccccc1[N+](=O)[O-] 97979720 IOXQXGFEBUUAMU-AQTBWJFISA-N 523.501 5.154 5 40 KKBB C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@@]34C)[C@@H]2[C@@H]1C 104131418 ZVZUAPRVZSTVHG-SUTFIRSZSA-N 620.831 9.706 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 104659602 OWTBUHQEYPJGAP-RZCKFYKVSA-N 615.711 6.205 5 40 KKBB O=C(NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307985 YWRTZFAYYHHQCV-UHFFFAOYSA-N 558.447 5.881 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105308094 MKEJVGPDUZUVOX-UHFFFAOYSA-N 556.431 6.437 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)cc1 105314908 PKVXGWLGLZXCAT-UHFFFAOYSA-N 561.664 5.108 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccccc3[N+](=O)[O-])C2=O)cc1 106704293 UWJFGFQGBVBILW-QRVIBDJDSA-N 539.407 6.481 5 40 KKBB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112230747 LBYISCXLWCWWRK-UHFFFAOYSA-N 533.635 5.143 5 40 KKBB CCOC(=O)[C@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])c(C)c2c1Nc1c(c(C)c3oc(=O)c(C)nc3c1C(=O)N[C@H](CC(C)C)C(=O)OCC)O2 150382660 XOGADTAGGCEDNQ-FCHUYYIVSA-N 709.753 5.286 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)o1 150397195 IGJCPYTUZRIHIE-HZHHUVPKSA-N 634.714 6.174 5 40 KKBB COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc(OC)c1OC 150484683 QZOKCCQWDLRLBL-ZSWKDXAVSA-N 682.711 5.454 5 40 KKBB O=c1/c(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 150506910 FXMNXLWOKSORKO-OIUASMPBSA-N 841.440 7.154 5 40 KKBB O=C(NC(=S)Nc1ccc(I)cc1-c1nc2ccccc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 150640414 UYINRPZGGYMEGE-UHFFFAOYSA-N 626.457 6.863 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 163780736 BUTKGICFVXGRIY-HAWPWTPLSA-N 631.710 5.823 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214909926 DKOUKDPBHMDYJX-SSDVNMTOSA-N 586.376 6.303 5 40 KKBB O=C1[C@H]2C[C@H]3[C@@H](C[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(Cl)C(Cl)=C(Cl)[C@]3(Cl)C1(Cl)Cl 217420923 FOKXNSDHYMSFQJ-KCINNPRZSA-N 545.033 5.572 5 40 KKBB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1OC 225309704 PMZDLVUYGJUXKB-KAYWLYCHSA-N 559.604 5.020 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)o1 225601994 LGTQMFSODNUSPQ-SVBPBHIXSA-N 561.595 5.399 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(F)cc1 225604039 DBGLXARVGREVRO-UIOOFZCWSA-N 531.569 5.390 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccc(C)cc1 408566044 DPPSJVZVHRTQBC-HHHXNRCGSA-N 518.639 6.280 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1cccc(F)c1 408575987 XDEPZIAXLPNOGH-AREMUKBSSA-N 538.601 5.811 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408650210 ZWQSHSWNZRGYJD-UHFFFAOYSA-N 618.385 5.657 5 40 KKBB CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 408663528 ADEJUIXPYSCEHB-UHFFFAOYSA-N 519.554 5.585 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408835966 OSBMQTJFOKYQNY-FQKMCRJQSA-N 682.980 6.010 5 40 KKBB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408933209 ILEGOBWPFGMUHW-UUYOSTAYSA-N 542.375 5.972 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408945113 WSCNISDVTGGPQS-SZYVSPPHSA-N 774.033 6.331 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 408981449 HLXFCGMQXXMRJT-VCDQAHEJSA-N 737.810 6.154 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408992070 QHXOUXAXHIIIND-NIQJEMAJSA-N 639.136 5.714 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409036890 RVCYKZLERLPYNW-UAMLYEQYSA-N 692.588 5.837 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409095539 HZKWCAHZQPKXOY-OCEWKHMESA-N 696.605 5.199 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409177750 COYFUZOQXMGCJH-AREMUKBSSA-N 535.961 5.862 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O 409272992 OYAFPIVEYJAXBW-FSJBWODESA-N 537.981 5.811 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409275826 XGTHBIWUWNGTJQ-KEBDBYFISA-N 503.319 6.081 5 40 KKBB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c3ccccc3n2)cc1 1784287 SNZNLVATRSRBBO-UHFFFAOYSA-N 534.524 6.651 5 40 KKBB O=[N+]([O-])c1ccc2nonc2c1Nc1ccc(Cc2ccc(Nc3c([N+](=O)[O-])ccc4nonc34)cc2)cc1 4013423 QYHIFYCXRCTSCM-UHFFFAOYSA-N 524.453 5.653 5 40 KKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4ccc([N+](=O)[O-])cc4)CCC[C@@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)n1 8455431 IDZVZPIAZPZAGG-ABPFDORLSA-N 545.512 5.064 5 40 KKBB COc1ccccc1OCc1cccc(-c2nc3c4sc5nc(C(F)F)cc(C)c5c4ncn3n2)c1 13644198 QKDNBRDZIPWRTN-UHFFFAOYSA-N 503.534 6.388 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cc(Cl)cc(Cl)c2)cc1 19855862 ONNJKECWZLJCHA-UHFFFAOYSA-N 508.383 5.352 5 40 KKBB Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 33863257 QDGKSUSUKDLNCZ-UCQKPKSFSA-N 503.536 5.157 5 40 KKBB Cn1cnnc1Sc1ccc([C@H]2NC[C@H](c3ccc(Cl)cc3Cl)c3c2[nH]c2ccccc32)cc1[N+](=O)[O-] 53356854 AVDHCTSNRUJZTD-HOYKHHGWSA-N 551.459 6.487 5 40 KKBB COc1cc(NC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)cc(OC)c1 70708132 QMMLJPVZKHJOBC-INIZCTEOSA-N 553.571 5.032 5 40 KKBB biogenic O=[N+]([O-])c1ccc(CSc2nnc(-c3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)n2-c2cccc(C(F)(F)F)c2)cc1 96022143 VEOQDMHLAWSZIZ-UHFFFAOYSA-N 646.072 7.608 5 40 KKBB CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 101589851 XIRUWOOZGAGXCD-IZJWOVIGSA-N 599.599 5.502 5 40 KKBB COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 102896314 LBNYTRPIGAZBEM-NLDZOOGBSA-N 579.565 5.182 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccccc1Cl)[C@@]21C(=O)Nc2ccccc21 103548673 NWWPPZXHZYEGEJ-IANDGLOUSA-N 590.035 6.494 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 103753070 MOUGHVRJXZBATJ-ZHGFHMGHSA-N 607.644 5.112 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(Cl)c([N+](=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1 104656759 LTXLKMVGLWEISR-UAMLYEQYSA-N 596.064 6.149 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1c(Cl)cccc1Cl 106712629 WWXQAWVXOIXDEJ-MSXFZWOLSA-N 538.412 7.141 5 40 KKBB O=C(Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1)c1ccccc1I 106740557 VNOJWROWLUHLHS-BKUYFWCQSA-N 586.363 5.655 5 40 KKBB O=C1S/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106743346 NLHXPBJLHAGGEM-NHDPSOOVSA-N 545.451 6.551 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223642501 DVZCMILBCXBLQJ-IBVKSMDESA-N 554.043 5.190 5 40 KKBB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 224938476 IYFXUDAHRBQKNT-UHFFFAOYSA-N 551.024 5.453 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)cc1 408575094 WAFDVWUUCXXQBH-RUZDIDTESA-N 508.575 5.803 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408639153 VONASHDFZJKZMX-MHZLTWQESA-N 628.637 7.625 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408640733 IMZIQRWFELWBRW-ZBWOKKAISA-N 686.546 5.935 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1 408686260 RFLIQLOSWSMONU-ZBWOKKAISA-N 686.546 5.935 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4Br)C(=O)[C@H]23)cc1 408728808 UOFRDCXSWDFWCC-BMPBIMJCSA-N 741.594 7.563 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408827771 MQJNGFYMORLEMY-KEPJHFNWSA-N 667.662 6.305 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 408853070 YJQYIFKWTLUMBF-HVDVVURSSA-N 620.687 5.749 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1 409076979 CUSWRZLVNSKYEP-FATJQOLTSA-N 632.698 5.370 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)cc1 409100013 PEXBQLABPGSBTL-ZVHZXABRSA-N 659.458 5.852 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1 409104757 HYPDXORKLMWWFZ-KKGHXWGNSA-N 697.795 5.604 5 40 KKBB O=C(COC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409174776 VAIOUJFSMDNQIP-UHFFFAOYSA-N 530.920 6.333 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 409194109 MWYVVSVDJXZIHA-CIAFOILYSA-N 545.798 6.831 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409266557 ZXRPYRKHOZNONL-SSDVNMTOSA-N 650.276 6.757 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1[N+](=O)[O-] 409269442 JQINLFJJPJUNAZ-CIAFOILYSA-N 530.967 5.565 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(C)c4C)C3=O)o2)c([N+](=O)[O-])c1 409273769 SIMREFNOVVYKES-WSDLNYQXSA-N 507.524 5.155 5 40 KKBB Cc1ccc(C(C)C)c(Oc2cc(NC(=O)Cn3nc([N+](=O)[O-])c(Br)c3C)cc([N+](=O)[O-])c2)c1 1303174 GVTXOALWAZECAX-UHFFFAOYSA-N 532.351 5.633 5 40 KKBB Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c2)CC1 9720457 CEOFYMDDTTVLJV-JZNYMIQASA-N 502.659 5.882 5 40 KKBB Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1cc2ccccc2o1 9972137 FCESCMOSXJDKQG-NTCAYCPXSA-N 507.502 6.814 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1[N+](=O)[O-] 16611111 MWMIAUOOJBAPOJ-MRXNPFEDSA-N 518.595 6.442 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 96022737 CSEVLRDDKRAYBV-IXXPZIILSA-N 612.599 5.685 5 40 KKBB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1[N+](=O)[O-] 98047042 SOJBZAMFAGOKRP-HNVAQCFTSA-N 679.755 5.355 5 40 KKBB CCCc1ccc(C(=O)N2c3ccccc3[C@@H](N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)C[C@@H]2C)cc1 100112664 OIAHKRFFTUUJSB-MWMGDWSCSA-N 559.666 7.774 5 40 KKBB O=C(CSc1nc(-c2ccccc2Cl)nn1C(=O)c1ccco1)Nc1ccc([N+](=O)[O-])c(Cl)c1 100568289 GZQCMGYFAJMACJ-UHFFFAOYSA-N 518.338 5.172 5 40 KKBB COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC 101408110 XBCKJXJJUQENJG-ISDSVPPZSA-N 557.603 6.066 5 40 KKBB CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(O)=C2[C@H]1c1cccc([N+](=O)[O-])c1 102641103 JVQPQRRIROLYSC-JPZYQRIQSA-N 527.596 7.864 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N(C)C(c1ccc(F)cc1)=N2 102940947 YLYGPRGXERVGBN-FAIXQHPJSA-N 559.542 5.572 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc(Cl)cc6[N+](=O)[O-])o5)c(=O)n42)c2ccccc2CC3)cc1 104656890 BAMXCIKYWZRULB-ITNPZBTBSA-N 596.064 6.149 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105322172 BFECPEODIJMFNU-UHFFFAOYSA-N 540.045 5.125 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1 106711248 LXLNCKCPNXMDPS-XKZIYDEJSA-N 568.405 5.611 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106725073 FJCCUIHSBHMLNM-DICXZTSXSA-N 590.635 6.069 5 40 KKBB COc1ccc(Br)cc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1cccc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 150484949 VGURGTWPCRZLPX-USDTVRPUSA-N 701.555 6.200 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c2=O)=N1 163460533 URMWENVTZSDBTN-MQEBXPQWSA-N 736.894 8.735 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214209306 HQYXRDJPIOFMLB-ZVHZXABRSA-N 508.527 5.948 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 223817796 FHKHTXIBGXPKKZ-QFIPXVFZSA-N 643.162 5.237 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(Cl)cc4)o3)cc2)cc1 224786132 QEISKDDGZXMSOJ-URLMMPGGSA-N 585.110 8.232 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)CC1 225004046 SNIUOVKOLSUWQL-URLMMPGGSA-N 574.106 7.317 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 225108144 KNNARXUBBREXHZ-UMSFTDKQSA-N 670.788 5.498 5 40 KKBB CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 229903664 RTWWHVYTDFRGAQ-ITHGDKCPSA-N 625.725 7.574 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260790023 NAUIUZMDCZFBNJ-HSZRJFAPSA-N 657.189 5.545 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 408564896 AROVBBVAZRYRAO-VWLOTQADSA-N 617.497 6.574 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(F)cc1 408565664 CRMZTKHPFZZBQG-QFIPXVFZSA-N 551.402 6.850 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(F)c1 408569583 JRINZIGQPQNQFM-QHCPKHFHSA-N 607.889 6.828 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccccc2)cc1 408644393 RBLZGNINAJWCSG-PDNQGOMLSA-N 772.208 6.501 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732703 XPROLDQACWHRRA-QTKIFTFOSA-N 794.839 6.679 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1 408844090 OMTHZSKTFXZWGC-XDHOZWIPSA-N 527.714 5.574 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(SC)cc1 408993837 XDKNSZWTBNXYBS-WDONWYDGSA-N 652.548 5.034 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409049486 RBZLIIGDRSMPJI-FFWTUWPMSA-N 680.783 5.814 5 40 KKBB CC(C)c1cc(I)ccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C 409127354 JETMHYBALUZYDY-QFIPXVFZSA-N 636.516 5.309 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409154448 OLOABOYPDFOXKU-ZVHZXABRSA-N 569.433 6.572 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 409161928 XCZZZHILTZMROU-NTNOMAAHSA-N 649.725 6.199 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O)Nc1ccccc1Cl 409229972 WHKBOUSGFNKTHS-ZMOGYAJESA-N 546.992 5.926 5 40 KKBB Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1C 409344485 HAIBYVQHWPYSDE-QFEZKATASA-N 545.573 5.148 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc2cc(Br)ccc2o1 409353603 OALCJNLHNVQHJF-UHFFFAOYSA-N 536.795 5.766 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 4066196 RMUXMIIXTNAVTE-UHFFFAOYSA-N 704.309 6.365 5 40 KKBB COc1ccc(/C=C2\CCCC3=C2N=c2s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n2[C@@H]3c2ccc(OC)cc2)cc1 8398331 PSUAOBZEGHULTM-FFRKIEOGSA-N 565.651 5.408 5 40 KKBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 59888147 QGCGTXWBRXMPLU-UHFFFAOYSA-N 615.089 5.191 5 40 KKBB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc2nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2c1 100928866 HOJZDZIPKRIXHQ-CYBMUJFWSA-N 544.998 6.632 5 40 KKBB CCCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4cc(Br)c(O)c(OC)c4)[C@H]3C2=O)cc1 101673361 DUUSPZHFETZJQF-MZKUHISZSA-N 612.433 5.302 5 40 KKBB O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[C@H](C(=O)c1ccc2ccccc2c1)[C@@H]1OC(=O)c2ccccc21 102980506 JVKNCBVJIVEUBW-JYFHCDHNSA-N 562.456 5.685 5 40 KKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2cccc([N+](=O)[O-])c2[N+](=O)[O-])cc1/C=C\c1cccc([N+](=O)[O-])c1[N+](=O)[O-] 104108593 MLLBUEYGPSJTBQ-XOHWUJONSA-N 552.368 5.477 5 40 KKBB CCOc1ccc(N2C(=O)CS[C@@]23C(=O)N(CN2CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC2)c2ccccc23)cc1 104162078 FZWBLZCVVCRJGB-LJAQVGFWSA-N 627.645 5.071 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105322216 VRIMRDQVRXFYPG-UHFFFAOYSA-N 554.072 5.515 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1Cl 105968882 NSPLDQUNGJNKGU-ROTLSHHCSA-N 561.019 6.235 5 40 KKBB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccc(Cl)c(Cl)c2)c(C)c1 112253091 HNHPDMLSXPRRQC-UHFFFAOYSA-N 550.464 5.965 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223448150 RYXQBRMKJBLYKG-QFIPXVFZSA-N 661.177 5.103 5 40 KKBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224739359 VIGIZLNYUDPFBJ-NRFANRHFSA-N 643.560 5.029 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc(Br)c3)cc2)cc1 224782245 JLMNWHZBZSSKAH-WDYNHAJCSA-N 628.577 7.871 5 40 KKBB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1)c1cc([N+](=O)[O-])ccc1Cl 224938093 QVWFMPLAQUDNDR-UHFFFAOYSA-N 549.992 6.366 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 225338040 VIYNPIRUQZETLJ-LJAQVGFWSA-N 627.163 5.103 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225349421 ALHGHXKIYRLLFC-VWLOTQADSA-N 700.041 6.401 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225357859 NPXWPGDRRROFGJ-SSEXGKCCSA-N 606.745 5.089 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 226692320 IUOCEGXTSMACIT-AGSVCEGISA-N 602.646 6.784 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260789822 MSGRBJYQWIHIGV-JOCHJYFZSA-N 643.162 5.237 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1 408558606 UYPVAXUDNOAGID-UHFFFAOYSA-N 504.324 5.708 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 408570402 LJDLJEGMFMAUCK-VWLOTQADSA-N 601.498 6.874 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 408576513 XNXRGJGDURFGLC-DEOSSOPVSA-N 511.003 5.927 5 40 KKBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccc(I)cc1 408604394 IMUYKLQJPOTONJ-RMKNXTFCSA-N 632.192 6.249 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 408637761 BBQDRFOCXFZEQS-UKILVPOCSA-N 608.434 6.275 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc([N+](=O)[O-])cc1 408638665 DBZVCFIAMBEZSV-UHFFFAOYSA-N 636.058 7.052 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccs1 408643026 OJQIPDFMMLRYGZ-VMHCRYLRSA-N 658.130 5.343 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1 408684122 MVSHMSKXTOQINS-ZBWOKKAISA-N 686.546 5.935 5 40 KKBB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(c4ccc(Cl)cc4)C(=O)[C@@]3(c3ccc(Cl)cc3)C(c3ccccc3)=C2c2ccccc2)cc1[N+](=O)[O-] 408722916 OHDCXGDOLXDBAI-WXHPKRHJSA-N 685.563 8.399 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733180 FRWFYNRCZMJVHZ-AMQCUNCASA-N 665.724 5.863 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Cl)c(Cl)c4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 409080095 LDWOISWQLYZYBB-JBDHCHCMSA-N 794.451 6.596 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409094209 BXYXPXYYVZSDHL-ZHGFHMGHSA-N 666.785 5.115 5 40 KKBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(OC)c1 409173713 QPBJNMSFYSVAFS-UHFFFAOYSA-N 705.167 5.217 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409245788 ZCQCJBCAKPUJPF-WOJGMQOQSA-N 507.362 5.391 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]32)cc1 409337192 YNKFAKUPNVCMIB-JSRHHAARSA-N 560.562 5.587 5 40 KKBB Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3cc(Oc4ccc5c(c4)CCC5)cc([N+](=O)[O-])c3)nn12 829544 AOGKTJNXUQPERD-UHFFFAOYSA-N 505.534 6.146 5 40 KKBB O=C(Nc1ccc(-c2ccc(NC(=O)c3ccc(F)c([N+](=O)[O-])c3)c(Cl)c2)cc1Cl)c1ccc(F)c([N+](=O)[O-])c1 2738532 ROEAZESUBULZNO-UHFFFAOYSA-N 587.322 7.260 5 40 KKBB C[C@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ncc(Cl)cc1Cl 3340985 RVKYVQZHWJMUPA-NSHDSACASA-N 560.337 6.651 5 40 KKBB O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3[nH]2)cc1)c1cccc([N+](=O)[O-])c1 6445406 BPERJFCAQODQKA-UHFFFAOYSA-N 522.477 5.551 5 40 KKBB O=C(COc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 32114507 VLEJCNHXJDBNLT-UHFFFAOYSA-N 508.317 6.881 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1)Nc1ccccc1C(F)(F)F 33353634 YBFRKPGRKHWTKY-UHFFFAOYSA-N 558.519 5.755 5 40 KKBB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5ccc6c(c5)oc(=O)c5ccccc56)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 70665229 HCSFRBRVRMVEBY-MIIHLGMYSA-N 652.916 10.668 5 40 KKBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 100815944 AMFZHMROHVNSJM-UHFFFAOYSA-N 526.621 5.174 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=Cc4cc(Cl)ccc4N3[C@H](C(=O)c3ccc(Br)cc3)[C@@H]2C1=O 101064475 CASFWPMBCHBMJZ-CGBRIMPHSA-N 592.833 5.592 5 40 KKBB COc1cc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)ccc3o2)cc(OC)c1OC 104222867 IEAVRKOEQFKFNA-UHFFFAOYSA-N 529.505 6.250 5 40 KKBB Cc1ccc(S(=O)(=O)c2c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n(Cc3ccccc3)c3nc4ccccc4nc23)cc1 104315374 YPBWMWOZZWEEIH-UHFFFAOYSA-N 613.677 5.483 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 138553011 AKKPHSMINRIYPW-UHFFFAOYSA-N 608.048 7.369 5 40 KKBB O=C(Nc1cccc(S[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 150484706 DVOJSDSWHBTYFR-ZJTZAHLKSA-N 661.523 6.735 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 224264175 GUKLVAVXEJYHHK-YTTGMZPUSA-N 642.778 5.653 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)o1 224284154 DKPZDCDIBCDEIQ-UIOOFZCWSA-N 500.580 6.052 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224591791 QWHTZQUGFXVWGJ-UMSFTDKQSA-N 688.803 5.282 5 40 KKBB Cc1c([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n(-c2ccccc2)c1C 224791700 ALHRLRWQQILXSN-ACHIHNKUSA-N 591.762 8.034 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224918770 CEORXZJTUSMJJV-IBGZPJMESA-N 607.516 5.040 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225067289 WCRSVEBLNOGKJQ-HKBQPEDESA-N 683.614 6.262 5 40 KKBB CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225635703 LSIMOHOOXFTBDB-IBGZPJMESA-N 607.516 5.039 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 261059253 NNAZRMKZRRAITM-DCFHFQCYSA-N 635.570 5.222 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Cl)c(OCc3cccc(F)c3)c(Cl)c1)[C@@H]1CCCN12 408563404 AJSSSZJSVGEXLK-CWWSAELMSA-N 542.394 5.766 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 408570741 MAQMYPLZMBNPFQ-RUZDIDTESA-N 638.371 7.733 5 40 KKBB CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 408639736 YLFYBEWUQZCYFK-HSZRJFAPSA-N 574.586 5.513 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5ccc6ccccc6c5C4=C[C@H](c4ccccc4)[C@H]3C2=O)c([N+](=O)[O-])c1 408729285 AUQOFQBWYHQPJG-PQIRLRHJSA-N 546.535 5.278 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4ccc5ccccc5c4C3=C[C@H](c3ccccc3)[C@@H]2C1=O 408733519 YVTDQJKTMGFJKJ-URENDEMCSA-N 530.536 5.578 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408764447 ISJILRWYGAABDN-MJASDKGPSA-N 708.705 5.562 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5cn(S(=O)(=O)c6cccc([N+](=O)[O-])c6)c6ccccc56)c(=O)n42)c2ccccc2CC3)cc1 408769891 QHITYPJZRCARIZ-HAWPWTPLSA-N 674.760 5.427 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408941682 QDSROELHWRLTFK-MRWVFDTMSA-N 692.190 6.125 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 408998384 UJNDGXSNRSYTEH-PEPUGYCWSA-N 805.501 6.956 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1 409108567 WVPVBVXXBMTEQZ-GVMLUORFSA-N 696.605 5.199 5 40 KKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1CCCc1ccccc1 409143178 NMYKDVFRFCUPON-SRZZPIQSSA-N 503.363 6.831 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409175507 ZPYRNXBXWPCUPF-RUZDIDTESA-N 522.340 7.475 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(Br)cc2CNc2ccc(Cl)cc2)cc1 409177825 HTYQAKHQOQARSI-UHFFFAOYSA-N 526.612 6.964 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409183001 QYRFOJDCMJKJRJ-AREMUKBSSA-N 506.470 5.176 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409192510 YEQYHYUAUUELII-VPHSIRQSSA-N 796.125 6.561 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl 409244100 XREJIMJNKUZHJW-LPYMAVHISA-N 523.954 5.502 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409266337 QUTQJQRUZCKDFT-OYKKKHCWSA-N 659.458 5.852 5 40 KKBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2 668922 SAYZUDCOQSAFGF-CYBMUJFWSA-N 502.980 5.108 5 40 KKBB COc1ccc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1Cn1nc(C)c([N+](=O)[O-])c1C 1794268 XTYWUTFKCAARSY-LJAQVGFWSA-N 537.620 5.760 5 40 KKBB biogenic CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)c1ccccc1n2CC 2263290 HQEZWHFKTIHGJH-UHFFFAOYSA-N 500.606 6.602 5 40 KKBB COc1ccc(CCNC(=O)c2ccc3c(c2)nc(SCc2ccc(F)cc2)n2c4ccccc4nc32)cc1OC 2959538 SKKSSUDIZIMLHO-UHFFFAOYSA-N 566.658 6.457 5 40 KKBB O=[N+]([O-])c1ccc(C[n+]2ccn(CCCNP3(=O)C=C(c4ccccc4)OC(c4ccccc4)=C3)c2)cc1 3168568 CNIAHHJFTPQGDP-UHFFFAOYSA-N 527.541 6.017 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1c2ccccc2N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1 3184126 TZHRTHXFBYXBTA-SANMLTNESA-N 560.835 7.923 5 40 KKBB COc1cc2c(cc1OC)[C@@H](Cc1ccc(OC)c(-c3cc(C[C@@H]4c5cc(OC)c(OC)cc5CC[N+]4(C)C)ccc3OC)c1)[N+](C)(C)CC2 4273412 CJOOSZCNPCJIOG-LQFQNGICSA-N 682.902 7.238 5 40 KKBB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H](C[N+](=O)[O-])[C@H](/C(C)=N\Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[C@@]4(C)CC[C@H]32)C1 8406365 UCEHKNHPQSKYBD-YIEIHITBSA-N 597.669 6.304 5 40 KKBB biogenic COc1cc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Oc5ccc(F)cc5)cc([N+](=O)[O-])c4)c3N2)cc(OC)c1OC 8444566 NXHFAHCBVRIXDA-RCZVLFRGSA-N 631.539 6.661 5 40 KKBB COc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 9201527 RNBQZRYMVZHUPQ-MHZLTWQESA-N 510.502 5.637 5 40 KKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)CCCCCNC(=O)OCc3ccccc3)ccc12 11867563 DMUYZENUSRBQGX-UHFFFAOYSA-N 503.551 5.655 5 40 KKBB biogenic CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(c1cc(C)ccc1C)=NN2c1ccccc1 98002720 CISJKYBSEAYNPJ-WJOKGBTCSA-N 547.640 6.750 5 40 KKBB COc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2ccc(N4CCCC4)c([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(OC)c2)cc1OC 103995288 JFFXOTLGVJYQIL-OTKFODQVSA-N 626.710 6.666 5 40 KKBB O=C(NC(=S)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305916 DUFGAQFLWORDBX-UHFFFAOYSA-N 536.017 5.099 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 106185702 KCCVNLVPUVDSAF-UHFFFAOYSA-N 561.616 5.325 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@]1(c3ccc(Cl)cc3)C(=O)[C@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 150365156 HCUASSZGQJKMAB-UDKDVIIMSA-N 671.536 8.091 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 150389678 IZWBNTUQVSYALQ-LRAMOIDDSA-N 668.522 5.055 5 40 KKBB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223307174 DYPYJRSJYPDWQY-QHCPKHFHSA-N 671.987 5.621 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225382260 VRNJWRORGRFBFE-UMSFTDKQSA-N 707.249 6.317 5 40 KKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 245285571 XRNAPTJIDRDNAA-FMOQVDIMSA-N 727.073 11.014 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260828141 ZSKXCGSPINHGOJ-JOCHJYFZSA-N 691.634 6.280 5 40 KKBB CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1 408530621 PYQVSFRCONKDEB-PGUFJCEWSA-N 648.741 7.469 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408564930 GMCTUMQBNQZORO-YJIIWGRFSA-N 542.419 5.493 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 408572488 RHOGEJWIBVQVKR-VWLOTQADSA-N 559.475 6.889 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408770816 ACRRUFQCDLXGKQ-QARYAGPDSA-N 825.394 5.634 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1cccc(OC)c1 408844911 XEVFWOAMBOMVMF-POKSHJSXSA-N 621.671 5.421 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(=O)c5cccc([N+](=O)[O-])c5)cc4)c(=O)n32)cc1 408858355 RXILTCQGHUKPRI-GONGWJOBSA-N 660.708 5.400 5 40 KKBB Cc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(c4ccc(Cl)cc4)C(=O)[C@@]3(c3ccc(Cl)cc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])cc1C 408919456 YFCJXYAPQBMGKC-CTGRGZOBSA-N 699.590 8.707 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408930099 SBBHPFFAUZERIX-ZMOGYAJESA-N 673.485 6.079 5 40 KKBB COCCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccccc1OC(C)C 409010241 BRDXZENFOAJCRH-AOFXREQWSA-N 592.717 5.518 5 40 KKBB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409045428 PMRMEOROIDFNLJ-ASZNLBCTSA-N 678.561 5.447 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409067954 DZMDLYDMZQTZTR-WSDLNYQXSA-N 617.371 5.409 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409084613 WWHUEALLIBORHG-UPWSPCOFSA-N 680.602 5.937 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409145213 NGAVFVJFPFOKGP-LLXISZFLSA-N 693.807 5.801 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 409188420 HLCJZNYHVHMYKJ-RGVLZGJSSA-N 624.694 7.593 5 40 KKBB O=C(Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 721053 RTFXQQKKWQZDFU-UHFFFAOYSA-N 538.417 5.902 5 40 KKBB CC1=C(C(=O)Nc2ccc(C)cc2C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccc(C)cc2C)=C(C)N1 27527193 SXOUVQFPPYUQLT-UHFFFAOYSA-N 524.621 6.341 5 40 KKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 57315885 HEUAGWKNAUAZKX-UHFFFAOYSA-N 528.609 7.024 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)c1ccccc1C(c1ccc(C)cc1)=NN2c1ccccc1 97950973 RZANEAVKQLRIMM-SSEXGKCCSA-N 533.613 6.442 5 40 KKBB CCCCCCOC(=O)[C@]1(O)C[C@@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 100006700 ZHEHVZXPFVXKEY-IDOPARGSSA-N 537.616 5.606 5 40 KKBB in-vitro O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100957600 OVCHAOGKMUJTEL-UHFFFAOYSA-N 515.866 5.231 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 105980213 FYAPHYXEUMIKMG-QRVIBDJDSA-N 559.427 7.116 5 40 KKBB COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3c2)cc1Cl 215873296 ORIOYFYKOQHQOQ-UHFFFAOYSA-N 531.999 5.549 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 225069547 VIVQVXMXQVNFGV-NDEPHWFRSA-N 677.607 5.375 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 225448682 YOIAVUGDUJAXSS-LJAQVGFWSA-N 671.614 5.212 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)o1 225538685 IQAAAJZTOOBRNQ-SVBPBHIXSA-N 543.605 5.260 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260994497 OGBNWHDSBNBEEJ-MGBGTMOVSA-N 709.652 6.796 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCC)c(OCC)c2)cc1 408573100 SLVBBGGGIJNSOF-OAQYLSRUSA-N 551.463 5.644 5 40 KKBB O=[N+]([O-])c1ccc(Sc2nnc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)n2)nc1 408581947 BDBFEYUZGNGYAX-UHFFFAOYSA-N 545.216 6.185 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)O)o1 408631579 FSTFQUWHNSAZCQ-UUYOSTAYSA-N 539.953 6.104 5 40 KKBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]21 408642734 FCUJLDVJNMZUDT-AKRGNFOKSA-N 573.989 5.478 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408684222 NBFFAERILSBNFD-FZDFQQAASA-N 598.442 6.351 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 408728952 BEBFHKWPYIBAIT-PRLWALMFSA-N 660.502 5.989 5 40 KKBB O=C1Oc2ccc3ccccc3c2C2=C[C@H](c3ccccc3)[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]3[C@H]12 408730737 HLWNVNFYYGWMFE-PLOYFGMMSA-N 550.954 5.923 5 40 KKBB CC(C)c1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1 408749445 GWXHFOKMLIYTML-UHFFFAOYSA-N 550.618 6.009 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 408770407 XCFCYASOMHAYCZ-FATJQOLTSA-N 632.698 5.370 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408773918 MYIXDGSQKAHFMK-WGJPBTIMSA-N 791.595 6.175 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCc5ccc([N+](=O)[O-])cc5)c(Cl)c4)c(=O)n32)cc1OCC 408938823 SIPBTRKFANHFHF-MKTOWPBFSA-N 684.554 5.610 5 40 KKBB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4[N+](=O)[O-])sc3c2)n1C 408978688 AKTYSTKRRGNAKN-UHFFFAOYSA-N 635.753 5.682 5 40 KKBB O=C(CSc1nnc(Cc2cccc3ccccc23)n1-c1ccccc1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408981539 IDZVEJPLUZQITR-UHFFFAOYSA-N 674.833 8.552 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409044779 PBCVSEUNTLBZBX-QHCWNQLDSA-N 718.741 5.602 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1 409106032 QBMPKKNZNXFIFF-MFISQUFLSA-N 659.790 5.565 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 409149970 WUTHCBGUUKPWMM-FUFNRSNVSA-N 645.763 5.052 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)ccc1Cl 409159629 RPROHSHZRDTOLB-DHRITJCHSA-N 678.041 7.691 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)ccc1Cl 409206216 IKHSKHYFCQDULB-GRSHGNNSSA-N 596.843 5.643 5 40 KKBB CC1=C(/C=C\C(C)=C/C=C\C(C)=C/C=C\C=C(C)\C=C/C=C(C)/C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1 32786174 OENHQHLEOONYIE-BKOINNTMSA-N 536.888 12.606 5 40 KKBB Cc1c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cccc1-c1nc2ccccc2s1 33551861 UIXJZEDQPLFFOD-UHFFFAOYSA-N 514.588 6.567 5 40 KKBB O=c1/c(=C/c2c3ccccc3cc3ccccc23)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 58865368 DBIUZRFKNPZGIQ-YWEMJKAQSA-N 520.657 6.625 5 40 KKBB CCOc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]3c2ccc(OCC)cc2)cc1 97983322 AKSZYOCCHXPUBR-JZAKSMLXSA-N 570.602 6.737 5 40 KKBB COc1ccc(OCc2ccc(/C=C3\CN(S(=O)(=O)c4ccc(C)cc4)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c43)o2)cc1 100202958 YIYCRRPOLBTNDI-CPNJWEJPSA-N 577.571 5.742 5 40 KKBB CCOC(=O)C1CCN(CCCNc2cc3oc4cccc(C)c4[nH]c3c3c(=O)c4ccccc4c(=O)c23)CC1 101029028 FMJAHIXKMCMXAC-UHFFFAOYSA-N 539.632 5.326 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1c(-c2c(F)cccc2Cl)noc1C 102921466 QTVDQTATVMUOPK-AWQADKOQSA-N 604.038 5.828 5 40 KKBB COc1cc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc(OC)c1OC 104222778 UWGYLVDSEFCJBG-JLHYYAGUSA-N 541.516 6.341 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5cccc6c(Cl)cccc56)nc4c3)cc2[N+](=O)[O-])CC1 105303489 KDRJWUGSSWQAJQ-UHFFFAOYSA-N 541.007 7.698 5 40 KKBB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 164763773 SGLRWOIMEQKGLC-UHFFFAOYSA-N 624.773 7.534 5 40 KKBB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224760184 XMDAAUFEZXAWEP-JOCHJYFZSA-N 631.151 5.012 5 40 KKBB CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224783224 WPWCFXKSKJSNSR-FIRIVFDPSA-N 593.734 7.508 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224816749 FYGCMJUEMQSXAJ-HHHXNRCGSA-N 635.570 5.677 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225059509 HHRZFDQNIFEMIH-MHZLTWQESA-N 554.474 6.143 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 225579353 LVJLNCGDFYQGGT-KAYWLYCHSA-N 527.606 5.560 5 40 KKBB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 225678569 NEFHUFQBBSKKPC-SXOMAYOGSA-N 543.605 5.260 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261027601 IWGLUHSBOADIBX-MGBGTMOVSA-N 721.276 6.624 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261031593 XJJBTPFEJLOATK-DCFHFQCYSA-N 635.570 5.819 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1cccc(F)c1 408565525 CDXUFBZEBNBOOD-XMMPIXPASA-N 561.010 6.595 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408680446 GHDJUXUAIGUVLU-UHFFFAOYSA-N 618.600 6.624 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408840510 GPNJVWSCOGOXPK-PLNPHXOGSA-N 651.697 5.511 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cccc(OC)c1 408989548 ICLWINWOUMHSRP-JBVGNYNVSA-N 677.735 5.440 5 40 KKBB Cc1cc(Br)c(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(O)cc2)C3=O)cc1C 409001694 QMUCTODJWCAQNV-UHFFFAOYSA-N 532.350 6.377 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409011415 HQNUBWBNXJGOSE-OGLMXYFKSA-N 681.565 5.720 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409096047 CFYRIVCINKMXME-SSDVNMTOSA-N 570.371 5.567 5 40 KKBB CCOc1cc(CNc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409112861 DMAWVQDIAHNFMH-UHFFFAOYSA-N 504.324 5.789 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409151897 IMJYSFFWNPZEDI-YSURURNPSA-N 631.541 6.208 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)Nc1cccc(Cl)c1 409170185 UNCVLRQSCPRQNR-WSDLNYQXSA-N 523.954 5.502 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409174994 XMOFFSHMGNXJFA-MFKUBSTISA-N 547.589 5.556 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c(C)c1 409182146 IJXBUPFVBNMWKV-ZVHZXABRSA-N 517.563 5.466 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409270271 ONJBFSLKOSHZJA-YDZHTSKRSA-N 593.580 6.099 5 40 KKBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 6150746 LBZGWDQRAOSAOL-UHFFFAOYSA-N 514.416 6.396 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccccc1F 9234138 ASDYIEPFNNPWKB-VXLYETTFSA-N 503.305 5.993 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccc(F)cc6)cc5)nc34)c12 13644125 NRFFFJXZLBJEAA-UHFFFAOYSA-N 509.488 6.600 5 40 KKBB C[C@@H]1N(C)c2cc(NC(=O)c3ccc(F)cc3)c([P@@](=O)(Nc3ccc([N+](=O)[O-])cc3Br)N3CCOCC3)cc2C1(C)C 97984799 BMTFUVKAGQZJFL-FGGXYXRSSA-N 660.481 6.127 5 40 KKBB O=[N+]([O-])c1ccc([C@@H]2O[C@@H]3C(c4ccc(Br)cc4)=Nc4ccccc4N3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 101070798 KVXGFJVCCUJLAT-OZNIXHKMSA-N 571.387 7.045 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 102942275 WHEJTLXYTPCBRZ-ZKFFPQSXSA-N 554.861 8.238 5 40 KKBB O=C(COC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2)Nc1ccc(Cl)c([N+](=O)[O-])c1 103134678 OYVPASVRYMHYQS-UHFFFAOYSA-N 532.961 5.887 5 40 KKBB CC(C)(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 105306141 YESARBXWIBKHCE-UHFFFAOYSA-N 557.676 6.818 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105313426 IYAPZKRQCJDSKL-UHFFFAOYSA-N 579.638 6.033 5 40 KKBB CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2s1 112234195 XYHZIULQAKZBCJ-UHFFFAOYSA-N 526.644 5.060 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 163738992 LYPKHZIDSVTLNV-MXLMUYMQSA-N 666.668 5.569 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 163745795 IXZSPVVQEWMLGI-YVBHXKDBSA-N 628.663 5.530 5 40 KKBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)c(C)c1 211057104 HTPFAGFAWPJTFI-ZXVVBBHZSA-N 527.602 6.192 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 211064861 ZIBTXUXSWMRDGE-NLRVBDNBSA-N 578.444 6.337 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCC 214896981 RKMZKSLOPWGHIF-WOJGMQOQSA-N 554.362 5.233 5 40 KKBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 216342381 JDPQVQFBWFMLMM-UHFFFAOYSA-N 549.936 5.010 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223896680 NJNFDZHJICAMSF-NIYFSFCBSA-N 588.488 5.844 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224134712 SCGNACLWSDNYGC-MGBGTMOVSA-N 707.249 6.235 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3Cc3ccco3)cc2)cc1 224768523 BCGLYOXTEJIAFQ-IZLXSDGUSA-N 553.669 6.761 5 40 KKBB Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224789301 NCJRHRIKUQETMU-KYJUHHDHSA-N 599.137 8.540 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 225082310 GDDBAMKNTJZRLR-CONSDPRKSA-N 590.665 5.975 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 225203616 WNHFLVGHXZDCBP-KAYWLYCHSA-N 543.605 5.784 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 248114027 AFMJNMFGJOBXNT-GGVMLGSCSA-N 571.589 5.585 5 40 KKBB CCCCC[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@H](Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC 248272745 QUHKMDJLJIBVDI-NLHBEUNGSA-N 574.715 5.237 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260986127 BUPPOYLVNTVFDW-UKJJDJLKSA-N 646.741 5.484 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408627653 OFNDWBCBQUOHHQ-UHFFFAOYSA-N 557.934 5.418 5 40 KKBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408639834 GIBFOYLMAZYOAS-OAHLLOKOSA-N 595.222 6.523 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730463 REGSOZAVAUVZKB-UPWSPCOFSA-N 661.048 5.788 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)S2)cc1 408776628 XRPXQLLBCVZODK-SCRHHBKZSA-N 526.014 5.998 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 408923876 HPJKWGIUDXHJML-UHFFFAOYSA-N 534.299 5.974 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c2=O)=N1 409050797 ZWEHKGTWFNZYFE-ABBNRAPFSA-N 651.539 5.049 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCCC3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409099735 TUKFPDWQOABJJX-YSGLVZJUSA-N 653.805 5.554 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl 409152171 JQLJVPXPTIEPRS-KSEXSDGBSA-N 660.886 6.051 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12 409174744 UNTINMJNGZCWIP-UHFFFAOYSA-N 558.634 9.007 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)c1 409181932 GVESVUNDXJSWDC-UHFFFAOYSA-N 528.904 6.198 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409204351 GEDSUEUAVDONSN-ZMOGYAJESA-N 533.562 5.166 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409229141 KGDPVLBSLFTAGG-YDZHTSKRSA-N 752.303 5.477 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409258319 UJERXSVNIMJWCG-LGJNPRDNSA-N 638.496 5.566 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409384529 DEDJJVIHWPLPFG-WSDLNYQXSA-N 664.430 5.793 5 40 KKBB CCCOc1ccc([C@H](O)[C@H](CC[C@H](C[N+]2(C)CCCCCC2)[C@@H](O)c2ccc(OCCC)cc2)C[N+]2(C)CCCCCC2)cc1 524734506 LKJLUMSRUYTZIX-JFDQHVTASA-N 638.978 8.085 5 40 KKBB CO[C@@H](C)C1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5[C@@H](C)O)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C 2242101224 AEWMCYQDHSDWMG-RTWAWAEBSA-N 612.727 6.763 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)c1 3287508 KOZQHFRTTBEHLY-UHFFFAOYSA-N 564.551 5.048 5 40 KKBB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3O)oc2c1 14275135 WMQHPOJXYOYRMQ-UHFFFAOYSA-N 514.519 5.804 5 40 KKBB Cc1cc(C)c(/N=c2\ccc3c(-c4ccccc4C(=O)O)c4ccc(Nc5c(C)cc(C)c(S(=O)(=O)O)c5C)cc4oc-3c2)c(C)c1 95100251 ISSIHHYZVSBUQK-JBFMKSPFSA-N 646.765 8.976 5 40 KKBB CC(C)(C)[C@@H]1CCc2c(sc3c2c2nnc(SCC(=O)c4ccccc4)n2c2nnc(SCC(=O)c4ccccc4)n32)C1 101542593 KNKXRFXQCIZYQZ-OAQYLSRUSA-N 626.833 7.088 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=C(O)C1 102532491 PITWRMYPYMZHGT-PMERELPUSA-N 533.584 7.961 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccncc1)[C@]21C(=O)Nc2ccccc21 102893834 ZMPULFICGYXEER-UUQNIDNHSA-N 556.578 5.236 5 40 KKBB COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 102896310 LBNYTRPIGAZBEM-ULNSLHSMSA-N 579.565 5.182 5 40 KKBB O=c1c2ccc3c(=O)n(-c4cccc(C(F)(F)F)c4)c(=O)c4ccc(c(=O)n1-c1cccc(C(F)(F)F)c1)c2c34 103072073 VQTBGFQAZWFIMF-UHFFFAOYSA-N 554.402 5.082 5 40 KKBB COc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3N3CCN(C(=O)c4ccc(C)cc4)CC3)o2)c([N+](=O)[O-])c1 104011475 RAQGYIBCWZVLQI-UHFFFAOYSA-N 575.021 6.040 5 40 KKBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224735425 WYAAFSFDMGKYPG-KRWDZBQOSA-N 534.476 5.067 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1 225302775 GVXKXPRCTLUAIW-HKBQPEDESA-N 620.772 5.067 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccc(Cl)cc1 408564904 ARZIJLXREJOAIW-HSZRJFAPSA-N 533.412 6.711 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565929 MFCXFKLFQIDFSI-WSNNEZGNSA-N 577.262 5.857 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c1 408570597 LMQCMUZJRJREPC-XMMPIXPASA-N 584.452 6.244 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 408570701 LXJIGVNCBHAPEK-HHHXNRCGSA-N 552.628 6.201 5 40 KKBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1 408639046 DZCYIGBXYARHJV-NSHDSACASA-N 789.025 6.578 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)CCCCCN2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408645675 AIMXXGVCXYCVFE-FZNVTIIDSA-N 608.478 5.696 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 408647915 WAVRQTSMSKXSPJ-BJKOFHAPSA-N 608.434 6.275 5 40 KKBB O=C(CCCCCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1cccc([N+](=O)[O-])c1 408656944 MOVNQAKYQIPBFE-CCSVULQMSA-N 578.452 5.687 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(I)c(OCc6ccc([N+](=O)[O-])cc6)c(OC)c5)c(=O)n42)c2ccccc2CC3)cc1 408757984 SYPYMAQFKFBIIH-VSQRRKBNSA-N 757.606 6.428 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408974794 DXWLJNQMYSGSIJ-USDTVRPUSA-N 678.561 5.447 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409031594 HOFDBMYLQSOSLS-PGUFECHJSA-N 845.519 5.761 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409044781 PBCVSEUNTLBZBX-SODCYNRPSA-N 718.741 5.602 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409074912 OCDABAHUVCKHOO-WSDLNYQXSA-N 525.920 5.458 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 409159615 ODYPTRAPKOROME-RGVLZGJSSA-N 542.367 5.601 5 40 KKBB Cc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409178049 DRTSCLGMZWECNY-UHFFFAOYSA-N 513.289 5.050 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409190236 QIDGDHJKDBILOI-FZEVDNDPSA-N 781.700 6.747 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409384210 CDOYYTIWRTYXQA-YSMPRRRNSA-N 699.523 5.798 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 8833015 BTQKQGQFASKINV-UHFFFAOYSA-N 515.595 5.829 5 40 KKBB Cc1ccc(N(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 12587085 INBSKBUAAJTFLE-HGHGUNKESA-N 508.040 5.001 5 40 KKBB CC1(C)CCc2c(N3CCOCC3)nc3sc4c(SCc5ccc([N+](=O)[O-])cc5)ncnc4c3c2C1 20358156 BGHAFARUGNXUAD-UHFFFAOYSA-N 521.668 5.792 5 40 KKBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 20528986 LBQLHTCGHWWQIK-UHFFFAOYSA-N 510.978 5.455 5 40 KKBB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 33727972 FCQDVDWONHPQEB-QGZVFWFLSA-N 507.418 5.008 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 100352732 VQVOKINOJHJTMS-YDYVRPLESA-N 598.995 5.638 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc2ccccc2c1 100359962 LZRMDWOOXIXAKV-AFUMVMLFSA-N 527.514 6.685 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 101670719 HKAUMPZMOFDTTB-ZXFZPVEDSA-N 585.616 5.850 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105308061 VHCYCHCHVLNENY-UHFFFAOYSA-N 521.986 5.783 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)c(C)c1 105314150 HBFYBXQCEUOVFA-UHFFFAOYSA-N 583.674 6.179 5 40 KKBB O=C(NC(=S)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105382822 RBGSWWWZLWZSLU-UHFFFAOYSA-N 529.397 5.868 5 40 KKBB Cc1c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1Cc1ccccc1Cl 106739557 RLQDHHWSDNXUAJ-QFEZKATASA-N 517.994 6.796 5 40 KKBB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107982187 DTSARASWDAQLNP-UHFFFAOYSA-N 514.588 6.567 5 40 KKBB Cc1ccc(-c2ccc(C(=O)NC(=S)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)o2)cc1Cl 112240255 KMWHAJKRDYXJPY-UHFFFAOYSA-N 552.962 5.672 5 40 KKBB COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)ccc1Br 150484795 IVZFXLPEQIKWJN-VPHSIRQSSA-N 701.555 6.200 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c2=O)=N1 163455348 XTANJKSXHDNFPR-ACHQHTMYSA-N 655.773 6.198 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163625336 AIOICQLTCWOGFC-RWTNITNYSA-N 740.913 6.383 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222972157 CIKYDNWVZJSHDS-MHZLTWQESA-N 665.596 5.089 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 225694009 SKNMGUWACHPHJP-SXOMAYOGSA-N 527.606 5.560 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260970660 IWPQABCAKKLMMI-MGBGTMOVSA-N 751.700 6.424 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(Br)cc1 408678077 CMZMYEYWTLYILS-AGTZKDDFSA-N 636.458 5.490 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408687691 USVORSBQROQZRA-ZYNNUQKQSA-N 624.091 5.599 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408734691 IOTHXAYLCGAEHI-WOSHRIRTSA-N 643.718 5.083 5 40 KKBB Cc1cc(Br)ccc1-c1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1ccc(C34CC5CC(CC(C5)C3)C4)cc1)C2=O 408755907 GHSUGRRUWIDYSD-UHFFFAOYSA-N 621.531 8.754 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccccc1 408828107 VSCMMBGYMWHUJY-BKUYFWCQSA-N 511.353 6.177 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(F)cc1 408865892 CLWYXIDJSUERIM-GRSHGNNSSA-N 501.879 5.322 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1cccc2ccccc12 408869347 BZYHQOSNOOGDAY-USDTVRPUSA-N 579.634 5.428 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)c(OC)c1 408980486 WWMATZGSDJTOQF-UNDLXJOSSA-N 622.659 5.059 5 40 KKBB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409031126 GJUARHCTRMCQHF-ASZNLBCTSA-N 634.110 5.338 5 40 KKBB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409031897 BHPNCFCVFQBZDZ-STZFKDTASA-N 524.396 5.541 5 40 KKBB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 409037587 SXHPGWBWAREJNU-IWIPYMOSSA-N 524.982 6.251 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409080747 OARNREVCQVJYHU-XSTKMXAKSA-N 708.587 5.455 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1 409086248 GONVAZUBUNTXHM-IAOUMNOZSA-N 629.764 5.551 5 40 KKBB CC1(C)OC(=O)C([C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c2c[nH]c3ccccc23)C(=O)O1 409112553 DWZLLOQZHSPASH-XMMPIXPASA-N 500.507 5.239 5 40 KKBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409150704 DEMSJPMZWFYNJS-FQEVSTJZSA-N 551.456 5.371 5 40 KKBB Cc1ccc(Cl)cc1N1C(=O)c2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2C1=O 409176932 BKXQISFBQMDUKW-UHFFFAOYSA-N 542.931 6.507 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409341767 BYGOKGLFFVVUPG-WGARJPEWSA-N 604.641 5.419 5 40 KKBB CC(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)Nc3ccc([N+](=O)[O-])cc3)S2)cc1 2049251903 JAHMOCIPIKTUPZ-IZZNHLLZSA-N 576.078 6.550 5 40 KKBB O=C(Nc1ccccc1)c1nn(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1 4292494 FZUKQUHIBFMFFQ-UHFFFAOYSA-N 524.558 5.533 5 40 KKBB biogenic Cc1ccc(NC(=O)c2sc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)c3c2N)cc1[N+](=O)[O-] 6280905 BKMJTDIKTVRGIR-UHFFFAOYSA-N 549.439 7.988 5 40 KKBB O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 9892483 KQYDPXSMOKFIDW-UHFFFAOYSA-N 502.659 5.505 5 40 KKBB Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 12617930 PZEOMCVUMLNMLP-UHFFFAOYSA-N 523.618 6.267 5 40 KKBB O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274772 FWDAMASFZVPHNH-UHFFFAOYSA-N 503.609 5.599 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 16196309 SMZXLBSKXNOEMA-UHFFFAOYSA-N 510.805 6.344 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(Cn5nc(C(F)F)c(Cl)c5C5CC5)nc34)c12 97945232 PEMVQBXLNSSQMH-UHFFFAOYSA-N 513.883 5.928 5 40 KKBB CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 102899400 PXYSLKZLVKDHQE-AWCRTANDSA-N 579.565 5.264 5 40 KKBB COC(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)ccc2N2CCCC2)cc([N+](=O)[O-])c1 102996314 GSORDHCIMWCTIN-UHFFFAOYSA-N 593.445 5.342 5 40 KKBB O=c1c2ccc(C3=NN(c4ccc([N+](=O)[O-])cc4)[C@@H](c4ccccc4)C3)c3cccc(c32)c2nc3ccccc3n12 104430866 KNYBFVJHFJXHPL-SSEXGKCCSA-N 535.563 6.856 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 105768664 IOPLSNCNPFUALT-RTOMEVGKSA-N 598.464 5.582 5 40 KKBB CCC1=C(CC)c2cc3nc(c[nH]c4cc(OCCOCCOCCOC)c(OCCOCCOCCOC)cc4ncc4nc(cc1n2)C(CCCO)=C4C)C(C)=C3CCCO 150545393 BYUVGCUXCATAHS-UHFFFAOYSA-N 874.089 7.315 5 40 KKBB investigational COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222961859 GPRXKLNEKKILLP-FQEVSTJZSA-N 665.596 5.746 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223534399 YMALEXHMFSLGBB-LJQANCHMSA-N 526.417 5.011 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224333125 HHZQFCFGRVPWQL-NDEPHWFRSA-N 613.136 5.310 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 225082391 GDDBAMKNTJZRLR-IOWSJCHKSA-N 590.665 5.975 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225496985 UUENDQGITZJEDJ-MUUNZHRXSA-N 614.526 6.378 5 40 KKBB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 225678612 NEFHUFQBBSKKPC-RRPNLBNLSA-N 543.605 5.260 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260905037 WGBASVBESDJBGK-JGCGQSQUSA-N 762.112 7.232 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1cccc(Cl)c1 408571174 NZORRNMEGPGJLR-XMMPIXPASA-N 621.916 7.219 5 40 KKBB O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1ccc([N+](=O)[O-])cc1 408667398 VLSOVDMBDYSNRD-BONBFMHJSA-N 621.473 5.474 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4cc(C)ccc4C(C)C)cc3)C2)c1 408667593 UMIHQWNVHOJBFG-FQEVSTJZSA-N 561.591 5.362 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733148 FGVACGPXXGMKOY-QJWUKVPRSA-N 737.810 6.154 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1)c1ccc(Cl)cc1 408750401 MJYWVDLEGBLJLI-UHFFFAOYSA-N 509.952 5.634 5 40 KKBB CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408775953 KUXCWVUWWBVQEL-LKWZWFHSSA-N 584.492 6.497 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408821886 ADXWMMDRDJGMBG-FUFNRSNVSA-N 757.457 6.209 5 40 KKBB O=c1/c(=C\c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408830429 MVJWAEOPDIIJRI-VNOBABJFSA-N 662.724 5.558 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408850451 AHLBGYSFDNEOLL-ACHQHTMYSA-N 677.735 5.866 5 40 KKBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 409014955 QONGSBCZSPZIAN-NNLQFVHNSA-N 708.268 5.371 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c2=O)=N1 409043235 DJZKZYOWBUWVEA-OGMUYLFESA-N 605.672 5.439 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1c1cccc(Cl)c1 409086837 HFJAGVGQBGHHAZ-RGVLZGJSSA-N 528.746 5.687 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 409160604 UTSDFJNCVAPPDE-ADUBFANXSA-N 679.751 6.210 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(Cl)cc1 409162627 GMMALCSVODURAA-VXLYETTFSA-N 518.334 5.837 5 40 KKBB CS(=O)(=O)CC[C@@H](C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1C(=O)c2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2C1=O 409182142 IJKFTUHZVIQUNX-BHVANESWSA-N 809.762 6.587 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409196557 WCVHJPHJLDDORO-KOEQRZSOSA-N 504.564 5.852 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409227889 SNHZRDYWSFQIES-YDZHTSKRSA-N 613.408 5.578 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409248929 LVVAOIZUQXGSRJ-YDZHTSKRSA-N 613.408 5.578 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc(F)cc1F 409274954 RLBISIFFEQRTRI-SSDVNMTOSA-N 525.489 5.127 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409332430 FDTVAQGAKTUIAQ-WOSHRIRTSA-N 643.718 5.083 5 40 KKBB O=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(Cc1ccccc1)Cc1ccccc1 4014462 ZTDDDYGEUNGSNG-UHFFFAOYSA-N 551.386 7.269 5 40 KKBB CCn1c(Sc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[N+](=O)[O-])nnc1-c1ccncc1 5940883 PYGVARADRDKRLL-UHFFFAOYSA-N 550.544 5.239 5 40 KKBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)sc2c1CCCC2 6089554 XNDNEZXDHFUEGK-UHFFFAOYSA-N 547.677 6.423 5 40 KKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1)Nc1ccccc1 44088045 FJHBUJJDLZWLEY-UHFFFAOYSA-N 514.485 6.077 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@@H]2[C@H]1c1ccc(Br)cc1 96022817 ZDNBRCBWQVHZMF-UCNGGQBMSA-N 629.736 8.210 5 40 KKBB COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 97981409 JXASZJPGMNDGOR-UXBLZVDNSA-N 529.496 6.420 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1cc2ccccc2o1 100024659 KDELCJWXVSBKCF-UHFFFAOYSA-N 540.557 6.289 5 40 KKBB Cc1nn(-c2ccc(Cl)cc2)c(O)c1[C@H](c1ccccc1[N+](=O)[O-])c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O 101620421 NJQIKEFTLKDBRK-RUZDIDTESA-N 550.402 6.069 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccc(Cl)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2=C(O)C1 102648865 PMCNEAFZCMADMF-NDEPHWFRSA-N 515.997 7.283 5 40 KKBB O=C(N[C@@H]1C(=O)n2c(nc3ccccc32)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 102849546 FXYINVKSSYTPQJ-PVHODMMVSA-N 530.540 5.147 5 40 KKBB Cc1ccc(S(=O)(=O)N(c2cccc(C(F)(F)F)c2)S(=O)(=O)/C=C/c2ccccc2)cc1[N+](=O)[O-] 102973617 CFRZLTHAGCXSIZ-OUKQBFOZSA-N 526.514 5.118 5 40 KKBB CC(C)CN(CC(C)C)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 103053703 MNVAWAHWRIJRMB-UHFFFAOYSA-N 560.898 5.347 5 40 KKBB COc1ccc(OC)c(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 103556327 UHXKNIZXANIXRU-RAESKKBESA-N 601.615 5.468 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105322727 MXNCQFNNKJLMJJ-UHFFFAOYSA-N 558.463 6.129 5 40 KKBB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 110332753 BNHHOFSQFSOALP-QHHAFSJGSA-N 533.359 5.157 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C)C(c1cccs1)=N2 150428921 UGNMBWYWDTWIMQ-KXQOOQHDSA-N 626.477 6.257 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)o2)c1 223957250 XDSAIFGEHYZVHK-SXOMAYOGSA-N 527.606 5.264 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 224783901 GJOILVNRCHFORT-URLMMPGGSA-N 594.678 7.017 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 225141508 LEXFMVKBDIWLAC-IZZNHLLZSA-N 562.051 6.675 5 40 KKBB Cc1ccc(N(CC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 245228235 KWGSPEIZXIERNL-VNYTWHDVSA-N 520.051 5.001 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260932356 PPHWKHCMSUFAFM-SSEXGKCCSA-N 685.641 5.521 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(Cl)c(Cl)c2)cc1 408544696 IQGSMKBLAJRCJX-UHFFFAOYSA-N 508.383 5.352 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 408569936 KHSZBMWMGUTVTH-HKBQPEDESA-N 584.698 7.215 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408570590 LLSLMMLMSFNQCG-XMMPIXPASA-N 600.451 5.944 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 408571096 NMQMULBPLUQIGX-RUZDIDTESA-N 559.475 6.970 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C/c3cc([N+](=O)[O-])ccc3Sc3ccccc3)C(=O)O)o2)c1 408632467 JBOFYGZEUPMTHK-LPYMAVHISA-N 537.575 6.031 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 408647916 WAVRQTSMSKXSPJ-DNQXCXABSA-N 608.434 6.275 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408682840 KABXUMCZEJPXIE-FZDFQQAASA-N 598.442 6.351 5 40 KKBB Cc1cccc(C)c1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408736387 BKUPNIBPQYRULZ-HHHXNRCGSA-N 507.590 5.710 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 409356182 FMTUQAGCOFTMMW-ZDUSSCGKSA-N 537.429 5.043 5 40 KKBB Cc1cc(Oc2cc(NC(=O)c3nc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc(C(C)C)c1 2069014 GJOOTCCIAIEYPO-UHFFFAOYSA-N 576.535 7.195 5 40 KKBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)ccc12 2149615 ADBFLSHTZIOUJG-MHZLTWQESA-N 523.541 5.398 5 40 KKBB biogenic Cn1c2ccccc2c(=O)c2cc(NC(=O)CCCCCCCC(=O)Nc3ccc4c(c3)c(=O)c3ccccc3n4C)ccc21 5615554 SZZUCXYLEAQFBF-UHFFFAOYSA-N 600.719 7.005 5 40 KKBB COc1ccc(N2C(=O)c3cc(I)ccc3N[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 8432165 HGYNTTBFWICFSI-XMMPIXPASA-N 567.339 6.239 5 40 KKBB COc1ccc([C@H]2CC(c3ccc4c(=O)n5c6ccccc6nc5c5cccc3c45)=NN2c2ccccc2)cc1 8856703 CVOZSTDJJVKERB-WJOKGBTCSA-N 520.592 6.956 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 103546910 CELMTJHKWOYMKC-YQQRZDPSSA-N 600.587 5.749 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1 103783997 CNMXRIKTRHXXJC-XNENXQGPSA-N 584.672 6.381 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 105306200 GKDMLZKZDHXZTK-UHFFFAOYSA-N 557.676 6.321 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1 106745432 PJSNXPOJRGEBOE-XKZIYDEJSA-N 602.406 6.024 5 40 KKBB CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC(=O)C[C@H](COC(=O)C[C@H](C)CCCCCCC[C@@H](C)CCCC(C)C)CO[P@@](=O)(O)OCC[N+](C)(C)C 150343594 MCQUNSGKFVLGIP-YPCRUNQNSA-O 831.278 13.629 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163625094 STEGEYYNQPWXQZ-RWTNITNYSA-N 740.913 6.383 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222693060 IUVPUQXGCGJBPN-QFIPXVFZSA-N 645.178 5.401 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223530781 RHVFECYNXRQJDH-FQRUVTKNSA-N 554.043 5.190 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224291201 HTCYTZZPHHYOKW-NDEPHWFRSA-N 613.136 5.310 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224384872 QUWADFLCQRJVGI-GDLZYMKVSA-N 640.734 5.112 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224489745 DQACUDNJKFTCNT-RUZDIDTESA-N 574.461 5.455 5 40 KKBB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)/C=C/c5c6ccccc6cc6ccccc56)CC[C@]4(C)[C@@H]3CC[C@@]12C 253502972 HWPKACQLFFCDBD-LGXHHYEHSA-N 616.930 11.959 5 40 KKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccccc1Cl 408541196 BXMKRYHFQPZJTM-HJWRWDBZSA-N 540.741 6.297 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 408575088 VZUSMOQVDZBSNC-AREMUKBSSA-N 682.424 8.132 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1Oc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408615147 MOELYWXLSCFPPC-UHFFFAOYSA-N 582.034 6.192 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Cl)cc1 408686259 RFLIQLOSWSMONU-WVZRZZCNSA-N 686.546 5.935 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408688153 VVFPJWYWPIMCGV-BYVQZYKMSA-N 571.589 5.036 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408690107 ZRKZAZMNMHJYGI-QYVZARNFSA-N 563.997 5.698 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4ccc5ccccc5c4C3=C[C@@H](c3ccc4c(c3)OCO4)[C@H]2C1=O 408733098 WBWJQNBYRMLQGM-MTBQCCFUSA-N 574.545 5.307 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(F)cc1 408777346 YXUJVUCUHZAVJN-HGGMLFSRSA-N 684.749 6.970 5 40 KKBB COc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)c([N+](=O)[O-])c1 408825566 DVPJRIWZOVPLSO-LCQSEVKBSA-N 567.648 5.557 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408870101 RUTYQVBVQQGHFL-QRVIBDJDSA-N 603.878 7.225 5 40 KKBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O 409009512 APTSOTROCXOQJB-MQMKENTISA-N 579.425 5.323 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 409141218 JBQULYQBYSUOBN-NTNOMAAHSA-N 691.835 6.525 5 40 KKBB CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n21 409158923 YMWQKMDTZHAPTN-XQNWCSQWSA-N 587.654 5.064 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409228963 HSUUEJGOZKBYQQ-YDZHTSKRSA-N 566.408 5.736 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409239269 PCCKXKRXJRYSCU-WSDLNYQXSA-N 507.930 5.237 5 40 KKBB CC[N+](C)(CC)CCSC(=O)Nc1ccc(Cc2ccc(NC(=O)SCC[N+](C)(CC)CC)cc2)cc1 5046355 WUCCZRIGAVNWLS-UHFFFAOYSA-P 546.847 6.780 5 40 KKBB O=C(Nc1ncc(Cc2ccc(SC(F)F)cc2)s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12524356 OLZOKLZPAORNRR-UHFFFAOYSA-N 504.584 6.199 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccccc5COc5ccc(F)cc5F)nc34)c12 13644215 BZZCYCZOCNLHHS-UHFFFAOYSA-N 509.488 6.657 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C 100357754 ANUVNPWPCPQFAG-ZVHZXABRSA-N 533.562 5.166 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(OCc3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cc1)[C@H]1C=C[C@H]2C1 100390350 WWDNHBZCYPEPSQ-WBYKHBECSA-N 516.937 5.931 5 40 KKBB O=c1/c(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 104659385 ZVZRFEFZAZYDGF-FATJQOLTSA-N 571.658 5.806 5 40 KKBB O=C(CSc1ccc(NC(=O)/C(=C\c2ccc(-c3ccccc3)o2)NC(=O)c2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1 113482537 VXPWMQBSKKYABZ-MWAVMZGNSA-N 618.671 6.995 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C1CC1)C(c1ccccc1)=N2 150431303 ZPKYBILEBDSOLQ-HUESYALOSA-N 646.486 6.728 5 40 KKBB O=C(COc1ccccc1)NCc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(F)cc2)n1-c1ccc([N+](=O)[O-])cc1 150447568 HGCAMEUNSVUWFY-MHZLTWQESA-N 671.736 5.541 5 40 KKBB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 150462372 YNZOZJAUIPXSIW-NXVZURFXSA-N 624.451 6.541 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 211057337 FQKYKTCJBAUBTI-XHLNEMQHSA-N 549.608 6.728 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(I)cc1 215192476 STVGGVLCTGEYDD-UFFVCSGVSA-N 705.246 8.010 5 40 KKBB O=C1[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 222311493 ALEUGCUNZUDMMI-SSVHHLKVSA-N 527.374 5.781 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223737752 POMRJJOQGDFXGX-QFIPXVFZSA-N 643.162 5.237 5 40 KKBB C[C@@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2Cl)C1 224140367 JFOZYGXJNYIJSE-YFGXVBGTSA-N 587.149 7.093 5 40 KKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224719347 JFFITLMHZLXMQG-NDEPHWFRSA-N 645.178 5.340 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC4CCCC4)cc3)o2)c1 225383966 VYWRMYKBGQWSCY-IZLXSDGUSA-N 526.618 6.748 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260939164 RPMIOSXLTZGSJP-UUWRZZSWSA-N 689.234 6.533 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 260962567 YULLBFNOPQBAJM-MGBGTMOVSA-N 642.778 5.511 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(Cl)c(Cl)c2)cc1 408542735 ADXARZWNZBUFSF-UHFFFAOYSA-N 508.383 5.352 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 408565334 BRUAHZMSNMFQAJ-XMMPIXPASA-N 587.471 6.483 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 408567076 GHTHOBDFPGCDNP-SANMLTNESA-N 538.601 5.811 5 40 KKBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(c4ccc(Cl)cc4)C(=O)[C@@]3(c3ccc(Cl)cc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])c1 408723679 ZTGOOSJWOAEYAV-ZSAJNUMDSA-N 685.563 8.399 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408728946 BDOBQJWAICMHAU-TZUCAZQYSA-N 779.463 7.071 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408831544 VZEQAMVXZHLHIC-LRAMOIDDSA-N 668.522 5.055 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc2ccccc2c1 408917447 UQELHPSUCILVDX-JVWAILMASA-N 666.493 7.567 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCCC6)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl 408990327 KOTGHRYKUGHDBV-UHFFFAOYSA-N 660.202 8.908 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c2=O)=N1 409035418 JTOMORSWKYLBKJ-LCQSEVKBSA-N 682.549 5.526 5 40 KKBB COc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 409117910 YCGIUZPKFSWROV-PGUFJCEWSA-N 733.446 9.613 5 40 KKBB CCn1c(SCC(=O)Nc2cc(C)c(C)cc2Br)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409137918 YOLWNFAZDQJGKV-JOCHJYFZSA-N 589.516 5.443 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 409176763 XATGUYPZNZLXNI-UHFFFAOYSA-N 555.384 7.722 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc2ccccc12 409271563 VBHYFDUGWJMXOU-STBIYBPSSA-N 568.607 6.645 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409275629 KUOZLVOIUGVJCT-AFUMVMLFSA-N 563.544 5.400 5 40 KKBB Cc1ccc(Cl)cc1-n1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)c(C)nc21 2364199 SPBQEAXWYUTUPL-UHFFFAOYSA-N 500.389 6.256 5 40 KKBB O=C1OC(c2cccc(I)c2)=N/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 3011722 OTBSSWUUZAZGRB-VCHYOVAHSA-N 557.256 5.244 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1 13805862 FVWZUVLOVQAJFF-HJOGWXRNSA-N 507.930 5.088 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 96022734 CSEVLRDDKRAYBV-AMDUHLOVSA-N 612.599 5.685 5 40 KKBB Cc1ccc(Sc2ccc(-c3nnc(-c4ccc(COc5ccc6ccccc6c5)cc4)o3)cc2[N+](=O)[O-])cc1 97982540 NOUBFPWDQOFVRR-UHFFFAOYSA-N 545.620 8.504 5 40 KKBB C[C@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc4oc5ccccc5c4c3)CC2)ccc1[N+](=O)[O-])c1ccccc1 98043327 MBEXQGHGNGMBSR-NRFANRHFSA-N 556.644 6.178 5 40 KKBB C[C@@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-])c1ccccc1 100308823 BLAKCWSWWVXMHK-QGZVFWFLSA-N 535.453 5.586 5 40 KKBB O=c1[nH]n(C2CCCCCC2)c2nc3c(oc4cc(O)ccc43)c(-c3cc4cc5c(cc4nc3O)OCCO5)c12 101407828 RYRIWEQYYHPZJK-UHFFFAOYSA-N 538.560 5.917 5 40 KKBB O=[N+]([O-])c1ccccc1SN[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl 102580404 VURUKHBYKDGOFF-ZDUSSCGKSA-N 530.684 5.637 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C2=O)cc1 102859619 MTYNENLYGAFTQZ-CHQNGUEUSA-N 623.618 5.663 5 40 KKBB O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 102963552 BDOZLRVMFRZPEA-UHFFFAOYSA-N 598.125 6.282 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cc([N+](=O)[O-])ccc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1 104656838 VRBJLGOZCBDMDZ-OBDCIHEFSA-N 596.064 6.149 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106722364 CVRGZEKNSYTAIA-CFRMEGHHSA-N 503.967 6.488 5 40 KKBB COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 113633562 OJHAHLXKLOCWKE-HXUWFJFHSA-N 539.654 5.282 5 40 KKBB Cc1ccc(N(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 195530761 INBSKBUAAJTFLE-PLMTUMEDSA-N 508.040 5.001 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215178301 MBQSQBHICJRTKI-NUGSKGIGSA-N 524.938 5.792 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224789812 ZIVCEEJPYCEOLN-IHLOFXLRSA-N 625.688 7.495 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 225147122 HKXQEHJCXGXGRZ-CLJLJLNGSA-N 562.051 6.675 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225338904 RFFVBCDGAWKPBD-DHUJRADRSA-N 767.732 7.503 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccccc1Cl)[C@]21C(=O)Nc2ccccc21 248336076 NWWPPZXHZYEGEJ-CTMYTVLESA-N 590.035 6.494 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260986231 BVXUPMDGCDSJRO-SFRLIIPVSA-N 707.249 6.315 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408567273 QSLAEPBAOGXIEP-FMKKUFMPSA-N 523.589 5.386 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1C 408571538 OWJWHWJDWGSCEL-RUZDIDTESA-N 598.479 6.552 5 40 KKBB COc1cc(/C=C(\Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408632528 QXKKKHOIJVTMAY-FMCGGJTJSA-N 568.995 5.847 5 40 KKBB CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408639583 GAMKVEWEXPPOSC-IBGZPJMESA-N 526.332 5.217 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408645181 HQSMAYKIQCTDOF-YASBFDIKSA-N 684.104 7.173 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1)c1cccc([N+](=O)[O-])c1 408655512 KWXBCQMULGOGOL-WPSKXCBGSA-N 627.436 5.732 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccc(Cl)cc4)C(=O)[C@@]3(c3ccc(Cl)cc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])c1 408722684 CRGABZKCZSSLBT-HOSOATPESA-N 701.562 8.099 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 408728282 JHUVQIZXVTXHQM-TUUBTQOTSA-N 633.090 5.767 5 40 KKBB O=c1/c(=C\c2c(OCc3ccccc3)ccc3ccccc23)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408828406 MZMQGHKXGSQCBA-NSFGRKQPSA-N 621.718 6.959 5 40 KKBB COC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 408933468 AXTDVEDXNILQCU-FJNIOPPGSA-N 643.121 5.290 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409079599 LDVRIBWRWCJWLZ-BIWBSIMWSA-N 666.575 5.629 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409083882 OUJVUGRMGPEPLU-KAEGSSFASA-N 687.572 5.481 5 40 KKBB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409092245 UMJXCAWXNOLBDV-BKUYFWCQSA-N 609.340 6.431 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)cc1 409151915 CQMAJRWRZFSHAK-UUYOSTAYSA-N 507.524 5.155 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409229589 ROEFTTXJOGYTCX-WSDLNYQXSA-N 599.381 5.188 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl 409364720 YIPSCNVREYMJCB-HXUWFJFHSA-N 531.038 5.108 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409374792 ZKQFSJJYEUHWSC-CVKSISIWSA-N 575.643 6.173 5 40 KKBB CCCC[C@@H](CC)COc1c2sc3cc([Sn](C)(C)C)sc3c2c(OC[C@H](CC)CCCC)c2sc3cc([Sn](C)(C)C)sc3c12 1776011001 OXHUOTZHJDVCGX-QKWSRDPGSA-N 884.516 12.826 5 40 KKBB C[C@@H]1CCc2c(sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2-c2nc3ccccc3s2)C1 3200414 SDJYCABGOQJHSL-CYBMUJFWSA-N 505.646 7.525 5 40 KKBB Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 12500345 USMXNXYURKGOAF-UHFFFAOYSA-N 508.528 5.663 5 40 KKBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 14275326 JIAKCZOLGONEQR-UHFFFAOYSA-N 503.392 6.305 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccccc1Sc1ccccc1 19856265 OCZDAJDBFUDDFX-UHFFFAOYSA-N 519.604 5.580 5 40 KKBB O=C1C2=CCc3c4c5c6c(ccc5c5ccc(c2c35)C(=O)N1c1ccc(Cl)cc1)C(=O)N(c1ccc(Cl)cc1)C(=O)[C@H]6C=C4 100053423 OSSFEQGQGMWJKV-SANMLTNESA-N 613.456 7.724 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 102450480 DZKLALZBEYYUJL-QZMHYXCESA-N 602.427 5.412 5 40 KKBB Cc1c(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)cccc1[N+](=O)[O-] 102658337 DIVQYLRIROALKE-PRLWALMFSA-N 551.649 5.857 5 40 KKBB C=Cc1c(C)c2cc3nc(c(CC(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C 105096680 LXSAEOQFNKQCFM-RDPSFJRHSA-N 638.765 7.258 5 40 KKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 105303875 RMMKTLNQOIGRQY-FNORWQNLSA-N 565.866 6.052 5 40 KKBB COc1cc(OC)c(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3cc(Cl)c(OC)cc3OC)C2c2cccc([N+](=O)[O-])c2)cc1Cl 150406503 CLTBJUHMRWPWIW-UHFFFAOYSA-N 657.507 6.448 5 40 KKBB O=c1oc(=O)c2c(Oc3ccc(Br)cc3)cc3c(=O)oc(=O)c4c(Oc5ccc(Br)cc5)cc1c2c34 150612500 OCBQDODZKXCJHR-UHFFFAOYSA-N 610.166 5.758 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(OS(=O)(=O)c5ccc([N+](=O)[O-])cc5)cc4)c(=O)n31)c1ccccc1CC2 163208430 VAFKNPLTILDETB-UTAOYMJKSA-N 651.722 5.003 5 40 KKBB O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163225452 BUMXSRDPLWUFSN-SELCLYCASA-N 681.524 6.690 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 163665472 AAFUKNNEARYZQF-ALUWMOPFSA-N 755.556 5.195 5 40 KKBB O=c1/c(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 163770218 RZKPEMCDYVFLKX-VEQPPNEOSA-N 798.340 8.638 5 40 KKBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1 224647797 GEWVRSWGOBTPDO-WDYNHAJCSA-N 533.613 6.750 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225319285 YHBGDAYLRZICGE-MGBGTMOVSA-N 642.778 5.655 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260995626 QROSBIBSBMHPKR-DCFHFQCYSA-N 635.570 5.819 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261001727 FJAUAGKUKCYHCP-IANOAQMISA-N 776.139 7.622 5 40 KKBB O=[N+]([O-])c1ccc(S(=O)(=O)N=P(O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1 334157851 JTAIFNPNMWUTPE-UHFFFAOYSA-N 503.256 5.687 5 40 KKBB O=[N+]([O-])c1cccc(NCc2cc(Br)cc(Br)c2OCc2ccccc2Cl)c1 408557106 MDEJFELSKBESTF-UHFFFAOYSA-N 526.612 6.964 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)[C@H]1CCCN12 408563337 AFLPHRQSCASXGN-RAKSCHNQSA-N 524.404 5.627 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1 408566209 FBRFCXMMVCRUDQ-VWLOTQADSA-N 557.047 6.764 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408566239 NJKRJMDAHKLERR-RBYFDUNASA-N 554.430 5.636 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl 408567570 GWNYNHMCPRQDDR-DEOSSOPVSA-N 621.916 7.219 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc2ccccc2c1 408570366 LDTUOSVOCCRIHM-GDLZYMKVSA-N 558.635 6.956 5 40 KKBB CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCC2 408630178 OUSXRBIQDYKMTE-UHFFFAOYSA-N 608.094 5.126 5 40 KKBB CC(C)(C)c1ccc(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1 408984850 NCWFUYIOBCWZAH-UHFFFAOYSA-N 503.605 6.595 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409169109 ORWDHFRGQUFHAH-BKUYFWCQSA-N 534.550 5.083 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 409176503 PLLCXOPLKNYQTF-SANMLTNESA-N 551.467 5.085 5 40 KKBB COc1cc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409191836 OKHBGVMDONDZHF-RZJANAMFSA-N 534.908 5.229 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O)Nc1ccccc1Cl 409240767 HTOQJXXKFWUEPB-SRZZPIQSSA-N 577.924 6.734 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O 409271089 IXHSCEDQCDSKAV-WSDLNYQXSA-N 573.505 6.090 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 409353286 IOCVZELXHTWCRK-CYBMUJFWSA-N 537.429 5.043 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)o1 409386062 NYPGCMHIYZWHJJ-SRZZPIQSSA-N 620.377 5.395 5 40 KKBB CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 2361515 BCIDEZJJPXJZAJ-UHFFFAOYSA-N 517.633 7.219 5 40 KKBB O=c1c2cc3c(=O)n4c5ccccc5nc4c4ccc5c(=O)c6cc7c(=O)n8c9ccccc9nc8c8ccc1c(c6-c2c5c34)c78 4016078 TZPAIYJYWLCONN-UHFFFAOYSA-N 590.554 5.942 5 40 KKBB CC(C)(C)c1ccccc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 51103477 MDYGGEPPAJCCRX-UHFFFAOYSA-N 528.556 6.981 5 40 KKBB O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 102877148 FHJDUXIIMCMZBY-VJGNERBWSA-N 604.402 6.172 5 40 KKBB CCOC(=O)c1c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCN(Cc1ccccc1)C2 102926387 CEEDODZKCDOTFX-UHFFFAOYSA-N 559.069 5.172 5 40 KKBB O=C(COc1ccccc1F)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 102975387 CUGWAOBSKLDCJW-USEOWCDNSA-N 530.512 5.844 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 103628891 TXIRARWKKXIPRZ-URNDUTATSA-N 583.472 5.533 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2=O)=N1 104676702 ZSMKUPFMKCWGKT-PKYOQBLNSA-N 620.127 6.524 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1C 105306131 LUPKIBMCTICYMS-UHFFFAOYSA-N 529.622 6.137 5 40 KKBB O=C1[C@H]2Sc3[nH]c(=O)sc3[C@@H](c3cc([N+](=O)[O-])ccc3OCc3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Br)cc1 150413723 DPQPFEIYZXENAY-XJUOHMSHSA-N 658.939 6.135 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)ccc1Cl 150490621 AEXRENDNHQHIEO-QFEZKATASA-N 626.112 6.950 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224295810 KCSUBTUBDXYGJR-WJOKGBTCSA-N 663.196 5.998 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225339243 OYBULYLXDHZDFB-LJAQVGFWSA-N 701.242 6.025 5 40 KKBB Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 229888207 WKTLZZXWTWDBJT-YUAOJYLXSA-N 555.590 5.759 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl 408571566 OZWYEKJXLZKGHH-HSZRJFAPSA-N 607.889 6.828 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 408625049 WEDQEZZWIZEOMT-BMPBIMJCSA-N 697.143 7.454 5 40 KKBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408666437 