smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1cccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2ncc(-c3ccccc3)s2)c1 82163775 YLOIFVCADFWESY-UHFFFAOYSA-N 497.555 6.636 5 1 JKBF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 82224565 JLMZLFQUULKNKR-ZHRRBRCNSA-N 479.968 5.626 5 1 JKBF COc1cc2nc(/C=C/c3ccccc3Cl)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2cc1OC 299858083 QEAAQAQAXRYOPK-KPKJPENVSA-N 463.877 5.135 5 1 JKBF O=C1c2ccccc2-c2cc(-c3c(Cl)c(Cl)c([N+](=O)[O-])c4c3OCCO4)nc3ccc(O)c1c23 586986181 OUJAOBFPYNDEMG-UHFFFAOYSA-N 495.274 5.805 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 587696539 PQLIETQGCTUPHS-CFMSYZGJSA-N 465.706 6.033 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 587746324 JNLYSRDZCUSGQM-IQMFZBJNSA-N 455.327 5.517 5 1 JKBF CC1(C(=O)O[C@H]2C[N+]3(C/C=C/c4ccccc4)CCC2CC3)c2ccccc2-c2ccccc21 1772653185 KYFKPDYXHLIICQ-ZGQLEKGKSA-N 450.602 5.839 5 1 JKBF COc1ccc(-c2ccccc2Cn2cnc3c(SCc4ccc([N+](=O)[O-])cc4)ncnc32)cc1 13584468 MLIVZRDGTMCRPT-UHFFFAOYSA-N 483.553 5.751 5 1 JKBF c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\CC2CCNCC2)cc1 27652359 JXTCZRRPDBTFKY-HMZBKAONSA-N 459.597 5.774 5 1 JKBF Cc1cc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878191 AEIULTNYUBLOMF-UHFFFAOYSA-N 452.264 5.574 5 1 JKBF O=C(CCc1nc2c3ccccc3c3ccccc3c2[nH]1)Nc1nnc(-c2ccncc2)s1 587024267 SAAVUCIUWNIIHJ-UHFFFAOYSA-N 450.527 5.354 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc([N+](=O)[O-])c1 587135561 HPXJCYODGOMRPI-UHFFFAOYSA-N 484.325 6.802 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1cc([N+](=O)[O-])ccc1Cl)CC2=O 587460883 HIKFPJWYTYZMBN-VWLOTQADSA-N 451.906 6.124 5 1 JKBF CCCc1c(O)ccc2c1O[C@](c1ccc(C)c(C)c1)(c1cc([N+](=O)[O-])ccc1Cl)CC2=O 587463785 ZVWBIRLFTHSGCD-AREMUKBSSA-N 465.933 6.432 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 587543995 CWXFXRAARKWZNY-URXFXBBRSA-N 463.829 5.917 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 587577579 SXFBMUAFFWJRIP-JYFHCDHNSA-N 456.454 5.439 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c(F)cccc3F)c(C)c2c1 587620015 OGZMXSQQODHPQP-UHFFFAOYSA-N 473.457 5.139 5 1 JKBF CC[C@H](C)c1ccc2[nH]c(C)c([C@H](c3ccc([N+](=O)[O-])cc3)[C@H]3C(=O)Oc4ccccc4C3=O)c2c1 587640621 BQUHXUSHESOJTK-YWCGKUAGSA-N 482.536 6.448 5 1 JKBF C[C@](O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857608907 BILACUPNENPNBG-INIZCTEOSA-N 468.375 5.114 5 1 JKBF CCN(CC)C(=O)c1sccc1-c1c2ccc(=[N+](C)C)cc-2sc2cc(N(C)C)ccc12 40846689 NTRBERQUICFCQV-UHFFFAOYSA-N 464.680 5.314 5 1 JKBF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCn1c([N+](=O)[O-])cnc1C 299821104 JUDAYKXYGKKYTB-UHFFFAOYSA-N 486.891 5.057 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1c([N+](=O)[O-])ccc(OCc3ccccc3)c1F)O2 587383032 WYXXIZHTNCQZRO-RUZDIDTESA-N 450.466 5.170 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 587547495 LVQQTPLPJQRCHB-ZEQKJWHPSA-N 489.867 6.449 5 1 JKBF CCC[N+]1(CC2=CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 13862636 SIUACFTVVKAHHV-UHFFFAOYSA-O 473.681 6.710 5 1 JKBF Cc1ccc2c(c1)[C@](OCC1(CO)CC1)(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C2=O 72125993 WYZAIUCULDUWHO-HHHXNRCGSA-N 492.959 5.203 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CC2=O 587459979 FINPSEPRUBBKII-QHCPKHFHSA-N 453.878 6.405 5 1 JKBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)c1ccc([N+](=O)[O-])cc1 587513259 QYLLHELVUYVPNK-SANMLTNESA-N 487.508 5.450 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccc([N+](=O)[O-])cc2)c2ccccc12 587574352 FMUWXBILEFQZFJ-LEAFIULHSA-N 478.460 5.947 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c3ccccc3cc3ccccc23)(C(F)(F)F)N1 587709329 KYACRYAMSBBZQO-JBEBIEQOSA-N 488.322 7.235 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(F)cc2[N+](=O)[O-])N1 587713696 CUWZKLDMDKKNAV-QZTNRIJFSA-N 462.088 5.022 5 1 JKBF O=C(N[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1)c1cc([N+](=O)[O-])ccc1Cl 621477436 JWWLOBGGIYEUQA-INIZCTEOSA-N 488.327 5.196 5 1 JKBF COc1cc2c(=Nc3ccc(C)cc3)c([N+](=O)[O-])c[nH]c2cc1OCCCN(C)Cc1ccccc1 1857571351 ZJUYEHSXNBHYBI-UHFFFAOYSA-N 486.572 5.526 5 1 JKBF COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCc2ccccc2F)c([N+](=O)[O-])cc1OC 775338 QONBRLFIABQISL-UHFFFAOYSA-N 495.438 5.142 5 1 JKBF CC1(C)CCC(C)(C)c2cc3c(cc21)N=C(c1ccc(C(=O)O)cc1)c1cc([N+](=O)[O-])ccc1N3 27420166 PIVDKRSORAYJEZ-UHFFFAOYSA-N 469.541 6.868 5 1 JKBF CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3cccc(C)c3nc2Cl)S1)c1ccc([N+](=O)[O-])cc1 72109659 IRDLDHFDBSFPHB-NRFANRHFSA-N 483.937 5.023 5 1 JKBF CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174604 MUTXNSNHEAMZNF-HDICACEKSA-N 463.582 6.230 5 1 JKBF CCc1ccc(NC(=O)Nc2ccc(N=c3c4ccccc4[nH]c4cc([N+](=O)[O-])ccc34)cc2)cc1 653771403 PBLBZNGCPYAABU-UHFFFAOYSA-N 477.524 6.668 5 1 JKBF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](c2cccc(F)c2)(c2cccc([N+](=O)[O-])c2)N1 963165007 BGOAOLSWYJOCGN-PGRDOPGGSA-N 494.828 5.297 5 1 JKBF C[C@@]1(c2cc([N+](=O)[O-])c(Sc3cccc(Cl)c3Cl)s2)NCCc2ccc(O)cc21 963341154 LWZACXKYLVIGIH-HXUWFJFHSA-N 467.399 6.229 5 1 JKBF O=C(Nc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2[C@@H](c2ccccc2Cl)c2ccccc21 3940276 ZKRJPKWKGUGURR-SANMLTNESA-N 469.928 6.981 5 1 JKBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccc(F)cc1 4214498 HXUXCHWTBLNNFX-GOTSBHOMSA-N 475.948 5.760 5 1 JKBF Cn1c2nc3ccccc3c-2c(NCCCN2C(=O)CCS[C@@H]2c2ccc(F)cc2)c2ccccc21 103081508 ZFSJMNIITHXUSO-GDLZYMKVSA-N 498.627 6.437 5 1 JKBF N=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 103286070 OUMSAVGHPAAZOC-WUZQXUMRSA-N 495.344 6.220 5 1 JKBF C[N@+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 299814871 VCNWWPPKTLBCIZ-BZEUYSDMSA-N 487.322 7.321 5 1 JKBF Brc1ccc(-c2nc(Cc3nc4c5ccccc5c5ccccc5c4[nH]3)cs2)s1 587019601 PCBLSTRWFXTYMY-UHFFFAOYSA-N 476.424 7.408 5 1 JKBF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1COc1cccc([N+](=O)[O-])c1 587579112 YSNXDAWHAQJBMC-LBNVMWSVSA-N 499.475 5.591 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c(C)c2c1 587620148 PWAXJANSMDMTSB-UHFFFAOYSA-N 455.467 5.000 5 1 JKBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C 587862972 NRWGNIYOGJZJCG-UHFFFAOYSA-N 499.449 5.036 5 1 JKBF O=[N+]([O-])c1cccc(C(F)(F)F)c1[C@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962644973 RSHDUXWMTDJWGG-NTKDMRAZSA-N 453.464 5.450 5 1 JKBF C[N+](C)(C)[C@H](COCCCCCCCCOc1ccc(OCc2ccccc2)cc1)c1ccccc1 40587683 XGWZOERUWWAXRH-JGCGQSQUSA-N 490.708 7.449 5 1 JKBF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1 82147894 IXHPCPRKGFPKOP-ZHRRBRCNSA-N 479.968 5.626 5 1 JKBF O=C(Nc1sc2c(c1-c1nc3cc(F)c([N+](=O)[O-])cc3[nH]1)CCC2)c1ccccc1Cl 587030520 GHLKSUXZFRZQSN-UHFFFAOYSA-N 456.886 5.733 5 1 JKBF Cc1ccc2c3c(cc(COc4ccc5c(oc(=O)c6ccccc65)c4C)nc13)-c1ccccc1C2=O 587101530 GXSVFAFDRCTMEM-UHFFFAOYSA-N 483.523 6.902 5 1 JKBF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C2CC2)n1 587229241 CHXNKGVQNBGBDX-UHFFFAOYSA-N 488.342 5.198 5 1 JKBF COc1cc2c3c(c1)O[C@@](c1ccc(Sc4ccccn4)c([N+](=O)[O-])c1)(c1ccccn1)[C@@H](C2)C3=O 587451650 KYPYNHAVUQFHMW-UZTOHYMASA-N 497.532 5.236 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)N1 587843570 IQUOSRZPDNHCFZ-NSPYISDASA-N 475.343 5.061 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)N1 587846695 QTNYOKINQSTLNI-FATZIPQQSA-N 487.394 6.412 5 1 JKBF O=c1ccc2cnc3ccc(-c4ccc5[nH]ncc5c4)cc3c2n1-c1ccc(F)c(C(F)(F)F)c1 71329090 RZUPLJHIFYYNEK-UHFFFAOYSA-N 474.417 6.240 5 1 JKBF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)C1 82135559 HIIYPUTYBDKVSY-ZRLCIXSHSA-N 491.636 5.653 5 1 JKBF Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@H]3c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 103208307 FARFLQIKUBSKKL-QHCPKHFHSA-N 475.486 5.133 5 1 JKBF O[C@H](CNC1CCCCC1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169338969 KBFAGTDCIXQLFR-JOCHJYFZSA-N 455.442 6.986 5 1 JKBF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c5ccccc5c5ccccc5c4[nH]3)c(Cl)cc12 587078141 IQIIFVBIQYKKJL-MRXNPFEDSA-N 482.967 7.722 5 1 JKBF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc([N+](=O)[O-])cc4Cl)c1)[C@@H](C2)C3=O 587420464 PVYAORQXWAAGRO-AVRWGWEMSA-N 481.888 5.333 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c1)CC2=O 587471782 UYCVAWZPEJGQRL-XMMPIXPASA-N 463.486 5.547 5 1 JKBF COc1ccc2c(c1OC)C[N@+]1(Cc3ccc(Cl)cc3)CCc3cc4c(cc3[C@H]1C2)OCO4 257833124 JFHJIDRQICNTGZ-RNWIMVQKSA-N 464.969 5.456 5 1 JKBF COc1ccc(-c2nc3sc(-c4ccccc4)nn3c2-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 299865236 SYHRVVPPIKMFTK-UHFFFAOYSA-N 468.498 5.585 5 1 JKBF O=C(O)c1cc2[nH]c(C(F)(F)C(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587089130 KEUYSVSSXWDKFV-UHFFFAOYSA-N 472.350 5.202 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccccc3C(=O)N3CCCC3)c([N+](=O)[O-])c1)O2 587390079 PJHVWTLGVAKLOE-RUZDIDTESA-N 487.512 5.220 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 587736819 XBZUQAULXRTCLT-YTEVENLXSA-N 491.357 6.410 5 1 JKBF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587963057 LHEMPFZPDOXQHR-UONOGXRCSA-N 482.492 5.003 5 1 JKBF O=C1c2ccccc2CS[C@]12ON=C(c1ccc(Cl)cc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 31909960 AUYAUUMMBWPIBH-REWPJTCUSA-N 450.903 5.592 5 1 JKBF CCCCN(CCCC)CC[C@H](C)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 40862044 LKVNURKRVGJJRU-SFHVURJKSA-N 498.460 9.714 5 1 JKBF CSc1nc([N+](=O)[O-])cn1C[C@@H](OCc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl 66097981 BVOAJQCXKUFKBE-QGZVFWFLSA-N 474.316 6.056 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2ccc(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 169337776 FZVFBMMPLVSSDF-JOCHJYFZSA-N 486.405 8.254 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(F)c(Br)c2[nH]1 587053827 GYTMCCAUKJVHTB-OAHLLOKOSA-N 469.698 5.153 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cc1Cl 587161534 VEYIHYVEXHJVBR-UHFFFAOYSA-N 463.650 5.880 5 1 JKBF CC(C)CCOc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1Br 587268778 FISCWDYPHAWHOZ-UHFFFAOYSA-N 462.300 5.050 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)[C@H]1c1ccc(F)cc1 587342425 NJMPKFFDHYPBQD-LSYYVWMOSA-N 495.466 5.390 5 1 JKBF COC(=O)c1ccccc1Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587507104 AHKSVXGYCHEDJW-VWLOTQADSA-N 473.481 5.759 5 1 JKBF CCOP(=O)(OCC)[C@H](NCCC[N+](C)(C)CC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1857569563 JQSPLORAGYLIIJ-DEOSSOPVSA-O 485.670 6.328 5 1 JKBF C[N+](C)(C)c1ccc(C(=O)OCCCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1 27084987 JGAWEZXFEBDPNZ-UHFFFAOYSA-N 452.575 5.944 5 1 JKBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(Cc2ccccc2)CCN1C3 72112782 FDVFOGJKMVRBMQ-NRFANRHFSA-N 468.597 5.261 5 1 JKBF O=[N+]([O-])c1cccc(-c2nc(NCc3ccccc3F)ncc2-c2nc3ccccc3s2)c1 82163824 QUIGWIZGLZCPCG-UHFFFAOYSA-N 457.490 6.080 5 1 JKBF O=[S@](CCCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(Br)cc1 586960269 NWSGEQFBPRAOMQ-GDLZYMKVSA-N 465.376 5.162 5 1 JKBF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c3cccnc3c3ncccc3c2[nH]1 587088498 YDUYJQQTRPYPKE-KHPPLWFESA-N 485.378 6.690 5 1 JKBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 587866360 YYUYFACJFGQZDW-CQSZACIVSA-N 463.412 5.292 5 1 JKBF CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)NC2(CC2)Cc2ccc(Br)cc21 961324759 OELLPCZNLRMGCG-XMMPIXPASA-N 482.353 5.508 5 1 JKBF Cc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2Cc2ccccc2)cc1 1857607801 YCFWFKMMNVOITE-UHFFFAOYSA-N 461.503 5.411 5 1 JKBF O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 775213 NDFAFPZXYPCGFJ-KRWDZBQOSA-N 495.894 5.043 5 1 JKBF CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4051440 FXGDTEVQGMOVAA-NOZRDPDXSA-N 491.975 5.954 5 1 JKBF Cc1ccccc1-c1ccccc1Cn1cnc2c(SCc3ccc([N+](=O)[O-])cc3)ncnc21 13584474 CUGSHRCAYDUWJY-UHFFFAOYSA-N 467.554 6.051 5 1 JKBF CCCCN(CCCC)c1ccc2nc3c4ccccc4/c(=N/c4ccncc4)cc-3oc2c1 71331191 DCKAAUUMDTUMPG-GKPLWNPISA-N 450.586 7.120 5 1 JKBF COc1ccccc1CCNC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82150027 FJHJPPWOPHJHBT-UHFFFAOYSA-N 489.576 5.025 5 1 JKBF CCc1cnc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174804 XDCOEPVWQNPWMJ-UHFFFAOYSA-N 485.491 6.369 5 1 JKBF C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586993582 JCINXNMHXKVZOI-MRXNPFEDSA-N 485.495 6.551 5 1 JKBF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587034997 RMKPOSVZFZUAPR-CQSZACIVSA-N 473.352 5.720 5 1 JKBF N[C@H](N=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 587037098 DNXUKZQEEJLPRC-LJQANCHMSA-N 462.516 5.623 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1Sc1nc2ccccc2s1 587038007 OUMTWOKZCBHASN-UHFFFAOYSA-N 494.470 5.715 5 1 JKBF CC(C)OC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103697 AAZNMRZZZAPLIB-UCQKPKSFSA-N 464.477 5.847 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc([N+](=O)[O-])c2)N1 587683732 WYXJVPZSQMAYAE-VVVCHXIZSA-N 458.125 5.057 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)N1 587699443 XDCBDYZUFPAAPW-BIBXISHDSA-N 464.722 5.564 5 1 JKBF COc1cc(C(=O)c2cn(-c3ccccc3)cc2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 1857605868 LDPLBBDYNUROSH-UHFFFAOYSA-N 458.470 5.309 5 1 JKBF COc1ccc([N+](=O)[O-])cc1CSc1nc(N)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3 1857746567 WKEGXHATYBEDST-CYBMUJFWSA-N 458.609 5.634 5 1 JKBF O=C1C[C@@H](c2ccc(-c3ccccc3)cc2)Sc2ccccc2N1Cc1ccccc1[N+](=O)[O-] 1857767375 UHYDECGWRNBBOU-MHZLTWQESA-N 466.562 7.032 5 1 JKBF Cc1c(Cc2c(Cl)cccc2Cl)nc(SC/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O 28862940 LGLGBCYKVXGUKZ-ONEGZZNKSA-N 462.358 5.690 5 1 JKBF O=C(Nc1cccc([N+](=O)[O-])c1)O[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 136877344 GKPYSHUAQDVIOU-CLJLJLNGSA-N 457.530 5.438 5 1 JKBF CCCN(CCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169337810 OLXULQQRJPFDQD-QFIPXVFZSA-N 457.458 7.186 5 1 JKBF C[N+](C)(C)[C@H]1Oc2c(cc3cc[nH]c4ccnc2c34)O[C@@H]1c1c[nH]c2cc(Br)ccc12 205429716 JMYHWMDDEZDVEJ-VWNXMTODSA-N 478.370 5.505 5 1 JKBF CC[N+](CC)(C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(C)C)C[C@@H]3CC[C@@H]12)C[C@@H]1CO1 299840606 VOGJOTZFTRGYEH-TYUMWOBRSA-N 492.765 5.441 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 587570827 MBSGKFHKAGXSJS-ZEQKJWHPSA-N 491.858 5.998 5 1 JKBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccccc2Br)c1O 587943030 IVOPSXNNFUILBS-UHFFFAOYSA-N 486.091 5.436 5 1 JKBF Cn1cc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c2nc3ccccc3cc2c1=O 963817776 PUUISCIVOJOPDO-GDLZYMKVSA-N 486.575 5.382 5 1 JKBF CC1(C)C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1C(F)(F)F 1857586859 NAIVKHGYMDQGQA-UHFFFAOYSA-N 461.318 5.384 5 1 JKBF CCCCCc1nc(-c2cnc(NCc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174741 QBVHWMHUZMWZJY-UHFFFAOYSA-N 457.534 6.360 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c4cccnc4c4ncccc4c3[nH]1)N2 587032948 WGMYUUIZECMVKR-BVTUPMQUSA-N 472.599 5.786 5 1 JKBF COc1cccc(-c2cc(-c3cc(Br)ccc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587357320 GKBQKXXIRRKBFB-UHFFFAOYSA-N 475.298 6.994 5 1 JKBF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1cc([N+](=O)[O-])ccc1Cl)CC2=O 587460882 HIKFPJWYTYZMBN-RUZDIDTESA-N 451.906 6.124 5 1 JKBF C[C@@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576605 PBQBGBSSRAYOFD-IGKIAQTJSA-N 469.449 5.970 5 1 JKBF COCCOc1ccc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1[N+](=O)[O-] 587265678 PZTNSFBZVPMFPO-UHFFFAOYSA-N 478.343 5.351 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 587547494 LVQQTPLPJQRCHB-OZXSUGGESA-N 489.867 6.449 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 587552154 NWHPSMITROLCFI-JYFHCDHNSA-N 489.867 6.449 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)c(F)cc3F)c(C)c2c1 587620031 OZKQMFGVQRPELB-UHFFFAOYSA-N 491.447 5.278 5 1 JKBF CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587644857 DTYOINXCGOAGHE-CGRWFSSPSA-N 474.567 9.003 5 1 JKBF Cc1cc2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc2cc1[N+](=O)[O-] 587957224 IMJVUXRIVLCSSR-UHFFFAOYSA-N 457.703 9.220 5 1 JKBF Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1C 72177371 IQMDGCPCDZCCJY-RUZDIDTESA-N 454.555 6.691 5 1 JKBF COc1ccc(Cl)cc1C(=O)Nc1ccc(C2=NN(C)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 96934186 BIOSXSSWEOAGCO-JOCHJYFZSA-N 464.909 5.290 5 1 JKBF Cc1ccc(-c2nc3ccccc3c3c2c(-c2ccccc2)c(-c2ccccc2)n2c(=S)[nH]nc32)cc1 98085424 SWUOOOKORMXLPL-UHFFFAOYSA-N 494.623 8.403 5 1 JKBF O=C(O[C@H]1C[N+]2(Cc3nc(-c4ccccc4)no3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1 103278230 HSIJWKXHMVAASP-LAAOYOPBSA-N 474.625 5.616 5 1 JKBF O=[S@](CCCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(Br)cc1 586961361 VGBPNONPXBAVOQ-GDLZYMKVSA-N 463.400 6.372 5 1 JKBF Cc1onc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079375 JHKWDWCGPQXZBG-UHFFFAOYSA-N 466.910 5.484 5 1 JKBF C[C@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335212 ZVUTYHFSINPTBG-JTHBVZDNSA-N 491.393 5.698 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CC2=O 587459133 CAYVOFWTGSBOTM-HSZRJFAPSA-N 453.878 6.405 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 587576216 NIZMCTZHTGPZRG-ZEQKJWHPSA-N 455.422 5.796 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)N1 587747719 PVBJREOCNURIFF-FATZIPQQSA-N 470.342 5.888 5 1 JKBF COc1cc(/C=C2/S[C@H](c3ccccc3)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OC 1860878 NZVKIFPBOUWGEQ-BLJGQIRFSA-N 478.526 5.440 5 1 JKBF CCCCCc1nc(-c2cnc(NCC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163524 FKSRTWJWALUSMS-UHFFFAOYSA-N 463.582 6.740 5 1 JKBF Cc1ccc(-c2csc3ncnc(SCc4nc5c6ccccc6c6ccccc6c5[nH]4)c23)cc1 587037290 CWBJPSFCIIPWAF-UHFFFAOYSA-N 488.641 8.142 5 1 JKBF FC(F)(F)c1ccc(Oc2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)cc1 587113649 WJLNGULEOASNSC-UHFFFAOYSA-N 454.451 8.347 5 1 JKBF COc1cccc(-c2cc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587362688 JLKKPEQJDIKWIV-UHFFFAOYSA-N 456.454 6.249 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] 587860574 XLFJMRDJCNCOPI-GFCCVEGCSA-N 450.278 5.272 5 1 JKBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(COc2ccc(C)cc2[N+](=O)[O-])c1 587871453 HPLJBBBMAFKCAW-UHFFFAOYSA-N 475.476 5.572 5 1 JKBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCCc2ccc(F)cc2)cc1 774004 NBNWNVOFHSPWAH-UHFFFAOYSA-N 495.894 5.690 5 1 JKBF CCCCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] 13726489 HBZHFOIRLAOODA-UHFFFAOYSA-N 465.576 5.105 5 1 JKBF O=[N+]([O-])c1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1 82149961 LMBHSQMAJGISMT-BXCBQBLLSA-N 467.569 6.241 5 1 JKBF C[C@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C 105175908 QDNSTRBQILXZAD-WRGFRKCQSA-N 491.636 5.939 5 1 JKBF O=C(O)c1cc2[nH]c(-c3cc(S)ccc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587142887 PLYIOYNCTSYPNJ-UHFFFAOYSA-N 498.491 5.940 5 1 JKBF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Oc1nn(C)cc1[N+](=O)[O-] 587511203 FFNVAPZFMISTJL-QFIPXVFZSA-N 463.490 5.105 5 1 JKBF CCC[C@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(C)C 587956190 ZKAHHHKXVNPSMV-KRWDZBQOSA-N 470.525 6.385 5 1 JKBF CCN(CC)CCCc1cccc2c1[nH]c1c3ccc4ccn(C)c4c3c3c(c21)C(=O)NC3=O 13535160 DJKBFCHOHWZUOH-UHFFFAOYSA-N 452.558 5.124 5 1 JKBF CCCCCc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163428 FEOPACZWEIIFMI-UHFFFAOYSA-N 489.551 6.542 5 1 JKBF CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174204 RHYQUQSQMCEDOY-JTSKRJEESA-N 463.582 6.739 5 1 JKBF CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@]2(Cc3ccccc3C2=O)[C@]12C(=O)c1cccc3cccc2c13 95590064 XGWFPPLKTYXBSW-CPESWEKQSA-N 474.516 5.294 5 1 JKBF Brc1ccc(COc2ccccc2-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 586998762 QLUJGAJGXMUEBK-UHFFFAOYSA-N 481.353 6.668 5 1 JKBF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cc([N+](=O)[O-])c(Cl)cc1Cl)CC2=O 587461732 SNKGBYGRGIGZIS-JOCHJYFZSA-N 482.316 5.374 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(F)cc2[N+](=O)[O-])N1 587720501 RXHSHZXPOCXGPJ-GYKQLYQFSA-N 462.088 5.022 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc([C@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)co2)cc1 962643973 QSJTYTWLZOVTTF-JYFHCDHNSA-N 452.514 5.086 5 1 JKBF O=C1c2ccccc2[C@@](O[C@@H]2C=C[C@@H](O)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 66114388 PUIQNHJMZHDIFX-NOTUOJBMSA-N 490.943 5.201 5 1 JKBF Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82174824 VICQQPMGYYTFEN-UHFFFAOYSA-N 479.565 6.763 5 1 JKBF COc1ccc(-c2csc(-c3ccc(-c4ccccc4[N+](=O)[O-])c(C(=O)O)c3)n2)c(F)c1 205009024 OETXXTDQPXASRA-UHFFFAOYSA-N 450.447 5.898 5 1 JKBF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 586945172 AKZFMEITLSMFIB-UHFFFAOYSA-N 459.552 5.669 5 1 JKBF CCOc1cc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(Br)c1OC 586977351 FPUBWRFVKZUJMJ-CMDGGOBGSA-N 475.346 6.000 5 1 JKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)o1 587266133 VRSZEEGPVNMOKL-UHFFFAOYSA-N 452.186 6.179 5 1 JKBF C[C@]1(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587498645 PBWBETDPFLSNLI-LJQANCHMSA-N 471.724 5.235 5 1 JKBF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCn1c([N+](=O)[O-])cnc1C 587512353 NAMTZPWFUNALHQ-XMMPIXPASA-N 491.544 5.163 5 1 JKBF CCc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587752321 RAIPQJYJZJRVEZ-DMZKTXOQSA-N 459.315 5.478 5 1 JKBF CCCC/C=C/c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587965403 LPOHYZSDNWPMAC-AATRIKPKSA-N 454.482 6.048 5 1 JKBF O=[N+]([O-])c1cc(F)c(Br)cc1[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962950570 HFIVIZFUGMFLMK-SFHVURJKSA-N 489.263 5.256 5 1 JKBF COc1ccc2c(c[n+]3c4c2cc(Cc2cc(C)cc(C)c2)c2c5c(cc(c24)CC3)OCO5)c1OC 1857538154 CEEXSYJWTYEXSM-UHFFFAOYSA-N 478.568 5.943 5 1 JKBF O=[N+]([O-])c1ccc2c(c1)C1=NN(c3ccccc3)[C@H](c3ccccc3Br)[C@H]1CCC2 6041298 XJCLRQALYIQTDK-GBXCKJPGSA-N 462.347 6.275 5 1 JKBF CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)c4cccnc4oc3c2)c1 13781328 ZYNRLEQFTJNNFH-UHFFFAOYSA-N 489.572 5.131 5 1 JKBF CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc3ccc4cccc5ccc2c3c45)c1)C(=O)O 73313429 WXYOTFKPGLXJBW-IBGZPJMESA-N 465.549 6.176 5 1 JKBF in-vitro C[C@@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C 82148580 QDNSTRBQILXZAD-GOMRNUEMSA-N 491.636 5.939 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3ccc4ncccc4c3[nH]2)ccc1Sc1nc2ccccc2s1 587038408 SMKOVZFSZLYDDE-UHFFFAOYSA-N 455.524 6.447 5 1 JKBF Cc1cc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2cc1[N+](=O)[O-] 587077858 YUCOATBKCIDZPD-LGMDPLHJSA-N 466.928 7.135 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)C)c(Cc3cccc(N)c3)c2c1 587621021 LTZCEIDEUPSNEE-UHFFFAOYSA-N 494.573 5.182 5 1 JKBF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1c([N+](=O)[O-])ccc(OCc2ccccc2)c1F 587622082 AFVOGTHXHFONKP-UHFFFAOYSA-N 495.308 6.408 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 587751690 NVNCBOKHNPXMFF-ODCWNRFASA-N 494.364 6.123 5 1 JKBF C=CC(=O)Nc1cc(-n2c(=O)ccc3ccc4ccc(-c5ccc6ccncc6c5)cc4c32)ccc1C 1772570933 QBHIXIBUDDJJQC-UHFFFAOYSA-N 481.555 6.792 5 1 JKBF Cc1cc(S(=O)(=O)N2CCN(c3nc4ccccc4c4ccccc34)CC2)c(C)cc1Cl 1772571816 GFXQTAKJBJMMQM-UHFFFAOYSA-N 466.006 5.169 5 1 JKBF COc1cc2oc(=O)ccc2cc1[C@@H](C=C(C)C)c1c(O)cc2c(c1O)c(=O)c1cccc(O)c1n2C 13307617 BKMYROCJHYRJQO-GOSISDBHSA-N 499.519 5.022 5 1 JKBF biogenic CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)c(CCCNc2ccc([N+](=O)[O-])c3nonc23)c1 29398325 UEXTVXPWIGUXFY-FGZHOGPDSA-N 490.560 6.274 5 1 JKBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CN(Cc2ccccc2)CN1C3 72112664 AHRYGTLQKLFDDU-HXUWFJFHSA-N 454.570 5.219 5 1 JKBF O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(Cl)cc1C(F)(F)F 103280245 GMFOYUXWXSWZEJ-UHFFFAOYSA-N 465.093 5.986 5 1 JKBF CC(C)=CCC[C@]1(C)C=Cc2cc3c(=O)c4c(O)cc5c(c4oc3c(O)c2O1)C=CC(C)(C)O5 238736176 RXLXNBUNYYKWKN-MUUNZHRXSA-N 460.526 6.452 5 1 JKBF CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587073521 KGOSHGYMYFBYDU-QHCPKHFHSA-N 491.375 6.247 5 1 JKBF O=C(CSCc1nc2cc3nc4ccccc4nc3cc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587112780 CVUGAVXEQQVNPZ-UHFFFAOYSA-N 467.476 5.550 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(F)cc(Br)cc4[nH]3)cc2)nc1C(F)(F)F 587117182 AUFPTHDWUCDXNH-UHFFFAOYSA-N 484.207 5.303 5 1 JKBF CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c12 587169225 XYVRQYUTAQFVTA-UHFFFAOYSA-N 457.469 5.407 5 1 JKBF O=C1c2ccc(O)cc2OC2(c3cc([N+](=O)[O-])ccc3-c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 587342092 LSGFZZYHSIVCPL-VWLOTQADSA-N 498.422 5.631 5 1 JKBF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc([N+](=O)[O-])cc4Cl)c(F)c1)[C@@H](C2)C3=O 587426473 OMRZINQAISGYJL-NPMXOYFQSA-N 455.825 5.677 5 1 JKBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1[N+](=O)[O-] 587575275 IMPOZXFSUAPDON-LBNVMWSVSA-N 499.475 5.591 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 587749483 YOOZARWYWZFCMY-BSEYFRJRSA-N 495.352 5.393 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586949175 SVHPYPFFYVURRA-UHFFFAOYSA-N 494.426 5.405 5 1 JKBF Brc1ccc([C@@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)N2CCCC2)cc1 586984643 IBYPRXOUTNVBAQ-VWLOTQADSA-N 456.387 6.817 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587057474 XGONYIOQEWIDFS-HNNXBMFYSA-N 491.804 5.301 5 1 JKBF CCC[C@@H](c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199885 TXSCADGZCJHEDX-VWLOTQADSA-N 484.556 6.502 5 1 JKBF CC[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963192873 PLPHAHGFNNSHER-MAUKXSAKSA-N 463.239 5.173 5 1 JKBF O=C(O)c1ccc(Cl)c(NCc2ccc(Sc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)c1 1911574782 RSWPJOHSCCISHC-UHFFFAOYSA-N 483.760 7.017 5 1 JKBF COc1ccccc1CCNc1ncc(-c2nc(C)c(C)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163912 GNVJXORBUPWLPU-UHFFFAOYSA-N 461.547 5.455 5 1 JKBF CC(C)CC(=O)c1c(Nc2ccc(Cl)cc2F)nc2c(Cl)ccc([N+](=O)[O-])c2c1O 84604842 HQFCKQLIQSYTSC-UHFFFAOYSA-N 452.269 6.267 5 1 JKBF CCCCOc1cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2cc1Br 586968854 KEKHYGRYGYSOCX-UHFFFAOYSA-N 478.412 6.828 5 1 JKBF C[C@@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199724 LQRPDLCGYFBCBF-FQEVSTJZSA-N 497.598 7.811 5 1 JKBF Cc1ccc([C@@]2(c3ccc(Cl)c([N+](=O)[O-])c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587697986 XSEUIIHEDRQLAH-FATZIPQQSA-N 489.772 6.284 5 1 JKBF O=C1/C(=C\c2cccc(Oc3ccccc3)c2)S[C@@H](c2ccccc2)N1c1cccc([N+](=O)[O-])c1 5925219 HASDQCQFFUQSSC-IAOUMNOZSA-N 480.545 7.207 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2ncc(-c3ccccc3)s2)cc1 82174470 WTWDQBXECLCFEI-IBGZPJMESA-N 459.531 5.433 5 1 JKBF Cc1ccc2[nH]c3c(c2c1)c1ccccc1c(=O)n3C(=O)n1nc(-c2ccccc2)cc1-c1ccccc1 98084163 RVKSIBPNSZYPMP-UHFFFAOYSA-N 494.554 6.991 5 1 JKBF O=[N+]([O-])c1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)ccc1Cl 587049097 HAKDDFWNPXTOAQ-WTDSWWLTSA-N 489.340 5.749 5 1 JKBF COc1cccc(-c2cc(-c3cc4c(=O)c5cc(C)ccc5oc4nc3C)nc3c2oc2ccccc23)c1 587363171 OKHWIEMZXMNNFL-UHFFFAOYSA-N 498.538 7.595 5 1 JKBF Cc1ccncc1[C@@]1(c2cccc([N+](=O)[O-])c2)NC2(CC2)Cc2ccc(Br)cc21 961617281 UOIDANHCFLYZQH-QHCPKHFHSA-N 450.336 5.031 5 1 JKBF COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3c(-c3ccccc3)c2C(C)=O)cc(OC)c1OC 1857535036 HVMFVOSSJFDAAD-ZRDIBKRKSA-N 484.508 6.209 5 1 JKBF Cc1ccc(SC(C)(C)[C@H]2OC[C@H](C/C=C\CCC(=O)O)[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1 36242467 KBYHRISSWBEZAH-XLUHQYITSA-N 486.590 5.710 5 1 JKBF COc1cc2cc(C(=O)[C@H]3CC[N+](C)(Cc4ccccc4)CC[C@H]3OC)sc2cc1OC 36286887 RANOFWRVYDDHPM-QVRKZYGESA-N 454.612 5.173 5 1 JKBF O=c1cc(COc2ccc(-c3cc(-c4ccccc4)nc(=S)[nH]3)cc2)c2c(ccc3ccccc32)o1 49803652 CLQKTNNHAHARCW-UHFFFAOYSA-N 488.568 7.312 5 1 JKBF C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C 82174320 JWQOCLGOVQYSGG-XFSCSUFISA-N 485.613 6.811 5 1 JKBF CCCCCc1nc(-c2cnc(NCc3ccccc3F)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174759 LVGXHRPJZIZPAB-UHFFFAOYSA-N 475.524 6.499 5 1 JKBF O=C(N[C@@H](c1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 587221758 IAJZKSUBGRZVET-SANMLTNESA-N 490.519 6.099 5 1 JKBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1)[C@@H](C2)C3=O 587449131 BEXMXIALPAKHDJ-YADARESESA-N 467.930 6.038 5 1 JKBF COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2ccc([N+](=O)[O-])cc2)c1O 587942486 ZQWLOKLWELVMTM-UHFFFAOYSA-N 452.850 5.918 5 1 JKBF O=[N+]([O-])c1ccc(-c2nn(-c3ccc(Br)cc3)cc2[C@H]2CC(c3ccccc3)=NN2)cc1 299860969 KDOVKXDHKNBNMQ-HSZRJFAPSA-N 488.345 5.649 5 1 JKBF Brc1cc(/C=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc2c1OCCO2 587001195 LWBYYGJAGVJKGY-AATRIKPKSA-N 459.303 5.363 5 1 JKBF COCCOc1ccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1[N+](=O)[O-] 587264697 HUUTUPKGPWNDGR-UHFFFAOYSA-N 498.333 5.505 5 1 JKBF CCCCCOc1cc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2cc1Br 587271486 CRWKECFCFQIKQV-UHFFFAOYSA-N 496.361 7.262 5 1 JKBF O=C(O)c1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587345541 ZXFBVXUMKBHVHS-NAKRPHOHSA-N 499.450 5.440 5 1 JKBF CN(c1ccccc1)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587575321 JCIYZSPQCMOPIR-SHQCIBLASA-N 468.465 5.771 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c3ccccc3cc3ccccc23)(C(F)(F)F)N1 587709330 KYACRYAMSBBZQO-LFPIHBKWSA-N 488.322 7.235 5 1 JKBF COC(=O)c1ccc(Oc2ccc([C@@H]3c4c(ccc(OC)c4OC)C[C@H](C)N3C)cc2[N+](=O)[O-])cc1 962620334 GXMCUKZXOURBQX-IVCQMTBJSA-N 492.528 5.157 5 1 JKBF CN1CCc2c(Br)cccc2[C@]1(CCC(C)(C)[N+](=O)[O-])c1ccc(Cl)cc1 963280140 NASBQLUUYBPOBR-NRFANRHFSA-N 451.792 5.670 5 1 JKBF O=c1nc(N2CCC3(CC2)CN(CC2CCCCC2)C3)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1772627792 KCHSOSVTXUWIMX-UHFFFAOYSA-N 496.555 5.066 5 1 JKBF CC[N+](C)(C)CCN[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C 1857547967 PZWHVWKFYQSSJG-VWLOTQADSA-O 499.697 6.715 5 1 JKBF O=[N+]([O-])c1cccc([C@H]2c3sc4ccc(Cl)cc4c3N=C3NN=C(c4cccc(F)c4)N32)c1 1857554914 SRSPZSHXNHUKQC-FQEVSTJZSA-N 477.908 5.960 5 1 JKBF Cc1cccc(CCC[N+]23CCC(CC2)[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C3)c1 1857563732 GIXUITONJFXENE-IIIFQBMYSA-N 470.633 5.016 5 1 JKBF CC1(C)O[C@H](C(=O)Nc2cc3c4ccccc4ccc3c3ccccc23)[C@H](C(=O)N2CCCCC2)O1 6041707 BTAWMAVYABIPDI-RRPNLBNLSA-N 482.580 5.617 5 1 JKBF Cc1c([C@H](C)c2c(Cl)cccc2Cl)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O 28862820 COXWAYUMAGGCPQ-LLVKDONJSA-N 450.347 5.737 5 1 JKBF O=C(NCc1ccccc1Cl)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 82135901 LWIOTSCJYYKIFP-UHFFFAOYSA-N 473.920 5.247 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccc1Sc1nc2ccccc2s1 587038412 SOQVIVHLHQHOAT-UHFFFAOYSA-N 462.512 5.670 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2nc3ccc([N+](=O)[O-])cc3s2)N1 587856044 HTLHIJNSCUWFOJ-OVWNDWIMSA-N 482.400 5.648 5 1 JKBF C[N+](C)(C)c1ccc(C(=O)OCCCCCCCn2ccc3cc(OCc4ccccc4)ccc32)cc1 26992826 LDWPCKIXYZVUNE-UHFFFAOYSA-N 499.675 7.225 5 1 JKBF CC(C)(C)c1ccc(C(=O)OC[C@@](C)(O)c2cc3cc([N+](=O)[O-])c(C(F)(F)F)cc3[nH]2)cc1 34801525 RCRCQCOQIYUMJI-JOCHJYFZSA-N 464.440 5.457 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2c(Cl)cc(Cl)cc12 169337831 VBVJEQQMXRHXBD-HSZRJFAPSA-N 487.298 8.542 5 1 JKBF C[N@@+]1(Cc2ccc(-c3ccccc3)cc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 254132924 QDCILXFPWMMNQY-QHPYGSKZSA-N 456.606 5.313 5 1 JKBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 587050984 SWWONGVHIYCCAK-PFONDFGASA-N 482.971 6.913 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(OCc5ccccc5)ccc4[nH]3)cc2)nc1C(F)(F)F 587118891 QYPWDMWPWCJGCC-UHFFFAOYSA-N 493.445 5.981 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3cc(C)ccc3[N+](=O)[O-])c1)CC2=O 587473373 SWPSQGANOHQEGR-RUZDIDTESA-N 477.513 5.855 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccccc2[N+](=O)[O-])o1 587577984 VGBDJFOKVCIDQY-RCZVLFRGSA-N 459.410 5.175 5 1 JKBF CCCCCn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccccc2Cl)c2ccccc21 587644927 RBWLZGKIWPQALJ-UHFFFAOYSA-N 457.961 8.208 5 1 JKBF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccc([N+](=O)[O-])cc1 587753575 VREVVEVBDIURQQ-NPMABZOXSA-N 487.325 5.921 5 1 JKBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(Sc3ccc(Cl)cc3)cc(Cl)cn12 1857587280 GMELBBZUKRQOIY-UHFFFAOYSA-N 494.381 5.674 5 1 JKBF CN(CCCCCCCCNC(=O)c1cccc2c(O)c3ccccc3nc12)Cc1ccccc1 13603186 RWRAXRAZYXBTNI-UHFFFAOYSA-N 469.629 6.296 5 1 JKBF O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccc(F)cc1C(F)(F)F 96269759 XISIJMIPHPQCQQ-UHFFFAOYSA-N 492.432 6.230 5 1 JKBF CCCCCCC(=O)OCc1ccc(NCCN(CC)CC)c2c(=O)c3ccccc3sc12 101332193 UPJRHHBHYAGJBU-UHFFFAOYSA-N 468.663 6.182 5 1 JKBF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@+](C)(CCc4ccccc4)[C@H]2N3C)cc1 253806892 QAOKOBSRMLDYEY-LCWGXVBVSA-O 484.664 6.548 5 1 JKBF COC(=O)c1ccc(Oc2ccc3nc(-c4cc([N+](=O)[O-])ccc4SCC(C)C)[nH]c3c2)cc1 586973127 NZSPRASXVLGSHH-UHFFFAOYSA-N 477.542 6.465 5 1 JKBF Cc1ccc2c3c(cc(/C(=C\c4cccc([N+](=O)[O-])c4)C(=O)OC(C)C)nc13)-c1ccccc1C2=O 587096925 DXGIMNCTUCDCIF-ZVHZXABRSA-N 478.504 6.155 5 1 JKBF CCCOc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br 587266617 LTKRAHCNEDPSEQ-JTQLQIEISA-N 464.276 5.104 5 1 JKBF O=C(c1ccc(Cl)cc1Cl)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587644752 MPNFIKHTJCEQOZ-UHFFFAOYSA-N 480.134 7.588 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 587753664 WDWNUFXLSBHXSJ-PSLXWICFSA-N 471.326 6.086 5 1 JKBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccccc2F)cc1 13584458 CFKXCKYJXCFJFA-UHFFFAOYSA-N 471.517 5.881 5 1 JKBF Cc1oc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163673 UAJKVOFZWNYPLH-QZTJIDSGSA-N 469.545 6.165 5 1 JKBF C[N+]1(Cc2ccc(-c3ccccc3)cc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 100375591 QDCILXFPWMMNQY-UHKVARFQSA-N 456.606 5.313 5 1 JKBF in-man Cc1cc(C(=O)N2CCC([N+]3(C)CCCC3)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 205655024 CGOSPBRFEXUIFP-UHFFFAOYSA-N 474.600 5.833 5 1 JKBF COc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c(C)c1[N+](=O)[O-] 587545271 ONANPZZTPZDRJD-JPYJTQIMSA-N 455.850 5.148 5 1 JKBF COc1ccc2c(c1OC)[C@]1(c3ccccc3CC[C@H]1c1ccc([N+](=O)[O-])c(F)c1)N(C)[C@H](C)C2 962628274 ORYPYCPOMBTZFR-PFQZKDIJSA-N 476.548 5.601 5 1 JKBF CC[C@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@+](C)(C(C)C)C2 1857620032 YUJQPTMYSRETHW-SFNQZPIRSA-O 471.716 5.653 5 1 JKBF COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCC2CCCCC2)cc1 773936 NJGMMPALRQKZFQ-UHFFFAOYSA-N 495.532 5.253 5 1 JKBF O=C(NCCc1ccccc1F)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2480194 QHLFOXUJLMETSL-UHFFFAOYSA-N 483.858 5.821 5 1 JKBF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82147798 MWTPLIPTYQFWQF-VGOFRKELSA-N 451.571 5.353 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 82174418 BHJYYRMVQIGWSU-UHFFFAOYSA-N 459.531 5.451 5 1 JKBF CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(O)CC(C)(C)CC2=N1 104097122 QHLFDUFUBIVNCH-XMMPIXPASA-N 490.512 5.511 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(I)cc2[nH]1 586969413 RFWMBJADRPVOTM-UHFFFAOYSA-N 453.305 5.491 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 587012491 YIEKAEPUIFYKOQ-UHFFFAOYSA-N 486.372 7.001 5 1 JKBF Cc1c(C(=O)Nc2cccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2)cccc1[N+](=O)[O-] 587099183 YLWIDGIONGSWSW-UHFFFAOYSA-N 499.526 6.891 5 1 JKBF C[C@@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579394 ZIGAEESHZCVRPD-BVAGGSTKSA-N 460.486 5.168 5 1 JKBF O=C(c1ccc(OC(F)F)cc1)c1c(-c2ccc(OC(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587646446 SYKNACFNUNQGJN-UHFFFAOYSA-N 474.366 6.177 5 1 JKBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(COc2ccc([N+](=O)[O-])cc2)c1 587871266 DUQFQTDNFRWGHB-UHFFFAOYSA-N 461.449 5.264 5 1 JKBF CC(C)CNC(=O)c1c(-c2ccc(COC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2)oc2ccccc12 1772647847 WVHXLTXLILOFII-UHFFFAOYSA-N 488.496 5.456 5 1 JKBF COc1oc([C@@H]2C[C@]3(CO2)[C@H]2C(C)=CC(C)=C[C@@]2(C)[C@H]3c2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C 3985916 DXCYJJKWPZZHNZ-KAKVGEDNSA-N 477.557 5.947 5 1 JKBF in-vitro O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)[C@H]3c4cc(Br)ccc4OC[C@@H]23)c1 5823932 USKXNVQGGUMSLO-UGKGYDQZSA-N 450.292 5.332 5 1 JKBF O=[N+]([O-])c1ccc(CNCCCCCCNCc2ccc([N+](=O)[O-])c3ccccc23)c2ccccc12 45193211 GPZACDWYEZCYEE-UHFFFAOYSA-N 486.572 6.249 5 1 JKBF O=C(O[C@H]1C[N+]2(CCCc3ccncc3)CCC1CC2)C1(c2cccs2)CCCCCC1 103288754 HNKRLZPRTHVMQJ-IDPZRHLESA-N 453.672 5.520 5 1 JKBF CCCCn1c(=O)c2ccc(Cl)cc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21 169337115 KBOKCQLFWLAHHN-UHFFFAOYSA-N 451.794 5.920 5 1 JKBF CCCCc1cc(=O)oc2cc(OCc3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)ccc12 586918926 TXLVMLNOBRTDLY-UHFFFAOYSA-N 472.295 5.262 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(OCc5ccccc5)cccc4[nH]3)cc2)nc1C(F)(F)F 587119467 WNAHUELPCBQBSE-UHFFFAOYSA-N 493.445 5.981 5 1 JKBF CCNC(=O)c1ccc(-c2ccc(Cc3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)cc1F 587147298 KNZWKQFVUGDYLQ-UHFFFAOYSA-N 473.551 7.016 5 1 JKBF O=C(O)c1cc2[nH]c(CCc3ccccc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587150425 PLRBQZFJJJEXGU-UHFFFAOYSA-N 494.478 5.769 5 1 JKBF O=C(c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1)c1coc2cc([N+](=O)[O-])ccc12 587280136 KQOPXMGCIVYYAW-UHFFFAOYSA-N 486.793 5.954 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)O2 587382810 SFZUFHXECDCRAF-OAQYLSRUSA-N 458.392 6.003 5 1 JKBF O=C(Oc1ccc2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1cccc([N+](=O)[O-])c1 587513936 VOVIFRANFJMIGL-HHHXNRCGSA-N 493.515 6.553 5 1 JKBF Cc1c(OC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c1oc(=O)c1ccccc12 587531192 JHACAWGNCYJILT-LJAQVGFWSA-N 454.522 5.936 5 1 JKBF COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cccc([N+](=O)[O-])c1 587627546 BPNQRYGPBQTFEI-UHFFFAOYSA-N 460.286 5.131 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2[N+](=O)[O-])N1 587677142 GVZYTGJJXQXEQX-VVVCHXIZSA-N 458.125 5.057 5 1 JKBF CC(C)c1ccc([C@H](c2ccc([N+](C)(C)C)cc2)c2ccc(C(C)C)cc(=O)c2O)c(=O)c(O)c1 28225313 DBMRFPSUCKRTQQ-UHFFFAOYSA-O 474.621 5.442 5 1 JKBF CC(=O)N(Cc1c2ccccc2cc2ccccc12)[C@@H](Cc1c[nH]c2ccccc12)C(C)(C)O 71329995 MPONOYWTXIQNJO-LJAQVGFWSA-N 450.582 6.205 5 1 JKBF O=[N+]([O-])c1cccc(-c2nc(NC3CCCCC3)ncc2-c2ncc(-c3ccccc3)s2)c1 82163471 CHSLYADQBZQDBX-UHFFFAOYSA-N 457.559 6.587 5 1 JKBF O=C(O[C@H]1C[N+]2(Cc3cc(-c4ccccc4)on3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1 103278240 BVVYJGOLLPPZJT-JUEZVXFGSA-N 473.637 6.221 5 1 JKBF CS(=O)(=O)c1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc([N+](=O)[O-])c1Cl 586925081 FFYMSCBYBWJTFL-UHFFFAOYSA-N 451.891 5.501 5 1 JKBF CC(C)Cn1c(SCc2nc3cc([N+](=O)[O-])cnc3[nH]2)nnc1-c1ccc(Cl)cc1Cl 586965659 UKYSTXUECNNFGU-UHFFFAOYSA-N 478.365 5.380 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 587093944 VLYLUYXKXKIRGX-UHFFFAOYSA-N 454.124 5.938 5 1 JKBF Cc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 587575293 ISWAQZACCIVJJD-SHQCIBLASA-N 469.449 6.104 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)N1 