PPSCCHARBQNSFG-YYGQYSBSSA-N 722.192 6.121 5 40 KKBB O=[N+]([O-])c1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)ccc1Sc1nc2ccccc2s1 408991154 NABCXRQQBJHLMF-UHFFFAOYSA-N 506.634 7.002 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 408994552 HZEAYMDIGVKFLM-HNVAQCFTSA-N 724.773 6.275 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409000280 YHPIPPNQTRVVPE-DGVSTJFLSA-N 774.924 8.690 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409043897 FTTDCGKUZHWFPX-LMWPEEHHSA-N 939.519 5.445 5 40 KKBB CC(C)CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)c2ccccc21 409109529 GSSUEUVINQCXMU-UCQKPKSFSA-N 507.384 6.480 5 40 KKBB CCCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3ccc(F)cc3)c(=O)c2c1C 409121479 XGMQRLJXFSXZMC-UHFFFAOYSA-N 523.533 6.925 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409135318 YICLNAHKRBKSNT-OEAKJJBVSA-N 622.481 6.794 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409144238 DXTUYLZHLPRGIY-ZMOGYAJESA-N 575.481 6.952 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409165910 AQDZKBRRQCSTOS-UHFFFAOYSA-N 663.105 5.339 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O 409182405 LPBDZCAFBXUBAN-PMERELPUSA-N 556.530 6.330 5 40 KKBB Cc1cccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)c1 2313197 FVJSDGAESYHBOB-GDLZYMKVSA-N 539.599 7.193 5 40 KKBB O=[N+]([O-])c1cnn(Cn2nc(-c3cccc(Br)c3)cc2-c2cccc(Br)c2)c1 2733325 NLONYKNYGXBTKV-UHFFFAOYSA-N 503.154 5.353 5 40 KKBB C[C@@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ncc(Cl)cc1Cl 3340987 RVKYVQZHWJMUPA-LLVKDONJSA-N 560.337 6.651 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C(C(=O)OC(C)C)=C(C)N=4)o2)c([N+](=O)[O-])c1 3771187 SQQXQJLMLFCUHL-ZSJKCPIUSA-N 594.045 5.017 5 40 KKBB CC(C)(c1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1)c1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 4017322 UAGPQWZIDUXYNY-UHFFFAOYSA-N 684.293 7.792 5 40 KKBB COc1ccc(C[C@@H]2c3cc(OC)c(OC)c(OC)c3CC[N+]2(C)C)cc1Oc1ccc(C[C@@H]2c3cc4c(c(OC)c3CC[N+]2(C)C)OCO4)cc1 82190246 AQJUOAPVBUCVAX-KKLWWLSJSA-N 712.884 7.083 5 40 KKBB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c3cc(C)ccc3n2)cc1 97945609 RUZZQLUUUUGMHP-UHFFFAOYSA-N 532.552 7.259 5 40 KKBB CCOC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 97982725 DVNQHXDXGOHNEX-UHFFFAOYSA-N 564.041 5.418 5 40 KKBB CCN(CC)c1cccc(Oc2cc(NC(=O)c3cc(I)cc(I)c3I)cc([N+](=O)[O-])c2)c1 98001241 OLLLDWCIBHXHJB-UHFFFAOYSA-N 783.142 7.299 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1Cl 100300303 KQPAMVSXBLKVHY-UHFFFAOYSA-N 523.304 6.115 5 40 KKBB O=C(NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105311220 WJJNABBILRHDQP-UHFFFAOYSA-N 537.001 5.569 5 40 KKBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccccc1Br 106730969 XNCXVGKMSKDMDQ-ODLFYWEKSA-N 512.341 5.781 5 40 KKBB Cc1c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1Cc1ccccc1F 106745464 QKDAJBPZMUWUKJ-QFEZKATASA-N 501.539 6.282 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5OC)o4)c(=O)n32)c1 111468519 HUJCAOZJPBOZQT-JLKMOJGBSA-N 622.659 5.059 5 40 KKBB COc1c2c(cc3c1[C@H](CC(=O)[C@H]1CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]14C)[N+](C)(C)CC3)OCO2 118920374 ZZXJOMSIUOUAHV-GPYLCJDESA-N 550.760 5.997 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 150385984 ROVBRPVMEXBEMK-SRZZPIQSSA-N 622.266 7.074 5 40 KKBB O=c1/c(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 163770405 LTYJFFLJOAFIGK-XDYZZPCYSA-N 684.999 7.222 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c2=O)=N1 164186931 ZYKMPHRTJINMBU-PLMBTIQCSA-N 674.688 5.204 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222918906 MYHMGVUOXWJHBB-JGCGQSQUSA-N 697.641 6.509 5 40 KKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1 224507194 VUAJIIRKHUROQR-GOTSBHOMSA-N 520.412 5.720 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225330345 VAGGJNRKTJMQLI-LJAQVGFWSA-N 580.150 6.570 5 40 KKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 225379427 GDCGRAYAFBNROG-NSOVKSMOSA-N 526.618 6.748 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 225556503 CLJFJNFOGPOIPX-VSGBNLITSA-N 540.649 5.344 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 408569939 KHSZBMWMGUTVTH-WJOKGBTCSA-N 584.698 7.215 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408646348 ITGLOJQMVMOFPG-HSZRJFAPSA-N 581.537 5.741 5 40 KKBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccc(Cl)cc2Cl)cc1 408680844 HCBFZQBHNOCLNY-QFIPXVFZSA-N 506.363 5.508 5 40 KKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1NC(=O)c1ccccc1C(=O)c1ccccc1 408710450 FILNDZHGSISVLR-UHFFFAOYSA-N 533.500 5.380 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)S2)cc1 408779365 VORQJTUWAIVEPG-AOLPSBPOSA-N 619.335 6.861 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408833174 WGFFSYRIJOAVEI-MFUBYVTQSA-N 674.997 5.603 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OCc5cccc([N+](=O)[O-])c5)cc4Br)c(=O)n32)cc1OCC 408936162 FRDWEERJUSJNEH-FZGKPRDBSA-N 724.586 5.074 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c2=O)=N1 409034848 IGJKPDOSJGBVHN-DXUGRCAZSA-N 736.641 6.236 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)c2=O)=N1 409038973 GBUPPRUBNUGRNH-LMSRTUJASA-N 624.502 5.592 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1 409151170 AKGWPWCTWPTMBZ-SRZZPIQSSA-N 579.350 7.405 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccc1C(F)(F)F)C2=O 409178043 DNWYVBBCXJKJEF-SANMLTNESA-N 574.467 6.195 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1Cl 409182948 PGVFPBFNXZZGSI-LSHDLFTRSA-N 591.951 7.043 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 409332276 HISMZPBGPLGCJO-SZYVSPPHSA-N 675.075 6.097 5 40 KKBB COC(=O)C[C@H](O)C[C@H](O)CCN1C(=O)[C@@](C(=O)Nc2ccccc2)(C(C)C)c2c1c1ccc(F)cc1c1ccccc21 504809001 CQAZGMYTSSOJAZ-JJJRTKIYSA-N 586.660 5.076 5 40 KKBB in-vitro CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c12 6600328 NNWLPOUSAZPGNC-UHFFFAOYSA-N 545.042 6.448 5 40 KKBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 13526863 VNUQCOCQWYGQSL-VIFPVBQESA-N 513.778 5.268 5 40 KKBB COc1ccc(-c2nn(Cc3cccc([N+](=O)[O-])c3)c(-c3ccc(OC)c(OC)c3)c2Cl)cc1OC 22834239 GYQRLYGXGFPZCK-UHFFFAOYSA-N 509.946 5.861 5 40 KKBB CC(=O)c1sc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@H]3[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C 33772266 VQHGVWZSTQADDM-DCCCRTOHSA-N 517.567 6.272 5 40 KKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCCC2)ccc1OC(C)C 79192586 VYBWSDQNXQMJHU-UHFFFAOYSA-N 515.610 7.078 5 40 KKBB biogenic O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2)Nc1cc(Cl)ccc1[N+](=O)[O-] 97979709 IHHVXVULHIGDCU-BOPFTXTBSA-N 557.946 5.807 5 40 KKBB Cc1ccc(C(C)C)c(Oc2cc(NC(=O)c3nn4c(c3Br)N[C@H](c3cccs3)C[C@H]4C(F)(F)F)cc([N+](=O)[O-])c2)c1 97999640 LSUWMYCXWOUUCL-REWPJTCUSA-N 664.504 8.752 5 40 KKBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 100575702 ZKOVLWMLDVACNE-UHFFFAOYSA-N 525.930 5.532 5 40 KKBB O=C(O)CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccc(F)cc1 102884036 BPZSCUTZVAHZRY-SONOPUAISA-N 529.524 6.149 5 40 KKBB CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 102974104 PWBCNOWNLUBNBZ-SONWIMMPSA-N 582.407 5.075 5 40 KKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105311302 YRVVIMQZDXAWAS-UHFFFAOYSA-N 530.587 6.267 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 106739301 RKBYEGIKCFCTPC-ROTLSHHCSA-N 548.617 5.962 5 40 KKBB O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 108504358 OCBCQJPNHGJRFF-XMHGGMMESA-N 575.537 5.768 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc(OC)c1 111469847 HPGUUTJVIMWQEU-ZHGFHMGHSA-N 607.644 5.112 5 40 KKBB O=C(Nc1cccc2c(=O)c3c(ccc4c5ccc6c(=O)c7c(NC(=O)c8ccccc8)cccc7c(=O)c6c5[nH]c43)c(=O)c12)c1ccccc1 150344658 WZSLDJBBPHUGJT-UHFFFAOYSA-N 665.661 6.755 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccccc1F 150440708 YEBMZNYYRBEQAI-NHDPSOOVSA-N 622.266 7.074 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)o1 223994062 WODVRCSOQNNLPJ-FTJBHMTQSA-N 529.578 5.394 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225697823 GIGLOLYAAZCYFX-AOMKIAJQSA-N 526.486 5.857 5 40 KKBB COc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 408526894 CBCYXIRHQOJQKQ-UUWRZZSWSA-N 634.714 7.078 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408564952 GTWVSJORXOCCFF-OTGIWPJISA-N 570.415 5.088 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)cc1C 408573009 SDSANKNDQGDHAO-RUZDIDTESA-N 527.021 6.674 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408639317 FNIRWUIYZDQOSZ-UHFFFAOYSA-N 721.720 7.617 5 40 KKBB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@@H]12 408720257 KLPQNXYFYHXWMR-ITWZUIQWSA-N 536.584 5.709 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3c(O)ccc4ccccc34)c2=O)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732046 OMTQCHKIACTWTR-UHSYMONFSA-N 665.724 5.652 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408984919 NINSMTKUWFXOOA-KMCFWPMWSA-N 686.573 6.730 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409041342 ZWZDRSMOACTTQB-PGNBASISSA-N 857.676 5.239 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 409094669 FTECEZDZCLWFGO-OGMUYLFESA-N 661.180 5.643 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409107136 VGDGAFCEEKNSDZ-QPJBPQEWSA-N 591.089 5.234 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OCc3ccccc3Cl)cc2)N1Cc1ccccc1 409113949 HVBSFLHMMFBIAK-UUWRZZSWSA-N 590.079 8.189 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409149611 LARFLUOFOREINO-PIXWUVMMSA-N 724.659 5.816 5 40 KKBB Cc1ccc(-c2csc(NC(=O)CCC(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)n2)cc1 409181314 AULQYTMQGHUQJG-MHZLTWQESA-N 529.574 5.913 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1CCc1ccccc1 409193161 DDWVZSBJVOBHOS-LPYMAVHISA-N 593.377 7.447 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 409194041 MRPLPEGXWPUXIM-XGLZOBASSA-N 723.620 5.958 5 40 KKBB COCCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409221204 MOEOUKBGHFRWNB-XDHOZWIPSA-N 507.362 5.009 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c1C 409270875 BGEJKXOHXXLSKQ-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc5ccccc45)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409355392 CFKGYZCOECAPLU-GEYGMGCISA-N 742.648 6.908 5 40 KKBB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1Cl 1416735 MVGCTRPELILUJN-RQZCQDPDSA-N 511.339 5.080 5 40 KKBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(-c3cnc4ccccc4n3)c1)C2=O)c1cccc([N+](=O)[O-])c1 1875358 CNNOKXNOWGZSAC-UHFFFAOYSA-N 558.506 5.045 5 40 KKBB CCCc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N2C=C(Cl)C=C(Cl)C2=N3)cc1 3309707 GNKFKVDVPSJTLG-MUUNZHRXSA-N 590.898 8.705 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 34703314 WTCSQFIIUQPWLP-UCNGGQBMSA-N 507.924 6.963 5 40 KKBB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 59364924 GGAIQTRYBKBRQU-UHFFFAOYSA-N 507.622 6.104 5 40 KKBB O=C(COC(=O)c1cccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1)c1cccc([N+](=O)[O-])c1 97948411 BMGGBNJMLXHZTQ-UHFFFAOYSA-N 568.152 6.049 5 40 KKBB Cc1ccc(Sc2ccc(-c3nnc(-c4cc(-c5ccc(F)cc5)nc5ccccc45)o3)cc2[N+](=O)[O-])cc1 97982541 MPCBHGATHVLNFT-UHFFFAOYSA-N 534.572 8.126 5 40 KKBB CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 100080802 BMGQWWVMWDBQGC-OHQSDDPESA-N 570.649 5.907 5 40 KKBB CCCCCn1/c(=N\C(=O)/C=C/c2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101255197 CVXVRFCYMOMERN-KAKFTQMZSA-N 533.028 5.119 5 40 KKBB O=[N+]([O-])c1ccc(N=[P@@](c2ccccc2)([C@H]2CCCC=C2N2CCOCC2)N2CCN(c3ccccc3)CC2)cc1 102919377 FYXDJQFXSRYRLG-ANPIQPAYSA-N 571.662 6.259 5 40 KKBB CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2OC)cc1 106728106 UICDAIDOHCPIBX-MYYYXRDXSA-N 547.589 5.420 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 163227029 BSLJILFSUYVXTG-XGLZOBASSA-N 652.523 5.354 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2)cc1 224783865 GJOILVNRCHFORT-WDYNHAJCSA-N 594.678 7.017 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260880328 CKTFBFSEPWMEFC-HSZRJFAPSA-N 701.640 5.736 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 260943553 SKPXIKDHCWHKMF-GDLZYMKVSA-N 671.614 5.212 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O 260970960 JBXWDFZEELKVKP-GDLZYMKVSA-N 661.608 5.675 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408574447 UVGZCQFDJLRGLE-UEIHGBLLSA-N 607.288 5.912 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)n1-c1ccc(F)cc1 408575416 WESYZTPUIPMOTO-HSZRJFAPSA-N 577.863 6.820 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1 408575900 WZTJHSJWZGXOMY-RUZDIDTESA-N 662.404 7.497 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408613642 ZEUPDFWPEGMZQF-UHFFFAOYSA-N 502.321 5.855 5 40 KKBB O=C(O)/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408631736 BJGIABQNYQBKJQ-BKUYFWCQSA-N 508.943 5.830 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)c(C)c2)CC1=O 408672031 UWYOZCDNFQTXRF-FELOCJISSA-N 643.652 5.267 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Cl)cc1 408677838 CCHRHYDABNHRMT-RAWLKHAVSA-N 592.007 5.381 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408689676 YUXQUFGNZYEIQJ-UHFFFAOYSA-N 751.407 7.152 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)c(=O)n2[C@H]1c1ccc(C)cc1 408825331 IDTFOZYIBPDHDC-IPAKXIGBSA-N 678.561 5.365 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408830800 SXPQTJMYFGMVJO-AFHVAHMMSA-N 682.858 5.925 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917252 PUYFTKHLMMASSM-SRZZPIQSSA-N 560.371 6.625 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409064126 BTAHWEAUDYCFNX-SSDVNMTOSA-N 570.371 5.567 5 40 KKBB COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1[N+](=O)[O-] 409128993 TUBSDSCYZHWHDK-NDEPHWFRSA-N 524.533 5.873 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)ccc1Cl 409169935 RUFBUSCSEXLXLM-LSFURLLWSA-N 714.856 7.283 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O 409182793 OKNFXVWLJDVDNS-UHFFFAOYSA-N 596.901 7.217 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(Br)cc2CNc2ccc(Br)cc2)cc1 409198201 ZPYUTDMTWKVOSS-UHFFFAOYSA-N 571.063 7.073 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1Br 409335063 YSMMQMUIMASSDC-VXLYETTFSA-N 562.785 5.946 5 40 KKBB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 409343987 JMMSQXQKTCTBPK-IBGZPJMESA-N 571.874 5.541 5 40 KKBB Oc1c(-c2cc3ccccc3c3ccccc23)cc2c(c1-c1c(O)c(-c3cc4ccccc4c4ccccc34)cc3c1CCCC3)CCCC2 575629790 RBFFCMYYMCPORO-UHFFFAOYSA-N 646.830 12.469 5 40 KKBB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3O)oc2c1 8833327 NDBVYENTGDMWPA-UHFFFAOYSA-N 514.519 5.804 5 40 KKBB CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO[P@](=O)(O)OCC[N+](C)(C)C 16343119 SPJFYYJXNPEZDW-YMVLYFQPSA-O 520.668 5.544 5 40 KKBB biogenic,in-vitro Cc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CN2N=N[C@@H]4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)[C@@H]42)[C@@H]3c2ccc(C)cc2)cc1 102435510 MAJCDONOJJQSSW-IHMXTMLESA-N 617.666 5.328 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C(=O)N1Cc1ccccc1 102746287 HKAFWWXDHNSTMU-UODIDJSMSA-N 529.936 5.555 5 40 KKBB O=[N+]([O-])c1cc([C@H](Nc2ccccn2)n2nnc3ccccc32)ccc1Sc1nnc(Cc2ccccc2)n1-c1ccccc1 103763828 ADKAWDYNFPHBOF-JGCGQSQUSA-N 611.691 6.716 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 215184110 GPUBXUSYUSPOEI-GZIVZEMBSA-N 585.934 5.923 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(I)cc1 215221047 FMYGWMICZIXUDJ-LPYMAVHISA-N 572.380 6.015 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224989730 KROYFGFQUQBTJV-MHZLTWQESA-N 564.480 5.599 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 224996398 XRKPKUZKKZJGGD-URLMMPGGSA-N 573.122 6.847 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225090365 MYJXFHNBXULPPD-RUZDIDTESA-N 528.436 5.609 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225250199 PUKMRKAFGHXWPN-CVEARBPZSA-N 512.459 5.467 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1NC(C)=O 225333506 FTFVKADEGOWTPQ-IZZNHLLZSA-N 529.578 5.394 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225395529 ZWQRZRLFNCHLPB-UMSFTDKQSA-N 672.779 6.018 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 230023125 OYDUHNVBJBYTNM-CKPORNQBSA-N 620.459 6.339 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260920839 HTNJGCDXAGSWME-MGBGTMOVSA-N 786.145 6.935 5 40 KKBB COc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 408530970 SYSYXQPBGAYWOH-UMSFTDKQSA-N 634.714 7.078 5 40 KKBB COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408557426 NINPTQMHEKUASO-JOCHJYFZSA-N 627.800 6.341 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 408566023 DOWSUFUJMZATAX-DEOSSOPVSA-N 559.019 6.075 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1ccccc1 408568088 HPOXGRFPSYKWDI-HSZRJFAPSA-N 525.974 5.826 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccc(Cl)cc1 408571085 NKUFJHVUVQIXMV-HSZRJFAPSA-N 515.422 6.572 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 408573108 SMNQYTMSCDVZMR-VWLOTQADSA-N 543.020 6.456 5 40 KKBB Cc1cc(Br)ccc1-c1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1ccc3ccccc3c1)C2=O 408758197 WUMUHKWDBVFFLQ-UHFFFAOYSA-N 537.369 7.440 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409107139 VGDGAFCEEKNSDZ-QTTRZTASSA-N 591.089 5.234 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1Cl 409152311 DZGSMWHTRNYNJY-DHRITJCHSA-N 655.041 6.581 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409272908 IAQYOOWXRZMMFS-DEDYPNTBSA-N 546.966 5.265 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c1 409272939 IIAAJTLBEFJGPU-FSJBWODESA-N 505.552 5.763 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(I)cc1 409342715 GCVKAGADDODSHE-XKZIYDEJSA-N 615.405 5.453 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 409356675 HADDJRDJZJRNEE-NRFANRHFSA-N 579.510 6.069 5 40 KKBB c1ccc2c(c1)CCc1ccccc1N2p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 1911918474 IHKAGDONOHAQBC-UHFFFAOYSA-N 509.545 10.296 5 40 KKBB O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 2054734 XXLFVQBKTVPFFX-WOJGMQOQSA-N 510.256 5.402 5 40 KKBB CCOC(=O)c1c(Nc2ccccc2C(F)(F)F)sc(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1N 2557731 UGKAUCAWOPUFHC-UHFFFAOYSA-N 513.881 6.062 5 40 KKBB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cc2)cc1 3417304 YBRUGTDFIBUNHG-UHFFFAOYSA-N 517.611 6.607 5 40 KKBB O=c1/c(=C\c2cccc3ccccc23)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 58833933 UPUYQILOTAFOAH-PQRKSKNISA-N 515.594 5.380 5 40 KKBB CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C\C1=C(C)C[C@@H](O)CC1(C)C 85532089 ABTRFGSPYXCGMR-VXYMLTKGSA-N 552.887 11.743 5 40 KKBB biogenic,in-vitro Cc1cc2ccccn2c1C(=O)c1ccc(NNc2ccc(C(=O)c3c(C)cc4ccccn34)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 96022263 BPEHFGRLXPNSRD-UHFFFAOYSA-N 588.580 6.526 5 40 KKBB CCOc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc3sc4c(c3c2=O)CCCC4)cc1 97951587 KTBJFJCCLKKWMV-UHFFFAOYSA-N 536.635 5.364 5 40 KKBB CCOc1ccc(N=[P@](Oc2ccc(Br)cc2Br)(c2ccc(C)o2)C(C)(C)C)c([N+](=O)[O-])c1 97983396 WLWIJAJSIOKBSR-XIFFEERXSA-N 600.244 8.371 5 40 KKBB CCn1c2ccccc2c2cc([P@](=Nc3cc([N+](=O)[O-])ccc3C)(Oc3cccc(Br)c3)C(C)(C)C)ccc21 97984391 JDKHGPAXWVELLF-KDXMTYKHSA-N 604.485 9.744 5 40 KKBB Cc1ccc2[nH]c3c(cc(NCCN4CCN(c5ccccc5)CC4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 101016835 NVBJBFSRUQPERL-UHFFFAOYSA-N 530.628 5.483 5 40 KKBB COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 102628982 UQKSLBRYIUYXPL-UHFFFAOYSA-N 528.926 5.125 5 40 KKBB CCOC(=O)c1c(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)sc2c1CCCC2 102862081 GAKOOUXIFVPRHC-DSNGMDLFSA-N 561.616 5.071 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 105968835 VKXKTXOJGOMSOY-FMCGGJTJSA-N 545.400 6.726 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccn1 106739164 VZAKPPWBIQCVEG-MTJSOVHGSA-N 556.394 5.576 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 150395672 ZJCLUAHEKVLYTL-KMCFWPMWSA-N 651.766 6.443 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 163301364 GUVKSNNREQDAQM-FVUNBJOLSA-N 632.654 5.936 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1cccc2ccccc12 214947578 ZCKJXIBMNHVAGU-AFUMVMLFSA-N 550.514 7.796 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225341071 VPOXBBWPVZVCRX-PMERELPUSA-N 641.190 5.412 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 248342417 YEKSFGXTSXPVKO-YUAOJYLXSA-N 555.590 5.841 5 40 KKBB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1 408532493 ZBYSVKCYBCEGPI-UMSFTDKQSA-N 618.715 7.378 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 408571532 OVLNSSAQIOJXHJ-XMMPIXPASA-N 624.344 7.343 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)cc1C 408573028 SFLHCIKXMBYHLJ-RUZDIDTESA-N 509.031 6.535 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(Br)cc1 408575583 WPCFCXPWKDCNTM-XMMPIXPASA-N 555.454 6.036 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633925 NMOCWLVKYHXUEK-NDENLUEZSA-N 531.377 6.658 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)S2)cc1 408773314 HZPYTWFBXPQBLT-ZFWDJNJRSA-N 570.465 6.107 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl 409155008 PSFXEBAXEHLWSZ-JFLMPSFJSA-N 794.020 7.462 5 40 KKBB CCCc1nc2sc3c(ncn4c(SCc5c(Cl)cccc5Cl)nnc34)c2c2c1CCCC2 9463135 LSIQIHOXVUXAEA-UHFFFAOYSA-N 514.507 7.318 5 40 KKBB CC(C)(C)c1cc(C(=O)NCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1 10041913 FRHATIIXHPNCBV-NDEPHWFRSA-N 530.621 6.087 5 40 KKBB CC(C)(C)[C@H]1C/C(=C/c2cccs2)c2nc3ccccc3c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2C1 12657983 XXNWCALECOEGSK-LDETYFQJSA-N 512.631 7.711 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 20239048 PDSPUEXNRDNUDI-UHFFFAOYSA-N 517.563 5.008 5 40 KKBB CCc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nn12 21595715 CFANPGNXJFYLKO-ACCUITESSA-N 500.540 5.544 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5nn(C)c(C(F)(F)F)c5Br)nc34)c12 97945256 KSQXERPBHCOTLF-UHFFFAOYSA-N 518.269 5.315 5 40 KKBB O=c1oc2ccc3ccccc3c2cc1-c1cnc(N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)s1 97965230 SQWUQFQPOISLGK-WDOXXLSMSA-N 565.698 8.871 5 40 KKBB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(Cl)cc2Cl)cc1Cl 102936046 WAIKQMCBFACICK-UHFFFAOYSA-N 560.799 5.625 5 40 KKBB C[C@H]1CCc2c(sc3nc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4Cl)n(-c4ccc(Cl)cc4)c(=O)c23)C1 103055686 WDWCWEFVFUWWOB-ZDUSSCGKSA-N 575.499 6.518 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccncc1)[C@]21C(=O)Nc2ccccc21 103554621 ZMPULFICGYXEER-UHLQNUQBSA-N 556.578 5.236 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105308059 ARDRBYHNHDJMLA-UHFFFAOYSA-N 566.437 5.893 5 40 KKBB C[C@H]1N(C)c2cc(NC(=O)c3ccc(F)cc3)c([P@](=O)(Nc3ccccc3[N+](=O)[O-])N3CCOCC3)cc2C1(C)C 110551578 QTENFBVHLJQTCL-QNJPAKPISA-N 581.585 5.365 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1C[C@@H](C)O[C@H](C)C1)N(C)C(c1ccccc1F)=N2 150430573 QRHXIVUKFZQGFG-JVDJOHQMSA-N 666.492 7.112 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 222944940 HPXUWDHUMNTTIJ-SANMLTNESA-N 588.488 5.701 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224337812 OJOVLTXWLRNXIR-WJOKGBTCSA-N 632.714 5.096 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224905798 IUMRVQNROGHYOY-QGZVFWFLSA-N 538.497 6.001 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225545149 FNVMEDRTUDFUFH-JGCGQSQUSA-N 707.647 6.109 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260910233 KAQIFYKREYGWMU-PSXMRANNSA-N 767.732 7.503 5 40 KKBB CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]23O[C@@]2(C)C[C@H](O)CC3(C)C)C(C)(C)C[C@@H](O)C1 299888555 OFNSUWBAQRCHAV-KQQYUQCSSA-N 584.885 9.759 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(C)cc1 408571146 NVMSJRQZOLAJEH-JOCHJYFZSA-N 509.400 6.625 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 408575891 WZOBRPHMAIUBOA-XMMPIXPASA-N 630.477 5.953 5 40 KKBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(OC(F)(F)F)cc1 408602299 BNIBKRVJQIVHFB-VZUCSPMQSA-N 507.421 5.376 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408681305 HRGXSGZLGDSMHU-UHFFFAOYSA-N 785.852 7.805 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408732870 ABYBHBUBGGVNMR-UPWSPCOFSA-N 741.947 6.485 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733747 PSKTVRZEYUVTLM-ZJTZAHLKSA-N 571.655 5.398 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408734101 DBCQRAUVWGPGJO-FUFNRSNVSA-N 638.098 5.417 5 40 KKBB CN1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 408828145 VVAGOXXQBRIIKQ-NVNXTCNLSA-N 622.178 5.049 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)cc1 408831878 VWTSPNWPVOMWIN-WOSHRIRTSA-N 636.686 5.449 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1cccc(F)c1 408916663 FVKMYWVUYZUGLK-YDZHTSKRSA-N 542.972 6.602 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O)N1CCN(c2ccccc2)CC1 409008942 AODLUBZLYZYZSH-TWKHWXDSSA-N 608.676 5.712 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1Cl 409059260 MATUOMXKMBZJMM-MTJSOVHGSA-N 545.798 6.831 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 409082878 JWHQDRXLFJQXEL-KMBIYUNPSA-N 637.095 5.419 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccccc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409089904 PBPVVRDWJAZBKK-FHMSYZJOSA-N 619.168 5.816 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409095532 HZKWCAHZQPKXOY-MKWGYRPRSA-N 696.605 5.199 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c(C)c1 409176516 PUXTVZLNRQBOST-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409347577 MRNZOWRBFAGBHM-CVKSISIWSA-N 701.539 6.976 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl 409351780 AUYQVPDTNXMSPR-OAQYLSRUSA-N 545.065 5.416 5 40 KKBB Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1C 409384135 ADKUKGGZXVQWKN-OYKKKHCWSA-N 517.563 5.466 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)C2=O)o1 409384632 DXKMVSOWMNUDJJ-LSHDLFTRSA-N 603.403 5.561 5 40 KKBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1[N+](=O)[O-] 6280868 ZFBDCNHRCJBTRM-UHFFFAOYSA-N 524.400 5.644 5 40 KKBB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)CC1 8904409 RERCKRUZYJZWLG-UHFFFAOYSA-N 521.426 5.673 5 40 KKBB C[C@H]1CCC[C@H](NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)[C@@H]1C 12546356 FZXVXSHYLHIXTC-KHYOSLBOSA-N 506.550 5.986 5 40 KKBB CC(=O)c1ccc(NC(=O)c2sc3nc4c(nnc5ccccc54)c(-c4ccc(C)cc4)c3c2N)cc1 13283127 CGLJGKRNRXIUFD-UHFFFAOYSA-N 503.587 6.405 5 40 KKBB CCCCc1ccc(-n2nc3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3n2)cc1 21595206 HJCDYPIDLJJHMR-UHFFFAOYSA-N 505.987 6.792 5 40 KKBB Cc1ccc(Sc2ccc([C@H]3NC[C@H](c4ccccc4Cl)c4c3[nH]c3ccccc43)cc2[N+](=O)[O-])cc1 53356561 JPBHRXMBDJBGIA-RNWIMVQKSA-N 526.061 8.014 5 40 KKBB O=[N+]([O-])c1ccc(N=P(OC23CC4CC(CC(C4)C2)C3)(OC23CC4CC(CC(C4)C2)C3)OC23CC4CC(CC(C4)C2)C3)cc1 97983899 SOBHDGQCQTVWQJ-UHFFFAOYSA-N 620.771 10.129 5 40 KKBB O=C(Nc1ccccc1N(C(=O)c1ccc([N+](=O)[O-])cc1Cl)S(=O)(=O)c1cccs1)c1cc([N+](=O)[O-])ccc1Cl 97984896 WQURSAQMUPNCIX-UHFFFAOYSA-N 621.436 6.159 5 40 KKBB O=C(Nc1cccc(I)c1)c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)C2=O 98042830 YHBMZNCHOWRDAG-UHFFFAOYSA-N 621.412 6.404 5 40 KKBB Cc1c2cc3c(cc2c(C)c2cc4c(cc12)C1c2ccccc2C4c2ccccc21)C1c2ccccc2C3c2ccccc21 101011391 HSHXSUGJPYWWFI-UHFFFAOYSA-N 558.724 10.584 5 40 KKBB O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)N(Cc2ncc(-c3ccc(Cl)cc3)o2)Cc2ncc(-c3ccc(Cl)cc3)o2)cc1 102771267 ZFRVEVAMSGVQLR-FUFSCUOVSA-N 595.439 6.308 5 40 KKBB CCCCC[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC 102983934 QUHKMDJLJIBVDI-WFXXMJSASA-N 574.715 5.237 5 40 KKBB CCCCC1CCC(C(=O)/N=c2/c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2CCCC)CC1 103628158 QARAUVOJXSDYSU-ZXPTYKNPSA-N 506.647 5.050 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 163704785 BXBFONXVWSSUIW-PRLWALMFSA-N 680.602 5.770 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222761893 YPANFUODNWBFFX-SANMLTNESA-N 621.543 5.429 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222791914 NGDTVEICLSRZOH-DEOSSOPVSA-N 546.476 5.521 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224576039 TZCLTNLZIMYOJL-HHHXNRCGSA-N 535.666 5.003 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(F)c(Cl)c3)cc2)cc1 224766417 BLVWHXFJNVJPJI-FQLXRVMXSA-N 602.116 7.901 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225067250 WCRSVEBLNOGKJQ-WJOKGBTCSA-N 683.614 6.262 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225601383 MYADZKWCWCMCMP-XIFFEERXSA-N 776.139 7.624 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 227218347 DCWVYNINOMSNGW-AGSVCEGISA-N 681.542 7.546 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261125019 ZSHZVZGYRJSWPD-UKJJDJLKSA-N 707.647 6.107 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 408566734 OONRZHYQZMFTJQ-NUWWLQTNSA-N 582.426 5.230 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1ccc(F)cc1 408571108 NPHDESVWJGCTNG-QHCPKHFHSA-N 561.408 6.306 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408678826 DJLRYXOVPNHPKM-TUSFPTNYSA-N 669.088 5.507 5 40 KKBB Cc1cc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc4ccccc4c2)C3=O)ccc1Br 408755318 DMKJHONWUYWOHN-UHFFFAOYSA-N 537.369 7.440 5 40 KKBB Cc1ccc(C(=O)O)cc1N1C(=O)c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C1=O 408755763 FIXFCZUNVFOEOP-UHFFFAOYSA-N 501.882 5.952 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C(F)(F)F)ccc3OC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408865173 BLPUDAAWAUNDKG-GATIEOLUSA-N 710.481 7.037 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 408989663 UXLCLYJCTMOCOC-JOHYPREOSA-N 682.154 6.085 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408994874 HLJRDQLZXWHFCM-FWESEHMYSA-N 658.157 6.479 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 408997458 GKYWLTXRPIDAIH-PNZYDNNZSA-N 608.470 5.037 5 40 KKBB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 409038181 OTFOURLRHDBOKL-IWIPYMOSSA-N 569.433 6.360 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409093867 BDWALRQNVQTVJK-YDZHTSKRSA-N 656.433 5.017 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(Cl)cc1 409150907 DYFIEJNGHUUTLE-SRZZPIQSSA-N 577.924 6.734 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 409167315 IGIWFWJLZPELKE-SSDVNMTOSA-N 636.402 7.152 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409171996 AKVIQQCCJVJCIK-ZVHZXABRSA-N 569.433 6.572 5 40 KKBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)n[nH]1 409172053 BGANEGPXXZCDGD-XMMPIXPASA-N 560.661 5.762 5 40 KKBB CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 409272565 MYFFOHAROLFYJV-BUVRLJJBSA-N 534.546 5.731 5 40 KKBB COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409393341 QJIZHGTYSOTFQO-MYKKPKGFSA-N 566.433 5.332 5 40 KKBB COc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 1317185 LOXKQPFLISBJHP-USZFVNFHSA-N 590.386 5.276 5 40 KKBB O=C(NCC1CCC(C(=O)Oc2cc3oc(=O)c4ccccc4c3cc2Cl)CC1)OCc1ccccc1 9266387 OXGJSBZGEIJDSO-UHFFFAOYSA-N 519.981 6.238 5 40 KKBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ccccc2)cc1 22273815 PQCUDBLPZYHINR-UHFFFAOYSA-N 503.536 5.221 5 40 KKBB Cc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 59417120 KGPBBKQKUCSCPX-UHFFFAOYSA-N 514.378 6.751 5 40 KKBB CCN(CC)[P@@](=O)(Nc1ccc([N+](=O)[O-])cc1Br)c1c(C)nn(CCOC(=O)c2ccc(Cl)cc2)c1NC(=O)c1ccc(Cl)cc1 97984273 GRSKFOPPGPNDIU-DXQCBLCSSA-N 752.390 7.551 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 100297694 NEZYLSXEVIBFBD-XYOKQWHBSA-N 563.422 7.389 5 40 KKBB O=C(c1ccccc1)c1ccc(SCCCCSc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 100984997 JQGFPHISXHHGAZ-UHFFFAOYSA-N 572.664 7.630 5 40 KKBB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c(C)c(C)c(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 101027761 VOZFXXDZNZCHFK-UHFFFAOYSA-N 537.594 5.450 5 40 KKBB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@@H]12 101460293 ZRHIGDZIDKQKSO-UJODKQELSA-N 524.529 5.446 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)SC(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccccc12 102416677 MPNWBVUYHIRPHZ-WJOKGBTCSA-N 551.693 7.517 5 40 KKBB COc1ccc(NC(=O)[C@@H](CC(C)C)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1Cl 102985848 ALJJGXGJRJXDKK-JOCHJYFZSA-N 553.081 5.287 5 40 KKBB O=c1/c(=C/c2c3ccccc3cc3ccccc23)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 104656394 PPUXUQABOCTBNS-WXKAHTKJSA-N 599.553 7.388 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c2=O)=N1 104676944 FCQOLVGANTTWLF-GONGWJOBSA-N 625.747 6.189 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 105306248 KIILNJMMDZSAGU-UHFFFAOYSA-N 557.632 6.019 5 40 KKBB Cc1ccc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2c1 105312362 FOKCQYUCRLGFEM-UHFFFAOYSA-N 552.012 5.328 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 108071402 DDDZFLVHBYIQPN-JLHYYAGUSA-N 521.017 5.861 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 150395440 UVGJMOJACOUNKW-FUZBLHKMSA-N 659.764 6.546 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C 197764288 NWPJJMGACJUPDO-HSZRJFAPSA-N 579.708 5.496 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 214174039 PAELLMAVCNZEJQ-SRZZPIQSSA-N 511.899 6.185 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222605419 DUDLHOLLSMHKDF-UMSFTDKQSA-N 707.249 6.173 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223279322 PCZLILUQVVWBAG-SSEXGKCCSA-N 635.142 5.220 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1NC(=O)C(C)C 224115159 WBYLOTIJEPUNEF-SXOMAYOGSA-N 541.633 6.330 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Br)cc4)o3)cc2)cc1 224786282 LIKVSGQYZSJTGA-WDYNHAJCSA-N 629.561 8.341 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 224786485 FRTNYONXHMTAIH-WDYNHAJCSA-N 595.662 7.486 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225052795 WBMDLZMPUFRLMG-GDLZYMKVSA-N 685.243 6.325 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261044510 ZAQWBQMMIJZHGL-YADHBBJMSA-N 661.177 5.101 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc2ccccc2c1 408572201 QUOMYVIYAPWXGI-PMERELPUSA-N 570.671 6.825 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)O)n[nH]1 408633145 WKFUMOPHIXIPSB-MSXFZWOLSA-N 562.007 6.263 5 40 KKBB O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408767126 DRCBNEARZHDCGN-BUDNTJSZSA-N 600.483 6.794 5 40 KKBB CN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 408813641 ONEGOKSTFCEEJG-NVNXTCNLSA-N 575.178 5.207 5 40 KKBB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O 409013246 MTNUXOSMXLDZRU-RNDVCUHJSA-N 521.389 5.780 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409038316 FFIBSWNPGTYTBJ-JHUDVDCUSA-N 752.640 5.852 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409039445 WPFMHBYCQVRDSE-QEEORQGDSA-N 801.068 5.652 5 40 KKBB O=C1N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1Cc1ccccc1F 409084489 CXFHESFYQVZWLR-SRZZPIQSSA-N 516.312 5.713 5 40 KKBB CCCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3ccc(OCC)cc3)c(=O)c2c1C 409134311 ORNZDXSNTAWPNT-UHFFFAOYSA-N 549.596 7.185 5 40 KKBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n[nH]1 409151841 CHVPGRPKICKYRS-XMMPIXPASA-N 542.706 5.426 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)ccc1Cl 409155240 QDTBICKVZKBFDX-YDZHTSKRSA-N 662.902 6.903 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(Sc5nc(C)cc(C)n5)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1 409161255 LNFQPBCTIYDYSX-IVQFASICSA-N 694.795 5.357 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409225092 NKQLOQGDSOIORX-MSXFZWOLSA-N 647.481 5.361 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409254804 ITQMURMSCPGHTB-MZJWZYIUSA-N 648.491 6.773 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 409264917 MUXREFGFBHRPMI-MYKKPKGFSA-N 666.333 7.561 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1 409274041 UGWLNXHHFSKCIO-WGARJPEWSA-N 540.601 5.890 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C(C)C)cc4)C3=O)o2)c([N+](=O)[O-])c1 409347665 MZSBUOMBYMTBNC-YDZHTSKRSA-N 505.552 5.962 5 40 KKBB O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 1462567 MOICWRJJYKOMEH-UHFFFAOYSA-N 513.881 5.249 5 40 KKBB O=C(OCC(=O)N1CCCc2ccccc21)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2637790 NEAADWZLEBRDEG-UHFFFAOYSA-N 516.497 5.901 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)NC12C[C@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 3356952 DQQRVFTVGFXKMR-LJQDGHHOSA-N 553.666 5.264 5 40 KKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3cnn4c3N[C@@H](c3ccccc3)C[C@@H]4C(F)F)nc12 22825593 LWXWOEDQRNVEOK-IAGOWNOFSA-N 502.554 5.731 5 40 KKBB CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[N+]([O-])(CC)CC)c(I)c1 67664828 HFKWXDIWKIYSGI-UHFFFAOYSA-N 661.318 6.949 5 40 KKBB in-vitro O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@H]2[C@H]1c1ccc(Br)cc1 96022815 ZDNBRCBWQVHZMF-GWJVZLEGSA-N 629.736 8.210 5 40 KKBB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccc6c(c5)CCC6)cc([N+](=O)[O-])c4)c(Cl)c3N2)cc1OC 97999612 WFXYOFDUQQANJC-ZEQKJWHPSA-N 658.033 7.656 5 40 KKBB Cc1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccc(I)cc3c2=O)c(C)c1 100026132 HWOAWWPGBTUDQQ-YRNVUSSQSA-N 523.330 5.686 5 40 KKBB CCN(CCCNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)c1cccc(C)c1 101501508 JZRGTHVUWMDCCO-UHFFFAOYSA-N 546.679 5.256 5 40 KKBB COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1 102984495 GZYGZXDKEUGZLW-QGZVFWFLSA-N 566.083 6.921 5 40 KKBB CCCCCc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103060475 ICZJZIATRJSWEA-MOJVCKTQSA-N 611.698 7.184 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)o2)cc1[N+](=O)[O-] 104659026 UCWJKDBRXOVOJP-JLHDDXNDSA-N 545.620 5.795 5 40 KKBB Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)o2)cc1[N+](=O)[O-] 104659031 UCWJKDBRXOVOJP-PYCBVSLESA-N 545.620 5.795 5 40 KKBB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 105307876 RCOYJPJESBLHDG-UHFFFAOYSA-N 550.040 6.400 5 40 KKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1 105354674 ZXPPUOZLIZDWLO-SDNWHVSQSA-N 577.468 7.136 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 105499195 MKMSNGVCYUJEJF-YNMQQHPQSA-N 601.706 5.007 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Cc2ccc(N3C(=O)[C@@H]4ON(c5ccccc5)[C@@H](c5ccc([N+](=O)[O-])cc5)[C@H]4C3=O)cc2)cc1 150434274 DDPOQCPGGSSIPN-IZKUIEKQSA-N 842.821 7.196 5 40 KKBB COc1ccc(C(=O)Nc2cc3c(cc2[P@](=O)(Nc2ccc([N+](=O)[O-])cc2Br)N2CCOCC2)C(C)(C)[C@H](C)N3C)cc1OC 150682178 QSBWAVKAUZRQKC-FRLFTUQUSA-N 702.543 6.005 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 215943473 BXLAYSJAYYNHAF-PMERELPUSA-N 594.089 5.975 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223326860 UHLNJSGNBCWVKB-ZORMNXRFSA-N 642.778 5.653 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224492889 IHDGNLYIODCMLR-VWLOTQADSA-N 552.469 5.455 5 40 KKBB Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224789214 NCJRHRIKUQETMU-IHLOFXLRSA-N 599.137 8.540 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 225175098 JCHWLXBITAYJIK-KAYWLYCHSA-N 527.606 6.084 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 225562518 PYOKCEMNIOIESJ-IZLXSDGUSA-N 541.633 5.814 5 40 KKBB CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+]2(Cc3ccc(F)cc3)CCCCCC2)cc1 226069621 HDJZVWRGYIFUMT-GDLZYMKVSA-N 514.746 6.887 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4ccc5ccccc5c4C3=C[C@H](c3ccccc3)[C@H]2C1=O 408733516 YVTDQJKTMGFJKJ-NWIVXPOESA-N 530.536 5.578 5 40 KKBB Cc1c(I)ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1Cl 408736960 KGZUWPRVRFIOQN-AREMUKBSSA-N 653.904 6.659 5 40 KKBB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(CSc2ccccc2)cc1 408921759 WQUAKDSGXPTOPO-UHFFFAOYSA-N 533.631 5.721 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408924847 RLGGEIGEUWYOHA-ZJTZAHLKSA-N 603.722 5.694 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409029831 CLQWISVGDULEFR-FZEVDNDPSA-N 848.510 6.448 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409097993 IBRLJLBZLIGEKO-OXDPQRGISA-N 657.148 6.087 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CC1CCCCC1 409138034 YZMCSEPKBRCXOY-LPYMAVHISA-N 531.428 6.553 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 409168583 NARDYCGPMMEZAY-WSDLNYQXSA-N 573.505 6.090 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409213328 UNJBXWWQZJSKHN-SRZZPIQSSA-N 531.373 6.730 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4c(ccc5ccccc45)C3=C[C@H](c3ccc4c(c3)OCO4)[C@@H]2C1=O 409337388 ZVHSUPOWKRFYON-URENDEMCSA-N 574.545 5.307 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409374731 XVQFBIHIDCDDBP-WSDLNYQXSA-N 548.577 5.391 5 40 KKBB O=[N+]([O-])c1ccc2nc(S)n(/C=C(\c3ccc(Cl)cc3Cl)S(=O)(=O)Cc3ccc(Cl)cc3Cl)c2c1 1637320 QTXFJJFLADPMOP-UFFVCSGVSA-N 589.309 7.417 5 40 KKBB Cc1cccc(N(C(=O)COc2c(C)cc(Cl)cc2C)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 12549259 UICWJRAARLAYIO-UHFFFAOYSA-N 507.999 7.041 5 40 KKBB COc1ccc(/C=C/C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1 12581730 VZAXVHZLEWAUKQ-VTJDKEBTSA-N 511.328 5.302 5 40 KKBB CCn1c2ccccc2c2cc([P@@](=Nc3cc([N+](=O)[O-])ccc3C)(Oc3ccc(Br)cc3Br)C(C)(C)C)ccc21 96022704 RCRBTMHLSWBFPX-RRHRGVEJSA-N 683.381 10.507 5 40 KKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 97979606 VZPPHCMCJZDWCC-HAVVHWLPSA-N 568.585 7.637 5 40 KKBB O=C1C2=CCc3c4c5c6c(ccc5c5ccc(c2c35)C(=O)N1c1ccc(Cl)cc1)C(=O)N(c1ccc(Cl)cc1)C(=O)[C@@H]6C=C4 100053429 OSSFEQGQGMWJKV-AREMUKBSSA-N 613.456 7.724 5 40 KKBB O=C(/C=C/c1ccc(Br)o1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 103073019 ZXHRJZQBWRSTCN-ZBWUASRJSA-N 550.159 5.649 5 40 KKBB COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1Br 150450904 KHLJOYIAPCVLOW-NIKYWZLZSA-N 650.485 6.348 5 40 KKBB COc1cc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 164807728 GGVQCBVYHBRSEF-UHFFFAOYSA-N 630.495 5.961 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 214808579 MZHKPWKOKURHHE-FOKLQQMPSA-N 613.397 8.348 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222638686 IHUOMEPHXUBSGY-JGCGQSQUSA-N 663.196 5.856 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223953182 UYOAUCRLHICODP-BCHFMIIMSA-N 588.488 5.844 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc(Cl)c3)cc2)cc1 224766719 MEAAROIYIIYQQS-WDYNHAJCSA-N 584.126 7.762 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225231492 JHAQGYSJIFAOHA-IZZNHLLZSA-N 529.578 5.012 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl 225251463 RDPXJKWCVLKTOY-FTJBHMTQSA-N 563.039 5.196 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)cc1 248177908 ZYXGEGNZIYMEEU-YRAGKPRHSA-N 555.590 5.885 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260930487 AXNBHTVGSCSSLJ-MGBGTMOVSA-N 741.694 6.969 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261001728 FJAUAGKUKCYHCP-RBBQXQBVSA-N 776.139 7.622 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 408564971 AVIJQQPDFFCQFT-DEOSSOPVSA-N 585.480 6.045 5 40 KKBB Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408648155 JSCUPRLTEKTTHW-FWNGJPQNSA-N 585.616 5.424 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408679958 FPSQCKXMURTFTE-SNINSWTHSA-N 658.536 6.252 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1 408857695 PJFGVYJMESSBHG-WOSHRIRTSA-N 620.687 5.749 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 408922411 DVQYYEDKKNGFCO-QZWPQGNPSA-N 681.818 7.217 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408924844 RLGGEIGEUWYOHA-UPWSPCOFSA-N 603.722 5.694 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2=O)=N1 409045122 HSFXZMNBKFGMEC-QTTRZTASSA-N 608.072 5.409 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc(Cl)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409047642 PDBJUWYNWWIZBM-BIQRORRISA-N 542.975 5.689 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409050729 ZBFGJBFGLDWWRQ-ZTLWMONSSA-N 772.674 6.997 5 40 KKBB CC(C)(C)c1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409120298 WFHZVQJCJVXVCJ-SSEXGKCCSA-N 505.618 7.254 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 409161551 VNWVQXYGRKPNIH-YDZHTSKRSA-N 521.551 5.545 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409204115 BIUBFHSMILGYET-AUEPDCJTSA-N 677.873 6.785 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(F)c4F)C3=O)o2)c([N+](=O)[O-])c1 409205095 LKRWTODUYAVSJA-GIJQJNRQSA-N 517.441 5.256 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409254895 YGENMJMHGAFPAF-SSDVNMTOSA-N 663.421 5.601 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)cc1 409275403 JEGWRCRXZSBDCE-YNMQQHPQSA-N 606.770 5.053 5 40 KKBB CN(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 15303984 KEKSGUPQNRPRKP-UHFFFAOYSA-N 521.495 7.391 5 40 KKBB O=C1S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 32124603 MODPYOVTHGNDGT-UDWIEESQSA-N 503.388 7.294 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59331438 TTYDDWUOTONSGM-UHFFFAOYSA-N 519.558 5.659 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 100656020 LMAQIYCMSJFVFQ-VJBGASIXSA-N 543.579 5.037 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N(C)C(c1cccs1)=N2 102940869 SAJRBOZHRYXRBS-DIPNUNPCSA-N 547.581 5.495 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 103549380 HKAUMPZMOFDTTB-ZPNDBRHUSA-N 585.616 5.850 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c2=O)=N1 104676672 FGCMRRZFTBUECA-UNDLXJOSSA-N 615.708 5.879 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)o1 111472893 LKCNKTPUNKDXKN-UNDLXJOSSA-N 606.660 5.359 5 40 KKBB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 164763198 GCLSJQRRAKXSBH-UHFFFAOYSA-N 671.851 7.867 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Cl 214075102 JIBDDIYFZRBUMS-UFFVCSGVSA-N 613.795 8.058 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224070084 UDENUHMEVXMHHD-FQEVSTJZSA-N 649.141 5.232 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224828654 BNOLICXAMBFNRT-AREMUKBSSA-N 714.068 6.647 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260875571 GQMJLZRSGJUAQS-HSZRJFAPSA-N 645.178 5.258 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 408565577 CKOKPUKSLJDVCB-DEOSSOPVSA-N 579.893 7.234 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1ccc(Br)cc1)[C@@H]1CCCN12 408566282 NKVDPPNHLGEYEW-TUPPOGIXSA-N 534.410 5.083 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408567838 RWTQFOJXPRQGPQ-BYGVMDBSSA-N 570.415 5.088 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408568712 ILBJJWBENOASTL-DIQBVPKUSA-N 621.315 6.302 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccccc1 408571580 PCIGUHKJLDQZPN-HSZRJFAPSA-N 543.418 6.166 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408684451 NIWGASCMQDJUPW-ZYNNUQKQSA-N 692.981 6.906 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733577 KTLLSDZGRLGNIK-YVBHXKDBSA-N 630.078 5.782 5 40 KKBB O=c1/c(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408758114 VMZWRMDXDFFBTM-HZHHUVPKSA-N 650.554 6.568 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 408988241 RQNGOMKWJKGDHF-XQAWFANUSA-N 688.940 5.400 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(C)cc5[N+](=O)[O-])C(=O)[C@@H]34)c(=O)n2[C@@H]1c1cccc2ccccc12 409050559 WYKSLJBZRRCEFU-NBYCORAFSA-N 786.866 6.371 5 40 KKBB O=C1N/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1C1CCCCC1 409093062 ZAWLKMVTUNJAQQ-NDENLUEZSA-N 673.245 5.608 5 40 KKBB CCc1ccc(NCc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 409110670 XQAFLUGTBJWTBR-UHFFFAOYSA-N 518.351 5.962 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl 409159249 ZSWFIVHKSFIJHS-WSDLNYQXSA-N 604.424 6.403 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409266377 YIGIYOVZRZJPED-WYMPLXKRSA-N 617.514 6.632 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)c(F)c4F)C3=O)o2)c([N+](=O)[O-])cc1C 409273693 LDRMCRGLAYOBEK-OCKHKDLRSA-N 531.468 5.564 5 40 KKBB O=C(Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1)c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 3671395 CZFADUMNAXPMAF-UHFFFAOYSA-N 555.431 6.514 5 40 KKBB CCOC(=O)c1c(C(=O)OCC)c2ccc3ccc4cccnc4c3n2c1C(=O)c1ccc(Cl)cc1 4543097 KHUSRWZYYNYGDG-UHFFFAOYSA-N 500.938 5.879 5 40 KKBB COc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(NC(=O)c3ccccc3)cc2)cc1 6157251 YIDOGNGAOQKEIG-UHFFFAOYSA-N 580.626 5.834 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1 6194281 UTFQBVZHSUQXLC-UHFFFAOYSA-N 508.991 5.480 5 40 KKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4cccc([N+](=O)[O-])c4)CCC[C@@H]3[C@@H]2c2cccc([N+](=O)[O-])c2)n1 8455458 VYXMSYOEPBOPMV-YOVHSLHWSA-N 545.512 5.064 5 40 KKBB CCCCc1nc2sc3c(ncn4c(SCC(=O)Nc5ccc(C)cc5)nnc34)c2c2c1CCC2 9076604 KZOFIWPRHKPXOC-UHFFFAOYSA-N 502.669 5.758 5 40 KKBB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)cs1 12546795 WZTHJISSGXVCIZ-QZTJIDSGSA-N 522.627 5.380 5 40 KKBB C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)c(CCC(=O)OC)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@@H]1C(=O)OC 43769730 YTZALCGQUPRCGW-XQUWYEIYSA-N 718.807 6.719 5 40 KKBB biogenic,in-man CC(C)(C)c1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(C(C)(C)C)c1O 101117762 DIIJGUKJVOJOLH-SLQPCKNISA-N 543.620 5.947 5 40 KKBB CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 101201072 AOALKDZKDYFDQM-ZRBLBEILSA-N 512.349 5.515 5 40 KKBB CCCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4cc(Br)c(O)c(OC)c4)[C@H]3C2=O)cc1 101673354 DUUSPZHFETZJQF-USZFVNFHSA-N 612.433 5.302 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C(=O)N1Cc1ccccc1 102711343 FYJZSTHYPIYGTO-TWJOJJKGSA-N 511.559 5.370 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1c(-c2ccccc2Cl)noc1C 103629838 CEGHQBCEKWVAOW-BBTNWVSFSA-N 608.054 5.427 5 40 KKBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)CC2)cc1 105394720 MXYQSTLQQPSSRK-FBMGVBCBSA-N 550.615 6.032 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(F)cc1 106745484 AYERCLLIFQAQCW-OYKKKHCWSA-N 508.527 5.948 5 40 KKBB CC(C)(C)c1ccc([C@@H]2C([C@@H](O)c3ccco3)=C(O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 110091269 QKFFWHVZRVDJSO-RPWUZVMVSA-N 595.655 5.408 5 40 KKBB O=C(Nc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br 150438103 QRKVTNMEHCBPEM-UHFFFAOYSA-N 649.361 7.100 5 40 KKBB O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cn2c(SCc3ccc([N+](=O)[O-])cc3)nc3cc4c(cc3c2=O)OCO4)cc1 150444024 KJDMWGCNCCCVOO-UHFFFAOYSA-N 624.631 5.033 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c2=O)=N1 163455479 XTANJKSXHDNFPR-WXKAHTKJSA-N 655.773 6.198 5 40 KKBB CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1Br 197695966 ZBZFCFNGHXFVBX-FQKMCRJQSA-N 588.483 5.388 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224291498 FKBIGGPNMHMZDE-SANMLTNESA-N 554.112 6.036 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224416832 YYXTVXATIHCNSB-MUUNZHRXSA-N 647.581 5.963 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C 225167493 MMPQPQQBJVVKIJ-SVBPBHIXSA-N 526.622 5.615 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260978194 ASCIPKBRDNSZCJ-UKJJDJLKSA-N 707.647 6.107 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc(F)cc1)[C@H]1CCCN12 408563880 BJGMEQJJUBCYIQ-AWTIUKJOSA-N 552.400 5.222 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1C 408567736 HHKAMIPIZGAPSK-RUZDIDTESA-N 598.479 6.552 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)O)n[nH]1 408633342 XUHTWRKXXSSNIK-JJFYIABZSA-N 617.865 6.601 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408638155 BZPMAFRQKGDZFG-ZBWOKKAISA-N 720.991 6.588 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408728549 OLDCLKABTOIJJU-VVHYXOSJSA-N 705.981 8.744 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735026 MJPMZPWYXCAMSI-OCDQFKQQSA-N 704.714 5.213 5 40 KKBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 408736790 IAIQDFVUBDFHKY-SANMLTNESA-N 558.432 5.855 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1cccc(C(F)(F)F)c1 408870705 XCMQRYBMUYVQKY-FBHDLOMBSA-N 715.298 7.393 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409033601 FUEDSLPSNMINDE-QVPVGFNESA-N 672.543 6.069 5 40 KKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)C(c1ccccc1)c1ccccc1 409054087 RCOJVJODDAHVIC-UHFFFAOYSA-N 509.562 7.295 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409079824 MJFIHXRSGCPLHT-SODCYNRPSA-N 752.640 5.854 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409090322 MIKOKUNDVHKPQH-RBYDNKHHSA-N 738.613 5.464 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1Cc1ccccc1 409109635 IMHSJBIWKIOQIM-UUWRZZSWSA-N 624.524 8.842 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409139954 GTFMPMZQYNXWJX-DFXMODJXSA-N 695.823 6.207 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409182502 LSUFUKCCPNJNAX-FSJBWODESA-N 578.559 5.596 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)c1ccc([N+](=O)[O-])cc1 409274857 QNFRLFVMVOUPSC-KEBDBYFISA-N 513.871 5.336 5 40 KKBB CO[C@@H]1/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C 584577135 NZCRJKRKKOLAOJ-BYUGHMOYSA-N 785.891 6.158 5 40 KKBB CC(C)[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 8449505 HROWTBLKVBYFHV-UKIGHJFBSA-N 696.348 5.251 5 40 KKBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2o1 8832997 GKKQESKMUQIBNG-UHFFFAOYSA-N 515.595 5.829 5 40 KKBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(-c3cc(-c4ccc(F)cc4)co3)cc2)NC(=O)N1 27515748 UTTUKLGJFUFVEZ-SANMLTNESA-N 512.497 5.928 5 40 KKBB Cc1sc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n(-c3ccc(Cl)c(Cl)c3)c(=O)c2c1C 97951486 KDNZHQQBRQFBNV-UHFFFAOYSA-N 535.434 6.010 5 40 KKBB c1ccc2c(c1)-c1cc3[nH]c(cc4nc(cc5[nH]c(cc-2n1)c1ccccc51)-c1ccccc1-4)c1ccccc31 100216194 GZEFZLXJPGMRSP-UHFFFAOYSA-N 510.600 9.289 5 40 KKBB O=C(Oc1ccc(Cl)c(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1)c1ccc(Br)c([N+](=O)[O-])c1 100349571 FFJLDEWOCAIKKV-UHFFFAOYSA-N 600.559 6.120 5 40 KKBB CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5Cl)cc4)cc3)C(=O)[C@H]21 100390399 QGAMWNKSVGNEGX-XXGRWQQESA-N 558.974 6.099 5 40 KKBB NC(=O)c1ccc(-c2nnc(Nc3ccc4c(c3)nc3c5ccccc5c(-c5ccc(Cl)cc5)nn43)c3ccccc23)cc1 101419289 JZMRQJVFBWMELC-UHFFFAOYSA-N 592.062 7.809 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)[C@@H](C(=O)c1ccccc1-c1ccccc1)[C@H]1OC(=O)c2ccccc21 102971349 VIMRAHCTUDYZIT-UHSQPCAPSA-N 534.524 5.489 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 102974103 PWBCNOWNLUBNBZ-JBRSBNLGSA-N 582.407 5.075 5 40 KKBB COC(=O)c1cc(CNC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OC 103014662 JXAQAKKNTQRRIC-UHFFFAOYSA-N 520.485 5.490 5 40 KKBB CCCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=Cc5ccccc5N4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 103140172 CMICDHUVEMGCEC-BPXGVECKSA-N 537.572 5.046 5 40 KKBB Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl 105305923 DUHVJARPDAZTTE-UHFFFAOYSA-N 550.044 5.408 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105310693 HJHMPDFLGHFWOJ-UHFFFAOYSA-N 537.985 5.489 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105318209 FYLNUIUSLOCBPM-UHFFFAOYSA-N 576.078 5.957 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 105777397 KLMPDAZUNVOBGI-UHFFFAOYSA-N 618.693 6.031 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 150640417 GZVATDIWKDMFSO-FWESEHMYSA-N 626.090 6.066 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 163710590 ISPWLPSZPFZFIH-JLKMOJGBSA-N 645.759 5.406 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c2=O)=N1 164207138 MBRVDSBYFABGCW-INJWXVQMSA-N 672.543 6.071 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(I)cc1 215232470 MVGVWUGKUNUSRW-YBFXNURJSA-N 532.315 5.696 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223469717 CLOFRBMXGINFAW-HHHXNRCGSA-N 679.623 6.136 5 40 KKBB COC(=O)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224792679 MDBIVBULWNUQRJ-KYJUHHDHSA-N 607.717 6.895 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224803434 RGOMHXVQHXEWAY-DHUJRADRSA-N 733.287 6.768 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 224825917 QBRGUZMRCLPRLI-RPBOFIJWSA-N 502.552 5.444 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224907485 XTDYYWNVMQUCPC-WJOKGBTCSA-N 649.169 5.608 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)o1 225581470 IMTBZXKMDCDBFO-VSGBNLITSA-N 557.632 5.568 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]2[C@H]2C=Cc3c(ccc4ccccc34)N12 230057859 QHFYVXFTSTVDLU-NXBJLNSTSA-N 549.970 5.674 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260784815 JRTWAPHCOYJSFK-XMMPIXPASA-N 671.216 5.669 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nnc2-c2cc(Br)ccc2O)c(C)c1 408541835 FCULUICHMHUGMQ-UHFFFAOYSA-N 588.871 6.312 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408565423 KQFOKNTZAAFJTR-NUWWLQTNSA-N 598.881 5.745 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(OCC)c(OC)cc2Br)cc1 408566795 GDRQVUJZSKSNPE-OAQYLSRUSA-N 537.436 5.254 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccccc1 408572009 QJMNTXVKMTZVOY-DEOSSOPVSA-N 587.471 6.565 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408613260 WAWKLKCYYAXAOH-UHFFFAOYSA-N 580.062 5.666 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733617 MIOSZLKWBWMPAJ-ZJTZAHLKSA-N 661.048 5.788 5 40 KKBB Cc1ccc(C)c(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1 408757638 ODFIMWGYUQNDOX-UHFFFAOYSA-N 516.351 6.672 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OCc5cccc([N+](=O)[O-])c5)cc4Br)c(=O)n32)cc1OCC 408936165 FRDWEERJUSJNEH-IMLSNNMKSA-N 724.586 5.074 5 40 KKBB CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2ccccc21 409116122 OKJIRPUSHBFKJW-ODLFYWEKSA-N 558.226 6.606 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)nnc1-c1cccc(Cl)c1 409192873 FMOQOEZAYQWBNU-HRIDGTDGSA-N 735.675 6.831 5 40 KKBB Cc1nc(S/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)O)n[nH]1 409193259 IDMSLRVPQHKYGH-UQQQWYQISA-N 523.574 6.364 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl 409241575 OPMJXVGILJDRAK-WSDLNYQXSA-N 602.850 6.265 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)c1 409275248 ZVFOHGLNJMZGDH-FSJBWODESA-N 548.533 5.587 5 40 KKBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 409326515 LJWWNAPPQXKPDA-UTCJRWHESA-N 541.127 5.210 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)C2=O)o1 409398204 BVYVAUSZTHNNQQ-WSVATBPTSA-N 580.764 5.607 5 40 KKBB COc1cc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl 1069383 XORNXCZFKTUTLB-DEOSSOPVSA-N 519.945 5.543 5 40 KKBB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(Cl)cc1Cl 3229520 NFCBJAWFSCPKAX-UHFFFAOYSA-N 551.433 5.979 5 40 KKBB CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 16038905 JWJMOAGUGRHVMR-GURVGDRESA-N 521.573 5.183 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)c1 100343155 XOKZYUZVMGKRGH-XKZIYDEJSA-N 540.022 6.383 5 40 KKBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)sc2c1CCC2 102439594 MTGQKOUIIMHRPT-UHFFFAOYSA-N 610.736 6.486 5 40 KKBB COc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(Br)cc2)c([N+](=O)[O-])c1 103132582 ZEDMVPMBPUKUID-UHFFFAOYSA-N 596.507 6.642 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105308068 INAYPJDCNBALAN-UHFFFAOYSA-N 613.437 5.735 5 40 KKBB O=C(NCc1ccccc1NC(=S)Nc1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 113560874 GEJXPXMBEAFTOP-DIBXZPPDSA-N 551.628 5.491 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 150396354 IBTSDLRCJZHCSY-JOHYPREOSA-N 649.725 6.236 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2=O)=N1 163454314 FORXFDOQFUELIE-NBQDTTAVSA-N 656.717 6.311 5 40 KKBB CCc1ccc(C2(c3ccc(CC)cc3)S[C@@]3(SC(C(=O)c4ccccc4)=NN3c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 163487975 SFRJXOUAYVGDFZ-LHEWISCISA-N 641.818 9.318 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214350068 XDOKQDFMQPAVIZ-FSJBWODESA-N 539.497 6.070 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 215222441 DRLAQFXAZUTPOS-SRZZPIQSSA-N 633.376 6.145 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225328799 PCQYSBDXXHJWPX-UUWRZZSWSA-N 721.276 6.625 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccc(CC(C)C)cc1)[C@@]21C(=O)Nc2ccccc21 248339012 SHEJUFCNSNOQPC-OXWPWTPBSA-N 611.698 7.040 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408564885 GFWQCQPZUNNVOM-HTZSSYRZSA-N 568.457 6.026 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1F 408567724 HGHLZPMTTTUHLP-DEOSSOPVSA-N 528.993 6.066 5 40 KKBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408646849 IYSPJCPNVHLSAI-ZXLJMPJZSA-N 571.589 5.116 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Cl)cc1 408677833 CCHRHYDABNHRMT-QYVRTBTHSA-N 592.007 5.381 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408828667 INCHMDQDJMJLPB-ZSJKCPIUSA-N 578.046 5.317 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)o1 408840965 GVGJPJCSZNHHDR-UAMLYEQYSA-N 563.610 5.934 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409009378 DZBAWNPYOYELTD-OVVQPSECSA-N 728.565 5.562 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc(Cl)c4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409042746 XPHFSHNGKWXDLK-QEEORQGDSA-N 801.068 5.652 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 409095767 IYGMDJAESVZPMH-ZVHZXABRSA-N 642.484 6.019 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br 409149340 CAMJDWVTZYSHER-ZCWBPALNSA-N 740.658 5.434 5 40 KKBB Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2)cc1C 409183927 VGVXCELWIJWGML-MUUNZHRXSA-N 534.524 5.793 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409195325 OPGOFIRGSRAFSS-FSJBWODESA-N 553.980 5.511 5 40 KKBB O=C(CSCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1)NCc1cccc2ccccc12 409333571 HXFFCTAGLCUKIH-UHFFFAOYSA-N 631.761 6.077 5 40 KKBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409360667 BUNHMPSUFSDMIX-IBGZPJMESA-N 508.431 5.932 5 40 KKBB CCc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2284837 UYNAXMPGMWQNKF-UHFFFAOYSA-N 510.395 5.657 5 40 KKBB COc1ccc(CCNC(=O)c2ccc3c(c2)nc(SCc2ccc(Cl)cc2)n2c4ccccc4nc32)cc1OC 2959541 VCEWXINFVUTKTP-UHFFFAOYSA-N 583.113 6.971 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1NCc1ccc(Cl)cc1 8385442 UPSGSIMPGQJFIW-UHFFFAOYSA-N 521.426 5.025 5 40 KKBB CCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1 8818287 JGGSKXNWZQAAPO-ZQMKHXPBSA-N 516.686 6.136 5 40 KKBB CC1=C(C(=O)Nc2cc(F)c(F)cc2F)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2cc(F)c(F)cc2F)=C(C)N1 73333333 OQIZCRJKMAIVFS-UHFFFAOYSA-N 576.453 5.942 5 40 KKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)cc2c1OCCO2 79497740 QLASPRFMCKAHGK-UHFFFAOYSA-N 501.539 6.084 5 40 KKBB O=c1oc2ccc(Br)cc2cc1-c1cnc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@@H]3[C@H]2c2ccc([N+](=O)[O-])cc2)s1 97971249 IXVSSQSPYOQCNA-KFRHYKGYSA-N 684.528 8.296 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-n1c(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccc(I)cc2c1=O 100026495 BFIHKZPSMKJKJR-UXBLZVDNSA-N 554.300 5.286 5 40 KKBB O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 100298873 VEBBOBIITJLYQV-UHFFFAOYSA-N 532.965 6.102 5 40 KKBB CC(C)(C)c1ccc(C(=O)N2N=C(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 100838562 VJSVCHNNBHXECR-SSEXGKCCSA-N 605.094 8.046 5 40 KKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 101165848 FNXRVTBRAAEYRE-KIHHCIJBSA-N 549.370 5.056 5 40 KKBB COc1ccc(Cl)cc1-n1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1cccc(Cl)c1 103130722 VEPUCPAZHRATPS-ZDUSSCGKSA-N 578.865 6.931 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)cc3n2)c(C)c1 104329832 UUVOJEONISZFDI-UHFFFAOYSA-N 554.607 6.313 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 109867496 DYNVGYMCQYQRFB-UHFFFAOYSA-N 535.006 6.912 5 40 KKBB CC(C)(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1 112243033 LLCZLRQWDIEOBL-UHFFFAOYSA-N 559.648 5.664 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Br)[C@]1(Cl)[C@]3(Cl)O[C@@](Cl)(C(Cl)=C3Cl)[C@]1(Cl)[C@@]1(Cl)[C@@]3(Cl)O[C@@](Cl)(C(Cl)=C3Cl)[C@]21Cl 151058381 AVFKJPRMXDMQMG-GVEQTHOOSA-N 801.557 9.401 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 164185664 WOORCWUHOGNCOJ-MRWVFDTMSA-N 643.718 5.083 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1Cl 214391826 SOQDMWRHHXFOMW-ZVBGSRNCSA-N 546.344 6.839 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224621269 VCHJCIGXHBMGEK-YTTGMZPUSA-N 658.777 5.354 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225732108 RCLAXGGVBCSJND-JGCGQSQUSA-N 628.751 5.202 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 408569374 WCJWWADNIOIXGW-PPSCSQRBSA-N 523.589 5.339 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408637552 AHRGNTUVCCENRO-WTTUQDLTSA-N 632.456 5.987 5 40 KKBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Cl)cc2Cl)C(=O)c2cccc([N+](=O)[O-])c2)cc1 408686319 ROJJSMFEWQAFMF-JOCHJYFZSA-N 506.363 5.508 5 40 KKBB O=c1/c(=C/c2cccc(OCc3ccc(Cl)cc3)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408826682 CFRWJBXJUGWNEH-FVUNBJOLSA-N 606.103 6.459 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408831385 PHFLHIGSYZKCHZ-YVBHXKDBSA-N 755.587 5.297 5 40 KKBB CCOc1cc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408838378 DXFDFMDMQOLADW-VXLYETTFSA-N 639.038 6.451 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 409035615 QIVGGJYJRUNYJM-MIUGUJGPSA-N 680.577 6.135 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c1 409163185 NDXHOCHKGIRILZ-RGVLZGJSSA-N 529.983 5.905 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409168598 MSOVWGIZXKOGPL-SRZZPIQSSA-N 568.495 5.118 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 409188309 GGYHICHXKZMMKW-JYNXQWRTSA-N 783.672 5.975 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409275230 STFTWSOYSVUUHV-XKZIYDEJSA-N 534.550 5.083 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)N1CCc2ccccc2C1 409380758 AEXZFJFZTKNUSU-QFEZKATASA-N 655.470 5.400 5 40 KKBB COC(=O)c1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c3ccccc32)o1 409390586 FZIPVEINQQFAFF-FMCGGJTJSA-N 517.519 5.214 5 40 KKBB O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccccc4)c4ccccc4c3=O)c2)CC1 29492178 TUXIISKWLAOFOR-UHFFFAOYSA-N 566.017 5.577 5 40 KKBB COc1ccc(C[C@@H]2c3cc(OC)c(OC)c(OC)c3CC[N+]2(C)C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CC[N+]2(C)C)OCO4)cc1 82190243 AQJUOAPVBUCVAX-SZAHLOSFSA-N 712.884 7.083 5 40 KKBB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 100140592 MOIJLOMJSBNUMK-UHFFFAOYSA-N 547.533 7.925 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 100361712 HCLOYSNQKJWACV-WSDLNYQXSA-N 559.825 6.826 5 40 KKBB O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 104099619 DHTOWMWEWYDYSQ-UHFFFAOYSA-N 518.765 7.830 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 107661227 YGJZZFMOGMWOHX-ITIZVALFSA-N 598.464 5.582 5 40 KKBB O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccc3ccccc3c2)cc1 138804553 KSOOSWNAGYSSGT-UHFFFAOYSA-N 527.533 5.831 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Br)[C@@H]1[C@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150389192 PQCIWCLZNVPWIH-DNZYXDGPSA-N 797.613 10.462 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214064604 ZHCBIYXHEPNGSP-FSJBWODESA-N 555.952 6.584 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222633875 IOZBAIYVQXMTLB-AREMUKBSSA-N 508.018 5.203 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3ccncc3)cc2)cc1 224764582 URXACJYSYMMQKK-WUFINQPMSA-N 550.669 6.504 5 40 KKBB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C 224769589 RHDOUGZMIMVBPG-UIOOFZCWSA-N 515.664 6.273 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)o1 225656572 FWWGZTHMXXIBGV-WUFINQPMSA-N 557.632 5.568 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225725393 FVUYATOVOSXAJO-OPAMFIHVSA-N 526.486 5.857 5 40 KKBB CO[C@H](C)C1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3[C@@H](C)O 299754511 BEZGXBMGGVINBF-NHCUHLMSSA-N 612.727 6.763 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1ccc(F)cc1 408568618 ICQZMIKCGPLGIB-HSZRJFAPSA-N 561.408 6.306 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1C 408571078 NHRRHOMNCYPVQD-RUZDIDTESA-N 543.476 7.188 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 408571508 OTASJTAHNAXVAV-VWLOTQADSA-N 617.497 6.574 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccccc1Cl 408572145 QRUYJNIQBBAYBK-HSZRJFAPSA-N 589.899 6.689 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)cc2)n1-c1ccc(F)cc1 408577365 ZBGRWHLCHVLOAM-MHZLTWQESA-N 514.582 6.557 5 40 KKBB Cc1ccc(NC(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-] 408675527 BEQQEGCNJJXCJK-UDPYREPESA-N 587.588 5.095 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408679996 FTSQBGHXFCPUEG-SNINSWTHSA-N 658.536 6.252 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)S2)cc1 408769678 ZAXXNCHBEWVSML-SCRHHBKZSA-N 570.465 6.107 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1Cl 408824444 HRLBPJBCHNQMLC-IYVASWNSSA-N 698.979 5.710 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 408907512 PTZIMVDMEYUUBP-KGVSQERTSA-N 525.892 5.720 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409038481 VOSRFNYUVFMGDV-GWRYVSOYSA-N 801.510 6.606 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(Br)cc2CNc2ccc(Oc3ccccc3)cc2)cc1 409116854 NDMMJIMLLGUCRF-UHFFFAOYSA-N 584.264 8.103 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 409128973 LLGSPVNYTDNYDN-UHFFFAOYSA-N 566.035 6.213 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl 409162215 YMVJRKNDGSQFMV-WGARJPEWSA-N 702.967 7.222 5 40 KKBB Cn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccc(Cl)cc1Cl 409167167 HPWVWSDWIJHZDG-UHFFFAOYSA-N 521.411 5.551 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409178063 GELGEGRPJMSUFF-WYMPLXKRSA-N 660.930 6.972 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 409178757 HYUYBVYAIAPFCW-UHFFFAOYSA-N 511.486 5.954 5 40 KKBB Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2)cc1 409181508 CFFSYYSVHPODTG-MHZLTWQESA-N 520.497 5.485 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)o2)c([N+](=O)[O-])c1 409328588 YBVKSSDOKXMPEH-RGVLZGJSSA-N 542.367 5.601 5 40 KKBB O=[N+]([O-])c1ccc(-c2cs/c(=N\c3cccc(Br)c3)n2-c2cccc(Br)c2)cc1 2088059 SNVXROVFDROTMM-FLFQWRMESA-N 531.229 6.871 5 40 KKBB O=C(COC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 2773334 QGZBLYGUHAHBAL-UHFFFAOYSA-N 528.473 5.914 5 40 KKBB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 8817878 CIGZSWRGFPJOML-XBXARRHUSA-N 501.370 5.469 5 40 KKBB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 12749263 RAVPQDJFEQMYBS-OAHLLOKOSA-N 518.986 6.097 5 40 KKBB O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274745 QBRZFMHCOFIWOX-UHFFFAOYSA-N 506.428 5.359 5 40 KKBB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCCCCC3)c2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 15946708 ZLCGDTDDENPRLI-SFHVURJKSA-N 512.676 5.874 5 40 KKBB C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 32578455 TYEQGXJBFZSLSP-OAHLLOKOSA-N 500.577 5.073 5 40 KKBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)CC1 59825781 XCQIGLUVYWQASV-UHFFFAOYSA-N 529.018 5.364 5 40 KKBB CCc1ccc(C2=NN(c3ccccc3)[C@@]3(C=C2)SC(c2ccc([N+](=O)[O-])cc2)=NN3c2ccccc2)cc1 97951135 RGXFWOACSYKXFI-WJOKGBTCSA-N 531.641 7.207 5 40 KKBB O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)c(-c3ccc(I)cc3)[nH]2)ccc1Br 97951207 HFJYTOLUZFUONG-UHFFFAOYSA-N 546.162 6.686 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cccc(COc6ccccc6Br)c5)nc34)c12 98046250 HXQOYBGWMNDZCG-UHFFFAOYSA-N 552.404 7.142 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 102191073 WKIVEZKDGCBOBQ-GCLYCDDRSA-N 597.671 6.649 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(c1ccc(C(C)(C)C)cc1)=NN2c1ccccc1 104496078 LRGNDYIUQQRYON-MGBGTMOVSA-N 575.694 7.431 5 40 KKBB C[C@H]1C[C@H](N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 105513259 RWJJXSVSKATMDR-CHJDUVSTSA-N 564.598 6.188 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 106688469 IZGGABZKLJRJJC-QRVIBDJDSA-N 510.955 6.072 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 161986115 CCEFLUDLMOYNGK-UHFFFAOYSA-N 652.001 6.657 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223054108 YAJKJLUXEBRULS-LEWJYISDSA-N 665.596 5.746 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225274696 NPVUODSRVPRJRH-UMSFTDKQSA-N 672.804 5.664 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260885040 DUPKAHLEBVGDQN-UUWRZZSWSA-N 723.679 7.186 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261097017 VECAAXYMFHXMLG-UBOZLPQGSA-N 658.777 5.354 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Br)cc1 408558359 UBTANSCLGVVPEY-UHFFFAOYSA-N 569.193 6.162 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 408558927 TUZAJYUKNAYCCQ-UHFFFAOYSA-N 548.821 6.347 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1Cl 408613720 ZQQPWQADSQKPCT-UHFFFAOYSA-N 538.769 6.443 5 40 KKBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408639920 GSWZJGOSQFMUCR-RHNJBJJBSA-N 696.154 5.679 5 40 KKBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408643323 PDUSVJWSGUQDPH-OAAWLSHCSA-N 666.128 5.670 5 40 KKBB Cc1cc(C)cc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c1 408749106 DMASZDDGWOVGGB-UHFFFAOYSA-N 518.576 5.353 5 40 KKBB COc1cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 408805291 FWXLTPORPKFOJK-GUPBRVRKSA-N 558.680 7.236 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408979730 CSCXOBMHHXIZMC-RYBDNCPYSA-N 751.011 6.537 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408979831 CZEXRRYKHWDDRM-NYIUWGNGSA-N 663.333 6.036 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(COc5ccccc5C)n4C)cc3s2)c([N+](=O)[O-])c1 408989450 UHYXVJBHNZRUTC-UHFFFAOYSA-N 665.779 5.691 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1cccc2ccccc12 409090745 PYRKTLJNEATVGQ-GSTVVXAASA-N 775.621 6.442 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409102837 WFGJQJTYLPZSQZ-NNAGEYCMSA-N 617.127 5.244 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc(F)c(Cl)c1 409226407 VWGZOESSTYBGKQ-OCKHKDLRSA-N 528.905 5.250 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1Cl 409274797 XZRIZPVPLVYTLH-RGVLZGJSSA-N 513.915 5.192 5 40 KKBB O=C(Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc2c1)c1ccc([N+](=O)[O-])cc1Cl 1771773 MNXFLXYWDUZAGL-UHFFFAOYSA-N 555.848 7.538 5 40 KKBB CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1 9430297 QWRMCQVLUFYZSZ-HXUWFJFHSA-N 509.942 5.696 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 9720427 VLMZNHSRMDNQGA-HFESIUDZSA-N 506.622 5.713 5 40 KKBB O=C(CSc1ncnc2sccc12)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 13101489 YGAKGYOYBFINPP-IBGZPJMESA-N 514.972 5.268 5 40 KKBB CCCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1CC 13526680 FIGPWODBTGQBNB-CQSZACIVSA-N 503.477 5.861 5 40 KKBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2ccccc21 51103556 XYQKTABQZALPJR-OAQYLSRUSA-N 526.540 6.238 5 40 KKBB CC(C)Cc1nc2sc3c(ncn4c(SCC(=O)c5ccc(Br)cc5)nnc34)c2c2c1CCC2 53335795 HFNBVWNCMUIZOJ-UHFFFAOYSA-N 552.523 6.312 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 100311094 ADHOHGGSYBRYSM-UHFFFAOYSA-N 547.774 5.651 5 40 KKBB Cc1ccc2nc(-c3ccc(N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)cc3)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 100395915 YOMAUMDTGKVSOO-JWQCQUIFSA-N 575.577 5.614 5 40 KKBB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1S(=O)(=O)Nc1ccc(F)cc1 102975274 NXUFAWYMQFRBAM-CQSZACIVSA-N 569.489 5.046 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nc4ccccc4n3-c3ccccc3)cc2s1 103807387 KIVJDIDFHJIHTN-UHFFFAOYSA-N 613.746 7.575 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1Cl 105251063 VDWFBBFSLXTDEY-UHFFFAOYSA-N 524.832 6.734 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 138870233 XLSDLPJWUUYPBL-UHFFFAOYSA-N 608.048 7.369 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223595198 YIDIRVZKHUZOGB-VWLOTQADSA-N 560.503 5.911 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 224076541 DGRLAAZLXIJZAG-IZZNHLLZSA-N 551.024 6.106 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224496342 SQXDPYBISUKLSM-HKBQPEDESA-N 707.647 6.107 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(Sc4ccc(Cl)cc4)o3)cc2)cc1 224785531 GCIRQFLLMPGTHW-URLMMPGGSA-N 617.177 8.716 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225049619 WIPZYJXJNOPRHM-HKBQPEDESA-N 650.798 5.672 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225189167 JMYFMBQIRDLQJM-QFIPXVFZSA-N 736.085 6.389 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260922077 MPRPGYWFBVXRQT-GDLZYMKVSA-N 657.189 5.112 5 40 KKBB CN1C[C@H](c2ccc(OCc3cccc4ccccc34)c(Br)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565331 JXAPSVIIHRHSQO-SGNYCRIWSA-N 558.432 5.703 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1 408566756 GASNKEIYFZPSKS-XUCOSSOOSA-N 542.817 5.250 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 408569375 WCJWWADNIOIXGW-QLZDYINWSA-N 523.589 5.339 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 408571052 NCBZESPNCQCSDX-QFIPXVFZSA-N 584.312 7.878 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408650731 MWZJDRFKNLMSRX-GOTSBHOMSA-N 624.433 5.536 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408689024 XPWIZPICQZDKHU-UHFFFAOYSA-N 751.407 7.152 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408762812 GIHZYZVZEVOUSS-PMYQURGISA-N 738.731 5.570 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 408878277 ZKDNPHLJIVWOBI-KSEXSDGBSA-N 743.454 6.489 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)cc1 408924867 RNOFNXJDVKHCAR-SUAMDDGLSA-N 589.695 5.385 5 40 KKBB CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409111604 CYUSVNNQOZBMBF-UHFFFAOYSA-N 505.796 6.909 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409141227 JBQULYQBYSUOBN-UFKHLRDRSA-N 691.835 6.525 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409159337 SYJFGVNACOFXAW-RGVLZGJSSA-N 540.941 5.119 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 409179825 UABSICYWLSPQAW-LJAQVGFWSA-N 567.395 7.354 5 40 KKBB COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 409192209 AABLGZTWGCHIJH-HWMKKPCCSA-N 767.673 6.355 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)c1ccccc1 409219943 WTAXUMMTLXITFW-RGVLZGJSSA-N 513.325 5.537 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)o2)c([N+](=O)[O-])cc1C 409329917 HZRLKALIGUPPLW-NHDPSOOVSA-N 603.394 5.751 5 40 KKBB CCOc1ccc2nc(SCC(=O)Nc3ccc4nc(SCC(=O)Nc5ccccc5[N+](=O)[O-])sc4c3)sc2c1 409333348 GOEPQMRDAWZFMR-UHFFFAOYSA-N 611.752 6.675 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc5ccccc45)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409350695 SARJTTXEZBVGMO-DBHVVYFFSA-N 775.621 6.360 5 40 KKBB CCOc1cc(C(c2c(-c3ccc(C)cc3)n[nH]c2O)c2c(-c3ccc(C)cc3)n[nH]c2O)ccc1OCc1ccc([N+](=O)[O-])cc1 409369229 ILYRKKVEUVQLQC-UHFFFAOYSA-N 631.689 7.561 5 40 KKBB COc1ccc(C(=O)[C@H](OC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)c2ccccc2)cc1 1860146 UGIKXRVHXPRISE-AREMUKBSSA-N 517.921 6.830 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3c4ccccc4cc4ccccc34)c2=O)=N1 2174274 HXQVPMDEVYIMCO-IMMOAUGXSA-N 593.752 7.304 5 40 KKBB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)o1 8442556 BMDKZQQZDRKPQV-LJAQVGFWSA-N 508.961 7.941 5 40 KKBB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2-c2ccc(F)c(Cl)c2)cc1 12600594 DIPXOBVZJDLGKI-UHFFFAOYSA-N 513.938 5.374 5 40 KKBB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)CC1 21576513 YWZVRDLKJDGPAC-UHFFFAOYSA-N 521.426 5.817 5 40 KKBB O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22838545 GEVQORLGPZNKQQ-UHFFFAOYSA-N 514.287 6.143 5 40 KKBB CCOc1c([N+](=O)[O-])cc(C(c2cc([N+](=O)[O-])c(OCC)c([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] 100045168 PZGVFMGFBVSVFJ-UHFFFAOYSA-N 553.695 5.619 5 40 KKBB COc1ccc(-n2c(=O)c3ccc4c5ccc6c(=O)n(-c7ccc(OC)cc7)c(=O)c7ccc(c8ccc(c2=O)c3c48)c5c67)cc1 100048872 VZFVREBNFMQPSI-UHFFFAOYSA-N 602.602 5.959 5 40 KKBB in-vitro CCOC(=O)c1c(C)n(-c2ccccc2)c2c1cc(OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc12 100813076 HAGPVCVEGRYVJP-UHFFFAOYSA-N 539.500 6.304 5 40 KKBB O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)S[C@]23c2ccccc2C(c2cccc4ccccc24)=NN3c2ccccc2)cc1 103757149 VEKLKUVDRNBFMF-QNGWXLTQSA-N 603.707 8.746 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 105313874 BXMSRSZKMFHTMW-UHFFFAOYSA-N 586.722 5.600 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(C)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 163994268 GQODMJYYOYZESC-VIBBIMNMSA-N 644.727 7.709 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222768753 QLRODQHARLYMQQ-UMSFTDKQSA-N 690.794 5.659 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223113673 QOYODXAKCMKOMQ-QFIPXVFZSA-N 645.178 5.135 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)cc1 224517038 RIVKPMNFSGWKSG-XZOQPEGZSA-N 521.396 6.189 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224765119 TYFBSPOXDYIXFO-JOCHJYFZSA-N 613.136 5.310 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl 225139541 MRBQTAZMSXETRV-FTJBHMTQSA-N 561.067 6.206 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 225258805 TXHCZIKLIVDPOB-CLJLJLNGSA-N 564.023 5.665 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)cc1 408565332 BRDALUZSSUVUQZ-XMMPIXPASA-N 555.454 6.036 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(F)c1 408568739 IMCRADCEJLEHPR-VWLOTQADSA-N 601.498 6.792 5 40 KKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1F 408606446 HXGXJVIOFURNCG-UHFFFAOYSA-N 508.287 5.538 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)CC1=O 408642627 PFSHDPIGTMQDCH-OAHLLOKOSA-N 526.343 5.150 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccccc1 408686272 RGBJNUSZAZIKHB-UHFFFAOYSA-N 567.168 5.745 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408824154 HGCCFCOPMGQOLJ-USDTVRPUSA-N 634.110 5.338 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408869084 RGSRLKLJISRJNP-FMCGGJTJSA-N 727.455 6.871 5 40 KKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)cc1 408993712 FDMQSNJZQLIONF-UHFFFAOYSA-N 530.378 6.980 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(I)cc2C(C)C)nnc1-c1cccc([N+](=O)[O-])c1 409123249 BAUAAALFFNAULX-UHFFFAOYSA-N 551.410 5.332 5 40 KKBB COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCCC2 409176814 YNVOZOXBTJBOBG-UHFFFAOYSA-N 608.094 5.126 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 409178053 GBIDSMGTYQSNCM-UHFFFAOYSA-N 520.881 7.098 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409180062 VAKKRQOXUICAQI-UHFFFAOYSA-N 601.911 5.789 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 409196403 ZXEHPRYRPPKGEB-GWRYVSOYSA-N 826.151 6.569 5 40 KKBB Cc1c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409201303 LINAYFQWFULPFQ-ZVHZXABRSA-N 503.967 6.801 5 40 KKBB Cc1cccc(CN2C(=O)N/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)c1 409222857 XWNGPCAFMRUEFK-WSDLNYQXSA-N 695.251 5.784 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1F 409272414 GPTKYZGXGCXFMQ-ZVBGSRNCSA-N 556.459 5.249 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1 409273827 LTKJIZQSUZGPGF-FSJBWODESA-N 587.835 6.509 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 409274531 PDZWHSZBBBUAHO-FSJBWODESA-N 537.981 5.811 5 40 KKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 409275723 WBQXLPWGOQVABX-FSJBWODESA-N 571.533 6.698 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1[N+](=O)[O-] 16611109 MWMIAUOOJBAPOJ-INIZCTEOSA-N 518.595 6.442 5 40 KKBB COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 98048390 JPCFOHGCDBDKJL-UHFFFAOYSA-N 542.953 5.434 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 100198062 OPIMHWFSNWGFGD-FUFNRSNVSA-N 587.654 5.099 5 40 KKBB O=c1c2ccccc2c(=O)c2c1c(NCCCN1CCN(Cc3ccccc3)CC1)cc1oc3ccccc3[nH]c12 101027837 VGEDOBUAPWGZKR-UHFFFAOYSA-N 544.655 5.561 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)c1ccccc1C(c1ccc(C(C)(C)C)cc1)=NN2c1ccccc1 101406732 TWQDCCNMLMMNQD-XIFFEERXSA-N 575.694 7.431 5 40 KKBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 103179672 OKFBKUZRCISHQN-UDAQCZAASA-N 537.403 5.887 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 103629639 KYTXUPXFMVISNK-MJPNWULPSA-N 548.643 5.107 5 40 KKBB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)CC2)c1 104146669 HZNDXHUWZSEJLW-WYMLVPIESA-N 582.613 5.486 5 40 KKBB O=C(O)[C@H]1C[C@@H]2[C@@H](C[C@@H]1c1c3ccc(=O)cc-3oc3cc(O)ccc13)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104224121 MFLKJTWDLMBFCM-QSVAHKGLSA-N 609.116 7.260 5 40 KKBB O=C(NC(=S)Nc1ccc(I)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 106693373 FXHUFTYIHYVDHZ-UHFFFAOYSA-N 527.727 5.240 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Cl)[C@H]1[C@@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150389167 KSAWMTRQDBHJKO-YCYQBQBNSA-N 753.162 10.352 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 164552672 SZSZHIUSYYTUJQ-QZVQSRICSA-N 803.631 6.045 5 40 KKBB COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C 224770747 RQURTGYTLUYPKQ-WUFINQPMSA-N 559.717 6.383 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225616633 SHBBQIODLOXDAZ-JGCGQSQUSA-N 697.641 6.653 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 408570361 LDIWFYLEPHECFE-HHHXNRCGSA-N 552.628 6.201 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F 408571346 OLAZYFWSDYIJQF-RUZDIDTESA-N 557.047 6.764 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408573958 UHCGPTBFMQVGAC-RUZDIDTESA-N 668.397 7.741 5 40 KKBB Cc1cc(Br)ccc1-c1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1cccc(C)c1C)C2=O 408755809 FTGRHYQVLDEOBB-UHFFFAOYSA-N 515.363 6.903 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6ccc([N+](=O)[O-])cc6)o5)c(=O)n42)c2ccccc2CC3)cc1OC 408757611 NTFCLCATGSBQGW-DDIUQFJASA-N 591.645 5.504 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(C)cc1 408821627 JMUIUPLSLBFLAI-ISZRBDKASA-N 619.699 5.747 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)cc1 408831876 VWTSPNWPVOMWIN-HVDVVURSSA-N 636.686 5.449 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)cc1 408938721 ABJFBHNBKCROCJ-JLKMOJGBSA-N 641.105 6.094 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408980569 FQYXFMWDAWGYTK-WGJPBTIMSA-N 716.599 6.738 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccc(Cl)cc2Cl)cc1 409058466 OXBMKIORFZMXMH-UHFFFAOYSA-N 508.383 5.040 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409173332 PCAJOJCPUVVHBN-FSJBWODESA-N 693.903 6.506 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Oc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 409183175 SCQQGQXPECPHGZ-UHFFFAOYSA-N 712.667 9.594 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 409265540 TUXHNZYVZVPXMF-ZMOGYAJESA-N 631.888 6.908 5 40 KKBB O=c1c(-c2ccc(Br)cc2)c(C(F)(F)F)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 2199669 WZWOBQXADBVFHR-UHFFFAOYSA-N 520.257 6.729 5 40 KKBB biogenic C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3426115 DBNUFTDFUSSDPT-AWEZNQCLSA-N 529.405 5.779 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)Cc3ccccc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 9312134 AQSIZOBBFWXYCY-BPOJBYEUSA-N 502.659 5.503 5 40 KKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3cccc(COc4ccccc4Br)c3)nc12 13643698 WCZFLENCXXERST-UHFFFAOYSA-N 516.424 6.513 5 40 KKBB COc1ccc(/C=C2/N=C(SCC(=O)Nc3cccc([N+](=O)[O-])c3)N(c3cc(C)cc(C)c3)C2=O)cc1 33607873 DJQXBWURKFFHEP-ZVHZXABRSA-N 516.579 5.336 5 40 KKBB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc([N+](=O)[O-])c1)CCC2)Nc1cccc(Br)c1 97979607 OAOHWXXFQJYDHT-RGEXLXHISA-N 572.415 6.578 5 40 KKBB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)nc(-c2ccccc2)c2cc(NC(=O)c4ccc(OCCCC)cc4)ccc23)cc1 98043276 RVMQNEDFBDTHSF-UHFFFAOYSA-N 637.780 9.917 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc4ccccc4c3)cc12 98045664 XOUZMRJNVPUDEU-UHFFFAOYSA-N 528.542 6.041 5 40 KKBB Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(-c5ccc(Cl)cc5)c5ccccc5c4=O)c3)CC2)cc1 100340323 FQWDMRFOODCXBG-UHFFFAOYSA-N 616.099 5.434 5 40 KKBB CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OC/C=C/c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 101509098 UFIBXKSKPRLZFQ-UPAUECKQSA-N 611.651 5.667 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2n1[C@@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 102654858 LNULDUDMECLROO-VPHSIRQSSA-N 600.483 6.794 5 40 KKBB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccc(OC)c(OC)c1 102794833 LTBUDRMEDWGJDI-PRAQEBQASA-N 527.577 6.572 5 40 KKBB COc1ccc(Oc2ccc([C@@H]3C=C(c4ccc(F)cc4)Nc4nc(C(F)(F)F)nn43)cc2[N+](=O)[O-])cc1 102950033 KQTGVHSNZZBLHF-FQEVSTJZSA-N 527.434 6.201 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105321976 ULICCOMMJQZJRF-UHFFFAOYSA-N 530.968 5.723 5 40 KKBB COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)cc1Br 109544783 NUYMZAZVGGBSAP-UHFFFAOYSA-N 513.167 5.504 5 40 KKBB O=[N+]([O-])c1cc2c(cc1Br)[C@@H]1[C@@H]([C@@H]3[C@@H]2C(Cl)(Cl)C(Cl)=C(Cl)C3(Cl)Cl)C(Cl)(Cl)C(Cl)=C(Cl)C1(Cl)Cl 150377880 ZKRPKVLLGLFBDB-IMSYWVGJSA-N 773.591 10.872 5 40 KKBB O=[N+]([O-])c1ccccc1OP1(Oc2ccccc2[N+](=O)[O-])=NP(Oc2ccccc2[N+](=O)[O-])(Oc2ccccc2[N+](=O)[O-])=NP(Oc2ccccc2[N+](=O)[O-])(Oc2ccccc2[N+](=O)[O-])=N1 195785142 DIPGBICDJVNPOP-UHFFFAOYSA-N 963.555 11.762 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223820333 GAIUTUJJXDZBBU-MHZLTWQESA-N 635.570 5.821 5 40 KKBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)cc1 224647759 GEWVRSWGOBTPDO-FQLXRVMXSA-N 533.613 6.750 5 40 KKBB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 224718210 KBQQACKXWMAYAU-IHLOFXLRSA-N 548.624 7.528 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225131059 OILNTAQLZLCJNK-QFIPXVFZSA-N 613.136 5.310 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225313533 YDCHOYGRHCOWGK-LJAQVGFWSA-N 701.242 6.025 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 229945731 PWVRXKYEONVPMP-DCMQHHMNSA-N 590.035 6.494 5 40 KKBB CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N@@+](C)(Cc2ccccc2)C2CCCCC2)cc1 245240285 PRONGAWLQZADHF-BFGHFXMOSA-N 510.783 7.136 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260805028 QQQHFSMYFIPNDL-OAQYLSRUSA-N 726.079 6.934 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260984628 BNZOVVIGMPCDSZ-JQJBXXCASA-N 786.145 7.078 5 40 KKBB O=[N+]([O-])c1cccc(NCc2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)c1 408553551 AORYENPUDNENFN-UHFFFAOYSA-N 571.063 7.073 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 408565316 BQOLTLCPUDGQQY-ZAZCVSCESA-N 532.811 5.794 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 408565939 DIKJXGSZOZHNBQ-SANMLTNESA-N 682.424 8.132 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408728574 OYGAWLPRRQICFG-HOSOATPESA-N 701.562 8.099 5 40 KKBB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 408769963 RDVYGLFKHUIKJY-ZSXMQSLNSA-N 676.751 5.768 5 40 KKBB O=c1/c(=C\c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408770354 WMLGIWVOVQCPHI-GEYGMGCISA-N 723.630 6.181 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 408921353 MZDDSXVBPXFUHD-TZUCAZQYSA-N 627.122 5.751 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 409002191 YVLQVHIJEMKSOP-WJTYMRCSSA-N 689.790 6.555 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(Br)cc1 409151751 BZFMFBQERNBNAX-VXLYETTFSA-N 562.785 5.946 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409153715 IRJOWUANESKRCI-FSJBWODESA-N 601.559 6.706 5 40 KKBB Cc1ccc(-c2csc(NC(=O)CSc3n[nH]c([C@@H](NC(=O)c4ccc(Cl)cc4Cl)C(C)C)n3)n2)cc1[N+](=O)[O-] 409172657 FEYARTAECAGOCE-NRFANRHFSA-N 620.544 6.310 5 40 KKBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409182737 NJGIZVFKCZAIOZ-UHFFFAOYSA-N 659.356 7.553 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409192338 AZGICBKTHLAROP-OGMUYLFESA-N 824.179 7.341 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1cccc(Cl)c1 409211569 ODYSIBKPJWOEPV-SRZZPIQSSA-N 592.798 6.673 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409274952 RKQNLXHRWAIFAB-RQZCQDPDSA-N 531.306 6.615 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(Br)cc3)C2=O)o1 409397954 AJMYXSQEOLDIPO-NVMNQCDNSA-N 635.221 5.171 5 40 KKBB COc1cc(NC(=O)c2nn3c(C(F)(F)F)cc(-c4ccc(Br)cc4)nc3c2Cl)cc([N+](=O)[O-])c1 845285 FWZGFTNKAIJZFG-UHFFFAOYSA-N 570.709 6.000 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 2076741 IZWINJARDHMDOE-AGYDLCDTSA-N 568.221 5.313 5 40 KKBB C[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCC(CCCCCCCC2CC[N+](C)(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 4683890 RNLHPKWUTPSOJV-UHFFFAOYSA-N 566.787 7.647 5 40 KKBB CC(C)(C)C(=O)[C@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 9009575 JWJMOAGUGRHVMR-YSRRZRNESA-N 521.573 5.183 5 40 KKBB Cc1ccc(S(=O)(=O)c2c(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n(C3CCCCC3)c3nc4ccccc4nc23)cc1 97982711 FFHVLRYAFBFKOW-UHFFFAOYSA-N 604.088 7.045 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc2ccccc12 100338309 AHOTUZZKDGZELW-YUMHPJSZSA-N 526.570 6.572 5 40 KKBB CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC 101126941 JUHLQQJCOCXAQM-PVHODMMVSA-N 531.565 5.224 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(Cl)cc1)[C@]21C(=O)Nc2ccccc21 101670481 PNPZEWJZMSIVKO-WFPUBZAHSA-N 590.035 6.494 5 40 KKBB CCc1cc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)oc2cc1OC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C 103632060 OJYJXYOQSWKPPO-HXUWFJFHSA-N 608.566 6.920 5 40 KKBB O=[N+]([O-])c1ccc(Sc2cc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 104825426 XMFGXHSFRFSKLM-UHFFFAOYSA-N 564.426 5.438 5 40 KKBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2cc(Cl)cc(Cl)c2o1 105307858 IRAPKOXVJKXECB-UHFFFAOYSA-N 570.458 6.745 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 107659396 CBOFFVZOJURGPY-UHFFFAOYSA-N 545.960 6.408 5 40 KKBB Cc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)o1 113563307 UOYUVAYFFRAZPI-GWWHUTBASA-N 596.621 5.330 5 40 KKBB O=[N+]([O-])c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1 150353400 ZOYKPLGODAQGNN-UHFFFAOYSA-N 659.749 11.232 5 40 KKBB COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4cccc(OC)c4)n3-c3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(F)cc3)C2)cc1 150409635 LWQGRPDXMZQYJG-HKBQPEDESA-N 695.733 5.732 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccccc1Cl 163916558 HZZOZBJDYCMCDW-MFUBYVTQSA-N 628.888 5.382 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222466930 QNMXNHNSURLLBT-WXVAWEFUSA-N 675.204 5.491 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223568256 UERJVTQZCKVEHQ-INJOXJOKSA-N 741.694 6.969 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223863478 YXKOFFPRTMZTEZ-MHZLTWQESA-N 635.570 5.821 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O 224538484 JDOCTXNKLRTCMX-SANMLTNESA-N 665.596 5.231 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260910719 DAGFCJHGWFOXSP-UUWRZZSWSA-N 690.794 5.659 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408568944 VIYXEUARRWREKR-HTZSSYRZSA-N 534.012 5.372 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl 408576610 XVXYWZKVGAPNRX-LJQANCHMSA-N 550.236 7.233 5 40 KKBB O=c1/c(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408754738 HTGUPTWTNPOSSE-DDIUQFJASA-N 602.628 5.927 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C\c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 408827346 CSEWLFQMRKZCEY-ZSXMQSLNSA-N 660.752 5.987 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1 408921221 MKJASWGGHRXXAJ-SJXDCSIJSA-N 645.759 5.405 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409024880 YQTRNHQSVLUDIL-YDZHTSKRSA-N 656.433 5.017 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409066496 NFGHXVIHSWOPCP-UFFVCSGVSA-N 572.799 6.086 5 40 KKBB COc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 409176423 MXFSRQHPKQJJFD-HHHXNRCGSA-N 536.496 5.185 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C2=O)cc1Cl 409271547 JXHCIZJSPXDKPJ-SRZZPIQSSA-N 543.941 5.200 5 40 KKBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1nc(-c2ccccc2)cs1 6474507 ONPGXMPYIJZVGL-UHFFFAOYSA-N 514.592 5.697 5 40 KKBB O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 9056909 WPNMLYCBXHCSDQ-UHFFFAOYSA-N 500.747 5.608 5 40 KKBB COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3c2)cc1C 20448046 SSXFGSYNLZJBCF-UHFFFAOYSA-N 511.581 5.204 5 40 KKBB CC12C3=CC=CC4=CC=C(C=CC=C1C=C3)C42CCCCCCC12C3=CC=CC4=CC=C(C=CC=C1C=C3)C42CCCCCCC12C3=CC=CC4=CC=C(C=CC=C1C=C3)C42C 95100276 SWHBIFJSJYSHFM-UHFFFAOYSA-N 805.162 15.912 5 40 KKBB O=C1Oc2c(cc3c4c2CCCN4CCC3)[P@@](=Nc2ccccc2[N+](=O)[O-])(N2CCOCC2)N1c1ccc(Cl)c(Cl)c1 97984316 RNBBLJHCYIJTKO-HUESYALOSA-N 628.453 6.940 5 40 KKBB Cc1ccc(N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]2C[C@H](C)N(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3cc(C)ccc32)cc1 102274027 GPINBUBEJZOIEY-YKYAZFJMSA-N 616.674 7.746 5 40 KKBB CCCn1c(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nc2sc3c(c2c1=O)CCC3 103069769 DCDKOAHSUZSWSF-CYBMUJFWSA-N 541.680 5.508 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccccc1Cl)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 103542461 PWVRXKYEONVPMP-IANDGLOUSA-N 590.035 6.494 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 103753656 ZYFPJAJBBVVMGR-FWESEHMYSA-N 609.635 5.551 5 40 KKBB O=C(NC(=S)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105190447 MJFBDOVRMVIOQM-UHFFFAOYSA-N 555.399 6.541 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106727807 HBBGPWCKDAVTCS-NTFVMDSBSA-N 519.582 6.988 5 40 KKBB Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1Cl 107943656 GKZXFSXTGJXYKM-UHFFFAOYSA-N 532.969 5.677 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 111469790 WVCHZMFFJIJSGZ-POKSHJSXSA-N 621.671 5.421 5 40 KKBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 150490805 TWLXATQGOYEXDY-LKUDQCMESA-N 666.731 6.449 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224473023 YCRGNELHWYKHCA-MGBGTMOVSA-N 727.667 6.580 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224516478 MSXMUMGWYOGPNS-YTTGMZPUSA-N 762.112 7.234 5 40 KKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NS(C)(=O)=O 225464330 RKPJSSSPIOGLKA-DQEYMECFSA-N 549.634 5.107 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225679094 GBFKUTCOTKPXPP-LYZGTLIUSA-N 679.623 6.136 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260766359 GPRXKLNEKKILLP-HXUWFJFHSA-N 665.596 5.746 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260984007 OQQGOLKCZUUZPS-GOTSBHOMSA-N 645.178 5.401 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261103460 WRRNZRGAQRDUCU-BNHRFMORSA-N 697.641 6.652 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OC 408571002 MRRNWAIGIHYFEC-SFHVURJKSA-N 527.828 5.509 5 40 KKBB CCn1c(S/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408633178 MBFFZWYXTWZCTF-MXAYSNPKSA-N 562.604 5.687 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408734382 XQQFTWIPWIUULS-QUNTYYFUSA-N 675.075 6.097 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408779266 SYKJMVSPGARKNS-WGJPBTIMSA-N 654.144 6.881 5 40 KKBB Cc1c(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 408917679 ZULUVDRZYYMEHK-AFUMVMLFSA-N 517.994 6.796 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 408998575 RHXXWYJVUMOMHH-PKYOQBLNSA-N 678.561 5.447 5 40 KKBB COC(=O)Cc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5ccc(Cl)cc5)c([N+](=O)[O-])c4)c(=O)n32)cc1 409089049 IHLDELSPVONKAW-CWPZDHDOSA-N 678.188 5.615 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409102167 YGPQNBUBLNMMJI-LAUBZIAYSA-N 633.195 6.125 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 409107070 UNBGDWYTZMOUFA-ZVHZXABRSA-N 642.484 6.019 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl 409154735 KUMNITZITULSIJ-FMCGGJTJSA-N 581.990 5.289 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C 409351501 WSUFRALYQBZOAZ-NRFANRHFSA-N 531.038 5.026 5 40 KKBB O=C(O[C@@H]1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 4974680 VBDBDZHLJKDSSB-QUUJSONZSA-N 569.610 5.864 5 40 KKBB COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(O)c(c3CC[N+]1(C)C)Oc1cc3c(cc1OC)CC[N+](C)(C)[C@@H]3C2 70665687 AREGKUNAFUCJDG-ZWXJPIIXSA-O 638.805 7.149 5 40 KKBB biogenic COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)Nc4ccc(C(C)C)cc4)cc3c3ccnc2c31 70708289 DVSRLCIFJGFHNW-GOSISDBHSA-N 535.600 6.139 5 40 KKBB biogenic Cc1ccc(Sc2ccc([C@@H]3NC[C@H](c4ccccc4Cl)c4c3[nH]c3ccccc43)cc2[N+](=O)[O-])cc1 72189926 JPBHRXMBDJBGIA-BTYSJIOQSA-N 526.061 8.014 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccc2ccccc2c1 101176867 UVAKEQKYGXTWRP-MDVFONAFSA-N 520.589 5.225 5 40 KKBB O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112244000 AZJBBNUINFMYTH-UHFFFAOYSA-N 572.430 5.673 5 40 KKBB CC1(C)[C@@H](NCCCn2c(=O)c3ccc4c(=O)n(CCCN[C@@H]5C(C)(C)[C@@H]6CC[C@]5(C)C6)c(=O)c5ccc(c2=O)c3c45)[C@]2(C)CC[C@@H]1C2 150385095 MJPRHFOANHCPIC-QTQNABHJSA-N 652.880 5.455 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223776445 MKFGYHHLIAUUPE-ZOYWYXQUSA-N 707.647 6.107 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)o1 223953626 KJSYQTLINWXVHX-WUFINQPMSA-N 557.632 5.272 5 40 KKBB C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223984144 KYODYELIQLUTPR-HXUWFJFHSA-N 633.554 5.573 5 40 KKBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224458743 YAAOOXJJJVQVHY-XMMPIXPASA-N 686.014 6.011 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224904026 OHYRLWFPFFNCSZ-SANMLTNESA-N 540.085 5.646 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225669988 JRGXRKUYDPIZGX-OPAMFIHVSA-N 526.486 5.857 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 225692571 NGCAWLXAJAGXKB-SVBPBHIXSA-N 526.622 5.090 5 40 KKBB CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N@@+](C)(Cc2ccccc2)C2CCCCC2)c(C(C)(C)C)c1 245240530 ZKKOEEJLMHFPLK-ZBWWXOROSA-N 510.783 7.017 5 40 KKBB CC1=CCCC(C)(C)[C@H]1/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C\C1=C(C)CCCC1(C)C 255195107 ANVAOWXLWRTKGA-VUHBCVGCSA-N 536.888 12.462 5 40 KKBB CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(Br)cc1 408564046 XFYQNLDSHVJKQT-FLFQWRMESA-N 508.825 6.254 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(C)cc1 408567549 GVJYUMKSGOPUSK-NDEPHWFRSA-N 532.666 6.589 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408637550 AHRGNTUVCCENRO-IITHMQAJSA-N 632.456 5.987 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Cl)cc1Cl 408679918 FOUBGXFYQMEUJO-RAWLKHAVSA-N 626.452 6.034 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408683602 LSQACUFGNJFSAS-SNINSWTHSA-N 702.987 6.361 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408684449 NIWGASCMQDJUPW-SNINSWTHSA-N 692.981 6.906 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5ccc6ccccc6c5C4=C[C@@H](c4ccccc4)[C@H]3C2=O)c([N+](=O)[O-])c1 408729289 AUQOFQBWYHQPJG-XJALMMSUSA-N 546.535 5.278 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4c(ccc5ccccc45)C3=C[C@@H](c3ccccc3)[C@H]2C1=O 408732058 ORUVRULLMUKRTM-QZQBRAAYSA-N 530.536 5.578 5 40 KKBB COc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408755705 DSTLEOQNNMPJQI-UHFFFAOYSA-N 518.323 6.063 5 40 KKBB Cc1ccc(-c2sc(NC(=O)C(c3ccccc3)c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408827843 MVMSCODZIFRZMW-UHFFFAOYSA-N 519.626 7.773 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)cc1OCC 408933032 GUUWWCJZOPTERF-MZXXKLLWSA-N 726.811 6.848 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5sc6c(c5c(=O)n4C)CCCC6)cc3s2)c([N+](=O)[O-])c1 408991781 YQFLHNZOPRAKMZ-UHFFFAOYSA-N 682.831 5.862 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c2=O)=N1 409038902 PUJKXQLUCSJOTR-FQKMCRJQSA-N 686.968 6.171 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409075526 RJFINVFZOKPOKI-SRZZPIQSSA-N 619.799 5.928 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4F)cc3Br)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 409079770 LJYFZHYCUAJHTK-GKTKDVHMSA-N 682.524 5.196 5 40 KKBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1C 409126433 OYHTZYVYVXEDNF-RUZDIDTESA-N 556.733 5.437 5 40 KKBB COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409257479 PLIUMXNHQFDHNE-NHDPSOOVSA-N 676.401 5.584 5 40 KKBB CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)cc1 409275200 SMHAMSKNCSDKSL-YSMPRRRNSA-N 575.599 5.103 5 40 KKBB Cc1cc(NC(=O)COC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)c([N+](=O)[O-])cc1C 12540544 WFUXQKCLZMSJLN-UHFFFAOYSA-N 501.511 6.065 5 40 KKBB O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)/C(=C/c2ccc(Cl)cc2)CCC1 96022519 BICZCMDTWUFBLU-HLYMYNNUSA-N 574.489 6.698 5 40 KKBB COc1cc(Br)c(-c2c(-c3ccc([N+](=O)[O-])cc3)cn3ccc4cc(OC)c(OC)cc4c23)cc1OC 98008992 HXNRGOQADMCWPQ-UHFFFAOYSA-N 563.404 7.132 5 40 KKBB O=C(CCCC(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 100397865 FYYKANVIHNUTQB-UHFFFAOYSA-N 556.527 5.609 5 40 KKBB Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C(=O)c2ccccc2)c1 100815869 LRMCUIZOAANFPL-UHFFFAOYSA-N 535.581 6.854 5 40 KKBB O=C(CSc1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1)Nc1ccccc1C(F)(F)F 100816908 CKYJFQWKIWQTHY-UHFFFAOYSA-N 517.898 5.102 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1 101213100 FVWZUVLOVQAJFF-SMIHKQSGSA-N 507.930 5.088 5 40 KKBB O=C(OCc1nc2ccccc2c2ccccc12)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 102377479 ZHKVVRLZRUITFT-UHFFFAOYSA-N 539.997 5.094 5 40 KKBB COc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1 102581354 LJQSMZNYPPSNCS-UHFFFAOYSA-N 545.433 6.287 5 40 KKBB CCOC(=O)Nc1ccc2c(COC(=O)c3ccccc3Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc(=O)oc2c1 103136871 WBUNUZJLDDLYCA-UHFFFAOYSA-N 588.516 6.797 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1 107992416 JJSRVEBOAMBHPD-RTDHCHSSSA-N 603.550 8.575 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 109636333 IOEHMVNAQXDZGG-XBXARRHUSA-N 557.434 5.360 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)NC(=O)N(Cc2ccccc2)[C@]1(O)C(F)(F)F 110551207 MVACBLJAGZFVNS-SFYKDHMMSA-N 571.480 5.274 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 150353211 AWHPNBWXUBQEGS-ZSAJNUMDSA-N 632.672 6.792 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 222557970 YULLBFNOPQBAJM-XIFFEERXSA-N 642.778 5.511 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223370885 SZWMPMONSQHRSK-SSEXGKCCSA-N 635.142 5.220 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccn(-c4ccccc4)c3)cc2)cc1 224790920 FGKFHRGQXPCIRR-FQLXRVMXSA-N 549.681 7.109 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225357766 NYGMXDDGXBTCIB-SSEXGKCCSA-N 606.745 5.089 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 408566090 DVQQESWHKLCOSH-XMMPIXPASA-N 573.444 6.175 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1cccc(Cl)c1 408569517 JJVWZTVHXHQWAV-VWLOTQADSA-N 617.953 7.388 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)n1-c1ccc(F)cc1 408576722 YECDUPWLGOIBKX-QHCPKHFHSA-N 561.408 6.306 5 40 KKBB C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408639636 GDABGDJBEYBEPQ-LBPRGKRZSA-N 546.750 5.480 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408643091 FNKJRZGNHQGHTH-AGTZKDDFSA-N 592.007 5.381 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 408731186 LASFUMOEHGOUTR-NVZOQZRCSA-N 721.788 5.991 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408734281 WEIQISSBALHACU-WYLTYJJASA-N 644.489 5.291 5 40 KKBB O=C1c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc2ccccc12 408757464 NRTRHLJEMCQOPP-UHFFFAOYSA-N 538.357 7.208 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 408774660 PZVJRDRLKIXKJM-GONGWJOBSA-N 662.724 5.378 5 40 KKBB O=c1/c(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408775716 UKKAKKIJPXJVDY-HWANIQDNSA-N 629.141 6.883 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc2ccccc2c1 408917646 ZCRWDZOVGLXFIX-OGLMXYFKSA-N 540.597 6.962 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccs1 408986200 OMWGZQQOWMLTSV-MNGMOJQWSA-N 634.917 5.444 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409034776 RAOMSRTWPKMSPH-PANBRXNZSA-N 841.646 5.519 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1cccc2ccccc12 409036316 QYAHLVQFTBMVTL-NULZLWRNSA-N 595.633 5.128 5 40 KKBB CCCCN1C(=O)S/C(=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 409060841 YOPWCYMXLLLLEX-WQRHYEAKSA-N 664.259 6.219 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409070049 ZKLNAZADTXBXHO-WSDLNYQXSA-N 525.920 5.458 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409107772 QJZYJFLZDXCBGB-RAWKODRKSA-N 648.770 5.847 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)ccc1Cl 409170431 VRAQUQSOJZGPBL-WYMPLXKRSA-N 664.014 7.301 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c(C)c1 409180073 VFNRRAMKKSUCRI-FSJBWODESA-N 548.533 5.587 5 40 KKBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O 409207584 YACYEULMEXVQLG-BUESGFEBSA-N 524.473 5.784 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)N1CCc2ccccc2C1 409378487 PZPXGBABYKZFCR-CFRMEGHHSA-N 781.366 6.004 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(Br)cc1)N1c3ccc(Cl)cc3C=C[C@H]21 1299419 CASFWPMBCHBMJZ-DFXJHMEVSA-N 592.833 5.592 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(OCc4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 1896819 ICIAMULZLRCHHA-FCEKVYKBSA-N 555.974 5.878 5 40 KKBB O=C1c2cc(I)ccc2N[C@@H](c2c3ccccc3cc3ccccc23)N1c1ccc(Cl)cc1 2748937 JXMHPTYDEALUHC-HHHXNRCGSA-N 560.822 8.022 5 40 KKBB C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3426117 DBNUFTDFUSSDPT-CQSZACIVSA-N 529.405 5.779 5 40 KKBB CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3 6600333 MGPQHBCPQRRBOM-ZDUSSCGKSA-N 502.618 5.253 5 40 KKBB O=C(CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5)Nc1ccc(Br)cc1 53291988 AADDVXUCBYJWQQ-UHFFFAOYSA-N 587.528 6.536 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccccc1OC 100185876 KLYMVVZVIGMDOK-NNAGEYCMSA-N 534.637 5.113 5 40 KKBB COc1ccccc1N1CCN(CCCNc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)CC1 102468875 NTHOEGRHNCNMGA-UHFFFAOYSA-N 560.654 5.574 5 40 KKBB O=[N+]([O-])c1c(NCc2ccc(-c3ccc(Cl)cc3)o2)ncnc1NCc1ccc(-c2ccc(Cl)cc2)o1 102799427 YBTRUYWDRASTAC-UHFFFAOYSA-N 536.375 7.436 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)CCOc1ccc(Cl)cc1Cl 103628910 TYOYJRCUXWBEDJ-KGGMANCPSA-N 583.472 5.534 5 40 KKBB COc1ccc([C@@H]2C3=C(O)C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(C)=O)cc1OC 104161471 DLDJLDQBMJBPGU-AFJIDDCJSA-N 513.550 6.182 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n31)c1ccccc1CC2 104654846 QIQJBYDLGYWUJC-ITNPZBTBSA-N 596.064 6.149 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)c1 150393759 GHELOJJLJPUDKN-USDTVRPUSA-N 627.078 5.704 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccccc1Cl 214992328 YUOMZXJWSROLPQ-ZVHZXABRSA-N 524.982 6.462 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222527332 RVAYYXBLRANMSH-HHHXNRCGSA-N 631.151 5.093 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223505354 TZAYBJLXXWBWSC-AREMUKBSSA-N 635.570 5.819 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl 224076712 PXTIOXPPJSXTFC-FTJBHMTQSA-N 551.024 6.106 5 40 KKBB Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1Cl 224784509 ZUIXCTFSAJYGLS-XZWHSSHBSA-N 598.153 8.071 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 224848311 JBJGFBZSDQLCJR-UMSFTDKQSA-N 654.789 5.797 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl 224972811 NKJPTVZBHFKFIF-LOSJGSFVSA-N 536.997 6.098 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 225203539 WNHFLVGHXZDCBP-SXOMAYOGSA-N 543.605 5.784 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)C1 260924248 SOYMDDDNYJLTRR-OCKPKQIFSA-N 588.133 7.563 5 40 KKBB Cc1cccc(NC(=O)COc2c(Br)cc(CNc3cccc([N+](=O)[O-])c3)cc2Br)c1 408557782 OTSSHRPIRNBMPP-UHFFFAOYSA-N 549.219 6.058 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408565091 HQVREXIWAAZWFI-XABOBXATSA-N 633.326 6.398 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 408565578 CKOKPUKSLJDVCB-XMMPIXPASA-N 579.893 7.234 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3Cl)c(Cl)c1)[C@@H]1CCCN12 408568973 VKWBWWDUBRLMOB-TUPPOGIXSA-N 524.404 5.627 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408572719 RWRPMYSGHQOPMQ-RUZDIDTESA-N 652.398 8.041 5 40 KKBB Cc1ccc(COc2c(Br)cc(CNc3ccc([N+](=O)[O-])cc3)cc2Br)cc1 408610718 RUSVTINXWAIFDD-UHFFFAOYSA-N 506.194 6.619 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4Br)C(=O)[C@@H]23)cc1 408728809 UOFRDCXSWDFWCC-MHDNGKQISA-N 741.594 7.563 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1)Nc1ccc(Cl)cc1 408751439 ZKHCZWCRSGOJCJ-UHFFFAOYSA-N 542.982 5.539 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 408769885 QGVZOACACDNVRN-HZHHUVPKSA-N 711.594 6.132 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409104746 HVBPVPKGOYLYLT-URFJJRPFSA-N 622.703 5.434 5 40 KKBB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 409173567 LYTWWIDIHUCRBU-UHFFFAOYSA-N 689.168 5.599 5 40 KKBB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 409179032 MPBQXXWCPRSRAC-UHFFFAOYSA-N 567.381 7.068 5 40 KKBB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409230347 YKFOOHCBVYWXDR-RGVLZGJSSA-N 514.321 5.587 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 409247427 HFCKTMANZGFSOS-WSDLNYQXSA-N 632.876 6.273 5 40 KKBB CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409274450 DBQRGPNMQMCUIV-YBFXNURJSA-N 505.346 5.065 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409344207 IBFJTEZRBQCGHJ-ZVHZXABRSA-N 612.458 6.010 5 40 KKBB COc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccc(C)cc2)cc1 793888 DWYJZURDKJPSSZ-UHFFFAOYSA-N 519.583 5.111 5 40 KKBB O=C(O)CCCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1 11852466 IIROHKZBIYKAQN-DEOSSOPVSA-N 558.978 5.689 5 40 KKBB Cc1cccc(OCc2ccc(-c3nc4c5sc6nc(C(F)(F)F)cc(C)c6c5ncn4n3)o2)c1C 13644104 KQBSTDKVERLJNJ-UHFFFAOYSA-N 509.513 6.670 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4oc5ccccc5c4c3)CC2)cc1NCc1ccccc1 98043326 LAALMABUIHLVPP-UHFFFAOYSA-N 542.617 5.617 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc([C@H]5CCCN(S(=O)(=O)c6ccc(Cl)cc6)C5)nc34)c12 98046163 IJZBKXXFQISSDQ-ZDUSSCGKSA-N 567.018 5.436 5 40 KKBB Cc1cc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(C)c2)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100009829 AJJPENRHJFFDGY-UHFFFAOYSA-N 600.500 6.108 5 40 KKBB Cc1ccc(Cl)c2c(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc(-c3ccccc3)nc12 100397877 XHQHBHFKIJBBGU-UHFFFAOYSA-N 552.970 7.604 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1cccc2ccccc12 100890685 WDETXSVXCWDCEO-XNTDXEJSSA-N 545.336 6.222 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1 101384081 YTCMZVKJLJTOIT-UCQKPKSFSA-N 524.982 6.462 5 40 KKBB CCOC(=O)c1c(-c2ccccc2)oc2ccc(N(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc12 102628661 NCEWDCWCXAPPKO-UHFFFAOYSA-N 619.051 7.182 5 40 KKBB COc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103553042 KHCVIOANXKIKGD-HPNWTYDNSA-N 571.589 5.460 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 105313655 KOVGGPYRYFMLDV-UHFFFAOYSA-N 554.632 6.367 5 40 KKBB O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 150398437 QIWXZMFJNQFIDL-UHFFFAOYSA-N 618.307 6.485 5 40 KKBB COC(=O)COc1ccc(-c2c3nc(c(-c4ccc(OCC(=O)OC)cc4)c4ccc([nH]4)c(-c4ccc(OCC(=O)OC)cc4)c4nc(c(-c5ccc(OCC(=O)OC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1 150482062 VOALQGAUKPUECD-UHFFFAOYSA-N 967.000 9.531 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl 224072800 FCELKBISWMBBES-RRPNLBNLSA-N 581.050 6.114 5 40 KKBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224445001 DVKUWYJWYJPXHX-RUZDIDTESA-N 607.516 5.040 5 40 KKBB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224763345 HHNKJTVKXHCIGZ-CLJLJLNGSA-N 515.664 6.701 5 40 KKBB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)c1cc([N+](=O)[O-])ccc1Cl 224936287 SRKJTFYMLJXZFA-UHFFFAOYSA-N 501.948 5.333 5 40 KKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 245285572 XRNAPTJIDRDNAA-HCQZIDFSSA-N 727.073 11.014 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 408569117 IXEQQGMQBWJONO-HSZRJFAPSA-N 547.439 7.019 5 40 KKBB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408606554 IPTQQFGOTZKFGY-UHFFFAOYSA-N 519.278 7.863 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)O)n[nH]1 408632589 JSSBGVXDQLYOJO-GRSHGNNSSA-N 533.349 6.173 5 40 KKBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408685163 OVKJJZAJFSPTEA-HZCFWTAGSA-N 682.127 5.290 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 408720530 SYXDGXYAGGCJTK-QYRZKEDASA-N 506.558 5.701 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 408730273 GRCOSIZCSWCYSB-DNXAZHTDSA-N 735.815 6.381 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408770630 ZSAQYTHRURYOFS-IIMDPYCFSA-N 724.586 5.074 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408833538 SXXBYBIYQNWKIL-CRCYZHLCSA-N 727.431 6.119 5 40 KKBB COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F 408975953 NXTWQFXBLXYNAN-KSEXSDGBSA-N 541.507 5.802 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409084203 BWFGASYLIWPPIL-BJYVYPIYSA-N 693.807 5.922 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409167802 NJZDWOFADQNEKY-UHFFFAOYSA-N 695.175 6.353 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)Nc1cccc(F)c1 409221887 VOVBGBDZCSVPSZ-UFFVCSGVSA-N 759.291 6.197 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409268765 ABULMYUKPHOEBZ-WSDLNYQXSA-N 539.953 5.515 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc5ccccc45)C3=O)o2)c([N+](=O)[O-])c1 409272253 FORATXIIOGFTJV-ZVHZXABRSA-N 529.530 5.692 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)o2)c([N+](=O)[O-])cc1C 409344482 JMDGPVMJNWCTQL-NHDPSOOVSA-N 556.394 5.909 5 40 KKBB O=[N+]([O-])c1ccc(-c2cc3ccccc3c3c2OP(=O)(NS(=O)(=O)C(F)(F)F)Oc2c(-c4ccc([N+](=O)[O-])cc4)cc4ccccc4c2-3)cc1 1987964667 NXUIJVIWXOCFAZ-UHFFFAOYSA-N 721.562 9.129 5 40 KKBB CCc1ccc(-c2c3nc(c(-c4ccc(CC)cc4)c4ccc([nH]4)c(-c4ccc(CC)cc4)c4nc(c(-c5ccc(CC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1 2113474285 AJYDLWIDABRYKT-UHFFFAOYSA-N 726.968 13.573 5 40 KKBB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 1867586 DMZDHNIOKDRRLO-UHFFFAOYSA-N 549.120 8.277 5 40 KKBB O=C(CSc1nnc(-c2ccccc2Br)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6474725 NGNFTPXDVYMJJK-UHFFFAOYSA-N 510.373 5.336 5 40 KKBB CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCN(c5ccccc5)CC4)c3)CC2)cc1 9971758 LYCWUFRGDTUPES-UHFFFAOYSA-N 527.669 5.181 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 32115299 GAOGESQFLXHYAU-UHFFFAOYSA-N 508.943 5.682 5 40 KKBB COc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)o2)c([N+](=O)[O-])c1 104085841 DCFVVPXJYZBOIZ-UHFFFAOYSA-N 611.076 5.588 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4c5ccccc5cc5ccccc45)c(=O)n31)c1ccccc1CC2 104655623 OIMXAKNRPBZONQ-HTNWYMAZSA-N 550.683 6.634 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC[C@]5(C)[C@H]3CC[C@@]21C 119031788 FGAOHUMBQGSZQZ-QQEOQBPSSA-N 596.765 8.281 5 40 KKBB CC(C)(C)OC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NSc1ccccc1[N+](=O)[O-] 150383090 ZQGXUHFEYQBNHR-XDSPJLLDSA-N 776.981 7.471 5 40 KKBB O=c1/c(=C/c2ccc(Sc3nc4ccccc4s3)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 163771056 IBVXGHPAVDPICY-LRUGRNCASA-N 620.737 6.581 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 214717797 IOYLWTNLYXLJDS-FOKLQQMPSA-N 545.400 6.726 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C 225169520 FGDBTBYWWQBDHC-SXOMAYOGSA-N 527.606 6.084 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225337269 SXGIDUGPINLWRL-BHVANESWSA-N 733.287 6.850 5 40 KKBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)cc1 225377827 JHVUAKBBBLRSKA-VSGBNLITSA-N 525.634 6.279 5 40 KKBB CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 229600336 JWJMOAGUGRHVMR-XZSHTLEFSA-N 521.573 5.183 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 247351898 WJQJFOJOQAGKLP-YGGCMVMVSA-N 610.453 6.758 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Br)cc1 408566779 GDDXDIAVVCWBCO-RUZDIDTESA-N 662.404 7.497 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(C)cc1 408567684 HCRSNTRCAHFPPL-SANMLTNESA-N 522.602 6.111 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1 408572669 RRYJBXQLRMPNJK-HSZRJFAPSA-N 547.439 7.019 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408575499 WJTVLEURANGTPD-VWLOTQADSA-N 652.398 8.041 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)cc1 408577417 ZJJQPXZFNGNBAL-RUZDIDTESA-N 569.481 6.426 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408654471 QPGBOKDMDYTEOG-DEOSSOPVSA-N 609.547 5.168 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408681722 ILAMDFJMFMVESS-ZBWOKKAISA-N 697.098 5.190 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733951 SWVXKKVDUIZEED-SZYVSPPHSA-N 664.523 6.842 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)S2)cc1 408783015 JFOJJMMBFGBFAW-RWTNITNYSA-N 515.513 6.568 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 408918786 PBLVIDWHDNCWPU-WSDLNYQXSA-N 545.400 6.726 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n21 408958949 XNTXVJNAWUEYSP-RIFKOAFWSA-N 715.626 6.178 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408989939 VROCBJKOOQCVTR-ACHQHTMYSA-N 693.734 5.486 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409011404 GJUIYZCNDJFSAJ-FYJGNVAPSA-N 538.354 5.432 5 40 KKBB Cc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1C 409113159 GWXFMTGVLOQJQK-UHFFFAOYSA-N 504.921 7.283 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 409247643 FBJAYLYWXVIVAS-WSDLNYQXSA-N 677.327 6.382 5 40 KKBB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 409381892 ONTQVCMHTLLHBB-OAQYLSRUSA-N 607.426 5.555 5 40 KKBB O=C(O)[C@@H]1[C@]23c4c5cc6cc7cc8c9c%10c%11c%12c(c4c6c%12c79)[C@@H]4c6c-%11c7c-%10c(cc9c7c7c(cc(c(c67)[C@]412)C[C@H]3C=5)C9)C8 627266079 ZADJNWVKEGRDBR-QJYWHABTSA-N 540.577 7.285 5 40 KKBB O=P1(NS(=O)(=O)C(F)(F)F)Oc2c(-c3c4ccccc4cc4ccccc34)cc3c(c2-c2c4c(cc(-c5c6ccccc6cc6ccccc56)c2O1)CCCC4)CCCC3 1987964664 HNFZRYCMWLGTAP-UHFFFAOYSA-N 839.872 13.377 5 40 KKBB COc1ccc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1COc1ccc([N+](=O)[O-])cc1 1825576 YRPNPOOXXSDXSV-WJOKGBTCSA-N 535.600 6.478 5 40 KKBB biogenic Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc1 3169289 BKKIRLUVBFDBFN-UHFFFAOYSA-N 511.563 6.058 5 40 KKBB COc1ccccc1N(C(=O)COc1ccc(Cl)c(C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3435256 BVZPDCKTWZJZHP-UHFFFAOYSA-N 509.971 6.432 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])n1nc(NCc2cccc3ccccc23)nc1NCc1cccc2ccccc12 97995317 XVQWPQYWWYZEQE-UHFFFAOYSA-N 528.572 6.405 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 100360138 BBPAZCGBXZOVTN-SSDVNMTOSA-N 575.477 6.559 5 40 KKBB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1c(Br)cc([N+](=O)[O-])cc1Br 101575344 DIGNQFRXJBCNTQ-VYKCNYFWSA-N 595.082 5.335 5 40 KKBB O=C(COc1ccccc1F)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 102928508 CUGWAOBSKLDCJW-UONLNWOVSA-N 530.512 5.844 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 106210377 MSRGICYTYQFBLI-ZGOFBEGVSA-N 557.628 5.090 5 40 KKBB O=C(Nc1cccc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccccc1 150484684 CTTPBYSZNUPPPB-VBSNSAIWSA-N 671.529 6.191 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c2=O)=N1 164201024 DEDBPNHILXOGEQ-FJNIOPPGSA-N 895.510 6.292 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223382924 FUJVRSKRZXNRAZ-ZORMNXRFSA-N 642.778 5.653 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223493600 BSSIKDQRBBGJRZ-JOCHJYFZSA-N 661.177 5.103 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224292074 NEDIXSHEUUAFEO-RUZDIDTESA-N 508.018 5.346 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Br)cc4F)o3)cc2)cc1 224788442 XMZYJTOLFHJGQV-WDYNHAJCSA-N 647.551 8.480 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)C1 260924245 SOYMDDDNYJLTRR-GBJTXXJHSA-N 588.133 7.563 5 40 KKBB CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(Br)cc1 408564531 ZDFNBLLAWYVTCZ-FLFQWRMESA-N 508.825 6.254 5 40 KKBB CN1C[C@H](c2ccc(OCc3cccc4ccccc34)c(Br)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565326 JXAPSVIIHRHSQO-KBKXWFDOSA-N 558.432 5.703 5 40 KKBB CN1C[C@H](c2ccc(OCc3cccc4ccccc34)c(Br)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565361 JXAPSVIIHRHSQO-XRHWURSXSA-N 558.432 5.703 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 408565424 BVLZZFZKYOSOIX-VFICKSILSA-N 525.964 5.025 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccccc1 408571138 NTBOBHJLOBSHPF-AREMUKBSSA-N 520.611 5.672 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733948 SUKQEBJBYMTRST-OCDQFKQQSA-N 887.490 7.063 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1)c1ccc(C2CCCCC2)cc1 408750326 LNFLHPVAUZEPPE-UHFFFAOYSA-N 575.668 7.178 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 408829471 OCAHCTYJNHPDPP-PRLWALMFSA-N 604.084 5.247 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408831573 QYXKDZAXZSSKBU-SUAMDDGLSA-N 666.525 5.496 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5ccc([N+](=O)[O-])cc5s4)cc3s2)c(C)c1 408980595 FXMIGJDPSLEOHX-UHFFFAOYSA-N 595.753 6.893 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408997696 SKMMPMNNGBKNGZ-OTHIGLTOSA-N 690.734 6.668 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] 409180918 UVOBFOXYBJEMFC-UHFFFAOYSA-N 536.949 7.457 5 40 KKBB Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2ccccc2C1=O 409183091 RDYUWZGYUXZNRJ-HHHXNRCGSA-N 520.497 5.485 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc4c(c3)C(=O)N(c3ccc(C)cc3[N+](=O)[O-])C4=O)cc2)cc1 409183523 VAHZCOFOENXOMV-UHFFFAOYSA-N 578.533 5.271 5 40 KKBB O=C1OC(c2ccccc2Cl)=N/C1=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1 409190201 MNZJHVHBWRZVJF-GRSHGNNSSA-N 606.610 6.337 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1Cl 409194924 FYDIUOAGWDSDOX-JMIUGGIZSA-N 524.942 5.419 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 409273399 QPBVJEUQAFUJMJ-SRZZPIQSSA-N 556.394 5.909 5 40 KKBB Cc1ccc(S(=O)(=O)c2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2078783 NZONXTBPUOYZOW-UHFFFAOYSA-N 562.512 5.083 5 40 KKBB Cc1cccc(N(C(=O)COc2ccc(Br)cc2)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 3344560 OMSMLRWRTKLXFF-UHFFFAOYSA-N 524.396 6.533 5 40 KKBB Cc1cc(Br)cc2c(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc(-c3ccccc3)nc12 9371787 PMZSTDAXWBUZHI-UHFFFAOYSA-N 505.324 5.921 5 40 KKBB O=[N+]([O-])c1ccc(/C(Cl)=C/c2ccc(/C=C(\Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 68563501 QMZVNISRQXPNKX-QJUDHZBZSA-N 531.264 6.793 5 40 KKBB CCOc1ccc(Oc2cc(Oc3ccc(NC(=O)c4cc(-c5ccc(Cl)cc5)nc5ccccc45)cc3)cc([N+](=O)[O-])c2)cc1 98044610 OQTNNFHTAHXUHT-UHFFFAOYSA-N 632.072 9.699 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)c1ccccc1C(c1ccc(Br)cc1)=NN2c1ccccc1 101070675 YKPHKPXHCRXXMK-LJAQVGFWSA-N 598.482 6.896 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 102191120 NOYOEFCLXORAPK-HREFQMLDSA-N 597.671 6.649 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3c4ccccc4cc4ccccc34)c2=O)=N1 104677330 XSYBQCXPORJQIH-AZJUONQGSA-N 574.746 7.008 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150395724 OZSHRFLDBOOXNK-CTHKJOMYSA-N 716.566 5.884 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 150473106 MQIOIVLVBRQDCM-GVMLUORFSA-N 626.543 6.165 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224576084 TZCLTNLZIMYOJL-MHZLTWQESA-N 535.666 5.003 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224765182 AUDBIUFGNFYVEE-QFIPXVFZSA-N 613.136 5.310 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1Cl 225251287 SPSLTJYALYLSPA-FTJBHMTQSA-N 563.039 5.196 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C 225279991 AFZWWOVZKVZSJK-RRPNLBNLSA-N 543.605 5.320 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260974226 AEWBDIOALSDRMP-IANOAQMISA-N 776.139 7.622 5 40 KKBB COc1ccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 408583255 SWZXTETYWCSMAX-UHFFFAOYSA-N 543.321 5.573 5 40 KKBB O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408682525 JNAIUABHJOHARI-UHFFFAOYSA-N 751.407 7.152 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 408728678 REDVZBFTXOSVCM-SKGAXEKPSA-N 584.220 5.013 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4c(ccc5ccccc45)C3=C[C@H](c3ccc4c(c3)OCO4)[C@@H]2C1=O 408732689 UBCUYZHOOIDPLD-URENDEMCSA-N 574.545 5.307 5 40 KKBB O=c1/c(=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408779968 OVPQMFSFRIFEET-MXJIGVOESA-N 779.510 8.484 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc(C)c(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408846927 LOWGEOUINXXLJF-ISZRBDKASA-N 634.714 6.058 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408933846 AKLWLANILUSUQR-UNDLXJOSSA-N 643.718 5.081 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c2=O)=N1 408992027 QAVKRRFPEJDOEX-NKYAOSOXSA-N 686.196 6.789 5 40 KKBB O=C(COC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1)c1ccc(Br)cc1 409022136 FVWYXUKWKWYIDH-UHFFFAOYSA-N 567.395 7.279 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N=3)cc(I)c1OCc1ccc(Cl)c(Cl)c1 409083033 NIPOHISPWLMYQI-XIHDXPBISA-N 808.478 6.984 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409194695 QJDBBBIBZBRZGF-INJWXVQMSA-N 753.646 5.967 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409243735 XXVTXTKJLRVKMK-YDZHTSKRSA-N 658.303 5.793 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O 409269312 BBFLXPDQAXYCLW-LSHDLFTRSA-N 568.951 5.932 5 40 KKBB COc1ccc(OC)c(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)c1 1859117 RACGIVBNIYXLHM-SSEXGKCCSA-N 585.624 6.901 5 40 KKBB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1 2798688 NTTSYSSGMPEJDS-GFCCVEGCSA-N 546.449 6.131 5 40 KKBB COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CC2 9391269 CTZOYFPUPISULI-QFIPXVFZSA-N 500.910 5.223 5 40 KKBB O=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16384657 OQIWTAAVUJTLCH-UHFFFAOYSA-N 514.287 6.143 5 40 KKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 22832099 SUEAFFPSPGQOHH-UHFFFAOYSA-N 507.757 6.579 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 97980168 RVJNPKVPCKOEAF-OXMMHQGISA-N 540.834 7.992 5 40 KKBB O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 100187112 JXWRLZKRBGOJKN-KYVQNOJUSA-N 527.374 5.781 5 40 KKBB O=C(O)c1ccc(SC2=NN=C(COc3ccc(C4CCCCC4)cc3)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 100288347 YVUGBEAEZOIPNK-HHHXNRCGSA-N 529.618 7.064 5 40 KKBB O=C(Nc1cccc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)n1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 102577543 RQNAWTWMJQRXDP-UHFFFAOYSA-N 591.536 6.987 5 40 KKBB Cc1nc(N2CCCCC2)sc1C(=O)c1ccc(SCc2cc(Cl)cc3c2OCOC3)c([N+](=O)[O-])c1 102921510 VTTROKBCCHGATO-UHFFFAOYSA-N 546.070 6.393 5 40 KKBB O=C(c1ccccc1Cl)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 103562305 YPPHDLHIAYXVKH-DZDVJMQSSA-N 576.008 6.230 5 40 KKBB CCOc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 105990104 GRKVKYDAHGSZLD-CMTIAEDTSA-N 604.413 5.666 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106699990 WRZUNIKEKUUVIB-FBHDLOMBSA-N 546.388 6.724 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2c(Cl)cccc2Cl)cc1 109979254 XSELNUNGSURCEN-UHFFFAOYSA-N 522.410 5.348 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 150390369 JKDUVCMZFAACKV-SFKHYTNKSA-N 630.078 5.782 5 40 KKBB O=C1CCC(=O)Nc2ccc3nc4ccccc4c(c3c2)SCCCCCCCCCCCCSc2c3ccccc3nc3ccc(cc23)N1 150424876 YKAWXDLHFWOICN-UHFFFAOYSA-N 700.974 11.546 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 163673107 IYEBMDSZKIPWAG-PLQLAVCSSA-N 726.811 6.848 5 40 KKBB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 164764017 JPBGBEHGJYNVOJ-UHFFFAOYSA-N 679.636 8.782 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214774500 JVJMHHRNLBKWMH-FSJBWODESA-N 545.400 6.726 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 225076609 ZBTHPYKGHJXAFB-MHZLTWQESA-N 600.499 5.988 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225581294 VAJMZWLVCKFYOB-MUUNZHRXSA-N 649.597 5.532 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225627186 YJCUCCTWMNPDRG-NDEPHWFRSA-N 649.597 5.532 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(F)cc1)[C@@]21C(=O)Nc2ccccc21 229888820 DPAPWPGRWVQXGD-DCMQHHMNSA-N 573.580 5.980 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@H]2C=Cc3ccccc3N12 247326114 NMHDINZUWSXCHF-RYTSNQFKSA-N 500.554 6.345 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccc(Cl)cc1Cl)[C@@]21C(=O)Nc2ccccc21 248337836 QKIIMVJPMJSBIP-AOFBEVEVSA-N 624.480 7.148 5 40 KKBB CC(C)CCC[C@H](C)CCCCCCC[C@H](C)CC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)CC(=O)C[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 263583590 MCQUNSGKFVLGIP-MDZNMDKWSA-O 831.278 13.629 5 40 KKBB CO[C@H](C)C1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3[C@H](C)O 299754510 BEZGXBMGGVINBF-LEWJYISDSA-N 612.727 6.763 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1Cl 408564789 AGTKFJJXYMCTPD-FQEVSTJZSA-N 564.263 7.624 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(F)cc1 408577814 ZZTHBNWUVXTXQZ-VWLOTQADSA-N 617.497 6.574 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 408776892 SCNRIFORSJVDJR-JOHYPREOSA-N 728.248 6.807 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4c5ccccc5cc5ccccc45)c(=O)n32)cc1 408833686 SCZDBJMYPZXSHZ-BPOMCQNBSA-N 609.751 6.806 5 40 KKBB Cc1cc(Br)c(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccccc2)C3=O)cc1C 408996537 PWSXLJCVLMHLMH-UHFFFAOYSA-N 516.351 6.672 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409024332 QQEYPBJNRATJCA-FSJBWODESA-N 609.433 5.175 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC 409105205 HLXAWOMTADTTTJ-PYCBVSLESA-N 691.604 5.362 5 40 KKBB COc1cc([C@@H](c2c[nH]c3ccccc23)C2C(=O)OC(C)(C)OC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409121249 UDAFSKYKFYHYTO-DEOSSOPVSA-N 609.429 6.010 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)ccc1Cl 409158336 XEPYWNLQZSGLDX-CIAFOILYSA-N 555.952 5.360 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409160096 XKJMMWFAADKODM-MFKUBSTISA-N 547.589 5.556 5 40 KKBB O=C(CN1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409180179 PUXVFRFXEUHGDO-ZPGRZCPFSA-N 727.638 6.047 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)c(C)c1 409374512 RNMKBEURTFMGAU-CFRMEGHHSA-N 595.655 5.271 5 40 KKBB CCCCCCC(CCCCCC)n1c(=O)c2ccc3c4ccc5c(=O)n([C@H](Cc6c[nH]c7ccccc67)C(=O)O)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 1585337420 UHFFZPLLEXRHCZ-LDLOPFEMSA-N 759.903 9.795 5 40 KKBB Cc1ccc(C)c(-n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc3cc(-c4ccccc4)sc3c2=O)c1 3330661 SCYFMXLMPLCPCS-UHFFFAOYSA-N 557.653 6.798 5 40 KKBB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3-c2ccccc2)cc1[N+](=O)[O-] 3347323 HGASWIIXWNDCKJ-UHFFFAOYSA-N 521.533 5.408 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cc(I)c(OCc2ccccc2Br)c(I)c1 8431927 RNWQWVZOXPWLHC-JAIQZWGSSA-N 731.078 6.490 5 40 KKBB Cc1c(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1 9274012 XEKHRJBVNSWLPF-FMQUCBEESA-N 512.569 6.776 5 40 KKBB COc1cc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)cc(OC)c1O 79487080 MOFLVQBHUUGVIZ-UHFFFAOYSA-N 503.555 6.335 5 40 KKBB CN(CCCNc1cc2oc3cc(C(C)(C)C)ccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12)Cc1ccccc1 101030555 DPKKZTPXANSIMJ-UHFFFAOYSA-N 545.683 7.172 5 40 KKBB Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)oc2ccc(Br)cc12 101870133 NQTXPDRDBWSOTB-JTQLQIEISA-N 515.238 5.615 5 40 KKBB Cc1c(-n2c(SCc3cc(=O)oc4ccc5ccccc5c34)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C 101972014 YYZJGHPPNPGVFA-UHFFFAOYSA-N 572.646 5.735 5 40 KKBB CC1(C)Cc2c(sc3c2c2nnc(SCc4ccc(Cl)cc4)n2c2nnc(SCc4ccc(Cl)cc4)n32)CO1 102482585 QYKSSQRRNARCQW-UHFFFAOYSA-N 613.621 7.729 5 40 KKBB COC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(C=CC(c3ccc(Br)cc3)=NN2c2ccccc2)S1 102894738 FTJQODQHJADSND-RUZDIDTESA-N 564.421 5.532 5 40 KKBB COc1ccc(Oc2ccc(/C=C(\c3nc4ccccc4[nH]3)c3nc4ccccc4s3)cc2[N+](=O)[O-])cc1 102989393 OMNOYPJDZHTPCQ-LTGZKZEYSA-N 520.570 7.471 5 40 KKBB CNC(=O)c1sc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@@H]3[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C 105604736 OQNSSUDHRTWNRK-AJAAMBESSA-N 532.582 5.429 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 108169100 RJMUPEWQHPEWPS-KEPJHFNWSA-N 617.680 5.071 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 164537720 XDGMNLWNBPWBOE-GSASKQFNSA-N 647.709 5.431 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224886075 CQEMMOVWHIKNME-IBGZPJMESA-N 607.516 5.040 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225503207 KHIWKOUZPAPJKZ-XIFFEERXSA-N 725.239 6.456 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 227544781 PITKDJZMYYQOJQ-ZBVBGGFBSA-N 508.530 5.036 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260844492 BUBCKWVTLIWSED-MGBGTMOVSA-N 727.667 6.579 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 408566076 DUDTYBHWAIOSDY-HSZRJFAPSA-N 528.993 6.066 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc4ccccc34)c(Br)c1)[C@H]1CCCN12 408568438 ULMQALLGCCRQCF-GYZUZPTJSA-N 584.470 6.236 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 408568828 UUEKCJHSZCJKAC-SIJZCSJPSA-N 568.457 6.026 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 408570676 LVSZSQXAXNVHDX-RUZDIDTESA-N 535.582 5.572 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4)c(I)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729732 IXRDVIZHAKPBBL-TZUCAZQYSA-N 873.463 6.755 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cccc(Br)c3)c2=O)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408733681 ZMIGDDORMULCSD-DQARITGZSA-N 664.534 5.166 5 40 KKBB O=c1/c(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408757705 PAUIIRWNXYRESU-PKYOQBLNSA-N 566.038 6.140 5 40 KKBB Cc1ccc(N2C(=O)c3cccc4c(-c5ccc(Br)c(C)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408757755 QOGAXKIPARGWDK-UHFFFAOYSA-N 501.336 6.595 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)c1 408931956 AENRAHCCVKUOOO-QRVIBDJDSA-N 582.432 5.920 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408940035 NUOPOGQEHQUXGK-UAMLYEQYSA-N 678.163 5.735 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 408999402 KURHJCCVSUPQJQ-MFCBUNOESA-N 713.404 5.811 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409038578 PLIPDODQMYPHCZ-OCDQFKQQSA-N 722.614 5.844 5 40 KKBB CC1(C)OC(=O)C([C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c2c[nH]c3ccccc23)C(=O)O1 409120277 SVVLFCYTYQQQIE-XMMPIXPASA-N 534.952 5.893 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 409162579 GBZSGHKVYSSQLL-UFKHLRDRSA-N 649.725 6.199 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409200373 LBNPWACLZJCWSG-AWQFTUOYSA-N 554.499 5.650 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409238884 LYBZLLGPESCAMJ-FOKLQQMPSA-N 632.876 6.273 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1C 409272888 HWKVPJIILMMIGH-WGARJPEWSA-N 540.601 5.890 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409329671 GWDDOPHNCGQCST-YDZHTSKRSA-N 785.354 6.457 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cccc(C(F)(F)F)c2)cc1 19856053 IQORIUJSAPQPEN-UHFFFAOYSA-N 507.490 5.064 5 40 KKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 22832103 PLDNNGPMQXABDJ-UHFFFAOYSA-N 507.757 6.579 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N1CCC(CCCC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 59474647 YBTCZLVTPMFSHO-UHFFFAOYSA-N 508.575 5.078 5 40 KKBB COc1ccc(N(CC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 60061025 VNSQJHUCVYXCOE-SSEXGKCCSA-N 559.644 5.321 5 40 KKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc(OC)c1O 79193951 URXLPDZHVSVPBS-UHFFFAOYSA-N 503.555 6.005 5 40 KKBB biogenic CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccccc1C 100339101 MDCWBANDSYQTJH-MFKUBSTISA-N 547.589 5.556 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc3ccccc3c2)ccc1Cl 102973914 IBHHAARZPOGCET-UHFFFAOYSA-N 537.402 5.639 5 40 KKBB CCCc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103332730 RPAXCEFFCPZUKA-HREFQMLDSA-N 597.671 6.794 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 103533412 ZYXGEGNZIYMEEU-YCHSVXFSSA-N 555.590 5.885 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(c1cccc3ccccc13)=NN2c1ccccc1 103757257 FECPAFXNHOYCRP-UUWRZZSWSA-N 599.672 7.261 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n31)c1ccccc1CC2 104654712 STQXRQIQPKSYAC-UNDLXJOSSA-N 561.619 5.496 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 106695690 PIQBJXMAZWRJJL-UUYOSTAYSA-N 508.483 5.198 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2-c2cccc(C)c2)sc2c1CCC2 150390232 ASJDIWQLHMAOGN-UHFFFAOYSA-N 634.740 5.180 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c2=O)=N1 150393938 QDWYEGWTQUSPMT-FUFNRSNVSA-N 682.549 5.526 5 40 KKBB CCCCCCc1nc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)n(C(=O)c2ccc([N+](=O)[O-])c3cccc(C(C)=O)c23)n1 150522994 WOXVLISVUFPLIA-UHFFFAOYSA-N 634.605 6.215 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 205755025 HZYWWSHYNCYGOT-YDZHTSKRSA-N 695.329 7.176 5 40 KKBB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224709084 FFCCNSCPPCKWMM-OAQYLSRUSA-N 643.560 5.029 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccn(-c4ccccc4)c3)cc2)cc1 224790786 FGKFHRGQXPCIRR-VMPREFPWSA-N 549.681 7.109 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 229984806 OZHQHXSCWYIWIL-CKPORNQBSA-N 541.563 5.577 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 408565751 CZVZXIBWFJOKOQ-XMMPIXPASA-N 512.994 6.366 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 408577430 ZLVQVJSBGGXDPS-DEOSSOPVSA-N 563.894 7.533 5 40 KKBB COc1cc(CNc2ccc(Br)cc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408611762 RGMDGNNRUBYVKW-UHFFFAOYSA-N 583.220 6.470 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408688352 WAZNQKQJKJOZNW-UHFFFAOYSA-N 573.603 6.715 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733713 OTGFSNLDLLMUFE-MQIAMDAWSA-N 688.940 5.400 5 40 KKBB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 408818391 VJPQZWCHMQVLQQ-HJWKHUTRSA-N 523.034 7.562 5 40 KKBB Cc1ccc(-c2sc(NC(=O)c3ccc(-c4ccccc4)cc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408825198 JHOLLTVBJAEJKN-UHFFFAOYSA-N 505.599 7.921 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408825684 FLAXAEIWKQARAI-WAHKBFHJSA-N 755.174 8.027 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5C)o4)c(=O)n32)c1 408834384 YPUZNEDXEOUUQI-JLKMOJGBSA-N 606.660 5.359 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccc2ccccc12 408872480 FEDHOCIVMOWKEW-USDTVRPUSA-N 579.634 5.428 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 409035992 KUHCHCOGBCCMMA-XDYZZPCYSA-N 715.626 6.261 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]32)c2ccc(OC)cc2)cc1 409043944 AGFPNYNXJSISNF-ALMNYQQGSA-N 522.557 5.344 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1C 409158173 XTSUUCHIDMRDCH-FSJBWODESA-N 548.533 5.587 5 40 KKBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O 409179706 RUYYSOZNMLEJBP-UHFFFAOYSA-N 504.804 5.425 5 40 KKBB O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2-c2nc(O)c3c4c(sc3n2)CCCC4)c([N+](=O)[O-])c1 409253676 GKDZMSGHVADLJP-UHFFFAOYSA-N 543.355 6.314 5 40 KKBB COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409394226 XJRPUTKRMASNFE-FMCGGJTJSA-N 521.982 5.223 5 40 KKBB Cc1ccc(NC(=O)N2[C@@H](c3ccccc3)COC23CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC3)cc1 12954852 LZRPHMIOPCZCDG-XMMPIXPASA-N 585.539 6.432 5 40 KKBB CC(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCN(c5ccccc5)CC4)c3)CC2)cc1 13632997 OCTDSPRVDLXIEX-UHFFFAOYSA-N 513.642 5.007 5 40 KKBB Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(-c5ccccc5)c5ccccc5c4=O)c3)CC2)cc1 29503475 YJDUZFAKNXZZEQ-UHFFFAOYSA-N 545.599 5.232 5 40 KKBB Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1cc(Br)c(Br)s1 97948409 UPUUZPZKIOXKFE-UHFFFAOYSA-N 567.672 5.361 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 100308016 UUMGVPAVMBFNCK-MIUGUJGPSA-N 613.095 5.363 5 40 KKBB Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c1)C2=O 100354739 YDTYJUCAJSONLY-UHFFFAOYSA-N 559.534 6.401 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)cc2[N+](=O)[O-])cc1 100369218 FTOCHVCHFNDIJA-UUYOSTAYSA-N 531.442 7.598 5 40 KKBB O=C(/C=C/c1ccc(Cl)cc1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 102969623 HCBIWLTWSUYYOV-BPOQCIFTSA-N 542.979 6.993 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)[C@H](C(=O)c1ccccc1-c1ccccc1)[C@@H]1OC(=O)c2ccccc21 102971352 VIMRAHCTUDYZIT-LITSAYRRSA-N 534.524 5.489 5 40 KKBB COc1cccc(C(=O)[C@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 103529140 HJDDQLIAYWPZHU-GCZHVTBPSA-N 571.589 5.585 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105313264 WABGVDLDCJJJDK-UHFFFAOYSA-N 568.998 7.596 5 40 KKBB COc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1ccccc1Cl 105315005 GDUIQEQXEDPCCV-UHFFFAOYSA-N 550.980 5.896 5 40 KKBB CC(C)[C@@H](NC(=O)CNC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NSc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C 150383063 JVADZRVXECAVKU-MFACQUFMSA-N 728.937 6.884 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163623476 FMIRPFPGHMLPRB-ZMUHTPIZSA-N 674.879 5.452 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 223992835 QQQFQXGVFRORRG-NRFANRHFSA-N 677.607 5.890 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224358966 TUJPXKQKLDKQRN-RUZDIDTESA-N 508.018 5.346 5 40 KKBB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224760858 WSRHYOVRMXKJAT-GOTSBHOMSA-N 504.662 6.688 5 40 KKBB CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224780312 LZFXIOMGQZFGMV-UIOOFZCWSA-N 515.664 6.701 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 224848381 ROTFTENDAVWMOA-UMSFTDKQSA-N 654.789 5.797 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261055823 MVAAUTYWSRRLLU-CMVGPNDKSA-N 642.778 5.653 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1)c1cccc([N+](=O)[O-])c1 408639794 ZPKYWDOCCDMEJC-HSZRJFAPSA-N 536.540 5.833 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 408640836 IZTGHCUOSUKSEG-CQLNOVPUSA-N 610.450 6.355 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3cc(C)ccc3C(C)C)cc2)c1 408671054 SFVQPIKFIZRMAA-UHFFFAOYSA-N 549.580 5.728 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408679456 FEVLQOKMNAFSNN-TUSFPTNYSA-N 642.081 5.738 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(Br)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 408768428 IYNWPSQSHHJUGB-OIUASMPBSA-N 790.490 6.895 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 408830926 ZBIQIRBSXJIIFD-ZSJKCPIUSA-N 703.398 6.355 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1 408927702 XDZCJGGLMBWKNT-USDTVRPUSA-N 615.733 5.396 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O)Nc1ccccc1F 408932310 VLEDAVJNLOXXOU-YSMPRRRNSA-N 557.559 6.141 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408934893 DGECTTDZNQXIHG-FVUNBJOLSA-N 636.730 5.497 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)cc(I)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408947828 OHDFEZPSWSFSMV-KFOJKGMOSA-N 898.517 6.969 5 40 KKBB CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409115030 GOUZGURYPNDZGP-UHFFFAOYSA-N 552.796 6.751 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(I)cc2C(C)C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409137010 UNSZBBGMWPSGQS-HSZRJFAPSA-N 650.543 5.792 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O 409188656 JFZKUHLWLIBTQA-ORAUUZGKSA-N 588.197 6.627 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409220408 YVTVBKZQMBYFQV-SSDVNMTOSA-N 614.386 5.986 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409244110 XUOHUQDJNFHJHQ-SSDVNMTOSA-N 571.970 5.650 5 40 KKBB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(Br)cc2)C3=O)cc1 1404711 VDMLERAVLXWDAE-XMMPIXPASA-N 519.355 5.896 5 40 KKBB O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(Oc4ccc(-c5nnc(-c6cccc([N+](=O)[O-])c6)o5)cc4)cc3)o2)c1 3142745 JWXSWFHNDOIBGQ-UHFFFAOYSA-N 548.471 6.729 5 40 KKBB O=C(Oc1ccc(C(c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)(C(F)(F)F)C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 4017301 VELPWSRYQPYFSM-UHFFFAOYSA-N 634.441 7.352 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1 8754128 YTCMZVKJLJTOIT-OEAKJJBVSA-N 524.982 6.462 5 40 KKBB C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)[C@@H]1C 12546353 FZXVXSHYLHIXTC-SPYBWZPUSA-N 506.550 5.986 5 40 KKBB COc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c(C)cc1[N+](=O)[O-] 16043469 BMUDHFIBEXYFQY-UHFFFAOYSA-N 513.963 5.196 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59331437 GHMSJCIXZCCKFU-UHFFFAOYSA-N 519.558 5.659 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6cccc(C(F)(F)F)c6)o5)nc34)c12 98046187 YNMSVGAIYUOFPD-UHFFFAOYSA-N 531.466 6.991 5 40 KKBB Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5CC=CC[C@H]5C4=O)cc3)cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2c1 100395962 PACCGPUMUMRRQJ-PLQXJYEYSA-N 575.577 5.614 5 40 KKBB Cc1cc(C)cc(N2C(=O)[C@@H](C)S[C@]23C(=O)N(CN2CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC2)c2ccccc23)c1 101514935 MEPMRLKYLAPBKL-IIMAJNMQSA-N 625.673 5.678 5 40 KKBB CCCCOc1cc2nc3c4cc(Br)cc(Br)c4n(CCC(C)C)c3nc2cc1OCCCC 102410831 ZIXZYHZEPUDMSQ-UHFFFAOYSA-N 591.388 8.667 5 40 KKBB Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)oc(=O)c2cc(S(=O)(=O)Nc4c(C)cc(C)cc4C)ccc23)c(C)c1 102415353 AFICRIKRXPRDQS-UHFFFAOYSA-N 590.723 6.398 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc4c(c3)OCO4)CCC[C@H]2[C@H]1c1ccc2c(c1)OCO2 102928410 VXGNXCVRIIXHSM-QVLFLLHISA-N 610.623 5.326 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 103789866 NCBGAWXBKJXNDQ-DDIUQFJASA-N 627.719 5.418 5 40 KKBB O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 104614412 UCLMGPVUZCWAHA-UHFFFAOYSA-N 528.801 5.385 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Cl 105306571 JNJGGGSENGVZOP-UHFFFAOYSA-N 552.012 5.328 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 106701721 YALYASYPIGTBHK-FMCGGJTJSA-N 544.507 6.959 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(C)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)c([N+](=O)[O-])c1 111472900 XIWHPJGXBSKTQW-UNDLXJOSSA-N 606.660 5.359 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1Br 150450895 KHLJOYIAPCVLOW-FVYOSNSJSA-N 650.485 6.348 5 40 KKBB Cc1cc(Cl)cc(Cl)c1CNc1ccc(S(=O)(=O)c2ccc(NCc3c(C)cc(Cl)cc3Cl)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 164702754 VRDNZGDLHXWKQW-UHFFFAOYSA-N 684.385 8.790 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3Cc3cccnc3)cc2)cc1 224767543 ZDROJWUGFQZLJY-URLMMPGGSA-N 564.696 6.563 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225500753 KOTOVBTWADMYRC-UMSFTDKQSA-N 690.794 5.803 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225700916 LAPPBKFNQBEHPG-QFIPXVFZSA-N 675.602 5.059 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261014405 HHVRDXRHNWZHCS-IANOAQMISA-N 776.139 7.622 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408571656 PKHDKXXOLKIXRI-XMMPIXPASA-N 529.449 6.880 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(Br)c2)n1-c1ccc(Cl)cc1 408573616 TYJUIWOAJWRPTD-HHHXNRCGSA-N 609.933 7.834 5 40 KKBB Cc1ccc(COc2ccc(Br)cc2[C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1 408575912 WZUJJECHZWHAPT-XMMPIXPASA-N 539.455 6.336 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)cc1 408645753 IBXVUJMFBUYOGR-YNPPORQASA-N 727.751 5.803 5 40 KKBB Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)CC3=O)cc2)c1 408653743 FPYQDKIQVOKVCY-NRFANRHFSA-N 545.592 5.662 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733789 QZYRRTIJJWDQFA-YRSDHNRQSA-N 684.941 7.187 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408755797 FSBADJROSMRIFW-HDFSHUSISA-N 531.593 5.487 5 40 KKBB COc1ccc(-c2sc(NC(=O)c3ccc(Br)cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408823696 FWQBBQWMQLFQJM-UHFFFAOYSA-N 510.369 6.409 5 40 KKBB COc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)c(C)c5C)c([N+](=O)[O-])cc(c34)C2=O)cc1 408996133 OFRUHELADHCCCN-UHFFFAOYSA-N 546.377 6.680 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c2=O)=N1 409043734 ZIIZNEYNFRYNPR-UAMLYEQYSA-N 648.137 5.728 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc5ccccc45)c(I)c3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 409079881 JYMWOYJMTUJQAD-UAMLYEQYSA-N 857.464 6.648 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CCCc1ccccc1 409123983 INZPBMMLQFGLPA-HZHRSRAPSA-N 587.879 7.259 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409152913 GMAPVUMERVKXTQ-ZMOGYAJESA-N 565.629 5.579 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)o2)c([N+](=O)[O-])c1 409164459 ITAZDGRXQRJILW-CIAFOILYSA-N 507.524 5.155 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 409175460 ZJEISAMGOJVIDU-AREMUKBSSA-N 540.915 5.830 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 409191507 XTORHXWXZQVYGI-JKYQMCTKSA-N 632.648 6.737 5 40 KKBB S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCN(c2ccccc2)CC1 409331365 BUPNEBXVQFREBL-UHFFFAOYSA-N 501.619 5.398 5 40 KKBB COc1cc(-c2c3cnn(C)c3nc3c2oc2cc(O)cc(O)c23)ccc1OCCc1ccc2c(c1)CCO2 524730349 GHRRTTCNWXTGMA-UHFFFAOYSA-N 523.545 5.511 5 40 KKBB biogenic CCOc1ccc2nc(Sc3nc(Nc4ccc(C)cc4)nc(Nc4cccc([N+](=O)[O-])c4)n3)sc2c1 1742490 LJQSQXFBPQQPTE-UHFFFAOYSA-N 531.623 6.735 5 40 KKBB CCc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2435176 VQUZVODFPIGLHD-UHFFFAOYSA-N 509.953 5.276 5 40 KKBB Cc1ccc2oc3cc(NCCN4CCc5ccccc5C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 9016096 FSRCITYAHTYLFP-UHFFFAOYSA-N 501.586 5.720 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)n1nc(NCc2ccc(Cl)cc2)nc1NCc1ccc(Cl)cc1 101700382 FUBTWJBDOFEPPP-MDWZMJQESA-N 523.380 6.071 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)C[C@H](C(C)(C)C)C2 104587691 XFUTULXEMAAZEY-XKHWWQQASA-N 599.709 7.546 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 105403796 GTSSGDKGHZKVES-QRVIBDJDSA-N 559.427 7.116 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 222904783 UGTPMFKXKKPFKH-AREMUKBSSA-N 588.488 5.701 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223325682 HZESKNFTKGRZRO-SSEXGKCCSA-N 635.142 5.220 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224239526 UYVICIWZIJMBPZ-UMSFTDKQSA-N 686.831 5.970 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224885965 PSTMBMMDHOQHCV-IBGZPJMESA-N 607.516 5.040 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225551666 CGMIVQQCGUMVJC-UMSFTDKQSA-N 751.700 6.426 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408564710 FBFHUVXAZJUSBG-RRHKGSKTSA-N 572.843 5.258 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1F 408569195 JBVOKYFPIVXLJO-DEOSSOPVSA-N 587.471 6.483 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(F)cc1 408571362 OMXMFGSXRXQFJB-QHCPKHFHSA-N 516.957 6.196 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl 408577103 YOJNUSOSRIKGCH-BWBSTZKSSA-N 528.392 5.149 5 40 KKBB CCn1c(S/C(=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408631623 GATJJEVKYFSUPJ-WGARJPEWSA-N 592.630 5.696 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408650066 ZHZOOVZFVVUWKN-ILBGXUMGSA-N 573.989 5.622 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408685329 PBIUSIWSZIKDNE-SNINSWTHSA-N 692.981 6.906 5 40 KKBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(Br)cc1 408688123 VTMMKLKZWLIFRZ-UHFFFAOYSA-N 646.064 6.507 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5ccc6ccccc6c5C4=C[C@@H](c4ccc5c(c4)OCO5)[C@@H]3C2=O)c([N+](=O)[O-])c1 408730427 GFJRNTKYEOJQSL-JCCGMUQBSA-N 590.544 5.007 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408734511 HFOZDNOQLLYKPS-UTAOYMJKSA-N 592.717 5.902 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408828199 LRMOBXBIODWDOC-UDHMSBBDSA-N 650.757 5.805 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408930983 FTNKIZNICQYCSR-QRVIBDJDSA-N 612.458 5.928 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1CCc1ccccc1 409195393 IGWADVXEKQPVIJ-LPYMAVHISA-N 593.377 7.447 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1C 409271871 DKBDIIFPDXCVCP-MTJSOVHGSA-N 504.524 5.074 5 40 KKBB CCOC(=O)C1=C(NC(=O)c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)S[C@H]2CCCC[C@H]12 16682576 YXEFIVSGCPRGED-PXNSSMCTSA-N 502.976 5.851 5 40 KKBB CCOc1ccc(N=[P@](Oc2cccc(Br)c2)(c2ccc(C)o2)C(C)(C)C)c([N+](=O)[O-])c1 21487137 GYXJJLSMDMRONT-YTTGMZPUSA-N 521.348 7.608 5 40 KKBB CC(C)(C)c1cc(COC[C@H](COC(=O)c2cccc([N+](=O)[O-])c2)OC(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1O 104830263 MOYPYCKHDPQNCM-RUZDIDTESA-N 608.644 6.403 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105306099 NIFDEXWSJZEHRW-UHFFFAOYSA-N 536.013 6.174 5 40 KKBB CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 105990073 NYRYWQSYAOLPJN-MQSCRBSSSA-N 588.798 5.166 5 40 KKBB Cc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)Nc3ccc(S[C@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)c4ccccc4)cc3)o2)cc1 150483255 WEAVAUKNFJBWMH-MLLBNVASSA-N 708.796 9.045 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(-c4ccccc4)n3Cc3ccccc3)cc2s1 164035727 KDJKDRAJYNHIRO-UHFFFAOYSA-N 654.799 7.543 5 40 KKBB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223169620 KWKLFUVRTZYUAV-NRFANRHFSA-N 665.596 5.748 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223776311 ZSHZVZGYRJSWPD-ZOYWYXQUSA-N 707.647 6.107 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)C(C)C 224104338 NGVIAMATOJAZDS-SXOMAYOGSA-N 540.649 5.861 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224768638 OFYMNGSFJYFWNC-XIFFEERXSA-N 640.762 5.489 5 40 KKBB COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224782744 FVAJKRQXIZNLAA-KYJUHHDHSA-N 579.707 7.117 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225339345 ITFWWFJOYXUBTD-SANMLTNESA-N 621.543 5.431 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225375741 QIAAQJANDSBPFP-JGCGQSQUSA-N 663.196 6.000 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225398359 ZAQWBQMMIJZHGL-FGZHOGPDSA-N 661.177 5.101 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225471306 CEEJQMYSANXMIO-LJAQVGFWSA-N 691.634 5.765 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260825641 ZPJREEACVVDXSD-OAQYLSRUSA-N 661.152 5.376 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260909192 FPFZTXWXIYKGRK-LVXARBLLSA-N 663.168 5.622 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408564020 CBHVFFWHQSHPTG-LHJUMPSXSA-N 523.589 5.339 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408564959 GUOFDSZWBGIMJQ-WSNNEZGNSA-N 516.356 5.233 5 40 KKBB Cc1ccc(COc2ccc([C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccccc54)[C@@H]3[N+](=O)[O-])cc2Br)cc1 408565006 HCAQSLFQIVOPEH-DTOIDXSMSA-N 548.437 5.391 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1 408566300 FGNAMEPYCZGFQE-HHHXNRCGSA-N 613.534 6.825 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408732879 AEROXMUAAIMSKH-IZBTWGKQSA-N 628.888 5.382 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 408733286 WZPCREGRXILSDE-FWDASRDPSA-N 576.561 5.287 5 40 KKBB O=C(Oc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1)c1ccc([N+](=O)[O-])cc1 408756231 OUBLZLLSOGVESR-GTIUJOIGSA-N 635.701 6.599 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408766570 VOFJJAPBWHECST-DWLKXISJSA-N 677.735 5.440 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)S2)cc1 408778967 NSZNMOJFTWDRHF-PNZYDNNZSA-N 540.439 6.098 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408815263 QUNPPFLUJQSOKW-MXLMUYMQSA-N 840.465 6.929 5 40 KKBB COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3)s2)cc1Br 408820933 APTWUSUCDCMQLO-UHFFFAOYSA-N 524.396 6.717 5 40 KKBB O=c1/c(=C/c2ccc(Sc3ccc(Cl)cc3)o2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408839598 UPKLOXMPXNYNNV-LRUGRNCASA-N 598.105 6.625 5 40 KKBB O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408842816 LAABGRREYMCWBY-SELCLYCASA-N 620.618 6.067 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409033752 LNFXOTGWZNGNBU-XSTKMXAKSA-N 767.611 5.752 5 40 KKBB CCOc1cc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 409125668 AKBXBUMBPKWHRA-PSXMRANNSA-N 634.132 8.587 5 40 KKBB O=C1S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C(=O)N1CC1CCCCC1 409130871 NWRUAYWEUAORHG-WGOQTCKBSA-N 502.592 6.944 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cccc2ccccc12 409147542 XDPQBCYCHUDCJX-UQDCTOEPSA-N 600.052 5.773 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)F)c1)C2=O 409178880 OIGVTZUUIFCSED-SANMLTNESA-N 574.467 6.195 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(Br)c(Cl)c1 409193961 IYASTXPELKIVCA-ZVBGSRNCSA-N 656.820 7.497 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409233261 ULCQJSPYZHPWQA-ZVHZXABRSA-N 598.033 5.910 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409250829 OCWWLIGOBNDOQR-YDZHTSKRSA-N 613.852 5.684 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409339949 NFTJVRQYRFLBBZ-ZVHZXABRSA-N 612.458 6.010 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc(Cl)cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 1809389 UTSKPBSVUGXZSY-CLWMVSBGSA-N 590.035 6.494 5 40 KKBB CCCC1=C(C(=O)OC)[C@@H](c2ccc(Oc3ccc(OC)cc3)c([N+](=O)[O-])c2)NC(=S)N1c1ccccc1 3404268 NTVQGGDDSNKCDS-AREMUKBSSA-N 533.606 6.059 5 40 KKBB CCC(CC)(C(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1 5545228 QWYNMGVUQLLCRD-UHFFFAOYSA-N 544.611 6.060 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1 16611055 QFZBVUXYYXJFST-AWEZNQCLSA-N 508.987 6.697 5 40 KKBB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2cc(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 16779783 SIMNMWSEDQTMLS-UHFFFAOYSA-N 523.567 5.142 5 40 KKBB O=C(OCC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 20533702 OKJJLZAVKVGGHB-UHFFFAOYSA-N 530.669 5.633 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 103557168 ZKUCCZHPJRVQSP-CJRSTVEYSA-N 533.462 5.012 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1 106686291 JJRATIXCFRHEKS-UUYOSTAYSA-N 559.825 6.826 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1Cl 215118784 CDNIOSOVHCDTSL-ZVBGSRNCSA-N 552.889 7.435 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)c1 224819323 HHKLJLLNLQDSDP-RPBOFIJWSA-N 502.552 5.444 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408572597 RJPPTWGXUWHDAC-HSZRJFAPSA-N 624.344 7.343 5 40 KKBB O=C(O)/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)Sc1nc2ccccc2[nH]1 408634822 VDKSEZZYPGMHMS-MTJSOVHGSA-N 526.368 6.030 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408650320 MIAMCFKOMJAKQP-YASBFDIKSA-N 694.656 6.428 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408689707 YWVNADFVHPUUPW-UHFFFAOYSA-N 573.603 6.715 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408776275 YAXAIHBBQFIWJW-MIUGUJGPSA-N 584.028 6.279 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408825648 DKMBUOOIEUFOGH-USDTVRPUSA-N 594.624 5.490 5 40 KKBB COc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1 408839345 QXUJKCKPJLCURL-UHFFFAOYSA-N 521.938 5.372 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408934890 DFISRSISOYUPLA-FJNIOPPGSA-N 767.611 6.355 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1cccc(Cl)c1Cl 408990596 LCYUJWSLMBISGG-KBXFHMSTSA-N 673.581 6.367 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408997599 HICWZFSYMKMSTL-WAHKBFHJSA-N 709.802 5.735 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 409000695 ZOEMBZOKWULMDN-ZSJKCPIUSA-N 622.497 5.346 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409031867 BSOUROQYKZMKQQ-PGUFECHJSA-N 801.068 5.652 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)c2=O)=N1 409037228 SSGXMMLDFUDJHY-RISWYLRJSA-N 624.502 5.592 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409038122 UTSQRHWEHRDVQN-SILQVNICSA-N 791.504 7.151 5 40 KKBB COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409058686 VBRCEYUNJMWCJD-XKZIYDEJSA-N 541.379 6.186 5 40 KKBB COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)c1 409192203 AABLGZTWGCHIJH-BHFPBWTASA-N 767.673 6.355 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409194429 LHNXTOSQUNDLFZ-FHQMNNMHSA-N 751.674 6.738 5 40 KKBB O=C1S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 409239258 MIICBRYPNDCKCG-SRZZPIQSSA-N 638.721 7.589 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409241189 RYOJCRLZFVYVEK-YDZHTSKRSA-N 521.957 5.627 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409269488 CFTWUIBKOLIVNO-CVKSISIWSA-N 561.616 5.864 5 40 KKBB COc1ccc(-c2cc(C(=O)Nc3cc(Oc4cncc(Cl)c4)cc([N+](=O)[O-])c3)c3ccccc3n2)cc1 711792 CHCCODCILUGOPC-UHFFFAOYSA-N 526.936 6.912 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2ccc(Cl)cc2Cl)=Nc2ccccc21 1865400 IFJYYMYOCJUQTO-NDEPHWFRSA-N 594.462 8.191 5 40 KKBB Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3cc(Oc4ccc(Cl)cc4C4CCCCC4)cc([N+](=O)[O-])c3)nn12 2056193 QXWQQYGBKGKXSR-UHFFFAOYSA-N 582.060 8.359 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OCC)cc2)cc1 25501700 NCYAPHHETCAVGP-GCOOMIHPSA-N 525.605 6.829 5 40 KKBB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 97981579 UVNKWTAIAGLABK-UHFFFAOYSA-N 543.045 5.223 5 40 KKBB O=[N+]([O-])c1ccc2c(c1)N=C1O[C@H](c3ccc([C@H]4OC5=Nc6cc([N+](=O)[O-])ccc6NC5=C4O)cc3)C(O)=C1N2 100134555 IBFSQXGZNDUXCP-DNQXCXABSA-N 540.448 5.496 5 40 KKBB in-vitro Cc1ccc2nc(-c3ccc(N4C(=O)c5ccccc5C4=O)cc3)cc(C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2c1 100396332 MFTXSSORWGHAPC-UHFFFAOYSA-N 585.572 6.267 5 40 KKBB c1ccc2c(c1)C1c3ccccc3C2c2cc3cc4cc5c(cc4cc3cc21)C1c2ccccc2C5c2ccccc21 100815908 BGNVBPJCVHBKAU-UHFFFAOYSA-N 530.670 9.967 5 40 KKBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1C(F)(F)F 103074611 ATKJDSBKLIHYRU-IBGZPJMESA-N 523.261 5.913 5 40 KKBB C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)CO[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 103556739 MUIYIOFPLUSVHU-AJOXXKJQSA-N 604.656 6.596 5 40 KKBB C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)CO[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 103556743 MUIYIOFPLUSVHU-WKVMDTJGSA-N 604.656 6.596 5 40 KKBB COc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 105306029 XFMBCIZZANCGMO-UHFFFAOYSA-N 573.631 5.719 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 111465649 ACZCHNATUGCGGZ-CLNXTWJPSA-N 607.644 5.112 5 40 KKBB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc(S[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1 113563949 RQJOMYREQLAQJK-NUYBPMMJSA-N 622.659 5.437 5 40 KKBB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 150629719 FMHMOJJTGSOJRZ-UHFFFAOYSA-N 629.557 8.947 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1cccc2ccccc12 215002292 AYIZMWNSZDVGOU-CVKSISIWSA-N 605.466 7.335 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224438501 HUXXTLKELIWQQA-XIFFEERXSA-N 690.794 5.801 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 224784054 BGJACDMPWHVNQJ-WDYNHAJCSA-N 594.678 7.017 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 225658545 YBNOVAXRTFDULT-KAYWLYCHSA-N 527.606 5.560 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261041448 KMYOPAWMOJXCRX-GOXGLGGOSA-N 663.196 5.998 5 40 KKBB COc1ccc(CCNC(=O)c2ccccc2NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC 408577347 ZPCAFRYLDBSSDF-NHFJDJAPSA-N 551.599 5.764 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(F)cc1 408610758 SBJJILGYYONSKT-UHFFFAOYSA-N 522.314 5.928 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C(=O)O)n[nH]1 408633154 WNLRXJAOYFOBDC-JAIQZWGSSA-N 528.930 5.528 5 40 KKBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)c1 408638760 DIDRZPGDJSRONO-HZCFWTAGSA-N 682.127 5.290 5 40 KKBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)CC2=O)cc1[N+](=O)[O-] 408658113 UWEKBESETJXEAM-KRWDZBQOSA-N 571.369 5.208 5 40 KKBB O=C(CCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccc(Cl)cc1[N+](=O)[O-] 408668353 WIRAHMFZZKCDKI-SIQOOTDXSA-N 585.827 5.275 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408686282 RHUBBUDPDBRKQM-QYVZARNFSA-N 608.448 5.807 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408769060 LKJSCQASEHPNPN-BHFPBWTASA-N 773.456 5.828 5 40 KKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1 408987581 QMFOYPBEYKLNFL-UHFFFAOYSA-N 515.547 6.590 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 408995234 BAXVEXIPMXMMHP-BIWBSIMWSA-N 634.508 5.048 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(Br)cc1 408995834 FDELSSNZMKRZFA-ZGOFBEGVSA-N 634.508 5.048 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409030695 FGGAZFGUXWHZQY-IMUCPKNRSA-N 643.718 5.081 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409046017 QVTJFZCVBKEVEO-IVRZUQNJSA-N 939.519 5.445 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1Cl 409061662 ZGPXYXNJPAAJGF-MTJSOVHGSA-N 545.798 6.831 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 409087722 ZLBLRMIGTAVLNZ-HRIDGTDGSA-N 627.078 5.704 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)C2=O)cc1 409090005 PRJKDPQZCZUWIT-DHRITJCHSA-N 642.484 6.019 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)nnc1-c1cccc([N+](=O)[O-])c1 409128841 LAVKKSPSINEPKL-UHFFFAOYSA-N 545.444 5.490 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)c1 409150184 AEJICPHDLJTFCK-LSHDLFTRSA-N 668.469 7.565 5 40 KKBB Cc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)n2)cc1 409177344 FAAAHLGFCWNMBD-UHFFFAOYSA-N 565.607 7.428 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 409178268 LSOUEKZJMAWINF-UHFFFAOYSA-N 572.551 6.222 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c2=O)=N1 409192105 ADCRCJQUQPONHW-CXABMRDKSA-N 745.283 6.578 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cc(Cl)ccc4C)C3=O)o2)c([N+](=O)[O-])c1 409204408 GVIUTJOEIBBQLW-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409270759 AHCQBHNIOGEDQY-ZMOGYAJESA-N 538.965 5.755 5 40 KKBB O=C(Oc1ccccc1-c1ccccc1OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Br)c([N+](=O)[O-])c1 4017319 QRIOVJDWNAVWER-UHFFFAOYSA-N 642.212 7.133 5 40 KKBB CC(=O)c1ccc(Nc2nc(/C=C/c3cccc([N+](=O)[O-])c3)cc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 16321958 XUHXRRMOBRHDRK-QHKWOANTSA-N 507.506 6.580 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(Br)c3ccccc3C2(Br)c2ccccc21 68583020 VGJLTZJDWUGPKF-TUUBTQOTSA-N 554.194 5.005 5 40 KKBB c1ccc(-c2cc(-c3ccc4ccccc4c3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc5ccccc5c4)nc23)cc1 100013538 XESMNQMWRSEIET-UHFFFAOYSA-N 584.722 11.757 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 100358809 SCPPWOKERWOOMB-WSDLNYQXSA-N 573.396 6.321 5 40 KKBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(Br)cc12 104778103 WZUKTZYRYHKCHQ-UHFFFAOYSA-N 526.774 6.795 5 40 KKBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305762 WGAISEKTPGAYEC-UHFFFAOYSA-N 536.013 6.174 5 40 KKBB CC(C)CCC[C@@H](C)CCCCCCC[C@@H](C)CC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)CC(=O)C[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 150343592 MCQUNSGKFVLGIP-NKQBFHEZSA-O 831.278 13.629 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccccc1Cl 150385998 JGJINNUUOVZJFC-WSDLNYQXSA-N 636.851 6.677 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2-c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 150391168 RDWQMPKASVSWJB-UHFFFAOYSA-N 638.703 5.092 5 40 KKBB COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224766572 ZFKAXKTZIKPUMH-XZWHSSHBSA-N 579.707 7.117 5 40 KKBB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224790117 RNYSBKYCYQMKKJ-DQEYMECFSA-N 501.637 6.140 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC 225197795 XZVPMRHHSDAPBZ-SXOMAYOGSA-N 543.605 5.784 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 225558004 AJDVFJUHNSVZRV-IZLXSDGUSA-N 541.633 5.814 5 40 KKBB Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 225653663 ZHIGTMSJGNRRPK-KAYWLYCHSA-N 526.622 5.090 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 408564854 AOKMUWBFBVIRNC-QHCPKHFHSA-N 570.425 5.936 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc([N+](=O)[O-])cc1 408639564 FYMXBUDRXOFIAL-UHFFFAOYSA-N 612.165 5.653 5 40 KKBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408648374 WHCVBEIXYJGSRV-SNVBAGLBSA-N 793.444 7.223 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408682876 KDXLEGNDYAMFGP-ZYNNUQKQSA-N 692.981 6.906 5 40 KKBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(c4ccc(Cl)cc4)C(=O)[C@@]3(c3ccc(Cl)cc3)C(c3ccccc3)=C2c2ccccc2)cc1[N+](=O)[O-] 408722917 OHDCXGDOLXDBAI-ZSAJNUMDSA-N 685.563 8.399 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408864867 ASXTVBOZIVDANU-QRVIBDJDSA-N 677.448 5.991 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 408916796 ZDOBTIJWCVSQAI-SFKHYTNKSA-N 828.504 6.851 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(I)cc1 408917047 LMTGWLHXDNJHFV-WSDLNYQXSA-N 681.302 6.786 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c2=O)=N1 409034543 HUYMNLYNXHIBCN-ITNPZBTBSA-N 692.588 5.837 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)c2=O)=N1 409038976 GBUPPRUBNUGRNH-RISWYLRJSA-N 624.502 5.592 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4F)c(I)c3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 409079419 FTPZZULEQJLTSL-JAYSWQADSA-N 825.394 5.634 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4cccc(Br)c4)C3=O)cc2)cc1[N+](=O)[O-] 409152634 FQRPYHSJQINGJU-UUYOSTAYSA-N 589.445 5.670 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 409194168 NPUWWGYKAPSGDZ-NSFNGMEESA-N 553.752 5.974 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(F)c(Cl)c1 409222084 AQWVXNBLOSFLNC-DJKKODMXSA-N 580.775 6.085 5 40 KKBB COc1ccc(CCOc2ccc(-c3c4cnn(C)c4nc4c3oc3cc(O)cc(O)c34)cc2OC)cc1 524731068 JGERYBVOJJABIG-UHFFFAOYSA-N 511.534 5.585 5 40 KKBB biogenic O=C(COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCCc2ccccc21 2637802 ZTIABFYOFXBAJF-FQEVSTJZSA-N 530.524 6.115 5 40 KKBB O=C(OC(c1ccc(NS(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 3170754 QUZXNFCWEWFBQF-UHFFFAOYSA-N 548.417 5.573 5 40 KKBB O=C(CSc1nnc(CNc2cccc(Cl)c2)n1CCc1ccccc1)Nc1ccccc1[N+](=O)[O-] 12496403 MRPSYXHAFJYMFJ-UHFFFAOYSA-N 523.018 5.425 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 33358596 AOULBZNGHCVXIG-FYYLOGMGSA-N 671.257 8.566 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=N2)C(N2CCN(c3ccc(F)cc3)CC2)=Nc2ccccc21 96022072 URYRAAZOMGDRHD-JGCGQSQUSA-N 647.114 7.387 5 40 KKBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(-c5ccc(Cl)cc5)c5ccccc5c4=O)c3)CC2)cc1 97959884 NERYSCIPMLJTAW-UHFFFAOYSA-N 596.043 5.585 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2OCc2ccccc2F)C(=O)N1Cc1ccccc1[N+](=O)[O-] 100339880 ZDCRNYRHXLDKKR-WSDLNYQXSA-N 543.370 6.312 5 40 KKBB CCC(C)(C)c1ccc(OCCCCNc2cc(Oc3ccc([N+](=O)[O-])cc3)c3ccccc3c2O)c(C(C)(C)CC)c1 102402879 WFGGXQAWONGAAT-UHFFFAOYSA-N 584.757 9.892 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@]12C(c1ccccc1[N+](=O)[O-])[C@@]21C(=O)N(c2ccc(C)c(C)c2)N=C1C 102572864 VSDLASVYIBIOBW-PGSZONDNSA-N 535.604 5.744 5 40 KKBB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(C)nn(-c2ccc(Cl)cc2)c1O 102975086 AVDKNEUFRVUSTM-ILBGXUMGSA-N 550.402 6.272 5 40 KKBB COc1ccc(N(CC(=O)NCCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 103091176 VYVQJXZFKHKDOW-UHFFFAOYSA-N 572.854 5.118 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2cccs2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 103534404 HZJJTVSUAGHUPD-QSNJERLUSA-N 547.592 5.638 5 40 KKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 105303735 OUBQWDKNDCUCHP-RMKNXTFCSA-N 614.555 6.388 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCCOc1ccccc1 106739632 ILQSMGHDSROAPG-UQQQWYQISA-N 520.563 5.688 5 40 KKBB CCOc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 150509171 IBNIDBBHSAUJDB-PGUFJCEWSA-N 648.741 7.469 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 164542256 ZVSCMHZPSDVBHJ-FUZBLHKMSA-N 691.762 5.830 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223341866 HMFVBTAYRXFZSZ-HKBQPEDESA-N 713.640 6.190 5 40 KKBB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224780166 LZFXIOMGQZFGMV-CLJLJLNGSA-N 515.664 6.701 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224801692 FKPVKSHHBZCVFL-QHCPKHFHSA-N 657.189 5.627 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225407355 RZMDKOBEFRUEEV-SANMLTNESA-N 661.177 5.103 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225622617 QQONZFBDDROAAI-UUWRZZSWSA-N 741.694 6.970 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Br)cc3)N3c4cc(Cl)ccc4C=C[C@H]3[C@@H]2C1=O 248081684 DENCGNQTUBKZOH-LFBFJMOVSA-N 592.833 5.592 5 40 KKBB COc1cc(N2C(=O)c3cccc4c(N5CCCC5)c([N+](=O)[O-])cc(c34)C2=O)ccc1-n1nc(C)c(Br)c1C 408536367 WHOHYWVPXAWUQR-UHFFFAOYSA-N 590.434 5.722 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1ccc(Cl)cc1 408573671 UAWADTHXVBJLIK-MHZLTWQESA-N 609.933 7.834 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 408574041 ULTGNGULWSBABD-HHHXNRCGSA-N 553.084 6.934 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408577806 ZZFPNJCIQVIXBX-XMMPIXPASA-N 614.478 6.253 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408644433 REOBTEOVEZJAKG-WVZRZZCNSA-N 686.546 5.935 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 408720231 JSALIIMZTHFSPB-KNWZFJHESA-N 541.003 6.354 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OS(=O)(=O)c6ccc([N+](=O)[O-])cc6)cc5)c(=O)n42)c2ccccc2CC3)cc1 408757873 RCDKTMVZJMGALK-GONGWJOBSA-N 651.722 5.003 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 408822431 BRIBQFSNGRTKJO-ZSJKCPIUSA-N 713.950 5.610 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408832023 PQNCBOCUANIXCP-FQKMCRJQSA-N 727.431 6.119 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408946573 YYKVVVZQMFNKIV-ITNPZBTBSA-N 678.163 5.735 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408998854 QRKCBZZOJPALGU-VKSQQWFDSA-N 787.601 6.324 5 40 KKBB COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409096978 MTNWQRAOGWTLDI-LSCVHKIXSA-N 596.299 6.299 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 409113769 ISADBPQQRROYOO-UHFFFAOYSA-N 513.881 5.101 5 40 KKBB COc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3C2=O)cc1 409181424 CFZHLUOFBLMALD-UHFFFAOYSA-N 524.485 5.553 5 40 KKBB O=C1S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1ccc(Cl)cc1 409190968 CYKCLAPAHUJJGN-RGVLZGJSSA-N 718.694 7.277 5 40 KKBB COc1cccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1 409192865 GMSUIDSQIPFDDU-HFAHNTRXSA-N 549.333 5.329 5 40 KKBB O=C(OC(c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1 3179357 XVIXKGOHQYSTNT-UHFFFAOYSA-N 546.807 6.677 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 3321726 JPHWLLCHCCVHDG-CQSZACIVSA-N 502.449 5.314 5 40 KKBB O=c1/c(=C/c2cc(Cl)c(O)c(Cl)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 3770316 YSFQQUPQDIDKDB-IZBTWGKQSA-N 550.423 5.239 5 40 KKBB O=C1/C(=C\c2ccccc2)S[C@@]2(SC(c3cccs3)=NN2c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 4293498 PSPQSKYDILSWKF-WTDOPDLHSA-N 542.667 7.004 5 40 KKBB COc1ccc2c(c1)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@@H]4c5cc(OC)ccc5CC[N+]4(C)C)cc3)c1)[N+](C)(C)CC2 5369724 XPTZLWPVLRHFHQ-AARKOHAPSA-N 608.823 7.337 5 40 KKBB CCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(I)ccc4Cl)nc3c2)cc1[N+](=O)[O-] 6601913 OQWISHFATXTPFG-UHFFFAOYSA-N 563.735 6.312 5 40 KKBB O=C(Oc1ccccc1)Oc1ccc(N(C(=O)Oc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 11852735 ZOOQUIWGOYIPLU-UHFFFAOYSA-N 534.502 5.567 5 40 KKBB Cc1cc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccc(OC(F)F)cc2)no1 44088225 NZWOLGKBBMEFJL-UHFFFAOYSA-N 501.471 5.076 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 97971201 UVMLGXOHJPBVFH-IXXPZIILSA-N 558.585 6.146 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 100317578 LPQFIQLSMOGDID-KRWDZBQOSA-N 540.601 7.303 5 40 KKBB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 100374692 QEJGULGJUOCLKF-UXBLZVDNSA-N 537.447 5.826 5 40 KKBB Cc1csc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2cccc(C(F)(F)F)c2)n1 101139963 NSDRIWLFZVOSSK-UHFFFAOYSA-N 519.530 5.962 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2ccc(F)c(Cl)c2)=Nc2ccccc21 102444071 JPTHRKBBYWYOFR-NDEPHWFRSA-N 578.007 7.677 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC12CC3CC(C1)CC(CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)(C3)C2 102559524 RNDAVUVINJQCRE-YDWXAUTNSA-N 544.608 5.049 5 40 KKBB CC[C@@H]1c2ccccc2-c2cc(Nc3ncnc(Nc4ccc5c(c4)-c4ccccc4[C@H]5CC)c3[N+](=O)[O-])ccc21 102586159 RDCIJEUVXNEORQ-DHIUTWEWSA-N 539.639 8.917 5 40 KKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)o1 104659079 VLQXYYANLPCLOM-JLHDDXNDSA-N 561.619 5.496 5 40 KKBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Br)ccc3o2)cc1 109569343 SMWZGGHDVGZCRZ-UHFFFAOYSA-N 541.383 5.691 5 40 KKBB Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2cccc(C)c2C)cc1 150411009 SRDYOZQLXOLMBZ-LJAQVGFWSA-N 665.801 6.562 5 40 KKBB CC1(C)[C@]2(Cl)C(Cl)=C(Cl)[C@@]13[C@@](Cl)(c1cc([N+](=O)[O-])ccc1[C@@]1(Cl)C(Cl)(Cl)[C@]4(Cl)C(Cl)=C(Cl)[C@]13C4(C)C)C2(Cl)Cl 150480159 HEOLJZCXUWKCNQ-GPHILITQSA-N 774.825 11.238 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223595966 UUIXIMWAIQHFEQ-XMMPIXPASA-N 514.409 5.220 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223713699 HNGLURHBWJBVPF-JIPXPUAJSA-N 537.657 5.522 5 40 KKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C 224107149 IGAQKPOPKSRYJI-SXOMAYOGSA-N 541.633 6.330 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 224884434 UZVJGQDTODCLAQ-ZEQRLZLVSA-N 522.970 5.795 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225058953 LSQTYKMRRMAPIY-NDEPHWFRSA-N 600.568 6.834 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225394890 IWNPTBDJUHDOIH-SANMLTNESA-N 554.043 5.192 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247331493 OZHQHXSCWYIWIL-UPOHCCNUSA-N 541.563 5.577 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408568850 UXWZJNMTWLXNEO-RBYFDUNASA-N 554.430 5.636 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1ccc(F)cc1 408570945 MKZODZMOLBGCHA-HSZRJFAPSA-N 588.415 6.075 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1cccc(Cl)c1 408571815 POXWZAJWPHAYLC-RUZDIDTESA-N 633.952 7.088 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1 408572670 RRYJBXQLRMPNJK-QHCPKHFHSA-N 547.439 7.019 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408574554 VELJTECDXCCEFQ-SANMLTNESA-N 587.529 7.587 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc12 408576500 XNDYLXIOYOOZJB-SSEXGKCCSA-N 554.672 7.043 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)c(Br)cc1OC 408577461 ZNTIGSBNTAEKBS-LJQANCHMSA-N 527.828 5.509 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408644064 QPJOAGQRXADBEW-ZKSIBHASSA-N 813.088 8.381 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408679896 FOIWNIONRFEUFD-TUSFPTNYSA-N 669.088 5.507 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 408729314 DODDOKXLUNUYOP-PNQAETMRSA-N 730.593 6.317 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408824737 HKJDAQCQNFCSHZ-UAMLYEQYSA-N 739.588 5.677 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408824772 AHCXKWBESITBIT-QZVQSRICSA-N 633.726 6.536 5 40 KKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)o1 408937576 GWXXPMBHRHXQEK-ORVZPOCUSA-N 668.522 5.135 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(Br)cc1 408997225 MCMNUOMGIJSIFJ-UPWSPCOFSA-N 664.534 5.057 5 40 KKBB CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)N(CC(=O)OC)C2=S)cc1 409055130 KAHPMIXFAGTLMP-OYKKKHCWSA-N 596.061 5.546 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)C2=O)ccc1Cl 409153620 MJGJHSGORXRFAB-BRJLIKDPSA-N 671.040 6.199 5 40 KKBB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 409176309 KBQMMDIOWGMMQR-NDEPHWFRSA-N 534.524 5.793 5 40 KKBB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1 409192110 AHEFNGSDMCUYHK-UWVJOHFNSA-N 641.055 6.990 5 40 KKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1c1cccc(Cl)c1 409202792 SEYDPTMXCXTETG-ZDLGFXPLSA-N 505.733 6.512 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1cccc(F)c1 409227883 SKPOZZGECBRFCR-GRSHGNNSSA-N 501.879 5.322 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409242625 XGEYIKYTVBSYLU-WOJGMQOQSA-N 554.362 5.233 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc(F)cc1F 409272362 YGXKNBQNVQHGQG-ZVBGSRNCSA-N 556.459 5.249 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 409317565 VLTJMCPSRRGURS-UHFFFAOYSA-N 542.828 5.693 5 40 KKBB O=C1/C(=C\c2ccco2)N=C(SCc2cc([N+](=O)[O-])cc3c2OCOC3)N1c1ccc(OC(F)F)cc1 3364983 BPIVWSRCTGMPMN-KEBDBYFISA-N 529.477 5.333 5 40 KKBB CC1(C)C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@](C)(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 8444510 HSHUTCIVSWXNTR-GYCJOSAFSA-N 537.400 5.555 5 40 KKBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCc3cc(F)cc4c3O[C@H](c3ccccc3)OC4)cc2[N+](=O)[O-])C1 12546873 FYYVHDDLHRDNTP-XFLNKKNVSA-N 520.557 6.181 5 40 KKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3cnn4c3N[C@H](c3ccccc3)C[C@H]4C(F)F)nc12 22825588 LWXWOEDQRNVEOK-IRXDYDNUSA-N 502.554 5.731 5 40 KKBB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cccc2c1Cl 59294245 NTWNOXKLGGWSIZ-UHFFFAOYSA-N 515.035 6.234 5 40 KKBB O=C(C[C@@H](c1ccccc1)[C@H](C(=O)c1ccccc1)[C@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1 100053297 QFFRUDKBZNZJIJ-PFESQZPFSA-N 554.646 8.304 5 40 KKBB COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3Cl)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 102628979 FEVHWVHFUIINHB-UHFFFAOYSA-N 563.371 5.779 5 40 KKBB CC1=C(C(=O)Nc2cccc3ccccc23)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2cccc3ccccc23)=C(C)N1 104240823 LACWJBAEWRKWOU-UHFFFAOYSA-N 568.633 7.413 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 150394928 GGUDPWYRUAAETF-POKSHJSXSA-N 637.670 5.121 5 40 KKBB Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)cc1 150414628 TXCZOJWUCUKQPY-UHFFFAOYSA-N 628.888 6.603 5 40 KKBB COc1cc([C@@H]2c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3N=C3C(O)=Nc4ccccc4N32)ccc1OS(=O)(=O)c1cc(C)ccc1C 150467803 QQNJPDOGIDYWEW-WJOKGBTCSA-N 664.700 6.723 5 40 KKBB COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 198310543 KNUOXUHXSIQAMO-UHFFFAOYSA-N 645.115 5.200 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225217220 SDBNOTMAOVTWCW-OAQYLSRUSA-N 710.047 5.857 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225407315 RZMDKOBEFRUEEV-AREMUKBSSA-N 661.177 5.103 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261020742 IFAJFIGFOVYSSZ-HPMVVLTCSA-N 741.694 6.969 5 40 KKBB O=C(O)c1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c3ccccc32)o1 408542376 IQVSYCMBWBJLLD-JJFYIABZSA-N 503.492 5.126 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc2ccccc2c1 408564786 AFHMDQDVKIIFHO-LJAQVGFWSA-N 575.090 7.470 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408568961 VKMXIAPQIYKJEE-BQGAEBSMSA-N 643.332 5.854 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408577790 ZWQWDHRIRFIHQV-VWLOTQADSA-N 584.054 6.452 5 40 KKBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408646848 IYSPJCPNVHLSAI-YNMMXACUSA-N 571.589 5.116 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccco2)cc1 408649636 YRGUCJQAUWZLCS-UHFFFAOYSA-N 608.346 5.250 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408650732 MWZJDRFKNLMSRX-ZRZAMGCNSA-N 624.433 5.536 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408683649 LWNIYWWVAPVIIN-TUSFPTNYSA-N 692.981 6.906 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733794 RGPQEOWQHOGDAX-FZEVDNDPSA-N 813.908 7.724 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408776580 WIAMTWYGHQFTII-IQPMGOHCSA-N 768.686 7.317 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408868125 NOXSSFMQPSZXNE-MSXFZWOLSA-N 648.329 7.334 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2=O)=N1 409045400 IPWGGMRXNDGCSE-CRCYZHLCSA-N 642.517 6.062 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 409151641 HOGYUNSYUUUJEF-UCQKPKSFSA-N 503.536 5.157 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(Cl)cc1 409166358 DKENLHOBSVMLJK-UFFVCSGVSA-N 656.820 7.497 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1ccccc1C(F)(F)F)C2=O 409183515 UTFPOUFTLDGSMP-UHFFFAOYSA-N 562.456 6.564 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409263071 KCRSFTHMUWZSEQ-DICXZTSXSA-N 612.620 5.449 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409276688 VCNKRNVTPOVYEA-DHRITJCHSA-N 582.034 6.209 5 40 KKBB COc1ccc(CCn2c(Sc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)nc3ccccc3c2=O)cc1OC 2652422 MSJRJGUGNFTAHE-UHFFFAOYSA-N 531.512 5.735 5 40 KKBB COc1cc2c(Cc3c4c5c(cc(OC)c(OC)c5c5c(OC)c(OC)ccc35)CCN4C)c3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C 5224333 RUOFHNQGXSNLHB-UHFFFAOYSA-N 718.847 7.944 5 40 KKBB O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8833002 ANXIRRJFAFJDEQ-UHFFFAOYSA-N 502.021 5.489 5 40 KKBB CCCCOc1ccc(C(=O)[C@@H](CC[C@@H](C[N+]2(C)CCCCCC2)C(=O)c2ccc(OCCCC)cc2)C[N+]2(C)CCCCCC2)cc1 95856912 HZQBNIXCSYZYBH-UWXQCODUSA-N 663.000 9.164 5 40 KKBB CCOC(=O)c1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCC2 97984623 SYGTXOSKFMTZGJ-UHFFFAOYSA-N 588.067 5.853 5 40 KKBB CCCn1c(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nc2sc3c(c2c1=O)CCC3 103069767 DCDKOAHSUZSWSF-ZDUSSCGKSA-N 541.680 5.508 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105321872 KJKMRTOVZWTLBJ-UHFFFAOYSA-N 530.968 5.723 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccccc1 111465495 IVGZJZPDVXIOPQ-GRPHBVMCSA-N 617.683 5.423 5 40 KKBB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112241267 IDAPKXULRSGLSX-UHFFFAOYSA-N 586.457 5.982 5 40 KKBB COc1cc([C@H]2c3c(C)nn(-c4ccc(S(=O)(=O)c5ccc(C(C)C)cc5)cc4)c3N=C3C(O)=Nc4ccccc4N32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 150482778 XTPGAWNMURVFAB-KDXMTYKHSA-N 832.917 8.371 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 208358480 UQSDPUYVWGVEEC-CCLVUABDSA-N 609.660 5.437 5 40 KKBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222992385 UZJJLSPNGVIAFO-IBGZPJMESA-N 621.543 5.429 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223896840 NJNFDZHJICAMSF-SIBVEZHUSA-N 588.488 5.844 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225330379 VAGGJNRKTJMQLI-GDLZYMKVSA-N 580.150 6.570 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccc(Cl)cc1Cl)[C@]21C(=O)Nc2ccccc21 248337837 QKIIMVJPMJSBIP-CTMYTVLESA-N 624.480 7.148 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260844539 BYOMONZPZGKDBW-MGBGTMOVSA-N 727.667 6.579 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)c(OC)c2)cc1 408565628 COZASGBWKJTCAQ-RUZDIDTESA-N 506.584 5.282 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408567244 QNFPHUBHZDBAOU-CIHKJSBTSA-N 528.392 5.103 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408569701 XBHZZJDLEQBYCL-SQOVJYTMSA-N 572.843 5.212 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1C 408577066 YNJZLJNZYGZTGF-RUZDIDTESA-N 554.028 6.443 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(OC(=O)c2cccs2)cc1 408649159 KQKRSFATTQRFRR-QFIPXVFZSA-N 570.579 5.322 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccccc1 408678803 DDJSYJZASNBQDY-WVZRZZCNSA-N 652.101 5.282 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)C1(Br)c3ccccc3C2(Br)c2ccccc21 408756583 WJMTXKVVGXIYFG-LGAXSRDJSA-N 630.292 6.672 5 40 KKBB O=C(O)c1cccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1 408758358 YUSNEJVBVPSKMM-UHFFFAOYSA-N 532.306 5.753 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408807598 CUUCOLAAJYAUBW-QRVIBDJDSA-N 555.406 6.576 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408812795 NLTXRGCBFNYKLE-SUAMDDGLSA-N 608.047 5.078 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408845044 QDNIAZZELPLSRI-SODCYNRPSA-N 677.651 5.844 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408938251 LCKONQCWMLMKEL-QUNTYYFUSA-N 865.484 6.282 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1 409094832 GJQFKFDWNHMVJQ-RYOBIWAXSA-N 629.764 5.551 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N(CC)CC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409098952 RNYLFWYHVOEJDY-ZRYJBNJPSA-N 627.767 5.020 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1C 409158299 SLJKGGCMWQMKRI-FSJBWODESA-N 571.533 6.698 5 40 KKBB COc1ccc(C(=O)[C@@H](OC(=O)c2cc(Cl)c(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2OC)c2ccccc2)cc1 409180464 TYDDRZAMRJFTBH-NDEPHWFRSA-N 600.967 5.847 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1ccc(I)cc1 409253690 GLGMMWKAWXKBKF-NHDPSOOVSA-N 646.375 5.575 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409269227 HILPZABVYISIJL-WYMPLXKRSA-N 569.542 5.526 5 40 KKBB COc1ccccc1C(=O)OC(c1ccc(NSc2ccccc2[N+](=O)[O-])cc1)(C(F)(F)F)C(F)(F)F 3170200 AEJHANVSQLDMMS-UHFFFAOYSA-N 546.445 6.900 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)c1ccccc1C(c1ccc(Cl)cc1)=NN2c1ccccc1 102417526 XGKNNTDLIPBGJC-GDLZYMKVSA-N 554.031 6.787 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](C(=O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 102887211 PQIBSHXKQSCGPU-UUQNIDNHSA-N 559.553 5.590 5 40 KKBB O=C1/C(=C/Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 103004005 CMCCTJDNWPTXBR-JJIBRWJFSA-N 544.489 6.997 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1 214989532 OABAPTBCTYRPGX-ZVHZXABRSA-N 524.982 6.462 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccc(Br)c3)cc2)cc1 224782285 JLMNWHZBZSSKAH-URLMMPGGSA-N 628.577 7.871 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408566310 NLKAPGKJLVSADI-OCAOGGMISA-N 647.353 6.788 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 408568214 HXDVLTWNFSVGHY-XMMPIXPASA-N 603.926 7.079 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Br)cc1 408572644 RPZSKLQOKPRMAH-RUZDIDTESA-N 678.403 7.197 5 40 KKBB O=C1S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1c1ccccc1 408813086 DXXKSCDHRUPNSU-NDENLUEZSA-N 501.347 6.722 5 40 KKBB COc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cc(C)c(C)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(OC)cc2)cc1 409047218 NVNZYWBVOXQSDP-IPMXHECSSA-N 536.584 5.652 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409056431 RIARKUVWSFRGDP-XKZIYDEJSA-N 616.877 5.737 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccccc1OC 409098615 QVLPSPPVAXUJKT-QTTRZTASSA-N 651.539 5.043 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1 409156308 FDQVCZMWQZYYQU-QFEZKATASA-N 526.574 5.581 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)cc1 409170497 VZGRTNBMZBFJLM-SSDVNMTOSA-N 652.401 6.852 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)n1 409179559 QEWZQXRHYDEEQY-CZNDPXEESA-N 645.580 6.460 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 409184337 XOSZMXOJAMXEAT-AREMUKBSSA-N 540.915 5.830 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br 409273214 JEPGUWMYMGPSLY-IPAKXIGBSA-N 699.624 5.113 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nc5ccccc5n4-c4ccccc4)cc3s2)c([N+](=O)[O-])c1 409331341 BHOAQVYKGWIPCU-UHFFFAOYSA-N 656.771 7.014 5 40 KKBB CCOc1ccc(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)c(Cl)c2)cc1[N+](=O)[O-] 5949413 RJYLSGRSNWZBCU-UHFFFAOYSA-N 570.902 5.921 5 40 KKBB O=C(Nc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1)c1ccccc1Br 8403919 XKUGLHVWSWVXGS-UHFFFAOYSA-N 529.437 8.737 5 40 KKBB COc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)c1 8792154 RMUGZQQRNZUMRQ-INIZCTEOSA-N 523.545 5.024 5 40 KKBB biogenic CC1CCN(c2ccc(C(=O)NC(=S)Nc3ccc(-c4ccc(CO)o4)c(Cl)c3)cc2[N+](=O)[O-])CC1 59825768 OUZIJAXXCAHABV-UHFFFAOYSA-N 529.018 5.364 5 40 KKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3n2)cc1 100327062 YCTRHVJPHWMUIC-UHFFFAOYSA-N 533.570 5.015 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101303498 HZJJTVSUAGHUPD-FJUJMQFGSA-N 547.592 5.638 5 40 KKBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1OCc1ccc(Cl)cc1Cl 102560296 HHTFFABPOIYIKV-GORDUTHDSA-N 543.157 5.211 5 40 KKBB CC(C)(C)c1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc(C(C)(C)C)c1O 102745893 DIIJGUKJVOJOLH-ZWEKWIFMSA-N 543.620 5.947 5 40 KKBB C[C@H](c1ccccc1)n1c(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 102932036 FHRWEQUSBUPGBF-SHQVNNEXSA-N 603.660 6.587 5 40 KKBB CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(C)c3)nn12 105304649 BTWKDWKNTAPCKY-UHFFFAOYSA-N 533.595 5.019 5 40 KKBB CCCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3cc(Br)c(O)c(OC)c3)C2=O)cc1 105796332 DUUSPZHFETZJQF-KYPHJKQUSA-N 612.433 5.302 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 215221207 KAHAPZSUEHIQSB-ZVHZXABRSA-N 616.433 6.414 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O 222892254 BDIPBEQXBOOJRL-MHZLTWQESA-N 665.596 5.089 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)o1 223953581 KJSYQTLINWXVHX-IZLXSDGUSA-N 557.632 5.272 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225553932 LKHINNLFIDCGQF-XIFFEERXSA-N 786.145 7.079 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408569066 IOKBGIKRZNHVNU-QHCPKHFHSA-N 590.445 6.488 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1C 408571091 NLJBWNXBFCBXAN-RUZDIDTESA-N 519.583 5.790 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 408572347 QYAPZDPIXHZPOH-VWLOTQADSA-N 573.046 6.465 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408574445 UVGZCQFDJLRGLE-NNZXVUDSSA-N 607.288 5.912 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408637731 AXIBGXGSAFHEAC-IKTNGCAPSA-N 817.205 6.409 5 40 KKBB COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 408720044 JMRZVKHSYCQBJE-JUJAOGAQSA-N 584.220 5.013 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 408734331 WYWFBCAZQGXBNB-ZJTZAHLKSA-N 694.947 6.642 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)c1 408767907 HCYRKIQGNMAATC-UHAPOFRNSA-N 662.724 5.378 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409033750 LNFXOTGWZNGNBU-GWRYVSOYSA-N 767.611 5.752 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409040825 USKVIGSDUJQZTA-CFPUELQSSA-N 796.649 5.007 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 409051839 GOOZETJFXRTYTI-UUYOSTAYSA-N 618.303 7.244 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409149407 FJBWUYZAOIEVBY-NULZLWRNSA-N 669.188 5.994 5 40 KKBB CCCCOC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O 409204535 IGXRFOPKLCKPIN-YBFXNURJSA-N 524.473 5.786 5 40 KKBB CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409275139 SBUNQKINULSWSZ-CVKSISIWSA-N 559.600 5.655 5 40 KKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c1 409277133 ZNQIEARZWJVTIX-SRZZPIQSSA-N 511.943 5.800 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 409350507 RUGWDZBOSNCBFH-OEAKJJBVSA-N 504.568 5.243 5 40 KKBB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 684440 YDKLEPODZCLGLD-HSZRJFAPSA-N 523.958 5.916 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 9313379 NMHDINZUWSXCHF-ZXYZSCNASA-N 500.554 6.345 5 40 KKBB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@H]1c1cc([N+](=O)[O-])ccc1Cl 21005660 QEGPNGOYJNQYRL-DEOSSOPVSA-N 504.930 5.596 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 32124994 VXLLKULHMVXOAJ-HMAPJEAMSA-N 505.577 5.729 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 38187946 GOKJLWIMMWFKNK-DEILPEMISA-N 520.416 7.584 5 40 KKBB O=C(OC(c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)(C(F)(F)F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 97983242 OTTLOZNJHIVFBZ-UHFFFAOYSA-N 581.252 7.331 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(Cl)cc3)cc12 98045666 BYSZHNLXVXOAKL-UHFFFAOYSA-N 542.953 5.515 5 40 KKBB O=C(C[C@H](c1ccccc1)[C@H](C(=O)c1ccccc1)[C@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1 100053292 QFFRUDKBZNZJIJ-JHOVWCEZSA-N 554.646 8.304 5 40 KKBB COc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1OC 100167828 VMTLPYHAJNLHCZ-ODAWRTACSA-N 584.739 5.140 5 40 KKBB CC1=NN(c2ccc(F)cc2)C(=O)[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(C)nn(-c2ccc(F)cc2)c1O 100962865 MMXKQJJYLUXMNE-NOZRDPDXSA-N 517.492 5.244 5 40 KKBB O=C(c1ccccc1Cl)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1 102464841 QQYONQKGNGBWLB-MHZLTWQESA-N 583.431 7.402 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)CCOc1ccc(Cl)cc1Cl 103629843 PHAADQJGXWEMNS-MJPNWULPSA-N 605.478 5.272 5 40 KKBB CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@]2(S1)c1ccccc1C(c1cccc3ccccc13)=NN2c1ccccc1 103757271 KZWOKCOVJBZLAJ-UMSFTDKQSA-N 599.672 7.261 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1)c1ccc(Br)cc1 111458498 JREFUZRGWBELCK-UHFFFAOYSA-N 554.403 5.743 5 40 KKBB CCCC[Sn](CCCC)(CCCC)Oc1c([C@H](C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-] 195999651 OVWCACZVTSGACD-CZNRRTBNSA-M 529.266 7.741 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223382680 BMVBDUAFEKMXNT-JGCGQSQUSA-N 679.195 5.537 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224246347 CGVOPIPHFCZGJU-SANMLTNESA-N 540.085 5.648 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224749568 SBHFPDJWYMANAM-XIFFEERXSA-N 658.777 5.272 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccccc3F)cc2)cc1 224781598 IAUSDQDYRKQFEI-VMPREFPWSA-N 567.671 7.248 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225336995 TVSUOMGIPXRLOM-WJOKGBTCSA-N 666.797 5.372 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(=O)c3ccc(Br)cc3)[C@@H]2C1=O 248120324 RETAXBVUKMOBNA-ZYQDXHPFSA-N 558.388 5.064 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260974549 AJWPMJJISLNGSN-YADHBBJMSA-N 631.151 5.093 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 261083336 RQFLGQRSUAHFRP-HRFSGMKKSA-N 635.570 5.222 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 408564830 AMIDJPBFXMFFRW-DEOSSOPVSA-N 638.371 7.733 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1cccc(Cl)c1 408565133 BHJCUXFLFNFUQN-NRFANRHFSA-N 529.818 6.970 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408566458 OHLYPPZXWRYHCY-XABOBXATSA-N 582.426 5.230 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 408576649 XZGJZBNWAWJXKQ-VWLOTQADSA-N 525.030 6.317 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408646353 ITGLOJQMVMOFPG-QHCPKHFHSA-N 581.537 5.741 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4cccc5ccccc45)cc3)C2)c1 408653700 FLZNCALLGCVDGT-FQEVSTJZSA-N 555.543 5.084 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408676210 ALPWIOKSSRZHTB-TUSFPTNYSA-N 703.533 6.161 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@@H]23)cc1 408731352 JYKCRWPKMWXGRK-YIBJGCDOSA-N 544.947 5.087 5 40 KKBB COc1ccc(-c2sc(NC(=O)c3cccc(Br)c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408823556 GASCHVOKRSVMTL-UHFFFAOYSA-N 510.369 6.409 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1cccc(OC)c1 408994103 FSPJUWNFHDFSQW-GWXNNEATSA-N 596.708 6.251 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409035827 UGHPKFZMGAMZSS-FJNIOPPGSA-N 631.707 5.379 5 40 KKBB O=C1N/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 409198766 FFIDXMSTBDJGEX-BKUYFWCQSA-N 508.328 5.029 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(Cl)c1 409219514 NISLVIYKHXJYGB-ZVBGSRNCSA-N 595.914 6.873 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 409263013 JXSCWFBOKFKFGX-CFRMEGHHSA-N 615.433 6.393 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409271847 DCVBHQBDFQHZMO-CVKSISIWSA-N 561.616 5.864 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409377646 JQNWXKGAOPFFML-YSMPRRRNSA-N 608.072 5.847 5 40 KKBB CCCCCCC(CCCCCC)n1c(=O)c2ccc3c4ccc5c(=O)n([C@@H](Cc6c[nH]c7ccccc67)C(=O)O)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 1585337419 UHFFZPLLEXRHCZ-KDXMTYKHSA-N 759.903 9.795 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3c4ccccc4cc4ccccc34)[C@H]2C(=O)N1c1ccc(Br)cc1 2410518 IVXWRWYERCRTMU-SSBOKUKZSA-N 549.424 6.807 5 40 KKBB O=C(CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1 6444648 ZDXRNOXPNJLOBY-UHFFFAOYSA-N 532.504 5.189 5 40 KKBB CCN(CC)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2cc3c(cc2s1)OCCO3 10066933 QYLFVDFRJSLGIE-UHFFFAOYSA-N 512.613 5.179 5 40 KKBB COc1ccc(N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 20106694 REHYQXQVIGMEPK-VWLOTQADSA-N 525.627 5.011 5 40 KKBB CC1=C[C@H](O)CC(C)(C)[C@@H]1/C=C\C(C)=C\C=C/C(C)=C/C=C\C=C(C)/C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C 43768019 KBPHJBAIARWVSC-JPVWQHFFSA-N 568.886 10.403 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2c[nH]c3ccccc23)n1-c1ccc([N+](=O)[O-])cc1 100023407 BICQGBYRBRKZLV-LFYBBSHMSA-N 534.313 5.550 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(c1ccc(C(C)(C)C)cc1)=NN2c1ccccc1 102421936 SALAEKHCSHNDJE-UMSFTDKQSA-N 605.720 7.405 5 40 KKBB COc1ccc(C(=O)Nc2c(Br)cc(Br)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 105319410 OKVLPZNXFXHOTA-UHFFFAOYSA-N 563.227 6.657 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 105499202 QSJDUGYFUGRDBU-YNMQQHPQSA-N 601.706 5.007 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl 109941253 KYSKMKJEJDTGIH-UXBLZVDNSA-N 541.372 5.229 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n31)c1ccccc1CC2 163206261 QJDNCHIAQCXDBJ-KFOJKGMOSA-N 759.476 7.340 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222958398 VNTLULGQKXJSOF-YTTGMZPUSA-N 697.641 6.509 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223720623 BUPPOYLVNTVFDW-NLGDKJDOSA-N 646.741 5.484 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224366018 VVVZCMRVOZLWNR-NRFANRHFSA-N 665.596 5.603 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 224750274 QTOZHFTZHQIBPD-KYJUHHDHSA-N 563.639 6.759 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3C3CCCC3)cc2)cc1 224768667 NTHAMOHOLYZZSI-NSOVKSMOSA-N 541.702 7.235 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 225231643 SNNSDIIANATLPI-IZZNHLLZSA-N 529.578 5.012 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)o1 225601965 LGTQMFSODNUSPQ-RRPNLBNLSA-N 561.595 5.399 5 40 KKBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363412 TZSGRVAFGJHDQC-UHFFFAOYSA-N 527.783 7.714 5 40 KKBB CC1=C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5Cl)cc4)cc3)C(=O)[C@@H]21 226411525 QGAMWNKSVGNEGX-MIOBSMODSA-N 558.974 6.099 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccc(C)cc1)[C@@]21C(=O)Nc2ccccc21 248176584 ZJYJLYAGGWEYIV-OLBUMSFYSA-N 569.617 6.149 5 40 KKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1F 408554452 CUBIYTBYOIDCMK-UHFFFAOYSA-N 508.287 5.538 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408564026 CBHVFFWHQSHPTG-QLZDYINWSA-N 523.589 5.339 5 40 KKBB Cc1ccc(COc2ccc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(Cl)cc3)cc2Br)cc1 408569484 JEKAXHZNVXSRTD-DEOSSOPVSA-N 573.900 6.989 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)n1-c1ccc(F)cc1 408571929 PYRUCCSDSLUHKN-QHCPKHFHSA-N 543.964 5.966 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl 408573049 SHBUSIJMGDWCFA-AREMUKBSSA-N 589.501 6.979 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc12 408577795 ZXPIJWQWWHNXEF-HKBQPEDESA-N 568.699 7.434 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408618986 FMMWUELDNIDSAI-VVHYXOSJSA-N 705.981 8.744 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408642640 NMPCXNCAOZAGCW-FMNCTDSISA-N 604.015 5.129 5 40 KKBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408646775 UMGPTHWFOFFXLE-LLVKDONJSA-N 581.195 6.133 5 40 KKBB O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408669916 XLIWSULZDVCMSC-KPHNHAPKSA-N 599.426 6.049 5 40 KKBB COc1ccc([C@@H]2C=C3c4c(ccc5ccccc45)OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 408730797 HVWKTSBXFLPKIR-GEYQZXRLSA-N 576.561 5.287 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408732732 YAXXPUDGXRFBPG-QFMXGDCESA-N 690.664 6.241 5 40 KKBB Cc1cc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(O)cc2)C3=O)ccc1Br 408755945 GKMYTUXYLNHRNH-UHFFFAOYSA-N 503.308 5.992 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408824267 GMUQXCISHVHVHY-IYVASWNSSA-N 756.531 5.329 5 40 KKBB O=C1S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917377 SHSHVNNYODGZRZ-CVKSISIWSA-N 541.541 6.472 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409015781 FTISOWCORGDNOB-YBFXNURJSA-N 521.389 5.780 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409081762 KZAMGKQKJVCWNO-SUAMDDGLSA-N 701.020 6.282 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(N2CCOCC2)cc1 409142888 DISHJGCGIHJYCI-MFKUBSTISA-N 628.585 5.918 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 409167827 JYPLTIMTKRUGOR-RGVLZGJSSA-N 574.434 6.014 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)c1ccccc1 409227106 XLCGOGSCZMOQIF-SSDVNMTOSA-N 607.360 7.088 5 40 KKBB O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1CCC1CCCCC1 585265268 DMBRXYPLQLKNQP-UHFFFAOYSA-N 591.734 5.476 5 40 KKBB CCCC[C@H](CC)Cn1c(=O)c2c3cc(Br)sc3c3c(=O)n(C[C@@H](CC)CCCC)c(=O)c4c5cc(Br)sc5c(c1=O)c2c43 1776010963 LMXXILQLCGIQNL-ROUUACIJSA-N 760.614 9.453 5 40 KKBB Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc1[N+](=O)[O-] 2762300 ZQVVPRXDLIGVIM-UHFFFAOYSA-N 530.621 6.790 5 40 KKBB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)c(Cl)cc2Cl)cc1Cl 3229467 XORIOUNMZMYZFJ-UHFFFAOYSA-N 578.789 5.764 5 40 KKBB COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Sc3ccccc3)c([N+](=O)[O-])c1)oc1ccccc12 3341285 OJXARKRMBIAJGF-QGZVFWFLSA-N 542.569 6.838 5 40 KKBB O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cc1[N+](=O)[O-] 5011932 YUOOWNPVFAMPNZ-UHFFFAOYSA-N 521.493 6.186 5 40 KKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5c6ccccc6cc6ccccc56)CC[C@]4(C)[C@H]3CC[C@@]21C 6130141 FMGWOPYZVAWWNP-SKWQCYOWSA-N 590.892 11.560 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(C=CC(c3ccc(Cl)cc3)=NN2c2ccccc2)S1 8817723 WQCRKOVDEMFECT-VWLOTQADSA-N 503.971 5.838 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3c4ccccc4cc4ccccc34)[C@H]2C(=O)N1c1ccc(Cl)cc1 13758547 XOGFVUWLFDJLNB-SSBOKUKZSA-N 504.973 6.698 5 40 KKBB COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)cc2)cc1 97971205 PNLLOSCXBMKJBK-WHMLYYSLSA-N 582.657 5.885 5 40 KKBB COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1[N+](=O)[O-] 100311178 RKTGQMAMCYXQHH-UHFFFAOYSA-N 543.355 5.007 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1 100649080 AJHYNYZFVDQWFL-GBIJUZDQSA-N 612.063 5.757 5 40 KKBB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 105305812 KFSBVTXWDKEDSY-UHFFFAOYSA-N 564.067 6.736 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 105981368 FBYSVMDJYJPTJM-JAIQZWGSSA-N 532.361 6.334 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1 106745595 CIHZUDVKLQCDJN-UCQKPKSFSA-N 569.433 6.572 5 40 KKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 108528125 CHULNMCOYUYFBL-UHFFFAOYSA-N 570.439 7.139 5 40 KKBB COc1c(Br)cc(Br)cc1/C=C1\N=C(c2cc([N+](=O)[O-])ccc2Cl)OC1=O 112192546 COLIHQSFVWDIPZ-RZNTYIFUSA-N 516.529 5.126 5 40 KKBB O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 150364861 YKJFXEYIATXWRX-HWMKKPCCSA-N 634.928 7.447 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1c(Cl)cccc1Cl 214819433 PZAOUPHGDNKLGK-ZVBGSRNCSA-N 648.240 8.712 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222833708 JYCGLSVXRRPBDT-HHHXNRCGSA-N 598.563 6.003 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223272947 KFOMJQMRECYROD-VWLOTQADSA-N 526.058 5.258 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223863559 RFZYOFANQPFIFY-HHHXNRCGSA-N 635.570 5.821 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224305569 PBWNHXXBJKJMRK-MHZLTWQESA-N 691.634 6.280 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224332335 BPQICULFVANWGN-AREMUKBSSA-N 523.630 5.133 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225041025 WGDFCXQWTUWZEC-PMERELPUSA-N 606.745 5.355 5 40 KKBB Cc1ccc2c(c1)N1[C@H](C(=O)c3ccccc3)[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@]3(C(=O)Nc4ccccc43)[C@@H]1C=C2 253487870 SETJNAPNEKCWEW-CTMYTVLESA-N 555.590 5.759 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260866407 JAKKZUKGOVPKGE-MGBGTMOVSA-N 707.249 6.234 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)C1(Br)c3ccccc3C2(Br)c2ccccc21 408622408 PFUXXAFWUHFRKG-LMHXZZLNSA-N 588.639 5.658 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408688687 WQDUEERTRPDHGH-UHFFFAOYSA-N 761.959 6.407 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408823884 FSRUEXPGVVKKJN-MIUGUJGPSA-N 771.484 6.598 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccccc1OC(=O)c1sc2cc(Br)ccc2c1Cl 408848320 VUIJKMSCKODAHB-RQZCQDPDSA-N 674.337 8.657 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408927663 YUJIOOBZEOLQPU-LFVJCYFKSA-N 601.990 7.247 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1CCc1ccccc1 409007368 PPKWIUXVROXDDQ-HAHDFKILSA-N 539.407 6.215 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4Br)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409047615 PBZQJVFULKXJIB-BIQRORRISA-N 555.428 6.398 5 40 KKBB O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1CCOc1ccc(F)cc1 409053528 ZDTUHNWGJZHSMI-UCQKPKSFSA-N 528.945 6.082 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc(Cl)cc3)cc2C1=O 409182297 KGIQBRTZDYUDOY-MHZLTWQESA-N 554.942 6.138 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 409188848 BBBGJGIUEKLFSB-INJWXVQMSA-N 753.646 5.967 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 409190434 NFIDKKLEBZDHKY-TVRVIFGSSA-N 813.745 7.874 5 40 KKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(Br)cc2CNc2ccc(Cl)c(Cl)c2)cc1 409204050 CCGACULLQSYJID-UHFFFAOYSA-N 561.057 7.618 5 40 KKBB O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 409411701 KEODHBOBQCHZHQ-UHFFFAOYSA-N 560.817 5.695 5 40 KKBB Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1Cl 1899608 RREKIBMUJDJOLT-LJAQVGFWSA-N 574.044 7.846 5 40 KKBB O=C(Nc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 2158186 AOYGNSWGHZBKKQ-UHFFFAOYSA-N 571.453 5.733 5 40 KKBB Cc1nc2ccc(-c3ccc4nc(C)n(-c5cccc([N+](=O)[O-])c5)c(=O)c4c3)cc2c(=O)n1-c1cccc([N+](=O)[O-])c1 3142728 UPVVQSOYYDRABG-UHFFFAOYSA-N 560.526 5.185 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(C=CC(c3ccc(Cl)cc3)=NN2c2ccccc2)S1 9008470 KOVIPTXHAGFOFG-VWLOTQADSA-N 503.971 5.838 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 34703313 WTCSQFIIUQPWLP-GWJVZLEGSA-N 507.924 6.963 5 40 KKBB O=C(N[C@@H](Oc1cc(-c2cccc([N+](=O)[O-])c2)c2oc(=O)sc2c1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 102616770 GGQSNNQHBOMINF-FQEVSTJZSA-N 584.777 5.843 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3c4ccccc4cc4ccccc34)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102739770 JWHXOMINVDSPGA-AWCRTANDSA-N 539.418 7.351 5 40 KKBB C[C@@H](OC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 103083957 CLYJPFVBNIGUAG-GFCCVEGCSA-N 516.362 6.362 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 103751638 WWUMKDMHRSUIBB-YLKQWKBVSA-N 625.659 5.137 5 40 KKBB Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)cc1 104011449 QDKZAXMPHFREBY-UHFFFAOYSA-N 544.995 6.031 5 40 KKBB O=C(Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 106697754 QPHAFDWCPYJQDK-NKVSQWTQSA-N 523.454 5.098 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(F)cc1 111469631 GPICSLXGOOLDCY-FWESEHMYSA-N 609.635 5.551 5 40 KKBB COc1c(Br)cc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 150430599 WSXPUFFQKUOVSS-YXDQGSNCSA-N 653.352 5.761 5 40 KKBB O=C(O)[C@H]1[C@]23c4c5cc6c7c4c4c8c9c%10c(cc(c97)C6)Cc6cc7cc9cc%11c(c%12c(c%13c-8c-%10c6c7c%13c9%12)[C@H]42)[C@]13[C@@H](C=%11)C5 169795984 ZADJNWVKEGRDBR-VYMULWSISA-N 540.577 7.285 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224710118 DWQCRCDMQUBHEO-HHHXNRCGSA-N 601.125 5.023 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccncc3)cc2)cc1 224764487 URXACJYSYMMQKK-NSOVKSMOSA-N 550.669 6.504 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1OC 225200613 LVYTXYIUZQALTF-NSOVKSMOSA-N 573.631 5.793 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225286703 ZOWPSLWLTZFLSP-SANMLTNESA-N 621.543 5.431 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408659828 PQDRAZUDMPZTQY-KPHNHAPKSA-N 599.426 6.049 5 40 KKBB O=c1/c(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408845840 RZAIBUVRWKKPNQ-QHCWNQLDSA-N 640.548 7.113 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CCc1ccccc1 409007063 NGOBIVTXDSALQA-HAHDFKILSA-N 539.407 6.215 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Cl)cc1 409160052 SFGXQCNKMKCDOK-XKZIYDEJSA-N 523.954 5.502 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 409187771 BVPODJOAGVHLAD-JLHDDXNDSA-N 777.281 5.815 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc(Br)c(Cl)c1 409198293 BSFPKZHKLOPQGE-TVPGTPATSA-N 565.616 5.993 5 40 KKBB CC(C)CCC[C@H](C)CCCCCCC[C@H](C)CC(=O)OC[C@@H](CO[P@](=O)(O)OCC[N+](C)(C)C)CC(=O)C[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 2060993750 MCQUNSGKFVLGIP-XDCLWSKASA-O 831.278 13.629 5 40 KKBB CCOC(=O)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 2228317 OUQAJQQSRWOPBH-QFIPXVFZSA-N 527.514 5.237 5 40 KKBB Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccccc3)cc(-c3ccc4c(c3)OCO4)c12 6474238 JTDNESXNNUSUKR-UHFFFAOYSA-N 510.531 6.102 5 40 KKBB C=C(c1ccc(/C(=C2/C=CC(/C(c3ccccc3[N+](=O)[O-])=c3/cc/c(=C(/C4=NCC=C4)c4ccccc4[N+](=O)[O-])[nH]3)=N2)c2ccccc2[N+](=O)[O-])[nH]1)c1ccccc1[N+](=O)[O-] 95100379 UIURUQZMEIRIFM-JULWXCOCSA-N 810.783 7.916 5 40 KKBB Cc1ccc(-c2nn3c4ccc(NC(=O)CNS(=O)(=O)c5ccc(C)cc5)cc4nc3c3ccccc23)cc1 97950506 KLCKGZQKGDLTCT-UHFFFAOYSA-N 535.629 5.237 5 40 KKBB CCC(C)(C)[C@H]1C/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2nc3ccccc3c(C(=O)O)c2C1 97981446 AWGJZXOMBMPILK-DNKLCNGGSA-N 531.008 8.294 5 40 KKBB CN1/C(=C2\C=NN(c3ccccc3)[P@@]2(=Nc2ccccc2[N+](=O)[O-])N2CCOCC2)C(C)(C)c2ccccc21 97983992 GZUHOVYJXSMIMA-MNJBBWKISA-N 542.580 6.735 5 40 KKBB CCCn1nc2ccccc2c1[P@@](=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)(Oc1cccc2cccnc12)C(C)(C)C 97984994 WJNMQAJBHAWIHO-RRHRGVEJSA-N 591.630 6.911 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 102280177 FZZQKFVPWOQBTK-HNNXBMFYSA-N 550.365 5.765 5 40 KKBB CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 102870546 RPAXCEFFCPZUKA-JMNGKNCGSA-N 597.671 6.794 5 40 KKBB CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 102899402 PXYSLKZLVKDHQE-NLDZOOGBSA-N 579.565 5.264 5 40 KKBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 102973818 ODVUFQBIYPEETO-SSBOKUKZSA-N 579.565 5.182 5 40 KKBB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(Oc3ccccc3)c1)CC2)Nc1cc([N+](=O)[O-])ccc1Cl 103000438 JXAJXBRFCOQPRV-OQKWZONESA-N 606.034 7.871 5 40 KKBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)O[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 103066991 LMDCRSNBMCIIKB-JOCHJYFZSA-N 575.883 5.176 5 40 KKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105314323 XNOUEHGASOJQKV-UHFFFAOYSA-N 548.584 6.177 5 40 KKBB CCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 106021084 PXYSLKZLVKDHQE-MPFGFTFXSA-N 579.565 5.264 5 40 KKBB CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 113620501 QIGTWJYUBITNEQ-UHFFFAOYSA-N 528.801 5.774 5 40 KKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150349549 MHPJVBXNJRHGKU-POTUSSLISA-N 718.717 9.699 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150395617 ATKDEBKBEUKMJD-FABFSAKGSA-N 672.115 5.774 5 40 KKBB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)C1=O 205693911 LWJYKQXGDWRJQX-VXLYETTFSA-N 540.472 5.404 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224333185 HHZQFCFGRVPWQL-MUUNZHRXSA-N 613.136 5.310 5 40 KKBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 225116325 UBPCTOYARRWMBZ-MHZLTWQESA-N 535.666 5.001 5 40 KKBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 225747171 UEKBETVLKCJZHU-NDEPHWFRSA-N 533.694 5.549 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)cc1 408565057 BBUUTMPUHVJXOV-DEOSSOPVSA-N 573.444 6.175 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 408565297 BPZNNAFVBZHAMR-DEOSSOPVSA-N 556.000 5.835 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(Cl)c1)[C@H]1CCCN12 408568350 TYULBJYLDBUPFK-AWTIUKJOSA-N 524.404 5.627 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408576511 XNVSLCUXPZAKEX-VWLOTQADSA-N 668.397 7.741 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)O)o1 408633064 LHEGWVBBXAGLOB-WSDLNYQXSA-N 556.021 6.984 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408676625 BAYDKPCGDBPWQB-UHFFFAOYSA-N 584.155 5.970 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408680816 GYXVHENGSBZKTF-UHFFFAOYSA-N 573.603 6.715 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408736196 KVRYXRQBGFNQMO-QUNTYYFUSA-N 737.585 6.302 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408826345 LHRVYLMBVIYBIR-CBZJRHMXSA-N 724.839 7.618 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408837716 LYTJCASEUNFIAA-VLOXRPPESA-N 603.962 5.162 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)c1ccc(Br)cc1 409224954 MTIKETJKZTZJAB-YDZHTSKRSA-N 553.390 5.856 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409275285 TVFYNYAWTLLYRQ-YSGLVZJUSA-N 652.773 5.479 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCC(C)CC4)C3=O)cc2[N+](=O)[O-])cc1 409275299 UAODKYAREJHFQB-HMAPJEAMSA-N 511.625 5.349 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)c(C)c1 409373344 HHYMNFCYGJPXLR-WSDLNYQXSA-N 505.552 5.763 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)o1 409384321 AZLMCYJEQYIGGL-SRZZPIQSSA-N 558.952 5.452 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc34)C2=O)o1 409387019 SMOQQHHUPZCBKL-AFUMVMLFSA-N 544.541 5.943 5 40 KKBB C[C@H]1CCc2c(sc3c2c2nnc(SCc4ccccc4)n2c2nnc(SCc4ccccc4)n32)C1 2292518 RWWSEZVLMWAPPW-KRWDZBQOSA-N 528.732 6.696 5 40 KKBB Cc1ccc(N(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 34657374 INBSKBUAAJTFLE-DJPFJPOOSA-N 508.040 5.001 5 40 KKBB C=CC1=C(C)c2cc3[nH]c(c4c5nc(cc6[nH]c(cc1n2)c(C)c6CC)C(C)=C5C(=O)C4)[C@@H](CCC(=O)O)[C@@H]3C 42887623 JUDGRMABQJKRPW-UWJYYQICSA-N 534.660 6.833 5 40 KKBB O=c1/c(=C\c2cccc3ccccc23)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 58833932 UPUYQILOTAFOAH-NNAGEYCMSA-N 515.594 5.380 5 40 KKBB CC(=O)Oc1c(C)c(C)c2ccc3c(OC(C)=O)c(C[C@H](C)OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3c2c1C 68601676 QNFILAJPGUKMPY-ZDUSSCGKSA-N 552.576 5.114 5 40 KKBB Cc1cccc2c(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc(-c3ccc(Br)cc3)nc12 97948709 PDCRXVGLHPPJCX-UHFFFAOYSA-N 597.421 7.713 5 40 KKBB CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]3c2ccc(OCC)cc2)cc1 97983329 OVEBLQBUPDIOPA-AGOSLVPCSA-N 560.050 7.482 5 40 KKBB O=C(NCCC12CC3CC(C1)CC(CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)(C3)C2)c1ccc(Cl)c([N+](=O)[O-])c1 97984452 HHWKHOARTGFRKE-UHFFFAOYSA-N 589.476 6.336 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100301691 KNWXKDXXMFVWOF-UHFFFAOYSA-N 533.856 5.370 5 40 KKBB O=[N+]([O-])c1ccc(C2=NN(c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)[C@H](c3ccccc3Cl)C2)cc1 100814413 KHULGWGRJNHAMB-MHZLTWQESA-N 540.410 7.868 5 40 KKBB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)c2cc(S(=O)(=O)Nc4cccc(C)c4)ccc23)c1 102415368 UOBFIXGETIMCRK-UHFFFAOYSA-N 534.615 5.165 5 40 KKBB CC(C)[C@@H](NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 102901323 DLKBRBGTHKCPON-RUZDIDTESA-N 546.567 7.053 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)C[C@@H](O)COc1ccc2oc3ccccc3c2c1 102929435 SUHAOCWMJQQSJU-HSZRJFAPSA-N 546.601 5.433 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103553027 KHCVIOANXKIKGD-CDACFMRSSA-N 571.589 5.460 5 40 KKBB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)CC2)c1 104146719 XEOMDJAHYRSQBQ-UHFFFAOYSA-N 556.575 5.087 5 40 KKBB COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl 105305960 HQQBYXWJINPZLF-UHFFFAOYSA-N 580.070 5.416 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 163665585 AAFUKNNEARYZQF-VIYYDIFJSA-N 755.556 5.195 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163737306 OHZMIGFURRVOLH-LWUPDDLQSA-N 674.053 5.490 