587703717 ZIKDFFYWCHUHGP-IPQOISQHSA-N 491.744 6.566 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)Nc2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 587746336 JNPPOODCAXFUGL-OYLFLEFRSA-N 498.352 5.303 5 1 JKBF Cc1c(OC[C@@]2(C)c3ccsc3CCN2Cc2cccnc2)ccc2c1oc(=O)c1ccccc12 962998687 PDFJWIDDVRKRGJ-LJAQVGFWSA-N 482.605 6.064 5 1 JKBF CCCN1[C@H](C)Cc2ccccc2[C@]12c1ccccc1-c1ccc3sc4ccccc4c4ccc2c1c34 963259680 SMEANPRZGAQRQA-VXJJZJMSSA-N 495.691 9.137 5 1 JKBF CC(C)(C)NC(=O)c1ccc([C@H]2CC(=O)N(Cc3ccccc3[N+](=O)[O-])c3ccccc3S2)cc1 1857654981 MRELJOQFIQNSHE-XMMPIXPASA-N 489.597 5.893 5 1 JKBF COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4[N+](=O)[O-])cc3)c(=O)oc2cc1OC 28710685 YNJVJLWDZRPHHU-UHFFFAOYSA-N 460.486 5.017 5 1 JKBF COc1cc2c(c3c1c(=O)c1cc4cc(Br)ccc4cc1n3C)C=CC(C)(C)O2 71341534 JJSBOVCTMPUELM-UHFFFAOYSA-N 450.332 5.800 5 1 JKBF CCCCc1cc(=O)oc2cc(OCc3nc4c5cccnc5c5ncccc5c4[nH]3)ccc12 586918002 GRPPUCRLBNCIGY-UHFFFAOYSA-N 450.498 5.687 5 1 JKBF Clc1ccccc1OCCn1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc2ccccc21 587064456 STYVTUYNWGISHP-UHFFFAOYSA-N 489.966 7.013 5 1 JKBF Clc1cc(I)cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587182959 RHPVYJCBLYCJRY-UHFFFAOYSA-N 456.674 5.584 5 1 JKBF O=C(Nc1ccc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 587244540 OURDCPCTQFMDBA-UHFFFAOYSA-N 490.519 6.423 5 1 JKBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587266799 OZNHAWIZOCUEJG-LAJNKCICSA-N 490.501 5.190 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Sc3ccccn3)c([N+](=O)[O-])c1)(c1ccccn1)O2 587409163 GZGDQWZPXMDXRP-AREMUKBSSA-N 484.537 5.336 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3cccc(C(=O)OC)c3)c([N+](=O)[O-])c1)CC2=O 587473368 SSTJGTYSBLDWDM-XMMPIXPASA-N 477.469 5.538 5 1 JKBF Cc1ccccc1-n1c(C)nc2c(-c3ccc(Br)cc3)nc3ccccc3c2c1=O 28646070 FNMYQGHVAYNXMC-UHFFFAOYSA-N 456.343 5.980 5 1 JKBF O=C(NCc1ccccc1Cl)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135632 MSAYZJOHEARGPF-UHFFFAOYSA-N 479.968 5.627 5 1 JKBF Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163572 LLTPTURBIACSGE-UHFFFAOYSA-N 457.534 6.233 5 1 JKBF CCOc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nc3c4ccccc4nc-3c2O)cc1 100705398 PKGUWBRZKDPEBO-UHFFFAOYSA-N 472.526 5.830 5 1 JKBF Cc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)cc1 104033869 KMMQVDYUERHVRQ-CRYYWNKWSA-N 469.497 6.261 5 1 JKBF COc1cc2cc(C(=O)[C@H]3CCC[N@+](C)(Cc4ccc([N+](=O)[O-])o4)CC3)sc2cc1OC 253778889 KFZOWBNTEIELDM-MQNRADLISA-N 459.544 5.049 5 1 JKBF O=C(Nc1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1)c1ccc(Br)cc1 586983891 LAFMJRDBRABDPQ-UHFFFAOYSA-N 471.698 5.806 5 1 JKBF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c5cccnc5c5ncccc5c4[nH]3)c(Cl)cc12 587078282 NLOIQBSPSWZHOL-AWEZNQCLSA-N 484.943 6.512 5 1 JKBF O=C(c1cccc(COc2ccc([N+](=O)[O-])cc2)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661604 SAQUYBHZTWGNAC-UHFFFAOYSA-N 495.466 5.378 5 1 JKBF COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cncc([N+](=O)[O-])c4[nH]3)CCCC(C)(C)[C@@H]1CC2 587932947 SGFVFNBMFKIKQI-AFMDSPMNSA-N 464.566 5.762 5 1 JKBF COc1ccc(NC(=O)Nc2ccc(N=c3c4ccccc4[nH]c4cc([N+](=O)[O-])ccc34)cc2)cc1 653774529 LBAKUEWHXVYYSG-UHFFFAOYSA-N 479.496 6.114 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc([C@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN43)co2)cc1 962643977 QSJTYTWLZOVTTF-ZEQKJWHPSA-N 452.514 5.086 5 1 JKBF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)N1 963187637 SHHYSHQLBWSPOD-LAUBAEHRSA-N 479.842 5.001 5 1 JKBF CC1=C[C@H](CN(C)Cc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2356834969 AJOTUSLDCBFHSQ-ARNLJNQMSA-N 475.593 5.569 5 1 JKBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 4295457 FHYBJRAFQCRGEB-VABKMULXSA-N 473.957 5.112 5 1 JKBF CC(C)c1ccc2nc(/C=C/c3cccc([N+](=O)[O-])c3)n(-c3ccc(C(=O)O)cc3)c(=O)c2c1 58568383 RSEIKVGGJZGPNC-AWNIVKPZSA-N 455.470 5.286 5 1 JKBF CC(C)CCOC(=O)c1nc(Nc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)c2ccccc2n1 299829133 TVPYDZJOSNKBHF-UHFFFAOYSA-N 472.501 6.277 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586969218 OTWXNRFHCPDOQB-UHFFFAOYSA-N 474.302 6.668 5 1 JKBF COC(=O)C1=C(C)NC(C)=C(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@H]1c1cccc(Cl)c1Cl 587055142 KEGYEJCPIWEVPH-LJQANCHMSA-N 491.306 5.482 5 1 JKBF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc([N+](=O)[O-])c(Br)cc2C3)c1 587357405 IBLAFBBAVURWDO-UHFFFAOYSA-N 487.309 6.899 5 1 JKBF C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587532504 OHRFDTACDCQVDE-ADKRDUOOSA-N 454.522 6.016 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 587541214 DVXBCDRHTJGJSW-ZEQKJWHPSA-N 473.868 5.859 5 1 JKBF C[C@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617835 LBTDEMWZFVLSKE-WMZHIEFXSA-N 480.523 5.423 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)N1 587747722 PVBJREOCNURIFF-LFVRLGFBSA-N 470.342 5.888 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@H]3c3ccco3)c2c1 1857646337 XYXNFGORFILAEA-DEOSSOPVSA-N 467.978 5.141 5 1 JKBF COc1cccc(CNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)c1OC 775800 ILRYRVOXXUCTTL-UHFFFAOYSA-N 473.913 5.148 5 1 JKBF CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 13560031 KABAOQTUOKQXLD-UHFFFAOYSA-N 491.353 5.237 5 1 JKBF C[N+]1(CCO[P@](=O)(O)OCCCCCCCCCCC=C2CCCCC2)CCOCC1 27874128 WSQMQPAOKWEXFZ-UHFFFAOYSA-O 460.616 5.998 5 1 JKBF C[C@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C 82148577 QDNSTRBQILXZAD-DQHAIFDPSA-N 491.636 5.939 5 1 JKBF CC1(C)C=Cc2c(c3ccccc3c3oc4c(c(=O)c23)[C@H]2OC(C)(C)C(=O)O[C@@H]2c2ccccc2-4)O1 238756820 YUVPEGVEHZJQDJ-KAYWLYCHSA-N 480.516 6.245 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c3ccccc3c3ccccc3c2[nH]1 587262741 HTEWFIHNGYQAAP-OAHLLOKOSA-N 455.470 6.129 5 1 JKBF COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)c4coc5cc([N+](=O)[O-])ccc45)cc3n2)cc1 587280240 PJHFDFUAGQRFNX-UHFFFAOYSA-N 482.374 5.309 5 1 JKBF CCc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587575349 JKSJDVZUZMPNJO-OZXSUGGESA-N 457.438 5.361 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2)N1 587701433 UGGSKNRSJDFQSX-YTEVENLXSA-N 491.744 6.566 5 1 JKBF O=[N+]([O-])c1ccc2c(c1)C1(c3cc([N+](=O)[O-])ccc3-2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962714896 RRXYWPFGQHRIAB-QGZVFWFLSA-N 477.517 5.278 5 1 JKBF Cc1nc2c(-c3ccc(Cl)cc3)nc3ccccc3c2c(=O)n1-c1ccccc1Br 28646035 LHFCRZKFFDOROM-UHFFFAOYSA-N 476.761 6.325 5 1 JKBF C[C@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82219935 PAYVTQXPRWVKBH-JTSKRJEESA-N 471.586 6.833 5 1 JKBF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cs1 587019032 FNINDGIFMDRAGW-UHFFFAOYSA-N 451.515 5.351 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3cccc(I)c3)[nH]c12 587183701 HCERQTHEQDOFMD-DAXSKMNVSA-N 470.064 5.009 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 587737512 XYTQIYXJMLXWTQ-AMXDTQDGSA-N 493.735 6.115 5 1 JKBF Cc1cc(OCc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1[N+](=O)[O-] 587748204 SQGCAQGFGDWMBV-WHEQGISXSA-N 475.314 5.600 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)N1 587842017 CRAKPRBPGSIPHR-XMHCIUCPSA-N 479.415 6.545 5 1 JKBF COc1ccc2c(c[n+]3c4c2cc(Cc2cccc(C)c2)c2c5c(cc(c24)CC3)OCO5)c1OC 1857537096 JNWUSLMDJHGGIN-UHFFFAOYSA-N 464.541 5.635 5 1 JKBF CCC1=C(C)c2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6CC5)C(CC)=C4C)c(C)c3CC 13437202 OSGJOZKEHQLENL-UHFFFAOYSA-N 476.668 8.274 5 1 JKBF Cc1oc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163476 GNLCEEKJGKYMRB-UZUQRXQVSA-N 469.545 6.673 5 1 JKBF COc1ccccc1C(=O)Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)s1 299827846 IKMGUFBLMPRXEX-UHFFFAOYSA-N 493.457 5.075 5 1 JKBF Cc1cc2[nH]c(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)nc2cc1[N+](=O)[O-] 586964917 BLAWYMZHYIUDPK-UHFFFAOYSA-N 480.937 5.625 5 1 JKBF O=[N+]([O-])c1cncc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c12 586971054 RYQQYJATOYSLKO-UHFFFAOYSA-N 466.566 6.134 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(/C(=C/c3ccccc3[N+](=O)[O-])N3CCC2CC3)[C@@H]1c1ccc(F)cc1 587340152 VCRAHSMABPVTNR-XIYBMZERSA-N 486.499 5.304 5 1 JKBF S=C(Nc1ccccc1)Nc1ccc(N=c2c3ccccc3[nH]c3ccc(Cl)cc23)cc1 653762722 ARTCIEMZDLOYBF-UHFFFAOYSA-N 454.986 7.016 5 1 JKBF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@]3(CCCC[C@@H]3c3ccc([N+](=O)[O-])c(Cl)c3)N12 962657965 DPTZEJNYLBUQQU-JSRBVGTNSA-N 479.964 5.448 5 1 JKBF CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 13726518 GXKOKBLWYHLOTL-UHFFFAOYSA-N 471.539 5.247 5 1 JKBF N=c1sc(-c2cc([N+](=O)[O-])ccc2F)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl 29416544 WZGXDUPMBHZLQB-UHFFFAOYSA-N 453.204 5.453 5 1 JKBF C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C 82147853 QNJMGVKWHUUZMU-LFUSFCIXSA-N 491.636 5.845 5 1 JKBF Oc1ccc(-c2c(O)c3cc(O)cc4oc(-c5ccc(O)cc5)c(c5cc(O)cc(O)c25)c43)cc1 169720718 VTJZZEZVHDZSLX-UHFFFAOYSA-N 466.445 6.307 5 1 JKBF CCCc1c(O)ccc2c1O[C@](c1ccc([N+](=O)[O-])cc1)(c1ccc(Cl)c(Cl)c1)CC2=O 587462902 SHVXLCOGXVHQOF-XMMPIXPASA-N 472.324 6.469 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 587753666 WDWNUFXLSBHXSJ-QKFKETGDSA-N 471.326 6.086 5 1 JKBF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3ccc(SC4CCCCC4)c([N+](=O)[O-])c3)N12 962669866 QNDVQVVILOGEAC-IGKIAQTJSA-N 491.613 5.756 5 1 JKBF CCOP(=O)(OCC)[C@@H](NCC[N+](C)(C)CC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1857565602 PJZIBTYTMLJSON-HSZRJFAPSA-O 471.643 5.938 5 1 JKBF C[C@](O)(COc1ccc(-c2ccc3[nH]ccc3c2)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 14968625 HMBGTCALTPPWDR-DEOSSOPVSA-N 499.445 5.530 5 1 JKBF COc1cc(OC)cc(-c2nn(-c3ccc([N+](=O)[O-])cc3Cl)c(=S)n2Cc2ccco2)c1 45339089 XSMOGKLBHUYLBN-UHFFFAOYSA-N 472.910 5.290 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(C(=O)c3c4ccccc4cc4cccc2c34)[C@H]1c1ccc(F)cc1 587350379 HRVDICWMFFYKPM-FIBWVYCGSA-N 460.460 6.288 5 1 JKBF CCc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587575348 JKSJDVZUZMPNJO-JYFHCDHNSA-N 457.438 5.361 5 1 JKBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])c(C)c2)cc1 587872324 USIDADZEHZROBR-UHFFFAOYSA-N 475.476 5.572 5 1 JKBF O=C(O[C@@H]1C[N+]2(CCCCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857539075 VLRJRPJTORUGQW-TXIALNMSSA-N 484.660 5.488 5 1 JKBF O=C(c1ccccc1)N(C(=O)c1ccccc1)c1c2ccccc2c(=O)n2c1[nH]c1ccccc12 1857652109 IIUYEHUALWKYCJ-UHFFFAOYSA-N 457.489 5.421 5 1 JKBF Cc1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82174816 ZNRSDIYLPFHGEM-UHFFFAOYSA-N 453.527 6.249 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)cc(Cl)c2c2cc(SC)ccc12 169338569 QWMCLQKIFXXIDH-XMMPIXPASA-N 464.502 7.957 5 1 JKBF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3c4cccnc4c4ncccc4c3[nH]1)C(=O)OC2 586915728 QSEFEFZWDMMYFI-OVCLIPMQSA-N 494.551 5.474 5 1 JKBF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(F)c1 587143806 APBDCIQFWHTQRR-UHFFFAOYSA-N 470.254 5.713 5 1 JKBF CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587198306 XSNZAEJYTZYVDX-UHFFFAOYSA-N 490.519 6.523 5 1 JKBF CCCCCOc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1Br 587267857 SLDSMTFWSRGTIG-UHFFFAOYSA-N 450.337 5.171 5 1 JKBF O=C1C[C@H](c2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587510643 BVRINIRNVYLSNQ-MUUNZHRXSA-N 483.568 5.507 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C)Oc2ccc3c(c2)oc(=O)c2ccccc23)N1 587839649 GBLPVKXOMRPFBW-OXWSONJVSA-N 496.376 6.065 5 1 JKBF COC(=O)c1ccc2nc3n(C)c4ccccc4c(NCCCNC(=O)Nc4ccccc4)c-3c2c1 103146999 UHPZIFBZVOCSKA-UHFFFAOYSA-N 481.556 5.242 5 1 JKBF Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)nc2cccc3c2c1-c1ccccc1C3=O 587102822 ZCBGYJMDOKFWMP-UHFFFAOYSA-N 461.271 5.798 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(OC(=O)c3cccc([N+](=O)[O-])c3)ccc3ccccc13)O2 587390570 RPKOXIUNEAYUSZ-DEOSSOPVSA-N 468.465 5.564 5 1 JKBF O=C1C[C@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)Oc2c1ccc1c2CCCC1 587503503 VAULSNMMRKOJSD-HSZRJFAPSA-N 453.878 6.006 5 1 JKBF CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc([N+](=O)[O-])ccc21 587511508 HCILBLQHTLDWAQ-HSZRJFAPSA-N 462.502 5.918 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1SCc1ccco1 587615526 XXAPBTPSBQBALD-RDGATRHJSA-N 475.478 5.889 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 587697662 OQWWYYIWAMXALE-VERVWZFWSA-N 491.744 6.566 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(=O)O)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587745863 IKAXOCMLEHENAM-ZLOXQWCVSA-N 485.309 5.021 5 1 JKBF O=C1CCC[C@]2(c3ccc(F)cc3C[C@@H]3CCCN32)[C@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 963098468 GZMISUPMNMDFTJ-YJGRUCBDSA-N 490.453 5.221 5 1 JKBF C[C@@]1(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2S1 1772570855 MFDANUGWANIOOJ-IBGZPJMESA-N 451.426 5.300 5 1 JKBF Cc1ccc(-c2c(Br)c(=O)c3cc([N+](=O)[O-])ccc3n2[C@@H](C)c2ccccc2)cc1 1772657506 PSVUMGIEAAGKDB-INIZCTEOSA-N 463.331 6.257 5 1 JKBF O=C(NCc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2481948 OWOXUYBCSAMJLU-UHFFFAOYSA-N 468.296 6.154 5 1 JKBF OCCNCC/N=c1\cc2n(-c3ccccc3)c3ccc(Cl)cc3nc-2cc1Nc1ccccc1 27644112 SHHONFRWUKODNH-UQRQXUALSA-N 484.003 5.010 5 1 JKBF COc1cccc(COCC[N+]23CCC(C(O)(c4ccccc4)c4ccccc4)(CC2)CC3)c1 35975434 ZPFVSBKXZANBQG-UHFFFAOYSA-N 458.622 5.149 5 1 JKBF CC(C)=CCC/C(C)=C\Cc1c(O)cc2oc3cc(O)c4c(c3c(=O)c2c1O)C=CC(C)(C)O4 95485928 VXBRNANXWNQRCY-SXGWCWSVSA-N 462.542 6.482 5 1 JKBF biogenic,in-vitro CO[C@H]1Cc2c(csc2-c2ccc([N+](=O)[O-])cc2)C2(CCN(Cc3ccccc3)CC2)O1 95555238 SGUYVGWELHDJDJ-HSZRJFAPSA-N 450.560 5.360 5 1 JKBF COCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC/C=C/c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 101069663 MRXCMKALHQCKRW-OLTDXVHMSA-N 492.528 5.116 5 1 JKBF COc1cc2cc(C(=O)C[C@@H]3CC[C@@H](O)C[N@+](C)(Cc4ccccc4)CC3)sc2cc1OC 253837975 ZFPAYSSATREUMU-VVDSWQSDSA-N 468.639 5.299 5 1 JKBF O=C(Nc1cccc([N+](=O)[O-])c1)Nc1nc(-c2cc3cc(Br)ccc3o2)cs1 473086154 HBTATKCIHZPCES-UHFFFAOYSA-N 459.281 5.871 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267647 OJYGCVJVZDWRNM-UHFFFAOYSA-N 465.819 5.552 5 1 JKBF COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513939 VQPZOIKYXWSCBS-SANMLTNESA-N 458.514 5.801 5 1 JKBF CCC[C@H](CC1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781257 HGBHIHKKIXWYBV-JOCHJYFZSA-N 492.623 7.021 5 1 JKBF C[C@](O)(CSc1ccc(Cl)c(Cl)c1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 34801497 YECZKKACMOWMFM-KRWDZBQOSA-N 465.280 6.402 5 1 JKBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 49087561 CTZLYJWPYGMMPN-HHHXNRCGSA-N 498.535 5.413 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1ccc([N+](=O)[O-])cc1)O2 587371262 JUWIZVHMZZATIS-QFIPXVFZSA-N 453.292 5.157 5 1 JKBF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc([N+](=O)[O-])cc1Cl 587377796 ZHMFCNWQZLQCNE-HSZRJFAPSA-N 468.893 5.433 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 587543996 CWXFXRAARKWZNY-XUZZJYLKSA-N 463.829 5.917 5 1 JKBF CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587726053 HOHJUMZEYVKPIF-JCQPUDPBSA-N 488.332 5.503 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 587748239 SVDBTRILGWWHJA-PTPDTQQLSA-N 478.318 5.492 5 1 JKBF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 962921000 AAIPMUSWWDELLR-SVBPBHIXSA-N 498.491 5.573 5 1 JKBF C[N+](C)(C)c1ccc(C(=O)OCCCCn2ccc3cc(OCc4ccccc4)ccc32)cc1 26993648 TWPBYRSIDSNBHG-UHFFFAOYSA-N 457.594 6.054 5 1 JKBF Cc1oc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163671 UAJKVOFZWNYPLH-HDICACEKSA-N 469.545 6.165 5 1 JKBF O=C(C1CCCCC1)n1nc(-c2ccccc2)c2c1CCN(C(=S)Nc1ccc([N+](=O)[O-])cc1)C2 96932253 MOFTUINLONUAOC-UHFFFAOYSA-N 489.601 5.434 5 1 JKBF O=[N+]([O-])c1ccc([C@H]2N=C(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)S2)cc1 98082621 OZZHYVFHFWUAFW-UNMCSNQZSA-N 450.470 5.826 5 1 JKBF O=C(Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 299855411 DYPOMSOXCXSMLD-UHFFFAOYSA-N 465.676 6.027 5 1 JKBF Fc1ccc(O[C@H](c2ccccc2)c2nc3c4ccccc4c4ccccc4c3[nH]2)c(Cl)c1 587159889 XIWCOQRZRYLELM-HHHXNRCGSA-N 452.916 7.830 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccc3c(c1)oc(=O)c1ccccc13)CC2=O 587491793 PSEZUVSEILVOJV-WVDZOPJMSA-N 458.510 5.796 5 1 JKBF COC(=O)c1cccc(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])c1 587508907 GILMCUZJMUOBBQ-RUZDIDTESA-N 473.481 5.759 5 1 JKBF COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1[N+](=O)[O-] 587512318 WSTQUGJQYQNRHH-RUZDIDTESA-N 457.482 5.634 5 1 JKBF COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587577071 QXCCYFXMYNLRDG-LEAFIULHSA-N 483.476 5.409 5 1 JKBF CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1Oc1ccc([N+](=O)[O-])cc1Cl 587622177 ZTZXGLIAMQCQNB-UHFFFAOYSA-N 463.719 6.458 5 1 JKBF COc1ccc2c(c1OC)[C@H](c1ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c1)N(C)[C@@H](C)C2 962643684 XRYNNEWRMVACBZ-OWJWWREXSA-N 468.550 5.868 5 1 JKBF COc1ccc2c(c1OC)[C@@H](c1ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c1)N(C)[C@H](C)C2 962643687 XRYNNEWRMVACBZ-OYLFLEFRSA-N 468.550 5.868 5 1 JKBF COc1cc2c3c(c4ccc(OCc5ccccc5)cc4c2cc1OC)CN1CCCC[C@@H]1[C@@H]3O 1772633137 FCCVUYVUMQFYQT-VIZCGCQYSA-N 469.581 5.991 5 1 JKBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 45202335 HFDAUVJUEUJEDV-NTEUORMPSA-N 486.616 5.644 5 1 JKBF COc1cc2cc(C(=O)[C@@H]3CCC[N@@+](C)(Cc4ccc([N+](=O)[O-])o4)CC3)sc2cc1OC 253778903 KFZOWBNTEIELDM-SGANQWHYSA-N 459.544 5.049 5 1 JKBF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 586945328 GRROKRBPIPOXEL-UHFFFAOYSA-N 475.620 6.138 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587157762 CJGAICVZZATETI-LJQANCHMSA-N 476.689 6.195 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(C)c1[N+](=O)[O-] 587265079 LZDINUMZGHEAPS-UHFFFAOYSA-N 466.370 5.049 5 1 JKBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587949375 UIKJKRDKFWJZGL-ZCCHDVMBSA-N 455.942 6.409 5 1 JKBF COc1ccc(Cn2c(-c3ccc(C)cc3)c(C(F)(F)F)c(=O)c3cc([N+](=O)[O-])ccc32)cc1 1772570865 MVNAIETUKOEUSJ-UHFFFAOYSA-N 468.431 5.961 5 1 JKBF CC(C)CNC(=O)c1c(-c2ccc(COC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)oc2ccccc12 1772629268 UFLAYAKBWJUZLN-UHFFFAOYSA-N 486.524 5.680 5 1 JKBF Cn1c2c3ccccc3nc-2c(N2C3=CCC=C[C@H]3c3nc4ccccc4cc32)c2ccccc21 2356737608 HYJDHWJYPDIKFT-OAQYLSRUSA-N 450.545 7.459 5 1 JKBF CC1=C[C@H](CNCc2cccnc2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2356862691 FPSYWESTPCXAEH-WMTXJRDZSA-N 461.566 5.227 5 1 JKBF CCc1cnc(-c2cnc(NCCc3cc(OC)cc(OC)c3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163741 ADJGDBLJBMTPLD-UHFFFAOYSA-N 491.573 5.410 5 1 JKBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 105176902 VBOKWFGISNRBSQ-IIIFJCIWSA-N 491.636 5.653 5 1 JKBF O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cc3cc(Br)ccc3o2)cs1 473090483 VZKCDWBLPVFWQC-UHFFFAOYSA-N 459.281 5.871 5 1 JKBF Cc1ccc(-c2cc(-c3cc4c(ccc5ccccc54)oc3=O)nc(Cc3ccc(F)cc3)n2)cc1 473135954 LQUBDKSDGBCRIR-UHFFFAOYSA-N 472.519 7.109 5 1 JKBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3ccccc3c3ccccc3c2[nH]1 587266119 IXUWJHQUMZTREQ-LRTDBIEQSA-N 457.446 5.220 5 1 JKBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587422600 PFWSHLMPFOEOOA-FDDCHVKYSA-N 471.387 5.903 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc([N+](=O)[O-])c2)N1 587675878 BCEQFFQTCAEJQU-HUTHGQBESA-N 458.125 5.057 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1 587719118 KGMOYNYTCKTLRV-YPMLDQLKSA-N 477.252 5.387 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)cc2[N+](=O)[O-])N1 587749533 ZCBQWQIDFBWMAF-AMXDTQDGSA-N 485.309 5.485 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3ccc4cccc5ccc2c3c45)N1 587814298 GUAMPDPKDHJJFO-KUNJGFBQSA-N 458.374 7.283 5 1 JKBF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)c1ccccn1 963243417 SHYNHRXVKJNXOX-LGGPFLRQSA-N 496.636 6.485 5 1 JKBF O=[N+]([O-])c1cccc([C@H]2C=C(n3cc(-c4ccccc4)nc3-c3ccccc3)NC(=S)N2)c1 1772630269 KWEQLKQQXYSDAS-OAQYLSRUSA-N 453.527 5.143 5 1 JKBF C[C@](O)(CSc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857611568 XFYFRQRHPMHWLE-INIZCTEOSA-N 468.375 5.114 5 1 JKBF O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1 13580652 QTYNBBFOPMKRDO-UHFFFAOYSA-N 490.346 5.055 5 1 JKBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCCCC[N+](C)(C)C)[C@H]1c1ccccc1C(F)(F)F 27206055 JCYWSLRBVSKYOR-QHCPKHFHSA-O 497.578 5.763 5 1 JKBF CN(C)CCCN(C(=O)c1ccc2c(c1)sc1c(=O)[nH]c3ccccc3c12)c1ccccc1 27519057 AUIFTKWSIVJRRJ-UHFFFAOYSA-N 455.583 5.495 5 1 JKBF COc1ccc(-c2[nH]c3ccccc3c2CCNCCCCc2ccc([N+](=O)[O-])cc2)cc1OC 27560800 QWOFDDHPOIQQNQ-UHFFFAOYSA-N 473.573 5.915 5 1 JKBF COc1ccc(C(=O)Nc2ccc3cc4ccc(NC(=O)c5ccc(OC)cc5)cc4nc3c2)cc1 28712667 OBYHGUKSPAVBEC-UHFFFAOYSA-N 477.520 5.910 5 1 JKBF Cc1ccc(-c2cc(-c3ccccc3)nc3ncn4c(=O)c5cc(Br)ccc5nc4c23)cc1 45375027 DDQHKDRHCJNRID-UHFFFAOYSA-N 493.364 6.196 5 1 JKBF COc1ccc2[nH]cc(C(c3c4ccccc4cc4ccccc34)c3c[nH]c4ccc(OC)cc34)c2c1 96910251 DZCWVDBJGSRXLW-UHFFFAOYSA-N 482.583 8.153 5 1 JKBF CCC1=C(C)c2cc3[nH]c4c(cc/c(=N\O)c4c4nc(cc5[nH]c(cc1n2)c(C)c5CC)C(C)=C4)c3C 238755483 SMILEURMRDYEDM-CTWLCIOBSA-N 489.623 7.276 5 1 JKBF O=C1C[C@@H](Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c2c(Br)cccc2O1 587004238 RZPNIPADVROEBF-GFCCVEGCSA-N 459.303 5.057 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc([N+](=O)[O-])c1 587135482 CUFGLSMOVYCGLP-UHFFFAOYSA-N 465.790 6.805 5 1 JKBF O=C(NC1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 587238372 CSGIDRIXLYNBIM-UHFFFAOYSA-N 484.512 5.016 5 1 JKBF C=C(c1ccc(OC)c(/C=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)c1)c1cc(OC)c(OC)c(OC)c1 653725065 YHUKEXRTRJHFGK-SRZZPIQSSA-N 488.496 5.183 5 1 JKBF O=C1c2cc(Cl)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(Br)cc1F 653833271 WDHSNISZDPAATG-UHFFFAOYSA-N 463.646 6.234 5 1 JKBF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 963643487 ZVSJAMOGAHZTRB-LFPIHBKWSA-N 493.610 5.997 5 1 JKBF O=[N+]([O-])c1cccc([C@@H]2C=C(n3cc(-c4ccccc4)nc3-c3ccccc3)NC(=S)N2)c1 1772630267 KWEQLKQQXYSDAS-NRFANRHFSA-N 453.527 5.143 5 1 JKBF COc1ccc(Nc2ncnc3c2[C@@H](c2cccc([N+](=O)[O-])c2)c2c(ccc4ccccc24)O3)cc1 1772657736 DYZWPHKIZCOBQT-DEOSSOPVSA-N 476.492 6.576 5 1 JKBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(-c3ccc(Cl)cc3)cc(Cl)cn12 1857774029 QIIGIXTYMFOWON-UHFFFAOYSA-N 462.314 5.190 5 1 JKBF O=[N+]([O-])c1ccc(CSc2nc(O)c3c(n2)N=C2CCCC(O)=C2[C@H]3c2ccc(O)cc2)cc1 17155942 POQMUDQDRRUEBB-LJQANCHMSA-N 476.514 5.302 5 1 JKBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 72105949 RGEWUMWJBBATJD-IZZDOVSWSA-N 490.317 5.696 5 1 JKBF CC[C@H](C)NC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc([N+](=O)[O-])cc1 82160146 PYHIPXZMNURBRT-AWEZNQCLSA-N 473.455 5.211 5 1 JKBF CCc1cnc(-c2cnc(NCCc3ccc(OC)cc3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163940 UJCLKQQRKKGFTF-UHFFFAOYSA-N 461.547 5.401 5 1 JKBF CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc([N+](=O)[O-])cc2)cc1 101017185 QVBAYKRYPXSOOL-CLJLJLNGSA-N 471.557 5.566 5 1 JKBF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(C2CC2)n1 587230378 UDZNFVGTJSYECO-UHFFFAOYSA-N 488.342 5.198 5 1 JKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)c1 587269773 GOGOUYCZCSDGKR-UHFFFAOYSA-N 479.212 5.861 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 587579080 YGJSVJPPWBRKCC-GGXMVOPNSA-N 481.504 6.180 5 1 JKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3)c(CCN3CC=C(n4c(O)nc5ccccc54)CC3)c12 587645840 LWQFFRJOUHYYEH-UHFFFAOYSA-N 497.530 5.727 5 1 JKBF O=[N+]([O-])c1ccc(C[C@@]2(c3ccc4ccccc4c3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963096755 GLMFGFNCOHJVER-LMSSTIIKSA-N 452.529 6.394 5 1 JKBF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O[C@H](C)c1ccc([N+](=O)[O-])cc1 1772637037 RFMSBOFVSSRVTM-OAHLLOKOSA-N 467.474 5.000 5 1 JKBF O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 774600 YFTAOTUJDUYVNZ-AEFFLSMTSA-N 476.316 5.257 5 1 JKBF CC(C)CCNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774880 KBZLNFFXNQUNPJ-UHFFFAOYSA-N 457.870 5.075 5 1 JKBF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149687 KAGAKKGGUDKPNY-QZTJIDSGSA-N 451.571 5.162 5 1 JKBF COc1cc2c(=O)c3c(O)c(CCC=C(C)C)c4c(c3oc2c(O)c1OC)C=CC(C)(C)O4 95485973 LOOFUGRWGAKWBH-UHFFFAOYSA-N 452.503 5.458 5 1 JKBF biogenic,in-vitro COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 103210591 GBSRALRNVGTJCR-QGZVFWFLSA-N 464.194 5.008 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1Sc1nc2ccccc2s1 587036981 CBQPROMYXMVRQE-UHFFFAOYSA-N 472.473 6.918 5 1 JKBF Clc1ccccc1-c1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c2ccccc2n1 587060132 AVTQXQCUGIBMTN-UHFFFAOYSA-N 455.948 8.405 5 1 JKBF COc1cccc(-c2cc(-c3ccc(-c4ccccc4[N+](=O)[O-])s3)nc3c2oc2ccccc23)c1 587365802 NLFQTYZDSZKHOL-UHFFFAOYSA-N 478.529 7.960 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3ccc(C)c([N+](=O)[O-])c3)c(Cl)c1)O2 587376276 RHUCUIIKIQGBBG-VWLOTQADSA-N 466.921 5.907 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])N1 587749447 YCBPEUYFYVEZET-YTEVENLXSA-N 485.309 5.485 5 1 JKBF COc1ccc2c(c1OC)[C@H](c1ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c1)N(C)[C@H](C)C2 962643681 XRYNNEWRMVACBZ-MYYSRTQBSA-N 468.550 5.868 5 1 JKBF C[n+]1cc(-c2c3ccccc3c(-c3cc4ccccc4[n+](C)c3)c3ccccc23)cc2ccccc21 1911586281 MFRFTJIRIJNWNV-UHFFFAOYSA-N 462.596 7.282 5 1 JKBF CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2c(Cl)cc(Cl)cn12 45484100 OBTFDJHQRGAUKQ-UHFFFAOYSA-N 483.783 6.061 5 1 JKBF COc1ccc2cc([C@H](C)C(=O)OCCn3c4ccccc4c(=O)c4ccccc43)ccc2c1 95595514 JFMUHNFTFBLUNK-IBGZPJMESA-N 451.522 5.663 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)[C@@H]1c1ccc(F)cc1 587340882 IGZVEEGNQTWATI-AOYPEHQESA-N 458.445 5.585 5 1 JKBF COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587417159 JLTNJPWBHNCZJR-CVDCTZTESA-N 466.287 5.057 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc(C(C)(C)C)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434622 XBPIWWYXQQSWTC-FNZWTVRRSA-N 459.498 6.182 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1SCc1ccccc1 587612922 LMWDVWLUFBNQDU-IGKIAQTJSA-N 485.517 6.296 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc([N+](=O)[O-])c2)N1 587675879 BCEQFFQTCAEJQU-VVVCHXIZSA-N 458.125 5.057 5 1 JKBF COc1ccc(-c2nc(NC(=O)Nc3ccc(F)cc3F)sc2-c2ccc([N+](=O)[O-])cc2)cc1 1772580382 COYBHFTXFVFXHP-UHFFFAOYSA-N 482.468 6.316 5 1 JKBF COC(=O)N[C@H](c1cccc2c([N+](=O)[O-])cccc12)P(=O)(Oc1ccccc1)Oc1ccccc1 1857550038 APIYXNODBRTNRP-DEOSSOPVSA-N 492.424 6.454 5 1 JKBF O=[N+]([O-])c1ccc(N2N=C(c3ccc(NCc4nc5ccccc5[nH]4)cc3)C[C@H]2c2ccco2)cc1 5724204 RROAABDFHLYJJV-VWLOTQADSA-N 478.512 6.032 5 1 JKBF CN(C/C=C/c1ccccc1)CCCCCn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21 49807683 SCZILKACWIIQAM-LFIBNONCSA-N 484.600 6.339 5 1 JKBF COc1ccccc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 49808459 KZRFJNGEKILSPF-GIWBLDEGSA-N 451.479 5.448 5 1 JKBF COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 82174416 PKTYJDLFRYQAMS-UHFFFAOYSA-N 489.557 5.460 5 1 JKBF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1C=O 586968532 STJOPSLPQLXUQE-UHFFFAOYSA-N 498.999 5.971 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)N2 587031704 PDGPDLYLOFWBQT-UWZPUTRXSA-N 494.396 5.361 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587040351 NGVAALWVQCQRMF-UHFFFAOYSA-N 467.348 6.079 5 1 JKBF CCCCCOc1cc2nc(-c3ccc(OCCOC)c([N+](=O)[O-])c3)[nH]c2cc1Br 587264145 BGFROHOUGUOTPD-UHFFFAOYSA-N 478.343 5.495 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(C)c1[N+](=O)[O-] 587265022 KYUKALFICWGQLU-UHFFFAOYSA-N 494.271 5.781 5 1 JKBF C[C@@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370852 CKXVPWNFFRXCHK-URXFXBBRSA-N 496.541 5.959 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(F)c(C(=O)O)c3)cc1[N+](=O)[O-])CC2=O 587466129 KAANAHZVLNTAGO-QHCPKHFHSA-N 465.433 5.464 5 1 JKBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587645102 VJUQXWFEMRBMLJ-PKTZIBPZSA-N 460.873 5.588 5 1 JKBF CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587749843 ZTBWHFWFQBMHKN-SASJJMKUSA-N 481.362 5.554 5 1 JKBF O=[N+]([O-])c1ccc(OCc2ccc([C@H]3NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)o2)cc1 962949912 DETDGAPVNSLMTO-HSZRJFAPSA-N 488.462 5.526 5 1 JKBF O=[N+]([O-])c1ccc(Cl)c([C@@H]2CC(c3cccc4ccccc34)=Nc3ccccc3[S@@]2=O)c1 5810697 YSEGBBFOGYVBHK-ZOYWYXQUSA-N 460.942 6.775 5 1 JKBF CN(C)Cc1ccc(CSCCNc2cc(Nc3ccc(F)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 13726522 YXBRWTPSYYDWIO-UHFFFAOYSA-N 489.529 5.386 5 1 JKBF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@+](C)(CCc4ccccc4)[C@@H]2N3C)cc1 253806884 QAOKOBSRMLDYEY-JPQKPEMJSA-O 484.664 6.548 5 1 JKBF C[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199359 CPCZHKGGAAGJCX-SFHVURJKSA-N 499.574 6.601 5 1 JKBF CC(C)(C)[C@]1(COc2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541637 GJBVNDUZEGKVPE-PXDATVDWSA-N 483.904 5.779 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N1 587698412 PZYFOJASFRPTKD-CFMSYZGJSA-N 465.706 6.033 5 1 JKBF C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587840397 IVIWHQWOMMOEFE-RIDFSIMASA-N 496.376 6.065 5 1 JKBF CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4051436 FXGDTEVQGMOVAA-ZCYQVOJMSA-N 491.975 5.954 5 1 JKBF C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCCCC1 13808533 LASDXRKNUJXDEG-UHFFFAOYSA-O 451.634 6.843 5 1 JKBF CC(=O)C[C@@H](O)/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 14685500 IMAVGDVEEYAALY-CHXWHJMASA-N 490.728 7.834 5 1 JKBF endogenous,in-man O=C(O)CCc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccc(CCC(=O)O)s2)s1 28473384 YXYLSGIDXPMVNW-UHFFFAOYSA-N 488.590 6.274 5 1 JKBF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1C=O 586967615 BTLIUZSKPJBTCS-UHFFFAOYSA-N 498.999 5.971 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 587333015 HEWPRHGLMVQVJN-IAPPQJPRSA-N 469.468 5.937 5 1 JKBF Cc1ccc([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587340104 VAPRUWHGVKROFI-JTRRGIFZSA-N 462.477 5.078 5 1 JKBF O=C(O)c1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587345536 ZXFBVXUMKBHVHS-LEAFIULHSA-N 499.450 5.440 5 1 JKBF Cc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 587575294 ISWAQZACCIVJJD-SQHAQQRYSA-N 469.449 6.104 5 1 JKBF O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656276 FCSNTMFKGLNAPR-UHFFFAOYSA-N 497.866 5.807 5 1 JKBF C[C@H](N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 40565949 GKSORJDHTIZSDG-CNVLFFCLSA-N 479.602 5.202 5 1 JKBF O=C(Nc1ccc(Oc2ccnc3c([N+](=O)[O-])cccc23)cc1)c1cc(C(F)(F)F)ccc1F 72173055 VQQYSWPPSHQZEL-UHFFFAOYSA-N 471.366 6.346 5 1 JKBF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134426 NFSPEYYCSADRKP-VGSWGCGISA-N 451.571 5.353 5 1 JKBF CC(C)CN(CC(C)C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 82136072 UKVAORNDMXFQNI-UHFFFAOYSA-N 493.583 5.600 5 1 JKBF O=[N+]([O-])c1ccc([C@@H](O)C[C@H](O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 95785116 AVXZWYCDHOFEQY-VXKWHMMOSA-N 462.527 5.494 5 1 JKBF O=S(=O)(Nc1ccsc1-c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(F)cc1 587170393 PRPKMPGVTOQUTG-UHFFFAOYSA-N 475.530 5.328 5 1 JKBF CC(C)Oc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1Br 587269342 BGBIVANDWRTNNK-UHFFFAOYSA-N 453.296 5.750 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 587550227 VTJFIBVOYXFYKA-JYFHCDHNSA-N 489.867 6.449 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)ccc3F)c(C)c2c1 587619231 CWIMMBUPEAMKQK-UHFFFAOYSA-N 473.457 5.139 5 1 JKBF CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587644858 DTYOINXCGOAGHE-LIJGZOPESA-N 474.567 9.003 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)N1 587703718 ZIKDFFYWCHUHGP-VERVWZFWSA-N 491.744 6.566 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 587751977 PEKFRKZILXWSIC-LFPIHBKWSA-N 480.337 6.064 5 1 JKBF CC(C)c1nn(C)c2c1[C@@]1(NCC2)c2ccccc2CC[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1 962917138 ZICCAFPTFBQUJC-KBMIEXCESA-N 450.970 5.224 5 1 JKBF CC(C)=CCC/C(C)=C/CC/C(=C/Cc1cc(O)cc2c1oc(=O)c1c(O)ccc(O)c12)C(=O)O 1772574668 JXNUNWNLZQPFCK-HVTKOPHBSA-N 478.541 6.089 5 1 JKBF O=C1c2ccccc2CS[C@@]12ON=C(c1ccc(Cl)cc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 31909957 AUYAUUMMBWPIBH-NZQKXSOJSA-N 450.903 5.592 5 1 JKBF CC(=O)C[C@@H](O)/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 146338611 IMAVGDVEEYAALY-INGFFFGLSA-N 490.728 7.834 5 1 JKBF COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587362766 NBOIKEUIWRZGTJ-JCMHNJIXSA-N 480.476 6.278 5 1 JKBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)ccc1O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 587944141 YWABDBYGSYPDRH-HACGYAERSA-N 469.351 6.141 5 1 JKBF COc1cc2c(cc1OC)[C@@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1Cl)N(C)[C@H](C)C2 962623447 IKILDAHEVRGHES-SGANQWHYSA-N 467.953 5.016 5 1 JKBF COC(=O)c1cc2ccccc2n1CCCCCCCCOC(=O)Cc1ccc([N+](C)(C)C)cc1 13524931 AYKFDJNKPOSSMF-UHFFFAOYSA-N 479.641 5.751 5 1 JKBF C[C@@](C(=O)O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)(c1cccs1)N1CCCCC1 73165929 ABIVXWKXMJCZMZ-LQXXZEARSA-N 481.726 5.624 5 1 JKBF COc1cc(O)c2c(c1)CCc1cc(O)c(-c3c(OC)cc(O)c4c3ccc3cc(O)ccc34)cc1-2 238744422 GECLWMVZGSZWMK-UHFFFAOYSA-N 480.516 6.265 5 1 JKBF CCCn1cnc2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc(Br)c21 587003138 FQGDLMLYAMNHNB-UHFFFAOYSA-N 457.335 5.849 5 1 JKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587069277 DNUUCCKQRSPVDA-ONRSXHBGSA-N 459.380 7.332 5 1 JKBF N[C@@H](Cc1ccc(I)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587184861 GOILXWTWIPDHDB-FQEVSTJZSA-N 463.322 5.716 5 1 JKBF CC(C)CCOc1cc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2cc1Br 587271372 BBUFKVFEPCWAGW-UHFFFAOYSA-N 496.361 7.118 5 1 JKBF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C 587499144 HOHJOTDHELTBLC-JOCHJYFZSA-N 481.936 5.395 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587727996 DZMXHSLCYYSQST-YTEVENLXSA-N 491.357 6.410 5 1 JKBF Cc1cc(C)cc(-c2c(OCCC[C@@H]3CCCCN3)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 26577394 ODCGRDVGQOHFAB-SFHVURJKSA-N 469.969 5.675 5 1 JKBF CCN1CCC[C@H](/N=c2\cc3n(-c4ccccc4)c4ccccc4nc-3cc2Nc2ccccc2)C1 27652485 IBIHBPUMQXVGGF-NOQFLZDHSA-N 473.624 6.259 5 1 JKBF CCCCN(CCCC)Cc1ccc2nc3ccc(CN(CCCC)CCCC)cc3nc2c1 32011117 TUNSRTQUQLWKHR-UHFFFAOYSA-N 462.726 7.587 5 1 JKBF CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82224945 VCRDUNZKJQOUFN-WOJBJXKFSA-N 467.614 5.288 5 1 JKBF CCOC(=O)C1=C(C)N=C(c2ccccc2)/C(=C(/O)OCC)[C@H]1/C=C/c1ccccc1[N+](=O)[O-] 169715068 IEGIPFFSPLOQPE-UIRMVVFQSA-N 462.502 5.370 5 1 JKBF O=[N+]([O-])c1cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2cc1F 586965696 OVOCGPGWYFTEMA-UHFFFAOYSA-N 484.900 5.456 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587095033 NGMLPIYBQDMTEI-UHFFFAOYSA-N 454.124 5.938 5 1 JKBF Fc1ccc(O[C@H](c2ccccc2)c2nc3c4cccnc4c4ncccc4c3[nH]2)c(Cl)c1 587159874 WRJCBYKXGVGEJN-RUZDIDTESA-N 454.892 6.620 5 1 JKBF C[C@@]1(Cc2ccc(Br)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323911 UQFUVOMXPMGSKY-GMAHTHKFSA-N 486.293 5.562 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1[N+](=O)[O-])CC2=O 587459866 QINHREKCMPHTBD-GOSISDBHSA-N 475.712 5.015 5 1 JKBF O=C1C[C@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587507779 SQTQUSVAJGKMGR-XMMPIXPASA-N 451.425 6.251 5 1 JKBF CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645044 ILSBFLCSQNEJFD-CGRWFSSPSA-N 474.567 9.003 5 1 JKBF COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1[N+](=O)[O-] 587743341 AMLQAHCXEAPFEI-ZLOXQWCVSA-N 499.336 5.574 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)N1 587748017 RRBPIUIDCPEZPQ-QKFKETGDSA-N 470.342 5.888 5 1 JKBF COc1cccc(C)c1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587786112 HQECQIZHJINCIA-UHFFFAOYSA-N 492.487 5.829 5 1 JKBF O=[N+]([O-])c1ccc(N2CCN(CC[C@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1 13861739 WIAJLSSJTOJBIE-VWLOTQADSA-N 485.506 5.946 5 1 JKBF CCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174040 DWUHKGDTAQJRDW-UHFFFAOYSA-N 491.573 6.072 5 1 JKBF Cc1cc(C)c(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc3cccnc32)c(C)c1 84739818 RYZYIOCDZLWYPU-UHFFFAOYSA-N 481.965 5.638 5 1 JKBF C[C@]12CC[C@H]([N+](C)(C)c3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]([N+]1(C)CCOCC1)[C@@H]2O 95562857 CARCYENLLXMOQZ-BYJLRJPWSA-N 496.780 5.481 5 1 JKBF CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1cc2ccccc2c2ccccc12)c1ccnc2ccc(O)cc12 299813155 OVOHVXCZSNSNOD-HAIDTHODSA-N 488.631 7.487 5 1 JKBF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@H]2CCCC[C@H]21 586961086 PGTCYFNJNCIINM-BAEUJYSMSA-N 481.621 6.564 5 1 JKBF Cc1ccc(-n2ccnc2SCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C)c1 586967114 WPAQMYCANDBVMM-UHFFFAOYSA-N 458.341 5.328 5 1 JKBF O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(F)c3)nc3ccc(O)c1c23 586986473 MICWRWBBMDHVQE-UHFFFAOYSA-N 492.462 6.445 5 1 JKBF CC(C)OC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587747199 NAQARBFJYOULJP-YRMPDPGOSA-N 491.357 5.281 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)N1 587748278 TUEWZCNNJAMNSU-XUSGNXJCSA-N 461.287 5.292 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc12 587749780 FUOGAZSSDGEBKX-LLVKDONJSA-N 484.281 5.211 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 587751478 MWVYLNFXLUDURT-XMHCIUCPSA-N 457.299 5.912 5 1 JKBF O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2-c2c3c(nn2-c2ccccc2)-c2ccccc2C3)cc1 1857551485 APNBLWPZBMOUQO-UHFFFAOYSA-N 495.542 6.871 5 1 JKBF Cc1nn(-c2ccccc2)c(Oc2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2)c1[N+](=O)[O-] 1857743974 QURHGCLYZXQURU-UHFFFAOYSA-N 455.430 5.123 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586999090 VFBMGSYLLVWJHF-POHAHGRESA-N 489.123 6.427 5 1 JKBF CC(C)COc1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Br 587264202 DDZHNVKOYNGLRG-UHFFFAOYSA-N 456.296 6.195 5 1 JKBF CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568106 KVMRBCDWPSPBKK-RPLLCQBOSA-N 486.455 5.387 5 1 JKBF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1COc1ccccc1[N+](=O)[O-] 587574710 GUHKFSXZTIPNIX-LEAFIULHSA-N 499.475 5.591 5 1 JKBF COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccccc2[N+](=O)[O-])cc1 587628104 ODGDRPQKOHRTBT-UHFFFAOYSA-N 480.364 7.456 5 1 JKBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)CCC=C(C)C)CCC(C)(C)O4 2356461978 AMTWPTCWHPZWRT-UHFFFAOYSA-N 478.585 6.705 5 1 JKBF COc1ccc2c(CNCCCCCCCCCCC(=O)O)cc3cc4c(cc3c2c1)OCO4 28706211 UODPAVJUIYTGLW-UHFFFAOYSA-N 465.590 6.415 5 1 JKBF Cc1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163860 HBFRBRQFAWAGEN-UHFFFAOYSA-N 453.527 6.249 5 1 JKBF O[C@H](C[C@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(Cl)ccc12 169337854 MBWJNYQIIJECKU-FOIQADDNSA-N 475.860 7.250 5 1 JKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)o1 587266241 XQRTVYHITHFHQG-UHFFFAOYSA-N 463.085 5.923 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Oc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 587341093 IPRFFPFMOWZJGU-BDYUSTAISA-N 469.424 5.848 5 1 JKBF CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587749845 ZTBWHFWFQBMHKN-UTWWPYJBSA-N 481.362 5.554 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3ccc4cccc5ccc2c3c45)N1 587814299 GUAMPDPKDHJJFO-QZXCRCNTSA-N 458.374 7.283 5 1 JKBF COc1cccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)c1OC 775913 URULIBSOTDHIMU-UHFFFAOYSA-N 487.940 5.190 5 1 JKBF O=C1Nc2cc([N+](=O)[O-])ccc2/C1=C(/Nc1ccc(CN2CCCCC2)cc1)c1ccccc1 40979832 RSVCITJDQCYOIT-QPLCGJKRSA-N 454.530 5.513 5 1 JKBF C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1 73160567 OZXJKDPJLLASGG-GFDKVKMOSA-N 461.670 5.173 5 1 JKBF Cc1nc2c3ccccc3ccc2c2nc3c(ccc4ccccc43)c(-c3cc([N+](=O)[O-])ccc3N)c12 103299566 OXDXLPAJFXFAEJ-UHFFFAOYSA-N 480.527 7.708 5 1 JKBF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587092168 NFBDQKOZHJQEBQ-UHFFFAOYSA-N 498.343 5.168 5 1 JKBF O=C1c2ccccc2-c2cc(CSc3nc4ccc([N+](=O)[O-])cc4s3)nc3cccc1c23 587207545 GKOGMBFRZQZDIJ-UHFFFAOYSA-N 455.520 6.256 5 1 JKBF O=C(O)c1ccccc1Sc1c(-c2ccc(OC(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587646616 XVBOTGAQJWDEFN-UHFFFAOYSA-N 456.426 6.194 5 1 JKBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCCC2OCC(C)(C)CO2)(c2ccc([N+](=O)[O-])cc2)N1 962947566 BZGGANRBFGLZGV-NGOKVRLYSA-N 477.605 5.813 5 1 JKBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(Sc3cccc(F)c3)cc(Cl)cn12 1857557392 CWBFCGVWKVSYRB-UHFFFAOYSA-N 477.926 5.160 5 1 JKBF O=C(c1ccco1)N(c1ccccc1Br)c1c2ccccc2c(=O)n2c1[nH]c1ccccc12 1857766749 RUQJQAODPVTSLP-UHFFFAOYSA-N 498.336 6.268 5 1 JKBF CCC(CC)[N+](C)(C)Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(C)cc4)ccc3OCC2)cc1 13808556 DZPMDPNRYBBNFJ-UHFFFAOYSA-O 483.676 7.232 5 1 JKBF CC[C@H](C)Nc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 82135015 XQCHXLZROSSAHT-SCMUXVNPSA-N 451.571 5.063 5 1 JKBF C[C@H]1[C@@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C 82216873 ZNUMGBWEBACCLN-LFUSFCIXSA-N 491.636 5.845 5 1 JKBF CCCCn1cc(C(=O)OCC)c(=O)c2c3nc(-c4ccccc4)c(-c4ccccc4)nc3ccc21 169307944 RFUKPAXPPQPAED-UHFFFAOYSA-N 477.564 6.256 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 586949546 YHMVUVLFRMUETE-UHFFFAOYSA-N 492.435 5.146 5 1 JKBF Cc1ccc(-n2cnnc2SCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Cl 586967746 FEMFBKMOWXLNFF-UHFFFAOYSA-N 457.950 5.494 5 1 JKBF O=C(CSCc1nc2c3ccccc3c3ccccc3c2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114717 XPTPKIFOBGGIOM-UHFFFAOYSA-N 465.500 6.760 5 1 JKBF FC(F)(F)c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(I)c1 587179302 UINCGBUPVGNGAX-UHFFFAOYSA-N 488.250 7.160 5 1 JKBF O=[N+]([O-])c1ccccc1[C@@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949644 CPZXVXHGHXVPAO-VWLOTQADSA-N 468.475 5.557 5 1 JKBF O=[N+]([O-])c1ccc(C[C@]2(c3ccc4ccccc4c3)NCCc3c(Cl)cc(Cl)cc32)cc1 963120596 KZHKAEJFVKGFNF-AREMUKBSSA-N 463.364 6.687 5 1 JKBF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149417 RGRYJQKMAFHSDM-IRXDYDNUSA-N 479.968 5.435 5 1 JKBF C[C@@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C 105175267 DCDLAGQJLOXJRD-DTJFYBITSA-N 477.609 5.597 5 1 JKBF CC[N+](CC)(CC)C[C@@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 299821255 CAKIDXVQPQYVLV-BRLXWGKWSA-N 458.707 5.601 5 1 JKBF Nc1ccc(/C=C/c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 587251686 LODLSFHTMCMBRG-XCVCLJGOSA-N 489.487 5.598 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@](COc1ccc([N+](=O)[O-])cc1)(c1ccc(Br)cc1)O2 587372273 OYFLBOHMDVAXDQ-HSZRJFAPSA-N 483.318 5.188 5 1 JKBF O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509794 XINZRRFZOJDMLX-SANMLTNESA-N 477.900 5.734 5 1 JKBF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccc([N+](=O)[O-])cc1 587511805 JCAIUTGSTPOPSK-RUZDIDTESA-N 459.498 5.768 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587734352 QXGRBAKCTMZBEM-VERVWZFWSA-N 491.357 6.410 5 1 JKBF COc1ccc2[nH]c3ccccc3c(=Nc3ccccc3-c3nc4cccc(C(N)=O)c4[nH]3)c2c1 1857746750 YAYXXAXQEUALMP-UHFFFAOYSA-N 459.509 5.204 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](c1ccc(F)cc1)CC(=O)N3 1857770190 GGJJQYSXGANUAL-INIZCTEOSA-N 461.489 5.641 5 1 JKBF CCCC[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)NCCc1ccccc1F 82195613 KJPSSDFOWCRZJF-FQEVSTJZSA-N 456.543 5.187 5 1 JKBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCc2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 169723590 YOLJACOKHSYUOL-XNMGPUDCSA-N 498.535 5.627 5 1 JKBF CC[N@+]1(C)CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 254111026 ATTLRCVUJOHHKI-ZXKWBQDJSA-N 462.224 5.857 5 1 JKBF O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc([N+](=O)[O-])cnc6[nH]5)c34)c12 586885781 WOAWLBJRJIXHLD-UHFFFAOYSA-N 460.449 6.205 5 1 JKBF CC(C)COc1cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2cc1Br 586969759 XSADIPYKMGQIQF-UHFFFAOYSA-N 478.412 6.684 5 1 JKBF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1cccc(Cl)c1 587071755 PWWSUHZFPAGYRB-CQSZACIVSA-N 451.310 5.586 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1ccc(C(=O)OC)cc1[N+](=O)[O-])CC2=O 587472333 GTMHCLGFSDJEJQ-DEOSSOPVSA-N 477.469 5.538 5 1 JKBF C[C@]1(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576720 PJQYQVHDTDOIQB-LEAFIULHSA-N 483.476 5.756 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1 587692918 IHNKEHWSMROVIA-SBKAZYGRSA-N 465.706 6.033 5 1 JKBF CN(C)C(=O)c1ccc2c(c1)[C@@]1(NCC2)c2ccccc2CC[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1 962925450 NACHTODIJURJCO-AJTFRIOCSA-N 475.976 5.069 5 1 JKBF COc1cccc2cc3c(nc12)[C@@]1(NCC3)c2ccccc2CC[C@@H]1c1cc(Cl)c([N+](=O)[O-])cc1C 963033951 KSNMEIUXVFHNMB-RNWIMVQKSA-N 499.998 6.233 5 1 JKBF O=C1C2=C(CCCC2)[C@@](OCC2(CO)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 72126861 SZSOLNXOTCMDMI-SANMLTNESA-N 482.964 5.103 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 82163452 AKXLPLGBZWGAHY-UHFFFAOYSA-N 499.552 6.364 5 1 JKBF Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@@H]3c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 103208310 FARFLQIKUBSKKL-HSZRJFAPSA-N 475.486 5.133 5 1 JKBF CCOC(=O)C1=C(C)N=C(c2ccc([N+](=O)[O-])cc2)/C(=C(/O)OCC)[C@@H]1/C=C/c1ccccc1 169715018 OOXUYGQRUGHTMH-JOEKSINGSA-N 462.502 5.370 5 1 JKBF O=C(O)c1cc(-c2nc(-c3ccccc3C(F)(F)F)cs2)ccc1-c1ccccc1[N+](=O)[O-] 204983027 KVCDMVFZRHJNAS-UHFFFAOYSA-N 470.428 6.769 5 1 JKBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 587261697 GGZIXLVJMXRBCH-UHFFFAOYSA-N 482.334 5.743 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)c(C)c1)(c1cc([N+](=O)[O-])ccc1Cl)CC2=O 587463786 ZVWBIRLFTHSGCD-SANMLTNESA-N 465.933 6.432 5 1 JKBF C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)c1ccc(Cl)c(Cl)c1 13677737 QNAFPYDKFXMDEI-UHFFFAOYSA-N 466.885 7.867 5 1 JKBF CC(=O)N1c2ccccc2S[C@@H]1c1cc([N+](=O)[O-])ccc1OCCCCN(C)C1CCCCC1 28008088 GPOKYYLVAGOZAD-AREMUKBSSA-N 483.634 6.176 5 1 JKBF O=C(c1ccccc1)N(Cc1c2ccccc2cc2ccccc12)[C@H](CO)Cc1c[nH]c2ccccc12 71318126 ZZVJWXNRLHDJBC-MHZLTWQESA-N 484.599 6.720 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2ncc(-c3ccccc3)s2)cc1 82174662 LHVNOLFYDBGQMN-UHFFFAOYSA-N 497.555 6.636 5 1 JKBF O=C(O[C@H]1C[N+]2(CCOCc3ccccc3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1 103279986 OMFYQFNPSPKZFA-KGBLJUBMSA-N 450.643 5.582 5 1 JKBF Brc1ccc([C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)N2CCCC2)cc1 586984642 IBYPRXOUTNVBAQ-RUZDIDTESA-N 456.387 6.817 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587082160 FWGKJBZCNDABQJ-UHFFFAOYSA-N 479.721 6.769 5 1 JKBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1Sc1cc(OC)ccc1OC)[C@@H](C2)C3=O 587449051 AKDDUCAIKNPEKS-AVRWGWEMSA-N 479.510 5.261 5 1 JKBF O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587512246 MLZFLBUDDFOGHI-AREMUKBSSA-N 465.509 6.033 5 1 JKBF CCOC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccc1[N+](=O)[O-] 587627704 JAKRNGDZAYWUJZ-UHFFFAOYSA-N 460.330 5.886 5 1 JKBF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 963186636 VHUPPWCTIBZFGA-RBBKRZOGSA-N 493.869 5.391 5 1 JKBF CC(C)(C)c1ccc(CNC(=O)c2c(C(C)(C)C)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 2483472 YGXCDILDHQSDFY-UHFFFAOYSA-N 479.533 5.504 5 1 JKBF Oc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(O)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1 35802660 XCOXZEDOXSZBGG-UHFFFAOYSA-N 494.554 7.401 5 1 JKBF O=[N+]([O-])c1cccc(-c2nc(NC[C@H]3CCCO3)ncc2-c2ncc(-c3ccccc3)s2)c1 82163616 WQPLWZFDVIUYEQ-LJQANCHMSA-N 459.531 5.433 5 1 JKBF COc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82221497 CBYBBGZRRZUTSB-UHFFFAOYSA-N 461.547 5.455 5 1 JKBF O=[N+]([O-])c1cccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)c4ccccc4)c23)c1 95603678 VBHDQDBZRZFSML-OAQYLSRUSA-N 452.470 5.611 5 1 JKBF CCOC(=O)c1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587512176 LPBDDXBZBLWFPS-MUUNZHRXSA-N 471.509 5.559 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 587614644 UADOCGAEBZXKLJ-OZXSUGGESA-N 471.490 6.155 5 1 JKBF O=c1c(-c2ccccc2Cl)coc2cc3occ(-c4ccccc4Cl)c(=O)c3c(O)c12 653882237 BGWISWFCLXEXNF-UHFFFAOYSA-N 451.261 6.246 5 1 JKBF C[C@](O)(CSc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857613874 JMBRREJFMRHDCI-INIZCTEOSA-N 468.375 5.114 5 1 JKBF Cc1oc(-c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174150 URXDDRFDCJTNLO-UHFFFAOYSA-N 455.518 6.427 5 1 JKBF Cn1c2nc3ccccc3c-2c(NCCCCCCNC(=O)Nc2ccccc2)c2ccccc21 103076907 DEGRIJSPPFYFJP-UHFFFAOYSA-N 465.601 6.625 5 1 JKBF CC[N@+]1(C)CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 253683240 ATTLRCVUJOHHKI-KEBYJDCJSA-N 462.224 5.857 5 1 JKBF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587121630 ILGYURRNIFDSDN-UHFFFAOYSA-N 475.495 7.867 5 1 JKBF C[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587200083 VACVIPYTXBRPSS-SFHVURJKSA-N 499.574 6.601 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1 587692914 IHNKEHWSMROVIA-CFMSYZGJSA-N 465.706 6.033 5 1 JKBF CN1CCc2c(Br)cccc2[C@]1(C)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 963281663 UMHLWNPYBWCFRX-DEOSSOPVSA-N 467.363 5.688 5 1 JKBF O=c1c(Sc2c(O)c3ccccc3c3ccccc3c2=O)c(O)c2ccccc2c2ccccc12 1619539 LLNGOGFIWWJSKT-UHFFFAOYSA-N 474.537 6.582 5 1 JKBF O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@H](O)Cn3cccn3)c(Cc3ccccc3)cc2c1 43013981 LRSOTOUOZRFQRD-RUZDIDTESA-N 484.487 5.595 5 1 JKBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)cc3Cl)cc1)C2 45318386 UYAFPHSEADQNSM-HNNXBMFYSA-N 453.804 5.108 5 1 JKBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148604 IZPSAUAJBWUHND-ROUUACIJSA-N 493.995 5.968 5 1 JKBF O=c1c2ccc(Cl)cc2sc2c(N3CCN(c4ccccc4)CC3)nc3ccccc3c12 473168928 LSEIGWMTONRZOM-UHFFFAOYSA-N 457.986 5.943 5 1 JKBF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 587048376 URLRLPALUMPTRX-WZUFQYTHSA-N 486.837 6.566 5 1 JKBF COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1[N+](=O)[O-] 587512323 WSTQUGJQYQNRHH-VWLOTQADSA-N 457.482 5.634 5 1 JKBF CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CC)c5C)C(C)=C4CC)c(CC)c3C 13308608 BFRVGQZWGWUHBQ-UHFFFAOYSA-N 478.684 8.738 5 1 JKBF COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 82163765 ULPVXMNKGCOIQN-UHFFFAOYSA-N 489.532 5.020 5 1 JKBF O[C@H](C[C@@H]1CCCCN1)c1cc2cc(Br)ccc2c2cc(Br)ccc12 169338461 ULDCKCBOSBRMMS-HRAATJIYSA-N 463.213 6.084 5 1 JKBF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)cc2)CC1 586881365 URFPMQVJABFTQG-WKILWMFISA-N 456.384 7.365 5 1 JKBF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)c21 587032072 YQODMSMRELRAFV-LLVKDONJSA-N 457.353 6.193 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587057475 XGONYIOQEWIDFS-OAHLLOKOSA-N 491.804 5.301 5 1 JKBF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1OC 587058345 UFKZJAJERKAHFH-UHFFFAOYSA-N 466.881 5.369 5 1 JKBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587949521 VRERNGSFCXEUHH-YDIMBITNSA-N 478.596 6.944 5 1 JKBF COc1cc2c3c(c4ccc(OC(=O)c5cccnc5)cc4c2cc1OC)CN1CCCC[C@H]1C3 1772633400 XJKZGXIEGXTCMY-IBGZPJMESA-N 468.553 5.535 5 1 JKBF O=[N+]([O-])c1ccc(CN(Cc2ccc(Cl)cc2)C[C@H]2CCN(Cc3ccccc3)C2)s1 84671700 QHEIHDDOKLYFDH-NRFANRHFSA-N 456.011 5.834 5 1 JKBF O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc([N+](=O)[O-])cc1 96167947 SXEBZBGJVDYQAR-UHFFFAOYSA-N 481.317 5.346 5 1 JKBF COc1ccc(-n2c(C)nc3c(-c4ccc(Cl)cc4)nc4ccc(OC)cc4c3c2=O)cc1 98084437 MPQMDCJUDTWKNS-UHFFFAOYSA-N 457.917 5.580 5 1 JKBF CC1(C)CC2=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(O)c3[C@H](c3cccs3)C2=C(O)C1 103948801 YONFVLWGRGFTDV-LJQANCHMSA-N 494.598 6.294 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)cc2)nc1C(F)(F)F 587118510 OMHALOHZINRTJX-UHFFFAOYSA-N 457.746 5.333 5 1 JKBF Clc1ccc(I)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587182522 IJGUFVTZIJLCHX-UHFFFAOYSA-N 456.674 5.584 5 1 JKBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1 587573316 BCGGRFOMHFPRHA-NAKRPHOHSA-N 499.475 5.591 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N1 587698419 PZYFOJASFRPTKD-WVDJIFEKSA-N 465.706 6.033 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(Br)cc1[N+](=O)[O-] 587857776 UQSZVQFQEHVRLE-UHFFFAOYSA-N 458.099 5.311 5 1 JKBF O=[N+]([O-])c1ccc([C@H]2CCCCCC[C@@]23NC2(CC2)Cc2ccc(Br)cc23)cc1 961612110 DZGCLDUAOJRAAZ-ZJSXRUAMSA-N 455.396 6.369 5 1 JKBF COc1ccc2c(c[n+]3c4c2cc(Cc2ccccc2)c2c5c(cc(c24)CC3)OCO5)c1OC 1857538099 CINHJUVUQCTCQD-UHFFFAOYSA-N 450.514 5.327 5 1 JKBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1 1857608116 WDAAQYZECVXAES-UHFFFAOYSA-N 450.498 6.061 5 1 JKBF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc5nc6ccccc6nc5cc4[nH]3)CC2)cc1 586955107 LBAKXDDMOABOHW-UHFFFAOYSA-N 485.613 5.351 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccc(C)c([N+](=O)[O-])c3)c(Cl)c1)CC2=O 587462117 MVEZURZLUJOBBB-HHHXNRCGSA-N 495.959 6.674 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 587751678 NNNQDKXVBFSCNO-BSNNYGBQSA-N 483.293 5.001 5 1 JKBF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2c3ccccc3cc3ccccc23)N1 963165257 BKPFLSZQUUAYNS-FYYLOGMGSA-N 455.863 6.354 5 1 JKBF CCOP(=O)(OCC)C(=Cc1c2ccccc2cc2ccccc12)P(=O)(OCC)OCC 1772578199 FFBFZSFLAOADHS-UHFFFAOYSA-N 476.446 7.824 5 1 JKBF CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCCC2)cc([N+](=O)[O-])c1O 15277245 VOMODTHEIPPDSY-HSZRJFAPSA-N 484.549 5.773 5 1 JKBF COc1ccc(Cl)cc1C(=O)Nc1ccc(C2=NN(C)[C@H](c3ccccc3[N+](=O)[O-])C2)cc1 96934183 JQGNGHHBIIJDRD-QFIPXVFZSA-N 464.909 5.290 5 1 JKBF c1ccc2c(c1)ccc1c(CN3C[C@@H]4CC[C@@H](C3)N4Cc3cccc4c3ccc3ccccc34)cccc12 101416999 LWQZEQAHVYKQRP-KYJUHHDHSA-N 492.666 8.148 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc([N+](=O)[O-])c1 587135565 HUSXERJFGHNOLI-UHFFFAOYSA-N 471.242 5.923 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)N1 587746371 JQXRUOYNRVBQQK-WHEQGISXSA-N 481.325 5.435 5 1 JKBF CCc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587752323 RAIPQJYJZJRVEZ-WHEQGISXSA-N 459.315 5.478 5 1 JKBF COc1cc2c(cc1OC)[C@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1Cl)N(C)[C@@H](C)C2 962623442 IKILDAHEVRGHES-MQNRADLISA-N 467.953 5.016 5 1 JKBF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2ccc([N+](=O)[O-])c(Cl)c2Cl)N1 963184789 UCRFXSVSKAZGCY-IAQYHMDHSA-N 469.630 5.262 5 1 JKBF CCc1cccc(CC)c1NC(=O)Nc1nc(-c2ccc(C)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 1772609826 DANGHDASUCORGQ-UHFFFAOYSA-N 486.597 7.463 5 1 JKBF CCCCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 12496876 KRXOUZZWQXTUIB-MXZUZJFWSA-O 474.706 6.781 5 1 JKBF endogenous,in-man O=C1S/C(=C\c2c3ccccc3nc3ccccc23)C(=O)N1Cc1ccc(Br)cc1 84712617 CLVMUFNPZQJGKR-XKZIYDEJSA-N 475.367 6.387 5 1 JKBF Cc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587060673 CKJKKCZGOMVJLT-UHFFFAOYSA-N 489.970 6.390 5 1 JKBF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c(F)c2)c1 587147651 WUIWAMLXMAQJSD-UHFFFAOYSA-N 486.253 5.414 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)N1 587692983 BSNYKYLULMPKAD-WIUDPPPLSA-N 495.732 5.945 5 1 JKBF O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 100705955 BZCJEWQECBBRKN-UHFFFAOYSA-N 489.488 5.009 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587080461 CWDWCMGCEUOPQP-UHFFFAOYSA-N 469.686 5.264 5 1 JKBF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(F)(F)F 587712904 RHJVGAPBWLCTCQ-YYSFKGJASA-N 493.251 5.070 5 1 JKBF CC1(C)COC(CCC[C@]2(c3cccc([N+](=O)[O-])c3)c3c(F)cccc3C[C@@H]3CCCN32)OC1 963105384 PWSGCTMLOTZUEP-IDISGSTGSA-N 468.569 5.567 5 1 JKBF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 963613661 VIFHOAKITQVGAC-LFPIHBKWSA-N 473.356 5.745 5 1 JKBF CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3cccc(C)c3nc2Cl)S1)c1ccc([N+](=O)[O-])cc1 72109658 IRDLDHFDBSFPHB-OAQYLSRUSA-N 483.937 5.023 5 1 JKBF O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 100706017 HBAVGMPKRYNPFF-UHFFFAOYSA-N 456.483 5.114 5 1 JKBF C[C@@H](Nc1ncnc2[nH]c(-c3ccc(OCCCCCCC(=O)NO)cc3)cc12)c1ccccc1 138884085 FGGNCTXMNLDXQX-LJQANCHMSA-N 473.577 5.633 5 1 JKBF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 587333949 OGFJPGHPCZZOLN-AHKZPQOWSA-N 473.431 5.881 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 587550787 YNCHYTXORGPIID-BVAGGSTKSA-N 489.867 6.449 5 1 JKBF Cc1ccc2oc3nc(C)c([C@]4(C)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc3c(=O)c2c1 587585311 DDDNVXBKBYWEJO-GIGWZHCTSA-N 479.488 5.541 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2ccc3c(c2)oc(=O)c2ccccc23)N1 587838445 BKGJAAFHQBJBGU-PWECECGKSA-N 482.349 5.676 5 1 JKBF O=[N+]([O-])c1ccc(-c2cn([C@H](CN3CCCCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 653856975 CZXRUHJJJFXKFT-RUZDIDTESA-N 483.597 6.297 5 1 JKBF CC(C)(C)OC(=O)C[C@@](C)(O)C[C@@H](O)CSc1nc2c3ccccc3c3ccccc3c2[nH]1 27441150 SJVNCXHIUZEQPS-DXPJPUQTSA-N 466.603 5.195 5 1 JKBF CCn1cc(C[C@H](NCc2c3ccccc3cc3ccccc23)C(O)(CC)CC)c2ccccc21 71330732 LBXJIQNRAUIIDR-HKBQPEDESA-N 464.653 7.220 5 1 JKBF CCCCCc1nc(-c2cnc(NCc3ccccc3OC)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174781 SMTBIINEMDVXHI-UHFFFAOYSA-N 487.560 6.369 5 1 JKBF CCCCN(CCCC)c1ccc(-c2nn(-c3ccncc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587663791 REKZQHKLXGCQSI-UHFFFAOYSA-N 487.560 5.468 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(F)cc2[N+](=O)[O-])N1 587720505 RXHSHZXPOCXGPJ-VGDKGRGNSA-N 462.088 5.022 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2[N+](=O)[O-])(c2ccccc2)N1 587749858 ZTICPACDCGLWIB-ZBQBDOQQSA-N 467.338 5.988 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)N1 587842065 CZGOOCUCBXPHKJ-MCMMXHMISA-N 479.415 6.545 5 1 JKBF Cc1ccc(SC(C)(C)[C@H]2OC[C@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 27754314 KBYHRISSWBEZAH-UAMNSOICSA-N 486.590 5.710 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NCC3CCCCC3)ncc2-c2ncc(-c3ccccc3)s2)cc1 82174291 IFMIXXKQBVHGMB-UHFFFAOYSA-N 471.586 6.835 5 1 JKBF Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586984121 IENLFAOKARFWAE-UHFFFAOYSA-N 477.270 5.504 5 1 JKBF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587165850 MLKJEKHUCAGXSI-UHFFFAOYSA-N 485.526 6.136 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Br)cc2[N+](=O)[O-])N1 587675614 AMDLMNVBCSDABJ-MGNBDDOMSA-N 472.152 5.251 5 1 JKBF CCC[C@@H](CC1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782103 PQGVTTWNUFQLRC-QFIPXVFZSA-N 492.623 7.021 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 587859819 JSRMMAQPFBXXRG-UHFFFAOYSA-N 465.249 5.069 5 1 JKBF O=C([C@@H]1Cc2ccccc2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1)C(F)(F)F 962768834 RPSOVNYBYDTKQA-LPHOPBHVSA-N 495.251 5.352 5 1 JKBF O=C([C@@H]1Cc2ccccc2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1)C(F)(F)F 962768835 RPSOVNYBYDTKQA-QFBILLFUSA-N 495.251 5.352 5 1 JKBF C[N+](C)(CCCNCc1ccc(-c2ccc(Cl)cc2Br)o1)Cc1ccccc1 1857536761 ADOSAUJZZHZBRK-UHFFFAOYSA-N 462.839 6.119 5 1 JKBF COc1ccccc1CNc1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174783 CDSUHQREMBFLNP-UHFFFAOYSA-N 469.526 5.949 5 1 JKBF CCOC(=O)c1c(-c2cc3c(ccc4ccccc43)oc2=O)nn(-c2cccc(C)c2)c1C(=O)OCC 96928608 JWLLCMGHKAKAEU-UHFFFAOYSA-N 496.519 5.461 5 1 JKBF Cc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 105198115 PZQHVBRRZMFLGS-AACQNTANSA-N 463.607 6.275 5 1 JKBF Fc1ccc(-c2cn3c(Cc4nc5cc6nc7ccccc7nc6cc5[nH]4)csc3n2)cc1 587165653 ABAHOLATFAKDKV-UHFFFAOYSA-N 450.502 5.765 5 1 JKBF O=C(Nc1cccc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 587245067 WHRQWIWSZNIYOG-UHFFFAOYSA-N 490.519 6.423 5 1 JKBF C[C@@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576640 PBQBGBSSRAYOFD-SQHAQQRYSA-N 469.449 5.970 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c2cc2ccc3cccc4ccc1c2c34 587604317 SOZGJPUIMLHMKW-DITALETJSA-N 482.535 7.483 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2Cl)N1 587697340 OQLFVBILLLVMNX-YTEVENLXSA-N 490.760 5.558 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C)cc1[N+](=O)[O-] 587860591 YLUVISKXTROSNU-UHFFFAOYSA-N 450.278 5.191 5 1 JKBF COc1cc(N(Cc2ccccc2C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(OC)cc1Cl 45201105 PQAFWYUBPYULJH-UHFFFAOYSA-N 490.965 5.110 5 1 JKBF CC(C)C[C@H](Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1)C(=O)NCc1cccc(Cl)c1 82195908 PRDBKCCPTHKVGL-SFHVURJKSA-N 493.416 6.168 5 1 JKBF Cc1c(CCOC(=O)CC23C[C@@H]4C[C@H](CC(C)(C4)C2)C3)sc[n+]1Cc1ccc([N+](=O)[O-])cc1 100527573 OKTFAXLIKFXMON-QJMPUOCTSA-N 469.627 5.383 5 1 JKBF CC(=O)N1C(=O)/C(=C(\Nc2ccc(CN3CCCCC3)cc2)c2ccccc2)c2cc([N+](=O)[O-])ccc21 103298082 ZDCFWYMDJSXSMQ-DQSJHHFOSA-N 496.567 5.454 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1 587135622 KEJLIVNSUMXBTM-UHFFFAOYSA-N 494.242 7.034 5 1 JKBF CC[C@H](C)n1ncc(I)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587181664 YRLFUHQRGGUVSJ-NSHDSACASA-N 468.302 5.098 5 1 JKBF CC(C)(C)OC(=O)N[C@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239354 JOSFAPGRCVJGOR-DCMIEBIUSA-N 473.577 5.214 5 1 JKBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1 587573314 BCGGRFOMHFPRHA-LSYYVWMOSA-N 499.475 5.591 5 1 JKBF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 962920999 AAIPMUSWWDELLR-RRPNLBNLSA-N 498.491 5.573 5 1 JKBF O=C(/C=C/c1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 13646496 CUDFJLMRKQOMGF-MURVUTHMSA-N 488.931 5.109 5 1 JKBF COc1ccccc1[C@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 49808458 KZRFJNGEKILSPF-FUPPJEDESA-N 451.479 5.448 5 1 JKBF CC1CCN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82148049 HCFBYGDUSWGKSO-WTYSZDEDSA-N 477.609 5.089 5 1 JKBF COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc([N+](=O)[O-])c3)n2)c1 82163735 OWHWYENPAUDZSN-UHFFFAOYSA-N 491.573 5.464 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587067636 IIDIPSBZIMLEHH-UHFFFAOYSA-N 464.106 6.269 5 1 JKBF O=[N+]([O-])c1ccc(Oc2c(-c3ccc(Br)cc3)[nH]c3cc(Cl)c(F)cc23)cc1 587628930 VIPDXHUHOYRFPA-UHFFFAOYSA-N 461.674 7.090 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COc2ccc([N+](=O)[O-])cc2Cl)(C(C)(C)C)N1 587691477 BMQGHTJVKYHTBL-XUSGNXJCSA-N 485.781 6.004 5 1 JKBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587948852 KIJCODQSTMSDCG-FSQFJQELSA-N 478.596 6.944 5 1 JKBF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2ccc([N+](=O)[O-])c(Cl)c2Cl)N1 963184784 UCRFXSVSKAZGCY-ABAIWWIYSA-N 469.630 5.262 5 1 JKBF O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)Nc1ccc(F)cc1F 1772576595 IDPBAJSQLYKWOS-UHFFFAOYSA-N 470.432 6.447 5 1 JKBF Cc1ccc2c3c(cc([C@H](C)Oc4ccc5c(c4)oc(=O)c4ccccc45)nc13)-c1ccccc1C2=O 587101310 FFMQDXXVQSZGPC-SFHVURJKSA-N 483.523 7.154 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267535 MKDIRENNQLIGST-UHFFFAOYSA-N 451.486 5.231 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 587344208 WJSDTEQXDAUBNE-BDYUSTAISA-N 453.425 5.723 5 1 JKBF Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587507975 DXIUOWPVOBHMBZ-SANMLTNESA-N 466.534 6.177 5 1 JKBF COc1cc2c3c(c4ccc(OC(=O)c5cccs5)cc4c2cc1OC)CN1CCCC[C@H]1C3 1772610750 UMZLDGGIJATALN-KRWDZBQOSA-N 473.594 6.202 5 1 JKBF O=[N+]([O-])c1nccn1CCCN(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 73196760 DWPLDJJUQPADBR-UHFFFAOYSA-N 486.416 5.921 5 1 JKBF C[C@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82174631 ZCMSORVYCKOYAE-HDICACEKSA-N 471.586 6.325 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cc(Br)c2[nH]1 587053966 HYSVLOJAGILFBF-OAHLLOKOSA-N 469.698 5.153 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587261168 XEAJLBFOFSUAEU-CQSZACIVSA-N 488.525 6.099 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 587572849 AAQVHQIIEFQGNR-RCZVLFRGSA-N 459.410 5.175 5 1 JKBF Cc1c(F)ccc2c1[C@@]1(NCC2)c2ccccc2CC[C@H]1c1cc(Cl)c([N+](=O)[O-])cc1Cl 962371031 FXPORQLIZYFKHS-UQBPGWFLSA-N 471.359 6.468 5 1 JKBF Cc1c(OC[C@@]2(C)c3ccsc3CCN2Cc2ccco2)ccc2c1oc(=O)c1ccccc12 962707748 ODBJZXRDMQMSLV-NDEPHWFRSA-N 471.578 6.262 5 1 JKBF O=[N+]([O-])c1cc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(F)cc1Br 962717928 WVESHIMILHCTCS-WYRIXSBYSA-N 455.324 5.089 5 1 JKBF COc1c(O)c(CC=C(C)C)c2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4 13409907 CUYZXQYGOCULLG-UHFFFAOYSA-N 476.569 6.568 5 1 JKBF biogenic COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(=O)CC(C)C)C(C)(C)O2 26470863 JCWYKWVHWKXTNE-VSGBNLITSA-N 489.568 5.016 5 1 JKBF C[N+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@H]1[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 73292426 VCNWWPPKTLBCIZ-SKOIZEAASA-N 487.322 7.321 5 1 JKBF Cc1n([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)cc[n+]1Cc1ccc([N+](=O)[O-])cc1 96915801 LAJADKLJZRPHCP-SSEXGKCCSA-N 474.540 6.578 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586969439 RSQQQYSCMBGYHU-UHFFFAOYSA-N 463.403 6.924 5 1 JKBF Cc1cc(Br)ccc1-n1cccc1-c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 586980280 NDUBVYIYBYHKKM-UHFFFAOYSA-N 476.128 5.762 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C[C@@H]2CCCC[C@@H]21 587028712 ZMQXGHWNKXHSEU-JQFCIGGWSA-N 489.395 5.370 5 1 JKBF CCCC[C@@H](c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199408 FMBXVTDNQINLCO-SANMLTNESA-N 498.583 6.892 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(OCc4ccccc4)cc3[nH]2)CC1 587270613 WRHYHANAZIVFFU-UHFFFAOYSA-N 456.502 5.070 5 1 JKBF COc1cc(C=O)ccc1OC[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514393 XMPLBDBCYDKSBT-NDEPHWFRSA-N 487.508 5.234 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2[N+](=O)[O-])N1 587681914 SINGRKSXJKABST-XLFHBGCDSA-N 458.125 5.057 5 1 JKBF CC(C)=CCc1c2c(c(O)c3c(=O)c4c5c(c(O)cc4oc13)OC(C)(C)C=C5)C=CC(C)(C)O2 13382688 SEBKQPKNBBNVHW-UHFFFAOYSA-N 460.526 6.235 5 1 JKBF biogenic Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CC[N+]4(C)CCCCC4)cc2)CCO3)cc1 13808560 INJKKEOCLGEHDY-UHFFFAOYSA-O 481.660 6.640 5 1 JKBF CC[C@H](c1ccc(O)c(CCCNc2ccc([N+](=O)[O-])c3nonc23)c1)[C@@H](CC)c1ccc(O)cc1 29398328 UEXTVXPWIGUXFY-FCHUYYIVSA-N 490.560 6.274 5 1 JKBF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 82134662 UWWPEOZGKBKMRO-UZUQRXQVSA-N 477.540 5.154 5 1 JKBF COc1cc2cc3c4cc(-c5cccc6ccccc56)c(OC)c(OC)c4cc[n+]3c(C)c2cc1OC 95574987 ZKZHXIZYXIJJPO-UHFFFAOYSA-N 490.579 6.895 5 1 JKBF COc1cc(-n2c(C)nc3c(-c4ccc(Cl)cc4)nc4ccccc4c3c2=O)cc(OC)c1OC 98082271 WNCUPVFJXOSBIJ-UHFFFAOYSA-N 487.943 5.589 5 1 JKBF C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118933874 XOFUBFKYDOPJSX-FEGCCBOJSA-N 480.649 5.582 5 1 JKBF C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 299806548 XOFUBFKYDOPJSX-IMYVWUJASA-N 480.649 5.582 5 1 JKBF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@H]2CCCC[C@H]21 586962244 WBQGDEGLPDMAKP-KBEBOQJUSA-N 483.597 5.354 5 1 JKBF COc1cc(/C=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)cc(Cl)c1OCC(C)C 587047576 XYEDCIHFBMHZHG-SEYXRHQNSA-N 456.973 7.737 5 1 JKBF CC(C)CCOc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br 587048113 QWYYZRFZNSSELL-XQRVVYSFSA-N 464.747 6.482 5 1 JKBF Cc1c(Br)cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1C 587055855 QRSSLOQZEYYFMY-KRWDZBQOSA-N 479.762 5.631 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344578 HBHVBKAVPYOCSF-VAVYLYDRSA-N 481.479 5.769 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3[N+](=O)[O-])c(OC)c1)CC2=O 587472761 MKNYPXAHPHMNFZ-XMMPIXPASA-N 463.486 5.547 5 1 JKBF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc([N+](=O)[O-])c(C)c1 587512130 UNRJYTCYYOXOOC-HHHXNRCGSA-N 473.525 6.076 5 1 JKBF COc1ccc(OC[C@H]2c3ccc(OC(C)C)cc3CCN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 1772606493 KIFSPOKMPUJXCG-SANMLTNESA-N 476.529 5.209 5 1 JKBF CCc1ccc(Nc2n[n+](-c3ccccc3)c(-c3c4ccccc4cc4ccccc34)s2)cc1 15936202 HIPTYZKKKQSISZ-UHFFFAOYSA-N 458.610 7.699 5 3 JKBF CC[C@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163804 JJTYOXNUERLCFL-HNNXBMFYSA-N 491.573 6.070 5 1 JKBF CC(=O)N[C@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(Br)cc1 586986062 VEOXRUSZBGILPF-JOCHJYFZSA-N 458.359 6.052 5 1 JKBF Cc1ccc(-c2csc3ncnc(SCc4nc5cc([N+](=O)[O-])c(F)cc5[nH]4)c23)cc1 587038600 PVXURGAVJYDLLS-UHFFFAOYSA-N 451.508 5.883 5 1 JKBF Cc1ccc(-c2cc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c3cccc(Cl)c3n2)o1 587083030 ZJBQFMMVPDGXHW-UHFFFAOYSA-N 483.709 6.671 5 1 JKBF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)nc2c1 587135994 USHABVGNLRLPBJ-UHFFFAOYSA-N 498.308 6.192 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc([N+](=O)[O-])c1 587136019 VITGTIRCCIIXRH-UHFFFAOYSA-N 470.254 5.713 5 1 JKBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Sc3ccccc3)cc2[nH]1 587265468 FHSNZOWOLMNVTI-ASSNKEHSSA-N 465.491 5.065 5 1 JKBF O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl)c1coc2cc([N+](=O)[O-])ccc12 587280080 IIIOJRHWUSKOJD-UHFFFAOYSA-N 492.822 6.015 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)N1 587844210 KWPDNIRUJCOMIC-XUSGNXJCSA-N 477.355 6.005 5 1 JKBF CCN(CCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1OC 1772644778 RHQNSDVBPMZGIM-UHFFFAOYSA-N 463.599 5.810 5 1 JKBF Cc1ccc(S(=O)(=O)c2[nH]cc(/C(=C\C3CCCCC3)[N+](=O)[O-])c2C2CCCCC2)cc1 5840591 KVDQZTZZWPUXNM-XQNSMLJCSA-N 456.608 6.402 5 1 JKBF COc1cc2c(cc1OC)C(=O)[C@H]([C@@H](O)C1CC[N+](Cc3ccccc3)(Cc3ccccc3)CC1)C2 40688913 NDNZNGGMIRADBM-FIBWVYCGSA-N 486.632 5.047 5 1 JKBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccc(-c3ccccc3)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 49087558 CTZLYJWPYGMMPN-MHZLTWQESA-N 498.535 5.413 5 1 JKBF C[C@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174229 PAYVTQXPRWVKBH-HTAPYJJXSA-N 471.586 6.833 5 1 JKBF CNCOc1cccc(CN(C)CCCCCCCOc2ccc3c(=O)c4ccccc4oc3c2)c1 103170050 GRFVCGSENMYZKO-UHFFFAOYSA-N 488.628 5.963 5 1 JKBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)c1cccc(Cl)c1 587072450 WXNQVTRGYMPSEU-QHCPKHFHSA-N 471.988 7.331 5 1 JKBF CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587226061 RYRLTNOFMSQMKK-AREMUKBSSA-N 498.583 6.877 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1)CC2=O 587464430 PZRYWOPTLBGDDQ-QHCPKHFHSA-N 487.430 6.771 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c1)CC2=O 587471463 RAOLXKKVAKFAJS-XMMPIXPASA-N 463.486 5.547 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2)N1 587703391 YGUMHAJVSPPMLI-IPQOISQHSA-N 491.744 6.566 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)N1 587748015 RRBPIUIDCPEZPQ-LFVRLGFBSA-N 470.342 5.888 5 1 JKBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(Cc2ccc(C)cc2)cc1[N+](=O)[O-] 587865833 LAMNUEQIKFYITI-UHFFFAOYSA-N 499.449 5.118 5 1 JKBF CCOC(=O)CCCC[C@]1(c2ccc(OC)c([N+](=O)[O-])c2)NCCc2cccc(-c3ccccc3)c21 962667865 WKXKPBIMWLWSHM-GDLZYMKVSA-N 488.584 5.783 5 1 JKBF COc1ccc2c(c[n+]3c4c2cc(Cc2ccc(F)cc2F)c2c5c(cc(c24)CC3)OCO5)c1OC 1857538422 IQEZTAITUGORKV-UHFFFAOYSA-N 486.494 5.605 5 1 JKBF O=[N+]([O-])c1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1[N+](=O)[O-] 586998282 HPMATFFDAKVLFT-SOFGYWHQSA-N 455.224 5.572 5 1 JKBF CCc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587644303 TZAVNSDIGLKFPC-UHFFFAOYSA-N 450.336 6.680 5 1 JKBF O=C(C[C@@]1(c2ccccc2)c2cccc(F)c2CCN1[C@@H]1CCSC1)Nc1ccc([N+](=O)[O-])cc1 962706779 ONQBWEJYRPUOQC-AJTFRIOCSA-N 491.588 5.370 5 1 JKBF C[C@]1(c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)NCCc2cc(Cl)ccc21 963391504 VNCCJESCKPZPMT-JOCHJYFZSA-N 462.855 6.469 5 1 JKBF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@@H]1/C=C/c1ccc([N+](=O)[O-])cc1 26577407 OWMDBOMMOFHCBR-JDXOBLMBSA-N 462.502 5.479 5 1 JKBF COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(O)c([N+](=O)[O-])c4)C3=C(O)C2)cc1OC 103935105 OFQIYSYTOZQFRP-XGCWNURASA-N 487.512 5.947 5 1 JKBF Cc1ccc2c3c(cc(-c4ccc(OCc5ccccc5)c([N+](=O)[O-])c4O)nc13)-c1ccccc1C2=O 587098204 OKZFTDKBAUDKQL-UHFFFAOYSA-N 488.499 6.614 5 1 JKBF CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105220 SWDGQFSCHOLBEG-FQEVSTJZSA-N 467.437 5.178 5 1 JKBF CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587391339 VMFZGRSSAVDVRN-MUUNZHRXSA-N 486.524 6.189 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 587748337 UQBRFWDEYYEYFX-IZHWHUGBSA-N 498.352 5.303 5 1 JKBF CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)O)C2)cc1[N+](=O)[O-] 13863834 MRWGXKWDMVKCMX-NCUBBLFSSA-N 454.548 5.206 5 1 JKBF C[C@@](C(=O)O[C@H]1C[N+]2(CCc3cc4ccccc4o3)CCC1CC2)(c1ccccc1)N1CCCCC1 73161799 IINAHPOQUFMJIU-PMTRCUQQSA-N 487.664 5.529 5 1 JKBF COC(=O)c1ccc2nc3n(C)c4ccccc4c(NCCCNC(=S)Nc4ccccc4)c-3c2c1 103147001 BLNPZIAMJLCNLO-UHFFFAOYSA-N 497.624 5.407 5 1 JKBF COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143311 AZDWCDUNSULDDX-UHFFFAOYSA-N 464.456 5.839 5 1 JKBF Oc1c(Br)cc(I)c2nc3cc(Cl)c(Cl)cc3nc12 653861616 CBQLCKFOXLRZAD-UHFFFAOYSA-N 469.891 5.163 5 1 JKBF Oc1ccc2c(c1)sc1c3ccccc3n(Cc3ccc(OCCN4CCCCCC4)cc3)c21 28522919 YAQWQZDYWQPKLI-UHFFFAOYSA-N 470.638 7.018 5 1 JKBF NS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1 72120321 KFRALURJXUBCFA-UHFFFAOYSA-N 482.487 5.480 5 1 JKBF Cc1oc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174179 IMZUHRKSDMEWFA-UZUQRXQVSA-N 469.545 6.673 5 1 JKBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1cccc(Cl)c1 587072628 ZRALUFPWBSSNGJ-AWEZNQCLSA-N 495.761 5.696 5 1 JKBF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587150571 MFOXAGPBNHBHGD-UHFFFAOYSA-N 474.370 5.460 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 587574227 DTBMRQGYSIWJQQ-JYFHCDHNSA-N 484.420 5.114 5 1 JKBF COc1ccc(-c2cccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2C)c(OC)c1 587929640 OJPUIGVQWRNLCO-UHFFFAOYSA-N 468.307 5.893 5 1 JKBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2cc(C(C)=O)c([N+](=O)[O-])[nH]2)(C(Cl)(Cl)Cl)N1 962958893 VBTRXINITLLIJQ-NSPYISDASA-N 469.756 5.145 5 1 JKBF CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2[N+](=O)[O-])c1 13827744 XSNYMICPEDEFKS-UHFFFAOYSA-N 465.554 5.548 5 1 JKBF CO[C@@H]1Cc2cc(-c3ccc([N+](=O)[O-])cc3)sc2C2(CCN(Cc3ccccc3)CC2)O1 95554904 XHDOQVPXSMNFMM-QHCPKHFHSA-N 450.560 5.360 5 1 JKBF COc1cccc(CC2CCN(CCCOc3ccc4c(c3)oc(=O)c3ccccc34)CC2)c1 221990240 WOLZDYVNVPOLIK-UHFFFAOYSA-N 457.570 5.678 5 1 JKBF O=C(Nc1sc2c(c1-c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)CCC2)c1ccccc1Cl 587030696 JNKONUPHPRLDEL-UHFFFAOYSA-N 483.893 5.502 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)CC2=O 587470195 JIMNLJXYZDRLLL-RUZDIDTESA-N 469.497 5.812 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c([nH]c5ccccc54)c(NCCCN(C)C)c3c2)cc1 1857638799 VWSMMRBFPAPHQA-MDZDMXLPSA-N 466.654 7.125 5 1 JKBF O=C(O)c1ccc(F)c(NCc2ccc(Sc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)c1 1911584504 ZNTPVWJRAHPVOX-UHFFFAOYSA-N 467.305 6.502 5 1 JKBF CC(=O)Oc1c(-c2ccccc2)n(C(C)=O)c2cc([N+](=O)[O-])c(C(Cl)=Cc3ccccc3)cc12 2356872669 OSXCWSPSRGIUPH-UHFFFAOYSA-N 474.900 6.539 5 1 JKBF O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 71340673 JNJKTGYSCZXDCF-ROTRRZJSSA-N 461.651 6.133 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(C)cc2C)nc2c1ccc1ccccc12 169329808 JHPOKDSOVZQORM-PMERELPUSA-N 454.658 7.607 5 1 JKBF CCOC(=O)Cc1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 587038050 PQPRRSIXMZZPOZ-UHFFFAOYSA-N 490.566 6.005 5 1 JKBF Cc1cc2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] 587142244 PJFCEELRJDOWDE-XOBRGWDASA-N 490.919 5.702 5 1 JKBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Sc3ccccc3)cc2[nH]1 587265470 FHSNZOWOLMNVTI-LRTDBIEQSA-N 465.491 5.065 5 1 JKBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326597 CNMCLGDEODPUOZ-OFNKIYASSA-N 457.841 5.376 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 587572844 AAQVHQIIEFQGNR-DHLKQENFSA-N 459.410 5.175 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)N1 587857493 QTFVOLRDIFMQCM-WLRWDXFRSA-N 487.354 5.496 5 1 JKBF COc1cc(C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)c([N+](=O)[O-])cc1OC 653708459 JTOUAULFWPNXQN-HXUWFJFHSA-N 458.308 5.318 5 1 JKBF O=[N+]([O-])c1ccc(Sc2ncccn2)c([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962711738 MTCOQAQGMZYBLD-ZHRRBRCNSA-N 468.579 5.128 5 1 JKBF CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(O)cc2)NCCc2ccc(O)cc21 963342708 SFBHWUHMYIUHJD-HHHXNRCGSA-N 458.514 5.532 5 1 JKBF O=C(O[C@@H]1C[N+]2(CCCc3ccc(Cl)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857580644 NEAHJXCOGMHPKA-WAVDKVAFSA-N 491.051 5.361 5 1 JKBF COc1ccc([C@H](c2ccc(OCCN(C)C)cc2)c2cc3ccccc3c3ccccc23)cc1 28709328 OYNUVNXFQQDBMD-JGCGQSQUSA-N 461.605 7.122 5 1 JKBF C[N+](C)(CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)Cc1ccc(F)cc1 40602187 FQNWXIKNAFPTTO-UHFFFAOYSA-N 461.548 7.114 5 1 JKBF CCCC[N+]1(C[C@@H]2c3ccccc3CCN2C(=O)[C@@H]2CC(=O)c3ccc(Cl)cc32)CCCC1 209488466 BOXGXKNDLGLNAP-CLJLJLNGSA-N 466.045 5.547 5 1 JKBF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC3 587104762 IJJYWXVPUNSIBI-QGZVFWFLSA-N 451.438 5.731 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 587572852 AAQVHQIIEFQGNR-RDGATRHJSA-N 459.410 5.175 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Br)c2[N+](=O)[O-])N1 587675834 DFFPQWJLQYHEGS-HUTHGQBESA-N 458.125 5.057 5 1 JKBF Nc1ccccc1NC(=O)c1ccc(CSC(=S)N2CCc3cc([N+](=O)[O-])ccc32)cc1 1857652849 UFPPHUXNEBDPOZ-UHFFFAOYSA-N 464.572 5.010 5 1 JKBF O=C(NCC1=C(c2cccc3ccccc23)C[C@@H]2CC[C@H]1N2Cc1ccco1)c1ccc([N+](=O)[O-])cc1 61921155 ZVHRDEKUZOCCFI-MUAVYFROSA-N 493.563 5.962 5 3 JKBF CC(=O)[C@@H]1O[C@@]1(O)/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 13397681 YDOUJCMZGQTKDH-BPNCRRSXSA-N 488.712 8.199 5 1 JKBF endogenous,in-man O=C(c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1)N1CCCCC1 82135522 MHPWBVHBFQCUSZ-UHFFFAOYSA-N 485.466 5.309 5 1 JKBF COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)cc1 103935245 QJURPIXPJYCNBV-JWIGPWBQSA-N 485.496 5.961 5 1 JKBF CC(/C=C/C=C(C)/C=C/[C@@]1(O)[C@@H](C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O 238743551 FDJMTBRSNJXYKT-CSUDYOIQSA-N 464.646 6.837 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2F)N1 587725210 CFYWOTVXJNJYQE-VERVWZFWSA-N 474.305 5.044 5 1 JKBF Cc1sc2c(c1C)CCN[C@]2(CCNc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 963004388 CJHYYEFNGOQUHO-HSZRJFAPSA-N 476.429 6.471 5 1 JKBF COc1cc(O)c2c(c1)CCc1cc(O)c(-c3cc4cccc(O)c4c4c(OC)cc(O)cc34)cc1-2 1772650208 ZETWZYZTZGZVDR-UHFFFAOYSA-N 480.516 6.265 5 1 JKBF C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C 105198088 JWQOCLGOVQYSGG-HHRWBCNNSA-N 485.613 6.811 5 1 JKBF Cc1cc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c2cc(C(F)(F)F)ccc2n1 299864106 LXWDKUKDFRUFNJ-UHFFFAOYSA-N 473.455 5.261 5 1 JKBF O=[N+]([O-])c1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1[N+](=O)[O-] 586998283 HPMATFFDAKVLFT-VURMDHGXSA-N 455.224 5.572 5 1 JKBF COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587417160 JLTNJPWBHNCZJR-WMZHIEFXSA-N 466.287 5.057 5 1 JKBF COc1cccc2cc3c(nc12)[C@@](CCCC1OCC(C)(C)CO1)(c1ccc([N+](=O)[O-])cc1)NCC3 963051342 DNQSITKSPMULCK-MUUNZHRXSA-N 491.588 5.110 5 1 JKBF CCCCNC(=O)c1ccc([C@H]2CC(=O)N(Cc3ccccc3[N+](=O)[O-])c3ccccc3S2)cc1 1857649036 REEZZYJOUMRVAK-RUZDIDTESA-N 489.597 5.895 5 1 JKBF Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Br)cc4)c-3c/c2=N\C(C)C)cn1 95574047 NBSJWKSMTGYVPG-BGABXYSRSA-N 498.428 6.649 5 1 JKBF CC(C)(C)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2n1 587039486 YBMLNZLNRBQFOP-UHFFFAOYSA-N 461.572 6.592 5 1 JKBF Cc1ccc(COc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2Cl)cc1[N+](=O)[O-] 587503887 HFNWPGRRWKOSTQ-NDEPHWFRSA-N 491.971 6.895 5 1 JKBF O=C(O)c1cc2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587968335 ZHVVQSNRNHKLPA-IQUTYRLHSA-N 464.477 5.525 5 1 JKBF O=C([C@H]1Cc2ccccc2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1)C(F)(F)F 962768833 RPSOVNYBYDTKQA-APWZRJJASA-N 495.251 5.352 5 1 JKBF O=C1Cc2cc(-c3ccc4ncc5ccc(=O)n(-c6cccc(C(F)(F)F)c6)c5c4c3)ccc2N1 1857592030 WLHRPFMHTLEVQT-UHFFFAOYSA-N 471.438 5.719 5 1 JKBF COc1cc(OC)c2c(C3CCN(C(=O)OC(C)(C)C)CC3)nc3c(OC)cccc3c2c1 1911574054 IFTPQBHWUQDJRS-UHFFFAOYSA-N 452.551 5.528 5 1 JKBF CC(=O)C[C@@H](O)/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 14685504 IMAVGDVEEYAALY-WQZGWWIISA-N 490.728 7.834 5 1 JKBF endogenous,in-man CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)N=C(C)/C(=C(/O)OCC)[C@@H]1/C=C/c1ccccc1 27523248 QPEKZONCKALHGN-RLQBCMQOSA-N 462.502 5.479 5 1 JKBF O=C1c2ccccc2[C@@](O[C@@H]2CC[C@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 35880579 RTMYOLAVEDNGOT-VRUMLPLGSA-N 478.932 5.035 5 1 JKBF COc1cc(-c2ccc3c(c2)Nc2ccc(-c4cccc(N)c4)cc2NC3=O)ccc1[N+](=O)[O-] 71788688 QDQNUVLKBDLZMW-UHFFFAOYSA-N 452.470 5.829 5 1 JKBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCN(c2ccccc2)CN1C3 72112924 JXJIRFNHRZYNGM-HXUWFJFHSA-N 454.570 5.613 5 1 JKBF Cc1cc2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc2cc1[N+](=O)[O-] 587130913 ZKTMLQLRVALEHX-UHFFFAOYSA-N 492.490 5.096 5 1 JKBF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1COc1cccc([N+](=O)[O-])c1 587579116 YSNXDAWHAQJBMC-NAKRPHOHSA-N 499.475 5.591 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 587751447 MKOSHQHFCRPJBE-AMXDTQDGSA-N 458.331 5.556 5 1 JKBF O=[N+]([O-])c1cc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc(C(F)(F)F)c1 1772650659 IRTSMQJXKGXOPY-UHFFFAOYSA-N 450.225 6.263 5 1 JKBF O=C(Nc1ccc2cc3ccc(NC(=O)c4ccc(Cl)cc4)cc3nc2c1)c1ccc(Cl)cc1 28712665 BIIYPHNKQYUBBO-UHFFFAOYSA-N 486.358 7.199 5 1 JKBF CC(C)(C)c1ccc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@@H]2CCCCN2)cc1 29466570 IEQJCAJJNAKNSJ-SFHVURJKSA-N 483.996 6.378 5 1 JKBF O=C1c2ccccc2[C@@](O[C@H]2CC[C@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 35880581 RTMYOLAVEDNGOT-MCEYFSPLSA-N 478.932 5.035 5 1 JKBF Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1C(=O)N1CCCC1 40935548 VPACZZZMQJDAOL-UHFFFAOYSA-N 472.467 5.526 5 1 JKBF CCCCCc1nc(-c2cnc(NCc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163812 YYRPPCYTYPBNMW-UHFFFAOYSA-N 457.534 6.360 5 1 JKBF O=[N+]([O-])c1cccc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)c1 144164759 KFOZHMKOWWOQLK-UHFFFAOYSA-N 470.491 6.119 5 1 JKBF O=[N+]([O-])c1cnc(-c2ccc(F)cc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1 473153327 AJMATZYMXUCOIG-UHFFFAOYSA-N 451.457 6.590 5 1 JKBF CC[C@]1(C)C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586885959 APLBAAFEELTBAV-UZTOHYMASA-N 454.482 5.749 5 1 JKBF CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 587047081 ANCXGFIRVXPZIG-GQCTYLIASA-N 450.676 5.234 5 1 JKBF CC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097496 JLEMGEPWSHEOCH-OAQYLSRUSA-N 481.464 5.486 5 1 JKBF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 587658106 GDSDJLXXUFGYGD-UHFFFAOYSA-N 474.326 5.027 5 1 JKBF COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587749511 YXTGNCRWFIANLA-OYLFLEFRSA-N 485.353 5.526 5 1 JKBF O=C(CN1[CH]C=Cc2c1ccc1ccccc21)c1ccc(I)c([N+](=O)[O-])c1 2356811237 ORXUGRFFMJXDDF-UHFFFAOYSA-N 469.258 5.230 5 1 JKBF CC(=O)N(C(C)=O)c1cc([N+](=O)[O-])c(C=Cc2ccccc2)c([N+](=O)[O-])c1C=Cc1ccccc1 2356864130 BEVKXUSIODDZJU-UHFFFAOYSA-N 471.469 5.743 5 1 JKBF CN(C)c1ccc2c(-c3cc(C(=O)O)ccc3C(=O)O)c3ccc4c(F)c(=O)ccc4c3oc2c1 26742522 XZUAZUGBYYUEAV-UHFFFAOYSA-N 471.440 5.368 5 1 JKBF c1cc2ccc3cc4cc5ccc6ccc7ccc8cc9cc%10ccc1c1c2c3c2c4c3c5c6c7c8c3c9c2c%101 64624958 WEDMWEAVHLDAAH-UHFFFAOYSA-N 496.568 11.590 5 1 JKBF in-vitro CN(C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1 82148755 MFQQGELEZXWIEW-UHFFFAOYSA-N 477.540 5.250 5 1 JKBF CCOC(=O)c1c(C(=O)Nc2ccccc2F)nn(-c2cccc([N+](=O)[O-])c2)c1-c1ccccc1 169312892 XALINHYSYVVQHR-UHFFFAOYSA-N 474.448 5.016 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc(Br)cnc3[nH]2)ccc1Sc1nc2ccccc2s1 587034486 GQDUVXMMJUUFSU-UHFFFAOYSA-N 484.360 6.057 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1 587692921 IHNKEHWSMROVIA-WVDJIFEKSA-N 465.706 6.033 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2ccc3c(c2)oc(=O)c2ccccc23)N1 587842131 PGYNIRRAQITYIK-PWECECGKSA-N 482.349 5.676 5 1 JKBF C[C@@]1(c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c2ccsc2CCN1C(N)=O 962717719 VASDHCQJYDGCQF-OAQYLSRUSA-N 477.464 5.668 5 1 JKBF CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccn12 35191003 RVVIXDJHAIBRGQ-UHFFFAOYSA-N 486.572 6.755 5 1 JKBF COc1ccc(-c2ccc(-c3nn4c(Cc5ccc(SC)cc5)nnc4s3)o2)c([N+](=O)[O-])c1 40421656 ZVOSHCPWVRUTQH-UHFFFAOYSA-N 479.543 5.342 5 1 JKBF O=C(O)c1nc(Nc2cc(Oc3ccccc3Br)cc([N+](=O)[O-])c2)c2ccccc2n1 299821021 FJIVRDWLMPAJJB-UHFFFAOYSA-N 481.262 5.535 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 586948811 OYYFYJSZENVLRP-UHFFFAOYSA-N 492.435 5.146 5 1 JKBF Cc1ccc2c3c(cc(-c4cc(Br)cc([N+](=O)[O-])c4O)nc13)-c1ccccc1C2=O 586994101 UJDFTBXNWPLJMQ-UHFFFAOYSA-N 461.271 5.798 5 1 JKBF CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 587047082 ANCXGFIRVXPZIG-XQRVVYSFSA-N 450.676 5.234 5 1 JKBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3ccccc3c3ccccc3c2[nH]1 587266121 IXUWJHQUMZTREQ-ZSEKCTLFSA-N 457.446 5.220 5 1 JKBF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(F)ccc1[N+](=O)[O-] 587506463 SWHMOWNYHGOQTP-VWLOTQADSA-N 477.488 5.907 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 587570823 MBSGKFHKAGXSJS-JYFHCDHNSA-N 491.858 5.998 5 1 JKBF O=C(c1ccccc1)c1ccc2c(c1)N=CCC(c1c(O)c3c(=O)oc4ccccc4c3oc1=O)=N2 1857565276 XIEGXRIVEOCFHD-UHFFFAOYSA-N 476.444 5.063 5 1 JKBF Cc1ccc2oc3nc(C)c([C@@]4(C)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)cc3c(=O)c2c1 587343518 CKPZBNZYPBNWLD-FREGXXQWSA-N 495.506 6.077 5 1 JKBF COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587577064 QXCCYFXMYNLRDG-LBNVMWSVSA-N 483.476 5.409 5 1 JKBF COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2[N+](=O)[O-])cc1 587623513 UOHPLRITHPTWKN-UHFFFAOYSA-N 463.291 6.058 5 1 JKBF Cc1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 587747485 OFCCBFRSDNGBHG-FATZIPQQSA-N 471.326 6.221 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@H]3c3ccc(C)cc3)c2c1 1857641963 KCGSXWFMDOFCFB-MHZLTWQESA-N 492.044 5.857 5 1 JKBF CC1(C)O[C@H](C(=O)Nc2cc3c4ccccc4ccc3c3ccccc23)[C@@H](C(=O)N2CCCCC2)O1 6041709 BTAWMAVYABIPDI-SVBPBHIXSA-N 482.580 5.617 5 1 JKBF CCCN(CCc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1)[C@H]1CCc2c(O)cccc2C1 13446574 GAJLCVIQCPUCOK-NRFANRHFSA-N 487.560 5.392 5 1 JKBF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1 82147903 IXHPCPRKGFPKOP-KSFYIVLOSA-N 479.968 5.626 5 1 JKBF Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174391 KIONJUREMMXCEN-UHFFFAOYSA-N 473.602 6.702 5 1 JKBF C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)/C=C/c5ccc([N+](=O)[O-])cc5)CCC[C@@]4(C)[C@@H]3CC1)C2 474609813 VOFMPSQGPXGWPI-QTJJAKFESA-N 463.618 7.120 5 1 JKBF Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587117718 IPXYCMNFACDEFS-SECBINFHSA-N 477.472 5.194 5 1 JKBF O=C(O)c1cc2[nH]c(-c3ccc(F)c(F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587144832 CKGXOVPPNSOQGP-UHFFFAOYSA-N 484.414 5.790 5 1 JKBF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(C2CC2)n1 587231566 BVQVQOAAFUSTDZ-UHFFFAOYSA-N 466.545 5.623 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc13)CC2=O 587469814 GFKWZXYFWDEWCY-SANMLTNESA-N 470.525 6.271 5 1 JKBF COc1ccc([C@@H](c2ccc(OCCN3CCCC3)cc2)c2cc3ccccc3c3ccccc23)cc1 28709334 LYBLTSFSNNWRDY-UMSFTDKQSA-N 487.643 7.656 5 1 JKBF CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 82193356 MGFVHKLHIWYKLO-APWZRJJASA-N 464.657 5.585 5 1 JKBF COc1ccc2nc(-c3ccc(Cl)cc3)c3nc(C)n(-c4ccccc4OC)c(=O)c3c2c1 98084435 PZTWPEZYMXXKMC-UHFFFAOYSA-N 457.917 5.580 5 1 JKBF O=C(CCCCCCOc1ccc(-c2cc3c(NCc4ccccc4)ncnc3[nH]2)cc1)NO 138907336 RPXMTNZWJALSGT-UHFFFAOYSA-N 459.550 5.072 5 1 JKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)c1 587269336 BEQWLJAEZWVAAA-UHFFFAOYSA-N 463.213 5.981 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 587333020 HEWPRHGLMVQVJN-XCZPVHLTSA-N 469.468 5.937 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(C(=O)c3cccc4cc5ccccc5c2c34)[C@H]1c1ccc(F)cc1 587350732 HZLGXDILRYJJNU-FREGXXQWSA-N 460.460 6.288 5 1 JKBF C[C@@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611712 JKBCMEBFZHSRAV-DHLKQENFSA-N 459.479 5.906 5 1 JKBF CCSc1ccc([N+](=O)[O-])cc1[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963818182 RZMBDGADXNUOJV-RUZDIDTESA-N 459.571 6.002 5 1 JKBF C[N+](C)(C)c1ccc(C(=O)OCCCCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1 26997023 ITTQCGGBRDIXDK-UHFFFAOYSA-N 466.602 6.334 5 1 JKBF CC(C)C/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 27648888 CLTXSNDUHPFTGG-QFMPWRQOSA-N 487.434 7.737 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135367 MNYDOQONUGJWBV-UHFFFAOYSA-N 459.550 5.013 5 1 JKBF c1ccc(Cn2c(SCc3nc4cc5nc6ccccc6nc5cc4[nH]3)nnc2C2CC2)cc1 586966026 BLAIGXBGLONNQT-UHFFFAOYSA-N 463.570 5.469 5 1 JKBF CCCCCCOc1ccc(Br)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 586982083 PASXHIQAYHNRDC-UHFFFAOYSA-N 475.390 7.048 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586998725 OQSQEGZNQALJTP-SOFGYWHQSA-N 489.123 6.427 5 1 JKBF Cc1ccc2c3c(cc(-c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)nc13)-c1ccccc1C2=O 587099113 YBIQEHNKAOMKLI-UHFFFAOYSA-N 451.482 5.166 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(C)c1[N+](=O)[O-] 587264159 CHHNHKBZWHNXSM-UHFFFAOYSA-N 483.372 6.037 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC1 587269748 NWLSXSJYTBDMJE-UHFFFAOYSA-N 486.372 5.529 5 1 JKBF COC(=O)c1cc(Br)c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1 587272525 UMOBKOKXZULHCI-UHFFFAOYSA-N 468.263 5.480 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccccc3C(=O)OC)c([N+](=O)[O-])c1)CC2=O 587472854 NIZNDQROTTYBKI-XMMPIXPASA-N 477.469 5.538 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)N1 587743286 AHJQEMMRASSFBR-MCMMXHMISA-N 485.309 5.339 5 1 JKBF CCC[C@H](CC1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782102 PQGVTTWNUFQLRC-JOCHJYFZSA-N 492.623 7.021 5 1 JKBF c1ccc(COc2cccc(-c3ccc(Cc4nc5cc6nc7ccccc7nc6cc5[nH]4)cc3)c2)cc1 587784624 SPAQZYUJJVOXPK-UHFFFAOYSA-N 492.582 7.496 5 1 JKBF O=[N+]([O-])c1ccc(CSc2nc(O)c3c(n2)N=C2CCCC(O)=C2[C@@H]3c2ccc(O)cc2)cc1 17155945 POQMUDQDRRUEBB-IBGZPJMESA-N 476.514 5.302 5 1 JKBF C=COCCCCCCCCCCCCCCO[P@@](=O)(O)OCC[N+]1(C)CCOCC1 26578817 JPBGFCOGCSLRPU-UHFFFAOYSA-O 464.604 5.438 5 1 JKBF O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1C(F)(F)F 96269770 GHXCSPGXRVESNT-UHFFFAOYSA-N 474.442 6.091 5 1 JKBF C[N+]1(Cc2ccc(-c3ccccc3)cc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 100375587 QDCILXFPWMMNQY-HJDZWVMESA-N 456.606 5.313 5 1 JKBF in-man CCCCCCOCCC12C[C@H]3C[C@H](C1)CC(CCO[P@@](=O)(O)OCC[N+](C)(C)C)(C3)C2 102155676 APEAETIGNAGTNG-ARIYZQMHSA-O 474.643 5.790 5 1 JKBF CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]12 169301941 GZUGYMKFGRQTQQ-ZLNRFVROSA-N 488.598 5.572 5 1 JKBF COC(=O)c1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 587109481 LKKZIYCZTKRNHA-UHFFFAOYSA-N 488.397 5.750 5 1 JKBF O=[N+]([O-])c1ccc(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c([N+](=O)[O-])c1 587265078 SELLENIOYVKAST-UHFFFAOYSA-N 483.278 5.312 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)c(C)c(C)c2[nH]1 587265321 WHUPAJZCYYRXMR-GFCCVEGCSA-N 462.300 5.202 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)cc1 587272150 KVDPOOCYQYDVOJ-UHFFFAOYSA-N 455.224 5.601 5 1 JKBF C[C@]1(c2cc(Br)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322619 NOFAXIXQWQSKEK-IFMALSPDSA-N 472.266 5.476 5 1 JKBF C[C@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344633 XHKXOTCQEOHASX-IXCJQBJRSA-N 485.467 6.506 5 1 JKBF C[C@@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374471 KMZNANBCFCTSPS-AHWVRZQESA-N 475.497 6.442 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1SCc1ccco1 587615525 XXAPBTPSBQBALD-RCZVLFRGSA-N 475.478 5.889 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Cl)c3)c(C)c2c1 587618816 WECHBIULYQJWCU-UHFFFAOYSA-N 471.922 5.514 5 1 JKBF C[C@@H](CC(=O)O)[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587691353 DWDHYJATGAKPOP-GLXKHTEVSA-N 485.737 5.038 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587734350 QXGRBAKCTMZBEM-IPQOISQHSA-N 491.357 6.410 5 1 JKBF O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)c1F 587943519 GSKWFLBDBUZOPQ-UHFFFAOYSA-N 466.396 5.099 5 1 JKBF O=C(NC1CC1)c1ccc([C@@H]2CC(=O)N(Cc3ccccc3[N+](=O)[O-])c3ccccc3S2)cc1 1857654324 ZSHYVKVCDONRPD-DEOSSOPVSA-N 473.554 5.257 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2cccc(Br)c2c2cc(C(F)(F)F)ccc12 169339347 FZLWCIUGDPRHJK-HSZRJFAPSA-N 496.411 7.710 5 1 JKBF CCCn1cnc2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc(Br)c21 587003853 NNOHSNYQIUPCPS-UHFFFAOYSA-N 457.335 5.849 5 1 JKBF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587166292 WXKMBNJEUFPTBO-UHFFFAOYSA-N 483.550 7.346 5 1 JKBF C[C@@]1(c2cccc(Br)c2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319720 CUDRNGLKNDKLMU-KNQAVFIVSA-N 472.266 5.476 5 1 JKBF COc1cccc(-c2cc(-c3cc(Br)cc([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 587357724 KTUJRYUJPHPSRO-UHFFFAOYSA-N 475.298 6.994 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(C)cc3[N+](=O)[O-])c2c1 587621624 XKLZWVHPKQGGJZ-UHFFFAOYSA-N 496.501 5.078 5 1 JKBF CCn1cc([N+](=O)[O-])cc1[C@@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 587677970 BLUIAVOGDUZCAW-JDNHERCYSA-N 499.595 5.466 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 587694603 MJRZNNHWSJSBTP-WVDJIFEKSA-N 465.706 6.033 5 1 JKBF O=[N+]([O-])c1ccc(Sc2ncccn2)c([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962711730 MTCOQAQGMZYBLD-KSFYIVLOSA-N 468.579 5.128 5 1 JKBF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(C)c1ccc2cc3ccccc3cc2c1 963831780 JIEVUMYYNUNSCM-ZUKKLESISA-N 495.619 7.201 5 1 JKBF Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc([N+](=O)[O-])cc1 13794359 PRABHQLYITZBKX-UHFFFAOYSA-N 474.348 5.193 5 1 JKBF Nn1c(-c2ccccc2)nc2c(-c3ccc(Br)cc3)nc3ccc(Cl)cc3c2c1=O 28708400 WAOMNNIUSMFCQU-UHFFFAOYSA-N 477.749 5.408 5 1 JKBF CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 29394350 KCXHYGGBNFDKMD-ZEQRLZLVSA-N 494.544 6.613 5 1 JKBF COc1c(OC(C)C)cc2oc3cc(OC(C)C)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 40872702 ULAWVIJYOOSDRZ-UHFFFAOYSA-N 494.628 7.252 5 1 JKBF biogenic Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163852 KYGNNGZDLVZZGE-UHFFFAOYSA-N 477.524 6.603 5 1 JKBF COc1ccc2c(ccc3c(-c4c(O)cc(OC)c5c4CCc4cc(O)ccc4-5)c(O)cc(OC)c32)c1 473130943 NCJFUMIYGKGKEA-UHFFFAOYSA-N 494.543 6.568 5 1 JKBF CCCCCOc1cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2cc1Br 586968254 AAYHLHHMWUDTCD-UHFFFAOYSA-N 492.439 7.218 5 1 JKBF CC(C)n1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(Br)c1Br 587005338 UGYQHZZQGRPSHW-UHFFFAOYSA-N 485.183 6.234 5 1 JKBF Cc1onc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587078783 BGYWKMZVZUQOEU-UHFFFAOYSA-N 461.187 5.005 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2=O 587471731 MTIUDKIOUBUMMP-QFIPXVFZSA-N 453.491 6.250 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 587576246 NQJIYNAGUKTYPZ-LSYYVWMOSA-N 493.475 5.277 5 1 JKBF C[C@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617830 LBTDEMWZFVLSKE-AUSIDOKSSA-N 480.523 5.423 5 1 JKBF O=[N+]([O-])c1c(F)cc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cc1F 653709720 SKBTVCKADAVOCH-UHFFFAOYSA-N 463.318 6.401 5 1 JKBF C[N+]1(Cc2ccccc2)[C@H]2CC[C@@H]1CC(N1CC(c3ccccc3)(c3ccccc3)NC1=O)C2 34802320 LTWQRFZUJAVEAS-LSQCHEHLSA-O 452.622 5.296 5 1 JKBF Cc1cnc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2cccc([N+](=O)[O-])c2)o1 82163399 LBHATJWIABHOJX-UHFFFAOYSA-N 455.396 5.646 5 1 JKBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Sc3ccccc3)cc2[nH]1 587265474 FHSNZOWOLMNVTI-ZSEKCTLFSA-N 465.491 5.065 5 1 JKBF COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587788262 UEYNTTIZMHXROQ-UHFFFAOYSA-N 499.863 5.099 5 1 JKBF CSc1ccc(/C=C/c2ccc3c(NCCN4CCCC4)c4[nH]c5ccccc5c4[n+](C)c3c2)cc1 1857538075 QTBCSFNVIMHLJL-MDZDMXLPSA-O 493.700 6.699 5 1 JKBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccc(F)cc1 4214492 HXUXCHWTBLNNFX-DHIUTWEWSA-N 475.948 5.760 5 1 JKBF Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 72118340 HPVIFQGLJKBEBZ-RUZDIDTESA-N 469.472 5.560 5 1 JKBF O=C(NCCCNc1nc2ccc([N+](=O)[O-])cc2c2[nH]c3ccccc3c12)Nc1ccccc1 169348186 CSXMUXIHUBJPSW-UHFFFAOYSA-N 454.490 5.401 5 1 JKBF O=C(Nc1sc2c(c1-c1nc3c4cccnc4c4ncccc4c3[nH]1)CCC2)c1ccccc1Cl 587030558 HNZBTLIJAKIJAV-UHFFFAOYSA-N 495.995 6.782 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1Cl 587077692 XHRDZLLJLBYVBB-PTNGSMBKSA-N 487.346 7.480 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3cc(C)ccc3C(C)C)c([N+](=O)[O-])c1)CC2=O 587473178 QVMNVUCCKVWETQ-AREMUKBSSA-N 475.541 7.184 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3c(C(=O)OC)cccc3[N+](=O)[O-])cc1)CC2=O 587473325 RXDBNIIXJRJSRO-RUZDIDTESA-N 491.496 5.325 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])N1 587747604 OZPDVJJLNYSIBH-WHEQGISXSA-N 457.299 5.912 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccco2)(c2cccc([N+](=O)[O-])c2)N1 587747995 RGVDONHZXYMDRD-FIYBLIILSA-N 457.299 5.581 5 1 JKBF CCC1(CC)C=Cc2cc(OCc3ccc([N+](=O)[O-])cc3)c(OCc3ccc([N+](=O)[O-])cc3)cc2O1 1772627779 JGLKZSDPLBGKQN-UHFFFAOYSA-N 490.512 6.625 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)cc2)nc1C(F)(F)F 587119102 VTWLOWAIFQDBAR-UHFFFAOYSA-N 479.418 6.194 5 1 JKBF FC(F)(F)c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(I)c1 587179077 PZJRFADRSNZBJE-UHFFFAOYSA-N 490.226 5.950 5 1 JKBF COC(=O)Nc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c([N+](=O)[O-])c1 587362225 FLRTYVTWQCLBIE-UHFFFAOYSA-N 469.453 6.410 5 1 JKBF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Cc2ccccc2[N+](=O)[O-])CC3)c1 587362692 JNNVBQZUNGSQMS-IBGZPJMESA-N 450.494 6.837 5 1 JKBF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1[N+](=O)[O-] 587510671 CACYQWBBQZXHFN-SANMLTNESA-N 459.498 5.768 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1 587572963 UGZBKFLFUDTDCW-JYFHCDHNSA-N 489.480 6.294 5 1 JKBF CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587644855 DTYOINXCGOAGHE-BHVWNTRMSA-N 474.567 9.003 5 1 JKBF O=C(C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC2(CC2)Cc2ccc(Br)cc21)Nc1ccccc1 961613948 JCCUAAPQXCQKHS-VWLOTQADSA-N 492.373 5.308 5 1 JKBF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 963233170 TVOJYAXEXQAVII-DHLKQENFSA-N 471.538 5.124 5 1 JKBF Cc1ccc(Sc2cc(Cl)cn3c([N+](=O)[O-])c(CS(=O)(=O)c4ccccc4)nc23)cc1 1857534432 KRJLDBMFLZBDCF-UHFFFAOYSA-N 473.963 5.329 5 1 JKBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N([C@@H]2CCCC[C@@H]2C2CCCCC2)C1 40764247 WDHRTPQZLVZIPX-XOPMNVLASA-N 496.695 6.939 5 1 JKBF CC1(C)C=Cc2cc(CN(c3ccc(F)cc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2O1 84690411 FKGUPMRAKVXQCK-UHFFFAOYSA-N 468.506 5.314 5 1 JKBF COc1ccc(Cl)cc1C(=O)Nc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3[N+](=O)[O-])C2)cc1 96934175 GGSSBGLUADXMII-HSZRJFAPSA-N 492.919 5.207 5 1 JKBF O=C(O)c1cc2[nH]c(-c3occ4c3CCC4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586905451 PIUCPDLHHAJRJA-UHFFFAOYSA-N 478.460 5.594 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CC1 587270183 RPBHEIYHKAVCRZ-UHFFFAOYSA-N 452.820 5.163 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 587573760 XHLVBBUDNJSVSC-ZEQKJWHPSA-N 457.413 5.345 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)N1 587697728 TVYSYJFNKUBGSU-PRWKNARSSA-N 464.722 5.564 5 1 JKBF O=[N+]([O-])c1ccc(-c2cn([C@@H](CN3CCCCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 653856976 CZXRUHJJJFXKFT-VWLOTQADSA-N 483.597 6.297 5 1 JKBF COc1cc2c(cc1OC)[C@H](c1nc3ccccc3c3ncccc13)N(C(=O)c1ccccc1N)CC2 963161157 XQELLLZHYBSTJZ-GDLZYMKVSA-N 490.563 5.170 5 1 JKBF O=[N+]([O-])c1ccc(O[C@H](CCN2CCN(c3noc4ccccc34)CC2)c2ccccc2)cc1 13530558 CAEVTCNGVAGFQK-XMMPIXPASA-N 458.518 5.068 5 1 JKBF Cc1ccc(CCNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82150121 OSYFOCOHBXSFOY-UHFFFAOYSA-N 489.620 5.769 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 82174270 PGQJGLAUBDVNON-UHFFFAOYSA-N 475.574 5.943 5 1 JKBF CC(=O)c1ccc(Nc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3nc2Nc2cccc(C(C)=O)c2)cc1 474604835 FJVCJKGNYFOADJ-UHFFFAOYSA-N 486.444 5.339 5 1 JKBF COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(Cl)cc([N+](=O)[O-])c5F)[nH]c4c3)o2)cc1 587139351 IAPZQAZINVFZLO-UHFFFAOYSA-N 465.828 5.656 5 1 JKBF CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587221380 FOQIWWQUPULJSX-XMMPIXPASA-N 499.571 6.272 5 1 JKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 587269047 IQFOWPWXMLDWHY-UHFFFAOYSA-N 493.361 6.080 5 1 JKBF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC3)c1 587362781 NGFZTNDQALOQQY-HXUWFJFHSA-N 495.491 6.941 5 1 JKBF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C)cc1[N+](=O)[O-] 587512513 YLAUQQFBCIPOBG-HHHXNRCGSA-N 473.525 6.076 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3ccc4cccc5ccc2c3c45)N1 587814301 GUAMPDPKDHJJFO-YVORESIASA-N 458.374 7.283 5 1 JKBF COC(=O)N[C@@H](c1cccc2c([N+](=O)[O-])cccc12)P(=O)(Oc1ccccc1)Oc1ccccc1 1857550039 APIYXNODBRTNRP-XMMPIXPASA-N 492.424 6.454 5 1 JKBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCCCCN=c1c2c([nH]c3ccccc13)CCCC2 1857588231 KLTSFNXPVWLHSI-OBGWFSINSA-N 472.589 5.246 5 1 JKBF COc1cc(-c2c3nc(cc4ccc(cc5nc(cc6ccc2[nH]6)C=C5)[nH]4)C=C3)cc(OC)c1OC 35985340 HPZMZQYJADMXGI-UHFFFAOYSA-N 476.536 6.348 5 1 JKBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135083 QWMHFCSQWINQMN-AEFFLSMTSA-N 463.538 5.216 5 1 JKBF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 82148397 DBLCKTBFCVBBCL-SBUREZEXSA-N 493.995 5.668 5 1 JKBF Clc1cc(NCCN2CCCC2)c2cc3c(nc2c1)c1ccccc1n3CCN1CCCC1 299860741 HAZXYRGHMMGPLW-UHFFFAOYSA-N 462.041 5.600 5 1 JKBF O=c1c2ccc(Cl)cc2sc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccc3c12 473168095 KFBBWJFOIXEHEI-UHFFFAOYSA-N 472.013 5.939 5 1 JKBF Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] 586987141 KBCXGHYDJZQRHQ-UHFFFAOYSA-N 497.507 6.550 5 1 JKBF Cc1cc(Br)cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 587054984 NPXZWHMUPUBTGB-INIZCTEOSA-N 465.735 5.323 5 1 JKBF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c(F)c2)c1 587138266 FWWQHWPTFZHOSU-UHFFFAOYSA-N 450.444 7.180 5 1 JKBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326599 CNMCLGDEODPUOZ-REWPJTCUSA-N 457.841 5.376 5 1 JKBF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc([N+](=O)[O-])c21 587342613 OJSREPOXXVRWKO-LSYYVWMOSA-N 481.435 5.287 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c1)CC2=O 587459330 CNNMOYGCYXRBNW-HSZRJFAPSA-N 453.878 6.405 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c1)CC2=O 587492174 NKGHJGCUSGXTAC-QFIPXVFZSA-N 469.946 6.764 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 587615322 XDSRZAHKOLKZOX-JYFHCDHNSA-N 477.538 6.428 5 1 JKBF O=[N+]([O-])c1ccc(C[C@@]2(c3ccc4ccccc4c3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963096764 GLMFGFNCOHJVER-XRKRLSELSA-N 452.529 6.394 5 1 JKBF CCO[C@H]1CCCN1c1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc23)c(F)c1 1772627519 UXBJXOYOPUSJBI-QHCPKHFHSA-N 469.524 5.414 5 1 JKBF COc1ccc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)cc1O 13557005 POCZBHBFCIWCCV-UHFFFAOYSA-N 499.475 5.162 5 1 JKBF biogenic Cc1c(C(=O)c2ccc3ccc4cccc5ccc2c3c45)c2ccccc2n1CCN1CCOCC1 13742611 RNHQSUBVLFRPTA-UHFFFAOYSA-N 472.588 6.410 5 1 JKBF Cc1cc(N(C)Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c([N+](=O)[O-])cc1F 587137392 YBOQUGPROPJSQN-UHFFFAOYSA-N 451.296 5.105 5 1 JKBF Cc1ccc2oc3nc(C)c([C@@]4(C)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)cc3c(=O)c2c1 587343526 CKPZBNZYPBNWLD-PDDLMNHVSA-N 495.506 6.077 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 587550228 VTJFIBVOYXFYKA-OZXSUGGESA-N 489.867 6.449 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc([N+](=O)[O-])cc1 587575686 KFNVWSOSGSIVAQ-SHQCIBLASA-N 469.449 5.582 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1SCc1ccco1 587615527 XXAPBTPSBQBALD-WIOPSUGQSA-N 475.478 5.889 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(N2CCCCC2)ccc1[N+](=O)[O-] 587860557 WUWXUZJIRLHXMR-UHFFFAOYSA-N 489.359 5.843 5 1 JKBF O=C(O[C@@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857573036 YRSAORSZRHRWKF-FYLLWHEGSA-N 470.633 5.098 5 1 JKBF C[C@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 4051534 HXYVSDQXRKCJSK-RUGFAHKUSA-N 467.884 5.357 5 1 JKBF CN(C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1 82148523 AQEYKVBEESXMOT-UHFFFAOYSA-N 451.571 5.449 5 1 JKBF Cc1ccc2oc(=O)c(C(c3ccc([N+](=O)[O-])cc3)c3c(O)c4cc(C)ccc4oc3=O)c(O)c2c1 169341241 YWRVRCZXADXFFH-UHFFFAOYSA-N 485.448 5.016 5 1 JKBF Brc1ccc([C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)N2CCCC2)cc1 586985676 YUQCTDLMVDVNPN-QHCPKHFHSA-N 458.363 5.607 5 1 JKBF CCOC(=O)CCCCC[C@@]1(c2ccc([N+](=O)[O-])cc2)c2ccsc2CCN1Cc1ccco1 962714486 WDNYSOSYXLVNRA-AREMUKBSSA-N 482.602 6.065 5 1 JKBF CCN(CC)CCN=c1c2ccccc2n(C)c2c1oc1ccc(OCC3CC[N+](C)(C)CC3)cc12 1772596772 JGIOSHLYXLYXBQ-UHFFFAOYSA-N 489.684 5.185 5 1 JKBF C[C@@H](c1ccccc1)c1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1-c1ccc(Cl)cc1 1857533713 OSOFNSYTTLDIOI-INIZCTEOSA-N 470.916 6.070 5 1 JKBF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135566 PBKCZZUFBJFIND-IAGOWNOFSA-N 479.968 5.435 5 1 JKBF O=C1C[C@H](c2ccc(Br)cc2)Sc2ccccc2N1Cc1ccccc1[N+](=O)[O-] 95590193 ROPUPNVYSHLJKL-OAQYLSRUSA-N 469.360 6.128 5 1 JKBF CC(C)(C)c1ccc2c(c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)[C@@]2(O)c1ccc(Cl)cc1 117272508 SOIXWRKFMCXOJY-RUZDIDTESA-N 450.922 5.395 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@@H]2CCCC[C@@H]21 587026985 ODJSYNKRJXKKEU-LQGLAIQGSA-N 465.622 7.006 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587058002 ZERKPIKFSCQYAJ-OAHLLOKOSA-N 458.799 5.410 5 1 JKBF Cc1onc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)c1COc1ccccc1Cl 587063575 PQXLSHIYCNLHTB-UHFFFAOYSA-N 463.675 5.429 5 1 JKBF O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1 587117874 HHFUWGSSENYLKU-UHFFFAOYSA-N 491.429 5.633 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1 587135810 OWGICKQKIMZKOE-UHFFFAOYSA-N 460.690 6.669 5 1 JKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)o1 587265188 POFGNTGMDRPERY-UHFFFAOYSA-N 463.085 5.923 5 1 JKBF Cc1c([N+](=O)[O-])cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1[N+](=O)[O-] 587335373 LGZSXMNOVOQEBN-XUZZJYLKSA-N 466.421 5.239 5 1 JKBF C[C@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374474 KMZNANBCFCTSPS-AZGAKELHSA-N 475.497 6.442 5 1 JKBF Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587540458 AITFLANBBQLZPK-SQHAQQRYSA-N 487.895 6.168 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 587574231 DTBMRQGYSIWJQQ-ZEQKJWHPSA-N 484.420 5.114 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 587720534 SDAAUKHQIOVPHP-XMHCIUCPSA-N 459.290 5.462 5 1 JKBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587749175 XRXGUHWIUAVYGT-FIKIJFGZSA-N 461.287 5.389 5 1 JKBF CCOc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(OCC)cc4)c-3c/c2=N\CCO)cc1 27640767 RIRXVIYNFYJYDU-GKPLWNPISA-N 494.595 5.564 5 1 JKBF CCc1c(Cc2c(Cl)cccc2Cl)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O 28862811 KHZXDLVFVJJMPP-UHFFFAOYSA-N 450.347 5.430 5 1 JKBF CCOC(=O)C[C@@H](C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCO[N+](=O)[O-] 29123240 YUCHCOUXRTYSHX-QHCPKHFHSA-N 489.674 5.227 5 1 JKBF CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82224942 VCRDUNZKJQOUFN-BGYRXZFFSA-N 467.614 5.288 5 1 JKBF O=C1c2ccccc2[C@](O[C@H]2CC[C@H](O)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 101405145 DUVWOXDCHCLFLA-QSEAXJEQSA-N 492.959 5.425 5 1 JKBF O=C1COc2cc3[nH]c(-c4ccc(Sc5nc6ccccc6s5)c([N+](=O)[O-])c4)nc3cc2N1 587037435 ITHFTEWRZRZPOO-UHFFFAOYSA-N 475.511 5.230 5 1 JKBF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1[N+](=O)[O-] 587510669 CACYQWBBQZXHFN-AREMUKBSSA-N 459.498 5.768 5 1 JKBF O=[N+]([O-])c1ccc2c(CCN3CC=C(n4c(O)nc5ccccc54)CC3)c(-c3ccc(F)cc3)[nH]c2c1 587645721 IPLPYSYGMQJWDU-UHFFFAOYSA-N 497.530 5.727 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 587745475 HHTMQTDQASZCJB-JBEBIEQOSA-N 495.352 5.393 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 587842412 FOMIOYKFJVDJHH-PSLXWICFSA-N 487.394 6.412 5 1 JKBF COc1cc(O)ccc1-c1nnc(-c2ccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)s3)cc2)o1 1857585990 PDMDRKQRTBIPCV-UHFFFAOYSA-N 473.470 5.212 5 1 JKBF O=[N+]([O-])c1cccc(-c2nc(NCc3ccccc3F)ncc2-c2ncc(-c3ccccc3)s2)c1 82163827 WFZVCIJVRHWAHV-UHFFFAOYSA-N 483.528 6.594 5 1 JKBF Cn1c2nc3ccccc3c-2c(NCCCNC(=O)Nc2ccccc2)c2cc(Cl)ccc21 103083688 BJVFECFZULGXLL-UHFFFAOYSA-N 457.965 6.108 5 1 JKBF O=c1c2ccccc2n(Cc2cn(Cc3ccc(Cl)cc3)nn2)c2ccc(Br)cc12 299863838 LQVAKMSVJJXOIQ-UHFFFAOYSA-N 479.765 5.259 5 1 JKBF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c3cccnc3c3ncccc3c2[nH]1 587088499 YDUYJQQTRPYPKE-ZHACJKMWSA-N 485.378 6.690 5 1 JKBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(C)cc1[N+](=O)[O-] 587511458 PZVYVUFRPVIDBN-AREMUKBSSA-N 473.525 6.076 5 1 JKBF Cc1cc(Cl)cc2c(Oc3ccc([N+](=O)[O-])cc3)c(-c3ccc(Br)cc3)[nH]c12 587623738 NPOUCYOYBKIWPT-UHFFFAOYSA-N 457.711 7.260 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 587732280 JIJBGTDENIVFMQ-VERVWZFWSA-N 493.735 6.115 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-] 587860624 ZQVNNPFYWJLSIM-ZDUSSCGKSA-N 464.305 5.580 5 1 JKBF COc1cc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)ccc1OCC(=O)c1ccc([N+](=O)[O-])cc1 963106304 KCPGUOTXLFTXTC-DEOSSOPVSA-N 487.339 5.407 5 1 JKBF C[C@H](OC(=O)c1ccccc1)c1nc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1 1772604108 GGEPIDGPBNNBEQ-VIFPVBQESA-N 456.332 5.822 5 1 JKBF C[C@](O)(CSc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857621702 IZKTUZQSNHUDNT-INIZCTEOSA-N 468.375 5.114 5 1 JKBF Cc1ccc(CC[N+]23CCC(CC2)[C@@H](OC(=O)[C@](C)(c2ccccc2)N2CCCCC2)C3)s1 73196144 DMTORAWXSSNLOO-TWWVWNITSA-N 467.699 5.153 5 1 JKBF CCOP(=O)(OCC)[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccncc2)cc1 73197349 YVJUADXNQLNLEC-QFIPXVFZSA-N 498.501 6.643 5 1 JKBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135096 XWGVYMWHXFYKFE-ZWKOTPCHSA-N 451.571 5.447 5 1 JKBF C[C@H]1[C@@H]2C[C@@H](C[C@H]1NC(=O)c1cnc(N3C[C@H](C)C[C@@H](C)C3)nc1-c1ccc([N+](=O)[O-])cc1)C2(C)C 105175401 SUAWJGUVRZTZPA-SADXERRJSA-N 491.636 5.335 5 1 JKBF CC(C)NC[C@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1C(C)(C)C 169318849 PQVXKCQIOGNXOH-ZUTVHTERSA-N 468.638 6.098 5 1 JKBF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCn1ccnc1[N+](=O)[O-] 299824977 FGBTUBUYENCTAY-UHFFFAOYSA-N 486.891 5.138 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)N1 587743288 AHJQEMMRASSFBR-XMHCIUCPSA-N 485.309 5.339 5 1 JKBF CCOC(=O)CCCCCC[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963607792 KHZGKAGDIGCKFV-WINIVTDRSA-N 484.593 5.294 5 1 JKBF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1oc4cc([N+](=O)[O-])ccc4c1N)[C@@H](C2)C3=O 587424392 ZEGRQOVYURCGIF-BVZFJXPGSA-N 476.872 5.276 5 1 JKBF CCOC(=O)c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 587622130 YMMAGYVNNCDDCM-UHFFFAOYSA-N 498.120 5.865 5 1 JKBF Cc1cc(OCc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)ccc1[N+](=O)[O-] 587660601 HSQMZBHSTYTEJB-UHFFFAOYSA-N 499.454 5.280 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587959599 MGRVYARJVNKYCY-XSCOUVMYSA-N 465.613 8.465 5 1 JKBF CCOC(=O)[C@@]1(c2cc3ccccc3c3ccccc23)NCCc2cc3cccc(OC)c3nc21 963032327 HVPMMSTYPSZGFI-PMERELPUSA-N 462.549 5.502 5 1 JKBF COc1cc([C@H](CC(=O)c2cccc(F)c2)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 49808659 IDWGZQMADMFOIG-FQEVSTJZSA-N 454.454 5.186 5 1 JKBF O=C1c2ccccc2[C@@](OC2CCC(O)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 66114384 DUVWOXDCHCLFLA-GMKWRKAISA-N 492.959 5.425 5 1 JKBF O=N[c-]1c2cc([N+](=O)[O-])ccc2c2c(C(=O)OCc3ccccc3Br)cc([N+](=O)[O-])cc21 169727103 MWXNYYNIGBSORJ-UHFFFAOYSA-N 497.237 6.046 5 1 JKBF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4c5ccccc5c5ccccc5c4[nH]3)cccc12 586941643 LVHCRKQWSBZUCY-UHFFFAOYSA-N 480.593 5.567 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c12 587060961 RDHAAAZXDOKOSP-UHFFFAOYSA-N 479.721 6.769 5 1 JKBF O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3c4ccccc4cc4cccc2c34)[C@@H]1c1ccc(F)cc1 587350390 HRVDICWMFFYKPM-POURPWNDSA-N 460.460 6.288 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Cl)c3)c(C(C)=O)c2c1 587617650 IBLPFILPJXVAGX-UHFFFAOYSA-N 499.932 5.409 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)N1 587752277 QJZDPSIDBDXXCV-QKVFXAPYSA-N 461.287 5.292 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)N1 587816784 DFFNTXWHOMDEJR-OFJJUDJNSA-N 484.412 7.600 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2nc3ccc([N+](=O)[O-])cc3s2)N1 587857622 LWXQNIRYAPHCDL-APBUJDDRSA-N 482.400 5.648 5 1 JKBF COc1cc(C(=O)c2cn(-c3cccc(C)c3)cc2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 1857610954 XYCKBLPQNYOASH-UHFFFAOYSA-N 472.497 5.618 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135236 HLJFPYRGJYWURI-UHFFFAOYSA-N 487.604 6.015 5 1 JKBF CC1CCN(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)CC1 82135842 YLRHZNYYDGAGNK-UHFFFAOYSA-N 479.968 5.232 5 1 JKBF Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(F)cc3)c-2c/c1=N\C1CCOCC1 95572224 RDRTZFCBPLIUJD-HMZBKAONSA-N 479.559 5.796 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cnc4ccccc4c3[nH]2)ccc1Sc1nc2ccccc2s1 587037768 NDIZNGJIUHOZKD-UHFFFAOYSA-N 455.524 6.447 5 1 JKBF CN(CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587193086 ALQOOEOUQWRXQG-UHFFFAOYSA-N 476.920 5.548 5 1 JKBF COc1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 587745640 IBPOWRYEZJTBQQ-ZAMGYDSWSA-N 487.325 5.921 5 1 JKBF NC(=O)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3cccc(Br)n3)c2)cc1 1857597039 KQBCWUYSMNDVHA-UHFFFAOYSA-N 475.302 5.247 5 1 JKBF CCCCCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2C)cccc1[N+](=O)[O-] 13827636 QRVNPNWDGJMEQU-UHFFFAOYSA-N 465.554 5.548 5 1 JKBF CCN(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82150321 GWVOVTQHTLUWPZ-BGYRXZFFSA-N 473.577 5.196 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 82174103 HGWHHJAYVDMBHF-UHFFFAOYSA-N 473.558 6.205 5 1 JKBF CC1(C)[C@@H]2C=C(C[N+](C)(C)Cc3ccc(-c4ccccc4I)cc3)C[C@H]1C2 95564832 ASGZQIZDNVIZEC-YADHBBJMSA-N 472.434 6.527 5 1 JKBF CCOP(=O)(OCC)[C@@H](O)c1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 169346755 OLYMWKPKZVDPCV-OAQYLSRUSA-N 458.411 5.052 5 1 JKBF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 587333959 OGFJPGHPCZZOLN-XNMGPUDCSA-N 473.431 5.881 5 1 JKBF COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c([N+](=O)[O-])c1 587744273 CRWRASXZJQAXTC-FIKIJFGZSA-N 461.287 5.389 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COc2ccc3c(c2)oc(=O)c2ccccc23)N1 587838444 BKGJAAFHQBJBGU-HWRSSNJWSA-N 482.349 5.676 5 1 JKBF O=[N+]([O-])c1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(C(F)(F)F)c1 40849047 ZFEMAMXZWPKCTM-UHFFFAOYSA-N 458.425 5.012 5 1 JKBF Cc1ccc(CNc2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 105175188 ZNMBCKCGUHVRHS-OPDBOEGZSA-N 489.576 5.366 5 1 JKBF COc1cc(/C=C\c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1Br 586976439 KRIOTDQLYICPGJ-HYXAFXHYSA-N 453.090 5.175 5 1 JKBF O=[N+]([O-])c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 587077636 VMXOLQWODSAFHO-PEZBUJJGSA-N 452.901 6.827 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2cc1[N+](=O)[O-] 587082539 RFPMPAILHKKANB-UHFFFAOYSA-N 461.821 5.621 5 1 JKBF CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097495 JLEMGEPWSHEOCH-NRFANRHFSA-N 481.464 5.486 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)cc2)cc1 587271513 DQYUXRUBYCRQDK-UHFFFAOYSA-N 455.224 5.601 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(F)cc2[N+](=O)[O-])N1 587720503 RXHSHZXPOCXGPJ-QZTNRIJFSA-N 462.088 5.022 5 1 JKBF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(C)c1cc([N+](=O)[O-])ccc1Cl 961784348 MVNLUGJDUWAUGQ-DEOSSOPVSA-N 457.958 5.663 5 1 JKBF O=[N+]([O-])c1cc2c(OCC[C@H]3CCCCN3)c(-c3ccc(Cl)c(Cl)c3)c(O)nc2cc1Cl 29416652 VSATUVSPDAYJSO-CYBMUJFWSA-N 496.778 6.387 5 1 JKBF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 82214782 HFUOCTHRQDYNDP-AKRSBFBPSA-N 491.636 5.843 5 1 JKBF CCCCOc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br 587048493 WLOXUXKYXHTVCJ-ALCCZGGFSA-N 450.720 6.236 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2)cc1 587272618 WTAVQQAFLGIDSS-UHFFFAOYSA-N 464.506 7.207 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(F)c(C(=O)O)c3)cc1[N+](=O)[O-])CC2=O 587466120 KAANAHZVLNTAGO-HSZRJFAPSA-N 465.433 5.464 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccco2)(c2cccc([N+](=O)[O-])c2)N1 587747996 RGVDONHZXYMDRD-UWDSGDRCSA-N 457.299 5.581 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@@H]3c3ccc(F)cc3)c2c1 1857641998 RHPBNMDKFLDRSK-AREMUKBSSA-N 496.007 5.687 5 1 JKBF O=C(Nc1ccc2cc3ccccc3cc2c1)c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O 5983638 PZVCFNYDKQQTKZ-UHFFFAOYSA-N 491.981 5.797 5 1 JKBF Nc1nc(-c2ccccc2)cc(-c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)n1 49816808 WLCBSYZVPQHKQG-UHFFFAOYSA-N 471.516 6.231 5 1 JKBF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82216943 MWTPLIPTYQFWQF-JTSKRJEESA-N 451.571 5.353 5 1 JKBF O=[S@@](CCCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(Br)cc1 586961363 VGBPNONPXBAVOQ-LJAQVGFWSA-N 463.400 6.372 5 1 JKBF