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223646432 JAMMMTNSCJRYEQ-PMERELPUSA-N 669.587 5.873 5 40 KKBB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224781122 ANWQGRCRGSZTRO-KYJUHHDHSA-N 563.708 7.417 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1Cl 225139501 MRBQTAZMSXETRV-UIOOFZCWSA-N 561.067 6.206 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 225540486 NGVAPUISSKIOFC-CLJLJLNGSA-N 513.579 5.251 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260880195 CEEJQMYSANXMIO-GDLZYMKVSA-N 691.634 5.765 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408563862 BFRQKFBLGRCHLM-FODJJAHYSA-N 617.294 5.321 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408568377 UFAKGGMKOWJYIE-BBFXTFFKSA-N 564.436 5.091 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)n1-c1ccc(Cl)cc1 408570984 MNMLFAZNWDFMSF-QHCPKHFHSA-N 577.863 6.820 5 40 KKBB Cc1ccc(C)c(NC(=O)CSc2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C(=O)O)cc3s2)c1 408750491 NUMJYWGNYLKGKO-UHFFFAOYSA-N 536.591 5.503 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)o1 408756044 HDTBJNVDWLWPHC-UNDLXJOSSA-N 545.620 5.795 5 40 KKBB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 408796123 DRQMVMSUYBIPPR-ZYQXAYLFSA-N 523.034 7.562 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408828040 NDYLQECSWWPXBV-NULZLWRNSA-N 648.137 5.646 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408841243 DSWIORVMTXAUGO-WOJGMQOQSA-N 549.904 5.935 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916886 HZUMYWQKNJWCCX-CIAFOILYSA-N 559.825 6.826 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 408916903 IJTOAZNTZHPUGX-FSJBWODESA-N 545.400 6.726 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 408927996 ZJFVHEUOFKNSMS-FVUNBJOLSA-N 652.798 6.128 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)cc1OCC 408940477 USJGSYUJWSKNIQ-QRTVLOPISA-N 755.556 5.195 5 40 KKBB Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc([C@H]5N[C@@H](C(=O)O)CS5)cc4[N+](=O)[O-])sc3c2)cc1 408994276 YXKPWVJOKUDKTN-JPYJTQIMSA-N 552.659 5.705 5 40 KKBB CCCCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(OCC)c3)C(=O)O2)cc1 409003755 KSYIVIUUNJVPCF-JLPGSUDCSA-N 530.533 5.736 5 40 KKBB CCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409072884 FCVWIDKGKMKXKE-CXUHLZMHSA-N 636.205 5.439 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 409192955 GLLXEMGQOPRXMX-SZYVSPPHSA-N 751.674 6.737 5 40 KKBB O=C1S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C(=O)N1c1cccc(Cl)c1 409208780 ABDHUVIVQNSTJH-KEBDBYFISA-N 718.694 7.277 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)cc2[N+](=O)[O-])cc1 409348382 SKDOESGQIPOSKX-XKZIYDEJSA-N 631.473 6.334 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C(=O)N1Cc1ccccc1 9428324 FYJZSTHYPIYGTO-CYXNTTPDSA-N 511.559 5.370 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20153081 BKGBPYMFVLVTJK-UHFFFAOYSA-N 514.991 5.118 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 100954383 VWXRDJZFOBWBRX-OBDCIHEFSA-N 608.651 5.798 5 40 KKBB Cc1ccccc1C1(c2ccccc2C)S[C@@]2(SC(C(=O)c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)c2ccccc21 103768946 LCTUZEWSFSZSRA-BHVANESWSA-N 613.764 8.810 5 40 KKBB CCOC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 103898245 RGDUODWRTPLGQL-UHFFFAOYSA-N 543.498 6.435 5 40 KKBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3)CC2)cc1 105394415 UAQBVDWHTPFZEY-UHFFFAOYSA-N 549.052 6.240 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 105499193 LTLPDLZLHLWHGI-ASZNLBCTSA-N 601.706 5.007 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 150342270 GTWCJTCLUDDBKZ-ITIZVALFSA-N 658.914 5.391 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 161986313 WLYNQEYGJMAHRQ-UHFFFAOYSA-N 669.076 6.387 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccc(C)cc3)cc2)o1 224721911 OBMMEXLQXAYJPH-CONSDPRKSA-N 578.650 7.536 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(Sc4ccccc4)o3)cc2)cc1 224785330 NMGFUSBQBVLBKN-URLMMPGGSA-N 582.732 8.062 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225093428 PNIDSIBEPWSMNN-HKBQPEDESA-N 683.614 6.262 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225623516 XRQGJMOSIOLDAA-MHZLTWQESA-N 635.570 5.224 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225639473 KUDWTPSBQRLSHU-FQEVSTJZSA-N 651.569 5.356 5 40 KKBB Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 229906662 WMZUMKLGYFTYLW-GZNUUUAQSA-N 535.600 5.492 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccc3c(c1)OCO3)[C@]21C(=O)Nc2ccccc21 248342029 XHWJKRPGZBPKRW-XYIJYTLJSA-N 599.599 5.570 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C 260917417 GIDYLDXQBCOMPM-MGBGTMOVSA-N 642.778 5.511 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1Cl 408566607 FSIYXJVWJJXDJJ-XMMPIXPASA-N 511.003 5.927 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 408567153 GQBPJFOOWMWVEE-DEOSSOPVSA-N 648.377 7.189 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 408569916 KGDRAEOIFWCWCU-VWLOTQADSA-N 508.575 5.721 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1 408572032 QLEOVHQQAFJSKM-QHCPKHFHSA-N 604.870 6.589 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 408618150 CIXWEBSMMMMYGY-BMPBIMJCSA-N 665.145 8.054 5 40 KKBB CCOc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408633738 LWDJPGKJDWWCDP-UCQKPKSFSA-N 553.980 6.494 5 40 KKBB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408644965 SAHLMCQKTRZBBH-LLVKDONJSA-N 611.221 6.142 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408647379 VGIDNPPKFKGVAD-UHFFFAOYSA-N 693.710 8.190 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c2=O)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732539 WMXOQYGSHZJNGA-FUBXCCAHSA-N 749.842 6.771 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C(=O)O)cc3s2)c(C)c1 408748965 CZGMFYRFBCMMGF-UHFFFAOYSA-N 536.591 5.503 5 40 KKBB O=c1/c(=C\c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408770355 WMLGIWVOVQCPHI-VNOBABJFSA-N 723.630 6.181 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408835997 PACVGQNJQYOUPL-PRLWALMFSA-N 723.558 5.355 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408856692 LDENRUZUDFFWLO-MFCBUNOESA-N 608.072 5.407 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408916219 WELUDGBXMVBNBL-DGBHDHARSA-N 684.774 6.246 5 40 KKBB O=C(COC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1)c1ccc(-c2ccccc2)cc1 409018407 LXIADIGPPFWSNO-UHFFFAOYSA-N 564.597 8.184 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 409085657 FHCYLGZTTNNTCY-ZMOGYAJESA-N 594.558 5.378 5 40 KKBB Cc1ccc(NCc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)cc1 409111886 DROHAIQUVFTLRK-UHFFFAOYSA-N 506.194 6.619 5 40 KKBB CCOc1cc(CNc2cccc(Cl)c2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409122567 ZQXGTYPYURZDGH-UHFFFAOYSA-N 552.796 6.751 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 409171880 CKCITPCIANOTGS-GDLZYMKVSA-N 522.944 7.244 5 40 KKBB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)c1 409238907 MCNQCWSWRJVINC-LPYMAVHISA-N 522.355 5.338 5 40 KKBB O=C(CSc1nc2ccccc2c2nc(-c3cccc([N+](=O)[O-])c3)nn12)c1ccc(Br)cc1 2969057 XNTADOCJFSDKMS-UHFFFAOYSA-N 520.368 5.590 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 10327855 XDZXUIWHMLUDJW-UHFFFAOYSA-N 508.383 5.429 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc3sc4c(c3c2=O)CCCC4)cc1 12487126 BJHQWLZMDYIMMP-UHFFFAOYSA-N 506.609 5.273 5 40 KKBB C[C@@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1CCc2ccccc21 12540532 BXWVZWQDJWZWPM-OAHLLOKOSA-N 516.497 5.899 5 40 KKBB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3O)oc2c1 14275034 VNYGPFUUJOWLNG-UHFFFAOYSA-N 514.519 5.804 5 40 KKBB O=C(c1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1)c1cc2ccccc2c2ccccc12 17064243 DPJVZCMMGQJRGC-MUUNZHRXSA-N 516.641 5.786 5 40 KKBB Cc1nn(CCOC(=O)c2ccc(Br)cc2)c(NC(=O)c2ccc(Br)cc2)c1[P@@](=O)(Nc1ccc([N+](=O)[O-])cc1)N1CCOCC1 97984245 XYGHAGXAJFTVEK-YACUFSJGSA-N 776.379 5.997 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1[N+](=O)[O-] 100311408 JONMJQDANFLOQO-UHFFFAOYSA-N 557.382 5.397 5 40 KKBB Cc1ccc(S(=O)(=O)N(C(=O)Oc2ccccc2)c2ccc(OC(=O)Oc3ccccc3)cc2)cc1[N+](=O)[O-] 102628744 ZKHSKXOQLCGBSZ-UHFFFAOYSA-N 548.529 5.875 5 40 KKBB CCN(CC)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 102996263 GLTRBEUQLAQIMO-UHFFFAOYSA-N 595.461 5.588 5 40 KKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2nc(SCC(=O)NC3CCCCC3)sc2c1 103746075 YUACEWFDGZYMCL-UHFFFAOYSA-N 573.747 6.086 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 104658981 LMIDBXSMROOQKQ-HRIDGTDGSA-N 566.038 6.140 5 40 KKBB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)CC2)cc1 105317382 UVPALWQGNSVQMN-UHFFFAOYSA-N 569.643 5.252 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2-c2ccc(Br)cc2)sc2c1CCC2 150390057 ARVYVXZOPZODMY-UHFFFAOYSA-N 699.609 5.634 5 40 KKBB COc1cc(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3cc(OC)c(Cl)cc3OC)C2c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl 150406499 CQBWODBUHXEKMW-UHFFFAOYSA-N 657.507 6.448 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl 408564676 DNYQAEBHAAGYHV-CNBSGPCYSA-N 528.392 5.103 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 408565731 CXZGMWNMEPZRQI-QHCPKHFHSA-N 545.448 6.580 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2F)c1 408571268 OCRUVAQTMKGBQM-DEOSSOPVSA-N 557.445 6.475 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1ccc(F)cc1 408571952 QBIMGCRMWQZHBY-HSZRJFAPSA-N 567.857 7.364 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408664980 ZAVUQFSNAFYQGR-LQBPYSJUSA-N 571.973 5.088 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(-c5ccccc5)n(-c5ccc([N+](=O)[O-])cc5)c4-c4ccccc4)c(=O)n32)c1 408766508 CNRYFIGPAPXSSG-HCGJZGQXSA-N 743.845 7.915 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408823291 DSBAYZOHTLHQDM-KEPJHFNWSA-N 818.484 6.440 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408829772 XKSTXWNQJHWYTI-HRIDGTDGSA-N 739.588 5.597 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4cccc5ccccc45)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408832651 VLPRHUDEMKQINM-FUFNRSNVSA-N 772.983 7.397 5 40 KKBB CCN(CC)c1ccc(N2C(=O)c3cccc4c(Nc5cc(C)c(C)cc5Br)c([N+](=O)[O-])cc(c34)C2=O)cc1 409003297 ZHRVYJVPLZXIIJ-UHFFFAOYSA-N 587.474 7.518 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 409034960 OUEADHURCBHIGT-JLKMOJGBSA-N 592.677 5.018 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409048882 XPRIXQIEYPRXGG-KDDCWKTLSA-N 796.649 5.007 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409078184 GXBXILSCWHXBRY-INJWXVQMSA-N 682.549 5.445 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC 409102042 ZQLXQZBEZVKWFU-WWWKDLBZSA-N 628.776 5.480 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(N2CCOCC2)cc1 409142063 AUQBRGQJVUCCCD-OEAKJJBVSA-N 613.446 5.129 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409147684 YOTYITQEYJLHDS-QYIOYSLNSA-N 714.225 6.064 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409192985 GWKBEJJZPWFMOL-SSDVNMTOSA-N 575.824 6.839 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Br)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 409206957 XRJMAMBMIVVXDY-KEBDBYFISA-N 576.812 6.254 5 40 KKBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1 409321037 DGMWZABBUMSALM-YVMONPNESA-N 569.739 5.202 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409348642 OBFBWQWKFYTKQH-ZMOGYAJESA-N 592.586 6.102 5 40 KKBB O=C(Oc1ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc2c1)c1ccc([N+](=O)[O-])cc1Cl 1769086 NXMTYKWKJDMBIO-UHFFFAOYSA-N 524.234 6.913 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n32)cc1 2683600 STXLDCSCNHSQNG-RISWYLRJSA-N 575.668 5.077 5 40 KKBB Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)c3ccccc3n2)o1 3310888 FXCCXZGVEBAANW-MHZLTWQESA-N 541.947 6.902 5 40 KKBB O=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccc([N+](=O)[O-])cc1Br 4290081 OPAMSCXAGOBBGV-UHFFFAOYSA-N 506.150 5.804 5 40 KKBB C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@H](CCC(=O)OC)[C@@H]3C 5439067 RYLBYBPLWNFWPG-PGRDOPGGSA-N 548.687 7.495 5 40 KKBB COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cc(C)ccc2N(C(=O)c2cccc([N+](=O)[O-])c2)C1(C)C 8386571 HAYPNHRPZMXBMP-UHFFFAOYSA-N 712.780 5.134 5 40 KKBB Cc1cc(C)c(NC(=O)CCCSc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c(C)c1 13134946 OKQDHMCTJPXSHH-UHFFFAOYSA-N 505.662 5.206 5 40 KKBB O=[N+]([O-])c1cc([C@H](Nc2ccccn2)n2nnc3ccccc32)ccc1Sc1cccc2cccnc12 59488703 ABZCCGRAGBAQSL-HHHXNRCGSA-N 505.563 6.093 5 40 KKBB COc1ccc(NC(=O)CSc2nnc3c4sc5nc(-c6ccccc6)c6c(c5c4ncn23)CCC6)cc1 97952610 LQZGDUAGIRSLLN-UHFFFAOYSA-N 538.658 5.782 5 40 KKBB CCCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc21 100180529 FIOVTUPMCYRACU-QNGOZBTKSA-N 531.366 5.354 5 40 KKBB O=C(NCc1ccco1)/C(=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 100862676 MABVVIZVKLVETH-IMRQLAEWSA-N 533.544 5.128 5 40 KKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)o1 104659083 VLQXYYANLPCLOM-PYCBVSLESA-N 561.619 5.496 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)c5cccs5)CC4)c(Cl)c3)cc2[N+](=O)[O-])CC1 105303109 UPHLPTFCDDJIFP-UHFFFAOYSA-N 568.099 5.761 5 40 KKBB COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)cc1 105576412 OSRWWPQVRQHDFA-UHFFFAOYSA-N 521.467 5.463 5 40 KKBB O=[N+]([O-])c1cc2c(cc1I)[C@@H]1[C@@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 150389177 LWWGOSNUXCTQNH-MXLIJDCISA-N 844.613 10.304 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)n2-c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 150389947 HCSHUWSCSFDPSZ-UHFFFAOYSA-N 659.121 5.356 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 150492541 JKDUVCMZFAACKV-YIECNSLDSA-N 630.078 5.782 5 40 KKBB CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OC(C)=O 163765853 UFXDKIBFSFWXOI-JBDHCHCMSA-N 646.519 5.313 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1c(Cl)cccc1Cl 214787015 BZUPEUHTYJRVTA-DJKKODMXSA-N 509.754 7.052 5 40 KKBB COc1cc(C)c([C@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1C(C)C 223279161 RICWZXZLJFRLDQ-FQEVSTJZSA-N 525.627 5.108 5 40 KKBB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223307248 DYPYJRSJYPDWQY-HSZRJFAPSA-N 671.987 5.621 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223319628 BXBRPKCSODVSJL-RUZDIDTESA-N 526.058 5.258 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N4CCOCC4)cc3)o2)cc1 223957430 BJCRYRFEURAFMC-KAYWLYCHSA-N 527.606 5.264 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224527461 HKHIWXOWJDVRCW-WJOKGBTCSA-N 697.641 6.652 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 225562360 POSZAIZRDACMRC-NSOVKSMOSA-N 541.633 5.814 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 408566238 FCZOFBGDGPCRFO-DEOSSOPVSA-N 573.444 6.175 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408567126 GOBZMDHOMYOWJW-AREMUKBSSA-N 555.056 6.326 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1C 408576563 XSEHVYUXXDJSHO-VWLOTQADSA-N 587.927 7.298 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Cl)cc1Cl 408640938 BQVQNDPVXWZFIT-QYVRTBTHSA-N 626.452 6.034 5 40 KKBB CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408642616 NIAMKWXZLSPJLH-HNNXBMFYSA-N 773.026 6.960 5 40 KKBB CC(C)(C)c1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 408670954 XUNGBWSWOXWJPM-IBGZPJMESA-N 531.565 5.219 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1 408849388 YEEVLTYSHJELBR-XDHOZWIPSA-N 572.165 5.684 5 40 KKBB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 408924438 IWRUYSZNAPYOTB-FVUNBJOLSA-N 636.730 5.415 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408975886 OSCFPXVWSNIDNY-KZNYZXKZSA-N 766.762 7.908 5 40 KKBB Cc1cc(Br)c(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc(C(=O)O)c2)C3=O)cc1C 409002607 VPKMMLJEBRMWCO-UHFFFAOYSA-N 560.360 6.370 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)c1 409095450 COQWNJJKXMLJTJ-WSDLNYQXSA-N 555.374 5.320 5 40 KKBB COc1ccc(Cl)cc1C1=N/C(=C\c2cc(Br)cc(Br)c2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C(=O)O1 409195664 UXSTXFOJUXYDSC-DYERZYITSA-N 662.674 6.745 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1 409273393 QMWDCNNGJPTEGI-RYOBIWAXSA-N 599.738 5.080 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 409333959 GICMFPASCWIWLA-XLHJEKARSA-N 756.840 6.224 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 409348454 PIZAGPRRGRSFFV-OAQYLSRUSA-N 579.510 6.069 5 40 KKBB Cc1ccc(S(=O)(=O)c2c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n(CCC(C)C)c3nc4ccccc4nc23)cc1 1842657 UIGWBVXKNWJUIZ-UHFFFAOYSA-N 593.687 5.481 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2cccc(Cl)c2)=Nc2ccccc21 1900934 DXSKXMNRECJVCF-MUUNZHRXSA-N 560.017 7.538 5 40 KKBB CC(C)(C)[C@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c4ccccc43)c2C1 6142497 LUFLXRSCTRUMDK-HNNXBMFYSA-N 513.015 7.099 5 40 KKBB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 6632118 BCZNXSTYRXQCQO-QYRZKEDASA-N 506.558 5.701 5 40 KKBB COc1cc(NC(=O)c2nn3c(c2Br)N[C@@H](c2ccc(Br)o2)C[C@@H]3C(F)(F)F)cc([N+](=O)[O-])c1 8444709 JVXVKHYIEATKMT-DGCLKSJQSA-N 609.153 5.831 5 40 KKBB O=C(NC(=S)Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8835837 YDGXHMYQEWFMNN-UHFFFAOYSA-N 514.563 5.095 5 40 KKBB O=c1c2ccccc2nc(-c2cccc([N+](=O)[O-])c2)n1-c1cc(Br)ccc1Br 13942962 SZOPYMFEVUQOPW-UHFFFAOYSA-N 501.134 5.486 5 40 KKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc12 101057344 XCXFITHVYXMDQP-UHFFFAOYSA-N 526.954 5.850 5 40 KKBB O=S(=O)(/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2s1)c1ccc(Br)cc1 101459204 OGOHOBTZJASFCS-GNVQSUKOSA-N 547.455 6.915 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 104659114 KBTADJQGSFUIIQ-NULZLWRNSA-N 566.038 6.140 5 40 KKBB O=C(NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105311231 ZDAAPHXEKCJJGO-UHFFFAOYSA-N 522.974 5.178 5 40 KKBB Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)oc2c1 105312936 QWBJBYMTXDHTNX-UHFFFAOYSA-N 529.622 6.137 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c2=O)=N1 164191023 SKKMYZFJDHJYBW-OKMHPQNISA-N 704.714 5.213 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1 164545696 HBJWAORCUKBARL-CTIXHBHKSA-N 758.856 7.977 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223525225 RIWIJTLBESTVTB-HKBQPEDESA-N 758.091 6.299 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 224479643 MTBKYQPAMXOMIB-DNQXCXABSA-N 506.971 6.089 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3C[C@@H]3CCCO3)cc2)cc1 224768409 VRPBBOVLQJBATP-XDAJTCOGSA-N 557.701 6.299 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 224786440 FRTNYONXHMTAIH-VMPREFPWSA-N 595.662 7.486 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 247351555 WBXVQSYZJIZOMV-TVNXZVQQSA-N 620.459 6.213 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408564707 FBFHUVXAZJUSBG-BWBSTZKSSA-N 572.843 5.258 5 40 KKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 408572486 RHMGCDIRFXSGCG-ZAZCVSCESA-N 577.262 5.903 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)O)o1 408632531 JLUKCIFRSDSTNQ-GXHLCREISA-N 568.778 7.091 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408768453 JJAWNUSUNJCRKW-MQIAMDAWSA-N 688.940 5.400 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n32)c1 408778272 RYLLNOBPIFRTCL-PKYOQBLNSA-N 627.078 5.704 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408785826 ZSJXBTIANSVWSI-KUSDHMTMSA-N 649.656 5.202 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408825646 BHCVUZAYXXVNKF-ZYDFGXJWSA-N 791.813 7.551 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 409030968 FXUGZMBULLIWGK-PLMBTIQCSA-N 727.033 6.490 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c2=O)=N1 409039058 WCDOLAORZOKLIO-UAMLYEQYSA-N 648.137 5.728 5 40 KKBB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409073816 TXAKIVNNCVMIDE-UUYOSTAYSA-N 695.773 6.500 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409099453 NOQFXMANZMUNKG-JEBSQDRDSA-N 741.664 6.515 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409101458 XUGMFRUIOHNBIP-DFXMODJXSA-N 636.730 5.742 5 40 KKBB O=C1Nc2ccccc2/C1=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 409129565 HDDMLBMKESMRRL-MFOYZWKCSA-N 624.172 5.876 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc2c(c1)OCO2 409156593 KPZWKWWLSUEQFC-LSFURLLWSA-N 587.488 5.810 5 40 KKBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)cc1Cl 2254310 IXRAJAJNSRRPTI-UHFFFAOYSA-N 502.361 5.647 5 40 KKBB O=C(O)c1ccc2c3c1c(-c1ccc4c(=O)n5c6ccccc6nc5c5ccc(C(=O)O)c1c45)ccc3c(=O)n1c3ccccc3nc21 4016075 CHADZIHIWHPQTK-UHFFFAOYSA-N 626.584 6.561 5 40 KKBB CCC1=NN(c2ccccc2)[C@]2(SC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)c2ccccc21 9329919 GCRNUHJCCFMUFE-GDLZYMKVSA-N 505.603 6.955 5 40 KKBB Clc1c(Cl)c2c(Cl)c(Cl)c3c(Cl)c(Cl)c(Cl)c4c(Cl)c(Cl)c(c1Cl)c2c34 59321687 PCEGQBZAYJMQAZ-UHFFFAOYSA-N 546.706 11.118 5 40 KKBB O=CC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1 97997023 GZTGXKPVVMVWAY-UHFFFAOYSA-N 642.762 10.893 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OCc5ccccc5)c(OCC)c4)[C@@H]3C2=O)cc1 98000309 XFILOKFZRPTWTH-DSPMFFIESA-N 623.662 6.412 5 40 KKBB O=[N+]([O-])c1ccc(C(OC(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1 100171817 CFNBBYGSZCDSGF-UHFFFAOYSA-N 530.449 6.215 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n31)c1ccccc1CC2 104654716 STQXRQIQPKSYAC-JLKMOJGBSA-N 561.619 5.496 5 40 KKBB Cc1ccc2c(c1)[C@](C)(c1ccc(Br)cc1)CC(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 105513331 BGMDMONOHRMTCE-NDEPHWFRSA-N 583.935 8.669 5 40 KKBB Cc1ccc(-n2c(COc3c(C)cccc3C)nnc2SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 108044837 HEGUCPMVNYIVFX-UHFFFAOYSA-N 517.611 5.719 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222534742 DXHGNCBOBCBGBI-QNGWXLTQSA-N 728.868 6.205 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222755470 DNSFVMUBRCLWDD-OAQYLSRUSA-N 512.459 5.467 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223385412 MWNIAPKQEMLGDM-HXUWFJFHSA-N 621.543 5.431 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 223918049 ULFVDOOXBMUSGF-NRFANRHFSA-N 677.607 5.890 5 40 KKBB Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224788240 PHTYVGMLGYKRIX-IHLOFXLRSA-N 599.137 8.540 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC 225197832 XZVPMRHHSDAPBZ-RRPNLBNLSA-N 543.605 5.784 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 248337235 PPCVFMUUBPASDY-CKXMCULTSA-N 561.619 5.903 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260823553 YWJOAZBUGRHKGB-HXUWFJFHSA-N 712.052 6.543 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 261032617 JRHKVEDNPFANNL-UUWRZZSWSA-N 686.831 5.970 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 408565978 DMABLOUMFWFQAS-VWLOTQADSA-N 573.502 7.279 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408568607 ICAGWOBFPGXCLA-LDWIUKIUSA-N 542.419 5.539 5 40 KKBB COc1ccc([C@@H]2C=C3c4ccc5ccccc5c4OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@@H]32)cc1 408733287 WZPCREGRXILSDE-GXBVYBDKSA-N 576.561 5.287 5 40 KKBB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 408931808 QNZNHTCGJNKUBO-JJFYIABZSA-N 586.826 6.081 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OCc5ccccc5Cl)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC 408956804 ZQSVAOAAVXSQCR-UONGPDOGSA-N 729.005 5.719 5 40 KKBB O=C1N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1Cc1ccc(F)cc1 409009558 AXGHIQVEWHULRL-SRZZPIQSSA-N 516.312 5.713 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)c2=O)=N1 409031131 GJZDDCNCGQOROA-ZJTZAHLKSA-N 664.534 5.057 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409102694 SZDHKPGVZHVPBD-GARKAJJMSA-N 639.778 5.164 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 409163907 ZIPGAUWJFLEPDS-WSDLNYQXSA-N 557.506 6.389 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409165652 APQXPRFOAZEIME-DHRITJCHSA-N 626.043 5.688 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccc(F)c(Cl)c1 409223919 HPBQGRPCQMXLBV-DJKKODMXSA-N 536.324 5.976 5 40 KKBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409230448 DJYQTTNCNWIBHB-SSDVNMTOSA-N 552.381 5.346 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409373363 HWJDQWVFXQMDNU-DHRITJCHSA-N 561.616 5.783 5 40 KKBB O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2N(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2)cc1 575421793 RRINXLRWMNWQCP-ACHIHNKUSA-N 600.697 5.373 5 40 KKBB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12)OCc1ccccc1 2090775 LAAFWHSSCNSQAW-MUUNZHRXSA-N 532.552 5.871 5 40 KKBB biogenic Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccc(Cl)cc6)cc5)nc34)c12 13644191 BDUJMPPVXCRFNC-UHFFFAOYSA-N 507.953 7.033 5 40 KKBB O=C(Nc1ccc(I)cc1)c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)C2=O 33358237 SUNRLQCZWDWJBT-UHFFFAOYSA-N 621.412 6.404 5 40 KKBB Cc1ccc([P@](=Nc2cc([N+](=O)[O-])ccc2Br)(Oc2cccc(Br)c2)C(C)(C)C)o1 97983417 CXGIHEXCNSVYDF-PMERELPUSA-N 556.191 7.972 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 100350730 ZYZAVIHVKXLAHP-UHFFFAOYSA-N 621.089 9.343 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)c2ccccc2C)C1=O 100947359 ZNPUNYMULKQAQG-SSEXGKCCSA-N 577.597 5.127 5 40 KKBB CC1=C(C(=O)Nc2ccccc2Cl)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccccc2Cl)=C(C)N1 104240817 BSPXDIOFJVOYFT-UHFFFAOYSA-N 537.403 6.414 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 105499190 LTLPDLZLHLWHGI-YNMQQHPQSA-N 601.706 5.007 5 40 KKBB CCCc1ccc(C(=O)N2c3ccccc3[C@H](N(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c3ccccc3)C[C@H]2C)cc1 105513464 SQGFWLDELGHQIA-YKGWIAGDSA-N 624.162 9.243 5 40 KKBB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 108939885 ZGYIQVRBKAUIGB-FMIVXFBMSA-N 614.555 6.388 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 150492538 JKDUVCMZFAACKV-NAIWQIQESA-N 630.078 5.782 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccccc1 214674489 PCQBNSXKONVRSR-SRZZPIQSSA-N 622.375 6.843 5 40 KKBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222677873 CDCHNCGIWXYMFA-MHZLTWQESA-N 665.596 5.746 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223687300 OFWKHQABULGAFV-RUZDIDTESA-N 560.503 5.911 5 40 KKBB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224768116 RFZXKDDAYCXKIX-FTJBHMTQSA-N 531.663 5.766 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12 225711030 LWQITVYVXADVHD-IHLOFXLRSA-N 562.655 5.935 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408568385 UFAKGGMKOWJYIE-XABOBXATSA-N 564.436 5.091 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 408646210 TXDRETYMODATDC-ZBWOKKAISA-N 720.991 6.588 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408678853 DNKMBACJLCYCMB-TUSFPTNYSA-N 692.981 6.906 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n21 408952821 VYGZUFDVBOWLOA-QARYAGPDSA-N 638.496 5.126 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409031591 HOFDBMYLQSOSLS-LMWPEEHHSA-N 845.519 5.761 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1 409085720 CVKMQJLGOHXOSV-NPNXEGEYSA-N 655.736 5.794 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 409115042 HXIGSSZRJCQSKA-UHFFFAOYSA-N 517.563 5.251 5 40 KKBB CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409148108 XHGULFIKUKAGOZ-FQEVSTJZSA-N 585.008 5.736 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCc1ccc(Cl)cc1Cl 409174848 WEXBRAZVDYWKBH-UHFFFAOYSA-N 535.723 5.721 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O 409242798 PBXVHHMDOANHDU-FSJBWODESA-N 609.433 5.039 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4c(ccc5ccccc45)C3=C[C@@H](c3ccc4c(c3)OCO4)[C@@H]2C1=O 409337379 ZVHSUPOWKRFYON-OUEGXDDWSA-N 574.545 5.307 5 40 KKBB COc1cc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c(OC)cc1Cl 1428252 SGYNQWFJLXZJFD-RUZDIDTESA-N 563.954 5.271 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1c2ccccc2N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1 3184124 TZHRTHXFBYXBTA-AREMUKBSSA-N 560.835 7.923 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1 3225867 JLWUJDJUXVWAJY-UHFFFAOYSA-N 588.809 5.160 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 96836819 OAFSUZWLLTTXGQ-PLQXJYEYSA-N 500.507 5.424 5 40 KKBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 97971191 POAIZWYNQTWSIP-BQUXJIQDSA-N 551.386 7.247 5 40 KKBB O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 102871712 NZYFSQLOPMUSLX-PVHODMMVSA-N 553.502 5.004 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 103551381 BPUCYKFKHMPCOM-MFUXGYHDSA-N 531.524 5.044 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 103570238 ARFPDNHPVKDBPQ-LNHQPZRBSA-N 541.563 5.451 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105312056 SZATXUXEPDRGRM-UHFFFAOYSA-N 538.054 6.252 5 40 KKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 106741135 WSJMONDEDIRKAE-RMORIDSASA-N 524.938 5.792 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n31)c1ccccc1CC2 163205818 BSUBYYMAAUHHMF-FVUNBJOLSA-N 853.476 7.024 5 40 KKBB O=[N+]([O-])c1ccc(N2N=C(C(F)(F)F)S[C@@]23c2ccccc2C(c2cccc4ccccc24)=NN3c2ccccc2)c([N+](=O)[O-])c1 164774116 YPCSXULFMICNDR-JGCGQSQUSA-N 640.603 8.168 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 214420751 NXVQMUGPHXGALW-WYMPLXKRSA-N 559.427 7.116 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3-c3cccnc3)cc2)cc1 224762240 SJPGECIBOJDVIU-WUFINQPMSA-N 550.669 6.504 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225089796 DVIHJPMCQSXARN-DHUJRADRSA-N 753.705 7.113 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225190050 RJAQMDNXONVACC-DEOSSOPVSA-N 501.624 5.223 5 40 KKBB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225346685 CQICUSIKITXHKA-MHZLTWQESA-N 665.596 5.748 5 40 KKBB CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 225560435 VNAASQGGKOOBAE-FQLXRVMXSA-N 571.659 5.822 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccccc1)[C@@]21C(=O)Nc2ccccc21 229926969 YEKSFGXTSXPVKO-DCMQHHMNSA-N 555.590 5.841 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)cc1 408568655 IEMJGNSDKKFELX-AREMUKBSSA-N 631.524 6.964 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408656464 SODDMMARODULDE-JWQCQUIFSA-N 561.978 5.456 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408686006 QVXCYBMBZWXGAL-ZYNNUQKQSA-N 624.091 5.599 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729215 CXGPYZPWVAQLHI-ZJTZAHLKSA-N 661.048 5.788 5 40 KKBB O=C(Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1)c1ccccc1C(=O)N1CCCCC1 408749414 OGMATUQQRPJQDO-UHFFFAOYSA-N 532.647 6.375 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)o1 408794686 ATVOQZLQQDXTLQ-WALOUZIOSA-N 502.616 7.217 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OCC)c4)c(=O)n32)cc1OCC 408953438 WJLQZXQNQDRZJD-GTGQMDHASA-N 769.583 5.585 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1 409036603 RXKYGCAYQCVTOI-UQDCTOEPSA-N 587.654 5.062 5 40 KKBB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 409176965 CNZYCWZBBNZESP-XMMPIXPASA-N 500.429 5.500 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O 409180874 SZOZYBWJVROVNF-MHZLTWQESA-N 565.494 5.393 5 40 KKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3nc4ccccc4n3c2=O)nnc1-c1cccc(Cl)c1 409190349 XKDLVJNKNDJAJE-HYARGMPZSA-N 561.048 5.448 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 409191447 HRURARIKYZUTBM-MIUGUJGPSA-N 731.212 5.518 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCN(c2ccccc2)CC1 409194690 LIMNEOSSXISXEV-MFKUBSTISA-N 691.482 6.554 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409271361 BUXULBUKUGLXJS-JVWAILMASA-N 573.627 5.194 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1F 2759618 XSJCNVVAYAZKQJ-UHFFFAOYSA-N 557.115 6.199 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1NCc1ccccc1 9720461 QDFUZDJIJOGAAZ-UHFFFAOYSA-N 521.426 5.025 5 40 KKBB CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)(O)OCC[N+](C)(C)C 13540662 SPJFYYJXNPEZDW-FTJOPAKQSA-O 520.668 5.544 5 40 KKBB endogenous,in-man CC(C)(C)N(C(=O)OCc1ccccc1)[C@H](Cc1ccc(O)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 64219758 QQVHIIKQSAHFLH-RUZDIDTESA-N 506.555 5.392 5 40 KKBB Cc1c(-c2ccc(Br)cc2)nn(Cn2cc([N+](=O)[O-])cn2)c1-c1ccc(Br)cc1 97945251 WXIUHEPWNYMDFK-UHFFFAOYSA-N 517.181 5.661 5 40 KKBB Cc1c(Cl)ccc2c(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc(-c3ccc(Br)cc3)nc12 97945959 HQISVISWCCAKTM-UHFFFAOYSA-N 539.769 6.574 5 40 KKBB CN1/C(=C2\C=NN(c3ccccc3)[P@@]2(=Nc2ccc([N+](=O)[O-])cc2Br)N2CCCC2)C(C)(C)c2ccccc21 97984495 ZNVZGNRSZZDDTI-MNJBBWKISA-N 605.477 8.261 5 40 KKBB O=C(NC(=S)Nc1c(Br)cc(Br)cc1C(=O)O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 100007552 UHZHTPBXQSIXSE-UHFFFAOYSA-N 569.187 5.205 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 100299628 ALXWNJBZWFPZOX-UHFFFAOYSA-N 537.384 6.990 5 40 KKBB O=[N+]([O-])c1ccccc1SN[C@@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl 102580384 RVKMCRWPHAQOEH-CYBMUJFWSA-N 530.684 5.637 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 102889848 MGXMYFRTHHVETP-NGDRWEMDSA-N 593.592 5.654 5 40 KKBB CCC(C)(C)[C@@H]1C/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2nc3ccccc3c(C(=O)O)c2C1 102970357 AWGJZXOMBMPILK-UWXVCKHVSA-N 531.008 8.294 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)NCCSCc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 104708724 XWXCKDIFLFSLRM-UHFFFAOYSA-N 598.530 5.464 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105313407 QVOMUGBKZCWEPQ-UHFFFAOYSA-N 560.591 7.457 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)c1 111468536 RCFMJBGLZJRDJS-UNDLXJOSSA-N 622.659 5.059 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112244057 ANABDFVQQAPQBH-UHFFFAOYSA-N 572.430 5.673 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 150353213 YWWYYPITDJESIH-PZZXBQDJSA-N 637.091 7.437 5 40 KKBB COc1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(C)cc3)n2-c2ccc([N+](=O)[O-])cc2)cc1 150427359 CRSOZDGWTRPGGO-NDEPHWFRSA-N 667.773 5.954 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 163640285 ZYMICKXRTTZUGT-LMSRTUJASA-N 722.525 6.533 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223663333 WMODAVUHSFJBDY-WJOKGBTCSA-N 748.085 6.844 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224586539 CCHZFUPDVXMSGK-AREMUKBSSA-N 588.557 6.690 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 225228916 BMGPSWADNQLEHX-KAYWLYCHSA-N 559.604 5.020 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225602361 IGKGFNDPSNAADN-MHZLTWQESA-N 665.596 5.233 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@H](C3=O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C3(Cl)Cl)cc2)cc1 408642269 MPVSPYORGXXVOL-OZZHJSSWSA-N 786.235 6.809 5 40 KKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704567 PROFXGDHAGYMRV-QHCPKHFHSA-N 502.379 5.928 5 40 KKBB COc1ccc([C@@H]2C=C3c4c(ccc5ccccc45)OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]32)cc1 408729654 BUJYPBHBXXAXMH-SUFMYBPMSA-N 560.562 5.587 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1)c1ccc(-c2ccccc2)cc1 408748467 APEOKJMCHMUACC-UHFFFAOYSA-N 569.620 6.797 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408835435 XLIFHVAQBGHWMU-UQDCTOEPSA-N 678.561 5.365 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408836726 USLLRQCMDBPNQG-ZGOFBEGVSA-N 648.535 5.356 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(Br)cc1 409175480 RSQMPRQNDLILJN-CFRMEGHHSA-N 591.443 6.035 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409192319 WJPVABQOFFMSDR-VEOKEAFVSA-N 800.750 7.417 5 40 KKBB COCCN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409205488 NVGBMFMOIOULAI-RQZCQDPDSA-N 547.305 5.851 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1ccc(F)c(Cl)c1 409217970 GKBCGOKGODDKRG-ODCIPOBUSA-N 674.810 7.636 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409274060 UOWOKIHQUNMBHB-AFUMVMLFSA-N 547.589 5.474 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409349926 WNCCRCBAZDDUSC-YDZHTSKRSA-N 738.354 6.615 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)o1 409390901 YGOGZADRCLXEPU-SRZZPIQSSA-N 573.377 5.552 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 604418933 WCTYQKOJXDKZKL-VGBJTSDXSA-N 620.459 6.213 5 40 KKBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cn(-c2ccccc2)nc1-c1ccc(OCC)c([N+](=O)[O-])c1 1297652 PGAGYNXIJBWHIC-UHFFFAOYSA-N 560.607 5.207 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 1317212 VFDJNELIPCLBFQ-UBFVSLLYSA-N 550.354 6.213 5 40 KKBB COc1ccc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1Cn1nc(C)c([N+](=O)[O-])c1C 1794271 XTYWUTFKCAARSY-GDLZYMKVSA-N 537.620 5.760 5 40 KKBB biogenic Cc1cc(Br)ccc1-n1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 1875377 CXGCOGZIXHDNJF-UHFFFAOYSA-N 505.288 5.523 5 40 KKBB CC(=O)Oc1c(-c2cccc(-c3[nH]c4cc([N+](=O)[O-])ccc4c3OC(C)=O)c2)[nH]c2cc([N+](=O)[O-])ccc12 4265841 HQRJCLZLXMYIMZ-UHFFFAOYSA-N 514.450 5.650 5 40 KKBB COc1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 13108927 MARTYGGTOPTDRJ-UHFFFAOYSA-N 511.339 5.358 5 40 KKBB CCc1cccc(C)c1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2c(C)cccc2CC)C1c1ccc([N+](=O)[O-])cc1 73293933 OUPPURRNWKTNLT-UHFFFAOYSA-N 552.675 6.849 5 40 KKBB O=C(Nc1cccc(-c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)c1)c1ccc([N+](=O)[O-])cc1 96203372 DGVKCXSOXACIRV-UHFFFAOYSA-N 513.362 6.530 5 40 KKBB CCN(CC)c1ccc2c(c1)OC(=O)N(c1ccc(Cl)c(Cl)c1)[P@]2(=Nc1cc([N+](=O)[O-])ccc1C)N1CCOCC1 97984308 UXTANUOUFOSRKN-VQJSHJPSSA-N 618.458 7.396 5 40 KKBB COc1cc2nc(SCC(=O)Nc3ccc(C)c(F)c3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 101308210 VVEIMESJHMUISY-UHFFFAOYSA-N 548.556 5.048 5 40 KKBB O=[N+]([O-])c1ccc(C[N+]2(CCCNP3(=O)C=C(c4ccccc4)OC(c4ccccc4)=C3)CCOCC2)cc1 102135019 CQZRNOKQGIAFEI-UHFFFAOYSA-N 546.584 6.227 5 40 KKBB O=[N+]([O-])c1ccccc1SN[C@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl 102580733 PLTSYXHZTYPKPH-ZDUSSCGKSA-N 577.684 5.479 5 40 KKBB O=C1CS[C@]2(C(=O)N(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c3ccccc32)[C@@H]1c1cccc(Cl)c1 104161929 DMCKDAMGSRUZGA-VWNXMTODSA-N 532.927 6.109 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(OC)cc1 164554867 MLSSTYYYIOVPIC-HGGMLFSRSA-N 711.752 6.225 5 40 KKBB Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)C(C)C)c1 166333628 RMCCFSCVHAMZJR-QHCPKHFHSA-N 579.708 5.322 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223620060 NUELHNIUVSEGSR-UVMFRMCBSA-N 707.249 6.315 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1 408571011 MSSPYMVDIJLEJG-SANMLTNESA-N 647.979 7.478 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Br)cc1 408572645 RPZSKLQOKPRMAH-VWLOTQADSA-N 678.403 7.197 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 408576155 XLJCLNUFPBGHTC-DEOSSOPVSA-N 603.470 6.184 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)c1 408577039 YLARDXXLUXFNBX-XMMPIXPASA-N 539.455 6.336 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408683278 LBAWOICDPAIINS-QYVZARNFSA-N 598.442 6.351 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733930 RXJZDOLFUFIRMG-TZYWHCFRSA-N 710.721 5.771 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)n32)c1 408770115 SXAGTBJUZREEBM-MRWVFDTMSA-N 663.668 5.491 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c2=O)=N1 409050006 RXYMVIGQMOQZIT-RISWYLRJSA-N 760.404 5.653 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(s/c(=C/c3cc(I)c(OCc4ccccc4F)c(I)c3)c2=O)=N1 409083208 KSLQUHLCRVRRDL-CCVBWGSMSA-N 839.421 6.022 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409149974 WXUBPJNJXQNWEF-LIUIRDFASA-N 796.321 7.426 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409157586 JLSFOCYTGDTBPQ-ZMOGYAJESA-N 568.007 5.901 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c(C)c1 409181278 ANKFROZOBUBJIW-WGARJPEWSA-N 540.601 5.890 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409195146 UBKBXLJPBDJDQJ-WLNFRNCRSA-N 765.657 6.459 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)Nc1cccc(F)c1 409233779 XDVBRKZNRVZTKD-UFFVCSGVSA-N 538.469 5.109 5 40 KKBB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c1 8835437 ALDQGWLWOSEPKW-UHFFFAOYSA-N 515.595 5.747 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 100310147 MKTCAQDMYYHOAF-KRXBUXKQSA-N 514.719 6.176 5 40 KKBB CCN1CCc2c(sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2-c2nc3ccccc3s2)C1 100818233 IACIUVADJQAHJX-UHFFFAOYSA-N 520.661 6.778 5 40 KKBB CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@]2(S1)c1ccccc1C(c1ccc(C(C)(C)C)cc1)=NN2c1ccccc1 101406729 JIRKDNAFBODYCH-XIFFEERXSA-N 575.694 7.431 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 101673243 HJDDQLIAYWPZHU-GGKJBDKJSA-N 571.589 5.585 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 101920794 COLUWPJXXXGWMH-UHFFFAOYSA-N 563.035 6.139 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 102748476 VFDJNELIPCLBFQ-GVAUOCQISA-N 550.354 6.213 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 103551430 LRNYNWZTGLBQKI-OVDFTCDZSA-N 582.037 6.166 5 40 KKBB O=[N+]([O-])c1ccc2nc(Sc3nnc(COc4ccc(C5CCCCC5)cc4)n3-c3ccccc3)sc2c1 103774160 FFAIXMYVMNLQGZ-UHFFFAOYSA-N 543.674 7.563 5 40 KKBB O=c1c2ccc(C3=NN(c4ccc([N+](=O)[O-])cc4)[C@@H](c4cccc([N+](=O)[O-])c4)C3)c3cccc(c32)c2nc3ccccc3n12 104663212 YICOUYZSTGXOOL-SSEXGKCCSA-N 580.560 6.764 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c2=O)=N1 104676663 JMRHKQXBDCEYRO-UNDLXJOSSA-N 599.709 6.179 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1sc2cc(Cl)ccc2c1Cl 112237609 LDLQPUUCSFHTNJ-UHFFFAOYSA-N 563.410 5.972 5 40 KKBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3)n2)cc1 150399359 SHUAXXVAHWIUBN-UHFFFAOYSA-N 688.612 6.895 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 164540237 LTODSCGRYKWPBL-FUAQWRKOSA-N 677.735 5.440 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl 214407838 OCOVOYFNOIOBND-ZVBGSRNCSA-N 569.344 7.949 5 40 KKBB Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 224264258 YIAMRCGWUMVTQC-YTTGMZPUSA-N 642.778 5.653 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225647235 OUFMOGDTOGEKNJ-UUWRZZSWSA-N 737.275 6.326 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nnc2-c2cc(Br)ccc2O)c(C)c1 408544279 DSJHUWJVJXPLFM-UHFFFAOYSA-N 572.416 5.797 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408734620 ZVLXEOACVICAPM-DKOMQPSQSA-N 628.888 5.382 5 40 KKBB COc1cccc2c(/C=c3/sc4n(c3=O)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)c(-c3ccccc3)[nH]c12 408776369 ZLZKPGPUQHTYJD-NWNCVJAISA-N 610.695 6.384 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408831270 PBVUAUPSTXAQFX-FUFNRSNVSA-N 587.654 5.062 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c2=O)=N1 409046519 KLAJDWREJLUVCS-CRCYZHLCSA-N 686.968 6.171 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@H]1c1ccccc1OC 409105359 MZTDMSJIJZPDSS-XTDWUIBVSA-N 723.855 7.145 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/C34c5ccccc5C(c5ccccc53)[C@@H]3C(=O)N(c5ccc(C)cc5)C(=O)[C@@H]34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409180851 WLTQIAZXIBEUBB-GDWOTSJQSA-N 750.833 5.526 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1/N=C(c2ccco2)OC1=O 409193317 IUVVDZOVDWYZEJ-OKSYWBHRSA-N 588.164 5.676 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc1Br 409324413 UCDXGWZYAOCJIA-RJRFIUFISA-N 543.208 5.448 5 40 KKBB O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1c1cccc([N+](=O)[O-])c1 3145621 VYBHFHDUCXXTNN-UHFFFAOYSA-N 583.812 5.445 5 40 KKBB COc1ccc(CCn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3Cc2cccc(Cl)c2)cc1 3211937 NDJHKULNYNQCHW-UHFFFAOYSA-N 509.997 5.556 5 40 KKBB Cc1ccc(-c2nc(SCC(=O)N(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3n2)cc1 12488004 BECWMSKNYAXVFD-UHFFFAOYSA-N 511.650 8.215 5 40 KKBB Cc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 97656559 GGXWDECWDSOBPD-JUJXNAJKSA-N 507.546 6.122 5 40 KKBB COc1ccccc1/C=C1/CCC[C@H]2C1=NN(C(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)[C@@H]2c1ccccc1OC 97983814 MOAXSUQGWYIMQZ-LTHOJCFISA-N 582.657 5.885 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccccc1Cl 100969962 YAJKIJZKIKFZMW-DHZHZOJOSA-N 529.721 5.722 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101671805 WIXOSKXCILXJHS-TVNXZVQQSA-N 576.008 6.230 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)C[C@H](C(C)(C)C)C2 104587695 XFUTULXEMAAZEY-GFPKEUDCSA-N 599.709 7.546 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(-c2nc3ccccc3o2)c1O 105310789 JKURGXRGMBIOKC-UHFFFAOYSA-N 531.594 5.534 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112244159 DSCCWFWNKGZXIP-UHFFFAOYSA-N 572.430 5.673 5 40 KKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)o1 163213278 XBHFEUVZNMCXKU-ITNPZBTBSA-N 640.515 6.258 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nc4sc5c(c4c(=O)n3-c3ccccc3)CCCC5)cc2s1 164035437 SVHFKCPOHXVCCH-UHFFFAOYSA-N 701.877 7.876 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222873248 UWKQCAZBPQSVNR-MHZLTWQESA-N 588.557 6.547 5 40 KKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223803451 BMOHPWSHNKHVCV-MHZLTWQESA-N 601.125 5.167 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224158865 GQMJLZRSGJUAQS-QHCPKHFHSA-N 645.178 5.258 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224176225 CVQKQXSKEWYKLA-YTTGMZPUSA-N 707.249 6.315 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)cc1 224787738 DWXGDFGCVKLTFJ-FQLXRVMXSA-N 619.555 8.885 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225290481 YZJMWKQYGVBMED-NDEPHWFRSA-N 533.694 5.693 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccccc1Cl)[C@@]21C(=O)Nc2ccccc21 229923137 NWWPPZXHZYEGEJ-DCMQHHMNSA-N 590.035 6.494 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1 408570299 KVXGVPPFAIVKAO-HSZRJFAPSA-N 668.795 7.452 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)n1-c1ccccc1 408573124 SPEUCIFCACWZAT-QHCPKHFHSA-N 570.425 5.936 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 408623171 RBXVIPQEXQJZFB-KXANFNGZSA-N 637.091 7.437 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408685939 QLKOQEHXWMVXML-HCXPYDJZSA-N 598.442 6.351 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408765933 BXFXVQHPBZZLMW-XIHDXPBISA-N 694.560 5.065 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408833012 SPUGGEPBBGLPSP-IMUCPKNRSA-N 622.703 5.108 5 40 KKBB O=c1/c(=C\c2cc(Br)cc(Cl)c2O)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408841602 LYMFAECCAYBYKO-SEXPAEGTSA-N 594.874 5.348 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccccc1OC(=O)c1sc2cc(Br)ccc2c1Cl 408846027 QILRUJPATMQIPI-WOJGMQOQSA-N 583.803 6.789 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408975412 JUARXRAULHDROT-RISWYLRJSA-N 638.496 5.128 5 40 KKBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O 409014640 XSWPCUWGHVDCBR-PVGUKEHMSA-N 626.425 5.165 5 40 KKBB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 409036614 RZAHEKRTRCEOBP-IWIPYMOSSA-N 569.433 6.360 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409092817 ZIAKAONWXSJBON-LBLGWMPZSA-N 665.753 5.184 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409144654 YVZLSPHEEFTEGV-UPWSPCOFSA-N 680.208 5.707 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)N1CCc2ccccc2C1 409269463 BZXFODYAAYSRTN-WSDLNYQXSA-N 523.954 5.129 5 40 KKBB CCCOc1ccc(Cn2c3nc4ccccc4nc3c3cc(Br)cc(Br)c32)cc1 2201254 NMFZIHXVVMRQDG-UHFFFAOYSA-N 525.244 7.100 5 40 KKBB CCCCN[C@@H](c1ccccc1)c1sc2nc(C)cc(COC)c2c1NC(=O)c1ccc([N+](=O)[O-])cc1 12420156 JGRPMBJROBKLTM-DEOSSOPVSA-N 518.639 6.391 5 40 KKBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 15906539 FOJYMTBFVIMQLD-BQUXJIQDSA-N 518.476 6.218 5 40 KKBB Cc1ccc(C2=Nc3ccccc3N3[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H](c4ccc([N+](=O)[O-])cc4)O[C@H]23)cc1 28294673 SMRKYZRESNBWSJ-YTCPBCGMSA-N 506.518 6.591 5 40 KKBB O=C(Oc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1)c1cccc2nc3ccccc3nc12 97984676 YKROMJJSYVYILP-UHFFFAOYSA-N 528.442 6.920 5 40 KKBB O=C(N[C@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 97995382 AXAJNPVHJRIIRB-XOKUBGGDSA-N 538.644 6.147 5 40 KKBB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 100528146 LWNUDGONUHHXRT-AREMUKBSSA-N 553.958 5.325 5 40 KKBB CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@@H]1C(c1ccccc1[N+](=O)[O-])[C@H]1C(=O)N(c2ccc(C)c(C)c2)N=C1C 102572643 OOAXLMYNIIUFQZ-NSOVKSMOSA-N 537.620 5.990 5 40 KKBB COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)sc2c1CC[C@H](C(C)(C)C)C2 102869538 KNSZFXQHZICIMJ-RRGUOAIQSA-N 589.670 5.645 5 40 KKBB Cc1ccc(C2=NN(C(=O)COC(=O)[C@H](C)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 103137235 ZPYUTFTYUANONS-AOMKIAJQSA-N 544.486 5.237 5 40 KKBB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3F)n2[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 103141835 PTBVLKBTEDEXGQ-JRBPQWBISA-N 555.632 5.641 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 103826876 YGRQZVSMISSWRB-PKYOQBLNSA-N 617.680 5.072 5 40 KKBB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306292 TVHONEWOLPKLSY-UHFFFAOYSA-N 552.012 5.328 5 40 KKBB O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 106016258 FHJDUXIIMCMZBY-OYUWMTPXSA-N 604.402 6.172 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 163639954 IUOPKDIWEFQVDQ-JBDWOJPXSA-N 726.811 6.848 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]23)cc1 169682340 YDBRFTUWPFMXJZ-QFMXGDCESA-N 697.143 7.454 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 208360641 NKUCWEOLTJURCA-YLKQWKBVSA-N 609.660 5.437 5 40 KKBB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 225318053 HKSPAVQIGRUGEX-LJAQVGFWSA-N 627.163 5.103 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 247315973 KAMVSGGANDFDTA-QPXUXIHVSA-N 567.907 5.540 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 248201768 WKIVEZKDGCBOBQ-DQGIEBHESA-N 597.671 6.649 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408564958 GUOFDSZWBGIMJQ-WQWSHVPRSA-N 516.356 5.233 5 40 KKBB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)c([N+](=O)[O-])c1 408727292 QZNJLKXVJFCVQI-ZSAJNUMDSA-N 632.672 6.792 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6Cl)o5)c(=O)n42)c2ccccc2CC3)cc1OC 408768411 ISHZUGGBGVNHBN-IVQFASICSA-N 626.090 6.158 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408939906 NIRZXWXPUJHHSJ-PKYOQBLNSA-N 692.588 5.835 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408941950 QZTOZHXBRSYMAL-SUAMDDGLSA-N 608.072 5.407 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)c2=O)=N1 409048241 VVBGETGCGMWUNL-UPWSPCOFSA-N 664.534 5.057 5 40 KKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)cc1 409053075 XBSZUBLZMWFDPW-QRVIBDJDSA-N 539.407 6.481 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2C1=O 409177479 BFPYKJNGRYOFDU-UHFFFAOYSA-N 553.483 5.761 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409179417 NCITZCXIRJLSFL-DYCDSJFESA-N 761.478 7.062 5 40 KKBB Oc1ccccc1-c1nnc2sc3c(Cl)c4nn5c(-c6ccccc6O)nnc5sc4c(Cl)c3nn12 1572436 NWIVVXCOKNYZAB-UHFFFAOYSA-N 553.416 5.606 5 40 KKBB CCCCc1ccc(-n2c(=O)cc3c4ccccc4c4cc(=O)n(-c5ccc(CCCC)cc5)c5ccc2c3c45)cc1 3144463 NMCFBCOLFMGNKK-UHFFFAOYSA-N 550.702 8.724 5 40 KKBB CCN(CC)CCC[C@H](C)Nc1cc(C)nc2c1ccc1c2ccc2c(N[C@@H](C)CCCN(CC)CC)cc(C)nc21 5663769 CKCJECFVTUNGND-UIOOFZCWSA-N 570.870 8.398 5 40 KKBB Cc1ccc(NC(=O)[C@H](OC(=O)c2c3c(nc4ccccc24)CCCCC3)c2ccccc2)c([N+](=O)[O-])c1 12660887 HAXZRUAUTNCPLT-MUUNZHRXSA-N 509.562 6.257 5 40 KKBB O=[N+]([O-])c1ccc(/C=C2\CCC[C@@H]3C2=NN(c2nc(-c4ccc(-c5ccccc5)cc4)cs2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 96022667 NRERLGVASAWBHW-HICDAEIYSA-N 613.699 9.095 5 40 KKBB CCCc1ccc(C(=O)N(c2ccccc2)[C@@H]2C[C@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 97940044 HXMKCUJHWXRGRT-GTYOFVGBSA-N 533.628 7.374 5 40 KKBB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccc6c(c5)CCC6)cc([N+](=O)[O-])c4)c(Cl)c3N2)cc1OC 97999613 WFXYOFDUQQANJC-OZXSUGGESA-N 658.033 7.656 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 100351073 VFJLJBOCJOOJNC-UHFFFAOYSA-N 586.644 8.690 5 40 KKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1)N1CCc2ccccc21 101140472 VMQDIMDUZIIWIO-UHFFFAOYSA-N 522.533 5.730 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 101514064 NOYOEFCLXORAPK-JMNGKNCGSA-N 597.671 6.649 5 40 KKBB CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccc(OC)c(OC)c1 102875248 DSCIVNJGQHNIGS-PVAZPRTOSA-N 569.658 7.742 5 40 KKBB O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 104659042 IWHWYDWQIHJZEI-NNAGEYCMSA-N 531.593 5.487 5 40 KKBB COc1ccc(C(=O)Nc2cc3c(cc2[P@](=O)(Nc2ccccc2[N+](=O)[O-])N2CCOCC2)C(C)(C)[C@H](C)N3C)cc1OC 110551545 ZRBSCHOKDSRFGB-SMJAMRJYSA-N 623.647 5.243 5 40 KKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112244852 QTMVBLCSXXXJTC-UHFFFAOYSA-N 575.647 5.498 5 40 KKBB CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 138975958 NJYYXJIPPJMVAS-UHFFFAOYSA-N 533.581 5.975 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150395738 OGGDEJUTUNNCBC-JESJEVRBSA-N 665.724 5.738 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC(=O)C12CC3CC(CC(C3)C1)C2 150463330 BKMHCOBAYHICSF-MYKKPKGFSA-N 627.513 6.724 5 40 KKBB COc1ccc(-n2ccc3c2nc(-c2ccc(Cl)cc2)n2c4ccccc4nc32)c(OC(=O)c2ccc(Cl)cc2)c1-c1ccccc1 150474688 ZGAWJVKDYZXKFL-UHFFFAOYSA-N 655.541 9.695 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1 163551004 BJWSDBPNTRDAJX-FUZBLHKMSA-N 699.716 6.355 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc(Cl)cn3)cc2)cc1 224784763 JMFHUYZESSVXFD-VSGBNLITSA-N 585.114 7.157 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 225640016 XGPDMGUNLKPOGQ-IZLXSDGUSA-N 541.633 5.868 5 40 KKBB Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 260925161 NSEMHQUHMIWROQ-PGUFJCEWSA-N 668.816 6.188 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408631326 DHPRRSGNFZLDIO-UCQKPKSFSA-N 536.566 5.677 5 40 KKBB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C(=O)O)cc3s2)cc1Cl 408750365 LVDCEVPZVHAPPH-UHFFFAOYSA-N 557.009 5.848 5 40 KKBB O=c1/c(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408757325 MAMUBVLRBFSAMO-ISZRBDKASA-N 650.554 6.568 5 40 KKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)o1 408838441 WFIAEASHNRNJSJ-UQDCTOEPSA-N 567.648 5.557 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c1 408930852 CVYXZQCHVWQMFM-UUYOSTAYSA-N 534.506 5.279 5 40 KKBB O=C1N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1Cc1ccccc1F 409071853 LTOHWUYMDRYSFJ-CIAFOILYSA-N 526.318 5.168 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409149748 PJWIYYXZDHLHNG-JLHDDXNDSA-N 657.818 6.168 5 40 KKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 409183159 QIEIMWMRZVRXSC-UHFFFAOYSA-N 563.349 6.852 5 40 KKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O 409379679 ZMLWVUSUOGMFAF-NHCUHLMSSA-N 644.433 5.115 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 832730 LGNQBHJUSAEBFH-QYVRTBTHSA-N 558.546 5.031 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)c3cnn4c3N[C@@H](c3cccs3)C[C@@H]4C(F)(F)F)cc([N+](=O)[O-])c2)cc1 1867699 AEIBMPISDLXFEC-FYYLOGMGSA-N 573.553 6.956 5 40 KKBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2246051 GDHHRTFYPWDOFF-UHFFFAOYSA-N 520.807 6.601 5 40 KKBB C[C@@H](Nc1cc(N2CCN(C(=O)c3ccccc3F)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 8443047 XQIAOKSHUYHPTO-HWWKNPRSSA-N 506.622 5.713 5 40 KKBB Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 13525754 GGXWDECWDSOBPD-MXTRNAPSSA-N 507.546 6.122 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)nc2c1 22822670 WHDRHYKDHYUDLK-OEXZBZRSSA-N 500.580 6.443 5 40 KKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 22826683 CJRPHDRUWZKYHJ-UHFFFAOYSA-N 503.338 5.934 5 40 KKBB Cc1ccc(S(=O)(=O)N(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 59608882 DSCYPGWRKWXBHJ-UHFFFAOYSA-N 550.614 5.027 5 40 KKBB O=[N+]([O-])c1ccc(C2=Nc3ccc(Br)cc3C(c3ccc([N+](=O)[O-])cc3)=Nc3ccc(Br)cc32)cc1 97971411 ZXLMYPPQUNHJLI-UHFFFAOYSA-N 606.230 7.680 5 40 KKBB O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)nc2)cc1)c1ccccc1[N+](=O)[O-] 100552934 IZNGXLSTYYJAJW-UHFFFAOYSA-N 560.526 6.132 5 40 KKBB COc1ccc(C2=NN(c3nc(-c4ccccc4)c4cc(Br)ccc4n3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 100813444 RCVAQTQIYZEEEK-MUUNZHRXSA-N 580.442 7.332 5 40 KKBB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c(Cl)cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 101027775 SQDPRAYVBCWKGM-UHFFFAOYSA-N 527.986 5.786 5 40 KKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 102710028 ACWZLUCEXNVHEH-GVAUOCQISA-N 531.977 6.028 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1 105498334 FDLKFUQSDVEEMG-ZSJKCPIUSA-N 621.027 5.060 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc(OC)c1 111469920 IFTAHEZWDSHDPX-POKSHJSXSA-N 621.671 5.421 5 40 KKBB CC(C)(C)OC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NSc1ccccc1[N+](=O)[O-] 150383092 ZQGXUHFEYQBNHR-ZPGRZCPFSA-N 776.981 7.471 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 163709646 VKYVFZOFCOFQBH-VPHSIRQSSA-N 631.732 5.016 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1 164200534 XOHSAJAMDOOTGJ-QQMBNGEASA-N 722.614 5.845 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(I)cc1 205760766 GHGNJMFRELPPJM-VXLYETTFSA-N 566.760 6.349 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224201402 PGFLMTJTQROROY-SANMLTNESA-N 540.085 5.648 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224780383 JAKKZUKGOVPKGE-XIFFEERXSA-N 707.249 6.234 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 224784010 BGJACDMPWHVNQJ-VMPREFPWSA-N 594.678 7.017 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225482100 ZDCALYGTOUIHFT-GDLZYMKVSA-N 614.595 7.224 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225725480 FVUYATOVOSXAJO-AOMKIAJQSA-N 526.486 5.857 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260895107 SJUQFAKPAUJFEZ-MGBGTMOVSA-N 707.249 6.234 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 408571558 OZQFBURGAXLNCL-VWLOTQADSA-N 557.047 6.683 5 40 KKBB O=[N+]([O-])c1ccc(NCc2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 408609897 PIJZBNWGDQLSGI-UHFFFAOYSA-N 571.063 7.073 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 408638040 BOJITOKUFAGGSA-ZEQRLZLVSA-N 636.444 5.702 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409048813 PCYBOPDCXRUNMR-QEEORQGDSA-N 801.068 5.652 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409149143 XZSJLYUSKGHAIF-LPYMAVHISA-N 561.454 6.562 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1Cl 409167978 KMNYGIFJJYVUNS-FOKLQQMPSA-N 626.987 5.800 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C 409172398 HEVGYRFCLPLVBA-JJFYIABZSA-N 525.970 6.108 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(CSc2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409181449 ANVULLZVWRDLIU-UHFFFAOYSA-N 612.129 6.692 5 40 KKBB O=C1S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1ccc(Cl)cc1 409193761 MECIPHXXYBDBGR-RGVLZGJSSA-N 718.694 7.277 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 409269547 KDYLYYMNOXTILM-UHFFFAOYSA-N 527.908 5.409 5 40 KKBB O=C(Oc1cccc2c(OC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cccc12)c1ccc(Br)c([N+](=O)[O-])c1 4017320 KPIOAWNIBPCJNM-UHFFFAOYSA-N 616.174 6.620 5 40 KKBB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-] 8686882 JPTIVFVHGKPGPT-GOSISDBHSA-N 533.562 5.041 5 40 KKBB COc1ccc2[nH]c(=O)c(-c3c4oc5cc(O)ccc5c4nc4c3c(=O)[nH]n4C3CCCCCC3)cc2c1 79490716 ROERZOCEWVNRPM-UHFFFAOYSA-N 510.550 5.742 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@@H]2[C@@H]1c1ccc(Br)cc1 97983852 ZOESZJOOIKSZAE-AGOSLVPCSA-N 680.397 7.393 5 40 KKBB C[C@H](Nc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 100328065 ZZIOMTWLAMOBJV-ZBBKGZSWSA-N 542.677 5.262 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1Cl 100980161 YXDOBGOVOYZOFW-KPKJPENVSA-N 529.721 5.722 5 40 KKBB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307834 KYYLMNMYSRSYQV-UHFFFAOYSA-N 536.013 6.092 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 109038656 WSTBKRNXKZONTE-ZGOFBEGVSA-N 557.628 5.090 5 40 KKBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1 109569360 MUZZJZAUALQRJR-UHFFFAOYSA-N 528.546 6.189 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163625214 STEGEYYNQPWXQZ-MFUBYVTQSA-N 740.913 6.383 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223841283 LUUYSABRLCZAJN-SIBVEZHUSA-N 588.488 5.844 5 40 KKBB COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 224068761 FUCOIVOMQQCBIY-UIOOFZCWSA-N 551.024 6.106 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC 225203369 ZKEKBDYGOSCLJS-SXOMAYOGSA-N 543.605 5.784 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 225428478 KVVGRKWQARFRTR-LJAQVGFWSA-N 701.640 5.221 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260866458 JKZCCVAOJUQBQC-JGCGQSQUSA-N 711.212 6.064 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccc(Cl)cc1 408565253 BLLKJQCXKDQEJA-HSZRJFAPSA-N 533.412 6.711 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408646263 IMOACOJOBZEGFB-MFTWVQLTSA-N 746.559 7.253 5 40 KKBB Cc1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1[N+](=O)[O-] 408691423 ZUZLRKPVLXJCEZ-CYBMUJFWSA-N 591.231 5.709 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408729007 BQDZCDWOWGLDAC-OIUASMPBSA-N 730.593 6.317 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408884228 XHQNPFBZLSJYGK-MYKKPKGFSA-N 680.455 7.029 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4F)c(I)c3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 409079420 FTPZZULEQJLTSL-KEQCBNTKSA-N 825.394 5.634 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 409095663 IEYMZGGRGZYOAJ-NBQDTTAVSA-N 640.165 5.668 5 40 KKBB Cc1sc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)nc1-c1ccccc1 409150848 FBXQMUSLRXSXJV-HXUWFJFHSA-N 551.654 5.003 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)ccc1Cl 409154382 NXDBNSYUCYAMBB-WSDLNYQXSA-N 604.424 6.403 5 40 KKBB CCCOc1ccc(Cl)cc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21 409155882 DUIIMSNSQFYWBR-FQKMCRJQSA-N 608.072 5.327 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl 409156538 ORDKEKHEPQCBPH-ZMFRSBBQSA-N 704.135 5.575 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409182095 IBTHBEYUSNKCSM-PLMBTIQCSA-N 610.667 5.157 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 409190751 QLYQTGIMPNVGOQ-DJPQNNMESA-N 801.759 7.809 5 40 KKBB COc1ccc(Cl)cc1C1=N/C(=C\c2cc(Br)ccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C(=O)O1 409193198 FCXPYSLEKSTWMA-CGXYXDBZSA-N 583.778 5.983 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 409276231 ZBOZRVPTKFJYLW-DHRITJCHSA-N 587.437 6.799 5 40 KKBB CC1CCN(C(=S)c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)CC1 409368135 TXGDXBQIIQBKKV-UHFFFAOYSA-N 528.266 6.106 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)o1 409384955 HCVPUZZVUGEANY-KEBDBYFISA-N 652.273 6.315 5 40 KKBB CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C 504276152 NZCRJKRKKOLAOJ-KKUGOJSVSA-N 785.891 6.158 5 40 KKBB O=[N+]([O-])c1ccc(C(F)(F)F)cc1Sc1nnc(-c2cccc(Br)c2)n1-c1ccccc1 3094664 UZNJWXCZWGIALV-UHFFFAOYSA-N 521.318 6.775 5 40 KKBB Cc1cc(Br)c(OCc2ccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(Br)c1 3272277 RCOPSMUFPHGNHP-UHFFFAOYSA-N 563.198 6.047 5 40 KKBB CCc1nc2c(c(=O)n1CCCOC)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 6150722 DYDKSVLOMXPXSD-UHFFFAOYSA-N 505.578 5.675 5 40 KKBB O=C(CSc1nnc(-c2ccccc2Br)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 6474830 SKLMDFAVJUDFMM-UHFFFAOYSA-N 510.373 5.336 5 40 KKBB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 19856598 TWRZYAGFGSNSFB-UHFFFAOYSA-N 515.591 5.859 5 40 KKBB CC1(C)C[C@@](C)(c2ccccc2)c2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2N1Cc1ccc([N+](=O)[O-])cc1 97999863 XTGLJHKCRXCRNQ-QLKFWGTOSA-N 628.816 10.472 5 40 KKBB COc1ccc(-c2cc(-c3ccc(C)cc3)c3c(N)c(C(=O)Nc4ccc([N+](=O)[O-])cc4Br)sc3n2)cc1 98048707 ABJGXQDSCZJVIR-UHFFFAOYSA-N 589.471 7.453 5 40 KKBB Cc1ccc(S(=O)(=O)N2C/C(=C\c3ccc(Br)cc3)c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 100157258 LFOYCWSVGHYJCC-MHWRWJLKSA-N 530.356 5.323 5 40 KKBB O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2)c1ccc(Cl)c([N+](=O)[O-])c1 101017343 DYKTXDVXONKTDM-HXUWFJFHSA-N 507.337 5.801 5 40 KKBB CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3Cl)nc2c1 105304592 YYTCNIUVUUJUPJ-UHFFFAOYSA-N 561.019 7.567 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 106736786 BIRGUPGZNYMKIK-AQHIEDMUSA-N 603.834 6.555 5 40 KKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 112233576 VJSGIIBYYDBLTI-XBXARRHUSA-N 519.391 6.298 5 40 KKBB CC[C@@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 138383100 DYGSLDJMGUBSDS-FBRPBUCPSA-N 506.558 5.701 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc(Cl)cc1 163764395 ZAZQHDKEWLRPJM-GEYGMGCISA-N 636.129 6.468 5 40 KKBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCc3cc(F)cc4c3O[C@@H](c3ccccc3)OC4)cc2[N+](=O)[O-])C1 195529885 FYYVHDDLHRDNTP-GWZHAIQQSA-N 520.557 6.181 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223438948 MVAAUTYWSRRLLU-ZORMNXRFSA-N 642.778 5.653 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224291257 HTCYTZZPHHYOKW-MUUNZHRXSA-N 613.136 5.310 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccnc3)cc2)cc1 224762198 SJPGECIBOJDVIU-IZLXSDGUSA-N 550.669 6.504 5 40 KKBB Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224780910 LOSXTAFNOOXJED-KYJUHHDHSA-N 563.708 7.417 5 40 KKBB O=C(c1ccccc1Cl)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 247309987 IBCZGCCENCMFBC-YGGCMVMVSA-N 576.008 6.104 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260801898 QQQFQXGVFRORRG-OAQYLSRUSA-N 677.607 5.890 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 261083335 RQFLGQRSUAHFRP-DCFHFQCYSA-N 635.570 5.222 5 40 KKBB COc1cc(CNc2cccc(C(=O)O)c2)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408612627 TUHQINOADJKNIF-UHFFFAOYSA-N 588.276 6.329 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735501 SZSWIMVIQJRCLX-PKYOQBLNSA-N 617.680 5.072 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408850671 QPMUBAXZZFLBFT-QUNTYYFUSA-N 753.584 5.965 5 40 KKBB O=C(O)c1ccc(COc2ccc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2I)cc1 408916986 KAYFICWLUOFWIJ-WSDLNYQXSA-N 616.389 5.713 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408992317 AACSXLHISYTNJH-SWBDNCPRSA-N 673.747 6.186 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408999573 LSGZSKYPJIGRRO-OTHIGLTOSA-N 817.556 8.071 5 40 KKBB O=C(COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)NC1CCCCC1 409123399 GDDBCBHBEFQEFN-DHUJRADRSA-N 604.707 6.784 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 409159715 WMYCXGXXFMTYQD-RGVLZGJSSA-N 511.943 5.800 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n21 409190151 LNXPAWKAOZLLAM-UWRMONIRSA-N 816.543 7.109 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)ccc1Cl 409197344 CFADLFKHPNCVSR-NHDPSOOVSA-N 582.978 5.287 5 40 KKBB CCOC(=O)c1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)c(C)nc32)c1 2251934 ACJSGDRWJWIIBG-UHFFFAOYSA-N 503.562 5.125 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Br)cc(/C=C2/SC(=S)N=C2O)cc1Br 4180190 OUVZCIZONYYGBQ-WLRTZDKTSA-N 584.189 7.260 5 40 KKBB Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5[C@H]6CC[C@H](C6)[C@@H]5C4=O)cc3)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 100396396 HXKISKSQFYIMGI-PPBFFVFISA-N 589.604 5.694 5 40 KKBB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101670383 CZIWASWPOFICDG-TVNXZVQQSA-N 576.008 6.230 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 103053644 SHLZXOGPXDKJEI-UHFFFAOYSA-N 533.528 5.097 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)c1ccc(-c2ccccc2)cc1 103777234 KDZGRSRTXFQLDG-UHFFFAOYSA-N 551.605 6.647 5 40 KKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl 105251069 RQPBTEOCLIDHMJ-UHFFFAOYSA-N 559.277 7.388 5 40 KKBB COc1c(Br)cc(Br)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 107890470 KGYCYZFZOVOZBZ-UHFFFAOYSA-N 582.293 5.081 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 150649445 ALQYNJMXOUJUNP-KXANFNGZSA-N 671.536 8.091 5 40 KKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 206442423 TZLUHEMNFHXUGO-NLRVBDNBSA-N 517.538 5.714 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214854771 JIAFDXAJZBXWLV-AFUMVMLFSA-N 557.540 6.694 5 40 KKBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222703107 FPCZECKYLCBCJZ-GDLZYMKVSA-N 655.560 5.483 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223496002 YCGYYNIHBFQFTB-ZOYWYXQUSA-N 663.196 5.998 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224225412 ZPJQIXOTLZUOCA-NRFANRHFSA-N 665.596 5.603 5 40 KKBB Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1Cl 224789705 CCNKZDHHJSLUQV-KYJUHHDHSA-N 599.137 8.540 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225046773 BYOMONZPZGKDBW-XIFFEERXSA-N 727.667 6.579 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225745153 RQYIFKSFUHDRIB-FOIQADDNSA-N 526.417 5.011 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 260904180 IHJPGIJZEOOKOK-WJOKGBTCSA-N 620.772 5.067 5 40 KKBB CN1C[C@H](c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408564917 GLAVBDWTEHOVSO-HGMMTPDKSA-N 516.356 5.233 5 40 KKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)Nc1cccc(C)c1 408611427 SCHOUKDMRJKPFQ-UHFFFAOYSA-N 561.376 5.536 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1cccc([N+](=O)[O-])c1 408640808 IVFZSUJLKSXOMQ-UHFFFAOYSA-N 612.165 5.653 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408686923 SRHXWWKASDSZDD-ZYNNUQKQSA-N 692.981 6.906 5 40 KKBB CC(C)(C)c1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409120292 WFHZVQJCJVXVCJ-PMERELPUSA-N 505.618 7.254 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409131620 YMRRJNDSPQQYBF-LPYMAVHISA-N 517.003 6.452 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)ccc1Cl 409152746 JWGJHRKDPJXLBX-WSDLNYQXSA-N 569.979 5.668 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1C 409171228 YVKQMYZFKSKDBP-FSJBWODESA-N 505.552 5.763 5 40 KKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)c1 409181676 FYDXFGYLJOJPGE-UHFFFAOYSA-N 528.904 6.198 5 40 KKBB Cc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 409189240 NNTHQJOAXMAAHA-VUPMOJOHSA-N 533.334 5.629 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1ccc(OC)cc1OC 409192928 HFEUAKSPAXFRSM-UAMLYEQYSA-N 747.255 5.807 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409220679 DEVLKIAPUVVUOI-FSJBWODESA-N 566.408 5.736 5 40 KKBB COc1cc(C=O)ccc1OCc1cccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)c1 409261503 CNIVCXDYYSMVFA-KYHGBAKBSA-N 640.670 6.819 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)cc1Cl 409273891 MPZJHGCGJOWUSV-FMCGGJTJSA-N 570.048 6.391 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409371416 CIWRVFKUCSQIKS-MXAYSNPKSA-N 604.641 5.221 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O)N1CCc2ccccc2C1 409378353 OOGSGHLVSMSPGQ-UUYOSTAYSA-N 523.954 5.129 5 40 KKBB O=C(O)c1ccccc1-c1c2ccc(=O)c(I)c-2oc2c(I)c(O)ccc12 4404179 ZSRQKMRGZAXRSM-UHFFFAOYSA-N 584.103 5.178 5 40 KKBB in-vitro O=[N+]([O-])c1ccc(-c2nc(-c3cccc(-c4[nH]c(-c5ccc([N+](=O)[O-])cc5)nc4-c4ccccc4)c3)c(-c3ccccc3)[nH]2)cc1 8424745 OJYVHIDISULMHY-UHFFFAOYSA-N 604.626 8.951 5 40 KKBB CC1CCN(CCNc2cc3oc4cc(C(C)(C)C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)CC1 9375519 UWFMYMJQYSBKMP-UHFFFAOYSA-N 509.650 6.382 5 40 KKBB O=C(c1ccc(F)cc1)N1[C@H](c2ccccc2)COC12CCN(c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])CC2 12959740 WZHBYQQFFHSMCG-QHCPKHFHSA-N 574.487 5.871 5 40 KKBB Cc1nn(-c2ccccc2Cl)c2c1C(c1ccc([N+](=O)[O-])cc1)c1c(C)nn(-c3ccccc3Cl)c1O2 97982467 IQZCQVBGOSILNP-UHFFFAOYSA-N 532.387 7.176 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(C5CCN(S(=O)(=O)c6ccc(Cl)cc6)CC5)nc34)c12 98046178 DBRPJOFWBMYSBO-UHFFFAOYSA-N 549.028 5.355 5 40 KKBB CC1=CC(C)(C)N(C(=O)COc2ccccc2[N+](=O)[O-])c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 100113159 FLIRCDQGJNQJMY-UHFFFAOYSA-N 594.711 8.585 5 40 KKBB O=[N+]([O-])c1ccc2c(c1)N=C1O[C@@H](c3ccc([C@@H]4OC5=Nc6cc([N+](=O)[O-])ccc6NC5=C4O)cc3)C(O)=C1N2 100134558 IBFSQXGZNDUXCP-ZEQRLZLVSA-N 540.448 5.496 5 40 KKBB in-vitro COc1ccc(OC)c([C@@H]2C3=C(N=c4s/c(=C/c5c6ccccc6cc6ccccc56)c(=O)n42)c2ccccc2CC3)c1 100957029 CCSDKWCQISKQRV-LXKZMGPHSA-N 580.709 6.642 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1ccc(Br)cc1 101086413 WOYOUZNQQUILGE-LFYBBSHMSA-N 574.172 5.831 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)c1 101672277 AFMJNMFGJOBXNT-GGKJBDKJSA-N 571.589 5.585 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2Cl)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 103524230 GYBZXUJTJFNGAH-DZDVJMQSSA-N 610.453 6.883 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc(Cl)cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 103552842 UTSKPBSVUGXZSY-CDACFMRSSA-N 590.035 6.494 5 40 KKBB C[C@H]1N(C)c2cc(NC(=O)c3cccs3)c([P@](=O)(Nc3ccc([N+](=O)[O-])cc3)N3CCOCC3)cc2C1(C)C 103957146 DPRUJUNHAFZBDE-ITUROAMUSA-N 569.624 5.287 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccccc1I 106739502 OGNQGQRBXLJJAZ-XKZIYDEJSA-N 616.389 5.664 5 40 KKBB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccc(Cl)c(Cl)c2)c(C)c1 112253711 BTBQSJIZNBBXES-UHFFFAOYSA-N 536.437 5.656 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 163667006 FFNKDRUFSCOFDF-QUNTYYFUSA-N 694.560 5.065 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 215140081 CWUQEQRKZIPCFG-NUGSKGIGSA-N 607.841 6.974 5 40 KKBB COc1ccc(C[C@@H]2C[N@+](C)(CCC(=O)OCCCCCOC(=O)CC[N@+]3(C)CCc4cc(OC)c(OC)cc4[C@@H]3Cc3ccc(OC)c(OC)c3)Cc3cc(OC)c(OC)cc32)cc1OC 252286804 KVURKGMRRKDFPC-WJTHZNQMSA-N 929.161 8.066 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 261029406 JDZHFVHOCBKRQK-UKJJDJLKSA-N 663.196 5.998 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408564826 FYKRIOHMDMBBFZ-BJBOMGFNSA-N 513.594 5.027 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408649441 YESGWLFOXJDYDD-ZKSIBHASSA-N 778.643 7.727 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408683628 LTZUKXZDXMNYGH-UHFFFAOYSA-N 584.155 5.970 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c1 408768601 HOXIMUWLHRYZGP-FVUNBJOLSA-N 741.620 6.141 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408770007 RTIZOTUKEWTDEG-CRVZZPNQSA-N 724.586 5.074 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc([C@H]4N[C@@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 408992466 SAVHFTUBLZVTSD-VGSWGCGISA-N 573.077 6.050 5 40 KKBB CCOc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)N(C)C2=S)cc1 409039244 QZGHTFPKRWSSFE-QQXSKIMKSA-N 512.591 5.601 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409090462 QTKIJFLJWQBISW-SLZKQOKCSA-N 650.757 6.050 5 40 KKBB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n[nH]1 409157877 WPIKYEKJWASUKY-FQEVSTJZSA-N 606.517 6.001 5 40 KKBB CCOc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409256823 NQKPJLGVMWTELR-UHFFFAOYSA-N 508.512 5.950 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409273025 UWROTVPMCWFUOT-UHFFFAOYSA-N 598.102 6.550 5 40 KKBB CC(C)[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 409352183 ZDUICQYESNELIX-LJQANCHMSA-N 571.874 5.541 5 40 KKBB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 2298041 XMBMNMRVSQXGRG-UHFFFAOYSA-N 538.943 7.295 5 40 KKBB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 2775441 JUVYZHNDHDJZQY-UHFFFAOYSA-N 530.920 6.333 5 40 KKBB CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 6600702 SGHQSAMMOFLAGK-URFUVCHWSA-N 598.247 5.403 5 40 KKBB C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 12530258 YLOHQTJDGIKJLZ-GFCCVEGCSA-N 504.515 6.405 5 40 KKBB C[C@H](CCc1ccccc1)NC(=O)CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5 53337933 JKNVZNKSHVHYKG-LJQANCHMSA-N 564.740 6.273 5 40 KKBB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59331503 OPWQPYNIVKIXHZ-UHFFFAOYSA-N 517.636 5.907 5 40 KKBB O=C(c1ccco1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 100883862 WCAMSUCLLGQXNT-KUYWTNKVSA-N 531.524 5.044 5 40 KKBB CC(C)(C)c1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc(C(C)(C)C)c1O 102745898 DIIJGUKJVOJOLH-RGSZASNESA-N 543.620 5.947 5 40 KKBB O=C(OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 103111127 UWSPTYVBRIHUMX-VWLOTQADSA-N 592.391 6.260 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=Cc4c(ccc5ccccc45)N3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 103918471 CORKNRFVHAWXMO-QOEIGGFQSA-N 529.552 5.329 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 104076870 YLFWWWSZUVYERX-CJRSTVEYSA-N 533.462 5.012 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OC 104656328 LUOSFHIVWCHSBW-IYVASWNSSA-N 604.482 5.007 5 40 KKBB CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)c5cccs5)CC4)cc3)cc2[N+](=O)[O-])CC1 105355318 HNJFIXIXBVSMBL-UHFFFAOYSA-N 533.654 5.107 5 40 KKBB Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 105576430 YHSHVZBUBPQOBW-UHFFFAOYSA-N 519.495 6.071 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc2)cc1[N+](=O)[O-] 106683374 SMVMNXQAIVAXMW-UUYOSTAYSA-N 544.994 5.561 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccc(F)cc1Cl 215163301 GDQHXNLDUHISNJ-ODCIPOBUSA-N 631.785 8.197 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)o1 224383786 BXIUFTSRRYPRBH-SVBPBHIXSA-N 514.607 6.559 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1 225058297 DSOKDTQVUNLSIG-KAYWLYCHSA-N 529.622 5.733 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1 225536047 BJFXLDACZSVUFZ-UIOOFZCWSA-N 513.579 5.251 5 40 KKBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225585295 JBBHJHZFOJTOKY-HKBQPEDESA-N 679.195 5.455 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260992340 QDZYLVYBNSEIMS-SFTDATJTSA-N 649.141 5.232 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408567193 QFSSJCVREVNINJ-ZVFGGPEJSA-N 647.353 6.788 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408648637 JYWHRJPDNXZACS-HDDXADFGSA-N 606.418 5.741 5 40 KKBB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)Nc4nnc(-c5ccc([N+](=O)[O-])cc5)s4)cc3)sc2c1 408710459 IMYGOJNFQIEQPH-UHFFFAOYSA-N 550.021 6.794 5 40 KKBB Cc1nn(-c2ccccc2)c(O)c1C(c1c(C)nn(-c2ccccc2)c1O)[C@@H]1C=CC=C(OC(=O)c2ccc([N+](=O)[O-])cc2)C1 408737382 NMBWZBNULBTCGG-XMMPIXPASA-N 603.635 6.443 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408843250 SFJVVQWUTHRAFQ-QCHPHUCNSA-N 633.988 5.171 5 40 KKBB Cc1cc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])cc1C 408917816 BNIBNCCAKMXECP-PJYWLYPCSA-N 582.248 5.621 5 40 KKBB Cc1cc(Br)c(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc(O)c2)C3=O)cc1C 409001209 VLPILIATVZDRCG-UHFFFAOYSA-N 532.350 6.377 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1cccc(Br)c1 409166693 FUXLUOKHILZQLN-VXLYETTFSA-N 519.760 6.507 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)ccc1Cl 409166995 HHUVWKZEAQOTMT-FMCGGJTJSA-N 632.503 6.905 5 40 KKBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 409181756 DHQZMMIPZMGIGG-UHFFFAOYSA-N 675.141 5.209 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc(Cl)cc3)cc2C1=O 409182295 KGIQBRTZDYUDOY-HHHXNRCGSA-N 554.942 6.138 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409190203 MOSJCLQNXZCRRI-UAMLYEQYSA-N 747.255 5.807 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409192576 CJZAJZQZIDZRMB-NULZLWRNSA-N 796.125 6.561 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)cc1 409231995 GPUYKHPIXWZOMH-DNTJNYDQSA-N 548.360 5.845 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409251530 PKJRJQUDLOWWEY-OYKKKHCWSA-N 533.562 5.166 5 40 KKBB CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c([N+](=O)[O-])c1 6600699 SGHQSAMMOFLAGK-PJYWLYPCSA-N 598.247 5.403 5 40 KKBB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 8835361 SDBOXSQMBYGPKL-UHFFFAOYSA-N 515.595 5.747 5 40 KKBB O=[N+]([O-])c1cccc(/C=C2\CCC[C@H]3C2=NN(c2nc(-c4ccc(Br)cc4)cs2)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 96022665 OLXHDERNBBFXMA-XSHFWOSJSA-N 616.497 8.190 5 40 KKBB CCOc1ccc(Oc2cc(Oc3ccc(NC(=O)c4cc5n(n4)[C@H](C(F)(F)F)C[C@H](c4ccc(C)cc4)N5)cc3)cc([N+](=O)[O-])c2)cc1 97999535 BOUNPTJXZZACTC-BHYZAODMSA-N 673.648 8.996 5 40 KKBB Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)OCc3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)c1)C2=O 100390727 PUDXAVIBKADSCB-UHFFFAOYSA-N 593.979 7.055 5 40 KKBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccc(Br)o1 101088472 DFEDSMMRBWAIEY-KRWDZBQOSA-N 524.121 5.250 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101674127 QZCMMIUCUBLAPD-TVNXZVQQSA-N 576.008 6.230 5 40 KKBB O=C(O)CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccc(F)cc1 102884031 BPZSCUTZVAHZRY-SLQAJWMNSA-N 529.524 6.149 5 40 KKBB Cc1ccc([P@@](=Nc2ccc([N+](=O)[O-])cc2Br)(Oc2cccc(Br)c2)C(C)(C)C)o1 102936869 ISLMGHQNSOGQQR-SSEXGKCCSA-N 556.191 7.972 5 40 KKBB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 103067808 YSCYYRYIOWGLQE-NRFANRHFSA-N 542.539 5.361 5 40 KKBB Cc1cc(C)c(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc([N+](=O)[O-])cc2)CCC3)c(C)c1 103139103 PLSRWZNKOXGWDN-QJOMJCCJSA-N 535.600 6.741 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nc4ccccc4s3)cc2s1 103807380 AGYBLKMJBAXDPO-UHFFFAOYSA-N 554.700 6.846 5 40 KKBB O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 106020451 BWYFQTHFDLOHJB-JFHPUIQFSA-N 585.572 6.018 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 150396362 ZCNGZTLLSSVYSE-OTHIGLTOSA-N 647.753 6.844 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c2=O)=N1 150492694 PDDQINPLBQOQMW-UQDCTOEPSA-N 659.493 5.944 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 150607013 HQSJJFURKITBNC-JYNXQWRTSA-N 703.000 6.563 5 40 KKBB O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 163775312 UXOIIXUHLIHCFO-HWMKKPCCSA-N 645.480 6.702 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 214807337 GMBWUCHGMKQRSF-LSHDLFTRSA-N 576.370 6.847 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222803769 QJOJUJSTKMAASI-FQEVSTJZSA-N 665.596 5.746 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222970678 MBPDEYLJZOBUJN-XIFFEERXSA-N 776.139 7.480 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 224513485 FPTRKUTUUSPBMI-ZEQRLZLVSA-N 551.422 6.198 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225179884 UIXPJTDFMIZOLS-AREMUKBSSA-N 645.178 5.403 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)[C@H]1C(=O)N(c2ccc(C)cc2)N=C1C 248134374 YJYOGLFWUVHCQS-UQWUFBTJSA-N 525.565 5.079 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 248154984 LFXOAIZPQLAAIT-GGVMLGSCSA-N 555.590 5.885 5 40 KKBB Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2CNc2cccc([N+](=O)[O-])c2)c1 408555434 FYCXOZBULMMDCW-UHFFFAOYSA-N 549.219 6.058 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408651090 GKMCAUQPIUALOM-BDRLMTCPSA-N 627.480 5.843 5 40 KKBB CC(C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408659229 OXGMZSAKDLBBOR-WSBYISODSA-N 564.425 5.151 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408761733 BCGKCANACLJMHY-JESJEVRBSA-N 691.718 5.080 5 40 KKBB Cc1cc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C 408777671 FPGISJILAFWTSA-SELCLYCASA-N 604.644 6.012 5 40 KKBB COc1ccc(NCc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 409110149 SMCBQCIFVXSDDO-UHFFFAOYSA-N 520.323 5.408 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)n1 409179561 QEWZQXRHYDEEQY-LQJZCPKCSA-N 645.580 6.460 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409191173 UEVZITAGHIHVFK-FSJBWODESA-N 589.851 7.229 5 40 KKBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)C1=O 409197801 PEHBDRYGEDPCDA-CIAFOILYSA-N 545.526 5.074 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2ccc(Cl)c(Cl)c2)=Nc2ccccc21 1852796 MGGNQSSRAYCWBD-MUUNZHRXSA-N 594.462 8.191 5 40 KKBB Fc1ccc2c(c1)sc1ccc(F)cc1c1oc3c4cc(F)ccc4sc4cc(F)ccc4c3c21 2187499 SQEMWNWWDNTXBO-UHFFFAOYSA-N 504.529 10.003 5 40 KKBB O=C(COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCCc2ccccc21 2637801 ZTIABFYOFXBAJF-HXUWFJFHSA-N 530.524 6.115 5 40 KKBB COc1ccc(-c2nc3c4cc(I)ccc4c4ccc(I)cc4c3[nH]2)cc1 6240005 FPONBCMLRPTLBP-UHFFFAOYSA-N 576.175 6.754 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@]12C(c1ccc([N+](=O)[O-])cc1)[C@]21C(=O)N(c2ccc(C)cc2)N=C1C 8398354 COQYXQQDYVMWJJ-FQLXRVMXSA-N 507.550 5.127 5 40 KKBB O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 21576183 FASFGEYJJHAHEN-UHFFFAOYSA-N 504.930 5.209 5 40 KKBB CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2[N+](=O)[O-])C(=O)[C@@H]13 35851998 YGUPHSYJUKWQMM-NSAKTPIFSA-N 520.626 5.610 5 40 KKBB COc1cc(NC(=O)[C@@H](C)Oc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)cc(OC)c1 70708135 QMMLJPVZKHJOBC-MRXNPFEDSA-N 553.571 5.032 5 40 KKBB biogenic O=C(c1ccc([N+](=O)[O-])cc1)n1nc(NCc2cccc3ccccc23)nc1NCc1cccc2ccccc12 97995315 KROHCQOXFDVSGS-UHFFFAOYSA-N 528.572 6.405 5 40 KKBB O=C1CC(c2ccccc2)CC(=O)C1C(c1cccc([N+](=O)[O-])c1)C1C(=O)CC(c2ccccc2)CC1=O 100672082 HSBGHLFKMSAMLT-UHFFFAOYSA-N 509.558 5.342 5 40 KKBB O=c1c2ccccc2c(=O)c2c1c(NCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)cc1oc3ccccc3[nH]c12 102447408 VWSMOQLMZMRYGR-UHFFFAOYSA-N 584.598 6.194 5 40 KKBB CCc1cccc(CC)c1NC(=O)C1=C(NCc2ccco2)S[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=N 102671846 QZPSFDAXOOYUGQ-XMMPIXPASA-N 568.055 5.680 5 40 KKBB COc1ccccc1/C=C1\CCC[C@H]2C1=NN(C(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)[C@@H]2c1ccccc1OC 102928430 MOAXSUQGWYIMQZ-OBCNBPTMSA-N 582.657 5.885 5 40 KKBB O=C1S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1Cl 106700292 AVYLBPNCZBJTET-YVNNLAQVSA-N 594.270 7.480 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 150416529 PGBMRVNWWUOCNX-PIXWUVMMSA-N 669.634 5.535 5 40 KKBB Cn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(F)cc1 150507979 PVUKXAIUWBOVHI-XMMPIXPASA-N 652.506 5.025 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 163630571 GMDKXKGKDAXEKB-QUNTYYFUSA-N 694.560 5.065 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223375574 AAFULMBRNBGUPP-LXFBAYGMSA-N 533.694 5.691 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224174614 HRIINECKVPIOHP-XIFFEERXSA-N 693.222 5.927 5 40 KKBB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224322315 NVVTUZPVJCPQCA-FQEVSTJZSA-N 621.543 5.286 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225064339 TVPJZPJTTBBSQG-VWLOTQADSA-N 528.436 5.609 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 225228875 BMGPSWADNQLEHX-RRPNLBNLSA-N 559.604 5.020 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225367140 OVBAEEUPKOKLKZ-LJAQVGFWSA-N 685.243 6.059 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408565246 BLGRHTAYMXJMQU-DEOSSOPVSA-N 529.449 6.880 5 40 KKBB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1cccc([N+](=O)[O-])c1 408657546 NATGIUARENMPEW-GIUSKXMWSA-N 655.490 5.525 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccccc1 408678804 DDJSYJZASNBQDY-ZBWOKKAISA-N 652.101 5.282 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408679887 FMIRSNHHTCWUDQ-QYVZARNFSA-N 563.997 5.698 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 408987121 ALNIJFKHTSXAGB-ARLGEPFESA-N 694.769 5.086 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409082359 SDQOKGFYDATTAL-PBKKUYBVSA-N 686.512 5.275 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409087451 YSXHGCZZOMZBLA-QAWIOZNNSA-N 731.625 5.879 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409090997 SDHSWKOSEKBBBL-OXDPQRGISA-N 657.148 6.087 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409102628 ZDCSFNDLVIBUHG-DTDQMKFYSA-N 652.729 5.442 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 409148048 XWIIENVCLHAXKB-URFJJRPFSA-N 679.780 5.410 5 40 KKBB O=C1S/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409274725 XBNYJYOVESFQJX-SRZZPIQSSA-N 536.928 6.359 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1F 409275844 LXSKZVPUYJKSHL-AFUMVMLFSA-N 536.537 5.631 5 40 KKBB CCCC[C@H](CC)COc1c2sc3cc([Sn](C)(C)C)sc3c2c(OC[C@@H](CC)CCCC)c2sc3cc([Sn](C)(C)C)sc3c12 1776010999 OXHUOTZHJDVCGX-KWZGOLILSA-N 884.516 12.826 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 1865020 JNHIVNMJDZZHRS-UHFFFAOYSA-N 573.388 7.949 5 40 KKBB CC(C)[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 8449508 HROWTBLKVBYFHV-PXXGELSRSA-N 696.348 5.251 5 40 KKBB COc1cccc(Nc2c(C(=O)Nc3cc(OC)c(Cl)cc3OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 8809817 HJFXCSARUAUHCZ-UHFFFAOYSA-N 502.867 5.178 5 40 KKBB C[N+]1(C[C@@H](C[C@H](C[N+]2(C)CCCCCC2)C(=O)c2ccccc2)C(=O)c2ccccc2)CCCCCC1 8925981 JPLCTHCQAFDEAO-FIRIVFDPSA-N 504.759 6.416 5 40 KKBB COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 15304560 NLTOCRDDFPBDOJ-UDWIEESQSA-N 509.312 5.289 5 40 KKBB Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccccc4)c4ccccc4c3=O)c2)CC1 29491340 OEQSVVOJBUEBAH-UHFFFAOYSA-N 545.599 5.232 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 33355541 DDONAZSYZANWSZ-OINPTKSXSA-N 702.608 6.588 5 40 KKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(C)C[C@]3(c4ccccc4)N(c4ccc([N+](=O)[O-])cc4)N=C(C(=O)OCC)N3c3ccccc3N12 82185013 AZSNWJZCHJVPIN-MPQUPPDSSA-N 704.700 5.882 5 40 KKBB O=C(COc1ccc2ccccc2c1)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 97983843 XXUYTCZNLKJVAE-PAIRRJQHSA-N 562.582 6.858 5 40 KKBB Cc1ccc(S(=O)(=O)N2CC3=Cc4cc(C56CC7CC(CC(C7)C5)C6)ccc4Oc4cc([N+](=O)[O-])cc2c43)cc1 98007410 PPJNFWABBFQEIU-UHFFFAOYSA-N 554.668 7.226 5 40 KKBB COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1Br 100316153 FAWHREFRTHCMEL-UHFFFAOYSA-N 527.356 5.301 5 40 KKBB CCC1=CC=C(C2=NN(c3ccccc3)[C@@]3(SC(c4ccc([N+](=O)[O-])cc4)=NN3c3ccccc3)c3ccccc32)CC1 103768770 XCKPCQDTIVZQBZ-DHUJRADRSA-N 583.717 8.601 5 40 KKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1 105250868 HOHAYGCKXCAQRP-UHFFFAOYSA-N 555.256 6.453 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105317299 XWODXSKAMBUMNK-UHFFFAOYSA-N 607.136 5.328 5 40 KKBB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 109029527 HLULDJRTPAEREZ-UHFFFAOYSA-N 503.942 6.264 5 40 KKBB C=Cc1c(C)c2cc3nc(c(CC(=O)N[C@@H](CC(=O)O)C(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C 162590268 SIEXFRDYNDREBM-BRXYURPTSA-N 711.772 5.491 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 163225948 STPLZDQOHWIYHP-JAYSWQADSA-N 638.496 5.046 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C 197764166 KWANZYOCEDMWIM-XMMPIXPASA-N 593.735 5.804 5 40 KKBB O=C1S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1cccc2ccccc12 214846387 KUBLJDJMSJCMDC-DHRITJCHSA-N 629.410 8.558 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 215025071 GQLZUXAZYKJULQ-ZVHZXABRSA-N 535.534 5.717 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 215264203 BMKZZZPPUZEZLE-KEBDBYFISA-N 515.906 5.820 5 40 KKBB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222878355 ICLJBESJESXKNW-JGCGQSQUSA-N 697.641 6.509 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223804424 NAUIUZMDCZFBNJ-QHCPKHFHSA-N 657.189 5.545 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223893488 GPBZNPHQCCPITC-HXUWFJFHSA-N 526.417 5.013 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223967612 ZXPOJHPZPWJOEC-RBISFHTESA-N 549.693 5.391 5 40 KKBB C[C@@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)C1 224150235 MGMKJOBUQKZAJZ-AVRWMQKNSA-N 588.133 7.563 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225101271 GUWXVHGZMGSHTR-YTTGMZPUSA-N 762.112 7.232 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260966660 ICSMVGNVAXFJIS-MGBGTMOVSA-N 658.752 5.628 5 40 KKBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccc(C)cc1 408545286 XKFJUPOUYALTRU-CMDGGOBGSA-N 506.296 5.562 5 40 KKBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cccc1[N+](=O)[O-] 408592889 OZEFKTCSAWAJQW-UHFFFAOYSA-N 543.907 5.394 5 40 KKBB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc(C(=O)Nc4ccc(NC(=O)c5ccc(C)cc5)cc4)cc([N+](=O)[O-])c3)cc2)cc1 408673769 VBIUZHRDZMFVPC-UHFFFAOYSA-N 627.657 7.221 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733576 KTLLSDZGRLGNIK-VPHSIRQSSA-N 630.078 5.782 5 40 KKBB Cc1cccc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c1 408751094 WJXMZMOCDNPVKT-UHFFFAOYSA-N 504.549 5.044 5 40 KKBB O=c1/c(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408756850 UJCLSGWCALOKRZ-GONGWJOBSA-N 571.658 5.806 5 40 KKBB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 408781089 RKJAHTITXDNUAH-ORVZPOCUSA-N 584.492 6.497 5 40 KKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)S2)cc1 408781918 FQYXAIQRCDFQSC-AOLPSBPOSA-N 713.335 6.545 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1cccc2ccccc12 408871982 IQZNQWZIBWKAJD-USDTVRPUSA-N 595.633 5.128 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916687 GEWBWFUTJUGPFI-WSDLNYQXSA-N 559.825 6.826 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408972951 IGWSYYYNOXMMHO-DQARITGZSA-N 695.493 6.442 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCCCC5)o2)c(Br)c1 408987534 FPIFLTCFHUVSCS-UHFFFAOYSA-N 500.374 6.654 5 40 KKBB COc1cc([C@@H]2NC(SCc3ccc([N+](=O)[O-])cc3)=NC(C)=C2C(=O)Nc2ccccc2)ccc1C 408993600 WRGHCWIFVFAKPQ-VWLOTQADSA-N 502.596 5.758 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409097998 IBRLJLBZLIGEKO-PSAPEEBNSA-N 657.148 6.087 5 40 KKBB Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1C 409175726 BEIGHZZIWNYDGY-NDEPHWFRSA-N 529.570 5.825 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc5ccccc45)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409178442 IFSMDAPKVQBNKV-DBHVVYFFSA-N 728.621 6.518 5 40 KKBB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5n[nH]c(-c6ccc(Cl)cc6Cl)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1 409193065 HSMJNXSBGQTXMB-GKTKDVHMSA-N 737.647 6.347 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(Cl)c1 409222766 CIZAEIWLGIEUCT-ZVBGSRNCSA-N 572.914 5.763 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 409336776 VUXQQMKJOVDZFM-QJWUKVPRSA-N 703.365 5.506 5 40 KKBB O=C1Oc2c(ccc3ccccc23)C2=C[C@H](c3ccc4c(c3)OCO4)[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4Cl)C(=O)[C@H]3[C@@H]12 409337218 YSUFMSKLONSPPO-WTEOMTDASA-N 594.963 5.652 5 40 KKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409369608 RCWAREIFKRRGPJ-UHFFFAOYSA-N 626.467 7.606 5 40 KKBB Cn1ccc(=Nc2ccc(NC(=O)c3ccc(/N=c4\ccn(C)c5ccc([N+](=O)[O-])cc45)cc3[N+](=O)[O-])cc2)cc1 1559443 WCAXYNQWNUORFD-GKPLWNPISA-N 549.547 5.050 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(C=CC(c3ccc(C(C)C)cc3)=NN2c2ccccc2)S1 9310083 WRBBLJZICAELSM-NDEPHWFRSA-N 511.607 6.308 5 40 KKBB COc1ccccc1-n1c(S[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)nc2cc([N+](=O)[O-])ccc21 12540922 GDFCNEASMAMDIU-ZCZKMIILSA-N 506.628 5.508 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 14278538 YDEQCHMPQAMHHS-UHFFFAOYSA-N 510.554 5.996 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4cccc5ccccc45)cs3)CC2)cc1NCc1ccccc1 15276992 IIEPNFPKAYUMOV-UHFFFAOYSA-N 521.646 6.810 5 40 KKBB COc1ccc(-c2cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc3cc(OCC(F)(F)F)cc([N+](=O)[O-])c3)n2)cc1OC 33356904 YSDPYABSAWIYPQ-UHFFFAOYSA-N 652.526 5.222 5 40 KKBB CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 59515215 BNKFHOJWUZEJCD-UHFFFAOYSA-N 542.953 5.515 5 40 KKBB COc1ccc2cc(-c3c4oc5c(C)c(O)ccc5c4nc4c3c(=O)[nH]n4C3CCCCC3)c(=O)[nH]c2c1 79474954 ZNLZLZHKXKZZTE-UHFFFAOYSA-N 510.550 5.660 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)cc2[N+](=O)[O-])cc1 100369960 BGTXYXJPHFIYOW-UCQKPKSFSA-N 533.631 6.346 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc(C(F)(F)F)cc1 101177275 ZPPFAQADCPSIJT-IWBSIUBASA-N 538.526 5.091 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OCc5ccccc5)c(OCC)c4)[C@H]3C2=O)cc1 101529648 XFILOKFZRPTWTH-SLGZMBILSA-N 623.662 6.412 5 40 KKBB O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 102555189 LEVZZQYMTBONFN-VJGNERBWSA-N 569.957 5.519 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4cccc5ccccc45)C3=O)cc2)cc1[N+](=O)[O-] 106718452 ZMTIPCIVNADXLB-YSMPRRRNSA-N 560.609 6.061 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC 108417912 KLYMVVZVIGMDOK-LAUBZIAYSA-N 534.637 5.113 5 40 KKBB CC[N+]1(c2ccc(-n3c(=O)c4ccc5c(=O)n(-c6ccc([N+]7(CC)CCCCC7)cc6)c(=O)c6ccc(c3=O)c4c56)cc2)CCCCC1 150656912 IZNKAARAKCURSY-UHFFFAOYSA-N 642.800 6.066 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 162896323 CULXNQVVSQCDFE-HSZRJFAPSA-N 648.598 6.803 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(OC)c(OCc6ccccc6)cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1OC 163279204 NWSILEQGKQBGAV-MXJIGVOESA-N 661.736 5.832 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225112996 YVJADLLENWBWJF-HKBQPEDESA-N 650.798 5.672 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225593198 WKCCTJJZDRGQGM-YTTGMZPUSA-N 697.641 6.653 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 229915281 DYEXHBYXRFDPOE-KCIBBDPESA-N 576.008 6.104 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 248130308 KHCVIOANXKIKGD-IANDGLOUSA-N 571.589 5.460 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260972538 ABFMHABYLAEEIG-JGCGQSQUSA-N 741.694 6.969 5 40 KKBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408565665 LRFPMOMNMOKXBZ-GJECAEJISA-N 572.843 5.212 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 408572306 QVPOLQZEJIFCSM-DEOSSOPVSA-N 573.900 6.989 5 40 KKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]32)c2ccc(C)cc2)cc1 408619714 HANRDFLGYNMORU-TUJIQRHUSA-N 510.977 6.289 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 408631325 HNWJWRVPMXTNMD-WSDLNYQXSA-N 555.037 6.719 5 40 KKBB CC(C)c1cc(Br)ccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408738644 TWVNTMRSOLPMNP-XMMPIXPASA-N 540.414 5.957 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408754272 FXTLRCPJAFWJGI-VEOKEAFVSA-N 835.527 6.965 5 40 KKBB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408839179 OIZHBFAXYKLMGE-LDADJPATSA-N 583.803 6.789 5 40 KKBB O=C1S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1CCOc1ccccc1 409053221 MRERXKQLPXNCMS-HMAPJEAMSA-N 728.302 6.498 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccc(Cl)c(Cl)c4)cc3Br)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1 409079276 ALPGPQMLOLEALC-INJWXVQMSA-N 733.424 6.363 5 40 KKBB CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409148111 XHGULFIKUKAGOZ-HXUWFJFHSA-N 585.008 5.736 5 40 KKBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 409150705 DEMSJPMZWFYNJS-HXUWFJFHSA-N 551.456 5.371 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 409314996 IGRTZEYLRNUDMW-UHFFFAOYSA-N 522.410 5.082 5 40 KKBB Cn1c2ccccc2c(=O)c2cc(NC(=O)CCCCC(=O)Nc3ccc4c(c3)c(=O)c3ccccc3n4C)ccc21 5615559 ZFPLPVLZCCXDSZ-UHFFFAOYSA-N 558.638 5.834 5 40 KKBB CCOc1ccc(OCc2ccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)cc2)cc1 13644057 LMKPBXCCAUMLHA-UHFFFAOYSA-N 517.561 6.778 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 96400862 WTCSQFIIUQPWLP-OXMMHQGISA-N 507.924 6.963 5 40 KKBB CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 100159373 OQIAABJEBZXJBM-UHFFFAOYSA-N 540.963 7.188 5 40 KKBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 100656013 LMAQIYCMSJFVFQ-BIAIOAHNSA-N 543.579 5.037 5 40 KKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 101157702 DUGVODHFSDFEAR-UHFFFAOYSA-N 537.488 6.124 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 101670992 YYPROOUPLMEMIX-TVNXZVQQSA-N 559.553 5.716 5 40 KKBB CC(C)Cc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 102191111 NOYOEFCLXORAPK-WQDCPGLISA-N 597.671 6.649 5 40 KKBB C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CCC2)C(=O)Nc1ccccc1[N+](=O)[O-] 103079820 MGXXJKCYRCFGDD-CTBJKRMSSA-N 551.555 5.933 5 40 KKBB COc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 103541756 GKACDUHCMJDVPI-CDACFMRSSA-N 571.589 5.460 5 40 KKBB Cc1cccc2c1N(C(=O)c1sc3cc([N+](=O)[O-])ccc3c1Cl)C(C)(C)c1ssc(=S)c1-2 105513155 PJVXCQBXQPPNHL-UHFFFAOYSA-N 519.094 8.186 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c(C)c1 109676787 QJASQHMEGQTERS-FSJBWODESA-N 562.560 5.896 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2cccc(C(F)(F)F)c2)sc2c1CCC2 150389894 FHUDLUKSVJYHBV-UHFFFAOYSA-N 674.683 5.582 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214087434 HRKXLPBUKCFTPT-YDZHTSKRSA-N 510.955 6.072 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223432473 BISPNZVHQGFHKM-HKBQPEDESA-N 697.185 5.676 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224350831 SSSOJSQYSNDWDO-VWLOTQADSA-N 554.043 5.190 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224795273 VBZFMGHUVIHZQR-UMSFTDKQSA-N 654.789 5.797 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(F)cc1 225599843 UUMGHFYBYAZZOL-CLJLJLNGSA-N 531.569 5.390 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 408567157 GQBSSCNXPZUEJJ-SANMLTNESA-N 555.056 6.326 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 408569619 JWMRWOUWPRZMOF-DLXDESGFSA-N 525.964 5.025 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccc(Cl)cc1 408570697 LXBVICLWRJENMD-HSZRJFAPSA-N 515.422 6.572 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)cc2)cc1C 408570991 MPLMUCNDJIBUTL-LJAQVGFWSA-N 524.646 7.035 5 40 KKBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 408575065 VWKJTYNQENDJHR-VFICKSILSA-N 542.419 5.539 5 40 KKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1C 408757889 RQCCYIDWKSICBI-UHFFFAOYSA-N 516.351 6.672 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408822349 LTHVYQJBGRJCMY-KEPJHFNWSA-N 865.484 6.282 5 40 KKBB O=C(Cn1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21)Nc1ccccc1 408917869 CDUPOLUUVKHOEW-ZVHZXABRSA-N 512.547 5.425 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCc5cccc([N+](=O)[O-])c5)c(OCC)c4)c(=O)n32)cc1OCC 408946534 OZVQOTFWHOFJNG-JNNIQXQOSA-N 738.613 5.464 5 40 KKBB COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnc(-c5ccc(C(C)(C)C)cc5)n4-c4ccccc4)cc3s2)c([N+](=O)[O-])c1 408979343 BUEUHUBJJQXORU-UHFFFAOYSA-N 739.905 8.220 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408995847 BNVMBMSMBNORAR-JESJEVRBSA-N 726.605 6.194 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409034064 GMFMWIVGZBTBQN-JPAPTLSNSA-N 844.637 6.206 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3c4ccccc4cc4ccccc34)c2=O)=N1 409049405 QRYSVHPDPFHHNY-ASUJOLEISA-N 597.136 6.547 5 40 KKBB CC(C)CNC(=O)COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409109379 CNLSCRORQJHJNC-XIFFEERXSA-N 578.669 6.107 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409157884 NQMYNNXFLNLXJF-ZVHZXABRSA-N 533.562 5.166 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)Nc1ccc(Br)cc1 409164694 MFXFSLPQDNTZHR-LPYMAVHISA-N 568.405 5.611 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)o1 409386593 QKZOFJJJPDPJFR-SRZZPIQSSA-N 603.403 5.561 5 40 KKBB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl 409401877 UHCVHZUODYMMSN-UWVJOHFNSA-N 590.372 5.352 5 40 KKBB O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 409412451 LKNDMGIKMWHASE-UHFFFAOYSA-N 595.262 6.348 5 40 KKBB O=c1c2c3nc4ccccc4nc3n(-c3cc(Cl)cc(Cl)c3)c2ncn1Cc1ccc(Cl)cc1 2197288 QRDXVEQZCJDNJH-UHFFFAOYSA-N 506.780 6.292 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@@H](c1ccc(Cl)cc1)N1C(=N2)C(Cl)=Nc2ccccc21 2318217 AZAASXFXGYFGSV-JOCHJYFZSA-N 503.349 6.664 5 40 KKBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F 3167138 OPWSZYXSJDAATJ-UHFFFAOYSA-N 577.415 5.549 5 40 KKBB Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c12 3310901 TWVZKNXPQJHZHV-UHFFFAOYSA-N 541.951 5.753 5 40 KKBB Cc1cc(Br)cc2c(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)nc12 9371788 DKADTMMIICJCPV-UHFFFAOYSA-N 505.324 5.921 5 40 KKBB Cc1ccc(OCc2ccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)cc2)c(C)c1 13644098 MAAFGWFBNLVRCQ-UHFFFAOYSA-N 501.562 6.996 5 40 KKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 59331563 GBWOXSVHBJZZQX-UHFFFAOYSA-N 517.636 5.907 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1Cl 100023470 JPHIFKROCZUWQN-RUDMXATFSA-N 564.166 6.376 5 40 KKBB CC[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)[C@@H]1CC[C@](C(=O)OC3C[C@@H]4CC[C@@H](C3)[N+]4(C)CC)(c3ccccc3)c3ccccc31)C2 101107085 LIIILPIXOYWUHW-RRFKRQNSSA-N 600.844 6.256 5 40 KKBB O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)/C(=C\c2ccc(Cl)cc2)CCC1 103145557 ONWYJRIGTWYJEU-UZFOFPPESA-N 574.489 6.698 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n31)c1ccccc1CC2 104654930 NEYONHSNFBGLAE-MRWVFDTMSA-N 575.646 5.804 5 40 KKBB CC(C)(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 105306664 XFAOIAYKQLAJLP-UHFFFAOYSA-N 559.648 5.664 5 40 KKBB Cc1cc(C)c2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3C)nc2c1 105307905 NFDQNSLSGLIOAE-UHFFFAOYSA-N 529.622 6.055 5 40 KKBB O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1)c1cccc(Cl)c1 109952417 TXHWNSJDFYQQNC-UHFFFAOYSA-N 520.954 5.887 5 40 KKBB CO[C@H]1/C=C/C=C(/C)C(=O)Nc2cc3nc4cc(Br)ccc4oc-3c(c2=O)C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@@H](C)/C=C(/C)[C@H]1OC(N)=O 150387611 GBAQGGXRNHNHMV-JDTLBAMRSA-N 698.611 5.516 5 40 KKBB O=C(NCc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(F)cc2)n1-c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 150387772 PVCMXHHQDDEWEC-SANMLTNESA-N 659.700 5.915 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225307055 APXNAISIPIXREK-GDLZYMKVSA-N 559.663 5.380 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)o1 225538661 IQAAAJZTOOBRNQ-RRPNLBNLSA-N 543.605 5.260 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 225577703 FJIYURNMKQFHFN-SVBPBHIXSA-N 526.622 5.090 5 40 KKBB Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 225692781 FCHRRTDLRMNHOI-KAYWLYCHSA-N 526.622 5.090 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccc(CC(C)C)cc1)[C@]21C(=O)Nc2ccccc21 229924510 SHEJUFCNSNOQPC-VIBCZQBBSA-N 611.698 7.040 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247300362 DUONHBGHQMEVTO-LWSSLDFYSA-N 534.355 5.300 5 40 KKBB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@@H]3CC[C@@]12C 253537500 HWWNKOPGLSAYEI-QHXJOSOTSA-N 535.769 9.162 5 40 KKBB biogenic,in-vitro O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260979006 KRUBQKWCSGNKCY-MGBGTMOVSA-N 709.652 6.796 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Br)cc3)c(Cl)c1)[C@@H]1CCCN12 408563842 BDEIMUKMDCZMHZ-TUPPOGIXSA-N 568.855 5.736 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 408572320 QWPUCRNEJUNIAC-HSZRJFAPSA-N 547.439 7.019 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408684450 NIWGASCMQDJUPW-TUSFPTNYSA-N 692.981 6.906 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(Br)cc3)c2=O)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408733267 WTOLETJBHKRVDK-QUNTYYFUSA-N 678.561 5.556 5 40 KKBB COc1ccccc1N1C(=O)c2cccc3c(-c4ccc(Br)c(C)c4)c([N+](=O)[O-])cc(c23)C1=O 408757292 LQDQLZALGUBIBN-UHFFFAOYSA-N 517.335 6.295 5 40 KKBB O=c1/c(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408771240 GFTMWUQPIONOBY-QHCWNQLDSA-N 640.548 7.113 5 40 KKBB O=C(Nc1cccc(I)c1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409082202 RPFNOEJSCIASNV-UHFFFAOYSA-N 571.374 7.334 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409107574 WWKOZKNNRHGPPD-SVXDAGRPSA-N 622.703 5.434 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)cc1C 409153404 HXOQHMSMAWMVOT-FMCGGJTJSA-N 505.552 5.763 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)ccc1Cl 409156711 LSGKVOQDZUZEQK-LQKURTRISA-N 668.124 6.858 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409197482 GQXNMQUUJAINMY-XKZIYDEJSA-N 534.550 5.164 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 409270172 GHCICHSWMVONIZ-SSDVNMTOSA-N 539.909 5.868 5 40 KKBB CC(C)CCC[C@H](C)CCCCCCC[C@H](C)CC(=O)OC[C@@H](CO[P@](=O)(O)OCC[N+](C)(C)C)CC(=O)C[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 2060993749 MCQUNSGKFVLGIP-SUKHQQMKSA-O 831.278 13.629 5 40 KKBB COc1ccc(C[C@@H]2c3ccccc3CC[N+]2(C)C)cc1Oc1ccc(C[C@H]2c3ccccc3CC[N+]2(C)C)cc1 1766829 CHPHCFWSDPAATF-OIDHKYIRSA-N 548.771 7.320 5 40 KKBB O=C(Nc1c(Br)cc(Br)cc1Br)c1cc(I)cc([N+](=O)[O-])c1 4015646 NTSZQQBJILWYLL-UHFFFAOYSA-N 604.818 5.739 5 40 KKBB CCc1ccc2oc(-c3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3Cl)nc2c1 8590645 MMXQQFBIKRWYEZ-UHFFFAOYSA-N 506.946 5.708 5 40 KKBB aggregator O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 84429302 DMPUUBXDPAHJAF-OQFQRAQBSA-N 502.527 5.054 5 40 KKBB C=Cc1c(C)c2cc3nc(c4c(=O)oc(=O)c5c(C)c(cc6nc(cc1[nH]2)C(C)=C6CC)[nH]c45)[C@H](CCC(=O)O)[C@@H]3C 85813666 BJKHCHNVSUFKBF-OXJNMPFZSA-N 564.642 6.572 5 40 KKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 98050620 CMWXXCSNXOHUCL-UHFFFAOYSA-N 677.231 7.893 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 103790352 INIFXUCWWRTAOC-JLKMOJGBSA-N 597.693 5.409 5 40 KKBB O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 105302737 ADPBYIGYCBGXOQ-UHFFFAOYSA-N 575.905 7.344 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163214140 NDPAETDSDVSDIA-MIUGUJGPSA-N 644.934 6.903 5 40 KKBB O=c1/c(=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 163770145 RZKPEMCDYVFLKX-YNUDOMLISA-N 798.340 8.638 5 40 KKBB CC1(C)C[C@](C)(c2ccccc2)c2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 163936968 VOZSDOMVLJKTAC-WBVITSLISA-N 733.333 11.981 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223567251 YMUDJZBBYHYTKI-YTTGMZPUSA-N 723.646 5.646 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224858752 MJWTYDILQMNRGH-XIFFEERXSA-N 693.222 5.925 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)o1 224913488 XJMYCDIRZPXPPP-JWQCQUIFSA-N 504.543 5.883 5 40 KKBB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1OC 225195622 FJSCNEMLICZJLQ-SVBPBHIXSA-N 542.621 5.315 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225438785 XENOJGXXVRUMBI-YTTGMZPUSA-N 663.196 6.000 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260987450 MQFMYVALXRMMHM-MGBGTMOVSA-N 707.249 6.315 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Br)cc1 408571184 OBPKGSSETNEIDI-OAQYLSRUSA-N 574.269 7.079 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408676207 ALPWIOKSSRZHTB-SNINSWTHSA-N 703.533 6.161 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1Cl 408828588 NCIUZBFKPRFEAW-JAYSWQADSA-N 621.027 5.060 5 40 KKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408839072 MMSOAMDPTRSRQZ-CAOOACKPSA-N 719.334 8.565 5 40 KKBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409011367 HJSRYSKNHZKIFJ-SGEFVQMOSA-N 614.268 5.687 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409017225 XXGRGPJCOWCNMS-PVGUKEHMSA-N 582.416 6.012 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 409047961 NUUSSPGYNGRQBR-CRCYZHLCSA-N 626.062 5.548 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1 409101096 VFEQRMPNMUQWPH-RBXKPUFLSA-N 671.160 5.391 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409153806 NBXRBUHAGGSLBR-FOKLQQMPSA-N 621.977 7.133 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)c(Cl)c1 409195741 QDXZWZFCRKJZSS-UUASQNMZSA-N 575.622 5.448 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409273884 MNUZQIYTFJLYEJ-WYMPLXKRSA-N 578.559 5.596 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409342677 DUMNRJYFKZVWBU-MTJSOVHGSA-N 646.419 5.460 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1ccc(OCc2ccccc2)cc1OCc1ccccc1 1795444 RTISKHLGWKIKDI-DICXZTSXSA-N 540.959 6.751 5 40 KKBB Cc1ccc(NC(=O)Cn2cc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c3ccccc32)cc1 4092047 ZATMDQYTMUBAKK-AFUMVMLFSA-N 526.574 5.733 5 40 KKBB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)scc12 11757940 HWCARXWLLWJQTR-UHFFFAOYSA-N 533.349 5.091 5 40 KKBB Cc1ccc(C(C)C)c(OCc2ccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)o2)c1 13644070 KOJTUOORJWFUAY-UHFFFAOYSA-N 519.577 7.404 5 40 KKBB CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC 85558953 XXKFQTJOJZELMD-JICBSJGISA-O 779.073 11.460 5 40 KKBB endogenous,in-man CCCOc1ccc(C(=O)[C@@H](CC[C@H](C[N+]2(C)CCCCCC2)C(=O)c2ccc(OCCC)cc2)C[N+]2(C)CCCCCC2)cc1 95856898 XMHLZAHIUHUCOP-TYHGNQNSSA-N 634.946 8.384 5 40 KKBB O=C(OC(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)(C(F)(F)F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 97983258 KPDJPWOLGIDOPB-UHFFFAOYSA-N 602.356 5.840 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 102886893 CELMTJHKWOYMKC-WFPUBZAHSA-N 600.587 5.749 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1 103863631 LTPNIXIAEGXZBE-WAHKBFHJSA-N 596.708 6.251 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 106379020 GQWPMOJKFUJHJQ-UHFFFAOYSA-N 524.382 5.053 5 40 KKBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112240842 UNOWOFMOBJZJLH-UHFFFAOYSA-N 588.498 6.142 5 40 KKBB COc1ccc(/C=C2/N=C(c3ccccc3)N(Nc3nc(Nc4ccc([N+](=O)[O-])cc4O)nc(Nc4ccc([N+](=O)[O-])cc4O)n3)C2=O)cc1 150342358 IZNDHLHPVNFMFI-MFKUBSTISA-N 676.606 5.252 5 40 KKBB biogenic,in-vitro O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 150353217 YWWYYPITDJESIH-PNJIRECESA-N 637.091 7.437 5 40 KKBB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc(Cl)c([N+](=O)[O-])cc5Cl)o4)c(=O)n32)c1 150393817 IOXTVMNWZOKZBI-XIHDXPBISA-N 661.523 6.358 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 163649046 DYPHDNFMAVESMA-QUNTYYFUSA-N 694.560 5.065 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(I)cc1 205756345 JHYWCDKVFRNQCT-VXLYETTFSA-N 566.760 6.349 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl 216127855 QSKAAAJUXXZNOC-UHFFFAOYSA-N 596.445 5.229 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223489434 MAPRXLYYQYRWIV-LJQANCHMSA-N 526.417 5.011 5 40 KKBB O=C(COc1ccccc1)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 225090348 MTDQYZQZXIJFKP-JSOSNVBQSA-N 591.649 6.444 5 40 KKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260913954 GBFKUTCOTKPXPP-KMRXNPHXSA-N 679.623 6.136 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)n1-c1ccc(Cl)cc1 408567206 GSSSYBKEDLKTFA-HSZRJFAPSA-N 628.763 7.988 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)n1-c1ccccc1 408571120 NRSGAMUBLPQNPL-HSZRJFAPSA-N 549.867 7.225 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 408576993 YIDKOLVFEHHMTF-XMMPIXPASA-N 545.448 6.580 5 40 KKBB CCOc1cc(CNc2ccc(Br)cc2C)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408605518 HLWFIGYHEDWUAX-UHFFFAOYSA-N 559.766 8.141 5 40 KKBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408643983 QKTLZMJJRIIWIG-NOZRDPDXSA-N 636.444 5.702 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408687525 UNQOXAGUGFZOKH-UHFFFAOYSA-N 618.600 6.624 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 408722664 BLZZJOTWNUSNJW-VVHYXOSJSA-N 750.432 8.853 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)o1 408757419 MZPXKGWRDQBCTN-JLKMOJGBSA-N 545.620 5.795 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 409029415 AQIGFFVAQBMODQ-LCQSEVKBSA-N 622.099 5.717 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)ccc1Cl 409170440 VSCGBXSZFFMFHP-FOKLQQMPSA-N 649.987 6.911 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4Cl)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409183052 QPVJTGGPAJXLHF-KAEGSSFASA-N 648.137 5.646 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409193814 MTWMMMFKPBPPPB-ZCWBPALNSA-N 753.646 5.967 5 40 KKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)c(Cl)c4)C3=O)o2)cc1[N+](=O)[O-] 409225113 PAIQMXKKRXYUDW-KEBDBYFISA-N 515.906 5.631 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409258017 VRNHNDJALWIESJ-WYMPLXKRSA-N 660.930 6.972 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409259864 GUBFDPPIVFFPSG-MYKKPKGFSA-N 611.032 5.258 5 40 KKBB Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccccc2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 409333241 IMNVOJOQFHQEQL-XUVDGOIQSA-N 514.921 5.078 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)O 409381697 VNXAEZFQKJRXIT-RTWAWAEBSA-N 628.434 5.415 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 1870950 SUUWPAJIUSSOMG-NBJHOTSESA-N 576.008 6.104 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)c2c(O)nc(SCc3ccccc3F)nc2N1 2719585 RMZGCRSQOVWILA-FQEVSTJZSA-N 510.547 5.305 5 40 KKBB O=c1n(Cc2ccc(Cl)cc2Cl)c2cc(N3CCCCC3)c([N+](=O)[O-])cc2n1Cc1ccc(Cl)cc1Cl 6444507 JNKJUDRKSXKGOJ-UHFFFAOYSA-N 580.299 7.412 5 40 KKBB CCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13098714 KROWSNNYUWSYEA-KRWDZBQOSA-N 518.513 6.067 5 40 KKBB COc1ccc2cc(-c3cc(C(=O)OCC(=O)Nc4ccc([N+](=O)[O-])cc4)c4ccccc4n3)ccc2c1 25388968 UUESIZJLEPSITG-UHFFFAOYSA-N 507.502 5.767 5 40 KKBB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc12 25422303 VWJQRWAOCJNLFU-UHFFFAOYSA-N 514.534 6.394 5 40 KKBB C[C@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 98003544 CDJSBTOODNRWPY-INIZCTEOSA-N 567.486 8.056 5 40 KKBB O=C(COc1ccc(Cl)cc1)NCc1nnc(SCc2ccc(C(F)(F)F)cc2)n1-c1ccc([N+](=O)[O-])cc1 100816812 UDARWQQTPCJBQJ-UHFFFAOYSA-N 577.972 5.835 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 106680381 WBAWCBFDXLASDW-UCQKPKSFSA-N 504.520 5.449 5 40 KKBB O=C1S/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745646 KSPLZQMNROGOFY-NTFVMDSBSA-N 519.582 6.988 5 40 KKBB Cc1nn(-c2ccccc2)c(O)c1C(c1ccc(Br)c([N+](=O)[O-])c1)c1c(C)nn(-c2ccccc2)c1O 108423161 JSVWXBNOMMAEME-UHFFFAOYSA-N 560.408 5.937 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccc(Cl)cc1 408568063 HLXNSAPCBPJQKU-QHCPKHFHSA-N 533.412 6.711 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408571130 NSIMIXMMMRDAAE-DEOSSOPVSA-N 656.361 7.872 5 40 KKBB CCCc1nc(S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)O)n[nH]1 408633306 XQWXMGRNRDTZAY-WQRHYEAKSA-N 519.377 5.225 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408637733 AXIBGXGSAFHEAC-SADWXVNCSA-N 817.205 6.409 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1cccc([N+](=O)[O-])c1 408644437 REOBTEOVEZJAKG-ZBWOKKAISA-N 686.546 5.935 5 40 KKBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 408644644 HDKCMSSGHBWARV-NREPNLDQSA-N 646.450 5.014 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C1(Br)c3ccccc3C2(Br)c2ccccc21 408728815 UQAQSNHNHQRWFX-TUUBTQOTSA-N 633.090 5.767 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1cccs1 408767510 LWJCMBHMFDUNBH-WAHKBFHJSA-N 672.788 6.893 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc4ccccc34)c(=O)n2[C@H]1c1cccs1 408780174 UPVHNUVLOVCPDU-ASZNLBCTSA-N 625.684 5.140 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)S2)cc1 408785879 JBIZBERITRWMBC-ZFWDJNJRSA-N 570.465 6.107 5 40 KKBB CCOc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408838098 CBPIZDPKPRONPY-UDWIEESQSA-N 562.987 6.734 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408920563 KCCTWYYHEVJBRK-NULZLWRNSA-N 615.733 5.396 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409033787 LSWQLXPLUOICAG-BXMULHQWSA-N 674.688 5.203 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 409097754 JGOYZUDBIGFXJM-YDZHTSKRSA-N 646.903 6.663 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O 409152100 IXZMJRZKZCDCBJ-WSDLNYQXSA-N 548.533 5.587 5 40 KKBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c3)C2=O)ccc1Cl 409153448 LTTDHBKSXCGVOV-ROTLSHHCSA-N 690.108 5.185 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccc(Br)c(Cl)c1 409205505 ODNQBOQLNJDFOW-UUASQNMZSA-N 531.171 5.339 5 40 KKBB CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)ccc1Cl 409272479 GXPDEACUVWWISU-WSDLNYQXSA-N 540.937 5.604 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C 409359089 MXPWVRKGPZIOMI-NRFANRHFSA-N 531.038 5.026 5 40 KKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 409360521 PYKKCOUBQBLWRQ-NSHDSACASA-N 557.847 5.388 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)o1 409402594 XDVHUNMHUFQBKQ-GRSHGNNSSA-N 635.221 5.171 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)n2c(nc3ccccc32)N1 12462453 XBZFCUZMAJJKJC-MHZLTWQESA-N 505.534 6.441 5 40 KKBB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14274351 AAXMTMSSERIMCI-UHFFFAOYSA-N 515.595 5.829 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14274353 PXTXTIZOHZMNFE-UHFFFAOYSA-N 501.568 5.520 5 40 KKBB O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(Cl)cc4)c4ccccc4c3=O)c2)CC1 29491432 XENNTZHNJZEYNT-UHFFFAOYSA-N 566.017 5.577 5 40 KKBB O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 33667103 HTEFNPWWEGQYEC-UHFFFAOYSA-N 500.599 5.127 5 40 KKBB CCOC(=O)C1=C(C)N=C2S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)[C@H](O)N2[C@H]1c1ccc(Cl)cc1 100545015 GQXFPRLTTCKRAU-ROESIKERSA-N 586.453 6.818 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 102099191 LEJPFFYPVREWFB-QBXGXDJLSA-N 616.626 6.356 5 40 KKBB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2ccccc21 103053788 SNHGETVKULVTBR-UHFFFAOYSA-N 539.919 5.052 5 40 KKBB O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Oc1ccc(C2CCCCC2)cc1 103769931 QCCFLJXRFBJMBV-UHFFFAOYSA-N 582.497 8.490 5 40 KKBB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 113474004 BCMFBURSVUTCSM-GORDUTHDSA-N 513.167 5.390 5 40 KKBB Cc1ccc([P@](/C=C2\N(C)c3ccccc3C2(C)C)(=NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccc(Br)cc2Br)o1 150423024 PXZVVROGUUQINO-OJNUKUGJSA-N 735.391 8.500 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OCc1ccccc1 150502846 JBOSKZTVUHWPBT-FVUNBJOLSA-N 680.580 6.577 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224089941 MJQGQMPLGAQQDR-MGBGTMOVSA-N 707.249 6.235 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224485186 RZWLSXKFSJUDTO-VWLOTQADSA-N 598.494 5.300 5 40 KKBB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224598874 LGONQGRZZUTQEC-SANMLTNESA-N 635.570 5.222 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)cc1 224787853 KQJVKRRBSKDQGQ-WDYNHAJCSA-N 619.555 8.885 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 224793109 UERMTHDPLYOTOP-VMPREFPWSA-N 595.662 7.486 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1cccc2ccccc12 225716443 WSKQHBQUTQBXDV-KYJUHHDHSA-N 563.639 6.404 5 40 KKBB CC(C)(C)c1ccc(OCCOC[C@H](O)C[N@@+](C)(Cc2ccccc2)C2CCCCC2)c(C(C)(C)C)c1 245240527 ZKKOEEJLMHFPLK-ANHUGMMASA-N 510.783 7.017 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260876604 MJWTYDILQMNRGH-MGBGTMOVSA-N 693.222 5.925 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 408565547 CGWNPXPRVJICBJ-VWLOTQADSA-N 583.508 6.734 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408565710 CWBXVXCUPILQRK-LJQANCHMSA-N 564.263 7.624 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1C 408567717 HFFRSDIYXSHJOI-RUZDIDTESA-N 622.372 7.951 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Br)cc3)cc1)[C@@H]1CCCN12 408568420 UJYFSJPTBCVFCJ-CLPFNFTISA-N 534.410 5.083 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 408576066 XGURACHIIMAIJJ-XMMPIXPASA-N 575.474 6.589 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408649142 KLYKNFXQDDNSKQ-CHABCMITSA-N 608.434 5.965 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408732733 YAXXPUDGXRFBPG-SUCLOZJKSA-N 690.664 6.241 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408769276 MJIRQBFJHQNGAM-HWMKKPCCSA-N 803.482 5.836 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccc(Cl)cc1Cl 408783789 MWUXQQWHZXLSRP-CHJZGFJOSA-N 670.574 7.121 5 40 KKBB O=C1S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C(=O)N1CC1CCCCC1 409128006 KLJRJWQNNYJDEY-WGOQTCKBSA-N 502.592 6.944 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409178769 OLRMTRKUPOLMIL-UHFFFAOYSA-N 625.804 7.188 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409180887 UAPOCHSXQVDDBE-AFUMVMLFSA-N 687.512 6.469 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)c1ccc(Br)cc1 409224540 KVURXUMLOHFHCK-CIAFOILYSA-N 526.368 5.126 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc2ccccc2c1 409274279 OIKMFXIRANCUOQ-STBIYBPSSA-N 568.607 6.645 5 40 KKBB Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c1 8835303 RQGHTFUMYRRKCJ-UHFFFAOYSA-N 501.568 5.438 5 40 KKBB CCN(CC)C(=O)c1ccc2c(=O)n(-c3ccc(F)cc3)c(SCc3ccc([N+](=O)[O-])cc3)nc2c1 33077909 ZMVHQMSBHJJZEA-UHFFFAOYSA-N 506.559 5.207 5 40 KKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 59886642 YARYMCOYIFAEGH-UHFFFAOYSA-N 616.677 5.383 5 40 KKBB O=C1C2=CCc3c4c5c6c(ccc5c5ccc(c2c35)C(=O)N1CCc1ccccc1)C(=O)N(CCc1ccccc1)C(=O)[C@H]6C=C4 100053430 XBRCPAMBVIZHBB-PMERELPUSA-N 600.674 6.493 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100299849 ISXAUZMFWBFBIC-UHFFFAOYSA-N 547.936 6.245 5 40 KKBB COc1cccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccc(I)cc3c2=O)c1 100369329 CYRGJPITKAQQNN-KPKJPENVSA-N 525.302 5.078 5 40 KKBB O=C1C(Nc2ccc(Br)cc2)=C[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Br)cc1 100870651 NGGJOSVCHYKFEB-NRFANRHFSA-N 529.188 6.204 5 40 KKBB O=C(O/C(=C1/CCCC(Sc2ccccc2[N+](=O)[O-])=C1N1CCOCC1)c1ccccc1)c1ccccc1 102934174 RAYCEUORYNDBRX-OLFWJLLRSA-N 528.630 6.683 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1ccc(Cl)cc1Cl 103629788 JQBGHEAXKPRWFE-MKFPQRGTSA-N 561.425 5.117 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C=Cc4ccc(Cl)cc4N3[C@H](C(=O)c3ccc(Br)cc3)[C@@H]2C1=O 103973890 DENCGNQTUBKZOH-QVQNZMNRSA-N 592.833 5.592 5 40 KKBB Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)c(Cl)c2)cccc1[N+](=O)[O-] 105318724 GHZHCTXRGABDBD-UHFFFAOYSA-N 599.969 5.706 5 40 KKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 105321959 MGHQFPFQGJZWML-YRNVUSSQSA-N 525.392 5.516 5 40 KKBB COc1ccc(C(=O)Nc2cc3c(cc2[P@](=O)(Nc2ccccc2[N+](=O)[O-])N2CCOCC2)C(C)(C)[C@@H](C)N3C)cc1OC 110551540 ZRBSCHOKDSRFGB-DCUGGURYSA-N 623.647 5.243 5 40 KKBB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@@]21C 118913937 HWWNKOPGLSAYEI-MOTKLJEASA-N 535.769 9.162 5 40 KKBB biogenic,in-vitro CCOc1ccc(N2C(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 150509174 IBNIDBBHSAUJDB-DHUJRADRSA-N 648.741 7.469 5 40 KKBB COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 222523358 YUVLWDPAJRFBPH-LJAQVGFWSA-N 529.637 5.235 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222713743 FQAVUJJMNXPNEJ-AREMUKBSSA-N 621.543 5.429 5 40 KKBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223909934 SQPSSZBAGOIXDW-FQEVSTJZSA-N 633.554 5.573 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224327467 YCQHOOBQGYVUEP-HSZRJFAPSA-N 504.052 5.348 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224458826 QBHAKXDJPUAZOA-NDEPHWFRSA-N 647.581 5.963 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224760231 XMDAAUFEZXAWEP-QFIPXVFZSA-N 631.151 5.012 5 40 KKBB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224789259 NCJRHRIKUQETMU-XZWHSSHBSA-N 599.137 8.540 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 408573658 UAGSTMHWPSUAGZ-HSZRJFAPSA-N 563.438 6.719 5 40 KKBB O=[N+]([O-])c1ccc(NCc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1 408611572 TZTHTDTYWCYXDW-UHFFFAOYSA-N 526.612 6.964 5 40 KKBB C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408652929 PFLMKHDIJANJTE-IRGHGDTESA-N 606.034 5.769 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408734311 WVLFWUSPCLLEII-CTGRGZOBSA-N 690.664 6.241 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1cccc(C)c1 408916548 FCZQZJJPJJKTHO-WYMPLXKRSA-N 569.433 6.490 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)c([N+](=O)[O-])cc1OCc1ccccc1 408956355 RHCOZPWDHNZUQQ-ONOZBBEISA-N 708.587 5.454 5 40 KKBB Cc1c(Br)ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc4ccccc4c2)C3=O)c1C 408994979 KDQPHLOTLLLHQW-UHFFFAOYSA-N 566.411 7.825 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)o1 409158498 OTYZUDBBFOEVPF-RGVLZGJSSA-N 513.915 5.192 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 409259481 ZPIAMMZGYHJYFA-UUYOSTAYSA-N 661.328 6.682 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409269497 CGYNBCQAGZMISI-SSDVNMTOSA-N 550.461 5.123 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 409367220 LLONUBSPRTWERU-UHFFFAOYSA-N 587.279 5.802 5 40 KKBB C[C@@H](OC(=O)c1cc(Br)ccc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3336586 CLLUNBADRJABJO-SNVBAGLBSA-N 510.753 5.318 5 40 KKBB CCCc1nc2sc3c(ncn4c(SCC(=O)Nc5ccccc5Cl)nnc34)c2c2c1CCCC2 8744279 LUZGQRFAJCOYNL-UHFFFAOYSA-N 523.087 6.103 5 40 KKBB Cc1oc2c(cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)c1C(=O)OCc1ccccc1 8871962 BURPTRQKQYLEFS-UHFFFAOYSA-N 516.531 5.960 5 40 KKBB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8898904 RRGKHWHIGZCFHM-UHFFFAOYSA-N 510.358 7.691 5 40 KKBB O=C(CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1)Nc1ccc(F)c([N+](=O)[O-])c1 25394421 XCFQBZUQMKDCEJ-UHFFFAOYSA-N 519.602 6.305 5 40 KKBB CCc1cccc(CC)c1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2c(CC)cccc2CC)C1c1ccc([N+](=O)[O-])cc1 73337304 FBUGLGNPTQPWBY-UHFFFAOYSA-N 580.729 7.357 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@@H]2[C@H]1c1ccc(Br)cc1 97982714 OOCCWTBJFYDRNB-UCNGGQBMSA-N 629.736 8.210 5 40 KKBB Cc1ccc([P@](=Nc2ccc([N+](=O)[O-])cc2)(Oc2ccc(Br)cc2Br)C(C)(C)C)o1 97983385 IINRVTZVFDJSCU-PMERELPUSA-N 556.191 7.972 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1Cl 100358915 UYAYLJDUOVRDNL-ZVHZXABRSA-N 524.982 6.462 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccc(Cl)cc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 102532662 DKMJTUAQYUCHDF-NDEPHWFRSA-N 515.997 7.283 5 40 KKBB O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)/C(=C/c2ccc(F)cc2)CCC1 102901973 FPHYAICONJDWSC-HLYMYNNUSA-N 541.579 5.669 5 40 KKBB COc1ccc2c(c1)N(C[C@H](C)C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C[C@@H](C)CN1c3ccccc3Sc3ccc(OC)cc31)c1ccccc1S2 150387252 PLCNTDATOHYJQQ-UWXQCODUSA-N 797.232 12.155 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 163923922 GDKKEPXQLBBTLS-VPHSIRQSSA-N 644.662 5.114 5 40 KKBB O=C1S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205701858 IOPMVUMTBNELDJ-CVKSISIWSA-N 530.989 7.217 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCCC1 205872975 UJZFODQAFDJLFT-YBFXNURJSA-N 625.295 5.358 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223619990 NUELHNIUVSEGSR-OOXUFLSTSA-N 707.249 6.315 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223713856 HNGLURHBWJBVPF-IDISGSTGSA-N 537.657 5.522 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 226693605 YWWYYPITDJESIH-AGSVCEGISA-N 637.091 7.437 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 229934809 TYZTVRJMCYQKFN-VFELNUOSSA-N 546.454 7.984 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1 253564492 GOVFBCNSIOCVKL-BMPBIMJCSA-N 630.700 7.401 5 40 KKBB COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1 260950373 VFIXSZUHWJNDAB-PGUFJCEWSA-N 684.815 5.888 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261040989 YYAZJMHXJLIXQF-UUWRZZSWSA-N 753.705 7.113 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261045006 ZZGWZVWDPXOTDE-UUWRZZSWSA-N 788.150 7.766 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 408564396 CMUZECKZIBMNGH-SIJZCSJPSA-N 612.908 6.135 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c1 408565450 BXDLVJSPLSVEPR-XMMPIXPASA-N 608.345 7.643 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 408566362 FLDJHORPVAPRTG-PMERELPUSA-N 570.671 6.825 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccc(F)cc1 408575504 WKLCIBDSYPYXJB-XMMPIXPASA-N 587.471 6.483 5 40 KKBB Cc1cccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)c1 408665981 MYULALDUUXHDLZ-UHFFFAOYSA-N 505.527 5.295 5 40 KKBB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408684228 NBFFAERILSBNFD-QYVZARNFSA-N 598.442 6.351 5 40 KKBB COc1ccc([C@@H]2C=C3c4c(ccc5ccccc45)OC(=O)[C@@H]3[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]32)cc1 408732468 RVVMAVWXMYEPDE-SUFMYBPMSA-N 560.562 5.587 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)c1 408780598 FWJTWUQBSMTWKH-ZSXMQSLNSA-N 655.736 5.794 5 40 KKBB O=C1c2ccccc2C(=O)N1CN(C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccccc1Br 408841706 GYGPXSDNBYEEMG-UHFFFAOYSA-N 570.808 6.126 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 408917637 YXAGYBYPVBQSSE-YDZHTSKRSA-N 660.442 6.112 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409086281 GRBWZISNKGJYCA-KMYVYOQISA-N 695.779 5.198 5 40 KKBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 409099310 QAYFUYWUVQCVRM-GIJQJNRQSA-N 525.366 5.469 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 409167899 JZBVNITZMXUXNB-QRVIBDJDSA-N 535.603 5.571 5 40 KKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 409177773 HADVJFXFNSIUOL-UHFFFAOYSA-N 528.904 6.198 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O 409191816 NZKDNSAAUYLKOW-NCHPMYSESA-N 564.304 5.229 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409197150 XCWABZFEHPRQQW-LFVJCYFKSA-N 630.460 6.456 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409203870 YMXGIBZNJRLEMK-WSDLNYQXSA-N 589.851 7.229 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409274709 WWWMYJASEUTVSW-GSASKQFNSA-N 668.772 5.097 5 40 KKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Br)C3=O)o2)c([N+](=O)[O-])c1 409342193 CRZWOZBFUDMWFX-RGVLZGJSSA-N 558.366 5.301 5 40 KKBB CCc1cc(I)ccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1313627 NSLZIJIUGPMAFW-UHFFFAOYSA-N 521.336 5.149 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2ccc(Cl)cc2)=Nc2ccccc21 1876719 YFEJKRRAHOWEOP-NDEPHWFRSA-N 560.017 7.538 5 40 KKBB Cc1ccc2oc3cc(NCCCN4CCc5ccccc5C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 8741293 ZOTDPHRDYBESDS-UHFFFAOYSA-N 515.613 6.110 5 40 KKBB Cc1ccc(-c2sc(NC(=O)c3ccccc3Br)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 16285045 IKKKOLLAWBYKCH-UHFFFAOYSA-N 508.397 7.017 5 40 KKBB CCc1ccc(C2=NN(c3ccccc3)[C@@]3(SC(C(=O)c4ccccc4)=NN3c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 59092610 WVZWHAUCQAUVNI-BHVANESWSA-N 609.711 7.990 5 40 KKBB COc1cc2c(cc1OCc1ccccc1)[C@H](CC(C)C)N(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 68568492 RNOFTTMDKCHAAK-QFIPXVFZSA-N 552.540 5.938 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 100189994 MBFDJBKUEPQNHO-FUFNRSNVSA-N 587.654 5.099 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1ccc([N+](=O)[O-])o1 101196367 RPMZWEKKRUMZPW-UHFFFAOYSA-N 516.810 5.116 5 40 KKBB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=C(O)C1 102532495 PITWRMYPYMZHGT-SSEXGKCCSA-N 533.584 7.961 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 102628737 IKOWWSBYSGUCGE-UHFFFAOYSA-N 544.585 5.775 5 40 KKBB CC[C@@]1(C)Cc2c(sc3c2c2nnc(SCc4ccc(OC)cc4)n2c2nnc(SCc4ccc(OC)cc4)n32)CO1 102836127 SKDMVCOXNBUITF-PMERELPUSA-N 618.810 6.830 5 40 KKBB Cc1ccc(NC(=O)[C@H](Sc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)c2ccccc2)c([N+](=O)[O-])c1 104148142 NTSJZBCXKJKDOJ-AREMUKBSSA-N 562.611 5.722 5 40 KKBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306280 SBSDMNBUBMAYRU-UHFFFAOYSA-N 554.053 5.488 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCCOc1ccc(C)cc1 106739593 OIVZEHDBMFRCHX-XYGWBWBKSA-N 520.563 5.606 5 40 KKBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 197764296 NWPJJMGACJUPDO-QHCPKHFHSA-N 579.708 5.496 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 222904735 UGTPMFKXKKPFKH-SANMLTNESA-N 588.488 5.701 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223488467 UYKRYNCWZSIMGW-ZBLYBZFDSA-N 554.112 6.036 5 40 KKBB COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224782605 FVAJKRQXIZNLAA-LOYHVIPDSA-N 579.707 7.117 5 40 KKBB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 224857727 ASZOGYYFRPBSDE-LOSJGSFVSA-N 502.552 5.444 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 229931888 PSQFWVFXXVDHGV-KCIBBDPESA-N 541.563 5.451 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H]3CN(C)[C@@]4(C(=O)Nc5ccccc54)[C@@H]3[N+](=O)[O-])cc2Cl)cc1 408564757 FTZSNZBQWLIBQL-GJECAEJISA-N 512.393 5.403 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1cccc(F)c1 408573539 TUPGUDVNGLOISD-AREMUKBSSA-N 522.602 6.029 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)ccc1OCc1ccccc1F 408573599 TYBPIYBSJUGYGQ-AREMUKBSSA-N 522.602 6.029 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)O)o2)c1 408634498 VKRNXQCMMVNFGM-JAIQZWGSSA-N 529.914 5.793 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3cccc4ccccc34)cc2)C1)c1ccc([N+](=O)[O-])cc1 408639139 VKCLVPKENOSZMI-NRFANRHFSA-N 510.502 5.319 5 40 KKBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408643987 QKTLZMJJRIIWIG-UKILVPOCSA-N 636.444 5.702 5 40 KKBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(Cl)cc1 408681364 HXOXUDSYFFIYOC-UHFFFAOYSA-N 779.417 6.835 5 40 KKBB O=c1/c(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408757242 WXSAZUNWNPOIJF-DDIUQFJASA-N 823.450 7.015 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408769486 MVWQDRMAOFTMSO-UWRMONIRSA-N 946.352 6.274 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O)Nc1cccc(C(F)(F)F)c1 408873577 SGNHREOTHRALEW-JJFYIABZSA-N 591.951 6.521 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409030927 FRZAYDRWMGIXLZ-GWRYVSOYSA-N 848.510 6.448 5 40 KKBB CCOc1cc(CNc2cccc(Cl)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409112772 CYLOWQIHBCKEAP-UHFFFAOYSA-N 505.796 6.909 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409155722 MIFAPEXOFLNQLN-FSJBWODESA-N 553.980 5.511 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409156806 SUHQNXXVVXSOEW-UFFVCSGVSA-N 584.950 5.632 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409196222 URAFKCGWGBKSMO-MTDXEUNCSA-N 618.668 5.084 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409246289 ALTXDARXARSJAI-YDZHTSKRSA-N 609.433 5.039 5 40 KKBB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OCc1ccccc1[N+](=O)[O-] 409270546 QSYGYWDSNWLKIP-OYKKKHCWSA-N 533.562 5.166 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409272999 OYPKOMPFWMGKEM-CVKSISIWSA-N 561.616 5.864 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1Br 409349615 VSXHNFTWOYRZLJ-XKZIYDEJSA-N 568.405 5.611 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc(Br)cc4Br)c([N+](=O)[O-])c3)C2=O)o1 409400361 PDWUURUAFFXYQX-WSVATBPTSA-N 669.666 5.825 5 40 KKBB CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(=O)C[C@@H](COC(=O)C[C@@H](C)CCCCCCC[C@@H](C)CCCC(C)C)CO[P@](=O)(O)OCC[N+](C)(C)C 2060993748 MCQUNSGKFVLGIP-MFGDEPKYSA-O 831.278 13.629 5 40 KKBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)ccc12 2147930 JKALMKXFKPCRKC-VWLOTQADSA-N 528.561 5.478 5 40 KKBB biogenic CCOC(=O)c1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)c1 2256007 LWKSKRNWHQRBHR-UHFFFAOYSA-N 509.953 5.162 5 40 KKBB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 8816341 TUGADZLWLNPMDV-YRNVUSSQSA-N 525.436 5.918 5 40 KKBB Cc1ccccc1[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1 22429829 JQBIASMQWTWUCW-NDEPHWFRSA-N 515.591 5.004 5 40 KKBB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5ccc6c(c5)oc(=O)c5ccccc56)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 70665222 HCSFRBRVRMVEBY-MKXQUAIGSA-N 652.916 10.668 5 40 KKBB O=C1S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 100236367 OAFWIDMMEBIYQT-NHDPSOOVSA-N 545.451 6.551 5 40 KKBB Cc1c(C(=O)Nc2ccc3oc(-c4cc(I)ccc4Br)nc3c2)cccc1[N+](=O)[O-] 100359445 IXUVIXKREUPPCN-UHFFFAOYSA-N 578.160 6.331 5 40 KKBB Cc1cc(C)cc(N2C(=O)[C@H](C)S[C@]23C(=O)N(CN2CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC2)c2ccccc23)c1 101514934 MEPMRLKYLAPBKL-URAOTHONSA-N 625.673 5.678 5 40 KKBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c2)N3)C1 102156479 SCTXPQQEQVFLMR-QHCPKHFHSA-N 583.579 5.699 5 40 KKBB Cn1ccc(=Nc2ccc(NC(=O)c3ccc(/N=c4/ccn(C)c5ccc([N+](=O)[O-])cc45)cc3[N+](=O)[O-])cc2)cc1 104190820 WCAXYNQWNUORFD-ZXPTYKNPSA-N 549.547 5.050 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4c5ccccc5cc5ccccc45)c(=O)n31)c1ccccc1CC2 104655619 OIMXAKNRPBZONQ-MDYVMDJYSA-N 550.683 6.634 5 40 KKBB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 105305808 KYMLJFZYPGFQLV-UHFFFAOYSA-N 564.067 6.790 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 214772949 BIIMXWOZBOIHAB-FSJBWODESA-N 638.323 7.878 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 214990052 FXNBXXDOSFOWQO-AFUMVMLFSA-N 547.589 5.474 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223817403 QDPXPPOYZRQAAU-NRUKRWIHSA-N 697.641 6.652 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224628934 CMTDMDUMDRACFW-XIFFEERXSA-N 737.275 6.324 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224825678 ABJSAFVSESFUSQ-MUUNZHRXSA-N 679.623 5.994 5 40 KKBB CC1=C(/C=C/C(C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1 238781285 OENHQHLEOONYIE-MCAPLJCUSA-N 536.888 12.606 5 40 KKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cc(Cl)ccc2Cl)cc1 408547577 ZWRYWNAAFYDPFD-UHFFFAOYSA-N 508.383 5.352 5 40 KKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 408559997 XOTRAPJDLVHRFG-UHFFFAOYSA-N 595.821 6.190 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1ccc(Cl)cc1 408564787 AGMJQWYQYJXBDS-HSZRJFAPSA-N 577.863 6.820 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 408565633 CPCDOWCAJZEZTC-AREMUKBSSA-N 603.528 7.369 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408567181 GRAZCPVUSQEYJR-HSZRJFAPSA-N 642.334 7.482 5 40 KKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)O)o1 408634323 UKCJPSMRLAIGND-GRSHGNNSSA-N 534.333 6.438 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408649437 YESGWLFOXJDYDD-ODEJJYLTSA-N 778.643 7.727 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 408685121 OTAUCCVEXZIOCS-UHFFFAOYSA-N 581.195 6.053 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408784595 VNPFBISWHDEICZ-TVRVIFGSSA-N 911.556 7.755 5 40 KKBB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408839204 OSJZMVUYVKGWMN-VCHYOVAHSA-N 618.248 7.443 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)cc1 408844491 JNGICUILGRSETA-ISZRBDKASA-N 804.517 7.285 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408936606 PHIWHSCOCYWYSD-QRVIBDJDSA-N 612.458 5.928 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n32)c(OC)c1 408980484 WWMATZGSDJTOQF-JLKMOJGBSA-N 622.659 5.059 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409040346 YJDTVHWGXBKZHD-OKMHPQNISA-N 769.614 5.686 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409098781 PIHVPNGCMNXRRU-DTDQMKFYSA-N 636.730 5.742 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409154497 BEYCSYFCYKKXFP-ZVHZXABRSA-N 673.485 6.161 5 40 KKBB Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cc2)cc1 409179646 SEURSGIKGHZGCR-UHFFFAOYSA-N 531.948 6.968 5 40 KKBB COc1ccccc1N1C(=O)c2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2C1=O 409181251 AGRLVPCOGBZFQY-UHFFFAOYSA-N 524.485 5.553 5 40 KKBB COc1ccccc1N1C(=O)c2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2C1=O 409182356 KGGAOTWDHQTVCJ-MHZLTWQESA-N 536.496 5.185 5 40 KKBB Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409206894 QXHTWWXPHFYRNO-FLWNBWAVSA-N 536.569 6.645 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409214838 ZHBZSQKDBKQORP-SSDVNMTOSA-N 613.396 5.006 5 40 KKBB C[C@@H](Nc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 8443044 KKYKETVAZABVDI-YULRPQQCSA-N 524.687 5.123 5 40 KKBB O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 8835657 GTOLWNDWUGBLJJ-UHFFFAOYSA-N 500.536 5.163 5 40 KKBB Cc1ccccc1N1CCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CC1 13098811 LEOGLHJSBZGYCG-XMMPIXPASA-N 509.404 5.168 5 40 KKBB CCOC(=O)C(CCCOc1ccc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)OCC 35585966 XOAFZTJVKGZJIW-UHFFFAOYSA-N 521.566 5.742 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccc(N4CCOCC4)c([N+](=O)[O-])c2)[C@H]3c2ccc(OCC)cc2)cc1 97971210 ZELOBQMLMCXUFI-GQGBPRTGSA-N 610.711 6.666 5 40 KKBB O=[N+]([O-])c1ccc(Oc2ccc(C3(c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)CCCCC3)cc2)c([N+](=O)[O-])c1 100354337 ZSPUBQOPSIFQLK-UHFFFAOYSA-N 600.540 8.154 5 40 KKBB CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 102156035 GGTNJFFKTJXNLZ-MRDQGFSESA-N 580.663 7.726 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 102552807 IODFOBPZJQDETA-UUQNIDNHSA-N 559.553 5.590 5 40 KKBB COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 106745798 ZUXONMNNYWZMRO-JJFYIABZSA-N 552.477 5.449 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 109213943 VHNABCBTIOKNKR-ISZRBDKASA-N 592.717 5.901 5 40 KKBB COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)cc1 150445021 QXDQRUNQNHPAKF-KOEQRZSOSA-N 653.595 5.568 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Br 215085157 LYCFJKLXAQELAU-SRZZPIQSSA-N 556.350 6.294 5 40 KKBB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 216525972 HEWBBSJGIZTFDT-UHFFFAOYSA-N 580.062 6.278 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223720684 BUPPOYLVNTVFDW-ZOYWYXQUSA-N 646.741 5.484 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3ccc4ccccc4c3)cc2)cc1 224784970 HWNPSDSKDWVIFU-CZNDPXEESA-N 599.741 8.262 5 40 KKBB COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225110120 BZFVCYLQIZMCRV-VWLOTQADSA-N 574.461 5.454 5 40 KKBB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1C 225282506 VXCRJKWGYOBHNS-IZLXSDGUSA-N 573.631 5.329 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@]21C(=O)Nc2ccccc21 229924505 SHEJUFCNSNOQPC-IIVVFBBSSA-N 611.698 7.040 5 40 KKBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@H]12 247326102 NMHDINZUWSXCHF-IBHPWDLASA-N 500.554 6.345 5 40 KKBB CC(=O)O[C@@H]1[C@@H]([N+]2(C)CCCCC2)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@]4(C)[C@@H]3CC[C@]12C 253588059 GVEAYVLWDAFXET-LIFQWHLCSA-N 572.875 6.111 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260987264 PGUGUYQSOZUICN-PKTZIBPZSA-N 645.178 5.401 5 40 KKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261038710 YGOKSIGJPLDVAZ-PIKZIKFNSA-N 679.623 6.136 5 40 KKBB CN1C[C@H](c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408567809 RJQDBXVIJFBWEO-SGNYCRIWSA-N 558.432 5.703 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(F)cc1 408572095 QPIGCNWZCGYNJO-VWLOTQADSA-N 601.498 6.792 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408575400 WDENZCOQLBMJLV-RUZDIDTESA-N 559.475 6.970 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)n1-c1ccccc1 408577808 ZZGDNVMULDWZKP-QHCPKHFHSA-N 543.418 6.166 5 40 KKBB CC(C)(C)c1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4)CC3=O)cc2)cc1 408637660 MNXYUPIAQZUJTJ-VWLOTQADSA-N 636.657 6.683 5 40 KKBB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O 408646804 UPSJRXXDBSGVMX-NSHDSACASA-N 758.999 6.570 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccccc5OCc5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1OC 408755730 FDKWZTXBPSPCOG-IKHSWBDUSA-N 631.710 5.823 5 40 KKBB Cc1cc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C3=C(N=4)c4ccccc4CC3)o2)cc([N+](=O)[O-])c1C 408780345 XQHKGLRUMCUCDW-SELCLYCASA-N 594.092 6.757 5 40 KKBB O=c1/c(=C/c2ccccc2OCc2cccc3ccccc23)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408786115 MKNGQCJETBBIBL-XHSDYDGRSA-N 621.718 6.959 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n21 408946087 OUWXLKJWLSEHCF-ZSJKCPIUSA-N 638.496 5.126 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n21 408950212 MDTYLRIZKJUPKN-JJHILCALSA-N 701.599 5.869 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409086910 SAWNNDHZVROVEK-WLNFRNCRSA-N 696.576 5.753 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1 409108568 WVPVBVXXBMTEQZ-KMBIYUNPSA-N 696.605 5.199 5 40 KKBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)C1=O 409206670 VMTALYYPNKHOGP-CIAFOILYSA-N 568.526 6.184 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc([N+](=O)[O-])c1C 409271432 CVXMBWYRZHOJLM-SSDVNMTOSA-N 507.480 5.299 5 40 KKBB CC1=CC(C)(C)N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc21 2286053 ZSZOHMSKZVHTQF-UHFFFAOYSA-N 521.913 6.218 5 40 KKBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Oc2c(Br)cc(Br)c3cccnc23)c1 6445354 OPDBLLUTEZQXSV-UHFFFAOYSA-N 522.558 5.089 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nc(-c3ccccc3)nc3c2ccc2ccccc23)sc(C)c1C 6547928 ZJEVTZZIGPCFCD-UHFFFAOYSA-N 527.671 7.036 5 40 KKBB O=[N+]([O-])c1ccc(C2=Nc3c(Br)cc(Br)cc3C(c3ccccc3)(c3ccccc3)O2)o1 8442625 WPAMTXCIQAKUEP-UHFFFAOYSA-N 554.194 7.113 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 33355287 XRZRZZBQPAPSNF-HFESIUDZSA-N 567.528 6.337 5 40 KKBB Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1C 100365512 VLWVOKLZBNEZJN-ZMOGYAJESA-N 596.459 6.228 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccccc1 103073492 XQOFOUFLIAABOB-HSZRJFAPSA-N 541.373 6.231 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 104708822 RBIKMIHITYNBEG-UHFFFAOYSA-N 538.409 5.361 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 106718322 MMAHSKMYIPYXPN-XYGWBWBKSA-N 576.608 5.761 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccccc1Br 106745446 JSPXEFZHWRXDCX-XKZIYDEJSA-N 569.389 5.822 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n31)c1ccccc1CC2 163189323 VBMBJJIZXNVUBJ-OBDCIHEFSA-N 640.515 6.258 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 224479724 MTBKYQPAMXOMIB-BJKOFHAPSA-N 506.971 6.089 5 40 KKBB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224484883 JQELONBKJXIBRT-VWLOTQADSA-N 607.516 5.040 5 40 KKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Oc4ccccc4)cc3)o2)cc1 224656922 NRHJATBRHNGDEU-VMPREFPWSA-N 534.597 7.219 5 40 KKBB O=C(O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 224787274 YJIWQYUNGIDRGE-WDYNHAJCSA-N 594.674 7.276 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260907867 