Nc1c([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)oc2cc([N+](=O)[O-])ccc12 587511424 GNQDVTICZBFZDW-HHHXNRCGSA-N 454.482 5.711 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)c(F)c3)c(C)c2c1 587620044 PQBXUWUMWJTVAL-UHFFFAOYSA-N 473.457 5.139 5 1 JKBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587747482 OBUUQWUHZKAWLY-MQJDWESPSA-N 461.287 5.389 5 1 JKBF O=C(O)[C@@H]1CCC[C@H]1C[C@]1(c2ccccc2[N+](=O)[O-])NC2(CC2)Cc2ccc(Br)cc21 961329094 WXVACVQQYYNDCI-PQNFPLSNSA-N 485.378 5.170 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c(oc5ccccc54)c(N4CCN(C)CC4)c3c2)cc1 1857639875 RJSUKPWRUUOQPY-BQYQJAHWSA-N 465.622 6.778 5 1 JKBF COc1cc2oc3c(C)c(=O)cc4oc(-c5ccccc5)cc(c2c2c1C=C[C@H](c1ccccc1)O2)c43 2356355830 HMNBMMYNYCMVLA-XMMPIXPASA-N 486.523 7.823 5 1 JKBF CC(C)CCCCCCCCCCC(=O)O[C@H](C)c1cccc2nc3c(C(=O)O)cccc3nc12 14451299 GHXFKBFZYYLTEC-OAQYLSRUSA-N 478.633 7.642 5 1 JKBF biogenic CCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)ccc21 28523171 SXCKCRFUZUBTGB-UHFFFAOYSA-N 457.556 5.185 5 1 JKBF Cc1ccc2c3c(c4c(nc13)-c1cc([N+](=O)[O-])c(Br)cc1C4)-c1ccccc1C2=O 586993790 PAFHVUZFTXDHJC-UHFFFAOYSA-N 457.283 5.997 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1Sc1nc2ccccc2s1 587039644 ZSHBVSXYLNYVLO-UHFFFAOYSA-N 460.500 5.481 5 1 JKBF O=c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587058106 QBRHJORXHJPZAS-UHFFFAOYSA-N 470.359 7.053 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587069562 KCGLMRFXRNOIAB-VKAVYKQESA-N 482.765 7.060 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 587123293 HMEXEJDIRSEKSM-UHFFFAOYSA-N 462.247 5.566 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 587551872 KRLNTZWBWWFALC-ZEQKJWHPSA-N 489.867 6.449 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1 587572964 UGZBKFLFUDTDCW-OZXSUGGESA-N 489.480 6.294 5 1 JKBF O=C(Cn1nc(C(F)(F)F)c2c(-c3ccccc3)c3ccccc3nc21)Nc1ccc([N+](=O)[O-])cc1 1772617126 WYEPYSSFIDLLHR-UHFFFAOYSA-N 491.429 5.817 5 1 JKBF COc1ccc(N2N=C3c4cc(Cl)cc([N+](=O)[O-])c4NC[C@H]3[C@@H]2c2ccc(Cl)cc2)cc1 1772655256 PFUZPZIQRUUZKI-XXBNENTESA-N 469.328 5.918 5 1 JKBF COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NC2CCCCC2)c([N+](=O)[O-])cc1OC 774970 ASBXCWQTPMBHGN-UHFFFAOYSA-N 469.469 5.136 5 1 JKBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148859 AIGZTKYFSXTBKL-WCIQWLHISA-N 465.598 5.185 5 1 JKBF CC[C@@H]1OCCC[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586912701 OTBASCFBUPILKP-JPYJTQIMSA-N 484.508 5.518 5 1 JKBF O=C1c2ccccc2-c2cc(Cc3ccc(OC(F)(F)F)cc3[N+](=O)[O-])nc3ccc(O)c1c23 586985724 FMUHSTMXOYZUIX-UHFFFAOYSA-N 466.371 5.549 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C[C@@H]2CCCC[C@H]21 587028713 ZMQXGHWNKXHSEU-XKQJLSEDSA-N 489.395 5.370 5 1 JKBF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1COc1ccccc1[N+](=O)[O-] 587574711 GUHKFSXZTIPNIX-LSYYVWMOSA-N 499.475 5.591 5 1 JKBF O=C(Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1cccc([N+](=O)[O-])c1 587578745 XJVQZGCUVLFNQJ-JYFHCDHNSA-N 483.432 5.223 5 1 JKBF COc1ccc(-c2cccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2C)c(OC)c1 587929681 ONKUFHIOOKYHPI-UHFFFAOYSA-N 468.307 5.893 5 1 JKBF O=c1c2ccccc2n(Cc2nc(-c3ccc(Cl)cc3)no2)c2ccc(Br)cc12 653739192 WYNKNMYHWNPBBF-UHFFFAOYSA-N 466.722 5.669 5 1 JKBF COc1cccc2cc3c(nc12)[C@@]1(NCC3)c2ccccc2CC[C@H]1c1cc(Cl)c([N+](=O)[O-])cc1C 963033946 KSNMEIUXVFHNMB-MUAVYFROSA-N 499.998 6.233 5 1 JKBF C1=Cc2nc1cc1ccc([nH]1)c(-c1ccccc1)c1ccc(cc3nc(c2-c2ccccc2)CC3)[nH]1 34643256 CDIHHQCOFRPMFA-UHFFFAOYSA-N 464.572 7.604 5 1 JKBF CCN(CC)CCOc1c2ccc(Cl)cc2nc2c3ccccc3n(CCN(CC)CC)c12 64548522 WFSCAWNWSNBXNI-UHFFFAOYSA-N 467.057 6.059 5 1 JKBF O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1ccccc1Br)c1c[nH]c2ccccc12 299822838 CETLFXYYEYDGIT-KTKRTIGZSA-N 481.306 5.063 5 1 JKBF Clc1ccccc1-c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc2n1 587060199 FNTKBKFDMUAVSX-UHFFFAOYSA-N 457.924 7.195 5 1 JKBF Cc1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587340112 VAPRUWHGVKROFI-PTKADBCRSA-N 462.477 5.078 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccc([N+](=O)[O-])cc3Cl)c1)CC2=O 587461703 LWKLTWKQJUDPRT-RUZDIDTESA-N 497.931 6.200 5 1 JKBF C[C@]1(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505127 KKXFCGOLPWQFBJ-NDEPHWFRSA-N 475.516 6.158 5 1 JKBF O=C(C[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3)Nc1ccccc1 587512369 NCOARHLYQGUEJR-MHZLTWQESA-N 456.498 5.363 5 1 JKBF COc1cccc2cc3c(nc12)[C@]1(NCC3)c2ccccc2CC[C@@H]1c1cc(Cl)c([N+](=O)[O-])cc1C 963033939 KSNMEIUXVFHNMB-BTYSJIOQSA-N 499.998 6.233 5 1 JKBF COC(=O)[C@H]1CCC(=O)N1Cc1cc(OC)c2c(OC)cc3cc(OCc4ccccc4)ccc3c2c1 1857633412 KAEUCZLRBGCTLN-RUZDIDTESA-N 499.563 5.253 5 1 JKBF COc1cc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc32)cc(OC)c1 13812797 HBUFHBZBFGRNLL-UHFFFAOYSA-N 470.058 6.627 5 1 JKBF [O-][N+]1(CCC(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 28455566 MDSVMKMYXTVWGS-UHFFFAOYSA-N 489.965 6.877 5 1 JKBF C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)c1ccc(Cl)c(Cl)c1 28529711 NGHRIYJFWCQJNY-UHFFFAOYSA-N 464.869 7.907 5 1 JKBF Cc1oc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174437 TWRYZGUTFINBDP-FQEVSTJZSA-N 457.490 5.273 5 1 JKBF Cc1cc(N(C)Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c([N+](=O)[O-])cc1F 587136714 JQORYCBZYQAHSQ-UHFFFAOYSA-N 461.213 5.336 5 1 JKBF Nc1c([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)oc2cc([N+](=O)[O-])ccc12 587511426 GNQDVTICZBFZDW-MHZLTWQESA-N 454.482 5.711 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)c(F)c(F)c3)c(C)c2c1 587619888 LZRYEFCDAKJTOP-UHFFFAOYSA-N 491.447 5.278 5 1 JKBF O=c1c(-c2cccc(Cl)c2)coc2cc3occ(-c4cccc(Cl)c4)c(=O)c3c(O)c12 653882258 GFYHNMRHAMVYED-UHFFFAOYSA-N 451.261 6.246 5 1 JKBF O=C(CC[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1)C1CCN(c2ccc(F)cc2)CC1 27630473 CKKSTBUHZHMYFV-HHHXNRCGSA-N 480.511 6.259 5 1 JKBF C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163502 IUZSUOOYAGIESH-VGSWGCGISA-N 471.586 6.833 5 1 JKBF Fc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1cn(-c2cccc(C(F)(F)F)c2)nn1 98085198 PMNMRDMYXHTQIG-UHFFFAOYSA-N 462.410 5.525 5 1 JKBF CCOC(=O)c1nc(Nc2cc(Oc3c(C)cccc3C)cc([N+](=O)[O-])c2)c2ccccc2n1 230503805 XVFDHTDTWANVOU-UHFFFAOYSA-N 458.474 5.867 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1Cl 587077696 XHRDZLLJLBYVBB-RVDMUPIBSA-N 487.346 7.480 5 1 JKBF Fc1ccc(O[C@@H](c2ccccc2)c2nc3c4cccnc4c4ncccc4c3[nH]2)c(Cl)c1 587159875 WRJCBYKXGVGEJN-VWLOTQADSA-N 454.892 6.620 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587182217 FWBURUZLCDQMKA-UHFFFAOYSA-N 478.471 5.159 5 1 JKBF O=C(NC1(c2nc3cccc([N+](=O)[O-])c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 587239057 HKWXUIBHLHJQBE-UHFFFAOYSA-N 484.512 5.016 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 587573728 XBJXMJFQHYEAKH-SHQCIBLASA-N 487.439 5.721 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 587698003 XVSTZSXYKVENMD-FVINQWEUSA-N 465.706 6.033 5 1 JKBF CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1[N+](=O)[O-])C[C@@H]4OCC)O[C@H](C)CC3=O 29132859 QOLVZALCPIGQFF-UAOJZALGSA-N 493.512 5.609 5 1 JKBF C[N+](C)(CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)Cc1ccc(Cl)cc1 40776062 MYKDUKIDPAMWRW-UHFFFAOYSA-N 478.003 7.628 5 1 JKBF O=[N+]([O-])c1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2Cc1ccc2ccccc2c1 103263955 JBWCNAHZWJPFEN-UHFFFAOYSA-N 459.505 6.878 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2ccc(Cl)cc2c2c(Cl)cc(Cl)cc12 169338002 URWRIAOWYMAWFU-QHCPKHFHSA-N 452.853 7.889 5 1 JKBF O=C1c2ccccc2[C@@](O[C@H]2CC[C@H](O)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 254010470 DUVWOXDCHCLFLA-WCYRKSIYSA-N 492.959 5.425 5 1 JKBF Nc1ccc(F)c(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 587140561 CNFLJKNQNNLWBG-UHFFFAOYSA-N 495.466 5.157 5 1 JKBF Fc1ccc(Oc2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cn2)c(Br)c1 587160984 IBGJAAOTQXRAEW-UHFFFAOYSA-N 486.304 6.415 5 1 JKBF Cc1c(Br)ccc([N+](=O)[O-])c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587674027 SDEJOHXYZVUJTD-CQLKUDPESA-N 458.125 5.191 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COc2ccc([N+](=O)[O-])cc2Cl)(C(C)(C)C)N1 587698300 UVEJOSFTLAYXAE-XUSGNXJCSA-N 485.781 6.004 5 1 JKBF COc1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 587745634 IBPOWRYEZJTBQQ-JCQPUDPBSA-N 487.325 5.921 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)N1 587844742 MCDPRACEMIVLSK-XMHCIUCPSA-N 473.367 6.271 5 1 JKBF Cc1ccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc([N+](=O)[O-])cc2)cc1 100705967 HVMBVTNKOZEXRN-UHFFFAOYSA-N 485.525 5.178 5 1 JKBF CC(C)(C)NC[C@@H](O)c1cc2ccc(Br)cc2c2cc(Br)ccc12 169339299 BJSJLHWUUBGOPR-LJQANCHMSA-N 451.202 5.940 5 1 JKBF O=[N+]([O-])c1cccc(Nc2cc(-c3ccccc3)nc(SCc3nc4ccccc4[nH]3)n2)c1 299828497 NIFJRUIVIKSTJT-UHFFFAOYSA-N 454.515 5.964 5 1 JKBF Cc1onc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587078881 CJEHCWUHYPWADI-UHFFFAOYSA-N 450.842 5.125 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587159134 MWXNYQAIXDLKEL-IBGZPJMESA-N 476.689 6.195 5 1 JKBF CCC[C@@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587200035 WMQQEZVGNBBCNW-DEOSSOPVSA-N 488.519 6.332 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccn12 587577021 QSOKFXBZNUJNIM-AMGIVPHBSA-N 479.448 5.318 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 587746329 JNLYSRDZCUSGQM-WNSKOXEYSA-N 455.327 5.517 5 1 JKBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587749179 XRXGUHWIUAVYGT-WSVYEEACSA-N 461.287 5.389 5 1 JKBF CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)/C1=C(/O)OC(C)C 621475064 OCTSMRUUQQDNCD-HHUUSFLGSA-N 468.506 5.833 5 1 JKBF CCc1cnc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174370 PPRGCZREZQWPMG-UHFFFAOYSA-N 451.939 6.003 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1[N+](=O)[O-] 587111607 NCFVCNYQNCPZHD-UHFFFAOYSA-N 496.323 6.751 5 1 JKBF CC(C)CCOc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1Br 587158774 IOBFBTMXUACLRN-UHFFFAOYSA-N 452.280 5.377 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Cl)ncc(I)c4[nH]3)cc2)cc1 587271476 CKZONUSHORSCDN-UHFFFAOYSA-N 492.660 5.583 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)N1 587843571 IQUOSRZPDNHCFZ-WLRWDXFRSA-N 475.343 5.061 5 1 JKBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(C)cc2[N+](=O)[O-])o1 587871289 FCQCVNCVVCEZLO-UHFFFAOYSA-N 465.437 5.165 5 1 JKBF COc1cc2c3c(ccc4c5ccc(OC)c(OC)c5c(-c5ccccc5)[n+](c43)CC2)c1OC 1857547580 JSUZCLUUKYXVSV-UHFFFAOYSA-N 452.530 5.691 5 1 JKBF CC(C)=CCc1c2c(c3oc4c(O)c5c(cc4c(=O)c3c1O)C=CC(C)(C)O5)C=CC(C)(C)O2 38969950 XIIRDJVLPUNNGC-UHFFFAOYSA-N 460.526 6.235 5 1 JKBF biogenic CCCCNc1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2cccc([N+](=O)[O-])c2)n1 82135909 PUNULEIBJYDDKP-UHFFFAOYSA-N 473.455 5.213 5 1 JKBF CCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)c(-c2ccc(OC)c([N+](=O)[O-])c2)s1 137944426 ZYQAHFWZNLAYSW-UHFFFAOYSA-N 473.503 5.201 5 1 JKBF O[C@@H](C[C@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(Cl)ccc12 169337853 MBWJNYQIIJECKU-QRWLVFNGSA-N 475.860 7.250 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 587141451 SWHPYUXGPCGQGX-UHFFFAOYSA-N 476.302 6.471 5 1 JKBF CCCCCOc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1Br 587159765 XMJFHPSIDSKNNS-UHFFFAOYSA-N 452.280 5.521 5 1 JKBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587644417 BWOCQHPJSRGDSE-JTHBVZDNSA-N 460.873 5.588 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 587744290 CUGVWWSXACGIJO-YDZGXFTCSA-N 478.318 5.492 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 587748628 ASMRNHJCGRUWCH-WHEQGISXSA-N 457.299 5.912 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 587751448 MKOSHQHFCRPJBE-IPQOISQHSA-N 458.331 5.556 5 1 JKBF Cc1c(OC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc2c1oc(=O)c1ccccc12 587837912 LJNGXZHEQPPAFH-IYJVBRSBSA-N 496.376 5.985 5 1 JKBF O=C1c2cc(Br)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(Cl)cc1F 653833273 WGKQTGIATRHDFP-UHFFFAOYSA-N 463.646 6.234 5 1 JKBF O=[N+]([O-])c1cc(Cl)ccc1-c1ccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)o1 962717737 QQSSKWTZLARJAA-IQMFZBJNSA-N 458.942 6.100 5 1 JKBF O=[N+]([O-])c1cc(CSc2nnc(-c3ccccc3)n2Cc2ccccc2)cc(C(F)(F)F)c1 1857565782 WVZMSXUQEDVIKQ-UHFFFAOYSA-N 470.476 6.213 5 1 JKBF O=C(CCc1ccccc1)c1c(O)c(Cc2ccccc2O)c(O)c2c(=O)c3ccccc3oc12 13307982 NIFSYUFGZVWGGD-UHFFFAOYSA-N 466.489 5.469 5 1 JKBF biogenic,in-vitro CCSc1ccc(Nc2ncnc(N3CCC(c4nc(C(C)C)no4)CC3)c2[N+](=O)[O-])cc1 40874087 YFLIBDGYNPRMAW-UHFFFAOYSA-N 469.571 5.131 5 1 JKBF CCCCCc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174078 INCCZAJJBVPPOQ-UHFFFAOYSA-N 489.551 6.542 5 1 JKBF c1ccc2nc3cc4[nH]c(Cc5csc(-c6ccc7c(c6)OCCO7)n5)nc4cc3nc2c1 587018903 RCCHXCOMCKDYLZ-UHFFFAOYSA-N 451.511 5.145 5 1 JKBF CC(C)COc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br 587047281 DYKCRDGIEUKWDW-XQRVVYSFSA-N 450.720 6.092 5 1 JKBF Cc1c(OCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc2c1oc(=O)c1ccccc12 587209857 VNXHASRWMWDNRR-UHFFFAOYSA-N 469.496 6.593 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N1 587692562 BIFWLNJWKGBFBX-AMXDTQDGSA-N 491.744 6.566 5 1 JKBF C[C@@](O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857608908 BILACUPNENPNBG-MRXNPFEDSA-N 468.375 5.114 5 1 JKBF C[C@](O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 34801535 KVTAFLVWAAKRDT-SFHVURJKSA-N 476.329 5.178 5 1 JKBF O=C(O)c1ccc(NC(=O)c2cccc(Cc3ccc(F)cc3)c2)c(Cc2cccc([N+](=O)[O-])c2)c1 45498204 WAYUEKAYHDKKPU-UHFFFAOYSA-N 484.483 5.866 5 1 JKBF COc1ccc(CCNc2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82134979 ZVZTXOGQUFJDNC-UHFFFAOYSA-N 489.576 5.025 5 1 JKBF CSc1sc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920459 RLIUOTBUDLJDKB-UHFFFAOYSA-N 487.071 7.155 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](C)(COc1ccc3c(oc(=O)c4ccccc43)c1C)CC2=O 587484814 IGLYUCWANKNHDV-MUUNZHRXSA-N 458.510 5.716 5 1 JKBF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1c([N+](=O)[O-])ccc(OCc2ccccc2)c1F 587650476 XFYDTAYRRDSUKA-UHFFFAOYSA-N 454.479 5.173 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)N1 587843583 IWXZPQZTLAGJCS-XMHCIUCPSA-N 473.367 6.271 5 1 JKBF COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C 962631474 RMKPXFZFFIFHLA-IVCQMTBJSA-N 492.528 5.157 5 1 JKBF Oc1ccc([C@@H]2c3c(O)cc(O)c4c3c(cc3ccc(O)cc34)[C@H]2c2cc(O)cc(O)c2)cc1 2356439943 IOZHXVGEYABNFO-RPBOFIJWSA-N 452.462 5.504 5 1 JKBF O=C(O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 1550103 TWCNWISPABVKII-CBQRAPNFSA-N 482.691 5.221 5 1 JKBF COc1cc([C@H]2S/C(=C/c3ccccc3)C(=O)N2c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 6003757 NTYZVUITGAEFLS-LWRBDHNKSA-N 478.526 5.440 5 1 JKBF O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Oc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 587341100 IPRFFPFMOWZJGU-XNMGPUDCSA-N 469.424 5.848 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C3CC3)c2c1 587617993 LBLLLRKLAUBSFJ-UHFFFAOYSA-N 497.960 6.083 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c(F)cc(F)cc3F)c(C)c2c1 587619650 LFESBEYWYTYTCU-UHFFFAOYSA-N 491.447 5.278 5 1 JKBF O=[N+]([O-])c1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2nc3ccccc3[nH]2)c1 587622912 JTJDHZWKLFKTFE-UHFFFAOYSA-N 473.290 5.925 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COc2ccc([N+](=O)[O-])cc2Cl)(C(C)(C)C)N1 587691476 BMQGHTJVKYHTBL-QKVFXAPYSA-N 485.781 6.004 5 1 JKBF COc1ccc2c(c1)[C@@](Cc1ccc([N+](=O)[O-])c(Cl)c1)(c1ccccc1)N(C(C)C)CC2 962094106 WBSHEGUMNBLEEP-AREMUKBSSA-N 450.966 6.010 5 1 JKBF COc1ccc2c(c[n+]3c4c2cc([C@H](C)c2ccccc2)c2c5c(cc(c24)CC3)OCO5)c1OC 1857537350 KRCSPAWEBSLNEL-QGZVFWFLSA-N 464.541 5.888 5 1 JKBF C[C@@H](CCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)Oc1ccc([N+](=O)[O-])cc1Cl 198906879 BFVRBGOJIQJIHP-NRFANRHFSA-N 495.019 6.054 5 3 JKBF COc1nc([N+](=O)[O-])cn1C[C@@H](OCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 66111683 MFYAAGNGYWCROA-QGZVFWFLSA-N 456.713 5.718 5 1 JKBF O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135913 WAQBTWYUYIOFLA-UHFFFAOYSA-N 499.493 5.745 5 1 JKBF Brc1cc(/C=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)cc2c1OCCO2 586999692 AKKQQWJBEVGDFO-KTKRTIGZSA-N 457.327 6.573 5 1 JKBF Cc1onc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079981 QAFQCAFBEYCWOA-UHFFFAOYSA-N 461.187 5.005 5 1 JKBF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587108002 FXNPRTJRXHRFCY-OAQYLSRUSA-N 495.526 6.414 5 1 JKBF O=[N+]([O-])c1cccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 587111806 PFWFZWMGZOCSNZ-UHFFFAOYSA-N 451.326 6.843 5 1 JKBF Cc1cc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)ccc1[N+](=O)[O-] 587574725 GYTMIBDHAPRSBR-BVAGGSTKSA-N 473.437 5.484 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)N1 587735582 XWTSZACBRWKJJQ-WSVYEEACSA-N 479.277 5.431 5 1 JKBF Cc1c(OC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc2c1oc(=O)c1ccccc12 587837914 LJNGXZHEQPPAFH-RMKBEBRYSA-N 496.376 5.985 5 1 JKBF Cc1cc2c(cc1F)[C@]1(CC[C@H](c3ccccc3)C[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1)NCC2 962295257 CXFFUNZLUMNHTB-QNXIHNPRSA-N 464.968 6.788 5 1 JKBF C=CC=C(C=C)c1cc2cc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)ccc2c2ccccc12 2356590175 FYRQXVILVLQJKJ-UHFFFAOYSA-N 483.611 9.235 5 1 JKBF CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCCc1c(Cl)cccc1Cl 2483653 BETWTLZPGCHCLF-UHFFFAOYSA-N 496.778 6.480 5 1 JKBF CC1CCN(c2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82135997 TWHUDBXVZKOCMW-UHFFFAOYSA-N 499.493 5.237 5 1 JKBF O=C1C[C@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587503491 OHTKUSDNPPJDPW-VWLOTQADSA-N 478.342 6.145 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1Cl 587542308 INKZAQXZFIUITF-URXFXBBRSA-N 462.845 5.447 5 1 JKBF COc1ccc(-c2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(O)c2)cc1OC 587926595 JLLKNGZNQKUOGB-UHFFFAOYSA-N 470.279 5.290 5 1 JKBF CC[N+](CC)(CC)CCCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC 3982788 HUZFDNLGSMWRKD-UHFFFAOYSA-N 496.953 10.151 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(C(C)(C)C)c2[nH]1 586949185 UEYNYEDYDJBOKP-UHFFFAOYSA-N 464.547 5.545 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1Cl 586999975 HQOVBKHYKFEWLD-UHFFFAOYSA-N 458.703 5.561 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1Sc1nc2ccccc2s1 587037457 JBLAIGZUKBXDCG-UHFFFAOYSA-N 450.461 5.202 5 1 JKBF O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1[N+](=O)[O-] 587575870 LDXLDBGJJRVYCX-JYFHCDHNSA-N 483.432 5.369 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)N1 587723541 AZJYKEWWHMRNKO-XFNZEKPQSA-N 493.279 6.191 5 1 JKBF CC(=O)CCNc1ccc(-c2cc(-c3ccc(N(C)C)cc3)nc3ccc4ccccc4c23)cc1 13002316 ZRCFZLFZSNNYPA-UHFFFAOYSA-N 459.593 7.179 5 1 JKBF C[N+](C)(C)[C@@H]1CCCC[C@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1CCCCC1 28712523 ZBEORDZSEHCNHX-CLJLJLNGSA-O 472.671 7.539 5 1 JKBF Cc1oc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163475 GNLCEEKJGKYMRB-SBUREZEXSA-N 469.545 6.673 5 1 JKBF O=c1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(Br)cn1Cc1ccccc1 587006791 SALLXRRTQPHUSS-UHFFFAOYSA-N 482.341 5.299 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@H]2CCCC[C@@H]21 587026028 JZZHEUUBSVUASQ-QMMLZNLJSA-N 467.598 5.796 5 1 JKBF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1cccc(Cl)c1 587071189 KMGDEGQDWUVPDX-LJQANCHMSA-N 473.964 6.121 5 1 JKBF CCOc1cc(/C=C/c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1OC(F)F 587131371 ZDHQOTHQRVZZST-XBXARRHUSA-N 454.227 5.404 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344568 HBHVBKAVPYOCSF-ABYGYWHVSA-N 481.479 5.769 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)O2 587382808 SFZUFHXECDCRAF-NRFANRHFSA-N 458.392 6.003 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c1)CC2=O 587465436 DUEMGKQDNYTJSW-AREMUKBSSA-N 465.477 5.852 5 1 JKBF C[C@]1(Cc2ccc(Br)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537871 BKIYXEZGSPIRLB-DENIHFKCSA-N 470.275 5.026 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c(F)cccc3Cl)c(C)c2c1 587620682 XWTXZUNDQBWJPF-UHFFFAOYSA-N 489.912 5.653 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 587748627 ASMRNHJCGRUWCH-MCMMXHMISA-N 457.299 5.912 5 1 JKBF CCN(Cc1ccccc1)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1 82150147 AUYCACGIZGVLLM-UHFFFAOYSA-N 499.546 5.508 5 1 JKBF CCOc1ccc(CCNc2ncc(-c3ncc(CC)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163751 HOBULDNQABZNLM-UHFFFAOYSA-N 475.574 5.791 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(NCC4CC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 82174354 CVRXBZVUMAVGDX-UHFFFAOYSA-N 459.531 5.673 5 1 JKBF CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1 82193371 HSZAMHVNNBGXKK-WMZOPIPTSA-N 494.683 5.593 5 1 JKBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc2c1 586949324 TVHROXOJRMTLRI-UHFFFAOYSA-N 486.509 5.731 5 1 JKBF C[C@H](C(=O)c1coc2cc([N+](=O)[O-])ccc12)n1nc(C(F)(F)F)c(Br)c1C1CC1 587280036 HIZYZMYUJMYALA-MRVPVSSYSA-N 472.217 5.640 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 587731182 KREILHLNEIWINF-YTEVENLXSA-N 491.357 6.410 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)N1 587735618 YENWAUGVZVNKRG-WSVYEEACSA-N 479.277 5.431 5 1 JKBF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C1 587969738 VWCSXKPAVLMTCU-HZPDHXFCSA-N 496.563 6.775 5 1 JKBF O=C(O)c1c(Cl)cccc1NCc1ccc(Sc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 1911584287 CMNNXVXJGHMPIM-UHFFFAOYSA-N 483.760 7.017 5 1 JKBF CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 2483657 LHZMWBKUIMBQPR-UHFFFAOYSA-N 471.941 5.572 5 1 JKBF CC[C@H](C)CCCCCCCCCCC(=O)O[C@@H](C)c1cccc2nc3c(C(=O)O)cccc3nc12 14451303 NYHKGAFIZKWATG-VXKWHMMOSA-N 492.660 8.033 5 1 JKBF biogenic CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587054237 JBZRTOBZGXEGSS-HNNXBMFYSA-N 475.254 5.924 5 1 JKBF Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587116968 CQYYEYYWYNXCSQ-VIFPVBQESA-N 477.472 5.194 5 1 JKBF COCCNc1ccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1[N+](=O)[O-] 587261431 BKKZXAMDJBLVBN-UHFFFAOYSA-N 497.349 5.538 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)cc1 587271403 CLBKKAXTYVLLFS-UHFFFAOYSA-N 489.123 6.455 5 1 JKBF CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328489 USGRWJSSTCJCTO-RDGATRHJSA-N 499.878 5.301 5 1 JKBF O=C1C[C@@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)Oc2c1ccc1c2CCCC1 587504349 ISEQKWYMKGVTPR-DEOSSOPVSA-N 467.880 6.765 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 587574378 GBSCPYORQJCAQK-ZEQKJWHPSA-N 455.422 5.796 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COc2ccc([N+](=O)[O-])cc2Cl)(C(C)(C)C)N1 587698293 UVEJOSFTLAYXAE-GTJPDFRWSA-N 485.781 6.004 5 1 JKBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(CNc4ccccc4)cc3)cc1)C2 45261068 FVTICGRSCVVDQB-DEOSSOPVSA-N 456.502 5.048 5 1 JKBF Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCOc1ccc([N+](=O)[O-])cc1)C2 49068734 UGHAASOWTMWNED-UHFFFAOYSA-N 492.384 5.213 5 1 JKBF O=C(O)c1ccc(Nc2nc(Nc3ccc(Oc4ccccc4)cc3)nc3ccc([N+](=O)[O-])cc23)cc1 71317941 MOPUOJYVWLPGDR-UHFFFAOYSA-N 493.479 6.516 5 1 JKBF CC1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 82149481 ZGDVPMWOZCDFSS-IHIBHSRISA-N 477.609 5.407 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 82163519 NHOMSYCYFZVAIQ-UHFFFAOYSA-N 475.574 5.943 5 1 JKBF COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(O)c([N+](=O)[O-])c4)C3=C(O)C2)cc1OC 103935101 OFQIYSYTOZQFRP-CBZJRKILSA-N 487.512 5.947 5 1 JKBF COc1ccc(C(=O)Nc2nnc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)s2)cc1 299829994 NJQMSOFDFQQDCR-UHFFFAOYSA-N 493.457 5.075 5 1 JKBF Cc1c(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980215 RTNAMBRXGOKKKH-UHFFFAOYSA-N 469.133 5.759 5 1 JKBF O=C1c2ccccc2-c2cc(Cc3ccc(Br)cc3[N+](=O)[O-])nc3ccc(O)c1c23 586985291 UFLXFYOJKFUPRO-UHFFFAOYSA-N 461.271 5.413 5 1 JKBF CC[C@@H](C)n1ncc(I)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587180184 DRUNTJRJKQXLDF-CYBMUJFWSA-N 466.326 6.308 5 1 JKBF O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 587340193 XBYAVPRAVFZQIC-AHKZPQOWSA-N 473.431 5.881 5 1 JKBF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc(Cl)c([N+](=O)[O-])n1 587499103 LEPZCWNZPHBXRQ-QFIPXVFZSA-N 467.909 5.087 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 587573756 XHLVBBUDNJSVSC-JYFHCDHNSA-N 457.413 5.345 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2)N1 587700931 UGGSKNRSJDFQSX-AMXDTQDGSA-N 491.744 6.566 5 1 JKBF Cc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2Cc2ccccc2)cc1 1857620631 VLCIRWBCVUXTOC-UHFFFAOYSA-N 484.503 6.521 5 1 JKBF CC(C)CN(CC(C)C)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 82135967 ILPKKXAVUKROQS-UHFFFAOYSA-N 496.011 6.072 5 1 JKBF Cc1oc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174175 IMZUHRKSDMEWFA-GAJHUEQPSA-N 469.545 6.673 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)ccc1Sc1nc2ccccc2s1 587034900 IRAFCWZIMPVJFK-UHFFFAOYSA-N 473.366 7.206 5 1 JKBF CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c12 587169235 YTNXDUYNMGUMBZ-UHFFFAOYSA-N 474.471 6.151 5 1 JKBF Cc1c(Br)ccc([N+](=O)[O-])c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537384 DQASYCPXHVVVDA-RXVVDRJESA-N 456.248 5.074 5 1 JKBF CCN(CC)CC/N=c1\cc2n(-c3ccccc3)c3ccc(Cl)cc3nc-2cc1Nc1ccccc1 27644419 QGSSUWXJHCSXKR-WGPBWIAQSA-N 496.058 6.770 5 1 JKBF O=[N+]([O-])c1cc2c(OCC[C@@H]3CCCCN3)c(-c3ccc4ccccc4c3)c(O)nc2cc1Cl 29411200 HYDMAFBYHFZUPZ-IBGZPJMESA-N 477.948 6.233 5 1 JKBF O=C(NCc1ccccc1)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 82135895 DLTRUGVVRCATAY-UHFFFAOYSA-N 487.947 5.290 5 1 JKBF C[C@@H]1CCCN(c2c/c(=C\c3ccc(C(=O)O)cc3)c3c(O)c4ccccc4c4onc2c34)C1 169728460 PNSKVEDMXUNUTC-CXDFQFJYSA-N 452.510 5.322 5 1 JKBF CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@H]2C1 254142534 DZQLBFSYEPOYJZ-IGFILHTKSA-N 471.557 5.909 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)c2)cc1 587271692 FMSBYPDJJRASSS-UHFFFAOYSA-N 463.393 5.224 5 1 JKBF C[C@@]1(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338836 RYJHMDHAHJBOQZ-PXJZQJOASA-N 499.494 6.293 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1 587692916 IHNKEHWSMROVIA-FVINQWEUSA-N 465.706 6.033 5 1 JKBF COc1cc2c(cc1OC)C[N@+]1(Cc3ccccc3)CCCc3cc(OC)c(OC)cc3[C@H]1C2 1857556498 DZQXUDWCCIDAFO-FYBSXPHGSA-N 460.594 5.482 5 1 JKBF O=C(Nc1nc2c(ccc3onc(-c4ccccc4[N+](=O)[O-])c32)s1)c1ccc(Cl)cc1Cl 13660909 OUCHQVYPFQHKNF-UHFFFAOYSA-N 485.308 6.572 5 3 JKBF Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\C2CCCC2)cc1 27642405 UHBXKEQVCKYVRK-HMZBKAONSA-N 499.445 8.024 5 1 JKBF COc1cc2c(cc1CCc1ccncc1)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 29125951 CKTLWCQCWAQUSF-UHFFFAOYSA-N 496.523 5.769 5 1 JKBF C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccc4ccccc4c3)CCC1CC2)(c1ccccc1)N1CCCCC1 73196715 VLWKCPPUBKYCEF-BQTUONFDSA-N 497.703 5.936 5 1 JKBF CC(C)C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169301231 ZFXRZGCZDCRDBC-XWDJPMTQSA-N 495.664 5.816 5 1 JKBF CC[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](Oc1cc2ccccc2c2ccccc12)c1ccnc2ccc(O)cc12 299813154 OVOHVXCZSNSNOD-GBCLYBCLSA-N 488.631 7.487 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587058062 ZZIBCYLRFSQGHR-QFIPXVFZSA-N 478.940 5.083 5 1 JKBF CCOc1ccc(-c2nn(C(=S)Nc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1OCC 587669432 CWIQXAAEVYDHNW-UHFFFAOYSA-N 490.541 5.014 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587731872 LQGPXZFNEDABRO-AMXDTQDGSA-N 475.289 6.051 5 1 JKBF COc1cc2c(cc1OC)[C@@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1Cl)N(C)[C@@H](C)C2 962623444 IKILDAHEVRGHES-ODCWNRFASA-N 467.953 5.016 5 1 JKBF COc1cc2c3c(c4ccc(OC(=O)c5ccco5)cc4c2cc1OC)CN1CCCC[C@@H]1C3 1772589090 YUCNZVOIVAYDSD-QGZVFWFLSA-N 457.526 5.733 5 1 JKBF CCN(CC)c1ccc2cc(C3=NN(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)C3)c(=O)oc2c1 1857641914 SXTRCEYAXMCPBX-SANMLTNESA-N 482.540 5.903 5 1 JKBF Cc1cc(O)cc2cc(-c3ccc(OCCN4CCCCC4)cc3)c3cc([C@@H](C)O)ccc3c12 13494071 OGFVXFRTWSZFLM-OAQYLSRUSA-N 455.598 6.592 5 1 JKBF CC(C)(C)c1ccc(COCC[N+]23CCC(C(O)(c4ccccc4)c4ccccc4)(CC2)CC3)cc1 35923455 XMVDRXQIFDPOSJ-UHFFFAOYSA-N 484.704 6.438 5 1 JKBF CC(C)/N=c1\cc2n(-c3ccc(OC(F)(F)F)cc3)c3ccccc3nc-2cc1Nc1cccnc1 95572343 OZFRQQRLUHDDAK-AWSUPERCSA-N 489.501 6.477 5 1 JKBF CC1=Nc2nc(SCc3ccc([N+](=O)[O-])cc3)nc(O)c2[C@H](c2ccncc2)/C1=C(/O)OC(C)C 104111226 PMCHQOHOOIIPFZ-UPHPNCSHSA-N 493.545 5.210 5 1 JKBF COc1cc(O)c2c(c1-c1c(OC)cc(O)c3c1ccc1cc(O)ccc13)CCc1cc(O)ccc1-2 238744405 WAGHNVSMIQWJHO-UHFFFAOYSA-N 480.516 6.265 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@@H]2CCCC[C@H]21 587026030 JZZHEUUBSVUASQ-WMQCIHAUSA-N 467.598 5.796 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3ccc(Br)cc3[nH]2)ccc1Sc1nc2ccccc2s1 587034423 FROANDMRWFNFBK-UHFFFAOYSA-N 483.372 6.662 5 1 JKBF Clc1ccccc1OCCn1c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc2ccccc21 587064925 XGYPZUHJEUREBP-UHFFFAOYSA-N 487.990 8.223 5 1 JKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587070832 IBDYUDGRPKKPJN-LXGMJGTLSA-N 459.380 7.332 5 1 JKBF O=[N+]([O-])c1ccc(CCc2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 587623122 LQSJUTXLUZIJAG-UHFFFAOYSA-N 461.319 6.167 5 1 JKBF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Br)cc3)c(Oc3ccc([N+](=O)[O-])cc3)c2c1 587650024 UUHBFSRSEWAVBU-UHFFFAOYSA-N 487.331 5.701 5 1 JKBF O=[N+]([O-])c1cccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 1857582776 RRQJLAVKHMFNKC-UHFFFAOYSA-N 483.531 7.172 5 1 JKBF O=[N+]([O-])c1ccc(Cl)c([C@@H]2CC(c3cccc4ccccc34)=Nc3ccccc3[S@]2=O)c1 5810695 YSEGBBFOGYVBHK-UKJJDJLKSA-N 460.942 6.775 5 1 JKBF CC(C)=CCc1c(O)c2c(c3oc4cc5c(c(O)c4c(=O)c13)C=CC(C)(C)O5)C=CC(C)(C)O2 14586286 YXCXOSIXGSUDDV-UHFFFAOYSA-N 460.526 6.235 5 1 JKBF biogenic,in-vitro COc1ccccc1CCNc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134890 JFLQRDRBJKVSJA-JPYJTQIMSA-N 489.576 5.024 5 1 JKBF COc1ccccc1CCNc1ncc(C(=O)NCC2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82134976 JBKDDNIMHVNFIZ-UHFFFAOYSA-N 489.576 5.025 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc([N+](=O)[O-])c1 587135518 FOIDMKJNDWTLMZ-UHFFFAOYSA-N 451.767 5.666 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CC1 587271065 YXNXKHMWOPKLKE-UHFFFAOYSA-N 483.553 5.768 5 1 JKBF NC(=O)c1ccccc1Oc1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587643201 BSILFVBUTFGBFG-UHFFFAOYSA-N 452.264 5.397 5 1 JKBF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3c4ccccc4cc4ccccc34)n2)cc1 587923415 OQRBECKDAAMSEV-UHFFFAOYSA-N 470.572 9.071 5 1 JKBF CC(C)c1nc([C@]2(C)N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)co1 963013190 IDFZXTIOFLMDGX-SETSBSEESA-N 492.579 5.209 5 1 JKBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCCCC[N+](C)(C)C)[C@@H]1c1ccccc1C(F)(F)F 27206050 JCYWSLRBVSKYOR-HSZRJFAPSA-O 497.578 5.763 5 1 JKBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@H]1CC(=O)N([C@@H]2CCCC[C@@H]2C2CCCCC2)C1 40764248 WDHRTPQZLVZIPX-QRLJAKNQSA-N 496.695 6.939 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586985181 LAPGAGGPLNOUMA-QGZVFWFLSA-N 480.160 5.181 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CC1 587271002 WDQLMBKWLSPBGB-UHFFFAOYSA-N 458.543 5.642 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c1)CC2=O 587466533 MKOXRVQOJQKWSJ-QHCPKHFHSA-N 471.868 6.544 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H]2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 587576218 NKGVUILASBSGRE-KDSXSNECSA-N 476.441 5.267 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2Cl)N1 587697339 OQLFVBILLLVMNX-VERVWZFWSA-N 490.760 5.558 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2[N+](=O)[O-])(c2ccccc2)N1 587749856 ZTICPACDCGLWIB-URUSLNKFSA-N 467.338 5.988 5 1 JKBF Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 963018462 OCDZAAUQMYOIEL-LADGPHEKSA-N 489.915 5.279 5 1 JKBF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c12 2356737173 ZAXOSWZCOUYSSE-UHFFFAOYSA-N 464.558 6.513 5 1 JKBF COc1ccc([C@H](c2ccc(OCCN(C)C)cc2)c2c3ccccc3cc3ccccc23)cc1 28709324 CIHDOBRPBFRYRH-WJOKGBTCSA-N 461.605 7.122 5 1 JKBF CCCOc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 31458343 JKACQCORJBEAJE-UHFFFAOYSA-N 488.728 6.121 5 1 JKBF O=C(O[C@H]1C[N+]2(Cc3ccn(-c4ccccc4)n3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1 103278235 IUDARXCDKYQQGY-RZXUQNCUSA-N 472.653 5.751 5 1 JKBF CCCCOc1cc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2cc1Br 587260974 NLESJCUAUCYMKB-UHFFFAOYSA-N 450.289 5.097 5 1 JKBF CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)c(Cl)c([N+](=O)[O-])c3c1OCCO3)CC2=O 587460534 GYOCNTIGOAWUIH-NRFANRHFSA-N 468.289 5.212 5 1 JKBF Cc1ccc2nc3c([C@H]4NCC5(CCOCC5)c5cccc(C(F)(F)F)c54)cn(C)c(=O)c3cc2c1 962963669 WNMVPHHUNQSHSD-RUZDIDTESA-N 493.529 5.155 5 1 JKBF CC(C)=CCCC(C)=CCc1c(O)c2c(c3c(=O)c4cc(O)ccc4oc13)OC(C)(C)[C@H](O)C2 2356593317 GZOFBXLMLDTZJM-JOCHJYFZSA-N 464.558 5.667 5 1 JKBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 4295454 FHYBJRAFQCRGEB-RJGXRXQPSA-N 473.957 5.112 5 1 JKBF CC[C@H](C)CCCCCCCCCCC(=O)O[C@H](C)c1cccc2nc3c(C(=O)O)cccc3nc12 14451307 NYHKGAFIZKWATG-FCHUYYIVSA-N 492.660 8.033 5 1 JKBF biogenic CC(C)(C)c1cc(I)c2c(c1)C[N+](C)(C)C1(O2)C2CC3CC(C2)CC1C3 40720182 HPVCHOQNKMDANR-UHFFFAOYSA-N 466.427 5.710 5 1 JKBF C[C@@](C(=O)O[C@H]1C[N+]2(CCc3cccc(Cl)c3)CCC1CC2)(c1ccccc1)N1CCCCC1 73195756 DYNJLEKGXRTDOQ-NNMXADRKSA-N 482.088 5.436 5 1 JKBF Cc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)sc1C 105190627 SCKYNRXBTNZQTC-AACQNTANSA-N 463.607 6.275 5 1 JKBF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCC[N+](C)(C)Cc5ccccc5)[C@H]4CC[C@]3(CC1=O)C2 169329603 IXPRPCLKVZPTNA-AKVWENRDSA-N 480.713 6.178 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)cc(Cl)c2c2cc(C(F)(F)F)ccc12 169338933 JQJKCOSAIWQYJP-QHCPKHFHSA-N 486.405 8.254 5 1 JKBF Brc1cnc(NCc2ccccc2)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587000655 PBXRQYFQIHZYMI-UHFFFAOYSA-N 481.357 6.096 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587779404 SCAORTKTYSSICH-MCFWBGNESA-N 467.338 5.349 5 1 JKBF CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC([N+](=O)[O-])=C(O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 1772611329 RBZNPGNXLDUWQQ-KCBLQPAFSA-N 485.709 7.533 5 1 JKBF CC(C=CC=C(C)C=C[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C(=O)O 2356428276 FDJMTBRSNJXYKT-PDDLMNHVSA-N 464.646 6.837 5 1 JKBF C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C 82135530 ZWBVIHFANVZJGJ-IIPCHUTBSA-N 463.582 5.161 5 1 JKBF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)cc1 586930889 JTNYHSUFKLMHRW-UHFFFAOYSA-N 479.565 5.460 5 1 JKBF CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c([N+](=O)[O-])cccc6[nH]5)cc4)nc(O)c23)C1 587037907 KQOSTZRUQNCMSG-ZDUSSCGKSA-N 471.542 6.030 5 1 JKBF CCCCOc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1Br 587269365 BLWZHSPCYYMVIF-UHFFFAOYSA-N 467.323 6.142 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cccc(I)c4[nH]3)c2)cc1 587273044 ZFDCIOUQJSFEQB-UHFFFAOYSA-N 457.227 5.535 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3cc(F)ccc3[N+](=O)[O-])c1)CC2=O 587467773 RPAUTKNOILJRPL-DEOSSOPVSA-N 481.476 5.686 5 1 JKBF C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587532511 OHRFDTACDCQVDE-SFNQZPIRSA-N 454.522 6.016 5 1 JKBF C[C@@]1(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576728 PJQYQVHDTDOIQB-NAKRPHOHSA-N 483.476 5.756 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)N1 587816782 DFFNTXWHOMDEJR-GUNSETOZSA-N 484.412 7.600 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c(oc5ccccc54)c(N4CCN(CCO)CC4)c3c2)cc1 1857644082 ICKDQDWNBSEILY-VOTSOKGWSA-N 495.648 6.141 5 1 JKBF O=c1oc2cc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2c2ccccc12 103268645 ZZJABWDAKJDMEJ-UHFFFAOYSA-N 472.516 5.875 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587057971 YSUODFOXTQMLLT-JOCHJYFZSA-N 464.909 6.044 5 1 JKBF COc1cccc(-c2cc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc3c2oc2ccccc23)c1 587363193 RMCNQUOTIMFEPE-UHFFFAOYSA-N 488.499 8.024 5 1 JKBF C[C@@H](c1ccc([N+](=O)[O-])c(Cl)c1)[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962918355 IHYVOSVJDDOVGX-HVKUTMBPSA-N 482.920 5.364 5 1 JKBF COc1ccc(Nc2nc(-c3cccnc3)nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc23)cc1 1857635687 OZDMVMOWTKVPJP-UHFFFAOYSA-N 492.495 5.605 5 1 JKBF O=[N+]([O-])c1cccc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2nc3ccccc3s2)c1 82163626 OJGXAGQDZZPWDI-UHFFFAOYSA-N 483.509 5.669 5 1 JKBF CCC[N+]1(C/C2=C\CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 169304846 SIUACFTVVKAHHV-MSXFZWOLSA-O 473.681 6.710 5 1 JKBF COc1cc2nc(-c3ccc([N+](=O)[O-])cc3)n(-c3ccccc3Br)c2c2ccccc12 473104078 ODXAUMATQUNZTP-UHFFFAOYSA-N 474.314 6.525 5 1 JKBF O=C(Nc1ccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 587244671 RCWNGLOPUBVORS-UHFFFAOYSA-N 491.507 5.818 5 1 JKBF NC(=O)c1cc(N2CCC(c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263720 ZNRAALBAGXKJIQ-UHFFFAOYSA-N 498.568 5.231 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1Sc1nc3ccccc3s1)CC2=O 587495865 QEIKIFOKPQNOLE-NRFANRHFSA-N 492.578 6.720 5 1 JKBF O=C1C[C@@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587507774 SQTQUSVAJGKMGR-DEOSSOPVSA-N 451.425 6.251 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N1 587692568 BIFWLNJWKGBFBX-IPQOISQHSA-N 491.744 6.566 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587958170 BGPPMWIYVXABOD-RCHUDCCISA-N 492.620 8.234 5 1 JKBF O=c1nc(N2CCOCC2)oc2c1cc(-c1cccc3c1sc1ccccc13)c1ccccc12 1772649589 DLAPSKWRBGUELS-UHFFFAOYSA-N 464.546 6.213 5 1 JKBF Cc1cc(OCCN2CCCCC2)c2cc3c(OCCN4CCCCC4)cc(C)nc3c(C)c2n1 27322708 QTZGYEWTMLDMMQ-UHFFFAOYSA-N 476.665 5.438 5 1 JKBF CN(C)CCCn1c(=O)c2sc3cc(C(=O)Nc4ccccc4)ccc3c2c2ccccc21 27521056 ACMGIDBJZGMILS-UHFFFAOYSA-N 455.583 5.573 5 1 JKBF CCN(Cc1ccccc1)C(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 82214919 OKTKEENFMLQPSV-UHFFFAOYSA-N 467.529 5.326 5 1 JKBF CCOP(=O)(OCC)[C@H](c1ccc([N+](=O)[O-])cc1)N(C(=O)Nc1ccccc1)c1ccccc1 89464976 RVMQMGKBHNKUOG-HSZRJFAPSA-N 483.461 6.598 5 1 JKBF CC[C@@]1(C)C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586885948 APLBAAFEELTBAV-PPHZAIPVSA-N 454.482 5.749 5 1 JKBF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@@H]2CCCC[C@@H]21 586960708 NXKQSESASIFEGN-HSQYWUDLSA-N 483.597 5.354 5 1 JKBF C[C@@]1(c2cc(Br)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322621 NOFAXIXQWQSKEK-IRLDBZIGSA-N 472.266 5.476 5 1 JKBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587645100 VJUQXWFEMRBMLJ-DHIUTWEWSA-N 460.873 5.588 5 1 JKBF Cc1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 587749460 YEWGJRLEYOSZPY-PSLXWICFSA-N 471.326 6.221 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1 587750939 KPTYJSGIAKPPTB-QKFKETGDSA-N 471.326 5.699 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 587752686 SXZSGTOWVQDQPD-IHVLDONJSA-N 467.338 5.988 5 1 JKBF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 962967664 BSKQOYZHLBEXEK-YKSBVNFPSA-N 497.885 5.218 5 1 JKBF O=c1nc(N2CC[C@]3(CCN(CC4CCCCC4)C3)C2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857586774 INIJULYPBNFFSP-QFIPXVFZSA-N 496.555 5.066 5 1 JKBF CCN(Cc1ccccc1)C(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccc([N+](=O)[O-])cc1 82150299 VOEKGQNUVJGZLG-UHFFFAOYSA-N 495.583 5.677 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)cc(Cl)c2c2ccc(Cl)cc12 169338472 BECYRKKPXHQYRS-QHCPKHFHSA-N 452.853 7.889 5 1 JKBF O=C(O)c1cc2[nH]c(-c3ccoc3C3CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586900891 GEHQZLZSKYXXOD-UHFFFAOYSA-N 478.460 5.982 5 1 JKBF O=[N+]([O-])c1cnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 587075239 GWMQZMRBTCUILY-PTNGSMBKSA-N 453.889 6.222 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587115248 PPAQKGHSGFVLRC-UHFFFAOYSA-N 466.011 5.077 5 1 JKBF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)nc2n1 587115382 MGCUAZWHECVIEM-UHFFFAOYSA-N 470.864 5.590 5 1 JKBF COc1cccc(-c2cc(-c3cc(Cl)c(C)c([N+](=O)[O-])c3OC)nc3c2oc2ccccc23)c1 587358730 TWCGDUKGNRHNAX-UHFFFAOYSA-N 474.900 7.202 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(Br)cc1[N+](=O)[O-] 587858158 YOYCHZXMGIXMSJ-UHFFFAOYSA-N 457.111 5.916 5 1 JKBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 587937322 KFDOISFODBUYMH-NRFANRHFSA-N 486.568 6.858 5 1 JKBF CCCN1[C@@H](C)Cc2ccccc2[C@]12c1ccccc1-c1ccc3sc4ccccc4c4ccc2c1c34 963259674 SMEANPRZGAQRQA-GJRHBRKLSA-N 495.691 9.137 5 1 JKBF CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2cccc([N+](=O)[O-])c2)n1 82134789 IVCCKXMUXUZMDL-CQSZACIVSA-N 473.455 5.211 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NCCOc3ccccc3)ncc2-c2nc3ccccc3s2)cc1 82174429 HXYROYNAIHWQLE-UHFFFAOYSA-N 469.526 5.819 5 1 JKBF COC(=O)/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 238741983 SLFLEAITCHGGJK-YVCCSTNGSA-N 472.713 9.418 5 1 JKBF [O-][N@@+]12CCC[C@]3(O)CCCCCC[C@@H]4CCN5CCC[C@@H](CCCCCC[C@H](CC1)O[C@@H]32)[C@@H]5O4 299806924 JETHRNCQQWIYDV-UQHGTXTASA-N 478.718 5.463 5 1 JKBF Cc1c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980057 OIDPRJWWEXKMPP-UHFFFAOYSA-N 495.049 5.870 5 1 JKBF COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1[N+](=O)[O-] 587573933 DPMBPMYCKDIUGL-RPLLCQBOSA-N 497.459 5.457 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 587710097 FHNJIOXIBUWJQX-XTZNXHDOSA-N 461.253 5.507 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)N1 587841947 CQSPGWHZUPWSGZ-XUSGNXJCSA-N 477.355 6.005 5 1 JKBF COc1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc1Cn1cc(Cl)c([N+](=O)[O-])n1 963106295 KQWWAIQDVGYEDE-IBGZPJMESA-N 467.740 5.044 5 1 JKBF COc1cc(=O)c(C)c([C@@H]2CC(=CC(C)=CC(C)=CC(C)=Cc3ccc([N+](=O)[O-])cc3)CO2)o1 2356875809 QOHCHHZCWUSKRB-VWLOTQADSA-N 463.530 6.249 5 1 JKBF CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccc([N+](=O)[O-])cc1 40575631 LQCVAVYPEQSXJN-UHFFFAOYSA-N 490.603 7.488 5 1 JKBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)[C@H](NC(=O)C(C)(C)C)[C@@H]1CCCN1C3 73314102 COZXUAWZBMHRDO-BKMJKUGQSA-N 462.590 5.200 5 1 JKBF C[C@@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C 82147856 QNJMGVKWHUUZMU-UHVVYFEBSA-N 491.636 5.845 5 1 JKBF C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC(=O)O 96094933 CYPBWZKNUDFJJE-XSAUMEDDSA-O 456.644 5.181 5 1 JKBF in-vitro CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(C)cc2C)nc2c1cc(Cl)c1ccccc12 169330681 PWNTWTCBIUWJGC-PMERELPUSA-N 489.103 8.261 5 1 JKBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1ccc([N+](=O)[O-])cc1 587576953 QGQVDIADXATPIT-RPLLCQBOSA-N 485.448 5.804 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Br)c2[N+](=O)[O-])N1 587681433 XFMKEDOJHCSGAD-VVVCHXIZSA-N 458.125 5.057 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2)N1 587703394 YGUMHAJVSPPMLI-VERVWZFWSA-N 491.744 6.566 5 1 JKBF CCCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 13862624 SEDVEVIYNFFTPC-UHFFFAOYSA-O 489.724 7.180 5 1 JKBF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC[C@@H](O)C[N+](=O)[O-] 28760980 URVNPCFXXZJZGQ-SECOHXRXSA-N 459.715 8.667 5 1 JKBF C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 299806550 XOFUBFKYDOPJSX-XJFGTVJKSA-N 480.649 5.582 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc([N+](=O)[O-])c1 587136391 ZONCSJOXBDSUEY-UHFFFAOYSA-N 498.352 7.050 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c1)CC2=O 587466526 MKOXRVQOJQKWSJ-HSZRJFAPSA-N 471.868 6.544 5 1 JKBF O=c1c2cc(O)ccc2c2ccc3cc(O)ccc3c2n1-c1ccc(OCCN2CCCCC2)cc1 13558515 BOSCARPRZZGBJD-UHFFFAOYSA-N 480.564 5.573 5 1 JKBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149079 HCZSMGQWYVQWKZ-SFTDATJTSA-N 487.604 5.666 5 1 JKBF CC[N+](CC)(CC)C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 299821256 CAKIDXVQPQYVLV-KQVHQZGESA-N 458.707 5.601 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587053870 HIXCBZAEXADZGM-MRXNPFEDSA-N 491.253 5.804 5 1 JKBF COc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(Cl)c(C)c1[N+](=O)[O-] 587328458 UPROCXWJXYKVSU-GBXCKJPGSA-N 471.868 5.684 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 587575620 JUBNNEPHRNSHLQ-BVAGGSTKSA-N 455.422 5.796 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 587578692 WUOXVMJGXVFAPA-RPLLCQBOSA-N 453.450 5.400 5 1 JKBF Cc1ccc([C@]2(c3ccc(Cl)c([N+](=O)[O-])c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587697989 XSEUIIHEDRQLAH-QKFKETGDSA-N 489.772 6.284 5 1 JKBF COc1cccc(NC(=O)Nc2ccc(N=c3c4ccccc4[nH]c4cc([N+](=O)[O-])ccc34)cc2)c1 653774453 AGLJMYSSGICCDW-UHFFFAOYSA-N 479.496 6.114 5 1 JKBF O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2c1sc1nc(-c3cccs3)cc(C(F)(F)F)c21 1857635933 LGKBMROXRPJLQK-KRWDZBQOSA-N 476.461 5.806 5 1 JKBF O=C(O)[C@@H]1CCCCN1Cc1cc2cc3c(cc2c2cc(OCc4ccccc4)ccc12)OCO3 28706259 BDDNZLVIKIKTNJ-SANMLTNESA-N 469.537 5.740 5 1 JKBF CCCC[N+]([O-])(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 169335712 OOVZPNULTIFKQO-HHHXNRCGSA-N 487.471 7.671 5 1 JKBF O[C@H](C[C@@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(Cl)ccc12 169337852 MBWJNYQIIJECKU-MGPUTAFESA-N 475.860 7.250 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2cc(SC)ccc2c2cc(Cl)c(Cl)cc12 169338929 UEHZDRTXMOLMTJ-VWLOTQADSA-N 464.502 7.957 5 1 JKBF Cc1c(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979996 LZWBPFRRQSQUJU-UHFFFAOYSA-N 497.187 6.396 5 1 JKBF c1csc(SCc2c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)oc3ccccc23)c1 587010926 JVUFIUXHEPQKKM-UHFFFAOYSA-N 464.575 7.426 5 1 JKBF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1OC 587058283 SXCHBMKFCQQDHW-UHFFFAOYSA-N 452.854 5.061 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)N1 587695487 JZTXMULEXJCMPC-WIUDPPPLSA-N 495.732 5.945 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc2)N1 587745669 ICYZZELLNMKFOX-YTEVENLXSA-N 485.309 5.485 5 1 JKBF C[C@H]1C[C@@]2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)C(=O)O1 73137788 DPNPWGOZTQVNEE-AFJIDDCJSA-N 456.586 5.015 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 82174751 ATESBYQUWPCPAG-UHFFFAOYSA-N 495.564 6.463 5 1 JKBF Brc1ccccc1-n1cc(CN2CCN(c3nc4ccccc4c4ccccc34)CC2)nn1 103247833 ZTWFTDPXHKZXGN-UHFFFAOYSA-N 499.416 5.053 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc1Sc1nc2ccccc2s1 587037194 FTGQDXWVVXHDPE-UHFFFAOYSA-N 490.463 7.057 5 1 JKBF Cc1ccc([C@@]2(c3ccc(Cl)c([N+](=O)[O-])c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587697988 XSEUIIHEDRQLAH-PSLXWICFSA-N 489.772 6.284 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)N1 587752276 QJZDPSIDBDXXCV-LAJNKCICSA-N 461.287 5.292 5 1 JKBF CCC[C@H](CC1(c2nc3c4ccccc4c4ccccc4c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781763 NDABQFNWTDYFMQ-XMMPIXPASA-N 490.647 8.231 5 1 JKBF O=[N+]([O-])c1cccc(C(F)(F)F)c1[C@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962644975 RSHDUXWMTDJWGG-YADARESESA-N 453.464 5.450 5 1 JKBF Cc1c([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 963105512 MRNOFHAWYFNPDZ-FIPFOOKPSA-N 455.533 6.155 5 1 JKBF CC(C)(C)NC(=O)c1ccc([C@@H]2CC(=O)N(Cc3ccccc3[N+](=O)[O-])c3ccccc3S2)cc1 1857654980 MRELJOQFIQNSHE-DEOSSOPVSA-N 489.597 5.893 5 1 JKBF NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NC2CCCCCCC2)c([N+](=O)[O-])c1 15937524 OASRCDAJBDJIBO-JOCHJYFZSA-N 487.000 5.048 5 3 JKBF COc1ccc(-c2oc(=O)c3cc(OC)c(OC)cc3c2/C=C/c2ccc([N+](=O)[O-])cc2)cc1 61949491 UUVBFSDVANQMJI-AWNIVKPZSA-N 459.454 5.564 5 3 JKBF O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 3976398 RKAJVTVMICVPJE-GPQFNORQSA-N 457.594 5.518 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@H]2CCCC[C@H]21 587026029 JZZHEUUBSVUASQ-UIFIKXQLSA-N 467.598 5.796 5 1 JKBF O=c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587056522 NLFOIDMFSWAENH-UHFFFAOYSA-N 472.335 5.843 5 1 JKBF O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)nc3cccc1c23 587103782 JIBLCQBPMFDAPH-UHFFFAOYSA-N 476.463 6.740 5 1 JKBF CC[C@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)n1cc(I)c(C)n1 587185651 VWFKRVZKTIHMEY-LJQANCHMSA-N 466.326 5.978 5 1 JKBF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587418944 CCNWKDUOJQYNOK-UPCLLVRISA-N 486.307 5.978 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)N1 587743305 AJFCCIYYSWXUNY-XUSGNXJCSA-N 461.287 5.292 5 1 JKBF O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1NC(=O)c1sc2ccccc2c1Cl 13487485 WNZKUFMPFXHFKL-UHFFFAOYSA-N 486.336 6.621 5 1 JKBF C[N+]1(CCO[P@](=O)(O)OCCCCCCCCCCC=C2CCCCC2)CCCCC1 27866328 LTWXBGMVAOTXPH-UHFFFAOYSA-O 458.644 7.152 5 1 JKBF O=C(c1ccccc1)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccc([N+](=O)[O-])cc1 73129976 NEQSBPZDCBNIIP-HSZRJFAPSA-N 465.509 5.411 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 82163651 KNBBDHFGIUQFSF-UHFFFAOYSA-N 473.558 5.841 5 1 JKBF CO[C@@H]1Cc2c(csc2-c2ccc([N+](=O)[O-])cc2)C2(CCN(Cc3ccccc3)CC2)O1 95555237 SGUYVGWELHDJDJ-QHCPKHFHSA-N 450.560 5.360 5 1 JKBF CCCCCCOc1ccc(Br)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 586981778 OHSJMMFZLRUTJI-UHFFFAOYSA-N 473.414 8.258 5 1 JKBF Brc1cnc(NCc2ccccc2)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587000833 RWVVXFHBCNSVKM-UHFFFAOYSA-N 481.357 6.096 5 1 JKBF COc1cccc(-c2cc(CC(=O)Nc3cccc([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 587363119 PWHQDCHUNDYXIJ-UHFFFAOYSA-N 453.454 5.746 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3nc([N+](=O)[O-])c(Cl)c3C)c1)CC2=O 587460999 IODJWIXJZSOJKU-NRFANRHFSA-N 485.924 5.175 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586540 KNLMQEUDAWCUNO-LXFBAYGMSA-N 465.461 5.232 5 1 JKBF CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587644856 DTYOINXCGOAGHE-BJCBFJDFSA-N 474.567 9.003 5 1 JKBF Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587697858 UPSJOHVHKBAAQT-LFVRLGFBSA-N 489.772 6.284 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(C(=O)O)c3)cc2[N+](=O)[O-])N1 587745275 HDWUBVKZEXDEPE-YTEVENLXSA-N 485.309 5.485 5 1 JKBF O=[N+]([O-])c1cc(Cn2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc([N+](=O)[O-])c1 1857612955 COYGNSOKFKFNHS-UHFFFAOYSA-N 481.921 5.756 5 1 JKBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccc(O)cc2)cc1 13584481 BTDUKDRJFXGXRS-UHFFFAOYSA-N 469.526 5.448 5 1 JKBF O=C(O)c1cc2nc(-c3cc4c(s3)CCC4)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587036769 MUTGWMFZFYPKJY-UHFFFAOYSA-N 494.528 6.062 5 1 JKBF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC3 587104755 IJJYWXVPUNSIBI-KRWDZBQOSA-N 451.438 5.731 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 587573359 BIKXDSYBOBVBHX-GGXMVOPNSA-N 492.487 6.006 5 1 JKBF CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(O)c([N+](=O)[O-])c2)C2=C(O)CC(C)(C)CC2=N1 19202024 NWVCYBLISQPGQX-QFIPXVFZSA-N 454.523 5.621 5 1 JKBF Cc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Br 587055867 QXKBJQBZCVNITB-KRWDZBQOSA-N 465.735 5.323 5 1 JKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587072844 YGAGKXGFLOMHGW-BFJACADWSA-N 481.177 6.907 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)nc1C(F)(F)F 587117926 HNTZEGKLFWVLFX-UHFFFAOYSA-N 466.217 5.164 5 1 JKBF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1oc4cc([N+](=O)[O-])ccc4c1N)[C@@H](C2)C3=O 587424384 ZEGRQOVYURCGIF-AVRWGWEMSA-N 476.872 5.276 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 587750948 KSITTYXXAQNLTQ-MCMMXHMISA-N 457.299 5.912 5 1 JKBF COc1ccc2c(c1)[C@](Cc1ccc([N+](=O)[O-])c(Cl)c1)(c1ccccc1)N(C(C)C)CC2 962094109 WBSHEGUMNBLEEP-SANMLTNESA-N 450.966 6.010 5 1 JKBF CC[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962648806 XAJXDTLJRGBLRU-LXFBAYGMSA-N 452.558 5.477 5 1 JKBF CCOC(=O)[C@@]1(c2cc3ccccc3c3ccccc23)NCCc2cc(-c3ccccc3)ccc21 962661553 CVWXEZCJNAAHLZ-JGCGQSQUSA-N 457.573 6.612 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@@H](c1ccc(C(C)C)cc1)CC(=O)N3 1857757024 NBBDPSQHTMOALP-LJQANCHMSA-N 485.580 6.625 5 1 JKBF COc1cc(C(=C2SCCS2)c2nccc3cc(OC)c(OC)cc23)c([N+](=O)[O-])cc1OC 1619890 YPMQCKVVHQNNBX-UHFFFAOYSA-N 486.571 5.374 5 1 JKBF c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\CCN2CCCCC2)cc1 27652462 JNEYQPSGFJMPIP-QVAGMWBUSA-N 473.624 6.261 5 1 JKBF Cc1cc(Br)cc(C)c1Oc1cc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 53314686 LHKBTXNCBAVACB-UHFFFAOYSA-N 492.713 7.072 5 1 JKBF COc1ccccc1CNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174774 JTOWICMQWPSOMQ-UHFFFAOYSA-N 493.523 6.303 5 1 JKBF CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]3[C@@H]2C1 195514536 SCFFICSANODMCT-UWQIPQNWSA-N 471.557 5.909 5 1 JKBF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3c4ccccc4c4ccccc4c3[nH]1)C(=O)OC2 586915043 GQDPBRNOULBOTL-SFQUDFHCSA-N 492.575 6.684 5 1 JKBF COc1cc(Br)cc(C=O)c1OCc1nc2c3ccccc3c3ccccc3c2[nH]1 586979891 FTRFLGGZCGLUFF-UHFFFAOYSA-N 461.315 6.032 5 1 JKBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587050454 NVAQWTLLJLQXOE-ZHACJKMWSA-N 484.947 5.703 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)N1 587747211 NCWVKMYPVUFAMD-WHEQGISXSA-N 481.325 5.435 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)N1 587748271 TUEWZCNNJAMNSU-GTJPDFRWSA-N 461.287 5.292 5 1 JKBF CN(C)CCCNc1nc2cc([N+](=O)[O-])ccc2nc1NCc1ccc(Cl)c(C(F)(F)F)c1 1857593715 FYNMJFVHNPNXGE-UHFFFAOYSA-N 482.894 5.186 5 1 JKBF CC[C@H](C)CCCCC[C@H](C(=O)OC)[C@H](O)c1cccc2nc3c(C(=O)OC)cccc3nc12 2356644972 ZDFPHWFJRDWIPF-APJQNUAFSA-N 466.578 5.389 5 1 JKBF Nc1nc2c3nc(Nc4ccccc4)sc3nc(=S)n2c2sc(Nc3ccccc3)nc12 17220638 ATMIIBWMPPQCBP-UHFFFAOYSA-N 474.600 5.748 5 1 JKBF COc1ccc([N+](=O)[O-])cc1CSc1nc2cc(NC(=O)NC3CC3)ccc2n1C(C)C 28524247 UONAATHGPXKXBG-UHFFFAOYSA-N 455.540 5.110 5 1 JKBF O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@@H]1c1ccc2nc[nH]c2c1 28713112 PUMGXQBGJAEZHJ-IEXUWNMDSA-N 492.377 5.097 5 1 JKBF C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C 105175220 QNJMGVKWHUUZMU-POWYHZRHSA-N 491.636 5.845 5 1 JKBF O=c1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(Br)cn1Cc1ccccc1 587006996 WDOXKOJOCPGFOZ-UHFFFAOYSA-N 482.341 5.299 5 1 JKBF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587056805 UVSQBGHIPCYXHF-NSHDSACASA-N 489.271 6.618 5 1 JKBF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c(Cl)cc12 587078391 PICMCOHJYNHVAW-SNVBAGLBSA-N 462.289 5.977 5 1 JKBF CCCCN(Cc1nc2cncc([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587193375 ZVSKAQMMTZOQRL-UHFFFAOYSA-N 471.517 5.417 5 1 JKBF COC(=O)c1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c(F)c1Nc1ccccc1 587269477 DIXJGKKPYQJTIA-UHFFFAOYSA-N 483.459 5.869 5 1 JKBF Cc1ccc(C(=O)Nc2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1[N+](=O)[O-] 587508931 GQYYXAWXPDIRSJ-MUUNZHRXSA-N 470.525 5.915 5 1 JKBF CC(C)OC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587744798 FQVXPSRLSWTNCC-UNGHRUMOSA-N 491.357 5.281 5 1 JKBF O=C(Nc1cccc(-c2csc(Nc3ccccc3)n2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 15925040 WMCMIKLZMKKSLU-UHFFFAOYSA-N 484.459 6.733 5 3 JKBF C[N+](C)(C)c1ccc(CC(=O)OCCCCn2ccc3cc(OCc4ccccc4)ccc32)cc1 13524853 HNFVVDKLDDCYSV-UHFFFAOYSA-N 471.621 5.983 5 1 JKBF Cc1cc(C(=O)c2ccc(Cl)cc2)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1O 29239420 XMDJSVIJEROJSP-UHFFFAOYSA-N 478.810 5.764 5 1 JKBF CCCCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCOCCC)[C@@H]1c1cccc([N+](=O)[O-])c1 29345897 ALYWJJBDPOOUNS-COUQNMRISA-N 474.554 5.373 5 1 JKBF CC(C)CN(CC(C)C)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1 82149845 GGMVVZWZTNCBIJ-UHFFFAOYSA-N 496.011 6.072 5 1 JKBF CC(C)CCOc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1Br 587269824 HJALMIPMYXOGMB-UHFFFAOYSA-N 481.350 6.388 5 1 JKBF C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C 82163539 FMLQWWGQNCQFBY-XFSCSUFISA-N 485.613 6.811 5 1 JKBF c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/CCN2CCCC2)cc1 299822707 DDZAUBOEROFQSG-ZXPTYKNPSA-N 459.597 5.870 5 1 JKBF COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1c4ccccc4cc4ccccc14)[C@@H]23 299838885 WJZFMNPQSYXHNO-FXPGQOCSSA-N 470.657 6.011 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)cc(F)c2[nH]1 586947902 BHLVGGQKCZQYOJ-UHFFFAOYSA-N 460.874 5.040 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3ccc(Br)c(O)c3[nH]2)ccc1Sc1nc2ccccc2s1 587035237 OAYDZIRQWXATIO-UHFFFAOYSA-N 499.371 6.367 5 1 JKBF COC(=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 587038868 UGXQDKLUJHERDI-UHFFFAOYSA-N 462.512 5.686 5 1 JKBF O=C(COc1ccccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)Nc1ccccc1F 587155348 XJMNBLFKPYKMLF-UHFFFAOYSA-N 485.269 5.057 5 1 JKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)c1 587270653 PPZJIFQLHQINNX-UHFFFAOYSA-N 475.100 5.120 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)N1 587752866 UCDSLSWTQFZNGU-DMZKTXOQSA-N 481.325 5.435 5 1 JKBF C[C@@](C(=O)O[C@H]1C[N+]2(CCC3CCCCC3)CCC1CC2)(c1cccs1)N1CCCCC1 73160563 RKSCZVHQYFYRQE-FXIXRJGSSA-N 459.720 5.572 5 1 JKBF CCCCCc1nc(-c2cnc(NCc3ccc(C)o3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163447 KHZSMPPMEGNYRH-UHFFFAOYSA-N 461.522 6.261 5 1 JKBF O=[N+]([O-])c1cnc2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2c1 587037630 LKQWVCNVIQXJGN-UHFFFAOYSA-N 450.461 5.202 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)ccc1Sc1nc2ccccc2s1 587038845 UBSMBHVUBZCVOU-UHFFFAOYSA-N 488.472 6.798 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1Cl)CC2=O 587462005 MIJAOTVPSOQZOQ-XMMPIXPASA-N 452.894 5.398 5 1 JKBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c1)CC2=O 587465437 DUEMGKQDNYTJSW-SANMLTNESA-N 465.477 5.852 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 587571389 NRMSPRAZGYOGBQ-OZXSUGGESA-N 489.480 6.294 5 1 JKBF CCOC(=O)c1c(-c2c(Cl)cccc2[N+](=O)[O-])[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625469 IUTUCQKQGSKLRG-UHFFFAOYSA-N 480.748 6.611 5 1 JKBF Cc1ccc2[nH]c3ccccc3c(=Nc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)c2c1 653707144 DJDNTQARZWPUGC-UHFFFAOYSA-N 452.945 7.159 5 1 JKBF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)c1ccccn1 963243415 SHYNHRXVKJNXOX-KCWXNJEJSA-N 496.636 6.485 5 1 JKBF COC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O 2356770349 LTYWXDKNOZKXJR-LXLYTFERSA-N 478.673 6.878 5 1 JKBF CCOc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 31458337 AKKYNUXEVHQREW-UHFFFAOYSA-N 474.701 5.731 5 1 JKBF O=c1nc(-c2ccccc2)cc(-c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)[nH]1 49807599 SXJCXXRPGBSYHJ-UHFFFAOYSA-N 472.500 5.943 5 1 JKBF FC(F)(F)Oc1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc23)c(Cl)c1 73160847 FWRFIFBHBDJVET-UHFFFAOYSA-N 456.815 5.864 5 1 JKBF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134431 NFSPEYYCSADRKP-VGOFRKELSA-N 451.571 5.353 5 1 JKBF Cc1oc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174587 KFBVDPOIWZMCMS-HDICACEKSA-N 469.545 6.165 5 1 JKBF COc1ccc(Cl)cc1C(=O)Nc1ccc(C2=NN(C)[C@@H](c3ccccc3[N+](=O)[O-])C2)cc1 96934184 JQGNGHHBIIJDRD-JOCHJYFZSA-N 464.909 5.290 5 1 JKBF CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@@H](c3ccccc3[N+](=O)[O-])[C@H]12 103170828 AVXDWKDDLIXKGO-VABKMULXSA-N 488.598 5.572 5 1 JKBF CCOC(=O)c1c(C(=O)Nc2cccc(F)c2)nn(-c2cccc([N+](=O)[O-])c2)c1-c1ccccc1 169312893 SRKNDTPLYPXIRK-UHFFFAOYSA-N 474.448 5.016 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587265305 VUQUCSWRNOVZDA-LBPRGKRZSA-N 492.326 5.372 5 1 JKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1 587268713 BZWXLVGORCUSPE-UHFFFAOYSA-N 497.964 5.193 5 1 JKBF CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587726878 LXBNVFPPMXRXOA-ZAMGYDSWSA-N 488.332 5.503 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587733460 LNRYASIBQMWCON-ZAMGYDSWSA-N 489.316 5.838 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 587745478 HHTMQTDQASZCJB-LFPIHBKWSA-N 495.352 5.393 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc2)N1 587745661 ICYZZELLNMKFOX-IPQOISQHSA-N 485.309 5.485 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587958776 HXCGZBOJQOLSJV-XKPMTSFDSA-N 461.650 8.634 5 1 JKBF COc1cccc2cc3c(nc12)[C@]1(NCC3)c2ccccc2CC[C@H]1c1cc(Cl)c([N+](=O)[O-])cc1C 963033942 KSNMEIUXVFHNMB-IADCTJSHSA-N 499.998 6.233 5 1 JKBF COc1ccc2c(CN3CCC[C@H](CNC(=O)OC(C)(C)C)C3)cc3cc4c(cc3c2c1)OCO4 43077293 MYPJNZRDBUGAJO-GOSISDBHSA-N 478.589 5.467 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)cc1 587271364 CEVKAJYKVNRQTO-UHFFFAOYSA-N 478.224 6.712 5 1 JKBF O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587510647 BVRINIRNVYLSNQ-NDEPHWFRSA-N 483.568 5.507 5 1 JKBF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCn1c([N+](=O)[O-])cnc1C 587512350 NAMTZPWFUNALHQ-DEOSSOPVSA-N 491.544 5.163 5 1 JKBF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 587655762 QJSQJOMSHQVTNZ-UHFFFAOYSA-N 492.316 5.166 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 587694599 MJRZNNHWSJSBTP-FVINQWEUSA-N 465.706 6.033 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] 587860575 XLFJMRDJCNCOPI-LBPRGKRZSA-N 450.278 5.272 5 1 JKBF O=C(c1ccccc1)c1ccc2[nH]c(=O)c3ccccc3ssc3ccccc3c(=O)[nH]c2c1 1643650 KPBGGXUEWQCVBP-UHFFFAOYSA-N 482.586 6.126 5 1 JKBF Cc1c(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980032 NKJOCMYOAYNCET-UHFFFAOYSA-N 483.160 6.006 5 1 JKBF Brc1c(OCc2nc3c4cccnc4c4ncccc4c3[nH]2)ccc2ccccc12 586999905 DGWFTXDQLHNOHW-UHFFFAOYSA-N 455.315 6.154 5 1 JKBF O=C(Nc1cccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1)c1ccc(F)cc1 587163266 NWPYUJBBEUEINV-UHFFFAOYSA-N 455.243 5.292 5 1 JKBF Cc1c([N+](=O)[O-])cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1[N+](=O)[O-] 587335371 LGZSXMNOVOQEBN-URXFXBBRSA-N 466.421 5.239 5 1 JKBF Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340735 WPRNFPZJNJPLER-XNMGPUDCSA-N 470.456 5.324 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cc([N+](=O)[O-])ccc1Cl 587543685 LIILTUNJJWTAGS-QPPBQGQZSA-N 462.845 5.447 5 1 JKBF O=C1c2cccc3cccc(c23)N1CCCCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 1857568630 OSRVFCQUJFRRKE-UHFFFAOYSA-N 458.562 5.091 5 1 JKBF COC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1nc(NC3CC3)ncc12 66102251 YFGSHIDCHFKRSS-UHFFFAOYSA-N 453.424 5.301 5 1 JKBF Cc1ccc(CCNc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82135855 UYKVWWJJVIUKMM-UHFFFAOYSA-N 499.546 5.126 5 1 JKBF CCc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)s1 105198097 YGPFTUTYVKAOBE-PQOQACGUSA-N 463.607 6.220 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)c(F)cc2[nH]1 587054930 NGIFMTMIAHIJGE-INIZCTEOSA-N 469.698 5.153 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587056783 USYKFLFPDCVFKR-INIZCTEOSA-N 472.876 5.864 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)O2 587377441 IKLXLQMEEMWONY-XMMPIXPASA-N 463.877 5.376 5 1 JKBF CCn1cc([N+](=O)[O-])cc1[C@@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587677971 BLUIAVOGDUZCAW-XXFAHNHDSA-N 499.595 5.466 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 587847878 MIWRBBFDEMINHJ-GTJPDFRWSA-N 461.356 6.023 5 1 JKBF O=[N+]([O-])c1cn(CCCCCOCc2c(-c3ccccc3)nc3sc4ccccc4n23)cn1 1857751713 GPUYERRPOJJZDX-UHFFFAOYSA-N 461.547 5.708 5 1 JKBF CC(C)=CCc1c2c(c3oc4c(O)c5c(cc4c(=O)c3c1O)C=CC(C)(C)O5)C(C)(C)[C@H](C)O2 13460095 VBWKXAHEYPUSJZ-AWEZNQCLSA-N 462.542 6.109 5 1 JKBF biogenic COc1ccc(CCNc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82216926 WCJWRSYIHVAMQQ-KOSHJBKYSA-N 489.576 5.024 5 1 JKBF CCOC(=O)/C=C(\C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 103220897 GMOUDZKUTPVKQF-DHZHZOJOSA-N 473.787 5.683 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 587344209 WJSDTEQXDAUBNE-VPUSJEBWSA-N 453.425 5.723 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc13)CC2=O 587469402 DPBOLXFAILBAMR-QFIPXVFZSA-N 466.490 5.697 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587732284 JJJAYWAJTXVIMW-LLLXHDQJSA-N 485.328 6.127 5 1 JKBF Cc1ccc2oc3nc(C)c([C@@]4(C)N[C@H](C)Cc5ccc(F)c(Br)c54)cc3c(=O)c2c1 587778974 PNMCWOFBECUWNF-YMXBGEKHSA-N 481.365 5.657 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c(oc5ccccc54)c(NC[C@H]4CCCO4)c3c2)cc1 1857758032 KUEZXBHOTVBBSH-MHNQQFQPSA-N 466.606 7.617 5 1 JKBF CCCCC/C=C\C/C=C\CCCCCCC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OCC 26500402 FZPZIQNXNCVEQW-WEFXJNJVSA-O 490.686 7.045 5 1 JKBF COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3Cl)[C@H]1C2 73139905 ZKUAYZSWZMMLHE-YADARESESA-N 492.919 5.431 5 1 JKBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135322 ZVGWHKFXHKHZPG-IYWMVGAKSA-N 465.598 5.185 5 1 JKBF COc1ccc(-c2c3ccc4ccccc4c3nc3c2c(C)nc2c4ccccc4ccc32)cc1 103299557 ZLNKIAWKYDWECT-UHFFFAOYSA-N 450.541 8.227 5 1 JKBF Cc1ccc2c(ccc3nc(-c4ccccc4NS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)[nH]c32)n1 586948334 GXMSKIAJJYUFOC-UHFFFAOYSA-N 473.514 5.104 5 1 JKBF CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc([N+](=O)[O-])cc6[nH]5)cc4)nc(O)c23)C1 587040192 XPDIIAOJXALLFS-GFCCVEGCSA-N 472.530 5.425 5 1 JKBF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(Cl)c1 587158200 HAKHCTWJXKDRDO-VWLOTQADSA-N 454.892 6.620 5 1 JKBF O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341561 JUYYHMNJWFUFPP-NAKRPHOHSA-N 497.434 5.421 5 1 JKBF CCc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587342345 NDTOWPJAMSOKQI-VPUSJEBWSA-N 473.456 5.898 5 1 JKBF COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c([N+](=O)[O-])c1 587744280 CRWRASXZJQAXTC-WSVYEEACSA-N 461.287 5.389 5 1 JKBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(OC(C)=O)cc2)(c2ccc([N+](=O)[O-])cc2)N1 962947946 KMHYYJMVKTZELH-HRFSGMKKSA-N 455.514 5.218 5 1 JKBF COc1ccc2cc(CCC(=O)C[C@@H](Nc3cc(C)on3)c3ccc([N+](=O)[O-])cc3)ccc2c1 73296144 CWSCNIIYAUBXCP-RUZDIDTESA-N 459.502 5.798 5 1 JKBF C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C 105175171 JFAFVONXEFSODO-VIDZHXABSA-N 463.582 5.207 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586969232 PIYPNZXFMYVMRF-UHFFFAOYSA-N 451.302 5.557 5 1 JKBF Cc1ccc(-c2csc3ncnc(SCc4nc5cc([N+](=O)[O-])c(Cl)cc5[nH]4)c23)cc1 587038217 NFEHILURNDZOCC-UHFFFAOYSA-N 467.963 6.397 5 1 JKBF CCCC(O)(CCC)[C@H](Cc1c[nH]c2ccccc12)NCc1c2ccccc2cc2ccccc12 71318176 YVZHFGKNXNWFHO-HKBQPEDESA-N 464.653 7.507 5 1 JKBF CC(C)CN(CC(C)C)C(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135965 XPYNKKFRHGDGRU-UHFFFAOYSA-N 467.614 5.798 5 1 JKBF CCCCCCNC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169338925 WGVXWSMAEFXFRC-QFIPXVFZSA-N 457.458 7.234 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)N2 587030154 AACSUOJWLRYCBS-DKBJHAQFSA-N 494.396 5.361 5 1 JKBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(Br)c(Br)cc3[nH]2)ccc1Cl 587047128 CEQPRLZRHDSSPF-DUXPYHPUSA-N 457.509 5.820 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc([N+](=O)[O-])c1 587135574 IBIWHMFJSGCYDB-UHFFFAOYSA-N 461.678 6.064 5 1 JKBF CCNC(=O)c1ccc(-c2ccc(Cc3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1F 587147950 VOXJKUNCLOXNAI-UHFFFAOYSA-N 475.527 5.806 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(C)cc3[N+](=O)[O-])c(OC)c1)CC2=O 587472366 HOWNDUQPZLXUEH-RUZDIDTESA-N 477.513 5.855 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccccc3Cl)c2c1 587618781 UWMGLHSIBHBUCO-UHFFFAOYSA-N 471.922 5.514 5 1 JKBF COc1cc([C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)ccc1OCc1ccc(C)cc1[N+](=O)[O-] 963611339 QWTUZYNWVGMHJD-XGCWNURASA-N 478.545 5.132 5 1 JKBF CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34 26472259 QQXNATNBNWNTAN-VWLOTQADSA-N 496.588 5.518 5 1 JKBF CCOc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163749 HPHGUFNKJUQXRT-UHFFFAOYSA-N 497.580 6.382 5 1 JKBF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)CCCC3(C)C)C(C)(C)CCC1 85489889 UPXFGYVZZILJIV-RDASVCAUSA-N 486.784 10.315 5 1 JKBF biogenic,in-vitro O=Nc1c([C@H]2C(=O)Nc3c(Br)cc([N+](=O)[O-])cc32)[nH]c2ccc(Br)cc12 169722505 SSCMCPNEHSIBSG-LBPRGKRZSA-N 480.072 5.083 5 1 JKBF O=C(O)c1cc(-c2nc(-c3ccc(Br)cc3)cs2)ccc1-c1ccccc1[N+](=O)[O-] 205009045 NWMKMUSZICCRJT-UHFFFAOYSA-N 481.327 6.513 5 1 JKBF CC[N+](CC)(C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(C)C)C[C@H]3CC[C@@H]12)C[C@H]1CO1 299840607 VOGJOTZFTRGYEH-UYSSWKMSSA-N 492.765 5.441 5 1 JKBF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1C 587165422 BDBVFSBWLOKINY-UHFFFAOYSA-N 493.542 5.995 5 1 JKBF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587238042 AHRAZZJGHZUVOI-WHNLFSPBSA-N 473.577 5.214 5 1 JKBF COC(=O)c1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c(F)c1Nc1ccccc1 587269973 UQCHQYHKZBIDON-UHFFFAOYSA-N 475.480 5.408 5 1 JKBF COc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c(C)c1[N+](=O)[O-] 587691093 BWEPCWCAVFBQGN-AYLIAGHASA-N 457.727 5.265 5 1 JKBF Cc1c(F)ccc2c1[C@@](CCCCCC(=O)O)(c1cc3ccccc3c3ccccc13)NCC2 962147371 OYXCHYWUVNSIGX-SSEXGKCCSA-N 455.573 6.865 5 1 JKBF COc1cc2c(cc1OC)[C@](C)(COc1ccc3c(c1)oc(=O)c1ccccc13)N(C)[C@H](C)C2 962568925 LRGLPFKUHOLQDC-UULLZXFKSA-N 459.542 5.134 5 1 JKBF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 963233185 TVOJYAXEXQAVII-WIOPSUGQSA-N 471.538 5.124 5 1 JKBF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC(C)(C)c1ccc([N+](=O)[O-])s1 1772613392 QJSNTNKGVNFKDG-UHFFFAOYSA-N 487.530 5.236 5 1 JKBF Cc1ccc(CCNc2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82134931 GQMDQOAFZHWIPY-CYFREDJKSA-N 473.577 5.323 5 1 JKBF COc1oc([C@H]2C[C@@]3(CO2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@]2(C)C=C(C)C=C(C)[C@@H]32)c(C)c(=O)c1C 83922619 DXCYJJKWPZZHNZ-NPYOGTTKSA-N 477.557 5.947 5 1 JKBF in-vitro CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)cc(Cl)c2c2cc(Cl)ccc12 169337999 JPOUNGCMTRXTDM-QHCPKHFHSA-N 452.853 7.889 5 1 JKBF COc1c(OCC=C(C)C)cc2oc3cc(O)cc(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C 238732878 ZOXSAWIMDZFTJC-VXLYETTFSA-N 478.585 6.946 5 1 JKBF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(Cl)c1 587158199 HAKHCTWJXKDRDO-RUZDIDTESA-N 454.892 6.620 5 1 JKBF CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328482 USGRWJSSTCJCTO-DHLKQENFSA-N 499.878 5.301 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 587339069 DORCBGWSMXFTCP-JDXGNMNLSA-N 497.522 6.717 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587733916 PEMFFAFLKZDUQU-YTEVENLXSA-N 475.289 6.051 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 587748339 UQBRFWDEYYEYFX-MYYSRTQBSA-N 498.352 5.303 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 587753721 WNMYBOXFQXIWIK-RKNYENMMSA-N 496.336 5.651 5 1 JKBF CCCCC(CCCC)CCCCCCOC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC 13602626 GSDOXSAJXYAHMM-DEOSSOPVSA-O 482.663 5.805 5 1 JKBF Cc1ccc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@H]2CCCCN2)c(C)c1 29415701 YVLQUWQEJHKSBM-MRXNPFEDSA-N 455.942 5.697 5 1 JKBF COc1cc2cc(C(=O)C[C@@H]3CCCC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC 36286914 MKTGQOMRSQXJEL-HFLPEKOISA-N 452.640 6.328 5 1 JKBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccc(OCc4ccccc4)c3)cc1)C2 45334374 JXZTXVYIOCQUKK-DEOSSOPVSA-N 457.486 5.015 5 1 JKBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82136046 FETMTHJWZXKTSR-UHFFFAOYSA-N 459.550 5.093 5 1 JKBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82150194 NRDMYUUSXCARPU-UHFFFAOYSA-N 459.550 5.093 5 1 JKBF Cc1ccc(-c2ccc([C@H]3N(C)c4ccccc4C(=O)N3c3ccccc3)s2)cc1[N+](=O)[O-] 95581887 YNDQNQSZBSPLEE-VWLOTQADSA-N 455.539 6.427 5 1 JKBF CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]12 103170838 GZUGYMKFGRQTQQ-VABKMULXSA-N 488.598 5.572 5 1 JKBF Cc1cc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880455 ZHVJJTNCHPSZOA-UHFFFAOYSA-N 452.264 5.574 5 1 JKBF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)[C@@H]1c1ccc(F)cc1 587342424 NJMPKFFDHYPBQD-LEAFIULHSA-N 495.466 5.390 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@](COc1ccc([N+](=O)[O-])cc1)(c1ccc(Br)cc1)O2 587372275 OYFLBOHMDVAXDQ-QHCPKHFHSA-N 483.318 5.188 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SCc2ccccc2)c([N+](=O)[O-])c1 587615586 YSOSRIFDMSBUFB-SHQCIBLASA-N 485.517 6.296 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2[N+](=O)[O-])N1 587681912 SINGRKSXJKABST-VVVCHXIZSA-N 458.125 5.057 5 1 JKBF COc1ccc2c(-c3ccc(C(F)(F)F)cc3)c3cc4cc(C(F)(F)F)ccc4cc3nc2c1 1772617979 SRIUAUFKSWLTGW-UHFFFAOYSA-N 471.400 8.254 5 1 JKBF CCCOCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163423 KKVYGQNTFMQLHH-UHFFFAOYSA-N 475.574 6.071 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 586949144 RGSMIGPUXBVMGP-UHFFFAOYSA-N 464.547 5.545 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)c(Br)cc2[nH]1 586969513 USBGIPUJOKAKCT-UHFFFAOYSA-N 485.201 6.411 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1c(OC(=O)c4cccc([N+](=O)[O-])c4)ccc4ccccc14)[C@@H](C2)C3=O 587431940 IFYSQCLSUGENMR-KDYSTLNUSA-N 481.460 5.465 5 1 JKBF COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1[N+](=O)[O-] 587745911 ILSWTAFCSWJJPN-JCQPUDPBSA-N 499.336 5.574 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)N1 587843573 IQUOSRZPDNHCFZ-WYRIXSBYSA-N 475.343 5.061 5 1 JKBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(Sc3cccc(Cl)c3)cc(Cl)cn12 1857562229 WEBUTDFDHHTURV-UHFFFAOYSA-N 494.381 5.674 5 1 JKBF Cc1cc(C)cc(-c2c(OCC[C@@H]3CCCCN3C)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 26577343 WCHAXXSYDDEDIK-SFHVURJKSA-N 469.969 5.627 5 1 JKBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135953 GSQMRTJHVMFCEG-UHFFFAOYSA-N 473.577 5.847 5 1 JKBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148455 SFTNOSZRULDTTK-RBUKOAKNSA-N 465.598 5.695 5 1 JKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2cc(Br)ccc12 169338898 GJNBOZXUYBQNPG-QKKBWIMNSA-N 453.207 6.628 5 1 JKBF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)ccc21 473099541 GDRRVUZYFAHWQG-MHZLTWQESA-N 487.535 5.302 5 1 JKBF CC1=NC(C)=C(C(=O)OC(C)C)[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)/C1=C(/O)OC(C)C 621475065 OCTSMRUUQQDNCD-KXNAUXDSSA-N 468.506 5.833 5 1 JKBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963449707 RVZNVEAJRZPSCM-JYFHCDHNSA-N 494.507 5.107 5 1 JKBF O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nc3cc(C(F)(F)F)ccc3s2)c1 1857754761 GFVKKBLUPXZHPL-UHFFFAOYSA-N 458.421 6.534 5 1 JKBF CC(C)=CCC[C@]1(C)C=Cc2c(c(O)cc3oc4cc(O)c(CC=C(C)C)c(O)c4c(=O)c23)O1 13409899 QAHKVGNDCXMIJR-MUUNZHRXSA-N 462.542 6.482 5 1 JKBF biogenic COC(=O)CCCCC(=O)Nc1ccc2c3cccc4c3c(c3ccccc3n4C)[n+](C)c2c1 29135386 QNFWLCTUIQTBEC-UHFFFAOYSA-O 454.550 5.134 5 1 JKBF CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc([N+](=O)[O-])cc2n1Cc1ccccc1 96172137 FVDGXHDNTLELEU-UHFFFAOYSA-N 463.484 5.929 5 1 JKBF c1ccc2c(c1)c[n+](Cc1ccc(C[n+]3cc4ccccc4c4ccccc43)cc1)c1ccccc21 169336920 UCIFQDWVLNBKPM-UHFFFAOYSA-N 462.596 6.971 5 1 JKBF CCOc1cc(/C=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(Br)c1OC 586977353 FPUBWRFVKZUJMJ-HJWRWDBZSA-N 475.346 6.000 5 1 JKBF O=C(c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662047 WVBORABTVOYNLB-UHFFFAOYSA-N 495.466 5.378 5 1 JKBF CCCNc1cc(OCC)c(Br)cc1-n1c(OCC)cc([C@@H](C)[N+](=O)[O-])c1OCC 587937904 WFNVVNGQZSTJPI-CQSZACIVSA-N 484.391 5.596 5 1 JKBF CC(C)(C)c1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc32)cc1 13812808 XKNWWXYUMFBFGI-UHFFFAOYSA-N 466.114 7.907 5 1 JKBF CNC(=O)Oc1cccc(CN(C)CCCCCCOc2ccc3c(=O)c4ccccc4oc3c2)c1 13864706 ZCJVEAQKQPJJOE-UHFFFAOYSA-N 488.584 5.736 5 1 JKBF Cc1nc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174806 IJRZPWLDVUKUHH-UHFFFAOYSA-N 485.491 6.423 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 587748583 ABOXUEQBRMITGE-BSNNYGBQSA-N 483.293 5.001 5 1 JKBF O=C(O)c1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3c(Cl)cc(Cl)cc3c2=O)cc1 58583779 JFFQDELRJWFZIL-XCVCLJGOSA-N 482.279 5.469 5 1 JKBF CC(C)(C)OC(=O)N1CC[C@H](CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84710547 UYNQMTDBYISFRT-QGZVFWFLSA-N 466.003 5.569 5 1 JKBF COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)c([N+](=O)[O-])cc1OC 103994158 PGWMRILHWCLZQC-OAQYLSRUSA-N 458.511 5.008 5 1 JKBF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587086312 FIAAQRKUXTWMLH-VOTSOKGWSA-N 473.276 5.410 5 1 JKBF C[C@H](CC(=O)O)[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325006 BNDWGQYOJOAUEL-LGAWEZIESA-N 499.878 5.458 5 1 JKBF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc(Cl)c([N+](=O)[O-])n1 587499100 LEPZCWNZPHBXRQ-JOCHJYFZSA-N 467.909 5.087 5 1 JKBF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cccc([N+](=O)[O-])c1 587513948 VUOHGUUKFMBHNV-AREMUKBSSA-N 459.498 5.768 5 1 JKBF CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568110 KVMRBCDWPSPBKK-SQHAQQRYSA-N 486.455 5.387 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 587576180 NFLMCZBXDFIEMI-LBNVMWSVSA-N 493.475 5.277 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c3ccccc3cc3ccccc23)(C(F)(F)F)N1 587709328 KYACRYAMSBBZQO-BSEYFRJRSA-N 488.322 7.235 5 1 JKBF Cc1ccc2oc3nc(C)c([C@@]4(C)N[C@@H](C)Cc5cc(Br)c(F)cc54)cc3c(=O)c2c1 587777490 IEJSMHHEYDCZSP-ZJWNCGCPSA-N 481.365 5.657 5 1 JKBF C[C@@H](OC(=O)c1ccccc1)c1nc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1 1772604107 GGEPIDGPBNNBEQ-SECBINFHSA-N 456.332 5.822 5 1 JKBF C[C@@H]1CCCCN1CCCN(Cc1c2ccccc2cc2ccccc12)C(=O)c1ccccc1Cl 45316880 YFWMUTJNTUPSOG-HSZRJFAPSA-N 485.071 7.553 5 1 JKBF COc1c(O)cc2oc3cc(OC(C)=O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 71281859 XBUXBXPGTBOXOX-UHFFFAOYSA-N 452.503 5.309 5 1 JKBF COc1ccccc1CCNc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134898 JFLQRDRBJKVSJA-FDDCHVKYSA-N 489.576 5.024 5 1 JKBF C[C@H]1[C@@H](Nc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C 82214784 HFUOCTHRQDYNDP-AFLQADGUSA-N 491.636 5.843 5 1 JKBF CCC[P@@](=O)(Oc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1)OC(C)C 169342864 FVVHUJCPPABXQY-YTTGMZPUSA-N 456.439 6.202 5 1 JKBF O=[N+]([O-])c1cnc2[nH]c(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2c1 586970646 NLBLWHCJRBXNNV-UHFFFAOYSA-N 466.566 6.134 5 1 JKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587069274 DNUUCCKQRSPVDA-FMTSCHLSSA-N 459.380 7.332 5 1 JKBF Nc1c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2cc([N+](=O)[O-])ccc12 587574340 FKCFAYSHZLLFTJ-LXFBAYGMSA-N 494.459 5.534 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@@H](c1ccc(Cl)cc1)CC(=O)N3 