XFOGSVMRSFKQBT-JGCGQSQUSA-N 727.667 6.579 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Br)c1)[C@@H]1CCCN12 408569644 WUSXEOSFZLJTND-UQBYDPJISA-N 603.300 6.389 5 40 KKBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408650672 MQEDYYLVNUPDOP-YQWUIPHSSA-N 585.616 5.506 5 40 KKBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2ccc(Cl)cc2Cl)cc1 408676560 ARTPDNOXINZYGJ-JOCHJYFZSA-N 506.363 5.508 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 408729564 CKFBTGBUBSIFIS-BPIVLGIGSA-N 735.815 6.381 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)cc1 408829470 OCAHCTYJNHPDPP-FUFNRSNVSA-N 604.084 5.247 5 40 KKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cc(Br)ccc1OC(=O)c1sc2cc(Br)ccc2c1Cl 408841637 GAFBBYVNQSIKBT-VCHYOVAHSA-N 662.699 7.552 5 40 KKBB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n21 408949208 SFDMVMJIANCMBY-NFYDWNOTSA-N 672.941 5.780 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409147468 YWNUWCOJJNDGNP-RBMXVJLZSA-N 717.425 6.663 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409150332 BCIVMXABYPRVFI-FSJBWODESA-N 587.532 6.398 5 40 KKBB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl 409175289 YXPHCCAPTUNBLT-XMMPIXPASA-N 534.874 6.153 5 40 KKBB Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C(=O)O[C@H](C(=O)c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc2)C3=O)cc1C 409180215 QAUQUAFCTVHXOS-UMSFTDKQSA-N 626.621 7.586 5 40 KKBB O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409183224 SUVSZLWONRBQSX-MUUNZHRXSA-N 563.591 6.752 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2cc(Br)ccc2O)c(C)c1 409412328 JKEGGLCMHRWNSX-UHFFFAOYSA-N 568.453 5.967 5 40 KKBB Ic1ccc2c(ccc3op(N4c5ccccc5C=Cc5ccccc54)oc4ccc5cc(I)ccc5c4c32)c1 1857791594 WKHSEEROYQFCPR-UHFFFAOYSA-N 759.321 11.891 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 1307668 KFXBECWPPMHJFR-IEBWSBKVSA-N 563.945 7.211 5 40 KKBB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 2773129 SPWJPFFZXPUTNN-UHFFFAOYSA-N 516.937 6.507 5 40 KKBB Cc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 12659725 OUJFSSPHEXFVAT-GOSISDBHSA-N 514.003 5.038 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2 97948752 BKMHVIQLZFUYSX-FYYLOGMGSA-N 602.367 7.259 5 40 KKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccc(C(C)(C)C)cc6)o5)nc34)c12 98046142 KPRDCUHDVNGEPH-UHFFFAOYSA-N 537.567 7.351 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@H](OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)sc2c1CC[C@H](C)C2 103100781 YKOQWNOSOANRTO-UPCLLVRISA-N 552.605 5.503 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)c1cc(C)n(CCC(C)C)c1C 103114373 WJIPGQFZVBAXSO-UHFFFAOYSA-N 541.626 5.208 5 40 KKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 104221745 MJNQERWMYPPIHA-UHFFFAOYSA-N 551.397 5.817 5 40 KKBB Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 105307864 HMENEMOGPVUEIG-UHFFFAOYSA-N 536.013 6.092 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 106752697 VIVUACPIIVHKJJ-NDENLUEZSA-N 589.367 5.632 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 214233008 AKKJCCCLFKMCPB-FOKLQQMPSA-N 573.396 6.321 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 215980308 QKNKSIYEOPIERB-UHFFFAOYSA-N 552.436 5.073 5 40 KKBB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222590998 OAOWOSLTCDHSPJ-SANMLTNESA-N 508.018 5.203 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224362591 MOOTYSLHBLHODD-WJOKGBTCSA-N 663.196 5.998 5 40 KKBB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CC1 224765951 HASQYPPCVWUYBP-IZLXSDGUSA-N 541.702 7.071 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 229615361 YYPROOUPLMEMIX-GYPIRZFJSA-N 559.553 5.716 5 40 KKBB CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@H]2[C@]12C(=O)Nc1ccccc12 248376252 CBXSBQLRTDYRMY-NLCLVCPQSA-N 585.616 5.975 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)n1-c1ccc(F)cc1 408565689 CTQLLGAWICWRHM-HSZRJFAPSA-N 612.308 7.473 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc(Br)c1OCc1ccc(C)cc1 408567149 GPHUWRVKXXGELD-AREMUKBSSA-N 613.534 6.743 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 409000446 YVMMPXUCCYRSOV-LKWZWFHSSA-N 648.535 5.435 5 40 KKBB O=C1N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1Cc1ccc(F)cc1 409012383 JRPQWMLBZYLIET-SRZZPIQSSA-N 605.214 5.931 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)c2=O)=N1 409031954 IESVTTNVUUTVSI-CSJROMOCSA-N 651.539 5.049 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409100767 WQLCAWRXYPXAKZ-UJVJZFQOSA-N 686.171 5.452 5 40 KKBB CCc1ccccc1NCc1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409109832 MHCAGTGWTFLQIV-UHFFFAOYSA-N 520.221 6.873 5 40 KKBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 409182543 MJKYGUSLYVUOBG-MHZLTWQESA-N 570.941 5.838 5 40 KKBB O=C(c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 2959569 PIGFAVJNUGNVOL-UHFFFAOYSA-N 507.541 5.679 5 40 KKBB Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=N2)C=Cc2ccccc21 3290148 XQMWDZOOCNIPRD-VWLOTQADSA-N 502.361 7.062 5 40 KKBB CCN(CC)CCCN(CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 3811823 ZZRUNKWLFOCIGS-UHFFFAOYSA-N 500.684 5.263 5 40 KKBB investigational COc1cc(NC(=O)c2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)cc([N+](=O)[O-])c2)c(OC)cc1Cl 6905840 KKECQSFHRULEOY-UHFFFAOYSA-N 550.351 5.441 5 40 KKBB O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(Cl)cc3)CC2)cc1 16712824 CBEWKYJWRINHMV-UHFFFAOYSA-N 510.985 5.976 5 40 KKBB O=C(C[C@@H](c1ccccc1)[C@H](C(=O)c1ccccc1)[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1 33355112 QFFRUDKBZNZJIJ-RCTKZWLUSA-N 554.646 8.304 5 40 KKBB Cc1nn(CCOC(=O)c2ccc(Br)cc2)c(NC(=O)c2ccc(Br)cc2)c1[P@](=O)(Nc1ccc([N+](=O)[O-])cc1)N1CCOCC1 97984246 XYGHAGXAJFTVEK-DXQCBLCSSA-N 776.379 5.997 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100363819 NZYMHAHUCAAOSE-SSDVNMTOSA-N 552.477 5.449 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cc(Cl)ccc4C)C3=O)cc2[N+](=O)[O-])cc1 100369735 NIHKRFMCWVMMHB-FMCGGJTJSA-N 554.049 6.691 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OCc5ccccc5)c(OCC)c4)[C@H]3C2=O)cc1 101529638 XFILOKFZRPTWTH-CEUYOYMZSA-N 623.662 6.412 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 102216666 ZKCOGZWVEOPFAB-UHFFFAOYSA-N 571.019 5.027 5 40 KKBB O=[N+]([O-])c1ccccc1SN[C@@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl 102580480 HZKAJNZYDCANRU-CYBMUJFWSA-N 530.684 5.637 5 40 KKBB C[C@@H](OC(=O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1)C(=O)Nc1ccc(Cl)cc1Cl 103132678 FSNQCEQXHQLBPV-CQSZACIVSA-N 578.364 6.039 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 106702340 LHFXFSFDRBSWFE-IWIPYMOSSA-N 518.547 5.758 5 40 KKBB COc1ccc(C(c2c(C)nn(-c3ccccc3)c2O)c2c(C)nn(-c3ccccc3)c2O)cc1[N+](=O)[O-] 108423440 YMVZGXFRRVNBRJ-UHFFFAOYSA-N 511.538 5.183 5 40 KKBB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3F)n2[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 108823593 PTBVLKBTEDEXGQ-JPLJXNOCSA-N 555.632 5.641 5 40 KKBB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 150479654 OHAFTIWTFWEBAK-LRRPYFKBSA-N 650.113 6.133 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(I)cc1 215229901 PLIOSPVCVIYOOL-SRZZPIQSSA-N 603.350 6.136 5 40 KKBB CCSc1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 216131568 BIPAYLRCLBMTML-UHFFFAOYSA-N 550.058 5.511 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261032015 XEOFKMXCCBXXQM-UUWRZZSWSA-N 737.250 6.599 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261041644 KRBOUCQLPGHGLQ-HXUWFJFHSA-N 710.047 5.855 5 40 KKBB Cc1noc(/C=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)c1[N+](=O)[O-] 408543914 QQJIMIOQNOBFPR-DAXSKMNVSA-N 528.584 6.819 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)[C@@H]1CCCN12 408568868 VCQIEFCWRHDVQY-UQBYDPJISA-N 552.400 5.222 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 408577456 ZNRSCBRLFZFOAU-SANMLTNESA-N 613.534 6.743 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 408618159 CIXWEBSMMMMYGY-OFRZWCKSSA-N 665.145 8.054 5 40 KKBB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](Cc4ccc([N+](=O)[O-])cc4)NC(=O)C(c4ccccc4)c4ccccc4)cc3)sc2c1 408738875 WOSLMTNGZIGCHJ-JGCGQSQUSA-N 626.738 7.678 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408804995 IFMYOPHSFBKQQT-WGJPBTIMSA-N 700.144 6.224 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1Cl 408823966 HBMQJIYVEBKVIZ-ZFWDJNJRSA-N 750.398 6.197 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(C(=O)OCC)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408942789 RNNXEIKZZLKAKP-IMUCPKNRSA-N 764.651 6.012 5 40 KKBB O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCCC6)cc3[N+](=O)[O-])sc2c1 408989855 JCJPPLYPJNOJHL-UHFFFAOYSA-N 651.751 7.803 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409032665 MFOMAZAYADJNIL-PLMBTIQCSA-N 722.614 5.844 5 40 KKBB O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 409099239 QZNJKEZBMIOQGX-KEBDBYFISA-N 518.740 6.231 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)ccc1Cl 409165351 WWQSTGOMCJCTGU-ZMOGYAJESA-N 641.058 6.076 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c2=O)=N1 409191095 SEWBANRXOZSBOG-ZTJHJZSNSA-N 830.570 7.501 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1Cl 409265769 OWDNYLJUJGBADC-LSHDLFTRSA-N 607.950 6.743 5 40 KKBB COC(=O)c1ccc(Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(I)cc4)C3=O)cc2OC)c([N+](=O)[O-])c1 409268559 VUEQMULAWCUIFV-FMCGGJTJSA-N 689.440 5.462 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 409374687 WRAFPXPYQWGHMV-OYKKKHCWSA-N 531.590 5.774 5 40 KKBB Cc1cc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)cc2)ccc1[N+](=O)[O-] 1863948 BBPJLAMFJQDKNH-UHFFFAOYSA-N 576.539 5.391 5 40 KKBB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc3c(c2)nc2c4ccccc4c(-c4ccc(Cl)cc4)nn32)cc1 6023838 ZYNMXSZIJVMYNM-IBGZPJMESA-N 570.074 5.970 5 40 KKBB CCOC(=O)c1c(-c2ccccc2)oc2c1cc(NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc12 6142803 XRDPCDRLEFVMQM-UHFFFAOYSA-N 546.557 6.147 5 40 KKBB CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C)C3 6600331 MGPQHBCPQRRBOM-CYBMUJFWSA-N 502.618 5.253 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(-c2nc3ccccc3o2)c1O 8835166 HESHDMBIHQCQGI-UHFFFAOYSA-N 514.519 5.804 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 14275905 MVWNRYLQYWNHGJ-UHFFFAOYSA-N 508.991 5.452 5 40 KKBB COc1cc(C(=O)N2N=C(c3c(-c4ccccc4)c4cc(Br)ccc4[nH]c3=O)C[C@H]2c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 49625650 UPFXYMVKGHBQBH-MHZLTWQESA-N 683.515 6.883 5 40 KKBB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 97948397 QUIRBVWWFRBYFO-UHFFFAOYSA-N 566.953 6.722 5 40 KKBB Cc1[nH]c2ccccc2c1/C=C/c1nc2ccc(I)cc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 100023416 PAVYMRYATMIOLC-ACCUITESSA-N 548.340 5.859 5 40 KKBB O=C1C(Nc2cccc(C(F)(F)F)c2)=C[C@H](c2ccc([N+](=O)[O-])cc2)N1c1cccc(C(F)(F)F)c1 100879018 ICHYRDRHEMHZHD-OAQYLSRUSA-N 507.390 6.716 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 102788758 GBHQVSUWGZIPLU-ABBNRAPFSA-N 571.655 5.264 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C/c5ccc(-c6ccc([N+](=O)[O-])cc6OC)o5)c(=O)n42)c2ccccc2CC3)cc1OC 104658077 KESXTPKWAOHIHT-KOHOJCOXSA-N 621.671 5.513 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 163218035 JVIDSCXPJVORQQ-ZMTYCLHQSA-N 790.446 7.461 5 40 KKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 224975531 QDGWREHLOIGNIB-BJKOFHAPSA-N 506.971 6.089 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225321570 UTUFIQNZOPZNMW-RUZDIDTESA-N 700.041 6.401 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225639408 GSGUYSGXNQOMSO-MGBGTMOVSA-N 658.777 5.355 5 40 KKBB COc1ccc(-c2ccc(/C=C/C(=O)N3c4ccccc4Sc4ccc(Cl)cc43)o2)c([N+](=O)[O-])c1 226363885 WCBOMAAOFREYKK-UKTHLTGXSA-N 504.951 7.360 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccc(F)cc1)[C@]21C(=O)Nc2ccccc21 248329628 DPAPWPGRWVQXGD-CTMYTVLESA-N 573.580 5.980 5 40 KKBB Cc1ccc(COc2ccc(Br)cc2[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1 408569670 WVLJCIFXNVIRDM-HDEUIXPWSA-N 548.437 5.391 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408635253 ZOGNPNFDQCTMGR-BKUYFWCQSA-N 510.959 6.313 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733596 LLDBRAADPLMCNZ-VPHSIRQSSA-N 640.630 5.443 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408791229 XNOKROWGZBKGOG-QZVQSRICSA-N 665.699 5.571 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccc2ccccc12 408919260 VLCKVLXMOLYUCS-HZHHUVPKSA-N 635.698 5.447 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n21 408940819 CKCHNYQMXJFSDL-BUDNTJSZSA-N 757.457 6.208 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc([C@@H]4N[C@@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl 408987067 ACMRGSRNTXWXKP-VGOFRKELSA-N 573.077 6.050 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c2=O)=N1 409033034 DFFPEGPMRHBPOZ-UQDCTOEPSA-N 638.098 5.417 5 40 KKBB CCCCN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409059573 QSXFCDUCBVWYMX-UNOMPAQXSA-N 521.389 5.781 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)cc1 409106524 NWSOQBCJNYJZHU-CVKSISIWSA-N 556.600 5.672 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409188708 KHUBVXCQZRAZRB-OTHIGLTOSA-N 858.196 7.698 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409195382 PFIMQWLPSLRJTE-ZMOGYAJESA-N 533.562 5.166 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409225980 RZGWUAHXGZEUMX-WSDLNYQXSA-N 535.490 5.223 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4ccc5ccccc5c4C3=C[C@@H](c3ccccc3)[C@H]2C1=O 409336661 USBKVMWMUCVHAX-SIZNEBELSA-N 530.536 5.578 5 40 KKBB COc1ccc(-n2c(CNc3ccc(C)c(Cl)c3)nnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 900337 RQVFDUYDTLZRCC-UHFFFAOYSA-N 553.044 5.797 5 40 KKBB O=C(Oc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 990663 QXCDUSSKTXRFRJ-XQOSCOKLSA-N 516.509 5.211 5 40 KKBB Cc1ccccc1-n1c(=S)sc2c(=O)n(-c3ccccc3)c(SCc3ccc([N+](=O)[O-])cc3)nc21 3043129 NKPPPMYEIDNOES-UHFFFAOYSA-N 518.645 6.476 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC(C)C 100217180 FBHVDGWFSULKDE-WOSHRIRTSA-N 562.691 5.892 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 100308020 UUMGVPAVMBFNCK-KEPJHFNWSA-N 613.095 5.363 5 40 KKBB CC[C@@H](Sc1nc2cc(OC)c(OC)cc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)C(=O)Nc1cccc(OC)c1 101307969 DXHGEXUUUULZCW-XMMPIXPASA-N 574.619 5.388 5 40 KKBB Cc1nn(-c2ccccc2Cl)c(O)c1[C@@H](c1cc([N+](=O)[O-])ccc1O)c1c(C)[nH]n(-c2ccccc2Cl)c1=O 101530058 FNLFHYJLGQRFBY-VWLOTQADSA-N 566.401 5.775 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N(C)C(c1ccccc1)=N2 102940956 FEIKEYSLCAVETK-KDXMTYKHSA-N 541.552 5.433 5 40 KKBB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)CC2)cc1 104085837 CPYVRJCRTZUPLR-UHFFFAOYSA-N 595.077 5.888 5 40 KKBB CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3O)nc2c1 112243543 YXAIZIAYLQFQAJ-UHFFFAOYSA-N 561.620 5.195 5 40 KKBB O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@@]3(S2)c2ccccc2C(C2=CC=C(Br)CC2)=NN3c2ccccc2)cc1 150425650 GIAUJCPYNGTSAZ-MGBGTMOVSA-N 634.559 8.544 5 40 KKBB O=C1S/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214893676 KIBXDCRRDWLRIJ-SSDVNMTOSA-N 515.374 6.717 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)o1 224284109 DKPZDCDIBCDEIQ-IZZNHLLZSA-N 500.580 6.052 5 40 KKBB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224709188 CJUSPMXBXQRVAM-OAQYLSRUSA-N 643.560 5.029 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225063787 KADQRWFDTGBCQU-SANMLTNESA-N 574.530 6.300 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225529804 GDWNRCSSCKIXDA-MGBGTMOVSA-N 786.145 7.079 5 40 KKBB CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N@+](C)(Cc2ccccc2)C2CCCCC2)cc1 245240288 PRONGAWLQZADHF-NHZFLZHXSA-N 510.783 7.136 5 40 KKBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408568413 UJPQYLSOYXQWOL-BYGVMDBSSA-N 586.870 5.602 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1 408570950 MLANSWINTGRYHC-QHCPKHFHSA-N 547.439 7.019 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 408574083 UQPIQWWSVBQNPG-DEOSSOPVSA-N 573.444 6.175 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl 408576502 XNJQUMGNCIBBBZ-HSZRJFAPSA-N 579.893 7.234 5 40 KKBB Cc1c(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 408585742 HVRHVJVOYCQKRQ-UHFFFAOYSA-N 552.834 5.149 5 40 KKBB CCn1c(S/C(=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1ccc(Cl)cc1 408635108 YVZDVMWEWGVAQS-DHDCSXOGSA-N 525.768 5.213 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408641952 DLRZYFBVFNQODJ-YASBFDIKSA-N 712.114 6.600 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730465 REGSOZAVAUVZKB-ZJTZAHLKSA-N 661.048 5.788 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408824866 ASZWUKBPRZONKJ-DDIUQFJASA-N 622.678 6.305 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408981479 HWHXSHHGJMTLRF-CJIXEESDSA-N 702.967 5.790 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 409088337 WXKUJUMDYPAWSY-PYCBVSLESA-N 622.659 5.059 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409113974 HXRGPCPGQJBVSV-GVMLUORFSA-N 655.958 5.688 5 40 KKBB CC(C)c1cc(I)ccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 409168379 LYUPXOZYXKBOKC-UHFFFAOYSA-N 524.340 5.104 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1CCc1ccccc1 409201756 PLIOQKZJFCAHFL-HYARGMPZSA-N 514.481 6.685 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409272131 LTZADRYADFRMPS-FOKLQQMPSA-N 543.384 6.400 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 409273931 AITYMXIVHCAWEV-GWXNNEATSA-N 666.800 5.867 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)o1 409384269 ADNACXPIKLJXEZ-KEBDBYFISA-N 607.822 6.206 5 40 KKBB COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC 1425338 MOGJQHMFOHMMSH-JXMROGBWSA-N 529.549 5.420 5 40 KKBB CC[C@H](C)Oc1c(I)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC 2084974 AIJBKCXITMIZMY-MDBUFAAASA-N 568.389 5.622 5 40 KKBB Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)C45CC6CC(CC(C6)C4)C5)c3)CC2)cc1 8816322 DUPMRUDRSQREKR-GSSZYLCVSA-N 502.659 5.882 5 40 KKBB COc1ccccc1N1CCN(C(=O)CSc2nc3ccc(Br)cc3c3nc4ccccc4n23)CC1 33357843 JSADRCITGHKDCB-UHFFFAOYSA-N 562.493 5.248 5 40 KKBB COc1ccc(C[C@H]2c3cc(OC)c(OC)c(OC)c3CC[N+]2(C)C)cc1Oc1ccc(C[C@@H]2c3cc4c(c(OC)c3CC[N+]2(C)C)OCO4)cc1 82190252 AQJUOAPVBUCVAX-NOCHOARKSA-N 712.884 7.083 5 40 KKBB Cc1cc(C)cc(N(CCC(=O)OCc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc3ccccc3c2)c1 89585283 UEYYVLGJORJWHE-UHFFFAOYSA-N 518.591 5.694 5 40 KKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 97980155 VPRGRGQLRLNGBU-BKIZBIRHSA-N 540.834 7.992 5 40 KKBB CCOC(=O)c1c(-c2ccccc2)oc2ccc(N(C(=O)c3ccccc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc12 102628670 GXHCROBQFOMODL-UHFFFAOYSA-N 584.606 6.529 5 40 KKBB O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 102877152 FHJDUXIIMCMZBY-QKDODKLFSA-N 604.402 6.172 5 40 KKBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1cccc(Cl)c1 103091074 SMYOYJPZURMDIS-UHFFFAOYSA-N 514.774 5.389 5 40 KKBB COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)c(C)cc1[N+](=O)[O-] 103133844 JSDDVDBYFZOAFY-UHFFFAOYSA-N 528.949 5.134 5 40 KKBB O=C(CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1)Nc1ccccc1[N+](=O)[O-] 103754591 IDSTYJZKADFPIS-UHFFFAOYSA-N 533.418 6.494 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 163711269 BIMISKCKYUXTKQ-ZJTZAHLKSA-N 662.702 5.138 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1 214221759 CWFCZLUBIQDVHB-SRZZPIQSSA-N 518.444 6.782 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)cc([N+](=O)[O-])c1C 214389616 MVICNLCQKZQNTK-UFFVCSGVSA-N 503.363 7.015 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223505410 NBMKTQZBBQHNFL-SANMLTNESA-N 635.570 5.819 5 40 KKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223863422 YXKOFFPRTMZTEZ-HHHXNRCGSA-N 635.570 5.821 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225206929 VEWSICPLYIVUEB-JOCHJYFZSA-N 657.587 5.419 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1 225536130 BJFXLDACZSVUFZ-CLJLJLNGSA-N 513.579 5.251 5 40 KKBB O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 225540582 XVTGHSUNVPZLOJ-IZZNHLLZSA-N 513.579 5.251 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(C)cc2)o1 225581507 IMTBZXKMDCDBFO-IZLXSDGUSA-N 557.632 5.568 5 40 KKBB Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nnc2-c2ccccc2O)c(C)c1 408542439 IVCDVIDXQFPWHN-UHFFFAOYSA-N 509.975 5.549 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)cc1 408565060 BBUUTMPUHVJXOV-XMMPIXPASA-N 573.444 6.175 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c1)[C@@H]1CCCN12 408565508 LAHAGXJDTNRDCM-UUNMANHLSA-N 558.849 6.280 5 40 KKBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408569697 XBHZZJDLEQBYCL-FODJJAHYSA-N 572.843 5.212 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408637577 AKUKHMMFKQYJGF-YKQNXRHISA-N 604.015 5.129 5 40 KKBB Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1C 408644696 IAMPACZZVTYQID-UHFFFAOYSA-N 505.527 5.295 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408686280 RHUBBUDPDBRKQM-FZDFQQAASA-N 608.448 5.807 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 408753100 HSWHDMKYSFJXCT-KOUWNTBJSA-N 524.576 6.685 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)cc1 408853089 YNARQFIFCFCKPK-JLKMOJGBSA-N 641.105 6.094 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408854384 DMVZUHUBMODYOI-SUAMDDGLSA-N 652.523 5.516 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409039701 XFVDQIRRIRQECU-SELCLYCASA-N 643.718 5.081 5 40 KKBB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409077697 FKOUWWRSDAZSIZ-UHFFFAOYSA-N 514.368 8.036 5 40 KKBB O=C1S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C(=O)N1CCCc1ccccc1 409141871 JIRAPIZCISQGPZ-TURZUDJPSA-N 524.598 6.996 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)C2=O)ccc1Cl 409176014 WXQIFBZQRRLTOT-MZJWZYIUSA-N 699.094 6.979 5 40 KKBB O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 409233686 WAMWFBQHYAEWMX-RGVLZGJSSA-N 563.191 6.340 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)o1 409387203 UQWHZTSVBGVVQZ-SRZZPIQSSA-N 558.952 5.452 5 40 KKBB O=C(Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)c2)cc1)c1ccc([N+](=O)[O-])cc1 1837394 WMBIXLMZNAHRSP-UHFFFAOYSA-N 590.548 7.592 5 40 KKBB COc1ccc2c(c1)[C@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(OC)ccc5CC[N+]4(C)C)ccc3OC)cc1)[N+](C)(C)CC2 5369720 XPTZLWPVLRHFHQ-PQQNNWGCSA-N 608.823 7.337 5 40 KKBB COc1cc2c3cc1Oc1cc(ccc1O)C[C@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C 14953567 JFJZZMVDLULRGK-VMPREFPWSA-O 609.743 6.701 5 40 KKBB in-vitro Cc1ccc(C(=O)Nc2ccc(N3CCN(c4c(F)c(F)c(F)c(F)c4F)CC3)cc2)cc1[N+](=O)[O-] 22830217 FMNBMXWOYKQZEK-UHFFFAOYSA-N 506.431 5.178 5 40 KKBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc2ccccc2c1 97954253 WEYAEDVRPLAJQN-GVAUOCQISA-N 534.355 6.106 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 100955426 YSGYZPVBHGTOAG-PKYOQBLNSA-N 611.079 6.004 5 40 KKBB O=C(Nc1ccccc1[N+](=O)[O-])C(=O)[C@@H](C(=O)c1ccccc1-c1ccccc1)[C@@H]1OC(=O)c2ccccc21 102933785 NXGPSBMKJWIUQL-LEAFIULHSA-N 520.497 5.180 5 40 KKBB Cc1ccc(N2C(=O)/C(=C\Nc3c4ccccc4n4c(C)nc5ccccc5c34)c3ccccc3C2=O)cc1 103004052 NWJMSFKIOJRDFE-DIBXZPPDSA-N 508.581 6.898 5 40 KKBB COCCn1c(C)cc(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc([N+](=O)[O-])cc2)CCC3)c1C 103139142 NNXKANSJPXXFMT-PTGBLXJZSA-N 553.615 6.124 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105318703 ZMLQLSUDEJCKON-UHFFFAOYSA-N 617.556 6.004 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 112242877 DXWJXJLNJKLLRR-SFHVURJKSA-N 559.648 5.880 5 40 KKBB Cc1cccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)n2-c2ccc([N+](=O)[O-])cc2)c1 150387670 RVLCUCJHRLHLCY-MHZLTWQESA-N 655.737 6.085 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1 164516144 FSMRFNJOIABXCU-WGJPBTIMSA-N 678.679 5.553 5 40 KKBB CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 214979758 MRQIFZKCSJMMMY-LGJNPRDNSA-N 518.635 6.698 5 40 KKBB O=C(NC[C@H]1CC[C@H](C(=O)Oc2ccc3c(=O)c(-c4ccc([N+](=O)[O-])cc4)coc3c2)CC1)OCc1ccccc1 217973649 RMEBKYQIPRYOEN-UHGJSFDGSA-N 556.571 6.006 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 224681554 IGDTVRZVELNHPT-IHLOFXLRSA-N 547.640 7.058 5 40 KKBB COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 225307042 APXNAISIPIXREK-LJAQVGFWSA-N 559.663 5.380 5 40 KKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1 225377786 MHGIBAUNJPEGLU-NSOVKSMOSA-N 525.634 6.279 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 229843957 ARFPDNHPVKDBPQ-KCIBBDPESA-N 541.563 5.451 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260956913 KPRVNXOMRLCJMH-PMACEKPBSA-N 700.041 6.399 5 40 KKBB CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408559893 WZEXPIDSPGPIHS-UHFFFAOYSA-N 648.635 7.327 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)cc1 408565724 CXHWSYAJAVVYKL-DEOSSOPVSA-N 555.454 6.036 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408576000 XDTWMKSMXNHCLO-DEOSSOPVSA-N 545.448 6.580 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C(=O)O)o2)c1 408632473 JBYYPHQBGABHMU-MSXFZWOLSA-N 565.560 5.467 5 40 KKBB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 408639925 GSWZJGOSQFMUCR-UWDOMVMPSA-N 696.154 5.679 5 40 KKBB Cc1cc(C)cc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)c1 408643478 BFDUAPXEQMKWDW-UHFFFAOYSA-N 505.527 5.213 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408657023 TWTWZJUZFYRXIS-DZUWIXTPSA-N 718.549 7.826 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408831538 VZEQAMVXZHLHIC-KCQXITDRSA-N 668.522 5.055 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408835146 WIQRBWUNQKQGNP-UPWSPCOFSA-N 770.558 5.719 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408842416 OSOMUWINIBQGTD-LLXISZFLSA-N 651.697 5.511 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Br)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1 408927181 VPESTCLRARKFGS-VPHSIRQSSA-N 694.629 6.158 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3cc(Br)ccc3OC)C(C(=O)OC(C)C)=C(C)N=4)o2)c([N+](=O)[O-])c1 408933336 ASAYTHBSZILFMH-IYVASWNSSA-N 668.522 5.135 5 40 KKBB O=C(Nc1ccc2nc(Sc3ccc([C@H]4N[C@H](C(=O)O)CS4)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl 408987066 ACMRGSRNTXWXKP-JTSKRJEESA-N 573.077 6.050 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 408998577 RHXXWYJVUMOMHH-USDTVRPUSA-N 678.561 5.447 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409091168 PXJVCDBNQVPMJI-ZCWBPALNSA-N 698.548 5.145 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409101546 YXXDLHXUKLPTBY-QPJBPQEWSA-N 591.089 5.234 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)cc1 409113367 HOBNSXHPAIDJPG-ZVBGSRNCSA-N 562.387 6.235 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1Cl 409164370 HPJJDONJAMACEJ-LSHDLFTRSA-N 642.986 5.419 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409197984 TVTINPCPOKFJDR-WYMPLXKRSA-N 646.903 6.663 5 40 KKBB COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(Oc5ccccc5)cc([N+](=O)[O-])c4)cc3n2)cc1 666516 IVTHOOAEYBYTIK-UHFFFAOYSA-N 549.465 6.377 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@@H](OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc2)sc2c1CC[C@@H](C)C2 3316443 UKQPTRJSJVQUNI-CMJOXMDJSA-N 557.024 6.148 5 40 KKBB O=C1OC(c2ccccc2)=N/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 12558294 STHNPQDZMKSADU-ULJHMMPZSA-N 502.486 6.052 5 40 KKBB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)ccc3o2)cc1 57313136 CBVZCHFZGIVMLS-UHFFFAOYSA-N 505.983 7.821 5 40 KKBB COc1ccc(C(=O)NC(=S)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)cc1[N+](=O)[O-] 57313553 CLUVDJYVIAKLEO-UHFFFAOYSA-N 521.020 5.127 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 101064304 SXJKNKYNYILGKE-KCIBBDPESA-N 620.459 6.213 5 40 KKBB COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 102979654 MDFUAEVLYTZLFK-KETZHDHUSA-N 602.043 6.875 5 40 KKBB CCc1ccc(C2(c3ccc(CC)cc3)S[C@@]3(SC(C(C)=O)=NN3c3ccccc3[N+](=O)[O-])c3ccccc32)cc1 103768837 XQLQOVCLORZWBT-XIFFEERXSA-N 579.747 8.025 5 40 KKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 105306324 KIAPAPBFLBKYBO-UHFFFAOYSA-N 552.012 5.328 5 40 KKBB O=C(NC(=S)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105307999 GBLBCDCGOGITAC-UHFFFAOYSA-N 532.445 5.208 5 40 KKBB CCCCc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 112253201 WSAQLUPVRYGDCF-UHFFFAOYSA-N 546.045 5.742 5 40 KKBB COc1cc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3C(N4CCN(c5ccc(F)cc5)CC4)=Nc4ccccc4N32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 150482806 NQOFQLSSTPDNDD-RRHRGVEJSA-N 812.884 7.818 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nnc(Cc4cccc5ccccc45)n3C)cc2s1 164652223 QNTIGDIYFPRSBQ-UHFFFAOYSA-N 642.788 7.109 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223918818 KPCGVHHUNHNVOF-GPNASLBKSA-N 697.641 6.652 5 40 KKBB COc1ccc(C[C@H]2C[N@@+](C)(CCC(=O)OCCCCCOC(=O)CC[N@@+]3(C)CCc4cc(OC)c(OC)cc4[C@H]3Cc3ccc(OC)c(OC)c3)Cc3cc(OC)c(OC)cc32)cc1OC 252286794 KVURKGMRRKDFPC-FMARZLAOSA-N 929.161 8.066 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O 260934330 QGRREINCRCDNRE-GDLZYMKVSA-N 691.634 5.765 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408571160 NXRWRGUNMFGJAK-VWLOTQADSA-N 652.398 8.041 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl 408574427 UUMNQGJPGSCLDP-HSZRJFAPSA-N 624.344 7.343 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)cc1 408577463 ZOZORXBSPNTKSF-RUZDIDTESA-N 508.575 5.803 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 408820613 YWSHTJRGBCVBKU-QRVIBDJDSA-N 555.406 6.576 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c2=O)=N1 408825518 CUTKAZTXIDUGRI-FABFSAKGSA-N 641.677 6.048 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1cccc2ccccc12 408869344 BZYHQOSNOOGDAY-PKYOQBLNSA-N 579.634 5.428 5 40 KKBB O=C1S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 409189733 SCHFYNYSYWKZTC-RGVLZGJSSA-N 535.792 7.375 5 40 KKBB COc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409192926 GEENHXRYWGRBFH-FDNFKXOSSA-N 539.327 5.874 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 409192990 HSXOALAWIAWIFL-LRAMOIDDSA-N 758.065 6.612 5 40 KKBB O=c1/c(=C/c2ccccc2OCc2ccccc2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 1884133 XSSWDKWAFVENEA-GONGWJOBSA-N 571.658 5.806 5 40 KKBB CC(=O)c1sc2c(c1OC(=O)c1cccc([N+](=O)[O-])c1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 2180850 ABFBYHFFQYRQMA-UHFFFAOYSA-N 543.582 5.902 5 40 KKBB Cc1cccc(N2C(=O)c3cc(I)ccc3N[C@H]2c2ccc([N+](=O)[O-])c(Cl)c2)c1 2744847 RCBYWXHBXCIFID-HXUWFJFHSA-N 519.726 5.932 5 40 KKBB COc1ccc(-c2csc3nc4c5ccccc5c(SCc5ccccc5)nn4c(=O)c23)cc1OC 3267711 KQIGOBPBTOLMGO-UHFFFAOYSA-N 511.628 6.434 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccc(Cl)cc1 8448086 YTNAZQJJTSHCBB-RMKNXTFCSA-N 519.682 5.315 5 40 KKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@@H](c1cccc(Br)c1)N1C(=N2)C(=O)Nc2ccccc21 8684728 HYDMFUZHGGQSQC-JOCHJYFZSA-N 529.354 5.443 5 40 KKBB COc1cc2c(O)nc3c(C(=O)N[C@H](C)CCCC(C)C)c4nc5ccccc5nc4n3c2cc1OC 11692066 IHDQFEOACGLWEE-MRXNPFEDSA-N 501.587 5.251 5 40 KKBB CCCCCCc1cc2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)/c(=N/Nc3ccc([N+](=O)[O-])cc3)oc2cc1O 100165304 PYUYBQACXCYDQY-IYOYZZHUSA-N 585.642 7.796 5 40 KKBB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 102928455 HHMRITMBLAENFJ-VFKLIDAISA-N 609.642 8.155 5 40 KKBB Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1cc2ccccc2o1 105304658 OAZCPNKCDPYKHW-UHFFFAOYSA-N 540.557 6.289 5 40 KKBB COc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1cccs1 105314881 MQJSBOBOBXWLIG-UHFFFAOYSA-N 522.564 5.304 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 150653172 QEJZTYOUXZYPKY-IPAKXIGBSA-N 682.582 6.299 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1Cl 163916254 ZXENXYJPYPDBLG-UPWSPCOFSA-N 665.080 5.459 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCc1ccccc1 214897357 AJFDEUSKXLRRSI-OEAKJJBVSA-N 616.433 6.414 5 40 KKBB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224402518 APIPRPVDDXECJU-VWLOTQADSA-N 607.516 5.040 5 40 KKBB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CC1 224765908 HASQYPPCVWUYBP-VSGBNLITSA-N 541.702 7.071 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)c1ccc3c(c1)OCO3)[C@@]21C(=O)Nc2ccccc21 248342027 XHWJKRPGZBPKRW-OLBUMSFYSA-N 599.599 5.570 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1 253567961 KRXZLDFRNGSCHJ-BMPBIMJCSA-N 630.700 7.401 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1cccc(F)c1 408577236 YTYFIJNGLHCHHY-QHCPKHFHSA-N 573.444 6.175 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1)c1ccc([N+](=O)[O-])cc1 408637920 NZDNDDFMUFUEQC-QHCPKHFHSA-N 536.540 5.833 5 40 KKBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3-c3ccccc3)cc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408639152 VONASHDFZJKZMX-HHHXNRCGSA-N 628.637 7.625 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1C 408649671 YXCVSGODWFTIKK-SXYAGZLHSA-N 680.155 5.898 5 40 KKBB COc1ccc([C@@H]2C=C3c4c(ccc5ccccc45)OC(=O)[C@@H]3[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]23)cc1 408732568 RVVMAVWXMYEPDE-WBWZXODPSA-N 560.562 5.587 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408735323 QTSITOXIXLFKGA-FJNIOPPGSA-N 674.688 5.204 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 408786955 YNVIEVFJZWGATC-MDINZUHSSA-N 724.235 7.208 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408826204 CIPQOEVRTREGRJ-IZBTWGKQSA-N 848.819 6.848 5 40 KKBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 408841540 JPBJYXKKDJDTKF-YIDORKBYSA-N 662.680 5.945 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1 408927701 XDZCJGGLMBWKNT-PKYOQBLNSA-N 615.733 5.396 5 40 KKBB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409010121 JPPMGJARSLVVOG-SGEFVQMOSA-N 570.259 6.534 5 40 KKBB CC(C)COc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409113441 AVUZWNYJIKUGGR-HKBQPEDESA-N 521.617 6.991 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)ccc1Cl 409152298 JZSCCHXBCCUVHL-DHRITJCHSA-N 678.041 7.691 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccc(I)cc1 409264070 KNDKBNHEPOBIJM-CFRMEGHHSA-N 638.443 5.877 5 40 KKBB CCn1c(CSCc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409359333 ITTFTJSROLDAEU-UHFFFAOYSA-N 546.889 6.331 5 40 KKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1900931 YEGMTAYBWGUJLI-UHFFFAOYSA-N 510.941 5.510 5 40 KKBB COc1cccc(NC(=O)CSc2nc3cc(C(=O)NCc4ccccc4)ccc3c3nc4ccccc4n23)c1 2959493 IAGDYKDJFYLKCT-UHFFFAOYSA-N 547.640 5.705 5 40 KKBB COc1cccc(N(C(=O)COc2ccc(Cl)cc2C)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 3359764 OOGIRXZFXAJKDD-UHFFFAOYSA-N 509.971 6.432 5 40 KKBB Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 9201563 VWYJQAHYTJNNRX-UHFFFAOYSA-N 505.324 5.921 5 40 KKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)nc2c1 22843980 BXDAATRVZZGIDE-CQSZACIVSA-N 519.539 5.952 5 40 KKBB Cc1c(Cl)ccc2c(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc(-c3ccc(Br)cc3)nc12 97945958 UGAZABYQVBURSE-UHFFFAOYSA-N 539.769 6.574 5 40 KKBB COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4c(-c5ccccc5)cnc5ccccc45)nc3c2)cc1[N+](=O)[O-] 97948498 NSOKDKGWQYDCDM-UHFFFAOYSA-N 575.606 6.754 5 40 KKBB C[C@@H](Sc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 103082885 WRBQHVWVZJSWEH-MRXNPFEDSA-N 569.108 6.260 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 112244681 AWYRDDPXZVQLLL-UHFFFAOYSA-N 573.380 6.017 5 40 KKBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n31)c1ccccc1CC2 139950593 WROGOUXZYQEWJR-UNDLXJOSSA-N 561.619 5.496 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223337633 ATFKWGWLDGHKFQ-YTTGMZPUSA-N 679.195 5.537 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)o1 223953676 KJSYQTLINWXVHX-NSOVKSMOSA-N 557.632 5.272 5 40 KKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224302171 SLZBVFMQKMSRLT-LJAQVGFWSA-N 657.189 5.627 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224415853 QAQVLUKBCQAGOK-VWLOTQADSA-N 538.442 5.066 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224476522 CPNXKEDEWVOUFH-JGCGQSQUSA-N 762.112 7.234 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224503226 OPIBWHDBPDIPPW-XIFFEERXSA-N 751.700 6.424 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260782276 KSISPKGJTKTVQM-OAQYLSRUSA-N 677.607 5.890 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260996139 DKXPZBKYRBKOHJ-JKFCTSDTSA-N 690.794 5.801 5 40 KKBB Cc1ccc(COc2ccc(Br)cc2[C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1 408575018 VMPCZCIIFOWISG-XMMPIXPASA-N 557.445 6.475 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408645515 SKCMQDMQTOPFTM-UHFFFAOYSA-N 756.165 8.271 5 40 KKBB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 408924498 JIKPDFMWIGQQOL-LGUFXXKBSA-N 543.601 5.892 5 40 KKBB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cc(Cl)c(Br)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408988887 SNFNLHLSDPDIST-XQAWFANUSA-N 672.941 5.780 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408990782 LZWZFOWNBACTEZ-UZQLGSGDSA-N 770.911 9.092 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1 409090697 NLGCUHHVIJGUSU-PYCBVSLESA-N 606.660 5.359 5 40 KKBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n[nH]1 409162817 IEYZISUDAHQSBN-HXUWFJFHSA-N 572.072 5.348 5 40 KKBB Cc1ccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409182741 NKLDIICKNGBLQC-UHFFFAOYSA-N 605.386 6.843 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)cc1 409241690 SZFYPHXKGKSWPO-YDZHTSKRSA-N 645.431 5.462 5 40 KKBB Cc1ccc(C(C)C)c(Oc2cc(NC(=O)c3cnn4c3N[C@H](c3cccs3)C[C@@H]4C(F)(F)F)cc([N+](=O)[O-])c2)c1 2755283 ULWAOZOHXJLMQM-WIOPSUGQSA-N 585.608 7.990 5 40 KKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nc4ccc(N)cc4s3)cc2s1 3671441 PWZJRNAVGUKOCP-UHFFFAOYSA-N 569.715 6.428 5 40 KKBB O=C1NC(=S)N/C1=C/c1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 4180191 KZVBCTHFSRFDKR-VZUCSPMQSA-N 567.137 5.276 5 40 KKBB CCOC(=O)c1c(-c2ccccc2)oc2c1cc(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc12 8765723 AVIQCQPKPUAMMT-UHFFFAOYSA-N 516.531 6.139 5 40 KKBB C[C@@H](CCc1ccccc1)Nc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 8818264 WGQYOEKOSSUXDG-FQEVSTJZSA-N 529.062 5.192 5 40 KKBB COc1cc2nc(-c3ccc4c(c3)C(=O)N(c3ccc(Sc5ccc([N+](=O)[O-])cc5)cc3)C4=O)oc(=O)c2cc1OC 98002556 CXOYRIYHBOBHGP-UHFFFAOYSA-N 581.562 5.732 5 40 KKBB CC(C)(C)c1ccc(-c2nc3oc4ccc(Br)cc4c(=O)c3c(=O)n2CCc2ccccc2)cc1 98049037 YYHBOEMXENIDJX-UHFFFAOYSA-N 529.434 6.473 5 40 KKBB C1=CC2=C(c3ccccc3)C3=NC(=C(c4ccccc4)C4=NC(=C(c5ccccc5)C5=NC(=C(c6ccccc6)C1=N2)C=C5)C=C4)C=C3 100032339 ASQZPNGAQXZRMQ-UHFFFAOYSA-N 612.736 9.688 5 40 KKBB Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc1)C2=O 100346374 KQJUGYUJPUOGPA-SSEXGKCCSA-N 571.545 6.033 5 40 KKBB COc1cccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 106740589 SNAXTIYLHCXQTD-NHDPSOOVSA-N 552.477 5.449 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 109975339 LFAGUAGRUXAMIM-PRLWALMFSA-N 571.655 5.398 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)c([N+](=O)[O-])c1 111472867 KTXBMKCPYKIHQL-USDTVRPUSA-N 610.623 5.190 5 40 KKBB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5cc([N+](=O)[O-])c(N6CC6)c([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@@]21C 118928460 XQUAXGTVSUXCHW-NRMYGQARSA-N 621.819 8.890 5 40 KKBB O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163225815 WQZSHEFKGBTNLS-OIUASMPBSA-N 681.524 6.690 5 40 KKBB Cc1ccc(-c2csc(NC(=O)CSc3nnc([C@@H](NC(=O)c4cccc([N+](=O)[O-])c4)C(C)C)n3C)n2)cc1 166334839 MIAWJNHILMHNGQ-QFIPXVFZSA-N 565.681 5.013 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225627154 YJCUCCTWMNPDRG-MUUNZHRXSA-N 649.597 5.532 5 40 KKBB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@@]4(C)[C@@H]3CC[C@@]12C 257349439 OCFIZNAHQQAOPE-ZEUKCDBLSA-N 596.809 9.396 5 40 KKBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cccc1[N+](=O)[O-] 408550155 ALJXVJYXGOLECV-UHFFFAOYSA-N 510.355 5.028 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl 408575035 VQNMKDHLYJGEJM-DCNYXLTISA-N 607.288 5.912 5 40 KKBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 408663979 YMAFFFYQBHGKPW-NPYONTDKSA-N 571.589 5.036 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)S2)cc1 408777504 AVFTVTXXYLFKDG-PLQXQRLBSA-N 522.539 5.466 5 40 KKBB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 408811804 LZFYLYBSCDPGJR-BKUYFWCQSA-N 588.379 6.028 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408921518 CNBOYGPHUQDCGO-UHAPOFRNSA-N 666.756 5.425 5 40 KKBB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)c(OC)c1 408980757 XDKJIRGCOOMKLW-SJXDCSIJSA-N 657.104 5.713 5 40 KKBB O=C(COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 409003525 SMHFKPPXVWNJKD-MHZLTWQESA-N 601.453 5.643 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409080454 DKGUSCFXKUKXED-GWRYVSOYSA-N 708.587 5.455 5 40 KKBB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n[nH]1 409157882 WPIKYEKJWASUKY-HXUWFJFHSA-N 606.517 6.001 5 40 KKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2ccccc2C1=O 409171576 ABFDTUITSGZCSB-AREMUKBSSA-N 506.470 5.176 5 40 KKBB Cc1ccc(CN2C(=O)N/C(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 409244489 DIBXYKALTWCUGI-WSDLNYQXSA-N 512.349 5.882 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O)N1CCc2ccccc2C1 409380886 BNONDKLJKWMGLE-CFRMEGHHSA-N 598.464 6.102 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)C2=O)o1 409398343 DALSJQOVOKIPDQ-NVMNQCDNSA-N 635.221 5.171 5 40 KKBB COc1ccc(C2=NN(c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 6924900 BEGPHWVBNVKZPI-NDEPHWFRSA-N 535.991 7.223 5 40 KKBB COc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)c4ccccc4n3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 6924905 KZWKIHLFVWOOIW-NDEPHWFRSA-N 535.991 7.223 5 40 KKBB O=[N+]([O-])c1ccc2c3c1C(c1ccccc1)(c1ccccc1)CCN3CCC2(c1ccccc1)c1ccccc1 59475079 KCBLXEXUGHOBKD-UHFFFAOYSA-N 522.648 7.877 5 40 KKBB COc1ccc(-c2csc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)cc1Br 100319289 SDCYUIXXZJUZFJ-UHFFFAOYSA-N 572.260 5.379 5 40 KKBB O=[N+]([O-])c1ccc(Nc2ccccc2OCCOc2ccccc2Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 102101610 GIXUOVILAQUZER-UHFFFAOYSA-N 576.478 6.264 5 40 KKBB O=C(Oc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1)c1cccc([N+](=O)[O-])c1 104660142 CAODOCSGSQHGIP-OGMUYLFESA-N 585.641 5.446 5 40 KKBB O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 106015291 NZYFSQLOPMUSLX-OYUWMTPXSA-N 553.502 5.004 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c2=O)=N1 163457095 YEPGQRIQNSCSAQ-HTNWYMAZSA-N 669.800 6.588 5 40 KKBB O=C(C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)SC(c1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccccc12)c1ccccc1 163488118 CEIGETLNAZZYRO-UUWRZZSWSA-N 743.502 9.719 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223111956 CGWKIRAGQBMITJ-NHCUHLMSSA-N 649.141 5.232 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224140062 KRBOUCQLPGHGLQ-FQEVSTJZSA-N 710.047 5.855 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 224479690 MTBKYQPAMXOMIB-RPWUZVMVSA-N 506.971 6.089 5 40 KKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225287591 YXDCEGGQKHCEPK-PMERELPUSA-N 705.661 6.670 5 40 KKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225310414 GGNPYCCTHAUPMB-GDLZYMKVSA-N 580.150 6.570 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225398411 ZAQWBQMMIJZHGL-FCHUYYIVSA-N 661.177 5.101 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260920829 HRASRIGOMVGZQS-PGUFJCEWSA-N 686.831 5.828 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261014406 HHVRDXRHNWZHCS-RBBQXQBVSA-N 776.139 7.622 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 408565224 BIUJZUILSMHZDM-XMMPIXPASA-N 573.900 6.989 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 408569174 JAUSVSFMADEGCW-XMMPIXPASA-N 587.471 6.565 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OC 408570006 KPADRJUJPMHIIK-IBGZPJMESA-N 507.410 5.164 5 40 KKBB Cc1ccc(COc2ccc(Br)cc2[C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1 408570282 KSQQSXBKFAORCY-RUZDIDTESA-N 553.482 6.644 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 408571090 NLEJZRIMVPLFGP-VWLOTQADSA-N 668.397 7.741 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 408571854 PSMBWSKVJQVTSN-XMMPIXPASA-N 528.993 6.066 5 40 KKBB O=[N+]([O-])c1ccc(NCc2cc(Br)cc(Br)c2OCc2ccccc2F)cc1 408610666 RFAJDLQJDQWNRD-UHFFFAOYSA-N 510.157 6.450 5 40 KKBB CCOc1cc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408634759 UBPXCPMSVWLIQG-UCQKPKSFSA-N 552.996 6.229 5 40 KKBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408640975 BURPPFXVWXRWRN-QFIPXVFZSA-N 633.440 6.567 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408686004 QVXCYBMBZWXGAL-SNINSWTHSA-N 624.091 5.599 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccccc1 408768131 CEPRNWRVPYILOI-UDHMSBBDSA-N 601.684 5.815 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408768452 JJAWNUSUNJCRKW-AUTFUCJRSA-N 688.940 5.400 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)c1 408770249 VFYHEIPRFRFDNO-OCDQFKQQSA-N 772.590 6.262 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408825570 DFRIOADEYBZVNO-RWTNITNYSA-N 757.368 6.897 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408945053 WMGRMUIKAXUVFE-YVBHXKDBSA-N 601.681 5.371 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 408982371 DKAUGXXWCFGWPQ-NXYYLBPMSA-N 899.501 6.641 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409096852 GTQXSZXPTLQMNE-PSAPEEBNSA-N 657.148 6.087 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C2=O)cc1 409099099 QDJBSXLZGZXMIC-AFUMVMLFSA-N 563.588 5.256 5 40 KKBB COC(=O)c1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409132993 YWSLIYRFPJBCHC-NDEPHWFRSA-N 507.546 5.743 5 40 KKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409180661 XWLQDVPZRFUVJY-UHFFFAOYSA-N 531.433 6.353 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O 409192111 AHZRPNRJEXFIJV-ORAUUZGKSA-N 643.200 5.991 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)Nc1ccccc1Cl 409248811 RAPTXOQIWVDHMU-WSDLNYQXSA-N 602.850 6.265 5 40 KKBB CCn1c2ccccc2c2cc([P@](=Nc3cc([N+](=O)[O-])ccc3C)(Oc3ccccc3)C(C)(C)C)ccc21 12524605 KGNRHATYTFZACP-LHEWISCISA-N 525.589 8.982 5 40 KKBB COc1ccc(-c2cc(-c3ccc(C)cc3)c3c(N)c(C(=O)Nc4ccc([N+](=O)[O-])cc4C)sc3n2)cc1 97953949 MTOXMIVJPRTVBL-UHFFFAOYSA-N 524.602 6.998 5 40 KKBB C[C@H]1C[C@@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 98050198 IIIBMFAXUHDFLR-RBTNQOKQSA-N 596.108 8.219 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 102928552 NCHSUHDONALJLJ-KVMBAODRSA-N 554.861 8.238 5 40 KKBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1cc(=O)c2ccccc2o1 103108495 ZHAHMBYIYSKUEO-QFIPXVFZSA-N 523.295 5.001 5 40 KKBB COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(Br)c1OC 103791327 DIBRLBXSPNOYEX-JAYSWQADSA-N 604.482 5.007 5 40 KKBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105312227 FTERHDYYCSRZLZ-UHFFFAOYSA-N 535.029 5.909 5 40 KKBB O=C(NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 105315181 GRPQHDXFAAHFQB-UHFFFAOYSA-N 529.578 5.320 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 163625462 AIOICQLTCWOGFC-MFUBYVTQSA-N 740.913 6.383 5 40 KKBB O=C1S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)C(=O)N1Cc1ccccc1 214055067 CWETUZNTYSXEAW-SRZZPIQSSA-N 579.350 7.405 5 40 KKBB O=C1S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1Cl 215136994 MCZOYVBALBYEHP-ZVBGSRNCSA-N 552.889 7.435 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224510636 HTFPXSZPXAGEMM-HHHXNRCGSA-N 726.079 6.934 5 40 KKBB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 224691266 CUVCIYSROWAZRZ-LOYHVIPDSA-N 548.624 7.528 5 40 KKBB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C(C)C 224769852 LZNQUXJAIYGTPO-VSGBNLITSA-N 543.718 7.317 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3Cc3ccccn3)cc2)cc1 224785081 YKNIAFXBBINVAI-WDYNHAJCSA-N 564.696 6.563 5 40 KKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c(OC)c1 224822716 WDWBUQZCCRUXSN-CLJLJLNGSA-N 532.578 5.453 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225288815 NLIXVBNEFOBUNA-WOJBJXKFSA-N 621.543 5.429 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225372078 DNZAOBIUJIGNBB-HHHXNRCGSA-N 554.112 6.038 5 40 KKBB CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@H](O)C[N@+](C)(Cc2ccccc2)C2CCCCC2)cc1 245240286 PRONGAWLQZADHF-HKFHRXRESA-N 510.783 7.136 5 40 KKBB Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 253487794 QHKWHOQKDBIHLI-AOFBEVEVSA-N 590.035 6.413 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408681243 HLZBKDOIKCLYQS-UHFFFAOYSA-N 539.158 6.062 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(Br)c4)c(=O)n32)cc1 408854022 VSSFUTWMCWGSIS-WXKAHTKJSA-N 725.621 6.522 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 408920492 JJOYVNIJIKHQIT-FVUNBJOLSA-N 652.729 5.035 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409016651 VFMBZZIZMHVXJO-WSDLNYQXSA-N 525.920 5.458 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c2=O)=N1 409033820 GCOCUQAULGXZRD-XDYZZPCYSA-N 671.175 6.152 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409036299 QTZRJLNGFQFJSY-OKMHPQNISA-N 799.640 5.695 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccccc1OC 409105928 KBLPRTQJOGKQDI-HDFSHUSISA-N 649.194 5.825 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409143578 CTBGKYMZIFCKIM-BUVRLJJBSA-N 535.534 5.973 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O)Nc1cccc(F)c1 409237028 UZQGGQDZNVGQGO-CVKSISIWSA-N 557.559 6.141 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 409263776 OGBVTOZBJVPMPI-JJFYIABZSA-N 613.402 6.041 5 40 KKBB O=[N+]([O-])c1ccc(C=Cc2ccc([N+](=O)[O-])cc2S(=O)(=O)Oc2ccccc2)c(S(=O)(=O)Oc2ccccc2)c1 2049238510 SUZRYOJAGSEDLY-UHFFFAOYSA-N 582.568 5.209 5 40 KKBB Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 1443146 VDIHPEXKGNFZMN-UHFFFAOYSA-N 524.558 5.599 5 40 KKBB O=C(CCCCCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 2068015 TUDBZINMAYCQBX-UHFFFAOYSA-N 562.189 5.791 5 40 KKBB O=C1S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 3769568 OOBRDJICZRBRIQ-ZMOGYAJESA-N 503.967 6.488 5 40 KKBB Cc1ccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 12659727 OUJFSSPHEXFVAT-SFHVURJKSA-N 514.003 5.038 5 40 KKBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(-c3cc(-c4ccc(F)cc4)co3)cc2)NC(=O)N1 27515745 UTTUKLGJFUFVEZ-AREMUKBSSA-N 512.497 5.928 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(C=CC(c3ccc(Br)cc3)=NN2c2ccccc2)S1 97951121 VFRGDNPQURWOIZ-VWLOTQADSA-N 548.422 5.948 5 40 KKBB Cc1ccc(S(=O)(=O)N(C[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 97951923 PSRUPYSTPPRIPQ-GDLZYMKVSA-N 545.661 5.162 5 40 KKBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 97971190 POAIZWYNQTWSIP-WOKMFYHXSA-N 551.386 7.247 5 40 KKBB O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 100299468 GOTCYONHJJYINO-UHFFFAOYSA-N 532.965 6.102 5 40 KKBB COc1cccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1OCc1ccc(Cl)cc1Cl 100360935 RHMKNGNDYITLJF-SSDVNMTOSA-N 545.400 6.726 5 40 KKBB O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)/C(=C/c2ccc(F)cc2)CCC1 102901827 HIYYGFKEMCPOEG-HLYMYNNUSA-N 541.579 5.669 5 40 KKBB O=c1/c(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 103913427 HEITVZDYDLUJRN-NULZLWRNSA-N 549.583 5.626 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 106452870 VAVXZUQBBRJJHV-KEPJHFNWSA-N 601.681 5.371 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1 163991585 GOVFBCNSIOCVKL-OFRZWCKSSA-N 630.700 7.401 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223385554 PICLZVMNNAQWMS-HXUWFJFHSA-N 621.543 5.431 5 40 KKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224790571 KRSLTUGANRUZTA-MUUNZHRXSA-N 679.623 5.994 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224795464 LFSQZDATDNWMSS-JOCHJYFZSA-N 613.136 5.310 5 40 KKBB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224831088 WXNGHWSGWNSOCN-FQEVSTJZSA-N 651.569 5.357 5 40 KKBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225250754 XDEBTOGQEHVKQC-SSEXGKCCSA-N 559.732 6.225 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1 408571087 NKYVJWBJBHIQJC-HSZRJFAPSA-N 563.894 7.533 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F 408572756 RYPXVBGUZRNCSP-HSZRJFAPSA-N 607.889 6.828 5 40 KKBB COc1ccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408617800 JTYWJYJOJVGWFH-UHFFFAOYSA-N 545.617 5.013 5 40 KKBB CCn1c(S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408630728 APOCQHLFSQEPMB-UCQKPKSFSA-N 536.566 5.677 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408683271 LBAWOICDPAIINS-FZDFQQAASA-N 598.442 6.351 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408735410 ROQUUQDQYNSUEC-SJXDCSIJSA-N 674.688 5.204 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408770631 ZSAQYTHRURYOFS-ONOZBBEISA-N 724.586 5.074 5 40 KKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)S2)cc1 408782087 VPXSYOHAJGZVRC-PNZYDNNZSA-N 540.439 6.098 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408835963 OSBMQTJFOKYQNY-CRCYZHLCSA-N 682.980 6.010 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1 408925501 LLNJHWQXORNHGO-IQPMGOHCSA-N 672.738 6.294 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409029438 AXZVILCSMPWQTJ-UHSYMONFSA-N 687.771 5.480 5 40 KKBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)c2=O)=N1 409034149 GWQUDLQMIBOHCI-KMBIYUNPSA-N 668.953 5.701 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409098928 RJSSYXWJWADILV-LCQSEVKBSA-N 605.116 5.542 5 40 KKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])cc1C 409155543 LPWUFBKYMYYIAG-NHDPSOOVSA-N 511.943 5.800 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409158264 ODNATHMWGZDANH-YDZHTSKRSA-N 693.903 6.506 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1 409170946 XHYBAVPIHAEZTF-SRZZPIQSSA-N 538.469 5.109 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409192113 AJKOSQOFRBGFBY-CCORILLZSA-N 790.110 7.740 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1Cl 409270243 OABFFJOOACZWCJ-SSDVNMTOSA-N 541.969 5.809 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409273710 RLIDKMBMVDGCKF-DHRITJCHSA-N 547.589 5.474 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409352404 CHMQWNFFSOGFAO-CCVBWGSMSA-N 900.327 6.566 5 40 KKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 1307667 KFXBECWPPMHJFR-PKOBYXMFSA-N 563.945 7.211 5 40 KKBB C[C@H]1CCc2sc3c(c2C1)c(=O)n(-c1ccc(Cl)cc1)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n31 1839139 ZQVUHYQCTASDLE-AWEZNQCLSA-N 538.054 6.074 5 40 KKBB CCCCOc1ccc(-c2nc(SCC(=O)c3ccc([N+](=O)[O-])cc3)c3c4c(sc3n2)COC(C)(C)C4)cc1 1869229 HMHZKTWXTXZFTE-UHFFFAOYSA-N 563.701 7.272 5 40 KKBB O=C(COc1ccc(Br)cc1)/N=c1/oc2ccc3ccccc3c2cc1-c1nnc2n1CCCCC2 3165946 LKYUPHXXNKBQPU-SJCQXOIGSA-N 543.421 5.840 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)n1-c1ccccc1 6280769 UJJXYROMLMMPJE-UHFFFAOYSA-N 564.627 6.134 5 40 KKBB Cc1cc(C)c2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 8833160 VSEFTLVRXPQTGK-UHFFFAOYSA-N 515.595 5.747 5 40 KKBB Cc1ccc(-c2nn3c4ccc(NC(=O)CN5C(=O)c6ccccc6C5=O)cc4nc3c3ccccc23)cc1 9057667 ATDCFTRAXOZWSL-UHFFFAOYSA-N 511.541 5.246 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2)n1C 13425489 MEYZMJORQRYCIV-QGZVFWFLSA-N 516.583 5.070 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1)c1ccccc1[N+](=O)[O-] 16449309 GJDATZMNCUCWDB-UHFFFAOYSA-N 508.384 5.225 5 40 KKBB CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3Cl)CC2)cc1 22847448 ZFOWTSDWBOTUJK-UHFFFAOYSA-N 522.989 5.252 5 40 KKBB Cc1cc(CCCOp2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)cc(C(C)(C)C)c1O 95866686 MSXXDBCLAKQJQT-UHFFFAOYSA-N 660.920 12.853 5 40 KKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(Cn5nc(C(F)(F)F)c(Br)c5C)nc34)c12 97945586 CEJDGNWALJROOQ-UHFFFAOYSA-N 532.296 5.468 5 40 KKBB CCCC[C@H](CC)Cn1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(=O)OCC)c2nc3ccccc3nc21 97983749 FNEYCBWDDXVRKJ-KRWDZBQOSA-N 562.583 6.046 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)SC(c1ccccc1C)(c1ccccc1C)c1ccccc12 103768956 VESXPDCZNPVLQT-WJOKGBTCSA-N 551.693 7.517 5 40 KKBB O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1 103769894 ZVQTZHQCLRACRM-UHFFFAOYSA-N 534.796 7.096 5 40 KKBB O=C(NC(=S)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306506 CECWJTPUMYMYDT-UHFFFAOYSA-N 574.446 5.117 5 40 KKBB COc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 105307995 OCXQDOQXGPRNPX-UHFFFAOYSA-N 559.604 5.329 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 106703047 VSYFFTHFAGBKHV-MYYYXRDXSA-N 504.564 6.117 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c2=O)=N1 164176707 NLQYNZJCVIQWRE-PRLWALMFSA-N 682.549 5.526 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 222665346 RVWIEAYZEAGVGH-AREMUKBSSA-N 621.543 5.429 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 224750321 QTOZHFTZHQIBPD-IHLOFXLRSA-N 563.639 6.759 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc(F)c3)cc2)cc1 224781943 LPPHSOKSHIQWHC-FQLXRVMXSA-N 567.671 7.248 5 40 KKBB CC1=C[C@@H]2C[C@@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Oc5ccc([N+](=O)[O-])cc5Cl)cc4)cc3)C(=O)[C@@H]21 226411510 QGAMWNKSVGNEGX-UBIHKCMHSA-N 558.974 6.099 5 40 KKBB O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12 229977073 HZJJTVSUAGHUPD-DZHULAFLSA-N 547.592 5.638 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 230320572 AJPAWSLQFZNEDZ-VVHYXOSJSA-N 705.981 8.744 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 408571089 NLEJZRIMVPLFGP-RUZDIDTESA-N 668.397 7.741 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408574437 UVGDSTVZMNBOPH-DEOSSOPVSA-N 545.448 6.580 5 40 KKBB CCn1c(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)C(=O)O)nnc1-c1ccc(Cl)cc1 408634182 RUIAXZBTAXULKK-HZHRSRAPSA-N 553.065 7.204 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408664978 ZAVUQFSNAFYQGR-GQHLQYEBSA-N 571.973 5.088 5 40 KKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408683608 LSQACUFGNJFSAS-ZYNNUQKQSA-N 702.987 6.361 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 408767301 FOPIHSIBSBTPCO-PNZYDNNZSA-N 596.086 5.000 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)c1 408768603 HOXIMUWLHRYZGP-KFOJKGMOSA-N 741.620 6.141 5 40 KKBB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 408796119 DRQMVMSUYBIPPR-QMJGKYDLSA-N 523.034 7.562 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(C)cc1 408836806 VTXKEWNJUKNZMO-FQKMCRJQSA-N 774.431 5.961 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)ccc1Cl 409151466 BOCNJCTWZWREDA-NVMNQCDNSA-N 538.365 5.143 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@@H]1c1ccc(SC)cc1 409192481 DDPNTMLHCZYOOG-PQRKSKNISA-N 733.297 6.511 5 40 KKBB Nc1ccc(-c2cc3c4cc(-c5ccc(N)cc5)c(-c5ccc(N)cc5)cc4c4cc(-c5ccc(N)cc5)c(-c5ccc(N)cc5)cc4c3cc2-c2ccc(N)cc2)cc1 2048532829 UBWBEBPEAWLAOY-UHFFFAOYSA-N 774.972 12.641 5 40 KKBB COc1c(Cl)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccc(C(C)C)cc4)c3)CC2)cc1Cl 6077023 ZZOPZLYICGQPES-UHFFFAOYSA-N 557.478 6.608 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)c3ccccc3F)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 8443046 XQIAOKSHUYHPTO-HFESIUDZSA-N 506.622 5.713 5 40 KKBB Cc1ccc2nc(-c3ccc(N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)cc3)cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2c1 100395970 PACCGPUMUMRRQJ-JWQCQUIFSA-N 575.577 5.614 5 40 KKBB COc1ccc(CCn2c(-c3ccc(C(C)(C)C)cc3)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1OC 102581413 BETYWTUZHFBIIT-UHFFFAOYSA-N 589.486 6.490 5 40 KKBB O=[N+]([O-])c1ccc(N=[P@](c2ccccc2)([C@H]2CCCC=C2N2CCOCC2)N2CCN(c3ccccc3)CC2)cc1 102919373 FYXDJQFXSRYRLG-KMAYNHJMSA-N 571.662 6.259 5 40 KKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 105303556 CCTKGPCKBZZDJV-SOFGYWHQSA-N 531.421 5.398 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 105314472 NQIITAWUDSMZFA-UHFFFAOYSA-N 594.097 5.288 5 40 KKBB Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1C 106739411 BHLJQJOAUTXKGH-OYKKKHCWSA-N 517.563 5.466 5 40 KKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1c(Cl)cccc1Cl 214709014 MRZGZGPWKMGHQG-WSDLNYQXSA-N 515.374 6.717 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccccn1 215015887 SXIWFGODAFEOEJ-CIAFOILYSA-N 556.394 5.576 5 40 KKBB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223539261 GTNNLAMONIEOGG-QHCPKHFHSA-N 645.178 5.137 5 40 KKBB CN(C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 224781283 XVESCZRPHVNMAD-IOWSJCHKSA-N 592.750 7.175 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccc(Br)cc4F)o3)cc2)cc1 224788487 XMZYJTOLFHJGQV-URLMMPGGSA-N 647.551 8.480 5 40 KKBB Cc1cc(C(=O)O)ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224789021 NKBCIVXMVRWZPV-IHLOFXLRSA-N 608.701 7.585 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225682057 FVDDCPBZDIBNNF-RXFWQSSRSA-N 714.068 6.789 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccc(Cl)cc1)[C@@]21C(=O)Nc2ccccc21 229927276 PNPZEWJZMSIVKO-DCMQHHMNSA-N 590.035 6.494 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)n1-c1ccccc1 408566592 FRAPYZNXWPQZBT-HSZRJFAPSA-N 525.974 5.826 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408640455 HZQXAKABUAERSQ-ZRZAMGCNSA-N 624.433 5.536 5 40 KKBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(Cl)cc3Cl)c2=O)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408733291 XALNLMWSZNAFKT-HWMKKPCCSA-N 668.555 6.100 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1OCC 408933124 HTKAKUAJLKZMHQ-WMMGVEBASA-N 652.729 5.035 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409098656 RANIPJZLRPSTJD-AYMIJMNYSA-N 697.820 5.521 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)ccc1Cl 409156867 MDMDQOWYOPRDDP-WYMPLXKRSA-N 612.016 5.297 5 40 KKBB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])[C@@]1(c3ccc(Cl)cc3)C(=O)[C@@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 409172461 IRZBHBOYOJFMIN-KXANFNGZSA-N 689.526 8.230 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc(I)cc1 409348958 UELDVWBUNUYNFT-YBFXNURJSA-N 575.340 5.134 5 40 KKBB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 409380976 CMZVVUDOHCYTNE-UXHICEINSA-N 614.407 5.107 5 40 KKBB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-] 8686878 JPTIVFVHGKPGPT-SFHVURJKSA-N 533.562 5.041 5 40 KKBB COc1ccc(CCn2c(-c3ccc(C(C)(C)C)cc3)nc3oc4ccccc4c(=O)c3c2=O)cc1OC 8836290 XQEJALVHANIWEN-UHFFFAOYSA-N 510.590 5.727 5 40 KKBB O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8900015 QUNTXZGYXXAUDK-UHFFFAOYSA-N 504.546 6.923 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(c1ccc(Cl)cc1)=NN2c1ccccc1 33355201 XXAJFFPWRNSKLM-GDLZYMKVSA-N 554.031 6.787 5 40 KKBB O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccccc1)C1=C(N=2)/C(=C/c2ccccc2)CCC1 67191220 XEDBYECHYHTNLN-HGEFOKHXSA-N 505.599 5.391 5 40 KKBB CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 97948698 UPONLZMEUBWETI-UHFFFAOYSA-N 594.912 6.426 5 40 KKBB O=c1c2cc(I)ccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccc2ccccc2c1 100992389 UZQGVQQLMARBMI-MDWZMJQESA-N 545.336 6.222 5 40 KKBB CC1=C[C@@H]2N(c3ccc(C)cc31)[C@H](C(=O)c1ccccc1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21 101359821 DALZFEOJMMDWHB-XYIJYTLJSA-N 569.617 6.149 5 40 KKBB CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3O)nc2c1 105308029 XAPYTDJMXBTSOC-UHFFFAOYSA-N 545.621 5.959 5 40 KKBB COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 106680696 FEBIUYDKWPTVDM-UUYOSTAYSA-N 507.480 5.540 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106685017 DODXHQBQYPFUAU-MTJSOVHGSA-N 511.943 6.071 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccncc1 106740997 IITQBWMWQICAGO-MTJSOVHGSA-N 556.394 5.576 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2)cc1 112229278 SYEHEKKKGNVHEM-UHFFFAOYSA-N 545.665 5.872 5 40 KKBB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 112246829 ZWXCOJYGEQSLEL-UHFFFAOYSA-N 550.036 6.513 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224537517 IMWNSIUFOSRSTI-VWLOTQADSA-N 528.436 5.610 5 40 KKBB COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 224759284 WCHNSMXHDLXXFP-XZWHSSHBSA-N 564.623 7.228 5 40 KKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225160525 DDKIFVNAOMZYSS-XMMPIXPASA-N 518.079 5.738 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247300377 DUONHBGHQMEVTO-YCAMKHIRSA-N 534.355 5.300 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261112005 XZOACNDJFDEEOI-NYFMKLKXSA-N 707.249 6.315 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2cccc(F)c2)c1 408576550 XRHYDJFCGWDWKA-XMMPIXPASA-N 557.445 6.475 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)c(OC)c2)cc1 408577377 ZCNSJVJWMZIZII-SANMLTNESA-N 520.611 5.672 5 40 KKBB Cc1c(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 408588405 WANQKMUXPOSVRI-UHFFFAOYSA-N 587.279 5.802 5 40 KKBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408642333 MWCLSTHMPSRGPP-DHIUTWEWSA-N 561.978 5.456 5 40 KKBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408650670 MQEDYYLVNUPDOP-CYJHHTLLSA-N 585.616 5.506 5 40 KKBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]21 408653889 QBRFIGUIZRUENV-MROGCYOMSA-N 608.434 6.131 5 40 KKBB CC(C)(C)c1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 408670956 XUNGBWSWOXWJPM-LJQANCHMSA-N 531.565 5.219 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408840120 XQFPCEZVEOAALA-CPNJWEJPSA-N 548.960 6.425 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c2=O)=N1 408873671 URAQRBIPEMZCFQ-SJXDCSIJSA-N 631.707 5.381 5 40 KKBB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n21 408949833 SFDMVMJIANCMBY-ZFWDJNJRSA-N 672.941 5.780 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409153876 IYFGAKSDZCXAIV-ZMOGYAJESA-N 578.559 5.677 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)ccc1Cl 409160637 VFLOGZPRETZVAB-WSDLNYQXSA-N 648.875 6.513 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c(C)c1 409181892 GMNJDPDPGGKMCE-ZVHZXABRSA-N 517.563 5.466 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)Nc1ccc(I)cc1 409250376 KOSMLTGTNDFQIF-NHDPSOOVSA-N 646.375 5.575 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(Br)c3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2=O)o1 409408683 KSSQLNWIPMGCAF-JNJFRLMHSA-N 675.242 5.211 5 40 KKBB CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C 504276153 NZCRJKRKKOLAOJ-OQVISHICSA-N 785.891 6.158 5 40 KKBB CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 2147782 JQBYQHSTUUAWQB-DEOSSOPVSA-N 523.607 5.014 5 40 KKBB biogenic COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 4198845 JFXBEKISTKFVAB-ACHIHNKUSA-N 652.832 7.452 5 40 KKBB biogenic CC1(C)C[C@@]2(C)C=C3CC(C)(C)C(COC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)=C3[C@@](COC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)(C1)C2 8385095 LWURPXALZXSISF-SAIUNTKASA-N 678.651 7.203 5 40 KKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 22278313 STSZMYDIGJZEEQ-UHFFFAOYSA-N 503.536 5.221 5 40 KKBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCSCc1ccc(Cl)c(Cl)c1 59884784 DAAFSDPDFCZKKC-UHFFFAOYSA-N 554.477 5.147 5 40 KKBB CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@]2(S1)c1ccccc1C(c1ccc(C(C)C)cc1)=NN2c1ccccc1 97999433 FRNWDZQXLJBDOA-XIFFEERXSA-N 591.693 7.231 5 40 KKBB O=C(COC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 100396994 QGDRADQOWDZTFJ-UHFFFAOYSA-N 538.943 7.295 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@]1(c3ccccc3)C(=O)[C@]2(c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 100969679 FPGOEXLAEHZMDK-MAWVDPEJSA-N 604.662 6.740 5 40 KKBB CCOc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 102156025 GGTNJFFKTJXNLZ-QLXKLKPCSA-N 580.663 7.726 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(CCCC2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 103753713 NSOMJHIQESNYKK-UHFFFAOYSA-N 588.549 7.844 5 40 KKBB CCOc1ccc(C(=O)NC(=S)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)cc1[N+](=O)[O-] 105355460 ADJGKNLDINATAW-UHFFFAOYSA-N 535.047 5.517 5 40 KKBB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2=O)cc1 105790780 XSUMLPOZXOCJPB-HZFUHODCSA-N 555.612 6.163 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc(OC)c1 150395122 NLASFVFWYZLGIS-OINPTKSXSA-N 642.089 5.766 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 150395686 AFEUNGOQMHDEJL-JDDPAHLESA-N 692.602 7.133 5 40 KKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223323180 LBTIIFCCSXHCLY-SANMLTNESA-N 601.125 5.166 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223548612 NDOVHZLZYYGXPA-RUZDIDTESA-N 570.509 5.367 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223805206 XZDBLHBAMWPDPM-IDISGSTGSA-N 598.563 6.145 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224774536 NPROBWYKULYQNF-DHUJRADRSA-N 684.815 5.806 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2Cl)CC1 225004081 SNIUOVKOLSUWQL-FQLXRVMXSA-N 574.106 7.317 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261045333 LFKZJMXJDVJYMI-HPMVVLTCSA-N 725.239 6.454 5 40 KKBB Cc1noc(/C=C\c2cc(I)c(OCc3ccccc3)c(I)c2)c1[N+](=O)[O-] 408545390 YLGRQXJIQQQJOD-FPLPWBNLSA-N 588.139 5.850 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 408565719 CWNLGSAXTOSEPW-XMMPIXPASA-N 573.444 6.175 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 408568210 HXDVLTWNFSVGHY-DEOSSOPVSA-N 603.926 7.079 5 40 KKBB C[C@H](NC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)N[C@@H](C)c4ccccc4)c3cc12)c1ccccc1 408720545 UCALUVFLTQBFEV-NSOVKSMOSA-N 626.760 9.099 5 40 KKBB O=c1/c(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 408757323 MAMUBVLRBFSAMO-HZHHUVPKSA-N 650.554 6.568 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408773913 MYIXDGSQKAHFMK-KMCFWPMWSA-N 791.595 6.175 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)cc2)n2c(s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c2=O)=N1 408828582 IABCDJITQTXTNR-JLKMOJGBSA-N 590.661 5.659 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl 408838364 DTOUNKAKIZPCJD-GIJQJNRQSA-N 673.939 8.947 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 408868483 OOJHDHNLYADILH-JMIUGGIZSA-N 581.912 6.211 5 40 KKBB O=C1S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1CCc1ccccc1 409005998 IBCCFOMJRVALLL-HMAPJEAMSA-N 618.303 6.978 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409174283 QRBYHHZVOUWTRB-UHFFFAOYSA-N 693.587 6.162 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 409192303 CFNHGHTYGRZZNF-XIHDXPBISA-N 767.673 6.357 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nnc(-c4cccc(Cl)c4)n3CC)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409193243 HWGGFXHLEGXKJG-VPHSIRQSSA-N 751.674 6.452 5 40 KKBB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409194063 MZPRFEMAQOGBGI-CIAFOILYSA-N 531.373 6.730 5 40 KKBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409236585 TUOLDAWMSXNUAY-YDZHTSKRSA-N 609.433 5.039 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409274057 UOCXPTCDEMXKSC-FOKLQQMPSA-N 569.935 5.877 5 40 KKBB CN(Cc1ccccc1)C(=O)CCC(=O)[C@H]1CC(C)(C)[C@@H]1CCc1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 643588505 XJQIGQMTGUUJNA-LOSJGSFVSA-N 502.615 5.588 5 40 KKBB O=[N+]([O-])c1ccc(C2=C[C@@H]3CCCC[C@@H]3C3=C2O[P@@](=O)(NS(=O)(=O)C(F)(F)F)Oc2c(-c4ccc([N+](=O)[O-])cc4)cc4c(c23)CCCC4)cc1 2237365268 UYPHZKYCFKLVHC-LTLDDJJCSA-N 731.642 8.620 5 40 KKBB CC1(C)Cc2c(sc3nc(SCc4ccccc4)n4c(SCc5ccc([N+](=O)[O-])cc5)nnc4c23)CO1 1846493 LFKZJSFSNNWQJJ-UHFFFAOYSA-N 549.703 6.683 5 40 KKBB CCCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1CC 3346463 XSYZXXGRXCCBCJ-INIZCTEOSA-N 518.595 5.965 5 40 KKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(Br)c3ccccc3C2(Br)c2ccccc21 68583023 VGJLTZJDWUGPKF-CSKPTYFESA-N 554.194 5.005 5 40 KKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc(OC)c1OC 79192606 HJSWWINUELNKII-UHFFFAOYSA-N 517.582 6.308 5 40 KKBB biogenic O=[N+]([O-])c1cccc(C2=NN(c3nc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4)cs3)[C@H](c3ccc(F)cc3)C2)c1 97966073 AWSXJYQYMKLULM-NDEPHWFRSA-N 591.690 6.388 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)cc2[N+](=O)[O-])cc1 100368488 PRIYIORYVWEZHP-MYYYXRDXSA-N 545.642 5.676 5 40 KKBB C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 102975760 JHLCHDCDQDOPPG-INIZCTEOSA-N 576.612 5.279 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1cccs1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21 103554052 PPCVFMUUBPASDY-IDSQFFPFSA-N 561.619 5.903 5 40 KKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CCC(CC2CCC(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)CC1 104105891 XZLFUBXWVWAUCT-LQGKIZFRSA-N 560.651 5.970 5 40 KKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105312062 MRBDUVNHDQIANF-UHFFFAOYSA-N 535.006 6.912 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1cccc2c(Br)cccc12 106349448 CDMSHVZTPIAZFA-UHFFFAOYSA-N 582.524 5.338 5 40 KKBB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2OC)sc2c1CCCC2 150391027 SNQYDUZQKLKPHK-SFHVURJKSA-N 664.766 5.350 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 150396287 XIAJYQXCTFCRIK-QZVQSRICSA-N 649.725 6.236 5 40 KKBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4cc(Br)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n31)c1ccccc1CC2 163191892 DWJWYTXQTAHAJW-DBHVVYFFSA-N 741.576 6.707 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c2=O)=N1 163467224 UXBVWBDSNKVJKB-ISZRBDKASA-N 781.669 6.802 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 163741055 WXEMZTLHEMLRGS-VEOKEAFVSA-N 665.724 5.456 5 40 KKBB C[C@@H]1C[C@@H](N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 163936443 AVMMTHFOWFBPDJ-WXTAPIANSA-N 717.612 10.066 5 40 KKBB COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 222825127 WIKSBWJOWSJQTR-AREMUKBSSA-N 598.494 5.157 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224935823 WMEDAWFMZDKDIG-WJOKGBTCSA-N 632.714 5.094 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225151248 HAYCOBNIPUUPDE-LEWJYISDSA-N 665.596 5.746 5 40 KKBB Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 225583032 NTYKSRJVWGXQLG-SVBPBHIXSA-N 527.606 5.560 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 225635689 PISARYVYZUXWTO-WUFINQPMSA-N 540.649 5.399 5 40 KKBB C[C@H]1C[C@@H](C)CN(c2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)C1 260924247 