1857756982 BPANDEAEMACEOI-MRXNPFEDSA-N 477.944 6.155 5 1 JKBF COc1ccc2c(ccn2CCCCCCCCCOC(=O)Cc2ccc([N+](C)(C)C)cc2)c1 26997017 RIYWZDAKQMOGGC-UHFFFAOYSA-N 465.658 6.363 5 1 JKBF O=C(c1sc2ccccc2c1Cl)n1nc(-c2ccc([N+](=O)[O-])s2)cc1-c1ccccc1 49050869 WHIYZKZTSZXVCK-UHFFFAOYSA-N 465.943 6.743 5 1 JKBF CC1CCN(C(=O)c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)CC1 82135838 DWVMRPFJSWQCMA-UHFFFAOYSA-N 499.493 5.555 5 1 JKBF CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174202 RHYQUQSQMCEDOY-HTAPYJJXSA-N 463.582 6.739 5 1 JKBF O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 96272160 MMRBDGSWRBYYKO-GFCCVEGCSA-N 489.372 5.123 5 1 JKBF CS(=O)(=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 587039588 ZFFLRNXOBMGAEP-UHFFFAOYSA-N 482.568 5.303 5 1 JKBF CCOC(=O)c1cnn(-c2ccc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)cc2)c1C(F)(F)F 587114839 JSLXJCPGPIRLBE-UHFFFAOYSA-N 479.802 5.173 5 1 JKBF O=C1C[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587507356 CKNZCWXHOMEQMU-LJAQVGFWSA-N 497.595 5.502 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)N1 587747212 NCWVKMYPVUFAMD-XMHCIUCPSA-N 481.325 5.435 5 1 JKBF Cc1ccc(-c2nn(Cc3ccccc3)cc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 1772632090 MMYNNWYDZNRZRW-UHFFFAOYSA-N 466.548 6.547 5 1 JKBF CC(C)=CCC[C@@](C)(O)[C@H]1Cc2c(c(CC=C(C)C)c(O)c3c(=O)c4cc(O)ccc4oc23)O1 1857645745 DKJQBBIHCDRRLL-SKCUWOTOSA-N 464.558 5.667 5 1 JKBF C[N+](C)(C)CCNC(=O)/C=C/CCCCCCCCCC=C(Br)Br 53243499 UFXMAXKBVZLQAX-FYWRMAATSA-O 467.310 5.507 5 1 JKBF Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82174808 HZKBTNSNZOKRDL-UHFFFAOYSA-N 477.524 6.603 5 1 JKBF CC[C@@H](C)NC(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 105176617 UOHCGRZDILBMAC-DZHLENKCSA-N 451.571 5.063 5 1 JKBF CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]2C1 299816867 VXTVSKBDSNWWFW-FRBFLBBZSA-N 471.557 5.909 5 1 JKBF O=[N+]([O-])c1ccc(C2=NN[C@H](c3ccc(OCc4csc(-c5ccccc5)n4)cc3)C2)cc1 299850196 BGBZINBFXCVTRB-DEOSSOPVSA-N 456.527 5.736 5 1 JKBF O=[S@@](CCCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(Br)cc1 586961663 XKPWNYJIMBWZGG-LJAQVGFWSA-N 465.376 5.162 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)cc1 587271903 LDWQCVYSZWNUFH-UHFFFAOYSA-N 492.660 5.583 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)N1 587816783 DFFNTXWHOMDEJR-HYDGNGQDSA-N 484.412 7.600 5 1 JKBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(OC(C)(C)C)cc(-c2ccccc2)c1O 587943050 JXERQGHGHXGTSU-UHFFFAOYSA-N 463.303 6.145 5 1 JKBF COc1ccc([C@@H]2CC(=O)Nc3c2c2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc32)cc1 1857757201 HMFUPQOHUXWTEA-KRWDZBQOSA-N 473.525 5.510 5 1 JKBF O=C1c2ccccc2[C@](O[C@H]2CC[C@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 35880582 RTMYOLAVEDNGOT-AOJNWGRGSA-N 478.932 5.035 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586986028 UNIOAUIFRYSMEX-INIZCTEOSA-N 480.160 5.181 5 1 JKBF Cc1ccc(-c2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c3cccc(Cl)c3n2)o1 587083108 GVTJMYNKXYHLBM-UHFFFAOYSA-N 461.912 7.096 5 1 JKBF C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612552 WCHUJGCJTZAKCC-PPUQQMLPSA-N 494.499 5.840 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587731874 LQGPXZFNEDABRO-VERVWZFWSA-N 475.289 6.051 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 587751676 NNNQDKXVBFSCNO-BGJPBQGDSA-N 483.293 5.001 5 1 JKBF CCOC(=O)[C@]1(c2cc3ccccc3c3ccccc23)NCCc2cc(-c3ccccc3)ccc21 962661575 CVWXEZCJNAAHLZ-YTTGMZPUSA-N 457.573 6.612 5 1 JKBF COc1cc(/C=C\c2ccc(OC)c3c2O[C@H](c2ccc([N+](=O)[O-])s2)O3)cc(OC)c1OC 1911582383 DGDZQGXXRNJVKO-UZQCKINESA-N 471.487 5.331 5 1 JKBF COc1cc2oc(=O)ccc2cc1[C@H](C=C(C)C)c1c(O)cc2c(c1O)c(=O)c1ccccc1n2C 13307623 BDUZKTBBDMOMAX-IBGZPJMESA-N 483.520 5.316 5 1 JKBF biogenic Cc1ccc([N+](=O)[O-])c(CO[C@@]2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)c1 35064380 ALSIMOQTEVUCJZ-LJAQVGFWSA-N 464.521 5.977 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82148828 AJZNYLYCDINZFF-OYRHEFFESA-N 487.604 5.505 5 1 JKBF CCCCCc1nc(-c2cnc(NCCCOCCC)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163419 MMMKHTIFQJGUPM-UHFFFAOYSA-N 467.570 5.977 5 1 JKBF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1Cl 586963346 IPWAUNLWYLWYHB-UHFFFAOYSA-N 499.987 5.444 5 1 JKBF Fc1ccc(Br)c(-c2nnc(CCc3nc4cc5nc6ccccc6nc5cc4[nH]3)o2)c1 587158397 XRZWYYLPMZBBGX-UHFFFAOYSA-N 489.308 5.396 5 1 JKBF Ic1cnc2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cn12 587187155 DFWAUHMMBQQFPO-UHFFFAOYSA-N 460.278 5.789 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1)CC2=O 587470697 GQGKYGZEEYDXGM-QFIPXVFZSA-N 453.491 6.250 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OCc3ccccc3)cc1[N+](=O)[O-])CC2=O 587473102 PWVDAWXVBCOTCR-HSZRJFAPSA-N 463.486 5.547 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 587545027 GAGSXBDAEGKPLZ-WIOPSUGQSA-N 493.855 5.829 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 587573441 BUYBTWAQJMXQMF-RPLLCQBOSA-N 469.449 5.582 5 1 JKBF O=[N+]([O-])c1cncc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 587075842 KOLZNCBLIYBIDX-PTNGSMBKSA-N 453.889 6.222 5 1 JKBF COc1cc(OCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)ccc1[N+](=O)[O-] 587262945 JLTNULSJKADMOF-UHFFFAOYSA-N 486.406 5.330 5 1 JKBF O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)[C@@H]1c1ccc(F)cc1 587340888 IGZVEEGNQTWATI-RSXGOPAZSA-N 458.445 5.585 5 1 JKBF O=[N+]([O-])c1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1F 587783192 ZGJHMOHALYYEDG-UHFFFAOYSA-N 453.473 6.447 5 1 JKBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)c1cc([N+](=O)[O-])ccc1-c1nn(C)c(C(C)(C)C)c12 962955697 XZFDPTSEEXZBNA-RXAIFQJESA-N 455.562 5.304 5 1 JKBF Cn1cc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c2nc3ccccc3cc2c1=O 963817777 PUUISCIVOJOPDO-LJAQVGFWSA-N 486.575 5.382 5 1 JKBF COc1cccc(CCn2c(N)c(-c3cc(Cl)cc(Cl)c3)c3ccc([N+](=O)[O-])cc3c2=O)c1 1652629 OVJCLVWMKFHIHM-UHFFFAOYSA-N 484.339 5.717 5 1 JKBF CSc1nc([N+](=O)[O-])cn1C[C@H](OCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 66097973 CLHKEYWOWWDRHS-KRWDZBQOSA-N 472.781 6.432 5 1 JKBF COc1cccc(-c2cc(-c3cc(Cl)cc([N+](=O)[O-])c3OC)nc3c2oc2ccccc23)c1 587358688 SQNHLPDOHGRCNI-UHFFFAOYSA-N 460.873 6.894 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c([N+](=O)[O-])c2)N1 587681087 WDAAEVFGRDOOPY-VVVCHXIZSA-N 458.125 5.057 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)N1 587748336 UPYVEUVQPDLZKK-XMHCIUCPSA-N 485.309 5.339 5 1 JKBF CC1(C)C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857613649 CHCSARAOOUZFEO-UHFFFAOYSA-N 461.318 5.384 5 1 JKBF CC[N+]1(CC2=CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 18282714 GLDYHLSKVOYFPU-UHFFFAOYSA-O 459.654 6.320 5 1 JKBF O=C(OCc1ccc2c(c1)OCO2)[C@@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 26751651 WDCUHHNJZSWUFN-NDEPHWFRSA-N 491.499 5.721 5 1 JKBF CCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 82147749 WHSGHLCMXHRJAG-JHOJWFKBSA-N 451.571 5.064 5 1 JKBF CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1 82193369 HSZAMHVNNBGXKK-AEFFLSMTSA-N 494.683 5.593 5 1 JKBF CCCn1cnc2cc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc(Br)c21 587003693 LTCLBBOVTGBFTE-UHFFFAOYSA-N 479.132 5.423 5 1 JKBF Cn1ccnc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325229 CWROOZMGVFJXKS-WIOPSUGQSA-N 493.878 5.129 5 1 JKBF COc1cccc(-c2cc(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587362377 IKZPISTXLDHDOC-UHFFFAOYSA-N 470.481 6.173 5 1 JKBF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(F)(F)F 587711440 KFGSTEWRHQNADZ-NIVTXAMTSA-N 493.251 5.070 5 1 JKBF O=C(NC1CCCCC1)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774535 HJCALJNWHPTMHW-UHFFFAOYSA-N 469.881 5.361 5 1 JKBF CCN(CC)CCOc1ccc([C@@H](c2ccc(O)cc2)c2cc3ccccc3c3ccccc23)cc1 28709350 FVAUFGXZKUEVAE-MGBGTMOVSA-N 475.632 7.599 5 1 JKBF CC(C)(C)c1ccc(C(=O)OC[C@](C)(O)c2cc3cc([N+](=O)[O-])c(C(F)(F)F)cc3[nH]2)cc1 34801524 RCRCQCOQIYUMJI-QFIPXVFZSA-N 464.440 5.457 5 1 JKBF Cc1ccc(CCNc2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82148486 ROKBWUWAIQXXKX-YADARESESA-N 473.577 5.323 5 1 JKBF CCN(CC)CCCNc1cc(Cl)cc2nc3c4ccccc4n(CCN4CCOCC4)c3cc12 299860054 GKNPQZNTAWWEKX-UHFFFAOYSA-N 494.083 5.472 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586960134 VMUSSHFHKKGNIC-GDLZYMKVSA-N 470.348 5.272 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F 587118563 OVRHOKABSAAOEO-UHFFFAOYSA-N 489.763 6.074 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)N1 587695530 NWUNRMRRTKYDQL-YBTHPKLGSA-N 464.722 5.564 5 1 JKBF O=c1c(-c2ccc(Cl)cc2)coc2c1c(O)cc1occ(-c3ccc(Cl)cc3)c(=O)c12 653895797 VRBPJLREAOLADK-UHFFFAOYSA-N 451.261 6.246 5 1 JKBF CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4051443 FXGDTEVQGMOVAA-UKILVPOCSA-N 491.975 5.954 5 1 JKBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135434 YDLIYUIHTUODFF-LEWJYISDSA-N 487.604 5.666 5 1 JKBF CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163805 ZXHNLXPDCRJHLP-OAHLLOKOSA-N 461.547 6.061 5 1 JKBF COC(=O)c1ccnc2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc12 587037990 ONZSXNVIMYYJBY-UHFFFAOYSA-N 463.500 5.081 5 1 JKBF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587082733 DFJGMMXYGGAYNZ-SREVYHEPSA-N 462.724 6.155 5 1 JKBF Cc1ccc2oc3nc(C)c([C@@]4(C)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc3c(=O)c2c1 587585310 DDDNVXBKBYWEJO-FUFSCUOVSA-N 479.488 5.541 5 1 JKBF S=C(Nc1ccc(Cl)cc1)Nc1ccc(N=c2c3ccccc3[nH]c3ccc(Cl)cc23)cc1 653773238 HFEXYIDUQRZWPX-UHFFFAOYSA-N 489.431 7.669 5 1 JKBF COc1c(O)cc2oc3cc(O)c(CC=C(C)CO)c(O)c3c(=O)c2c1CC=C(C)CCC=C(C)C 2356481947 BXFCPUCGPCDZKT-UHFFFAOYSA-N 494.584 5.788 5 1 JKBF CCOC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C 2356689941 GIRXTOSJOKKBHO-UHFFFAOYSA-N 460.702 9.086 5 1 JKBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82150266 MUYIKDZZDRBLJX-OYRHEFFESA-N 487.604 5.585 5 1 JKBF Cc1cc(Br)cc(C)c1Oc1nc(Nc2ccc([N+](=O)[O-])cc2)cn2ccnc12 219678637 DNGXMDMKJZQQCZ-UHFFFAOYSA-N 454.284 5.553 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Oc1ccc([N+](=O)[O-])cc12 587578272 VRCATTUVEOSZJE-ZEQKJWHPSA-N 453.406 5.312 5 1 JKBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1 587872278 SSMJXLXVDQVSQB-UHFFFAOYSA-N 461.449 5.264 5 1 JKBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587944227 AMWMHVAVEOLSRD-UHFFFAOYSA-N 478.480 5.095 5 1 JKBF Cc1c(F)ccc(C(=O)Nc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2N2CCN(C)CC2)c1Cl 653861775 OVQVBHOFYHZKAE-UHFFFAOYSA-N 482.943 5.367 5 1 JKBF CN(C)C(=O)c1ccc2c(c1)[C@]1(NCC2)c2ccccc2CC[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1 962925452 NACHTODIJURJCO-CUNXSJBXSA-N 475.976 5.069 5 1 JKBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N(c2cccc3c2CCCC3)C1 40767123 IZYRSDMGLHGGLX-XMMPIXPASA-N 462.593 5.883 5 1 JKBF CC(C)CN(C)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 82148500 PCLRXZKEAHPJHC-UHFFFAOYSA-N 467.957 5.088 5 1 JKBF Cc1nc2ccccc2c2nc(Oc3ccc(Br)cc3)n(-c3ccc(Cl)cc3)c(=O)c12 82149528 FNCDULWCELFNRJ-UHFFFAOYSA-N 492.760 6.451 5 1 JKBF CC(C)CN(CC(C)C)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 82150220 FISAHJKAMNFRSL-UHFFFAOYSA-N 461.566 5.418 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc([N+](=O)[O-])cn3)c(OCC)c1)CC2=O 587468614 ABXJXXHETVOICF-JOCHJYFZSA-N 464.474 5.545 5 1 JKBF O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(N=c3c4ccccc4[nH]c4ccccc34)cc2)cc1 653704625 RCTFXEQSKCLSDZ-UHFFFAOYSA-N 465.538 6.271 5 1 JKBF CC[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816977 IUWHTGVGVMSPOD-SANMLTNESA-N 461.949 6.108 5 1 JKBF CC(C)(C)c1ccc([N+](C)(C)CCCNc2cc(Cl)ccc2Sc2ccccc2)cc1 13677743 OMXZKFBYKODQDU-UHFFFAOYSA-N 454.103 7.858 5 1 JKBF O=[N+]([O-])c1ccc(SC(=S)N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c([N+](=O)[O-])c1 95576133 OXLJDKFZQGQUEQ-UHFFFAOYSA-N 494.598 5.365 5 1 JKBF CC[N+](CC)(CC)C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@H](C(C)C)C[C@H]3CC[C@@H]12 299818593 AEKZRHRRTOYWFU-GBLYMKMPSA-N 464.755 6.062 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 586948027 CVPMWRHZMXJOEH-UHFFFAOYSA-N 477.329 5.554 5 1 JKBF COc1ccc(-c2nnc(-c3ccc4nc(Cc5ccc(C(F)(F)F)cc5[N+](=O)[O-])[nH]c4c3)o2)cc1 587109472 KVMBSBVRPOSDFY-UHFFFAOYSA-N 495.417 5.806 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(I)ccc4[nH]3)cc2)cc1 587271554 FKPFLDQTSLDHGP-UHFFFAOYSA-N 457.227 5.535 5 1 JKBF COc1cccc(-c2cc(-c3cc(Cl)c(C)c([N+](=O)[O-])c3O)nc3c2oc2ccccc23)c1 587356959 CPYPEWJLMNEDLB-UHFFFAOYSA-N 460.873 6.899 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 587749127 XCQYMYRYOZLVEU-OWJWWREXSA-N 485.353 5.873 5 1 JKBF CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccc([N+](=O)[O-])cc2)c1O 587937734 UKTCSMRPQWWMSA-UHFFFAOYSA-N 476.327 5.447 5 1 JKBF O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(N=c3c4ccccc4[nH]c4ccc(Cl)cc34)cc2)cc1 653773231 FEBUZZAGFFFQHM-UHFFFAOYSA-N 499.983 6.924 5 1 JKBF Nc1c([C@@]2(c3ccccc3)c3ccsc3CCN2Cc2ccco2)oc2cc([N+](=O)[O-])ccc12 962720004 YCXZBNIYIGHPMX-AREMUKBSSA-N 471.538 5.928 5 1 JKBF Cc1ccc(C(=O)O)cc1NCc1ccc(Sc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 1911575556 FBKQYMFUGKLZSL-UHFFFAOYSA-N 463.342 6.672 5 1 JKBF O=[N+]([O-])c1ccc(-c2ccc(C3=Nn4c(CNc5ccccc5Cl)nnc4SC3)o2)cc1 5807975 QNJGUZXZTHGGHM-UHFFFAOYSA-N 466.910 5.070 5 1 JKBF COc1ccc2c(c1)c1cc(Br)ccc1c1nc(-c3c(F)cccc3Cl)[nH]c21 45254014 JVLYINCCFPIQIX-UHFFFAOYSA-N 455.714 7.100 5 1 JKBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149412 RGRYJQKMAFHSDM-CALCHBBNSA-N 479.968 5.435 5 1 JKBF COc1c(-c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)ccc2occc12 103278429 SMYHCTLBCMKBSM-UHFFFAOYSA-N 456.414 5.778 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cc1[N+](=O)[O-] 586999323 ZIBPTGXOHNHJEO-UHFFFAOYSA-N 469.251 5.388 5 1 JKBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1Cl 587048105 QSZFLKBGCULOHR-DUXPYHPUSA-N 462.609 5.956 5 1 JKBF Cc1ccc(-c2cc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c3cccc(Cl)c3n2)o1 587082426 NQVSEPNDUVEUHE-UHFFFAOYSA-N 483.709 6.671 5 1 JKBF O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)c1coc2cc([N+](=O)[O-])ccc12 587280143 LFTRFPIJZDEYGW-UHFFFAOYSA-N 470.338 5.440 5 1 JKBF CN1c2ccccc2Sc2cc(COCc3cn(Cc4ccc([N+](=O)[O-])cc4)nn3)ccc21 1857572035 WLMNBXGQVPQLQN-UHFFFAOYSA-N 459.531 5.184 5 1 JKBF Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2n1 27325259 FFDJWCPXTSBDHO-UHFFFAOYSA-N 454.273 5.468 5 1 JKBF Nc1nc(-c2ccccc2)cc(-c2ccc(OCc3cc(=O)oc4c3ccc3ccccc34)cc2)n1 49820356 XMPOPHAGJWGMHT-UHFFFAOYSA-N 471.516 6.231 5 1 JKBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135336 CKXODFYDRSDFNM-RTBURBONSA-N 491.567 5.496 5 1 JKBF CCN(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136104 PHFYBTBZCBQJKP-PMACEKPBSA-N 473.577 5.196 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(C)cc2C)nc2c1ccc1ccccc12 169329807 JHPOKDSOVZQORM-SSEXGKCCSA-N 454.658 7.607 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 299865348 NLWYLXVXXLDZNL-LSMVNSQTSA-N 489.531 5.370 5 1 JKBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587267875 SZNXCBNHWOTYBY-UHFFFAOYSA-N 470.327 5.181 5 1 JKBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)CCC=C(C)C)C[C@@H](C(C)(C)O)O4 2356723327 FADVHPZQTZALCA-QHCPKHFHSA-N 494.584 5.676 5 1 JKBF CCCCc1ccc(C(=O)NCCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 34946794 CCPKMMCQKCPEQC-UHFFFAOYSA-N 474.561 5.796 5 1 JKBF Cc1ccc(CCNc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82148493 ROKBWUWAIQXXKX-NTKDMRAZSA-N 473.577 5.323 5 1 JKBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149133 QUGJPAGTGNQYLW-MOPGFXCFSA-N 459.550 5.315 5 1 JKBF CC(C)=CCc1c(O)cc2oc3c(CC=C(C)C)c(O)c4c(c3c(=O)c2c1O)CCC(C)(C)O4 238742819 BFNKXBFOHIOEKV-UHFFFAOYSA-N 464.558 6.184 5 1 JKBF O=C1C[C@H](Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(Br)cccc2O1 587004245 SANYCDSQQIIXID-LBPRGKRZSA-N 459.303 5.057 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@H]2CCCC[C@H]21 587025141 DUCWNXIHSHLMIB-JHTITAFHSA-N 467.598 5.796 5 1 JKBF Clc1cccc(-n2nc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2-c2ccco2)c1 587068348 SAPASDDLECYACC-UHFFFAOYSA-N 462.900 6.425 5 1 JKBF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587140064 ATSLFVCQRBUOBM-QHCPKHFHSA-N 496.007 6.728 5 1 JKBF CCC[C@@H](CC1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782625 VTLKLOSDSJJRIH-SFHVURJKSA-N 469.969 6.486 5 1 JKBF Cn1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(-c2ccc(Br)cc2)n1 1772578462 QRIMEEKEZOSZSZ-UHFFFAOYSA-N 455.319 5.489 5 1 JKBF COc1cc(/C=C\c2ccc(OC)c(O[C@H](C)c3ccc([N+](=O)[O-])s3)c2O)cc(OC)c1OC 1911585825 TZKMIJYOAVGVOK-LMVHVUTASA-N 487.530 5.707 5 1 JKBF COc1cc2oc3cc(O)c(OC)c(CCC(C)(C)OC)c3c(=O)c2c(O)c1CC=C(C)C 14727635 DMMDUIJPERRSIC-UHFFFAOYSA-N 456.535 5.241 5 1 JKBF biogenic O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(F)c([N+](=O)[O-])c1 587553403 ARQQSKMPAVVAJN-JYFHCDHNSA-N 457.413 5.345 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2[N+](=O)[O-])N1 587682713 VAOLZAYWDVJACP-XLFHBGCDSA-N 458.125 5.057 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587732779 JQWTYAFTQPAACK-JYFWECSPSA-N 485.328 6.127 5 1 JKBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(OC(C)=O)cc2)(c2ccc([N+](=O)[O-])cc2)N1 962947942 KMHYYJMVKTZELH-DCFHFQCYSA-N 455.514 5.218 5 1 JKBF Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(NC3CCCCCCC3)c([N+](=O)[O-])c2)c1 15937544 HQYNJCALTXCWKZ-HSZRJFAPSA-N 466.582 5.083 5 3 JKBF CCC1=Cc2cc3[nH]c(cc4nc(c5c6[nH]c(cc1n2)c(C)c6CC5)C(CC)=C4C)c(C)c3CC 15204654 SYQMZFBFICFQBQ-UHFFFAOYSA-N 462.641 7.884 5 1 JKBF CCc1ccccc1-n1c([C@H](C)N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 35090260 FOUHEXSQWAAWND-DGDHUYAWSA-N 482.540 5.089 5 1 JKBF O=C1c2c(c3c4ccccc4n4c3c3c2c2ccccc2n3C/C=C/C4)C(=O)N1Cc1ccccc1 104211674 UEJNGLCATPTPMT-CMDGGOBGSA-N 467.528 6.268 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 299865351 NLWYLXVXXLDZNL-TXQUNOLYSA-N 489.531 5.370 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587262818 IBYVOUOKANDCOF-SNVBAGLBSA-N 455.414 5.434 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc([N+](=O)[O-])cc4Cl)c(F)c1)[C@@H](C2)C3=O 587426474 OMRZINQAISGYJL-WNSKOXEYSA-N 455.825 5.677 5 1 JKBF COc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c(C)c1[N+](=O)[O-] 587696366 TZBNRIMVEAPHNL-ZRNGKTOUSA-N 457.727 5.265 5 1 JKBF CCN(CC)CCNc1c2cc(/C=C/c3ccc(SC)cc3)ccc2nc2c1[nH]c1ccccc12 1857760295 VJPNKQVXJCOUTA-ZHACJKMWSA-N 480.681 7.515 5 1 JKBF CCN1CCC[C@@H](NCc2c3ccccc3c(CN[C@@H]3CCCN(CC)C3)c3ccccc23)C1 22863812 MNKRQQBDUQTENM-DNQXCXABSA-N 458.694 5.141 5 1 JKBF COc1cc2cc(C(=O)[C@@H]3CCC[N+](C)(CCOc4ccccc4)CC3)sc2cc1OC 28462361 RUKXDNCEYNEPKG-FOEZPWHWSA-N 454.612 5.427 5 1 JKBF C[N+](C)(C)CCO[P@](=O)(O)OCCCCCCCCCCCC1C2CC3CC(C2)CC1C3 28712519 BQUUGTRJPBACGM-UHFFFAOYSA-O 472.671 6.800 5 1 JKBF C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)CCCCCCCCCCCCCCCCC(=O)O 96094939 ULCCGBCYWCYNIC-QFIPXVFZSA-O 458.660 5.405 5 1 JKBF in-vitro O=[N+]([O-])c1c(Br)ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586986029 UNIOAUIFRYSMEX-MRXNPFEDSA-N 480.160 5.181 5 1 JKBF Cc1cc2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2cc1[N+](=O)[O-] 587038376 SAEAPGVSAKUNBN-UHFFFAOYSA-N 463.500 6.116 5 1 JKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)o1 587266302 YJSMLBVPRRKBGC-UHFFFAOYSA-N 468.185 6.059 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587959124 JDVKSLGFQCQWQL-WWMAXSSBSA-N 482.068 8.979 5 1 JKBF CCCCn1c(=O)c2cc(OC)ccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)cc(OC)c21 71318828 WSHHXIGETVKGRR-UHFFFAOYSA-N 477.401 5.284 5 1 JKBF COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4cccc(C(F)(F)F)c4)c3oc2c1OC 96933381 MXIYXJPOLHUWAH-UHFFFAOYSA-N 460.404 5.666 5 1 JKBF O=c1oc2ccc3ccccc3c2cc1-c1cc(-c2ccc(Cl)cc2)nc(Cc2ccc(F)cc2)n1 473113257 IFRTXRBMFLLBIT-UHFFFAOYSA-N 492.937 7.454 5 1 JKBF Cc1cc2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc2cc1[N+](=O)[O-] 586883517 KNGXCZPCNZNGMG-UHFFFAOYSA-N 473.488 7.118 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(SC(F)(F)F)ccc4[nH]3)cc2)nc1C(F)(F)F 587118995 SZABQKBFBKVHCM-UHFFFAOYSA-N 487.385 6.014 5 1 JKBF CC(C)c1nn(C)c2c1[C@@]1(NCC2)c2ccccc2CC[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1 962917142 ZICCAFPTFBQUJC-UQBPGWFLSA-N 450.970 5.224 5 1 JKBF C[C@@](O)(CSc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857611569 XFYFRQRHPMHWLE-MRXNPFEDSA-N 468.375 5.114 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2[C@H](c2ccccc2Cl)c2ccccc21 13913493 OJHQXFWFJZJEEA-AREMUKBSSA-N 454.913 6.589 5 1 JKBF Nn1c(-c2ccc(Cl)cc2)nc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cc3c2c1=O 28708404 SCEYVMIYTLSPLR-UHFFFAOYSA-N 467.743 5.953 5 1 JKBF Fc1ccc(-n2c3c/c(=N\C4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1 95579171 KVXGUMGLKKTYBW-QCKNELIISA-N 465.532 5.488 5 1 JKBF COc1ccc(Cl)cc1C(=O)Nc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3[N+](=O)[O-])C2)cc1 96934174 GGSSBGLUADXMII-QHCPKHFHSA-N 492.919 5.207 5 1 JKBF O=C(O)c1ccc2oc3ccc(OC[C@@H](O)CSC45CC6CC(CC(C6)C4)C5)cc3c(=O)c2c1 169321966 IVWMSBZCSAEHAV-SAAMRPTBSA-N 480.582 5.086 5 1 JKBF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 586948363 HJKYJYIDENWODF-UHFFFAOYSA-N 487.335 5.010 5 1 JKBF Oc1ccccc1-c1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2cccc(Cl)c2n1 587082362 LRUMNINYRWCXIW-UHFFFAOYSA-N 473.923 6.901 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)cc1 587271409 CRBMYNMYYLVCLM-UHFFFAOYSA-N 478.224 6.712 5 1 JKBF CC(C)(CC[C@]1(c2ccc(Br)cc2)NCCc2cc(-c3ccccc3)ccc21)[N+](=O)[O-] 962661705 ALGMSFABICRQNS-AREMUKBSSA-N 479.418 6.341 5 1 JKBF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 963233399 TXYREPJTAJRSPH-GKVSMKOHSA-N 453.007 7.145 5 1 JKBF COc1ccc(-n2c(C)nc3c(-c4ccc(Cl)cc4)nc4ccc(OC)cc4c3c2=O)c(OC)c1 98084438 HVFDOWJXUDLIJS-UHFFFAOYSA-N 487.943 5.589 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc3ccccc3cc2[nH]1 586949157 RWWPHVYDRFMMJX-UHFFFAOYSA-N 458.499 5.401 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cc(Br)c2[nH]1 587053963 HYSVLOJAGILFBF-HNNXBMFYSA-N 469.698 5.153 5 1 JKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587072661 ULVHMAKYYIXVBG-NKAWFHAUSA-N 481.177 6.907 5 1 JKBF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587156716 QVDVXQORPBTAEF-UHFFFAOYSA-N 469.501 5.266 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(I)ccc3Cl)[nH]c12 587182376 FTLIAQMQMASXIL-UHFFFAOYSA-N 478.471 5.159 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 587718598 IUJPZIOIJHNXFJ-VGDKGRGNSA-N 462.088 5.022 5 1 JKBF NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NC2CCCCCCC2)c([N+](=O)[O-])c1 15937526 OASRCDAJBDJIBO-QFIPXVFZSA-N 487.000 5.048 5 3 JKBF O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2[C@@H](c2ccccc2Cl)c2ccccc21 3940270 OJHQXFWFJZJEEA-SANMLTNESA-N 454.913 6.589 5 1 JKBF O=[N+]([O-])c1cn(C[C@@H](OCc2ccccc2F)c2ccc(Cl)cc2Cl)c(Br)n1 66079362 GTOCPNOEILELRY-MRXNPFEDSA-N 489.128 5.958 5 1 JKBF O=[N+]([O-])c1cccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2nc3ccccc3s2)c1 82163772 SQNRWPAWVJGPNM-UHFFFAOYSA-N 471.517 6.122 5 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587199427 GLDCUIPZKHVUNH-QHCPKHFHSA-N 471.517 5.588 5 1 JKBF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccc([N+](=O)[O-])cc1 587574323 FCPUXXSLOJGAPM-LBNVMWSVSA-N 499.475 5.591 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2)N1 587701432 UGGSKNRSJDFQSX-VERVWZFWSA-N 491.744 6.566 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 587746700 KHAUZFIGLKOKNR-IZHWHUGBSA-N 485.353 5.873 5 1 JKBF O=C1c2cc(F)ccc2[C@@](OCC2(CO)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 72125922 NWINZFXRUSOEIC-SANMLTNESA-N 496.922 5.034 5 1 JKBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149081 HCZSMGQWYVQWKZ-RTWAWAEBSA-N 487.604 5.666 5 1 JKBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCCCCC[N+](C)(C)C)[C@H]1c1ccccc1C(F)(F)F 169714276 QBNKIZCQSBLZBC-GGAORHGYSA-N 497.578 5.137 5 1 JKBF C[C@@H](C(=O)c1coc2cc([N+](=O)[O-])ccc12)n1nc(C(F)(F)F)c(Br)c1C1CC1 587280037 HIZYZMYUJMYALA-QMMMGPOBSA-N 472.217 5.640 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 587576248 NQJIYNAGUKTYPZ-NAKRPHOHSA-N 493.475 5.277 5 1 JKBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587645101 VJUQXWFEMRBMLJ-GOTSBHOMSA-N 460.873 5.588 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)N1 587752867 UCDSLSWTQFZNGU-MCMMXHMISA-N 481.325 5.435 5 1 JKBF COc1ccc2c(c[n+]3c4c2cc(Cc2ccc([N+](=O)[O-])cc2)c2c5c(cc(c24)CC3)OCO5)c1OC 1857537272 BPMQGQRAEYSMRR-UHFFFAOYSA-N 495.511 5.235 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](c1ccc(Cl)cc1)CC(=O)N3 1857756981 BPANDEAEMACEOI-INIZCTEOSA-N 477.944 6.155 5 1 JKBF CCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)ccc21 28524009 DGVKFHCGTRSOLE-UHFFFAOYSA-N 471.583 5.575 5 1 JKBF CC(C)(O)c1ccc2c(c1)c1cc(Br)ccc1c1nc(-c3c(F)cccc3Cl)[nH]c21 45245828 PAOLCARYFYXYRS-UHFFFAOYSA-N 483.768 7.319 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](NC(=O)C(C)(C)C)[C@@H]1CCCN1C3 73294120 ACSBLLJKGDAQPJ-KDYSTLNUSA-N 492.616 5.209 5 1 JKBF CN(C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1 82135346 SJJHOBDMGHHTKB-UHFFFAOYSA-N 477.540 5.250 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)cc(Cl)c2c2ccc(Cl)cc12 169338470 BECYRKKPXHQYRS-HSZRJFAPSA-N 452.853 7.889 5 1 JKBF CSc1sc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920808 YYFZBVQCHJULTP-UHFFFAOYSA-N 489.047 5.945 5 1 JKBF Brc1cc(/C=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)cc2c1OCCO2 586999704 AKLAYNMDHSWTAC-WAYWQWQTSA-N 459.303 5.363 5 1 JKBF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587230911 KRGWEQPIPJPBFL-UHFFFAOYSA-N 451.870 5.014 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccccc3C(=O)N3CCCC3)c([N+](=O)[O-])c1)O2 587390080 PJHVWTLGVAKLOE-VWLOTQADSA-N 487.512 5.220 5 1 JKBF CCCc1c(O)ccc2c1O[C@](CC(=O)Nc1ccccc1)(c1ccc([N+](=O)[O-])cc1)CC2=O 587468846 DXFKROUSYUPKNZ-AREMUKBSSA-N 460.486 5.142 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N1 587692571 BIFWLNJWKGBFBX-VERVWZFWSA-N 491.744 6.566 5 1 JKBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587747830 QIXHMQLLRUZRGH-MQJDWESPSA-N 461.287 5.389 5 1 JKBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccc(Cl)cc2Cl)c1O 587942815 AWMXUHUFJGILKP-UHFFFAOYSA-N 476.085 5.981 5 1 JKBF S=c1[nH]nc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)n1C1CCCCC1 1860809 QKWCHGIAVAZNMX-UHFFFAOYSA-N 493.434 6.308 5 1 JKBF CCN(C)c1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163985 HFOZMZQNJSWEME-UHFFFAOYSA-N 477.546 5.316 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NCCc3ccccc3F)ncc2-c2nc3ccccc3s2)cc1 82174672 MTKADRGDTDYPBR-UHFFFAOYSA-N 471.517 6.122 5 1 JKBF c1csc(SCc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)oc3ccccc23)c1 587010975 KMJKCOPTLWVXIW-UHFFFAOYSA-N 462.599 8.636 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc4nc5ccccc5nc4cc3[nH]1)N2 587030894 JKDVIPVAFZQHPL-RNDVCUHJSA-N 472.599 5.786 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1ccc([N+](=O)[O-])cc1)CC2=O 587458927 VGQBYMXHJSFIAD-DEOSSOPVSA-N 482.330 5.924 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc12 587577241 RFKSZWFFTCDWIK-QHCPKHFHSA-N 482.404 5.094 5 1 JKBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2cccc([N+](=O)[O-])c2)o1 587863170 SSFVOYHBEGFZFJ-UHFFFAOYSA-N 487.390 5.346 5 1 JKBF COc1cc2c(cc1OC)[C@](C)(c1cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c1)N(C)[C@H](C)C2 962641299 ZVPDAHWEQRNWAU-UULLZXFKSA-N 489.572 5.313 5 1 JKBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4215136 CYBUCROSQSLBQM-KVFOXVCZSA-N 485.512 5.354 5 1 JKBF COc1ccccc1-n1c(C)nc2c(-c3ccc(Br)cc3)nc3ccccc3c2c1=O 28646076 WNOVAEJLZWKHSL-UHFFFAOYSA-N 472.342 5.680 5 1 JKBF Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@H]2CC[C@@H](C)CN2)c1 29479746 DEJKUVXSAZOXDV-RDTXWAMCSA-N 469.969 5.943 5 1 JKBF Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C[N+](C)(C)C4CCOCC4)cc3)cc2)cc1 34804371 URKNLZLJINOYBX-LICLKQGHSA-O 455.622 6.069 5 1 JKBF COc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163941 OCUCAECSNQDYHT-UHFFFAOYSA-N 461.547 5.455 5 1 JKBF CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N=C(SCc2ccc(F)cc2)N1 102253722 ZGCNLPBEHSDQBL-QHCPKHFHSA-N 494.523 5.719 5 1 JKBF CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(O)CC(C)(C)CC2=N1 104081467 PJSAYKIKTJXPGM-JOCHJYFZSA-N 480.952 6.035 5 1 JKBF C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@H]1C2(C)C 105190609 FMLQWWGQNCQFBY-QBLKZJFASA-N 485.613 6.811 5 1 JKBF C[C@@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327100 DVMSZGDBSBCFDQ-GGAORHGYSA-N 475.394 5.819 5 1 JKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3)c(CCN3CCC(O)(c4ccc(Cl)cc4)CC3)c12 587645571 DABWMKSWBRRRQQ-UHFFFAOYSA-N 493.966 6.062 5 1 JKBF CCOc1ccc(-c2nn(C(=S)Nc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1OCC 587671913 VVWDFJQEJXYIMR-UHFFFAOYSA-N 490.541 5.014 5 1 JKBF C[N+]1([O-])CCC2(CC1)C(=O)Nc1cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc12 653723339 SPOXLGWYPOBCPZ-OEAKJJBVSA-N 456.517 5.235 5 1 JKBF Cc1oc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163425 ONMLGTDXLCCWGO-UHFFFAOYSA-N 495.514 6.476 5 1 JKBF O[C@H](CC[C@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169338509 WQCSUFPQZUJUAU-VGOFRKELSA-N 455.442 6.986 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc([N+](=O)[O-])cc1F 587856539 XRLLSAKFHKXAPR-UHFFFAOYSA-N 454.241 5.022 5 1 JKBF O=[N+]([O-])c1cc([C@H]2c3ccsc3CCN2Cc2ccco2)ccc1I 962706011 GSQPSFIHJIXUDV-SFHVURJKSA-N 466.300 5.002 5 1 JKBF O=[N+]([O-])c1cc2cc(c1O)Oc1ccc(cc1)CCc1cccc(O)c1-c1ccc(cc1O)CC2 1857773447 BCJNMNRRUSBFJB-UHFFFAOYSA-N 469.493 6.055 5 1 JKBF COc1ccc([N+](=O)[O-])cc1CSc1nc2cc(NC(=O)OC(C)(C)C)ccc2n1C(C)C 28523288 XTVSPIUKESGKMP-UHFFFAOYSA-N 472.567 6.173 5 1 JKBF [O-][N+]12CCC[C@]3(O)CCCCCC[C@@H]4CCN5CCC[C@@H](CCCCCC[C@H](CC1)O[C@@H]32)[C@@H]5O4 32296548 JETHRNCQQWIYDV-RAQLLFMBSA-N 478.718 5.463 5 1 JKBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(Cc2ccccc2)CN1C3 72112043 AHRYGTLQKLFDDU-FQEVSTJZSA-N 454.570 5.219 5 1 JKBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148601 IZPSAUAJBWUHND-ZWKOTPCHSA-N 493.995 5.968 5 1 JKBF O=[N+]([O-])c1ccc([C@H](O)C[C@H](O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 95785123 AVXZWYCDHOFEQY-FCHUYYIVSA-N 462.527 5.494 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 587012194 UYMVWZLNZANSBH-UHFFFAOYSA-N 486.372 7.001 5 1 JKBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587578752 XJWCDLPBYSJJKW-RDGATRHJSA-N 459.410 5.272 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)N1 587697892 URKHUYANASAAER-GIPWTMENSA-N 464.722 5.564 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)N1 587743278 AHJQEMMRASSFBR-DMZKTXOQSA-N 485.309 5.339 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)N1 587841404 ATQHFSQTTSWDTK-LAJNKCICSA-N 477.355 6.005 5 1 JKBF COc1ccc2c(c[n+]3c4c2cc([C@@H](C)c2ccccc2)c2c5c(cc(c24)CC3)OCO5)c1OC 1857537349 KRCSPAWEBSLNEL-KRWDZBQOSA-N 464.541 5.888 5 1 JKBF COc1cc(/C=C\c2ccc(OC)c3c2O[C@@H](c2ccc([N+](=O)[O-])s2)O3)cc(OC)c1OC 1911582382 DGDZQGXXRNJVKO-IYZQMXKPSA-N 471.487 5.331 5 1 JKBF O=[N+]([O-])c1cccc(C=Cc2cc(C=Cc3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])cc2[N+](=O)[O-])c1 2356863502 URGMBQVUUXIRBK-UHFFFAOYSA-N 462.374 5.660 5 1 JKBF CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c(OCCCCCCCCCC[N+](C)(C)C)ccc(c23)C1 14947233 CXCPABHZGCUHEL-MIUCGUHXSA-N 471.706 5.048 5 1 JKBF CC[C@@H](c1ccc(O)cc1)[C@H](CSCCNc1ccc([N+](=O)[O-])c2nonc12)c1ccc(O)cc1 29394693 LEHCZMPJVACDMT-LEWJYISDSA-N 494.573 5.665 5 1 JKBF C[C@@H](Nc1ncnc2c1cc(-c1ccc(N)cc1)n2CCCCCCC(=O)NO)c1ccccc1 138933131 JCWJOEZELXGMLM-LJQANCHMSA-N 472.593 5.310 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2cc(Br)ccc2c2cc(SC)ccc12 169339622 GYFKBLMLCNWMGT-RUZDIDTESA-N 474.508 7.413 5 1 JKBF O=C(NCCCCCCNc1nc2ccccc2c2[nH]c3ccccc3c12)Nc1ccccc1 169348170 OYFWJNGYZXAMTR-UHFFFAOYSA-N 451.574 6.663 5 1 JKBF COc1cc(/C=C\c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1Br 586976321 IDLLHRVMVOLKCW-CLTKARDFSA-N 453.090 5.175 5 1 JKBF CC(C)(C)[C@]1(COc2ccc([N+](=O)[O-])cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325899 HLXLZQWCZFOSFL-JYFHCDHNSA-N 499.922 6.316 5 1 JKBF CC(C)(C)[C@@]1(COc2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541635 GJBVNDUZEGKVPE-BWKNWUBXSA-N 483.904 5.779 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc([N+](=O)[O-])c2)N1 587683734 WYXJVPZSQMAYAE-XYZCENFISA-N 458.125 5.057 5 1 JKBF COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1[N+](=O)[O-] 587745922 ILSWTAFCSWJJPN-ZAMGYDSWSA-N 499.336 5.574 5 1 JKBF Cc1nc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174016 GYWBTCLKUFVBPS-UHFFFAOYSA-N 469.423 5.955 5 1 JKBF COc1ccc([N+](=O)[O-])cc1Nc1nc2c(s1)CCCc1nc(NC(=O)C(C)(C)C)sc1-2 299830556 NZNGELYYYGAKQQ-UHFFFAOYSA-N 473.580 5.400 5 1 JKBF O=C(O)c1cc2[nH]c(C3(F)CCCCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587131695 BIFBVZGEIZQIDV-UHFFFAOYSA-N 472.472 5.974 5 1 JKBF COc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c(C)c1[N+](=O)[O-] 587545274 ONANPZZTPZDRJD-MBSDFSHPSA-N 455.850 5.148 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82148835 AJZNYLYCDINZFF-NHCUHLMSSA-N 487.604 5.505 5 1 JKBF CCCCCc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163682 SXZAIWPHBOTAOC-QZTJIDSGSA-N 463.582 6.230 5 1 JKBF CCO[P@@](=O)(Oc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1)c1ccccc1 169342867 GEZOLHISBFTXIQ-UUWRZZSWSA-N 476.429 5.729 5 1 JKBF CN(C)CCNc1nc(/C=C/c2ccc(I)cc2)nc2cc3ccccc3cc12 299861255 IADQJBKFKQTAMV-FMIVXFBMSA-N 494.380 5.532 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587002718 YSVIKKJWQMLGRM-UHFFFAOYSA-N 477.112 5.728 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(OC)c2c1 587617313 DFIWSXXXHCICDJ-UHFFFAOYSA-N 487.921 5.215 5 1 JKBF COc1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 587745637 IBPOWRYEZJTBQQ-NPMABZOXSA-N 487.325 5.921 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)N1 587856377 MIYRDOAUHYQRRL-NSPYISDASA-N 487.354 5.496 5 1 JKBF CN(C)C(=O)c1ccc2c(c1)[C@]1(NCC2)c2ccccc2CC[C@H]1c1cc(Cl)c([N+](=O)[O-])cc1F 962933193 SIJDJRNELBUZSF-IDISGSTGSA-N 493.966 5.208 5 1 JKBF CCCCC/C=C\C/C=C\CCCCCCC[C@@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OCC 26500399 FZPZIQNXNCVEQW-DPPFURQOSA-O 490.686 7.045 5 1 JKBF Cc1cc(C(=O)c2ccc(Cl)cc2)c(C)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1O 29229032 ICSWVUKMMWNMCE-UHFFFAOYSA-N 459.285 5.707 5 1 JKBF O=[N+]([O-])c1cc2c(OCC[C@@H]3CCCCN3)c(-c3cccc(Cl)c3)c(O)nc2cc1Cl 29414287 PFAARKLXCOAHJZ-HNNXBMFYSA-N 462.333 5.733 5 1 JKBF C[C@@]1(c2cc(Br)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322625 NOFAXIXQWQSKEK-UNMCSNQZSA-N 472.266 5.476 5 1 JKBF Cc1ccc2nc3c([C@@H]4NCC5(CCOCC5)c5cccc(C(F)(F)F)c54)cn(C)c(=O)c3cc2c1 962963677 WNMVPHHUNQSHSD-VWLOTQADSA-N 493.529 5.155 5 1 JKBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccccc1N 4080526 IGZVWFOAFIPLSE-YADHBBJMSA-N 458.946 5.161 5 1 JKBF CN(C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1 82135195 TZDQEHSWHRONNB-UHFFFAOYSA-N 479.968 5.722 5 1 JKBF Cc1cnc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174013 HVMJKINGUKKCFX-UHFFFAOYSA-N 455.396 5.646 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc4nc5ccccc5nc4cc3[nH]1)N2 587030892 JKDVIPVAFZQHPL-NPNVKNKFSA-N 472.599 5.786 5 1 JKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587070833 IBDYUDGRPKKPJN-XSTNGKFISA-N 459.380 7.332 5 1 JKBF CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc([N+](=O)[O-])cc12 40957471 ZQSAUWSJHUFTMR-UHFFFAOYSA-N 477.605 6.915 5 1 JKBF COC1=C(C)O[C@@H]2C[C@@]1(OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 202780609 QNEZMBLJZLTXBD-NGOKVRLYSA-N 465.509 5.255 5 1 JKBF C[C@]1(c2cc(Br)cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322641 NRWAAGABTYYJJO-IFMALSPDSA-N 472.266 5.476 5 1 JKBF COc1cccc(-c2cc(-c3cccc(Br)c3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587361145 ROZKGRNDTAJRPZ-UHFFFAOYSA-N 475.298 6.994 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 587751450 MKOSHQHFCRPJBE-YTEVENLXSA-N 458.331 5.556 5 1 JKBF CCCN1[C@@H](C)Cc2ccccc2[C@@]12c1ccccc1-c1ccc3sc4ccccc4c4ccc2c1c34 963259677 SMEANPRZGAQRQA-JBUCUFAESA-N 495.691 9.137 5 1 JKBF CN1CCc2c(Br)cccc2[C@H]1c1cc([N+](=O)[O-])ccc1Sc1ccccc1 963280106 MIUWSYMJHNSKTD-QFIPXVFZSA-N 455.377 6.086 5 1 JKBF O=[N+]([O-])c1ccc([C@H]2CCc3ccccc3[C@]23c2nc(Cl)cc4c2CCN3C4)c2ccccc12 963466744 FFQAXNAPRRQTGX-UFHPHHKVSA-N 467.956 6.142 5 1 JKBF COc1ccc(Cl)cc1/C=C/c1nnc(-c2cc(C)cc3c(=O)c4ccccc4c(O)nc23)o1 1857639163 NNDMFDAUSJFLJU-JXMROGBWSA-N 471.900 5.645 5 1 JKBF O=C(NCC1CCCCC1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2482406 BKQAABSBYXRCOD-UHFFFAOYSA-N 457.889 6.019 5 1 JKBF COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCCC2)cc([N+](=O)[O-])c1O 20109660 PPZNPUHMGRRFJK-JOCHJYFZSA-N 470.522 5.383 5 1 JKBF CC(C)Oc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 103295544 GWTXGHOMSWFKSC-UHFFFAOYSA-N 488.728 6.120 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)cc(Br)c2[nH]1 587057460 WYXQBIRHJYPSCI-HNNXBMFYSA-N 486.153 5.668 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 587732278 JIJBGTDENIVFMQ-AMXDTQDGSA-N 493.735 6.115 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587732283 JJJAYWAJTXVIMW-JXEYSUIFSA-N 485.328 6.127 5 1 JKBF Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1 587875744 LUALEVZQOKLXHB-UHFFFAOYSA-N 480.477 5.110 5 1 JKBF C[C@@]1(c2ccc(Br)cc2[N+](=O)[O-])c2cccc(F)c2CCN1[C@@H]1CCSC1 962706731 OIHGPLKNJQGGEI-VLIAUNLRSA-N 451.361 5.124 5 1 JKBF COc1oc([C@H](O)CC(C)=CC(C)=CC(C)=CC(C)=Cc2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C 2356857260 DKZYQJCEGFWXFH-RUZDIDTESA-N 479.573 6.539 5 1 JKBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4215750 MSVGDDVEJQUGLW-WADWEFIESA-N 475.948 6.279 5 1 JKBF CC1CCN(C(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccc([N+](=O)[O-])cc2)CC1 82149475 BYDPSRIEDCYOPQ-UHFFFAOYSA-N 499.493 5.555 5 1 JKBF C[C@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163503 IUZSUOOYAGIESH-JTSKRJEESA-N 471.586 6.833 5 1 JKBF CCN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163988 JBOKMPCAYYUPSQ-UHFFFAOYSA-N 486.384 6.605 5 1 JKBF O=[N+]([O-])c1cc2c(cc1[C@@H]1Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C31)OCO2 104003286 OCBMHFGUCZLDLK-QMTYFTJSSA-N 455.470 5.953 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Sc1ccccc1 587613240 NJBMUASRGYRRIR-JYFHCDHNSA-N 471.490 6.155 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c(F)ccc(F)c3F)c(C)c2c1 587620240 SQQHTUYLJGYVAE-UHFFFAOYSA-N 491.447 5.278 5 1 JKBF O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660605 HTUIGRJBKACFLJ-UHFFFAOYSA-N 495.466 5.378 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)N1 587842456 FFHQHXSTLDQPFR-WLRWDXFRSA-N 475.343 5.061 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CCS[C@@H]3c3ccc[nH]3)c2c1 