SOYMDDDNYJLTRR-NELHGCTQSA-N 588.133 7.563 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261068332 PFSULFHBPZAHND-XDCSYDRFSA-N 741.694 6.969 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccc(F)cc1 408564966 AUPYDTVEMUGWTD-QHCPKHFHSA-N 561.408 6.306 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408567144 GOZQTCAILDLRTH-HXUWFJFHSA-N 526.343 5.835 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccccc2)n1-c1ccc(F)cc1 408571880 PTMAUCGAZPBJSG-HSZRJFAPSA-N 543.418 6.166 5 40 KKBB COc1cc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c([N+](=O)[O-])cc1OCc1ccccc1 408631680 AISPIJKRANZWCY-UUYOSTAYSA-N 538.969 5.839 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c2=O)=N1 409032262 BYDUHGPYJXNXMX-QPJBPQEWSA-N 652.523 5.518 5 40 KKBB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)cc1 409082362 IZBFDKDFOQIEJB-PYCBVSLESA-N 606.660 5.359 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409100702 WDKBXBGPNZICME-KBUNQKSPSA-N 773.915 8.298 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1 409104366 YHUODQBRXLGLMW-RGDUZTMSSA-N 659.790 5.565 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409108791 ZCIDNAJUUIADCE-GSTVVXAASA-N 654.192 5.977 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccc(OCc3ccccc3)c2)N1Cc1ccccc1 409117896 MBDPZPGXWKBSMZ-UMSFTDKQSA-N 555.634 7.535 5 40 KKBB CCCc1sc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n(-c3ccc(CC)cc3)c(=O)c2c1C 409125836 BCRNPWLOBJCUCG-UHFFFAOYSA-N 533.597 7.349 5 40 KKBB CC(C)c1cc(I)ccc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C 409127350 JETMHYBALUZYDY-JOCHJYFZSA-N 636.516 5.309 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cc2)cc1 409183233 SWQVBNRTEAVEQL-UHFFFAOYSA-N 545.931 6.608 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409224936 OACBXKMTEWFZJR-AUEPDCJTSA-N 639.967 7.272 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 409249624 KAVYSQLRFLWISU-ZMOGYAJESA-N 678.888 6.750 5 40 KKBB CCCC[C@H](CC)Cn1c(=O)c2cc(-c3ccc(Br)s3)c3c(=O)n(C[C@H](CC)CCCC)c(=O)c4cc(-c5ccc(Br)s5)c(c1=O)c2c43 1776010854 DTTOXIQTFZBNDH-SZPZYZBQSA-N 812.690 10.480 5 40 KKBB COc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)cc1 3117580 UZZYGALYOVZNCP-UHFFFAOYSA-N 500.363 6.953 5 40 KKBB Cc1csc(Sc2ccc(C(=O)OCC(=O)c3c(-c4ccccc4)n(C)c4ccccc34)cc2[N+](=O)[O-])n1 3279481 WBFJYMHMQDNBFW-UHFFFAOYSA-N 543.626 6.709 5 40 KKBB Cc1cc(C(=O)COC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1Cc1ccco1 3369664 CBWNYSRRKPHJRV-UHFFFAOYSA-N 558.534 6.864 5 40 KKBB C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)N3c4ccccc4Sc4ccccc43)cc2[N+](=O)[O-])C1 8687745 HBSJCHRYYQZXGZ-SFHVURJKSA-N 503.580 5.817 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4cccc(Br)c4)C3=O)cc2[N+](=O)[O-])cc1 100367724 RFRFVAVCRRRYSM-XKZIYDEJSA-N 541.448 7.053 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2nn(CC)cc2[N+](=O)[O-])[C@H]3c2ccc(OCC)cc2)cc1 101994372 JIZBZIOCNVYPER-QOVBDYBJSA-N 543.624 6.045 5 40 KKBB O=C(c1ccccc1)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccco1 102527538 OMNFCTJKSGXYMP-KCWXNJEJSA-N 505.530 7.052 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C2=O)cc1 102859624 MTYNENLYGAFTQZ-YPKYBTACSA-N 623.618 5.663 5 40 KKBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1-c1nc2ccccc2s1 103094151 JFGXOURJHXYJNS-VWLOTQADSA-N 588.439 7.171 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 103099407 MNOUDQPEHUVYCG-UHFFFAOYSA-N 537.682 5.410 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(c2c(C)nn(-c3ccccc3)c2O)c2c(C)nn(-c3ccccc3)c2O)o1 108423484 BFSXXWSWWVTKNL-UHFFFAOYSA-N 561.598 6.743 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 150395649 RGDHKXMCXLQUNJ-KMCFWPMWSA-N 667.696 5.130 5 40 KKBB O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 164099288 GEUYSUWZTQTQCV-HWMKKPCCSA-N 618.473 6.933 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 222808344 RRWWFJPTFDBNMY-UMSFTDKQSA-N 751.700 6.282 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224118687 XOLMZQDRBFYJRH-JGCGQSQUSA-N 628.751 5.265 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(Cl)s3)cc2)cc1 224761168 NLPICLHTDTZWOA-GOTSBHOMSA-N 525.080 7.033 5 40 KKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225577464 FVXHTOBMTOVBOZ-MHZLTWQESA-N 635.570 5.224 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 247855464 JOLGNNANNAVUIK-YGGCMVMVSA-N 586.560 5.359 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260962462 YKWNMDMWBHGYNY-UUWRZZSWSA-N 672.804 5.519 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 261041421 ZHSSPDWDSAFNKM-MGBGTMOVSA-N 719.658 6.252 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc(Br)c1OCc1ccccc1 408567179 GRAJHUGMDVQIAT-XMMPIXPASA-N 569.481 6.344 5 40 KKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCCCN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1 408680895 IKSZIHLPCDCPTR-UHFFFAOYSA-N 607.230 5.555 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408844974 DSCNJRXMGIBWKK-PBKKUYBVSA-N 642.517 6.061 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408848450 VBNRKRKSQOUMLN-VPHSIRQSSA-N 865.484 6.282 5 40 KKBB Cc1ccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 409240948 MHKYNFZXJKPSNI-LPYMAVHISA-N 522.355 5.338 5 40 KKBB Cc1c(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1Cc1ccccc1F 409269805 DZOPYUXOAWRIAR-WGARJPEWSA-N 529.549 5.965 5 40 KKBB CCOc1ccc(Oc2cc(NC(=O)CSc3nc4c(c(C(F)(F)F)n3)CCc3ccccc3-4)cc([N+](=O)[O-])c2)cc1 2799467 BPNILSLBASKMDM-UHFFFAOYSA-N 596.587 7.091 5 40 KKBB CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 11617031 BMGQWWVMWDBQGC-JLYVSKAHSA-N 570.649 5.907 5 40 KKBB in-vitro CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 12590017 QZKSKBRQQAKYDW-HDICACEKSA-N 507.612 6.235 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 13304323 HDHSGVRQCONKDG-ZFEPTCRASA-N 507.924 6.963 5 40 KKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 14132579 YNGINMYVSHPUMZ-ZVHZXABRSA-N 513.531 6.180 5 40 KKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 22832108 PPWFTLWAQNXVBI-UHFFFAOYSA-N 507.757 6.579 5 40 KKBB Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(Cl)cc4)c4ccccc4c3=O)c2)CC1 29492779 HQQSPWYMJXNJLC-UHFFFAOYSA-N 580.044 5.885 5 40 KKBB O=C(Oc1ccc(OC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c(C2CCCCC2)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 33354739 ZQLLUXJABBNPRO-UHFFFAOYSA-N 674.662 9.574 5 40 KKBB CCN(CC)[P@]1(=Nc2ccc([N+](=O)[O-])cc2Br)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C 97983291 UDDFEXBSNDRSEN-ICXUVVTQSA-N 545.422 6.932 5 40 KKBB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3O)oc2c1 105310380 MOISKHUMKMIDJE-UHFFFAOYSA-N 531.594 5.534 5 40 KKBB O=C1S/C(=C\c2cc(Br)cc(Br)c2O)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106738954 CIEAULXGCJMFFD-NSIKDUERSA-N 514.151 5.062 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 111470803 SNLGYPRJUPWWPV-ZHGFHMGHSA-N 623.712 5.826 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@]1(c3ccc(Cl)cc3)C(=O)[C@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 150365149 HCUASSZGQJKMAB-PZZXBQDJSA-N 671.536 8.091 5 40 KKBB CC(=O)c1ccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)/C(=C/c4ccc([N+](=O)[O-])cc4)NC(=O)c4ccccc4)c3)C2=O)cc1 150483075 IBQBGBYNSSARRW-IUBRTPTASA-N 634.670 5.631 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 163212915 XVRNPQLUUQRKJA-YVBHXKDBSA-N 689.385 7.012 5 40 KKBB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 205671772 BSJIDFBLXZGOQX-RQZCQDPDSA-N 600.241 5.298 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1Cl 215260974 CFINWRKJNFYWJU-YDZHTSKRSA-N 603.878 7.225 5 40 KKBB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)nc1 224764287 VXFCENXBXMFEDA-FQLXRVMXSA-N 564.696 6.812 5 40 KKBB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)(C)C 225113334 XSIZIDYDNVCYID-RRPNLBNLSA-N 571.659 6.420 5 40 KKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225464608 UQUHVCLKYIHMPN-UMSFTDKQSA-N 723.679 7.186 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260880199 CEHHNQPAZJMSIB-PGUFJCEWSA-N 802.177 8.156 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408686281 RHUBBUDPDBRKQM-HCXPYDJZSA-N 608.448 5.807 5 40 KKBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5c(OC(=O)c6ccc([N+](=O)[O-])cc6)ccc6ccccc56)c(=O)n42)c2ccccc2CC3)c1 408768190 USJMAYWLRNTWBJ-GQFYKFLTSA-N 665.727 6.608 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 408770406 XCFCYASOMHAYCZ-AOFXREQWSA-N 632.698 5.370 5 40 KKBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 408873991 YHMDOIAWJIAWGK-YVNNLAQVSA-N 656.422 7.183 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3cccc(F)c3)c(I)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916653 FQLVCQDLYLXOSO-WSDLNYQXSA-N 590.370 6.154 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 408934891 DFISRSISOYUPLA-TZUCAZQYSA-N 767.611 6.355 5 40 KKBB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 408983507 KVMQZHPMJPUNCC-UHFFFAOYSA-N 605.727 5.385 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c2=O)=N1 409038415 VGTCUXZPIUAITO-RISWYLRJSA-N 609.582 5.518 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC 409090054 OIICZPBOPBSPEG-LRUGRNCASA-N 730.622 5.556 5 40 KKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1 409092835 ZNYUZUMCEDQMQH-CSJROMOCSA-N 641.134 5.377 5 40 KKBB CC1(C)OC(=O)C([C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c2c[nH]c3ccccc23)C(=O)O1 409114308 GQQWOTWDXJRSRN-XMMPIXPASA-N 579.403 6.002 5 40 KKBB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c2=O)=N1 409139349 CWXOBPIRNDKPJX-JAYSWQADSA-N 636.155 5.306 5 40 KKBB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OC)c3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1Cl 409153639 IMGZNLQNLRBADP-DHRITJCHSA-N 685.067 6.589 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409161800 PUWSARNIKVDEQW-XGLZOBASSA-N 727.431 6.119 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 409325170 XIHCUGRGGABKIA-UHFFFAOYSA-N 508.383 5.040 5 40 KKBB CCOc1ccc2nc(Sc3nc(Nc4cccc([N+](=O)[O-])c4)nc(Nc4cc(OC)ccc4OC)n3)sc2c1 1821030 LKJUKEFQTWPIKJ-UHFFFAOYSA-N 577.648 6.444 5 40 KKBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cc(-c2ccccc2)nc2ccccc12 2322147 IOHNQQZDWFUBLO-UHFFFAOYSA-N 516.560 5.352 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1 9345862 NOMWOLSPSJFZEY-SMIHKQSGSA-N 507.930 5.088 5 40 KKBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1 102556680 PWBZMRUOQXZBRM-SDHSZQHLSA-N 582.407 5.206 5 40 KKBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1OCc1cccc2ccccc12 102577365 WRGGASCFKVJOFP-KTKRTIGZSA-N 524.327 5.057 5 40 KKBB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2c3ccccc3cc3ccccc23)C(=O)N1c1ccc(Br)cc1 102742063 IVXWRWYERCRTMU-YTCPBCGMSA-N 549.424 6.807 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 103533613 PQCZGDMCCXFVTA-NEWJYFPISA-N 534.355 5.300 5 40 KKBB COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103627324 ZMIHIEGLVVBBGF-CDACFMRSSA-N 571.589 5.460 5 40 KKBB O=C(Nc1ccc(Br)cc1I)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 104125978 FUPDJSXSXXZHEC-UHFFFAOYSA-N 513.085 5.474 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105305712 FRLLFPQCOYZIHJ-UHFFFAOYSA-N 551.628 6.673 5 40 KKBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105312236 SZPVBIBFZGFLFF-UHFFFAOYSA-N 517.954 6.178 5 40 KKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 106737099 PURWVAHZOXUWGM-UYOCIXKTSA-N 561.424 7.018 5 40 KKBB Cc1cc(Nc2ccc3c(n2)Oc2nc(Nc4cc(C)nn4-c4ccccc4)ccc2C3c2ccc(Cl)c([N+](=O)[O-])c2)n(-c2ccccc2)n1 150464161 AYBQDGFLKPZCIW-UHFFFAOYSA-N 682.144 8.800 5 40 KKBB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl 225146919 AHLHNNXLERAQLT-IZZNHLLZSA-N 562.051 6.675 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225203443 MFSLHMPTXNFVGD-SFHVURJKSA-N 548.503 5.457 5 40 KKBB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 225617369 VCLWXFVYRJJKDL-IBGZPJMESA-N 607.516 5.039 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1F 225622923 OVYLFPUNTJMJQH-CLJLJLNGSA-N 531.569 5.390 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Br)cc3)c(Cl)c1)[C@H]1CCCN12 408563846 BDEIMUKMDCZMHZ-YUHKXCSQSA-N 568.855 5.736 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408565360 BUXKJFNQMSGZSG-HSZRJFAPSA-N 573.990 5.974 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408571838 PRBNEPWODJBZAS-DEOSSOPVSA-N 638.371 7.733 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 408572071 QOHJLBOFBFRWMF-LJAQVGFWSA-N 575.090 7.470 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc2ccccc2c1 408572716 RWQKEQFJLKQLML-LJAQVGFWSA-N 540.645 6.817 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408729530 CFCINEJXTGHEAC-CTGRGZOBSA-N 769.560 7.004 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408734273 VZXFJWYCERHNCL-JFOVKABNSA-N 672.897 5.111 5 40 KKBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OS(=O)(=O)c6ccc(C)c([N+](=O)[O-])c6)cc5)c(=O)n42)c2ccccc2CC3)cc1OC 408758392 ZFWKIAOIHRSFBB-YCMYYBHNSA-N 695.775 5.320 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408823992 GLHCAKALLFJPSM-MRWVFDTMSA-N 643.718 5.081 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409108037 VFKGKCSEUANOCP-NNAGEYCMSA-N 617.127 5.244 5 40 KKBB O=C(COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1)Nc1ccccc1Cl 409128181 RSYGUJODTBOVCL-PGUFJCEWSA-N 633.104 7.627 5 40 KKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(OC3CSC3)cc2)N1Cc1ccccc1 409141365 JLZBGAZPZJFGLD-SSEXGKCCSA-N 537.641 6.450 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(SC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409182069 IDFMCUNHINEUDC-UHFFFAOYSA-N 536.031 5.121 5 40 KKBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 409309543 IVGRBOSXOKOZFQ-XQRVVYSFSA-N 557.184 6.013 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 409327104 HZUKGYGSLXFCCI-ZMOGYAJESA-N 562.560 6.094 5 40 KKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3c(ccc4ccccc34)N1[C@H]2C(=O)c1ccccc1 1307026 CORKNRFVHAWXMO-RDPOUHODSA-N 529.552 5.329 5 40 KKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(Nc2ccc(Cl)c(Cl)c2)=Nc2ccccc21 1852794 MGGNQSSRAYCWBD-NDEPHWFRSA-N 594.462 8.191 5 40 KKBB O=C(Nc1ccc(Oc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)cc1)c1cc(-c2ccccc2)nc2ccccc12 2765713 VQWQIKFPQUDBDQ-UHFFFAOYSA-N 553.574 8.647 5 40 KKBB O=C(Oc1ccccc1)c1cccc(COc2nc3ccccc3nc2/C=C/c2cccc([N+](=O)[O-])c2)c1 24522858 GHCGGYSLHLATBO-WUKNDPDISA-N 503.514 6.507 5 40 KKBB CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[C@H]2OCCCN2Cc2ccc(Cl)cc2)C1 59490038 YSNWTCJFVGOANO-JIPXPUAJSA-N 515.054 5.254 5 40 KKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 97980166 RVJNPKVPCKOEAF-UCNGGQBMSA-N 540.834 7.992 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 100190044 GMSAFUHJUDCNLJ-UNDLXJOSSA-N 597.693 5.409 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 100870940 YLFWWWSZUVYERX-KIHHCIJBSA-N 533.462 5.012 5 40 KKBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc(-c2ccccc2)cc1 103001325 XJBZZAVSPYAVOM-WUZYOQQESA-N 546.627 5.739 5 40 KKBB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1 103095577 GGLXZFJFUDHEIR-WJXKJRLOSA-N 588.620 6.701 5 40 KKBB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 105318216 QSENCIVSKXFWJQ-UHFFFAOYSA-N 593.153 5.688 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 106724714 DQKNBQABBBKREH-DICXZTSXSA-N 569.595 6.011 5 40 KKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)SC(c1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccccc12 163488640 PABVHWMSTBXLTO-LJAQVGFWSA-N 681.431 8.425 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214847375 RMDYNEOEHDNVCD-DJKKODMXSA-N 554.205 7.161 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)cc([N+](=O)[O-])c1C 214890864 FBRFUBWPIZUHEY-UFFVCSGVSA-N 503.363 7.015 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224332396 BPQICULFVANWGN-SANMLTNESA-N 523.630 5.133 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224768563 KTYQQKRYUUPQHN-XIFFEERXSA-N 640.762 5.489 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225188963 WKCTUANGTOKBLB-LEWJYISDSA-N 665.596 5.746 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 261055895 MVRMRERKIRECCR-YJNPBZNESA-N 672.804 5.662 5 40 KKBB COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 408636606 BAJBHIHUEOHCAI-QHCPKHFHSA-N 610.575 5.394 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 408679898 FOIWNIONRFEUFD-ZYNNUQKQSA-N 669.088 5.507 5 40 KKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729166 AYKCECHLYAMNRH-HHHXNRCGSA-N 531.565 5.681 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409033166 NGFAVQRPASBNHZ-FZEVDNDPSA-N 712.608 6.388 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036451 LHAFVHAVFZZOLG-GAPLDZIPSA-N 796.649 5.007 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409192114 AJKOSQOFRBGFBY-SPLCHINYSA-N 790.110 7.740 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C(=O)N1c1ccc(Cl)cc1 409193738 LUFRQVBHWMFNAN-CIAFOILYSA-N 592.798 6.673 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1cccc2ccccc12 409265440 UXGIWLONHPEEIO-DHRITJCHSA-N 672.435 7.997 5 40 KKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2[N+](=O)[O-])cc1 409275421 JJQODOGQRQZOHN-QRVIBDJDSA-N 535.559 5.882 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)c(C)c1 409371408 CIIMANMKCDREBF-FMCGGJTJSA-N 519.579 6.072 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)C2=O)o1 409386768 RVUVOIHHMMVQBF-AFUMVMLFSA-N 544.541 5.943 5 40 KKBB CCOc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 1848877 PLPIHYCYJPPLLI-UHFFFAOYSA-N 523.636 5.898 5 40 KKBB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 2276118 QDHIJOWZZZDWPP-SANMLTNESA-N 501.518 5.375 5 40 KKBB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1 3309001 BFDUKRDYITWCKS-QGZVFWFLSA-N 505.600 5.911 5 40 KKBB COc1ccc(C(=O)[C@H](OC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c2ccccc2)cc1 9201520 FRZYRPSIDRDUQS-HHHXNRCGSA-N 510.502 5.637 5 40 KKBB CCCCN[C@H](c1ccccc1)c1sc2nc(C)cc(COC)c2c1NC(=O)c1ccc([N+](=O)[O-])cc1 12420158 JGRPMBJROBKLTM-XMMPIXPASA-N 518.639 6.391 5 40 KKBB Cc1c(OC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)ccc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)oc12 97983854 BALKJBMLWQQYLG-UHFFFAOYSA-N 651.527 6.417 5 40 KKBB O=S(=O)(Nc1nccs1)c1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)cc1 100922629 BLRQADMEORJSOI-QVTSOHHYSA-N 566.689 7.352 5 40 KKBB O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 102894973 BWYFQTHFDLOHJB-AYQJTBPPSA-N 585.572 6.018 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223709890 JKWVLBSESNKSAG-HKBQPEDESA-N 748.085 6.844 5 40 KKBB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224445049 DVKUWYJWYJPXHX-VWLOTQADSA-N 607.516 5.040 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224566211 OBGISGRHWGWUKM-XIFFEERXSA-N 741.694 6.969 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408566456 OHLYPPZXWRYHCY-BQGAEBSMSA-N 582.426 5.230 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1 408577404 ZHMOCQCRQGGLID-AREMUKBSSA-N 613.534 6.825 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc(Br)c1OC 408577407 ZHVDKMYELCHICB-LJQANCHMSA-N 507.410 5.164 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3cc(C)ccc3C(C)C)cc2)CC1=O 408642407 OPOPYYYAKCPLLG-LJQANCHMSA-N 503.555 5.819 5 40 KKBB O=C(Nc1ccc(C(=O)N(c2ccccc2)c2ccc3ccccc3c2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 408683709 NMUNINCIZBMRFJ-UHFFFAOYSA-N 566.411 7.741 5 40 KKBB Cc1nn(-c2ccccc2)c(O)c1C(c1c(C)nn(-c2ccccc2)c1O)[C@@H]1C=CC=C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 408737796 XSJUQGXPLKDHTM-IZLXSDGUSA-N 603.635 6.094 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409042722 XNUOSAHIHDNASD-GWRYVSOYSA-N 895.510 6.291 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4F)cc3Br)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1 409079771 LJYFZHYCUAJHTK-WQNUKSJVSA-N 682.524 5.196 5 40 KKBB O=C1/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)NC(=S)N1C1CCCCC1 409088524 KEYDLMFATSWHMV-MOSHPQCFSA-N 516.417 5.327 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)Nc1cccc(Cl)c1 409150443 BUGLYWUQXZMWAK-ZVBGSRNCSA-N 656.820 7.497 5 40 KKBB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2)cs1 409183706 SFEGAFSGDBHXPE-AREMUKBSSA-N 515.547 5.604 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409205695 FCIMOSYACDQVCZ-VRCTWVPOSA-N 593.452 5.713 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)c1ccc(Br)cc1 409225409 QJIRIVXRVFUUQG-SSDVNMTOSA-N 584.360 5.977 5 40 KKBB CCOC(=O)c1c(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)sc(C)c1C 1239845 NDDWDIUNRULTLD-BDTNDASRSA-N 555.996 5.154 5 40 KKBB Cc1ccc(C(C)C)c(Oc2cc(NC(=O)c3c(-c4ccccc4)nn(-c4ccccc4)c3C)cc([N+](=O)[O-])c2)c1 2070182 YIPGEODBIKCUFU-UHFFFAOYSA-N 546.627 8.232 5 40 KKBB O=C(OC(c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)(C(F)(F)F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 3206635 UUWPEKOTCKXOSN-UHFFFAOYSA-N 591.804 6.586 5 40 KKBB C[C@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C(=O)Nc2cccc3ccccc23)C1 8445665 CCTNQUHQPOOSKG-HNNXBMFYSA-N 520.010 7.092 5 40 KKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 8895140 ZCENQXRVLKZVEN-QPJJXVBHSA-N 510.786 6.650 5 40 KKBB Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 33353640 WULWYTWPRQCOOZ-UHFFFAOYSA-N 538.994 5.698 5 40 KKBB Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)cc1 100252129 FWXNJWAXBVMBGL-UHFFFAOYSA-N 568.764 12.166 5 40 KKBB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 103083642 XKGBCZKRQVPJJJ-LTGZKZEYSA-N 531.568 6.849 5 40 KKBB Cc1ccc2c(Cl)c(C(=O)Nc3ccccc3C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)sc2c1 108538276 MWOCOMMEUCUDGQ-UHFFFAOYSA-N 550.021 6.794 5 40 KKBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OCc6ccc([N+](=O)[O-])cc6)c(Br)c5)c(=O)n42)c2ccccc2CC3)cc1 150401193 VCXCNKUOPHKTTE-VSQRRKBNSA-N 680.580 6.577 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 150436127 PYQDGKVMZBUJJC-QRVIBDJDSA-N 650.878 7.067 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 163740738 DEOWMDYJTYFCTI-QARYAGPDSA-N 717.103 5.094 5 40 KKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1c(F)cccc1Cl 215119412 OUUMPUVXKXCYBI-DJKKODMXSA-N 537.750 6.646 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225290445 YZJMWKQYGVBMED-MUUNZHRXSA-N 533.694 5.693 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2C)o1 225695612 LHGAYLZBDNTWFV-WUFINQPMSA-N 557.632 5.568 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260888169 FITCCEJZRHZXLG-PSXMRANNSA-N 747.314 7.158 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 408566249 NJOOKMYBSHHPDV-PRWUDMTRSA-N 528.392 5.149 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Br)cc2)n1-c1ccc(F)cc1 408575382 WBOVNCOMHIOVGZ-QHCPKHFHSA-N 543.418 6.166 5 40 KKBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408638979 DUXKXCQOPBAMNI-YKQNXRHISA-N 648.466 5.238 5 40 KKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408655107 KVAYQLVLWNGCBO-NTDMNLGMSA-N 599.426 6.049 5 40 KKBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 408666010 ZVUHECDJHMUFFZ-CCYRGCKPSA-N 601.615 5.124 5 40 KKBB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5C6c7ccccc7C(c7ccccc76)[C@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] 408673946 YAYRPDXMPZRTHL-AGMRJWFBSA-N 613.626 5.258 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408680822 GZTGUMHRVLLKNZ-HCXPYDJZSA-N 608.994 5.606 5 40 KKBB Cc1cc(C)c(CSc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4C(=O)O)cc3s2)c(C)c1 408750814 RZTSGLARAOMXOF-UHFFFAOYSA-N 507.593 6.373 5 40 KKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Br)cc5)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 408757347 MGBHYDIBAIVLRN-UHFFFAOYSA-N 516.351 6.672 5 40 KKBB COc1ccc(-c2sc(NC(=O)c3ccc(OC)c(Br)c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408831992 QPMZUBBAHWQQQE-UHFFFAOYSA-N 540.395 6.417 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408916827 ZLIUBUJMDPOMSY-SWBDNCPRSA-N 770.658 6.593 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n32)cc1OCC 408933123 HTKAKUAJLKZMHQ-BVRRJIQMSA-N 652.729 5.035 5 40 KKBB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5cc(Cl)c(Br)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1 408988885 SNFNLHLSDPDIST-RLFCKUQXSA-N 672.941 5.780 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccccc4F)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409049047 XZIQEGRCAHALRR-GWRYVSOYSA-N 740.604 5.983 5 40 KKBB COc1cc(CNc2cccc(C)c2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409122447 YWWQBTRAATXMLE-UHFFFAOYSA-N 518.351 6.016 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 409156807 PCZPWZFIBOYIHU-QRVIBDJDSA-N 598.431 5.620 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4n[nH]c(-c5ccc(Cl)cc5Cl)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 409194942 RELXYTUZEZNECT-JAYSWQADSA-N 693.594 5.950 5 40 KKBB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nc(SCc3ccccc3Cl)nc2N1 2719040 VQZYMJOHQOOLAF-JOCHJYFZSA-N 534.001 5.455 5 40 KKBB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2ccc2ccccc23)c(Br)c1 8445950 QOVCZZYWSBTBQO-UHFFFAOYSA-N 514.448 7.252 5 40 KKBB CCCc1ccc(-c2ccc(-c3nc(SCc4ccc([N+](=O)[O-])cc4)ncc3-c3ccc(Cl)cc3)cc2)c(F)c1 12858607 NCULBBRQXJLUFB-UHFFFAOYSA-N 570.089 9.423 5 40 KKBB CC(C)Oc1ccc(CSc2nnc3c4sc5nc(-c6ccccc6)c6c(c5c4ncn23)CCCC6)cc1 53319318 XSUMIEPTVAFJHV-UHFFFAOYSA-N 537.714 7.513 5 40 KKBB CCCCCCNC1=C(C(=O)Nc2cccc3ccccc23)C(=N)[C@@H](C(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)S1 102929683 GHJDFPYJIWGZMW-MHZLTWQESA-N 575.691 6.159 5 40 KKBB O=C1/C(=C/c2ccc(Cl)cc2Cl)N=C(SCc2ccc([N+](=O)[O-])cc2)N1c1ccc(OC(F)F)cc1 103129313 DVWZNYUQDSRYNT-NHDPSOOVSA-N 550.370 7.180 5 40 KKBB O=C(NC(=S)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 105311823 IAUPTQROAWGABE-UHFFFAOYSA-N 592.294 6.523 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 205805972 NSEBXZJWRDMTAZ-HYARGMPZSA-N 604.479 5.384 5 40 KKBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223508597 OZTNKJKOWGWNHF-PMERELPUSA-N 679.593 5.329 5 40 KKBB O=C(NC1CCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224870996 SFZODDWFSWPBNH-MHZLTWQESA-N 520.029 5.490 5 40 KKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224881993 DREKWCOKFIDCTL-NRFANRHFSA-N 647.581 5.963 5 40 KKBB COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 224926846 XLXRRDOBJXIPIX-INIZCTEOSA-N 538.428 5.155 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)c(Br)c1)[C@@H]1CCCN12 408568226 SMPCYRLBHZXDKQ-UQBYDPJISA-N 552.400 5.222 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408571127 NSDGCZDBBRWNAE-XMMPIXPASA-N 559.475 6.970 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1 408574050 UMUNDBZUEAIJHH-XMMPIXPASA-N 621.916 7.219 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 408577018 YJJPHUWSGMQOBR-RUZDIDTESA-N 583.508 6.734 5 40 KKBB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 408628454 XNVNWPWRDPOFEC-UHFFFAOYSA-N 697.166 5.389 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C(=O)O)n[nH]2)c1 408634326 ULRFWHFQIWTASM-QRVIBDJDSA-N 534.550 5.194 5 40 KKBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408673682 XNDASLXLAIHGSI-AGMRJWFBSA-N 613.626 5.258 5 40 KKBB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5C6c7ccccc7C(c7ccccc76)[C@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] 408673951 YAYRPDXMPZRTHL-FSGKEUEHSA-N 613.626 5.258 5 40 KKBB CCOc1cc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408803469 PGRSHVGTKYIOSM-UHFFFAOYSA-N 520.587 5.653 5 40 KKBB O=c1/c(=C/c2cccc(OCc3ccccc3Cl)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 408847253 ULVWERPKCUJRDB-FVUNBJOLSA-N 606.103 6.459 5 40 KKBB O=C1S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916276 AUXNJAYYVFCRCE-CVKSISIWSA-N 575.440 7.326 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(Br)cc1OCc1cccc(C)c1 408916655 FTISSEDOXMXLPQ-DHRITJCHSA-N 583.460 6.880 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)c(Br)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1 408982975 KERSQFVCRDNCOK-NIQJEMAJSA-N 628.888 5.382 5 40 KKBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1)OCc1ccccc1 409003518 SLDHDNOMPPHSOB-NDEPHWFRSA-N 544.604 5.906 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409098592 IWGMBRWTTRNIQO-DWLKXISJSA-N 662.768 5.753 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)ccc1Cl 409155206 CNPSIIJWBOOING-VULFUBBASA-N 640.070 6.078 5 40 KKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409155817 DCENEHKUXLBVCF-QRVIBDJDSA-N 582.432 5.920 5 40 KKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O 409192834 FPWYVVNOQRUHFU-NCHPMYSESA-N 598.203 6.083 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409239396 PUDBMXTYKQSFJX-WSDLNYQXSA-N 632.876 6.273 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409242572 OTCJOROAPZYZFY-ZMOGYAJESA-N 623.460 5.429 5 40 KKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 409347734 QUVNMEGJFBBYHL-ZMOGYAJESA-N 585.560 7.204 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC 49762506 DEXURNNEZQWOMA-JLKMOJGBSA-N 564.663 5.122 5 40 KKBB COc1cc([C@H]2NN=C(c3ccccc3)S2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 59409193 OKPXTTNBSYECHK-QFIPXVFZSA-N 500.374 5.642 5 40 KKBB O=C(CCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 100397048 MXIISMTXQUXLMU-UHFFFAOYSA-N 609.418 7.631 5 40 KKBB Cc1ccc2oc3cc(NCCCN4CCN(c5ccccc5)CC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 101057295 HRDNLXCHNHHVMF-UHFFFAOYSA-N 544.655 5.874 5 40 KKBB COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O 101673670 LOXKQPFLISBJHP-MZKUHISZSA-N 590.386 5.276 5 40 KKBB Cc1ccc(C(=O)Oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)cc1 102628802 XZUPGHCMECRXGM-UHFFFAOYSA-N 580.618 6.620 5 40 KKBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(C(F)(F)F)c2)ccc1Cl 102927611 GJYRLIXIDCDJCB-UHFFFAOYSA-N 523.880 5.755 5 40 KKBB CC1=NN(c2ccccc2)[C@@]2(SC(C(F)(F)F)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 103757129 MTWVIHPFXIIBQA-QHCPKHFHSA-N 528.472 5.987 5 40 KKBB O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 104659038 IWHWYDWQIHJZEI-PQRKSKNISA-N 531.593 5.487 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 150389776 CIJFFYXEZLAHLO-MQIAMDAWSA-N 688.940 5.400 5 40 KKBB COc1ccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(C(C)C)cc3)C(C(=O)Nc3ccccc3)=C(C)N=4)o2)c([N+](=O)[O-])c1 150397198 QLUOCLROGNQLNP-HZHHUVPKSA-N 634.714 6.174 5 40 KKBB O=C1S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214988853 FYOBHMDSXYNGFV-SSDVNMTOSA-N 515.374 6.717 5 40 KKBB COc1ccc(N(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224654470 SXQZLBSNQGJOON-QFIPXVFZSA-N 643.162 5.237 5 40 KKBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224985154 FWUMGQLKARCRJE-AREMUKBSSA-N 584.536 5.755 5 40 KKBB CC1CCN(c2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3-c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 224996253 GLSHOGKNICWMGE-FQLXRVMXSA-N 573.122 6.847 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225542337 MJMQIMLYGNXYIR-AREMUKBSSA-N 552.469 5.456 5 40 KKBB CN1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408563529 AVSNPSNAEHNNAN-WSNNEZGNSA-N 577.262 5.857 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408637732 AXIBGXGSAFHEAC-PDNQGOMLSA-N 817.205 6.409 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408646982 JEAUJLIMKIUXTD-AGTZKDDFSA-N 626.452 6.034 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OS(=O)(=O)c5ccc(C)c([N+](=O)[O-])c5)cc4)c(=O)n32)cc1 408856530 JAWAVGZGKCKBMS-ACHQHTMYSA-N 710.790 5.257 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409037533 SQVQNAPUGVAESF-PGUFECHJSA-N 741.697 5.468 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c2=O)=N1 409050798 ZWEHKGTWFNZYFE-CSJROMOCSA-N 651.539 5.049 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@H]1c1ccccc1OC 409096706 DWWXZRWWSPQXJL-GJKZIJEQSA-N 561.707 5.419 5 40 KKBB CCN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c2ccccc21 409112002 JODIXQOQHNDFAF-ODLFYWEKSA-N 558.226 6.606 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc2c(c1)OCCO2 409205696 FFDIFBGAYFIUPE-MSXFZWOLSA-N 626.441 5.383 5 40 KKBB CCCN1C(=O)S/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409237258 HNHWKUWNODNTIR-WOJGMQOQSA-N 507.362 5.391 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4ccc5ccccc5c4C3=C[C@H](c3ccccc3)[C@H]2C1=O 409336655 USBKVMWMUCVHAX-NWIVXPOESA-N 530.536 5.578 5 40 KKBB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(Br)c3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2=O)o1 409406746 CJTIMAQSXBGMNO-ZMAJVBOJSA-N 675.242 5.211 5 40 KKBB Cc1c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 409409565 ICZHCLMHZRTEOT-UHFFFAOYSA-N 517.563 5.530 5 40 KKBB CC1=NN(c2ccc(C)cc2C)C(=O)[C@H]1C(c1ccccc1[N+](=O)[O-])[C@H]1C(=O)N(c2ccc(C)cc2C)N=C1C 8434818 PTJCPAKFTSDBAM-ULJKERAFSA-N 537.620 5.990 5 40 KKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 14277956 KFADESFSSUDEDS-SFHVURJKSA-N 500.555 6.005 5 40 KKBB CCOc1ccc(-[n+]2cc(-c3ccc([N+](=O)[O-])cc3)n3nc(-c4ccc(C)cc4)c4ccccc4c32)cc1 27526240 MIESIRSNQJGGKW-UHFFFAOYSA-N 501.566 6.714 5 40 KKBB COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)c(OC)c1 70708062 DIGPJOZZTVGSGD-INIZCTEOSA-N 553.571 5.032 5 40 KKBB biogenic CCn1c2ccccc2c2cc(NC(=O)COc3ccc4c(c3)c3ccnc5c6ccccc6c(=O)n4c35)ccc21 70708130 JXEWTXNGUMJFIG-UHFFFAOYSA-N 536.591 6.737 5 40 KKBB biogenic O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccc([N+](=O)[O-])cc1Cl 102471109 WQANWMYGAOFMAJ-XVNBXDOJSA-N 564.679 5.224 5 40 KKBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 103984194 ALPBRAWMIUYVDR-KCIBBDPESA-N 559.553 5.590 5 40 KKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)c5cc6ccccc6o5)CC4)cc3)o2)c([N+](=O)[O-])c1 104085327 XIXBVZGCIRZJQM-UHFFFAOYSA-N 550.571 6.124 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 105306299 ZWOHSYIJBXVRFJ-UHFFFAOYSA-N 572.430 5.673 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 110128987 JKBHFZDPKGFWKW-FUFNRSNVSA-N 571.655 5.398 5 40 KKBB CCCCCOc1ccccc1[C@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2)N1C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 150352099 KLAXDZYINVRTAJ-UEUGGCQPSA-N 656.761 5.960 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1 150466184 KZTSPTWXHJAANS-ONUIUJJFSA-N 641.540 7.358 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccccc1 150503121 MKPRRHOJVBNNST-KFOJKGMOSA-N 727.580 6.419 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223166978 VLYDBJKKOGLRJS-FCHUYYIVSA-N 675.602 5.202 5 40 KKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223543135 LFDXZBCMFLMHMV-OAQYLSRUSA-N 526.486 5.857 5 40 KKBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225293867 JXKDKJKMYAAREL-HHHXNRCGSA-N 665.596 5.748 5 40 KKBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(Br)cc3)cc1)[C@@H]1CCCN12 408568422 UJYFSJPTBCVFCJ-FCRYVSRXSA-N 534.410 5.083 5 40 KKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1ccc(Cl)cc1 408573667 UAWADTHXVBJLIK-HHHXNRCGSA-N 609.933 7.834 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408615937 DDYFLHQRQOOOGB-UHFFFAOYSA-N 624.159 6.867 5 40 KKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)O)n[nH]1 408630531 BDOLSNXXTUIBTB-QFEZKATASA-N 576.034 6.571 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408649126 XPAKNIOUHRDILZ-UHFFFAOYSA-N 663.382 5.565 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408732923 BBYWPRLOACTPKF-DKOMQPSQSA-N 584.437 5.273 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Cl)ccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)c1 408767979 RQLBWMPONZRKLZ-ISZRBDKASA-N 667.143 6.023 5 40 KKBB O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408831757 VHVYDSMWQSVCII-BHFPBWTASA-N 634.928 7.447 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCc5ccc([N+](=O)[O-])cc5)c(I)c4)c(=O)n32)cc1OCC 408934034 KVYWYTZILSFRTQ-FVMAXLJRSA-N 867.456 5.512 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 408999595 RJDQCISWZONASP-DTDQMKFYSA-N 694.747 6.266 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1 409097373 NLWWBSRIGLGLEC-RNECYNAXSA-N 726.631 5.213 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409102840 WFGJQJTYLPZSQZ-PQRKSKNISA-N 617.127 5.244 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409136045 WENAZSJBVBNPHH-WSDLNYQXSA-N 513.528 5.921 5 40 KKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(Br)c4)C3=O)o2)cc([N+](=O)[O-])c1C 409152548 BKVFOCCBAOOKCD-SRZZPIQSSA-N 513.369 6.471 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409174569 NRNZYFHOXDHONV-FOKLQQMPSA-N 598.977 6.022 5 40 KKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1c1ccc(Cl)cc1 409189350 JURDGEOUKUQBOA-ZDLGFXPLSA-N 505.733 6.512 5 40 KKBB CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)C1 409331916 FJDIZJYCLMVPAI-GOSISDBHSA-N 523.666 5.157 5 40 KKBB O=C1c2ccc3c4c(N5CCCCC5)cc5c(=O)n(CCN6CCCCC6)c(=O)c6cc7c(CCN8CCCCC8)cc8cc(c2c3c8c7c4c56)C(=O)[C@H]1CCN1CCCCC1 1570009233 LSZJFUJIXFCHFG-QNGWXLTQSA-N 830.086 8.817 5 40 KKBB CCOc1ccccc1C(=O)NN1C(=O)c2cc(Br)ccc2N[C@H]1c1cc([N+](=O)[O-])ccc1Cl 2746794 RGSYOFCCZQPDOO-OAQYLSRUSA-N 545.777 5.321 5 40 KKBB O=[N+]([O-])c1cccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)c(C(F)(F)F)c2)c1 3435737 UOFLDTJRRVPVIK-UHFFFAOYSA-N 525.339 7.460 5 40 KKBB Cc1nc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)sc1C 8827418 YDFWGPAESQXZIW-GOSISDBHSA-N 512.341 5.287 5 40 KKBB N[C@@H](Cc1ccccc1)C(=O)OCCOc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1 95100330 HCDMKHLWXLTKPF-WBCKFURZSA-N 821.981 11.816 5 40 KKBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CCC2 97979783 QXNJAKRBJXSELV-GRSHGNNSSA-N 552.539 5.972 5 40 KKBB O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 100477872 WMYCTLBVGLMKEO-UHFFFAOYSA-N 565.238 5.131 5 40 KKBB O=C(Nc1cc(C(F)(F)F)ccc1OCc1ccccc1)c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 101672112 DCZXXQMCCGPPLB-UHFFFAOYSA-N 576.449 8.256 5 40 KKBB COc1ccc(C2CC(=O)C(C(c3ccc([N+](=O)[O-])cc3)C3C(=O)CC(c4ccc(OC)cc4)CC3=O)C(=O)C2)cc1 102424813 ZFAXWLDTEPAMAP-UHFFFAOYSA-N 569.610 5.360 5 40 KKBB O=[N+]([O-])c1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1Cl 102926520 CEAUWYDQLBUXEJ-UHFFFAOYSA-N 523.880 5.755 5 40 KKBB CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccncc1)[C@]21C(=O)Nc2ccccc21 103554615 ZMPULFICGYXEER-VGBJTSDXSA-N 556.578 5.236 5 40 KKBB CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)c1ccco1)[C@]21C(=O)Nc2ccccc21 103556001 IIGHFBBSFNYSHR-NAQGONTDSA-N 545.551 5.434 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)cc1 105314904 ZSOOKLWHQKINGT-UHFFFAOYSA-N 559.692 6.262 5 40 KKBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)cc2)cc1[N+](=O)[O-] 106737413 JNOQXKNNWPHJLE-NYAPKIOYSA-N 589.003 5.290 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 106745627 ICYPJVPKCLIZDK-IWIPYMOSSA-N 518.547 5.758 5 40 KKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)cc1 112243313 ICOJJJSMBDSMHK-UHFFFAOYSA-N 561.664 5.108 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 150395694 XTCCTTXXZLGENP-WGJPBTIMSA-N 651.697 5.429 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 215280888 SVIYYEBCTIBWLL-KTZMUZOWSA-N 622.961 7.423 5 40 KKBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222906749 XQFVAALNHKMQSA-OAHLLOKOSA-N 512.459 5.467 5 40 KKBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224529098 NSUHYGKRIZDFEM-RUZDIDTESA-N 574.461 5.455 5 40 KKBB Cc1c([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n(-c2ccccc2)c1C 224791620 ALHRLRWQQILXSN-ZWXJPIIXSA-N 591.762 8.034 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225035755 HAEQMGXYNPODDE-HHHXNRCGSA-N 554.474 6.143 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225640944 ZYJOEGKEHAADLP-IBGZPJMESA-N 686.014 6.009 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260964244 HNAOZOTVJUFDMT-MGBGTMOVSA-N 709.652 6.796 5 40 KKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 408565702 CVVBUTLBVGZJFP-HSZRJFAPSA-N 624.344 7.343 5 40 KKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1 408571589 PDCPPHHTPJWDJW-XMMPIXPASA-N 563.894 7.533 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1C 408574454 UVNDIAGINRPZMJ-GDLZYMKVSA-N 603.542 7.797 5 40 KKBB O=c1/c(=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 408755816 FYNQXXUXQARGAS-VPHSIRQSSA-N 689.385 7.012 5 40 KKBB COc1ccc(N2C(=O)c3cccc4c(-c5ccc(Br)cc5C)c([N+](=O)[O-])cc(c34)C2=O)cc1 408757318 LZVOWNCSEYGXMI-UHFFFAOYSA-N 517.335 6.295 5 40 KKBB CCOc1cc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)ccc1OC(=O)c1sc2ccccc2c1Cl 408840071 AUSVCBWGQJOWQF-WOJGMQOQSA-N 639.494 8.293 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 408843190 RWMSXXNEVALUKJ-KMCFWPMWSA-N 637.689 6.366 5 40 KKBB Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(-c4nc(O)c5c(C)c(C)sc5n4)cc3[N+](=O)[O-])sc2c1 408989017 GOBHQJIVKYCADL-UHFFFAOYSA-N 599.719 7.911 5 40 KKBB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c2=O)=N1 409036729 LVKAXUZEZHDRFW-UQDCTOEPSA-N 666.550 5.826 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409254445 XEKRSMWDOVQWHL-WSDLNYQXSA-N 588.425 6.164 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccc(I)cc1 409260955 ZAJQTKKXJQMYTO-GRSHGNNSSA-N 654.236 5.897 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409269574 KHMXODGSBKIIEW-CVKSISIWSA-N 561.616 5.864 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409374614 UZKMQFLQAPEIAY-XKZIYDEJSA-N 548.577 5.391 5 40 KKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)o1 409384386 CAFYXJTXKQPFJN-KEBDBYFISA-N 746.273 5.999 5 40 KKBB Brc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(Br)cc2)cc1 514287130 PKZINPGRQRTDQA-UHFFFAOYSA-N 566.296 9.406 5 40 KKBB Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 2302802 UZMDVVAGDAXBRX-GDLZYMKVSA-N 539.599 7.193 5 40 KKBB C[C@H](Nc1cc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 9720326 FVHKPAJQDJBJHU-LXALWNMISA-N 514.670 5.974 5 40 KKBB COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c2)CC1 9971819 PEHALSKKPRKTFQ-PWHYTNLZSA-N 518.658 5.583 5 40 KKBB C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 97971231 NEDRYBPZTOGQAA-NEBXMSRPSA-N 605.522 7.421 5 40 KKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)Nc1ccccc1C 101346900 MDCWBANDSYQTJH-MYYYXRDXSA-N 547.589 5.556 5 40 KKBB Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN23)cc1 101671314 ZYXGEGNZIYMEEU-GGKJBDKJSA-N 555.590 5.885 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222568564 YVAAZNIRKGZFNU-UMSFTDKQSA-N 721.276 6.481 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 222964960 GETDDHIGFUMEGC-IBGZPJMESA-N 700.041 6.399 5 40 KKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223603024 POMKOXPBVOIZKA-FNZWTVRRSA-N 508.018 5.346 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 225616704 ZUJIWLJOMUOTPN-JGCGQSQUSA-N 697.641 6.653 5 40 KKBB Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 225635664 PISARYVYZUXWTO-IZLXSDGUSA-N 540.649 5.399 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408567183 GRAZCPVUSQEYJR-QHCPKHFHSA-N 642.334 7.482 5 40 KKBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 408664996 ZBPCFWFOBIUMQL-MROGCYOMSA-N 636.444 5.558 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 408916826 ZLIUBUJMDPOMSY-FUAQWRKOSA-N 770.658 6.593 5 40 KKBB Cc1ccc(C2=C(c3ccc(C)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)C(=O)[C@H]23)cc1 408998008 PUNFHXJTEKRDDV-WMLSXBIGSA-N 706.798 9.068 5 40 KKBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)cc1 409033982 MUCDLLXJXCHXQS-UQDCTOEPSA-N 587.654 5.062 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036639 LCYASDHAMFZJBP-PGUFECHJSA-N 845.519 5.761 5 40 KKBB CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409050649 YDCSZYQXMDUSMT-ASZNLBCTSA-N 634.110 5.338 5 40 KKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409166773 GBBPEGLWYCCYHY-QFEZKATASA-N 540.601 5.890 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c(C)c1 409177786 IORBVBZBRFRBHB-FOKLQQMPSA-N 650.429 7.460 5 40 KKBB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409178495 IWZHNTNCISUDCV-MUUNZHRXSA-N 579.392 6.700 5 40 KKBB COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(F)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 409182728 ORXMXSXANLKUSX-BMPBIMJCSA-N 680.688 6.940 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O)N1CCc2ccccc2C1 409387712 PNLZGZIPLHGWQX-RHANQZHGSA-N 579.634 5.948 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1311763 JUYKCZNPLHQUNL-UHFFFAOYSA-N 522.469 5.227 5 40 KKBB CCOC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 3006783 JIIJAZLAJGXMHQ-DEOSSOPVSA-N 554.983 5.261 5 40 KKBB O=C(c1cc2cc(Br)ccc2oc1=O)N1CCS[C@@H]1c1c2ccccc2cc2ccccc12 3668571 VCGLHNNQMZLUQA-AREMUKBSSA-N 516.416 6.750 5 40 KKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4ccc(Br)cc4)o3)nc12 13643562 IBSVSFYLVKOLTR-UHFFFAOYSA-N 506.385 6.106 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(c2nc(NC3CCCC3)c3ccccc3n2)CC1 100302130 AHDIVEUAIIQJRT-UHFFFAOYSA-N 531.495 5.146 5 40 KKBB Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)cc3)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 100395913 YOMAUMDTGKVSOO-DQEYMECFSA-N 575.577 5.614 5 40 KKBB Cc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@H]2C1=O 101111122 WUEIGWUXFIVMAO-PKTNWEFCSA-N 549.539 5.174 5 40 KKBB COc1ccc(C(=O)Nc2sc(-c3cc4c(=O)n5cc(C)ccc5nc4n(C4CCCCC4)c3=N)nc2-c2ccccc2)cc1 102625935 WTZQWEYMRQPTCX-UHFFFAOYSA-N 616.747 6.994 5 40 KKBB COc1cc(C(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)ccc1OCc1ccc(Cl)cc1Cl 103136093 JXMWTFMOVCXJLW-UHFFFAOYSA-N 549.363 5.602 5 40 KKBB CCCc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 103332738 XNSAOEIVFPMTFN-HXBWQCRLSA-N 583.644 6.403 5 40 KKBB O=C(Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl)c1sc2c([N+](=O)[O-])cccc2c1Cl 105222445 LLBGNLZJSVTZSJ-UHFFFAOYSA-N 534.833 8.299 5 40 KKBB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3O)nc2c1 105310980 KIKKSUSWBOUAQD-UHFFFAOYSA-N 528.546 6.112 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 105313891 AFUYYBHPAXVWMH-UHFFFAOYSA-N 572.695 5.210 5 40 KKBB O=C1[C@H]2[C@@H](c3ccc(OCc4ccccc4)cc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 105796614 ICIAMULZLRCHHA-UPRLRBBYSA-N 555.974 5.878 5 40 KKBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 112242528 MLOIGTKFCVKNMN-UHFFFAOYSA-N 588.498 6.142 5 40 KKBB COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224766479 ZFKAXKTZIKPUMH-LOYHVIPDSA-N 579.707 7.117 5 40 KKBB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225710201 FXCXDTHYFYPRMS-RUZDIDTESA-N 631.151 5.093 5 40 KKBB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260906907 FJOOFSAAAWPNRL-PKTZIBPZSA-N 645.178 5.135 5 40 KKBB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 260998319 PDYFKXFPRFSEIJ-MGBGTMOVSA-N 658.752 5.628 5 40 KKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408544142 UZGSEAYXKRKHPQ-VEILYXNESA-N 587.654 6.045 5 40 KKBB O=[N+]([O-])c1cccc(NCc2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2)c1 408558929 WRKXAERBYPHMLO-UHFFFAOYSA-N 526.612 6.964 5 40 KKBB CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408570059 YHFWUZYGTHIHNX-KLPDMWAPSA-N 657.359 6.244 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 408570899 MGLGPZUCQHFSLZ-HHHXNRCGSA-N 534.638 5.981 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1ccc(F)cc1 408572461 RFKWBRAQTQJIGY-MHZLTWQESA-N 593.478 7.320 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1Cl 408573133 SQEDQOQDYJCCLT-IBGZPJMESA-N 515.791 6.580 5 40 KKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)O)o2)c1 408631376 DOMDJZZDNRKDGM-MTJSOVHGSA-N 509.496 5.448 5 40 KKBB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 408639721 YEZXTXULXYKZCX-QFIPXVFZSA-N 560.559 5.123 5 40 KKBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1 408686952 SUJOSJSRVRNUOW-UHFFFAOYSA-N 774.998 6.190 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 408733206 GHBYFBSIVRULNM-YVBHXKDBSA-N 721.529 6.140 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408766900 WPIQADFWZLNLRO-FSPONLMBSA-N 708.705 5.562 5 40 KKBB COc1cc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)ccc1OCc1ccccc1 409116963 VVMQXCBFEBYUNJ-DHUJRADRSA-N 585.660 7.544 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccc(N2CCOCC2)cc1 409145376 ODSWORKITZWYOY-OVVQPSECSA-N 523.614 5.505 5 40 KKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1Cl 409267006 ZYPSYLVZXLFJOI-AUEPDCJTSA-N 637.976 6.752 5 40 KKBB CCN1C(=O)S/C(=C/c2cc(Br)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409269458 BVSMSPMKHCKDBZ-LZYBPNLTSA-N 517.279 6.225 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409275481 VEFMNMWJLOOSDR-JVWAILMASA-N 569.595 6.011 5 40 KKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c(C)c1 409374577 UFEHYMSSKRRFAQ-FSJBWODESA-N 562.560 5.896 5 40 KKBB CCOc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409393300 PVCJQFHUYOLAMR-CFRMEGHHSA-N 536.009 5.613 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 1301921 ITCOWSBAYTXBHQ-ANOKCIKSSA-N 547.592 5.512 5 40 KKBB COc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc(I)c1OCc1ccc(F)cc1 8431332 FLPPLIKBZYIFRO-JMIUGGIZSA-N 588.329 5.579 5 40 KKBB O=C(Nc1ccc([N+](=O)[O-])cc1)C(=Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 14361347 OTTYCSBTXNLADV-UHFFFAOYSA-N 500.389 5.183 5 40 KKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(c1ccc(Br)cc1)=NN2c1ccccc1 33355244 WUEFIHAZPHIVLM-GDLZYMKVSA-N 598.482 6.896 5 40 KKBB CC1CCN(c2ccc(C(=O)NC(=S)Nc3cc(-c4ccc(CO)o4)ccc3Cl)cc2[N+](=O)[O-])CC1 59825758 ROYKQFNYVHMXCA-UHFFFAOYSA-N 529.018 5.364 5 40 KKBB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Sc5ccc(Br)cc5)cc([N+](=O)[O-])c4)c3N2)cc1 97985359 ZLGYBQFQIRSPMG-RPWUZVMVSA-N 632.462 7.926 5 40 KKBB CC(=O)N1CCc2c(sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2-c2nc3ccccc3s2)C1 100870616 PJWOVKLTHSZXKR-UHFFFAOYSA-N 534.644 6.305 5 40 KKBB CC[C@]1(C)Cc2c(sc3c2c2nnc(SCc4ccc(OC)cc4)n2c2nnc(SCc4ccc(OC)cc4)n32)CO1 102836123 SKDMVCOXNBUITF-SSEXGKCCSA-N 618.810 6.830 5 40 KKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)OC(c1ccccc1)c1ccccc1)N1c3ccccc3C=C[C@H]21 104009066 GEKDPSFYKQVZRU-IMQOFUTHSA-N 601.615 5.326 5 40 KKBB CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)[C@H]3c2ccc(OCC)cc2)cc1 104056820 OMOKKGZHHSVWMZ-GQGBPRTGSA-N 610.711 6.666 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)c1 111468524 RWZHCIFESCTKLU-JLKMOJGBSA-N 606.660 5.359 5 40 KKBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223212217 WFIJXUSPPBJZAO-JOCHJYFZSA-N 631.151 5.094 5 40 KKBB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1Cc1cccnc1 224763728 RIRLOZZJBNJBCO-JSOSNVBQSA-N 592.750 7.180 5 40 KKBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 229635997 BTNNBBAJKPBJBU-GYPIRZFJSA-N 541.563 5.577 5 40 KKBB O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 229821889 RMVMWKIXQRQJKV-KJHMZRPRSA-N 571.589 5.317 5 40 KKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(Br)c1OC 408564769 ABPZRKZWIBFAPT-FQEVSTJZSA-N 521.437 5.472 5 40 KKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408568562 IASRWNIFLYCPTD-AREMUKBSSA-N 589.501 6.979 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 408575887 WZOBRPHMAIUBOA-DEOSSOPVSA-N 630.477 5.953 5 40 KKBB COc1cc(OC)cc(-c2nc(S/C(=C/c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)C(=O)O)n[nH]2)c1 408633610 ODSFALLTUZMGAY-SSDVNMTOSA-N 536.591 5.766 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(OC(=O)c2ccco2)cc1 408640240 HRFLZGPYROZZAX-UHFFFAOYSA-N 855.040 6.993 5 40 KKBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)c1ccc(OC(=O)c2ccccc2)cc1 408646687 UCSPRCGHZUAXEZ-UHFFFAOYSA-N 865.079 7.400 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408650651 MOOQCNUBEKRINW-QYVRTBTHSA-N 626.452 6.034 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408660054 WHNVLGJEJBCPDV-GOTSBHOMSA-N 624.433 5.536 5 40 KKBB CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 408720232 JSALIIMZTHFSPB-OREYSHIXSA-N 541.003 6.354 5 40 KKBB O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 408831764 VHVYDSMWQSVCII-HWMKKPCCSA-N 634.928 7.447 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c4ccccc4cc4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409099834 UJOIDJGJKBOYHI-RAWKODRKSA-N 566.126 6.063 5 40 KKBB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)ccc1Cl 409173687 QEPMJJCPOYDBRF-FSJBWODESA-N 627.031 5.686 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409178264 LSINOKXGLAMHOX-UHFFFAOYSA-N 645.115 5.200 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409197555 IPVVCISAGHXHOA-WPWMEQJKSA-N 633.639 5.079 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409217892 YDRUTQWYLYDVPK-WSDLNYQXSA-N 545.400 7.120 5 40 KKBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409233674 HDGQOTQTBUCHOM-ZVHZXABRSA-N 623.460 5.429 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409258321 UJTFPUDSJBJMBN-SSDVNMTOSA-N 650.276 6.757 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409261507 CNXWPPVKWKBGQU-UFFVCSGVSA-N 618.502 5.786 5 40 KKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 409356181 FMTUQAGCOFTMMW-CYBMUJFWSA-N 537.429 5.043 5 40 KKBB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409384251 BXHCKRSVSGHBHP-QFEZKATASA-N 638.496 5.566 5 40 KKBB CCCc1ccc(C(=O)N2c3ccccc3[C@H](N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)C[C@H]2C)cc1 1902063 MFBUCWOJBYTUJZ-SLGOVJDISA-N 533.628 7.374 5 40 KKBB O=C(COC(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1)c1cccc([N+](=O)[O-])c1 2058781 FZULTBZZRCZBMZ-UHFFFAOYSA-N 568.152 6.049 5 40 KKBB COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3 4198844 JFXBEKISTKFVAB-ROJLCIKYSA-N 652.832 7.452 5 40 KKBB biogenic O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8833358 CGLYYUHCGBBLBI-UHFFFAOYSA-N 500.584 5.255 5 40 KKBB CC(C)(C)[C@@H]1C/C(=C/c2cccs2)c2nc3ccccc3c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2C1 12657980 XXNWCALECOEGSK-OYQOIYBLSA-N 512.631 7.711 5 40 KKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 38204005 HXVRMIWYMBDCEM-PKOANNTASA-N 522.605 5.868 5 40 KKBB CCOc1ccc(NC(=O)Cn2nc(COc3ccc(Br)cc3)n(Cc3ccccc3)c2=S)c([N+](=O)[O-])c1 100995205 NVIIICXWROWKBL-UHFFFAOYSA-N 598.479 5.749 5 40 KKBB O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2n1[C@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 150364859 YKJFXEYIATXWRX-BHFPBWTASA-N 634.928 7.447 5 40 KKBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 222911707 RUDIIUORDCAGHL-IBGZPJMESA-N 621.543 5.429 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223325817 OXLFLTJQWBPIHS-SSEXGKCCSA-N 635.142 5.220 5 40 KKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)c1 224516723 UGSGRXRNBRBPIP-DHIUTWEWSA-N 521.396 6.189 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225285359 UNSZPHYZNHNHLG-JKSUJKDBSA-N 512.459 5.467 5 40 KKBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 229766796 OKFBKUZRCISHQN-RUPNRHGQSA-N 537.403 5.887 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408566102 DWJSCQORBNDHFL-VWLOTQADSA-N 559.475 6.970 5 40 KKBB O=C(O)/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)Sc1nnc(-c2ccc(Cl)cc2)o1 408633238 JFMBNNBLNRXAES-BKUYFWCQSA-N 509.927 6.095 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408734860 KRUROKSFIQGTPS-OIUASMPBSA-N 722.614 5.845 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408767330 FSOFZHMLVKCIGJ-BHFPBWTASA-N 850.482 5.678 5 40 KKBB O=C(NCc1cccc2ccccc12)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409019037 OLTQOUQIDBGLLN-UHFFFAOYSA-N 509.565 7.560 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409045508 PSWUBRRPCOGGKN-PGNBASISSA-N 810.676 5.397 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4ccc(Cl)cc4)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409143839 IVNOFIWXEFRJHA-ZWTBYVTRSA-N 761.876 6.772 5 40 KKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1Cl 409176822 YTQRZYJMOCPWFZ-KEBDBYFISA-N 576.812 6.254 5 40 KKBB O=C(COC(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409177441 DYPBKXZRLZAZGG-UHFFFAOYSA-N 508.490 5.220 5 40 KKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409183002 QYRFOJDCMJKJRJ-SANMLTNESA-N 506.470 5.176 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409204476 GXKWPWOYUIBLGP-DHRITJCHSA-N 670.494 5.781 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)NC12CC3CC(CC(C3)C1)C2 409332306 DDLPFYVPSFLGQL-UHFFFAOYSA-N 548.646 5.182 5 40 KKBB O=C(CN1C(=O)S/C(=C\c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O)N1CCc2ccccc2C1 409382536 OOFJWKGUBNHLSR-RHANQZHGSA-N 579.634 5.948 5 40 KKBB C[C@H](c1ccccc1)N([C@H](C)c1ccccc1)p1oc2c(Br)cc3ccccc3c2c2c(o1)c(Br)cc1ccccc12 1857524075 ONPIYBCPPMKNMA-DNQXCXABSA-N 697.407 12.582 5 40 KKBB CCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)N(C(=O)CC)c1ccccc1-2 684612 YQSUAWWUBWCXAM-DEOSSOPVSA-N 503.540 5.653 5 40 KKBB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 902275 RSZBTPUOEJXFJA-UHFFFAOYSA-N 516.457 6.187 5 40 KKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2Br)n1-c1ccccc1 6136381 LLQADIFNPYGELM-UHFFFAOYSA-N 540.399 5.344 5 40 KKBB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 13633013 CUNBUDHCRDCSLK-UHFFFAOYSA-N 511.409 5.427 5 40 KKBB CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 17859121 AOALKDZKDYFDQM-ZLNRFVROSA-N 512.349 5.515 5 40 KKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 20153235 YMPGUWFRKOSFQW-UHFFFAOYSA-N 514.991 5.118 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 103753075 MOUGHVRJXZBATJ-CLNXTWJPSA-N 607.644 5.112 5 40 KKBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c2=O)=N1 104676685 PTJCODWNKUTHQF-JLKMOJGBSA-N 599.709 6.179 5 40 KKBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 104911538 OYKYLLCUGTVLEW-UHFFFAOYSA-N 526.849 5.523 5 40 KKBB CCCCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 110337819 OSGZTZOVBBHINM-UHFFFAOYSA-N 540.605 6.058 5 40 KKBB O=C(OCc1ccc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 150506463 JIUMPKCCGQRTMU-UHFFFAOYSA-N 713.482 7.986 5 40 KKBB O=C1S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Br 215053099 HRAIEXQJFIPWBR-SRZZPIQSSA-N 579.350 7.405 5 40 KKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 224509774 SNWQPYFLDFOIPX-DHIUTWEWSA-N 521.396 6.189 5 40 KKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225589762 QHOKODYTNGAUQL-HHHXNRCGSA-N 588.557 6.691 5 40 KKBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 260977187 NLIXVBNEFOBUNA-PMACEKPBSA-N 621.543 5.429 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408570260 KPHBGQAEIVQKHU-QHCPKHFHSA-N 658.789 7.996 5 40 KKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)n1-c1ccccc1 408576517 XOCNWOROXYRUDP-MHZLTWQESA-N 575.488 7.181 5 40 KKBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408660529 QGYHWQITVCUHST-QXUFZFKLSA-N 599.426 6.049 5 40 KKBB COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409029502 BFJATFYAFJVZRZ-BKUYFWCQSA-N 509.971 5.440 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409107538 WSUFXPBOXRJHNN-RGVLZGJSSA-N 534.974 5.214 5 40 KKBB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)ccc1Cl 409156921 UDYXWXJTQWPMNG-LSHDLFTRSA-N 635.960 6.521 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(Br)c(Cl)c1 409197871 QPLCNEXPRAXATH-DJKKODMXSA-N 597.230 6.599 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409269656 LFMYTIGSFMNEOQ-WSDLNYQXSA-N 579.553 5.709 5 40 KKBB O=C(CN1C(=O)S/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409276592 TWBJTXXFHODUTI-BRJLIKDPSA-N 549.967 6.310 5 40 KKBB CC1=NN(c2ccc(C)cc2)C(=O)[C@]12C(c1cccc([N+](=O)[O-])c1)[C@]21C(=O)N(c2ccc(C)cc2)N=C1C 704864 PFOGYUWCHWRXFJ-FQLXRVMXSA-N 507.550 5.127 5 40 KKBB CC(=O)c1cccc(NC(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc(C(=O)Nc3cccc(C(C)=O)c3)c2)c1 3142869 PMQUPOHGXLLMRF-UHFFFAOYSA-N 564.554 5.757 5 40 KKBB O=C(c1ccccc1)[C@H]1[C@H]2C(c3ccc4ccccc4n3)=Cc3ccccc3N2[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 4048144 NYXWOKXMYHHPEP-FHEXXAODSA-N 599.690 8.910 5 40 KKBB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 12599928 JEGLJHZZUUSEOF-UHFFFAOYSA-N 509.569 5.032 5 40 KKBB O=[N+]([O-])c1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 97951385 ANCDZHUZIJJPNR-HHHXNRCGSA-N 540.410 7.868 5 40 KKBB CCOc1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 100230792 MAWTWRYPDODROE-IWIPYMOSSA-N 534.996 6.868 5 40 KKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1 100357942 CFJXHBXURGSREV-UHFFFAOYSA-N 539.017 5.460 5 40 KKBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Sc2ccc(Br)cc2)c1 101083527 CIYABJVCZFWUSD-UHFFFAOYSA-N 517.386 5.253 5 40 KKBB O=C(CSc1nc2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2s1)Nc1ccccc1[N+](=O)[O-] 103765712 IEPCGRUSYKEPFJ-UHFFFAOYSA-N 540.582 5.889 5 40 KKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 105313893 CISOPGLGKQBWLQ-UHFFFAOYSA-N 569.647 5.870 5 40 KKBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1cccc2c(Cl)cccc12 107643530 KIVSDNSLSZDGOZ-UHFFFAOYSA-N 538.073 5.229 5 40 KKBB O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@]1(c3ccc(Cl)cc3)C(=O)[C@]2(c2ccc(Cl)cc2)C(c2ccccc2)=C1c1ccccc1 150365208 ALQYNJMXOUJUNP-PZZXBQDJSA-N 671.536 8.091 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3)n2CCc2ccccc2)sc2c1CCCCC2 150391515 DPONGDIZAZYUMM-UHFFFAOYSA-N 662.794 5.597 5 40 KKBB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n32)c1 150393752 GHELOJJLJPUDKN-PKYOQBLNSA-N 627.078 5.704 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 164537592 IOIASHHUIIKEMU-XNENXQGPSA-N 647.709 5.431 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223284631 XZOACNDJFDEEOI-OOOSNSGVSA-N 707.249 6.315 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224492555 WCCVZCNLERXOMG-HSZRJFAPSA-N 538.497 6.001 5 40 KKBB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1OC 225309672 PMZDLVUYGJUXKB-RRPNLBNLSA-N 559.604 5.020 5 40 KKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 408564878 AQGAFEAJLSYIHB-XMMPIXPASA-N 505.556 5.481 5 40 KKBB Cc1ccc(COc2c(Cl)cc([C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Cl)cc1 408568399 UHEFEKKQDLUNOE-CBZDIVBHSA-N 538.431 5.935 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408568849 UXWZJNMTWLXNEO-PBPLDAPSSA-N 554.430 5.636 5 40 KKBB CCOc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1OCC 408575025 VNTJNPLVQURMGC-NRFANRHFSA-N 521.437 5.554 5 40 KKBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 408575641 WSKUWRWRYMLQBW-LCILEWSWSA-N 617.294 5.367 5 40 KKBB O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 408651742 HFRRYBXUMKXXCI-DQXSBBCTSA-N 578.452 5.687 5 40 KKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccc3c(c2)OCO3)=C1c1ccc2c(c1)OCO2 408735479 QLWRTLLIZDYQAZ-YSSMVSIISA-N 720.690 6.250 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc(I)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1 408815270 QUNPPFLUJQSOKW-QYIOYSLNSA-N 840.465 6.929 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408824617 GYNLNCOGTZVFDK-SUAMDDGLSA-N 608.072 5.407 5 40 KKBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C1c3ccccc3C2(Cl)c2ccccc21 408919222 UZKRASNYYGYUDN-ISQHLFTMSA-N 509.743 5.104 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 408995422 COFZZRZBYSQFKQ-RWTNITNYSA-N 628.888 5.382 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409040827 USKVIGSDUJQZTA-KDDCWKTLSA-N 796.649 5.007 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc2ccccc12 409082929 UHVHQYXQKGSRMQ-RGFRMHDHSA-N 565.607 5.120 5 40 KKBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)c([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1OC 409096102 FKDQOJSNSCVWSE-CCVBWGSMSA-N 641.533 5.587 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409096297 DDCRMNSRJGIXCN-RGVLZGJSSA-N 534.974 5.214 5 40 KKBB O=C1N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 409102851 WHTWJPPTYLLGRQ-RGVLZGJSSA-N 528.746 5.687 5 40 KKBB CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2ccccc21 409120629 UWHNRPNRPJIUES-XKZIYDEJSA-N 507.384 6.480 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCc4cccc5ccccc45)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409149575 KLPCUVOZNHKUKI-SOJUGJLBSA-N 777.491 7.272 5 40 KKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c(Br)c3)C2=O)c1 409163622 VEMKVAMSHVJVFR-SSDVNMTOSA-N 636.402 7.152 5 40 KKBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409165051 RSCYOCUANBOKET-BRJLIKDPSA-N 626.485 6.237 5 40 KKBB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 409177760 IJDCQJIYJXVAOY-UHFFFAOYSA-N 517.559 6.026 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409193205 FGUANCODVJQQGM-JVWAILMASA-N 649.638 5.206 5 40 KKBB Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl 409204508 HNFRTGFQUJSDRZ-YCNYHXFESA-N 526.017 7.390 5 40 KKBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409236902 HWYRBABBDDRARV-CIAFOILYSA-N 615.824 5.130 5 40 KKBB Cc1c(C(=O)Nc2cc(Sc3ccccc3)cc([N+](=O)[O-])c2)c(-c2ccccc2)nn1-c1ccccc1 2067110 PXSWPLZAQIFYAX-UHFFFAOYSA-N 506.587 7.159 5 40 KKBB O=c1c2ccccc2nc(Cc2cccc([N+](=O)[O-])c2)n1-c1cc(Br)ccc1Br 2352866 XGQUCUSASPDAIN-UHFFFAOYSA-N 515.161 5.410 5 40 KKBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 2394584 UWZKWXKCCLCWOH-UHFFFAOYSA-N 503.606 6.829 5 40 KKBB Cc1cccc(C)c1OCc1ccc(-c2nc3c4sc5nc(C(F)F)cc(C)c5c4ncn3n2)cc1 13644043 RELSSUASPQMTQN-UHFFFAOYSA-N 501.562 6.996 5 40 KKBB O=[N+]([O-])c1cc2c(c(CSc3nc4cc(C(F)(F)F)ccc4n3Cc3ccccc3)c1)OCOC2 25397073 FJBGZVOASIVYSC-UHFFFAOYSA-N 501.486 6.170 5 40 KKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 59331837 JCOKYJJGCUJUCT-UHFFFAOYSA-N 516.554 5.624 5 40 KKBB CC1=C(C(=O)Nc2cc(F)c(F)cc2F)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C(C)N1 73256683 SBJTZNGUVJEMCI-RUZDIDTESA-N 590.480 6.543 5 40 KKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3c4ccccc4cc4ccccc34)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 97954137 JWHXOMINVDSPGA-MPFGFTFXSA-N 539.418 7.351 5 40 KKBB O=C(O)CCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1 97961212 UZFCGTMTGFFKAQ-QHCPKHFHSA-N 589.402 5.408 5 40 KKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 100298572 IQXBLWNUPGLVAE-UHFFFAOYSA-N 568.998 7.596 5 40 KKBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 102077750 KTJXKDYIUVLTIE-OROQYSOJSA-N 598.995 5.638 5 40 KKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2nc(CN3CCCCC3)nc3sc4c(c23)CCC4)CC1 103006215 RUJNQWHBFACXKC-UHFFFAOYSA-N 546.619 5.420 5 40 KKBB Cc1csc(Sc2ccc(C(=O)OCC(=O)N3c4ccccc4Sc4ccccc43)cc2[N+](=O)[O-])n1 103057637 ACPLYQBLEKZEHL-UHFFFAOYSA-N 535.628 6.497 5 40 KKBB COc1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC 103081554 AMLPLOGRYUKLMU-LDADJPATSA-N 604.015 6.105 5 40 KKBB COc1ccc([C@@H]2C3=C(O)C[C@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(C)=O)cc1OC 104161476 DLDJLDQBMJBPGU-ACSYHNTCSA-N 513.550 6.182 5 40 KKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 105303700 SJCHKADWPKTTRV-ZZXKWVIFSA-N 616.527 5.235 5 40 KKBB CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2-c2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 150390839 MKLDXLXZKAJGAH-UHFFFAOYSA-N 640.769 5.405 5 40 KKBB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2-c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 150455233 OWMJPJJIVINKOE-UHFFFAOYSA-N 639.443 6.470 5 40 KKBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224263057 LWKPWBZZWINBAU-XIFFEERXSA-N 693.222 5.927 5 40 KKBB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CC1 224766041 HASQYPPCVWUYBP-NSOVKSMOSA-N 541.702 7.071 5 40 KKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 224909272 DEVBGOJJWJCSJO-OAQYLSRUSA-N 647.581 5.963 5 40 KKBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224985191 FWUMGQLKARCRJE-SANMLTNESA-N 584.536 5.755 5 40 KKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)o1 225087491 VKSBBTGBTWZOEZ-ACHIHNKUSA-N 621.675 6.453 5 40 KKBB O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc2ccccc12 225716353 VPKSAFPUYOCUMR-IHLOFXLRSA-N 563.639 6.404 5 40 KKBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Br)cc1 245285376 WSTYHZRHYRANJR-YHTVUCGSSA-N 682.589 9.954 5 40 KKBB O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 247349268 VOJWIUIYLOAAIG-UPOHCCNUSA-N 610.453 6.883 5 40 KKBB COc1cccc(CN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C(=O)NC2CCCCC2)c1 260797889 OCOZCRSVSLQPFY-HSZRJFAPSA-N 687.215 5.635 5 40 KKBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 408566726 OONRZHYQZMFTJQ-BBFXTFFKSA-N 582.426 5.230 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408770301 VUERWKNSTSRBNL-MNIFGUMRSA-N 755.556 5.195 5 40 KKBB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408834401 ZAEYHZHUQSEZJJ-ZGOFBEGVSA-N 688.080 5.880 5 40 KKBB O=c1/c(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)sc2nc3ccccc3n12 408903106 PIZVWGYMGRNXFH-JAIQZWGSSA-N 542.798 5.360 5 40 KKBB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 408926051 NJKMGCKXKKOMED-ZXVVBBHZSA-N 527.602 6.192 5 40 KKBB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1 408927971 ZBQUCDSLUMVBMY-USDTVRPUSA-N 615.733 5.396 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409030108 CKLVDMBXWOQDAH-OCDQFKQQSA-N 752.640 5.852 5 40 KKBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)c2=O)=N1 409038532 VYAVNLDMLXGIIK-GVMLUORFSA-N 668.953 5.701 5 40 KKBB CCn1c(SCC(=O)Nc2ccc(Cl)c(Br)c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409144412 OSKSNQDJJJKFDY-HXUWFJFHSA-N 595.907 5.480 5 40 KKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)c1 409154957 KXSBTIWDVIOJTD-LSHDLFTRSA-N 668.469 7.565 5 40 KKBB CCOc1cc(CNc2ccc(Br)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409205774 JYFXUCLCEPPYDA-UHFFFAOYSA-N 583.220 6.552 5 40 KKBB COc1ccc(-n2c(CNc3ccccc3Cl)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 6194263 OBORNQLJPQTIQU-UHFFFAOYSA-N 539.017 5.489 5 40 KKBB Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 9232777 BXQHASQGKICNQE-OEAKJJBVSA-N 503.536 5.157 5 40 KKBB CN1/C(=C2\C=NN(c3ccccc3)[P@]2(=Nc2ccccc2[N+](=O)[O-])N2CCCCC2)C(C)(C)c2ccccc21 97983269 UAXTVRYRJFEFLN-QBARFHAVSA-N 540.608 7.889 5 40 KKBB COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(Cl)cc3)cc12 98048388 CXHRXRGDOYKRAR-UHFFFAOYSA-N 528.926 5.125 5 40 KKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1)Nc1ccc(Cl)cc1 101140182 RARYSQLDAQTQAD-UHFFFAOYSA-N 548.930 6.730 5 40 KKBB Cc1ccc([P@@](=Nc2ccc([N+](=O)[O-])cc2Br)(Oc2cccc3cccnc23)C(C)(C)C)o1 102936863 HEXCOTKSAITLHE-MGBGTMOVSA-N 528.343 7.758 5 40 KKBB C[C@H](OC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 103092295 BHLLDUXRXSANNV-AWEZNQCLSA-N 554.784 6.410 5 40 KKBB O=C(NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 105314383 QSLDWGVXLYNBJS-UHFFFAOYSA-N 518.942 5.369 5 40 KKBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223705563 VFKCVIJYZMWJML-JGCGQSQUSA-N 713.640 6.190 5 40 KKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223820251 PFSULFHBPZAHND-WNSROMTISA-N 741.694 6.969 5 40 KKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224263955 JBMXUASAQURLIC-MUUNZHRXSA-N 671.216 5.935 5 40 KKBB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 224362729 PKYKUDJXUILUGO-WJOKGBTCSA-N 663.196 5.998 5 40 KKBB COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224610818 TUTIKDUJJCZSDI-VWLOTQADSA-N 588.488 5.844 5 40 KKBB Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224772489 HKJKULNFPLQBOO-YTTGMZPUSA-N 628.751 5.263 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224774305 HZLYMCUPIHAXPZ-QFIPXVFZSA-N 691.634 6.280 5 40 KKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3-c3cccc(C(F)(F)F)c3)cc2)cc1 224781441 VDIMWWNZWHYOPU-WDYNHAJCSA-N 617.678 8.128 5 40 KKBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 225031657 PGUGUYQSOZUICN-DHIUTWEWSA-N 645.178 5.401 5 40 KKBB COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 229863268 UHXKNIZXANIXRU-UIUKDCGCSA-N 601.615 5.468 5 40 KKBB COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 260901586 ATBPMZUXEJDBSS-UUWRZZSWSA-N 721.276 6.481 5 40 KKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 408566241 FCZOFBGDGPCRFO-XMMPIXPASA-N 573.444 6.175 5 40 KKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)c(OCC)c2)cc1 408568112 HSBIHINUIIZSIZ-HHHXNRCGSA-N 534.638 6.062 5 40 KKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408572598 RJPPTWGXUWHDAC-QHCPKHFHSA-N 624.344 7.343 5 40 KKBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408641552 CQLOEOKJOXASAC-AGTZKDDFSA-N 626.452 6.034 5 40 KKBB CC[C@@]12C(=O)[C@@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@@H]12 408720259 KLPQNXYFYHXWMR-KDXFCVBFSA-N 536.584 5.709 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C(=O)Oc4ccc5ccccc5c4C3=C[C@H](c3ccc4c(c3)OCO4)[C@@H]2C1=O 408733099 WBWJQNBYRMLQGM-YUJRYHFISA-N 574.545 5.307 5 40 KKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)o1 408833142 VUFPWABCJXJMFV-UQDCTOEPSA-N 551.649 5.857 5 40 KKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)c(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)cc1 408849877 AESJLKPVBYUDNA-KFOJKGMOSA-N 786.617 6.652 5 40 KKBB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 408915587 QDBIHTZETGFOOI-SWBDNCPRSA-N 726.207 6.484 5 40 KKBB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n32)cc1 408919875 DQXRVRITXTUDTL-QARYAGPDSA-N 654.564 5.839 5 40 KKBB COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)c([N+](=O)[O-])cc1OCc1ccccc1 408956354 RHCOZPWDHNZUQQ-IIMDPYCFSA-N 708.587 5.454 5 40 KKBB Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc([C@@H]5N[C@H](C(=O)O)CS5)cc4[N+](=O)[O-])sc3c2)cc1 408994275 YXKPWVJOKUDKTN-FDDCHVKYSA-N 552.659 5.705 5 40 KKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)cc1 409166133 BOWYBAGMPYGEIJ-QRVIBDJDSA-N 521.551 5.545 5 40 KKBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409171901 DDBYRKQNWLEOIG-FHQMNNMHSA-N 634.110 5.256 5 40 KKBB COc1ccc(NS(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)Nc5ccc(OC)cc5[N+](=O)[O-])cc4c3c2)c([N+](=O)[O-])c1 409227417 ZXKOOYXQJGVREA-UHFFFAOYSA-N 628.597 5.021 5 40 KKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1 409267712 XFNBAJPXZFICDB-ZVHZXABRSA-N 644.443 6.096 5 40 KKBB