1857750251 AHNQPQVFMAYYAL-RUZDIDTESA-N 481.021 5.266 5 1 JKBF Nn1c(-c2ccc(Cl)cc2)nc2c(-c3ccc(Br)cc3)nc3ccccc3c2c1=O 28708395 DNWQRIUFILNVPU-UHFFFAOYSA-N 477.749 5.408 5 1 JKBF CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc21 43119918 QIEUGZFWENFVBK-BRRDBMODSA-N 484.616 5.720 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)c(Cl)cc2c2c(Cl)c(Cl)ccc12 169338449 QQJYUCUJJDOGAI-QFIPXVFZSA-N 487.298 8.542 5 1 JKBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1C/C=C(/C)CCC=C(C)C)CCC(C)(C)O4 238783461 AMTWPTCWHPZWRT-YVLHZVERSA-N 478.585 6.705 5 1 JKBF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@@H]2CCCC[C@@H]21 586962246 WBQGDEGLPDMAKP-ODKGLIOUSA-N 483.597 5.354 5 1 JKBF O=[N+]([O-])c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 587075341 HSJKEILQZWEXKU-SSZFMOIBSA-N 452.901 6.827 5 1 JKBF Cc1ccc(C(=O)Nc2cccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2)cc1[N+](=O)[O-] 587098668 RSGJDJUOLOFVNO-UHFFFAOYSA-N 499.526 6.891 5 1 JKBF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(OC(F)(F)F)cc1[N+](=O)[O-] 587622786 SZCRVUMOTLULEA-UHFFFAOYSA-N 455.190 5.589 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 587751691 NVNCBOKHNPXMFF-SGANQWHYSA-N 494.364 6.123 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587779594 UPARQIMEAQKSHQ-MCFWBGNESA-N 467.338 5.349 5 1 JKBF O=[N+]([O-])c1ccc(Nc2nc(SCc3ccc(C(F)(F)F)cc3)nc3ccccc23)cc1 1857610846 GWDPBWCRXIPKCT-UHFFFAOYSA-N 456.449 6.593 5 1 JKBF CC[C@@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@+](C)(C(C)C)C2 1857620031 YUJQPTMYSRETHW-JWRCQZCYSA-O 471.716 5.653 5 1 JKBF O=[N+]([O-])c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)cc1 103948624 XYELMFLGFWNWHJ-LJQANCHMSA-N 494.960 6.250 5 1 JKBF O=C(O)c1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)ccc1-c1ccccc1[N+](=O)[O-] 204990480 UJWSOVYRPWSKAV-UHFFFAOYSA-N 470.428 6.769 5 1 JKBF C[N@+]1(CCCCCCCCCCCCCCCC[N@+]2(C)CCC[C@@H]2CO)CCC[C@H]1CO 253655919 MYAGCAOZYJKPQU-RLQUZOAZSA-N 454.784 5.650 5 1 JKBF O=C(Nc1ccc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1)c1ccc(Br)o1 587006911 DKSQNHAOKWIOOD-UHFFFAOYSA-N 498.340 5.858 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587058000 ZERKPIKFSCQYAJ-HNNXBMFYSA-N 458.799 5.410 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3cc(Br)cc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-] 587264612 IVFAEBSJGCNCSP-UHFFFAOYSA-N 460.719 5.416 5 1 JKBF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 587270336 MHOHZKLLAVZCIT-UHFFFAOYSA-N 454.408 5.527 5 1 JKBF Cc1cc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)ccc1[N+](=O)[O-] 587574727 GYTMIBDHAPRSBR-OZXSUGGESA-N 473.437 5.484 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)N1 587841943 CQSPGWHZUPWSGZ-LAJNKCICSA-N 477.355 6.005 5 1 JKBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)c1cc([N+](=O)[O-])ccc1-c1nn(C)c(C(C)(C)C)c12 962955703 XZFDPTSEEXZBNA-YVORESIASA-N 455.562 5.304 5 1 JKBF c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\CCCN2CCCC2)cc1 13884666 RYFNFJVGAZQCQF-QVAGMWBUSA-N 473.624 6.261 5 1 JKBF COc1cc2cc(C(=O)C[C@@H](O)CCC3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC 36286842 SKWVLMXTRDHOMY-OTQLNIJOSA-N 482.666 5.689 5 1 JKBF COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3Cl)[C@@H]1C2 73139901 ZKUAYZSWZMMLHE-NTKDMRAZSA-N 492.919 5.431 5 1 JKBF O=C(N[C@@H](c1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 587223492 NMMRSSKVCDZTOW-VWLOTQADSA-N 491.507 5.494 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3ccc4cccc5ccc2c3c45)N1 587813113 ASPRMOLRNZVQNL-KUNJGFBQSA-N 458.374 7.283 5 1 JKBF CCCN1[C@H](C)Cc2ccccc2[C@@]12c1ccccc1-c1ccc3sc4ccccc4c4ccc2c1c34 963259672 SMEANPRZGAQRQA-DGOBPVDHSA-N 495.691 9.137 5 1 JKBF O=[N+]([O-])c1cccc(-c2cccc([C@H]3NCCc4c3[nH]c3ccc(OCc5ccccc5)cc43)n2)c1 963817764 PLNWCYIQLSIXGQ-GDLZYMKVSA-N 476.536 5.952 5 1 JKBF Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@H]2CC[C@H](C)CN2)c1 29479750 DEJKUVXSAZOXDV-KBXCAEBGSA-N 469.969 5.943 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135226 QXSOCIPFQPIWGK-UHFFFAOYSA-N 459.550 5.377 5 1 JKBF C[C@H](CNC(=O)Nc1ccccc1)CNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12 169348189 AZTSRVHRPLPPIO-INIZCTEOSA-N 457.965 6.392 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@@H]2CCCC[C@@H]21 587025140 DUCWNXIHSHLMIB-HDBFHEOPSA-N 467.598 5.796 5 1 JKBF COc1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143760 YRXKGCIMOKTRNQ-UHFFFAOYSA-N 486.253 5.414 5 1 JKBF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587158777 IOKVUEXBUJBVAJ-UHFFFAOYSA-N 492.360 5.599 5 1 JKBF Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336378 TYIKSCQIKUXRQJ-BDYUSTAISA-N 488.446 5.464 5 1 JKBF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1cccc2[N+](=O)[O-] 587337579 BKCYOOAAHPWYBV-RBJSKKJNSA-N 481.435 5.287 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccccc2[N+](=O)[O-])o1 587577986 VGBDJFOKVCIDQY-RDGATRHJSA-N 459.410 5.175 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 587751643 NJERSSYZSCAZNX-FEXCRCJTSA-N 467.338 5.988 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)N1 587846697 QTNYOKINQSTLNI-LFVRLGFBSA-N 487.394 6.412 5 1 JKBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 587865101 QQBFOQUDABJGTO-UHFFFAOYSA-N 490.316 5.792 5 1 JKBF CC(C)(C)OC(=O)NCCOc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21 1857586851 KQZBUDJAONRRBN-UHFFFAOYSA-N 458.514 6.068 5 1 JKBF Cc1ccc(-c2ccc3c(c2)C[C@H](C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCC3)cc1 72106410 DLDMBICNXCWVTP-GDLZYMKVSA-O 497.703 6.551 5 1 JKBF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 105176906 VBOKWFGISNRBSQ-CTYSVTFSSA-N 491.636 5.653 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)c(Cl)cc2c2c(Cl)c(Cl)ccc12 169338447 QQJYUCUJJDOGAI-JOCHJYFZSA-N 487.298 8.542 5 1 JKBF Clc1ccc(CC/C(=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc2)cc1 587073568 LFHZHXJCPKPWIC-DYTRJAOYSA-N 460.968 7.486 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587181977 APNQCVCJMAGOIG-UHFFFAOYSA-N 478.471 5.159 5 1 JKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)o1 587265648 RNPLIYBDNWOECY-UHFFFAOYSA-N 468.185 6.059 5 1 JKBF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)nc3c2)cc1 587271564 GBPSUJOKVPLISS-UHFFFAOYSA-N 481.464 6.509 5 1 JKBF CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)c4coc5cc([N+](=O)[O-])ccc45)cc3n2)cc1 587279790 AUHMRNUHBGPBKR-UHFFFAOYSA-N 494.429 6.424 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)N1 587842015 CRAKPRBPGSIPHR-MCMMXHMISA-N 479.415 6.545 5 1 JKBF O=C(c1cc2ccccc2o1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 653840598 GPNJRBKIGAMHDE-QFIPXVFZSA-N 470.485 5.072 5 1 JKBF C[C@@](C(=O)O[C@H]1C[N+]2(CCc3cccc(Cl)c3)CCC1CC2)(c1cccs1)N1CCCCC1 43196328 HUYMQVAQICPEIT-XRFQPOIASA-N 488.117 5.498 5 1 JKBF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 82134660 UWWPEOZGKBKMRO-SBUREZEXSA-N 477.540 5.154 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 587332307 FYRUSCKRFYTYIO-DSBYRVASSA-N 492.459 5.803 5 1 JKBF COc1cc2c(cc1OC)[C@H](c1ccc(OCc3ccccc3[N+](=O)[O-])c(OC)c1)N(C)[C@@H](C)C2 962627479 PMONUAXSWSSKSF-SOKVYYICSA-N 478.545 5.165 5 1 JKBF C[C@H](COc1ccc([N+](=O)[O-])cc1Cl)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 198905835 USMGQCVTFJRLED-NRFANRHFSA-N 495.019 5.911 5 3 JKBF Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587118741 ODYQUGDAEZVTGY-SECBINFHSA-N 494.474 5.939 5 1 JKBF COC(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511147 DUKONQLBNDDPGC-VWLOTQADSA-N 473.481 5.759 5 1 JKBF O=C1C[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587529949 AFWYKODWKGQOHF-XMMPIXPASA-N 479.985 7.126 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 587547490 LVQQTPLPJQRCHB-BVAGGSTKSA-N 489.867 6.449 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)N1 587743287 AHJQEMMRASSFBR-WHEQGISXSA-N 485.309 5.339 5 1 JKBF Cc1c([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 963105513 MRNOFHAWYFNPDZ-LXFBAYGMSA-N 455.533 6.155 5 1 JKBF CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2cccc([N+](=O)[O-])c2)c1 13827754 STGJPZYRAQXYIG-UHFFFAOYSA-N 465.554 5.548 5 1 JKBF Cc1ccc(CCNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82136185 SXRCTCFVUMEBIY-UHFFFAOYSA-N 489.620 5.769 5 1 JKBF COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 103210587 GBSRALRNVGTJCR-KRWDZBQOSA-N 464.194 5.008 5 1 JKBF CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C/2COc1cccc([N+](=O)[O-])c1 169362534 IGWUMALJWBDIHI-ZXVVBBHZSA-N 490.603 7.488 5 1 JKBF C[N@+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 299814873 VCNWWPPKTLBCIZ-IAFMXWEJSA-N 487.322 7.321 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@H]2CCCC[C@H]21 587026988 ODJSYNKRJXKKEU-WVQWTBLQSA-N 465.622 7.006 5 1 JKBF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2)cc1F 587147986 WOJTWRKYDYTSSH-UHFFFAOYSA-N 497.324 5.380 5 1 JKBF CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328490 USGRWJSSTCJCTO-WIOPSUGQSA-N 499.878 5.301 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2Cl)N1 587697337 OQLFVBILLLVMNX-AMXDTQDGSA-N 490.760 5.558 5 1 JKBF COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 587932835 QYGIYGPIZCDDLS-KDYSTLNUSA-N 463.578 6.367 5 1 JKBF Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 963018464 OCDZAAUQMYOIEL-UPVQGACJSA-N 489.915 5.279 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@H]3C3CCCCC3)c2c1 1857643578 OOXIOBKLBFIXOW-SANMLTNESA-N 484.065 5.756 5 1 JKBF C[S@](=O)c1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 103275006 DCSOWEQVIFMEFU-WJOKGBTCSA-N 492.741 5.070 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c4ccccc4c4ccccc4c3[nH]1)N2 587033334 YQVBAAWMDZTGEP-SLDJAQPHSA-N 470.623 6.996 5 1 JKBF Clc1cccc(COc2ccc(/C=C\c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2)c1 587072188 XGHGBORAVHVULM-RAXLEYEMSA-N 462.940 7.062 5 1 JKBF CN(CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587193745 GGEDVZAUDDKNHI-UHFFFAOYSA-N 499.574 6.083 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)cc2[N+](=O)[O-])N1 587749537 ZCBQWQIDFBWMAF-VERVWZFWSA-N 485.309 5.485 5 1 JKBF CC(C)CCCCCCCCCCCCOC[C@@H](O)CO[P@@](=O)(O)OCC[N+](C)(C)C 34074778 AMOPWGSYMORGDR-HSZRJFAPSA-O 468.636 5.151 5 1 JKBF CC(C)(C)OC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)CC1 84710553 HRCQJYOFKXFFGN-UHFFFAOYSA-N 480.030 5.959 5 1 JKBF CCc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)s1 105190613 TYEMZEHCWCUJRH-PQOQACGUSA-N 463.607 6.220 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(F)c(Br)c2[nH]1 587053822 GYTMCCAUKJVHTB-HNNXBMFYSA-N 469.698 5.153 5 1 JKBF C[C@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128429 ABJPIOKPGPCLML-SCSAIBSYSA-N 470.608 5.568 5 1 JKBF CCCC[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199583 KYEDPKPRGWWBHY-VWLOTQADSA-N 484.556 6.583 5 1 JKBF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 587271846 JQWOFYUUGFNSQE-UHFFFAOYSA-N 466.519 5.009 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c1)CC2=O 587459332 CNNMOYGCYXRBNW-QHCPKHFHSA-N 453.878 6.405 5 1 JKBF Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546679 JZWLPXBVZPQZOV-BVAGGSTKSA-N 488.883 5.441 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3c(F)cccc3F)c2c1 587620020 OMBLNVVLWCWIEO-UHFFFAOYSA-N 487.484 5.063 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2[N+](=O)[O-])N1 587681916 SINGRKSXJKABST-XYZCENFISA-N 458.125 5.057 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 587718591 IUJPZIOIJHNXFJ-GYKQLYQFSA-N 462.088 5.022 5 1 JKBF COc1cccc([C@H]2CC(=O)Nc3c2c2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc32)c1 1857643018 MPFPEBDOYOTMCH-QGZVFWFLSA-N 473.525 5.510 5 1 JKBF Cc1ccc(SC(C)(C)[C@@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 27754298 KBYHRISSWBEZAH-NWCMJKHSSA-N 486.590 5.710 5 1 JKBF O=[N+]([O-])c1cc2c(cc1CCCCc1sc(Nc3ccccc3)n[n+]1-c1ccccc1)OCO2 29063697 NBFNWLXQIJRHCK-UHFFFAOYSA-N 475.550 5.366 5 1 JKBF Brc1ccccc1-n1cc(Cn2c3ccccc3c3nc4ccccc4nc32)nn1 98082907 KTLAJGCFBJUXBX-UHFFFAOYSA-N 455.319 5.129 5 1 JKBF Cc1cc(C)c(Oc2ccc([N+](=O)[O-])c(NC3CCN(Cc4ccc(CO)cc4)CC3)c2)c(C)c1 103230422 DEJKZSJQOVPBKR-UHFFFAOYSA-N 475.589 5.881 5 1 JKBF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587050238 GLNIQGNTIRIDTM-UHFFFAOYSA-N 454.960 9.010 5 1 JKBF Cc1cc2[nH]c(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2cc1[N+](=O)[O-] 587116768 APBTXRSZBOINFC-NSHDSACASA-N 490.511 6.108 5 1 JKBF COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)c2n1 587280421 WOGGHXHAGXQSAS-UHFFFAOYSA-N 464.384 5.228 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 587571390 NRMSPRAZGYOGBQ-ZEQKJWHPSA-N 489.480 6.294 5 1 JKBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccc(C(C)(C)C)cc2)c1O 587943634 LPEISAFQLILZEA-UHFFFAOYSA-N 463.303 5.971 5 1 JKBF O=C(c1ccccc1)c1sc(N(c2ccccc2)c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 1857774806 TZQIFAFQLGLBNC-UHFFFAOYSA-N 477.545 7.419 5 1 JKBF O=[N+]([O-])c1cn(C[C@H](OCc2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2Cl)cn1 66078026 BCZJBVORIUDLAV-KRWDZBQOSA-N 476.238 5.955 5 1 JKBF CN1CCC(/N=c2\cc3n(-c4ccc(F)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 95577995 HHAPPHBWPHSCQM-HMZBKAONSA-N 478.575 5.403 5 1 JKBF O[C@H](C[C@@H]1CCCCN1)c1cc2ccc(Br)cc2c2cc(C(F)(F)F)ccc12 169338976 HWEWFDDMPFBCKK-HRAATJIYSA-N 452.314 6.340 5 1 JKBF CN(CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587193273 GOCQCAHKZFNQDQ-UHFFFAOYSA-N 460.465 5.034 5 1 JKBF C[C@@]1(Cc2ccc(Br)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537876 BKIYXEZGSPIRLB-UGKGYDQZSA-N 470.275 5.026 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587732774 JQWTYAFTQPAACK-DAIVJRRGSA-N 485.328 6.127 5 1 JKBF COc1c(O)cc2oc3c4c(cc(O)c3c(=O)c2c1C/C=C(\C)CC=C(C)C)OC(C)(C)C=C4 1857608194 MFSYWYMQJVDTEK-CXUHLZMHSA-N 462.542 6.395 5 1 JKBF COc1cc(/C=C/CN2CCN(Cc3c4ccccc4cc4ccccc34)CC2)cc(OC)c1OC 1857629458 RYGOTSCBPQOHQU-CMDGGOBGSA-N 482.624 5.850 5 1 JKBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4215754 MSVGDDVEJQUGLW-UQDCGMOVSA-N 475.948 6.279 5 1 JKBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149077 HCZSMGQWYVQWKZ-LEWJYISDSA-N 487.604 5.666 5 1 JKBF COc1cc2c3c(c4ccc(NS(=O)(=O)C(C)C)cc4c2cc1OC)CN1CCCC[C@@H]1C3 473113823 HOSXZPASGIYTBL-GOSISDBHSA-N 468.619 5.071 5 1 JKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc12 587109280 FWJHPHRCLYXONV-UHFFFAOYSA-N 467.325 6.968 5 1 JKBF O=C(O)c1cc2[nH]c(-c3cncc(F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587177062 NEGWYTNJRPTGSE-UHFFFAOYSA-N 467.412 5.046 5 1 JKBF CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587217565 DKVXIVIBFSRGHM-MRXNPFEDSA-N 488.928 5.214 5 1 JKBF COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)c4coc5cc([N+](=O)[O-])ccc45)c3n2)cc1 587280540 ZIRRYKHCSUFBJC-UHFFFAOYSA-N 482.374 5.309 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587736516 SEIMOZMPBJVNRJ-WHEQGISXSA-N 459.290 5.462 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 587847879 MIWRBBFDEMINHJ-LAJNKCICSA-N 461.356 6.023 5 1 JKBF COc1cc(C(=O)c2cn(-c3ccc(F)cc3)cc2-c2ccccc2[N+](=O)[O-])cc(OC)c1OC 1857534089 CJJMCGWAIAUCHA-UHFFFAOYSA-N 476.460 5.448 5 1 JKBF COc1ccc2c(c[n+]3c4c2cc(Cc2ccc(F)cc2)c2c5c(cc(c24)CC3)OCO5)c1OC 1857537776 FQBNQNRRRXWTBH-UHFFFAOYSA-N 468.504 5.466 5 1 JKBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(-c3ccc(Cl)c(Cl)c3)c(-c3ccccc3)nn12 1857610187 WIDKPQXTCLRTDY-UHFFFAOYSA-N 477.307 6.239 5 1 JKBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccccc2)cc1 13584439 HLVDROLPPWIHMK-UHFFFAOYSA-N 453.527 5.742 5 1 JKBF O=[N+]([O-])c1cc2c(OCC[C@H]3CCCCN3)c(-c3ccc(Cl)cc3)c(O)nc2cc1Cl 29468500 JAPKVDPOGKWZBJ-OAHLLOKOSA-N 462.333 5.733 5 1 JKBF O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 40429921 YRUJXFVYNYWIHD-IBGZPJMESA-N 494.536 5.431 5 1 JKBF CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 71319250 VTMWBCABCAVJHF-IBGZPJMESA-N 458.835 5.642 5 1 JKBF COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCC4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 82163587 RMTZFWMWWMYOOO-UHFFFAOYSA-N 489.557 5.460 5 1 JKBF C[C@H]1C[C@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82163693 ISLKXQYWCSCTEP-ROUUACIJSA-N 471.586 6.325 5 1 JKBF CCO[P@@](=O)(Cc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1)c1ccccc1 169346775 JTAWGELRNFFWCF-UMSFTDKQSA-N 474.457 5.936 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)cc2[nH]1 587057525 YDTXAUKREDEFBL-MRXNPFEDSA-N 451.708 5.014 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587157760 CJGAICVZZATETI-IBGZPJMESA-N 476.689 6.195 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)c(O)c([N+](=O)[O-])c1 587572926 AMCKRKYTQVJDDV-HOFKKMOUSA-N 485.448 5.288 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)N1 587691883 DVAUJZDCEKNEMR-YBTHPKLGSA-N 464.722 5.564 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)N1 587723539 AZJYKEWWHMRNKO-RKFFSXRUSA-N 493.279 6.191 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)N1 587743690 BFYGQHWXPYSSNM-BSEYFRJRSA-N 495.352 5.393 5 1 JKBF C[C@]1(COCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2S1 1772604821 GHXMDSXCRADJIW-HXUWFJFHSA-N 465.453 5.438 5 1 JKBF O=c1nc(N2CCOCC2)oc2ccc3cc(-c4cccc5c4sc4ccccc45)ccc3c12 1772640377 TZQAVWKZTDZBDE-UHFFFAOYSA-N 464.546 6.213 5 1 JKBF Cc1ccc2c3c(ccc(N(C)Cc4ccc(S(=O)(=O)c5ccc([N+](=O)[O-])cc5)cc4)c13)NC2=O 13450227 ANWVROPVLAZPAF-UHFFFAOYSA-N 487.537 5.091 5 1 JKBF Cc1cc(C)cc(-c2c(OCC[C@@H]3CCCCCN3)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 26577396 GZWHNYKBUBPTSV-SFHVURJKSA-N 469.969 5.675 5 1 JKBF CC[C@H](c1ccc(O)c(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)[C@@H](CC)c1ccc(O)cc1 29401631 MLORPVDQFWDMDN-BJKOFHAPSA-N 493.560 6.646 5 1 JKBF Cc1nc2c3ccccc3ccc2c2nc3c(ccc4ccccc43)c(-c3cccc([N+](=O)[O-])c3)c12 103299560 IZTPXSMJLKEVKY-UHFFFAOYSA-N 465.512 8.126 5 1 JKBF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(F)(F)F 587711441 KFGSTEWRHQNADZ-YYSFKGJASA-N 493.251 5.070 5 1 JKBF O=[N+]([O-])c1ccc([C@@H]2CCCCCC[C@@]23NC2(CC2)Cc2ccc(Br)cc23)cc1 961612102 DZGCLDUAOJRAAZ-XUZZJYLKSA-N 455.396 6.369 5 1 JKBF O=[N+]([O-])c1cccc([C@]2(c3ccc(F)cc3)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962963672 YIUGLWYELQSEJK-VWLOTQADSA-N 486.465 5.696 5 1 JKBF O=C(NCC1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2Cc1ccco1)c1ccc([N+](=O)[O-])cc1 61921154 UVYWIJCABZPOPM-ABYGYWHVSA-N 493.563 5.962 5 3 JKBF C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)C(c1ccccc1)c1ccccc1 13677739 UXNXHAOFURMXED-UHFFFAOYSA-N 488.120 8.159 5 1 JKBF C[N+](C)(C)CCO[P@](=O)(O)OCCCCCCCCCCC=C1C2CC3CC(C2)CC1C3 27868212 AAGWSACWCSZPQY-UHFFFAOYSA-O 470.655 6.720 5 1 JKBF O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncccc2C(F)(F)F)cc1[N+](=O)[O-] 38149578 WKRLUBSIUQTXGK-UHFFFAOYSA-N 455.314 5.947 5 1 JKBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135955 CRFHDULMHMGBQK-UHFFFAOYSA-N 487.604 6.095 5 1 JKBF CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163486 IIWOMVYVSXFAOC-HTAPYJJXSA-N 463.582 6.739 5 1 JKBF Cc1oc(-c2cnc(NCCOc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163591 NUDVBASVAUHQBZ-UHFFFAOYSA-N 493.523 6.173 5 1 JKBF O=C(c1ccc2oc3ccc(C(=O)N4CC5CCC(CC5)C4)cc3c(=O)c2c1)N1CC2CCC(CC2)C1 169315487 SDWDTSRPISCAIV-UHFFFAOYSA-N 498.623 5.471 5 1 JKBF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2C1 587035555 YBGIYGJOGMOSGG-UHFFFAOYSA-N 457.559 5.681 5 1 JKBF O=[N+]([O-])c1cncc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 587075845 KOLZNCBLIYBIDX-RVDMUPIBSA-N 453.889 6.222 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(/C(=C\c3ccccc3[N+](=O)[O-])N3CCC2CC3)[C@@H]1c1ccc(F)cc1 587340151 VCRAHSMABPVTNR-VMPLBIHPSA-N 486.499 5.304 5 1 JKBF CCOC(=O)C[C@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587501379 AIEVZDUEKHZGME-QHCPKHFHSA-N 478.328 5.594 5 1 JKBF O=C(C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Nc1ccccc1 587574656 GEQBRZZKIZIQGR-NAKRPHOHSA-N 496.475 5.186 5 1 JKBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCCC2OCC(C)(C)CO2)(c2ccc([N+](=O)[O-])cc2)N1 962947563 BZGGANRBFGLZGV-MMTVBGGISA-N 477.605 5.813 5 1 JKBF C[C@@](O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857608492 CUPRGQUHAYKITN-MRXNPFEDSA-N 468.375 5.114 5 1 JKBF Cc1ccc2c(c1)[C@@](OCC1(CO)CC1)(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C2=O 72125994 WYZAIUCULDUWHO-MHZLTWQESA-N 492.959 5.203 5 1 JKBF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82147801 MWTPLIPTYQFWQF-HTAPYJJXSA-N 451.571 5.353 5 1 JKBF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586982945 SGTZJILHPBDREC-ZDUSSCGKSA-N 481.188 6.369 5 1 JKBF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 586984032 GCBVTOBVSIEJQX-QFIPXVFZSA-N 458.359 6.052 5 1 JKBF Cc1cc2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)[nH]c2cc1[N+](=O)[O-] 586984275 DPWQPAFLZHVQON-UHFFFAOYSA-N 451.280 5.461 5 1 JKBF COc1ccc(-c2nnc(-c3ccc4nc(-c5cncc(-c6cccc([N+](=O)[O-])c6)c5)[nH]c4c3)o2)cc1 587270988 ZZBYCKMKOYYVRK-UHFFFAOYSA-N 490.479 5.926 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(-c5nc6ccccc6s5)ccc4[nH]3)cc2)cc1 587272598 VXJCCMXSKFBHCQ-UHFFFAOYSA-N 464.506 7.207 5 1 JKBF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccc([N+](=O)[O-])cc1 587750127 GTAAVLMODOSXER-ZAMGYDSWSA-N 487.325 5.921 5 1 JKBF CN(C)Cc1ccc(CSCCNc2nnc(-c3ccccc3)c(-c3ccccc3)c2[N+](=O)[O-])o1 1772593233 WUSIWPKVWUINMQ-UHFFFAOYSA-N 489.601 5.719 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CCS[C@H]3c3ccccc3)c2c1 1857631511 FPTFGQFDVNQUBR-MHZLTWQESA-N 492.044 5.938 5 1 JKBF O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 1911572122 NAZMXFBOAVDVHE-UHFFFAOYSA-N 473.721 6.148 5 1 JKBF CC=C(C)[C@@H]1C(C)=C[C@@H]2[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)CC[C@H](C)[C@@H]2[C@@H]1C=CC=CC(=O)OC 2356873605 ZMVFZQUHAVPKMC-WKHULDKXSA-N 493.600 6.226 5 1 JKBF c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\CCN2CCOCC2)cc1 27636369 RUMCBCKMAAZJTL-GKPLWNPISA-N 475.596 5.107 5 1 JKBF CN(C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1 82149229 SWFOLRICBSMFLG-UHFFFAOYSA-N 493.995 5.765 5 1 JKBF CCCC[C@H](Nc1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1)C(=O)NCCc1ccccc1F 82195615 HSBBGJFHFBOGNK-IBGZPJMESA-N 486.569 5.196 5 1 JKBF C[N+]1(Cc2ccccc2)[C@@H]2CC[C@@H]1CC(N1CC(c3ccccc3)(c3ccccc3)NC1=O)C2 101078559 LTWQRFZUJAVEAS-PBNQPUKZSA-O 452.622 5.296 5 1 JKBF Clc1ccc2[nH]c3c(c2c1)CCc1c-3noc1-c1cc2c(ccc3ccccc32)nc1Cl 103300035 RBKRGSBDEZOMAN-UHFFFAOYSA-N 456.332 7.597 5 1 JKBF O=c1oc2ccc3ccccc3c2cc1-c1cc(-c2ccccc2Cl)nc(Cc2ccc(F)cc2)n1 473115810 UMTLOAQUQFWEOA-UHFFFAOYSA-N 492.937 7.454 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc(F)c2[nH]1 587055858 QSIRSHGYODDVNP-HNNXBMFYSA-N 469.698 5.153 5 1 JKBF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1F 587144957 SUIAEDQNUOIJLR-UHFFFAOYSA-N 470.254 5.279 5 1 JKBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587270868 SLXCOZWRSOZPOC-SFHVURJKSA-N 467.323 5.055 5 1 JKBF COc1cc2c3c(c1)O[C@](C)(Cc1c([N+](=O)[O-])ccc(OCc4ccccc4)c1F)[C@@H](C2)C3=O 587427305 SHSJUXIGPBJMNS-AFMDSPMNSA-N 463.461 5.070 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 587698000 XVSTZSXYKVENMD-CFMSYZGJSA-N 465.706 6.033 5 1 JKBF Cc1ccc(C(=O)Nc2cccc([C@@]3(C)NCCc4cccc(-c5ccccc5)c43)c2)cc1[N+](=O)[O-] 962661295 CDZJRMUHEGVJER-SSEXGKCCSA-N 477.564 6.232 5 1 JKBF COc1cc2c(=Nc3ccccc3C)c([N+](=O)[O-])c[nH]c2cc1OCCCN(C)Cc1ccccc1 1857566895 POLDIRNTSLXBIL-UHFFFAOYSA-N 486.572 5.526 5 1 JKBF O=C(CCN1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1csc2ccccc12 71294834 YNHUGQBAOKBGHE-UHFFFAOYSA-N 477.508 5.613 5 1 JKBF COc1ccc2c(C)c(CCc3nc4c5cccnc5c5ncccc5c4[nH]3)c(=O)oc2c1C 586919242 XXBZAZGRBXUORG-UHFFFAOYSA-N 450.498 5.176 5 1 JKBF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cs2)cc1 587014319 PSJNYIJJSOJJNG-UHFFFAOYSA-N 496.505 5.441 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)N1 587742809 BBQKPFUGHOIBMB-WHEQGISXSA-N 487.325 5.405 5 1 JKBF COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c([N+](=O)[O-])c1 587746052 IUFLYJBDQVCOCE-WIUDPPPLSA-N 461.287 5.389 5 1 JKBF Cc1ccc2oc3nc(C)c([C@@]4(C)N[C@@H](C)Cc5ccc(F)c(Br)c54)cc3c(=O)c2c1 587778976 PNMCWOFBECUWNF-ZJWNCGCPSA-N 481.365 5.657 5 1 JKBF CC[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962648814 XAJXDTLJRGBLRU-QDPGVEIFSA-N 452.558 5.477 5 1 JKBF Nc1ccccc1NC(=O)c1ccc(CSC(=S)N2CCc3ccc([N+](=O)[O-])cc32)cc1 1857648592 NYHDJEKBIYOZFS-UHFFFAOYSA-N 464.572 5.010 5 1 JKBF CC(C)=C(C)c1ccc2c(c1)c(-c1ccc(OCCN3CCCCC3)cc1)cc1cc(O)cc(C)c12 13494070 NEOSJNQOWQEQPD-UHFFFAOYSA-N 479.664 8.352 5 1 JKBF CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](Oc1cc2ccccc2c2ccccc12)c1ccnc2ccc(O)cc12 13783106 OVOHVXCZSNSNOD-FRJNAGCKSA-N 488.631 7.487 5 1 JKBF O=[N+]([O-])c1cccc(-c2ccc([C@@H](O)c3cc4cc(-c5cccc([N+](=O)[O-])c5)ccc4o3)cc2)c1 103190766 ZVBBXKIXLYIHIW-HHHXNRCGSA-N 466.449 6.665 5 1 JKBF O=[N+]([O-])c1cccc(-c2ccc(-c3cnnc(N4CC[C@@H](c5cccc(Cl)c5)C4)n3)cc2)c1 103226971 LHWLZLCRIFXEQO-OAQYLSRUSA-N 457.921 5.761 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(Cl)ccc12 169338962 OUUQTLAORTZREH-DEOSSOPVSA-N 452.853 7.889 5 1 JKBF Nc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc1F 587139487 LOYHYHGRGDRIOT-UHFFFAOYSA-N 481.439 5.233 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 587541212 DVXBCDRHTJGJSW-JYFHCDHNSA-N 473.868 5.859 5 1 JKBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1[N+](=O)[O-] 587575277 IMPOZXFSUAPDON-LSYYVWMOSA-N 499.475 5.591 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Sc1ccccc1 587613244 NJBMUASRGYRRIR-ZEQKJWHPSA-N 471.490 6.155 5 1 JKBF Cc1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 587749456 YEWGJRLEYOSZPY-FATZIPQQSA-N 471.326 6.221 5 1 JKBF CCc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587752892 ULLAQBPUAYGACM-WHEQGISXSA-N 459.315 5.478 5 1 JKBF COc1cccc(C(=O)c2ccc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)cc2)c1 587931206 GCYSNIUOXIDPJT-UHFFFAOYSA-N 452.264 5.140 5 1 JKBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(Cl)c1Oc1ccccc1OC 587940408 JCHBBZUFESCNCZ-HNNXBMFYSA-N 460.914 6.067 5 1 JKBF CCN(CCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1N(C)C 1772602586 NNIIWFQPWSPYRD-UHFFFAOYSA-N 462.615 5.477 5 1 JKBF CC(C=CC=C(C)C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O 2356707083 YMOJEHLMENKTSQ-UHFFFAOYSA-N 460.614 7.614 5 1 JKBF CCN(CC)c1oc2ccc3ccccc3c2c(=O)c1Cc1c(OC(C)=O)ccc2ccc(=O)oc12 101458322 LJBBINFXYAJMJN-UHFFFAOYSA-N 483.520 5.415 5 1 JKBF Cc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1Br 587119448 WIMIBQYHNHEQPY-UHFFFAOYSA-N 480.244 5.473 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N1 587698414 PZYFOJASFRPTKD-FVINQWEUSA-N 465.706 6.033 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)N1 587842457 FFHQHXSTLDQPFR-WYRIXSBYSA-N 475.343 5.061 5 1 JKBF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2ccc([N+](=O)[O-])c(Cl)c2Cl)N1 963184793 UCRFXSVSKAZGCY-NHYWBVRUSA-N 469.630 5.262 5 1 JKBF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 963233175 TVOJYAXEXQAVII-RCZVLFRGSA-N 471.538 5.124 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](c1cccc(O)c1)C1=C(COC1=O)N3 1772624146 UGYTXUCVKZDVNO-VWLOTQADSA-N 499.519 5.101 5 1 JKBF CCN1CCC[C@]2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)C1=O 73129791 SUJPLSLDZHKORQ-WJOKGBTCSA-N 483.656 5.322 5 1 JKBF O=C1S/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 103203285 OSYSUJFUEXVGBK-JCMHNJIXSA-N 468.494 5.688 5 1 JKBF COP(=O)(OC)[C@H](OC(=O)COc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 103206363 OPOMFWAKYIFUTO-KRWDZBQOSA-N 464.194 5.008 5 1 JKBF O=C(O)c1cc2[nH]c(-c3cnc(Cl)s3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587023015 IDHAFLHSOGVFDJ-UHFFFAOYSA-N 489.896 5.622 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587116883 LTUKASZXLCKMAK-UHFFFAOYSA-N 478.656 5.222 5 1 JKBF Fc1ccc(Br)c(-c2nnc(CCc3nc4c5cccnc5c5ncccc5c4[nH]3)o2)c1 587156915 BTDXIEPDNXMVLP-UHFFFAOYSA-N 489.308 5.396 5 1 JKBF O=C(O)Cc1c(-c2ccc3ccc4cccc5ccc2c3c45)nc2cccc3c2c1-c1ccccc1C3=O 587207357 SBAMKOGOIYRUSB-UHFFFAOYSA-N 489.530 7.638 5 1 JKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)o1 587265134 NSQFUZPLIUQCTN-UHFFFAOYSA-N 468.185 6.059 5 1 JKBF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc([N+](=O)[O-])c21 587342611 OJSREPOXXVRWKO-LBNVMWSVSA-N 481.435 5.287 5 1 JKBF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc4ccc5cccc6ccc1c4c56)[C@@H](C2)C3=O 587447238 OERQBUUJGJEDIA-YUDQIZAISA-N 462.501 6.100 5 1 JKBF O=C(C[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3)Nc1ccccc1 587512364 NCOARHLYQGUEJR-HHHXNRCGSA-N 456.498 5.363 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 587748582 ABOXUEQBRMITGE-BGJPBQGDSA-N 483.293 5.001 5 1 JKBF O=C(O)[C@H]1CC[C@H](C[C@@]2(c3ccc([N+](=O)[O-])cc3)NCCc3cc(-c4ccccc4)ccc32)CC1 962660445 HNSFOBCLWZTEDJ-GOGYHYQUSA-N 470.569 5.932 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@H]3c3ccc(F)cc3)c2c1 1857641999 RHPBNMDKFLDRSK-SANMLTNESA-N 496.007 5.687 5 1 JKBF O[C@H]1c2cc3ccc([nH]3)c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c(n2)[C@@H]1O)C=C4)[nH]3 26162055 MFHYGFIVJZPMFC-ACHIHNKUSA-N 496.570 6.586 5 1 JKBF CCN(CC)c1cc(Nc2c3ccc(Cl)cc3nc3nc(N)nc(N)c23)cc(N(CC)CC)c1O 28366766 KPSMKVLNHOITSF-UHFFFAOYSA-N 495.031 5.137 5 1 JKBF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2cccc([N+](=O)[O-])c2)c14 96927900 YDJMFQXPHNWEKG-TZCXJBIQSA-N 491.632 6.259 5 1 JKBF O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC(CCN2CCC(c3c[nH]c4ccccc34)CC2)CC1 138620177 NEEJWLISCLQDPL-YFHOEESVSA-N 486.616 5.598 5 1 JKBF O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)[C@@H]1c1ccc(F)cc1 587354392 QKJJEAAWWYYYJC-ZFEZZJPFSA-N 498.553 8.019 5 1 JKBF COC(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511145 DUKONQLBNDDPGC-RUZDIDTESA-N 473.481 5.759 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 587576214 NIZMCTZHTGPZRG-OZXSUGGESA-N 455.422 5.796 5 1 JKBF CCC[C@H](CC1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782698 WWRJFEOMNXFONZ-GOSISDBHSA-N 480.521 5.741 5 1 JKBF COc1cc(OC)c([C@H](c2ccccc2)c2c(O)cc(O)c3c(=O)c4ccccc4oc23)cc1OC 1772571770 CUWFWBSLQGSBCG-VWLOTQADSA-N 484.504 5.563 5 1 JKBF CCN(CC)CCNc1c2cc(/C=C/c3ccc(SC)cc3)ccc2nc2c1oc1ccccc12 1857641728 SLXNVRCFHQKGBM-ZHACJKMWSA-N 481.665 7.780 5 1 JKBF O=C1c2ccccc2[C@@](OCc2ccc(Cl)c([N+](=O)[O-])c2)(c2ccccc2)N1Cc1ccccc1 35064354 SJJJFHYCBPENCS-NDEPHWFRSA-N 484.939 6.322 5 1 JKBF CCOP(=O)(NCc1ccc(NCCN(CC)CC)c2c(=O)c3ccccc3sc12)OCC 100892350 OISBITGINOJOCW-UHFFFAOYSA-N 491.594 5.439 5 1 JKBF Clc1cc(NCCN2CCCC2)c2cc3c(nc2c1)c1cc(Cl)ccc1n3CCN1CCCC1 299858890 FBPAYSGUOMBIJT-UHFFFAOYSA-N 496.486 6.253 5 1 JKBF Brc1ccc(-c2ccc(/C=C/c3nc4c5ccccc5c5ccccc5c4[nH]3)o2)cc1 586999120 VZUVOZOPQKXZEK-JQIJEIRASA-N 465.350 8.062 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3cccc(I)c3)[nH]c12 587183988 MXPHUSVSDKXTOP-SNAWJCMRSA-N 470.064 5.009 5 1 JKBF CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3[nH]1)(c1ccc([N+](=O)[O-])cc1)CC2=O 587472561 JVNDGYDJGLWZIT-AREMUKBSSA-N 457.486 5.233 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 587846133 GQJGHFDTVRSCID-LAJNKCICSA-N 461.356 6.023 5 1 JKBF CCCCNC[C@H](O)COc1cc(OCCc2ccc(Cl)cc2)c2c(=O)c3ccccc3oc2c1 1772571346 BNLMTUJOBKZNNF-NRFANRHFSA-N 496.003 5.351 5 1 JKBF Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCCCCC4)cc3)c21 28525579 BARFULUVAFOHAK-UHFFFAOYSA-N 486.637 6.724 5 1 JKBF COc1ccc(Cl)cc1C(=O)Nc1ccc(C2=NN(C)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 96934185 BIOSXSSWEOAGCO-QFIPXVFZSA-N 464.909 5.290 5 1 JKBF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2c3ccccc3cc3ccccc23)cc1 169702679 VSTSWOMAQDPUJN-UHFFFAOYSA-N 467.472 5.512 5 1 JKBF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587109134 TYWLNMNCMAIBSJ-KRWDZBQOSA-N 497.502 5.204 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587109805 JXPABNBPVBXSSV-UHFFFAOYSA-N 468.151 5.862 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1cccc([N+](=O)[O-])c1)CC2=O 587473154 QLIABYKBOSHJKO-VWLOTQADSA-N 469.497 5.812 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn12 587574272 DXMQKRFRLYXEEC-AJTFRIOCSA-N 479.448 5.318 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1SCc1ccccc1 587612927 LMWDVWLUFBNQDU-RPLLCQBOSA-N 485.517 6.296 5 1 JKBF CCCCc1c(-c2ccc(N)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621018 LQOKFTYDLOJKMC-UHFFFAOYSA-N 494.573 5.477 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc2)N1 587745658 ICYZZELLNMKFOX-AMXDTQDGSA-N 485.309 5.485 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc2)N1 587749906 ZZSLMWUEYJRDAS-AMXDTQDGSA-N 485.309 5.485 5 1 JKBF COc1oc(CCC(C)=CC(C)=CC(C)=CC(C)=Cc2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C 2356857262 DNKUZPCQKAFHJN-UHFFFAOYSA-N 463.574 7.048 5 1 JKBF O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(CCN2CCC(c3c[nH]c4ccccc34)CC2)CC1 45201280 OOHULTKXLPDYAH-UHFFFAOYSA-N 499.615 5.679 5 1 JKBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148461 SFTNOSZRULDTTK-RTBURBONSA-N 465.598 5.695 5 1 JKBF CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N=C(SCc2ccccc2)N1 102254619 WQYQQVKKFMADEV-HSZRJFAPSA-N 476.533 5.580 5 1 JKBF COc1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc([N+](=O)[O-])c1O 104034129 BGHCOHJMARRHNQ-NPMABZOXSA-N 463.515 6.000 5 1 JKBF Cc1cc(-c2csc(-c3ccc(-c4ccccc4[N+](=O)[O-])c(C(=O)O)c3)n2)ccc1Cl 204990578 UIYAJQXLAFNAOY-UHFFFAOYSA-N 450.903 6.712 5 1 JKBF Cc1cc2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc2cc1[N+](=O)[O-] 587013888 CRRVQCYNZPADDE-UHFFFAOYSA-N 465.535 5.841 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)N1 587841540 BPCJFWSWBIOPDZ-XMHCIUCPSA-N 473.367 6.271 5 1 JKBF COC(=O)c1ccc(Oc2ccc([C@H]3c4c(ccc(OC)c4OC)C[C@@H](C)N3C)cc2[N+](=O)[O-])cc1 962620333 GXMCUKZXOURBQX-CPJLOUKISA-N 492.528 5.157 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc([C@@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)cc2)cc1 962637250 KVVCQBRIHFXMEU-FREGXXQWSA-N 477.564 6.223 5 1 JKBF CC(C)(C)[C@H]1CCc2c(sc3nc(SCc4ccc(C(=O)O)cc4[N+](=O)[O-])nc(N)c23)C1 1857634921 SBQVYSJPXGZKLV-ZDUSSCGKSA-N 472.592 5.323 5 1 JKBF Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN21 13541244 AEMQDLSNILVURF-GOIZPCHYSA-N 499.592 5.030 5 1 JKBF COc1ccc(COC(=O)[C@@H](c2ccc3c(c2)OCO3)c2c3ccccc3nc3ccccc23)cc1 26752128 XRBYSZSXEPYWSC-NDEPHWFRSA-N 477.516 6.001 5 1 JKBF CCN(CC)c1ccc2nc3c4ccc(OCCCC(=O)O)cc4c(=O)c(Br)c-3oc2c1 29123203 ZARFXICVDWFOON-UHFFFAOYSA-N 499.361 5.298 5 1 JKBF CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)s1 82163540 TYEMZEHCWCUJRH-ZEPOWFQYSA-N 463.607 6.220 5 1 JKBF O=C(Nc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1 96167979 WLGRPJZUKGXPCI-UHFFFAOYSA-N 480.424 5.058 5 1 JKBF COc1ccc2c(c1OC)C[N@@+]1(Cc3ccc(Cl)cc3)CCc3cc4c(cc3[C@H]1C2)OCO4 257833121 JFHJIDRQICNTGZ-BTYSJIOQSA-N 464.969 5.456 5 1 JKBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587049942 JXVWCGWTDICMDO-ZHACJKMWSA-N 484.947 5.703 5 1 JKBF Cc1[nH]c2ccc(F)c(Cl)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587631362 KFEKDQXMXVRVFS-IRLDBZIGSA-N 478.863 5.727 5 1 JKBF Cc1onc(-c2c3ccccc3cc3ccccc23)c1C(=O)N(CCCN(C)C)CCCN(C)C 40863692 XIDLHNCBYDKUQS-UHFFFAOYSA-N 472.633 5.302 5 1 JKBF COc1cc([C@@H](CC(=O)c2cccc(F)c2)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 49808658 IDWGZQMADMFOIG-HXUWFJFHSA-N 454.454 5.186 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc([N+](=O)[O-])cc1 82148656 CDQVQBASPAXHTK-UHFFFAOYSA-N 461.566 5.115 5 1 JKBF COc1ccccc1N1CCN(CCCOc2cccc3c(=O)c4ccc(Cl)cc4oc23)CC1 95598383 CAESXNNVFIKIAV-UHFFFAOYSA-N 478.976 5.199 5 1 JKBF O=C(CCCc1ccc2ccc3cccc4ccc1c2c34)n1ncc2ccc(Cl)cc2c1=O 587652079 KSXIZOFXOYPCSA-UHFFFAOYSA-N 450.925 6.610 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587730417 FTVJOGOZCDBOII-MCMMXHMISA-N 459.290 5.462 5 1 JKBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587946594 ZPGDRHNYTCYXOK-INIZCTEOSA-N 454.498 6.033 5 1 JKBF COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)[C@H](C)O)N2c2ccc([N+](=O)[O-])cc2)cc1 653801325 RKSCFLCDNKHGGP-IVCQMTBJSA-N 462.477 5.142 5 1 JKBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](c2cccc(F)c2)(c2cccc([N+](=O)[O-])c2)N1 963165008 BGOAOLSWYJOCGN-XMSQKQJNSA-N 494.828 5.297 5 1 JKBF Cc1ccc(SC(C)(C)[C@@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1 36242469 KBYHRISSWBEZAH-FYFQDWPSSA-N 486.590 5.710 5 1 JKBF CCN(CC)CCNc1cc(Cl)cc2nc3c4ccccc4n(CCN4CCCC4)c3cc12 299861895 IUKHVUAJUOMMHY-UHFFFAOYSA-N 464.057 5.846 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)cc2)nc1C(F)(F)F 587117812 GRBJXTYRVKWMNF-UHFFFAOYSA-N 457.199 5.104 5 1 JKBF CCCCN(Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587192822 FOSBKUGIKCTKGB-UHFFFAOYSA-N 470.529 6.022 5 1 JKBF C[C@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370856 CKXVPWNFFRXCHK-ZJSXRUAMSA-N 496.541 5.959 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N1 587693460 DHRHDYVIDDGVQJ-IPQOISQHSA-N 491.744 6.566 5 1 JKBF O=C1c2ccccc2[C@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c2cccc([N+](=O)[O-])c21 962957351 NGRXHTZNQNDDOG-AREMUKBSSA-N 494.469 5.101 5 1 JKBF CC[N+](CC)(CCO)CCCCCCCCCCCCCCCC[N+](CC)(CC)CCOC 27556298 YBIPSRSKRXFSLG-UHFFFAOYSA-N 472.843 6.800 5 1 JKBF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(O)cc(C)c(Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c21 84653465 PYYBMQQYPOEBTO-IXFSTUDKSA-N 466.578 7.471 5 1 JKBF Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1-c1nnc(SCc2cccc([N+](=O)[O-])c2)o1 84655284 ZTNMTBQTYRWRFW-UHFFFAOYSA-N 461.425 5.356 5 1 JKBF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1Cl 586964032 WAWUZLHGDOLRGK-UHFFFAOYSA-N 499.987 5.444 5 1 JKBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1[N+](=O)[O-] 587513266 QYOPUGTXJZYFMZ-VWLOTQADSA-N 459.498 5.768 5 1 JKBF O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 774598 YFTAOTUJDUYVNZ-SJLPKXTDSA-N 476.316 5.257 5 1 JKBF C[C@]1(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576717 PJQYQVHDTDOIQB-LBNVMWSVSA-N 483.476 5.756 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2Cl)N1 587696611 LOXAQQYQVSIIDK-AMXDTQDGSA-N 490.760 5.558 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 587750949 KSITTYXXAQNLTQ-WHEQGISXSA-N 457.299 5.912 5 1 JKBF O=C(O)c1cc2[nH]c(CC3CCCCCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587960546 KEFULOZNWVKCDF-UHFFFAOYSA-N 482.536 6.358 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1[C@H]1c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963011278 FXFKUESMSZLSRS-VWNXMTODSA-N 489.915 5.279 5 1 JKBF CC(C)=CCCC(C)=CCc1c(O)cc2oc3cc(O)c4c(c3c(=O)c2c1O)C=CC(C)(C)O4 2356676619 VXBRNANXWNQRCY-UHFFFAOYSA-N 462.542 6.482 5 1 JKBF CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@H](c3ccccc3[N+](=O)[O-])[C@H]12 299847273 AVXDWKDDLIXKGO-ZRBLBEILSA-N 488.598 5.572 5 1 JKBF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2F)c1 587142754 BREKMHDUXXJAJQ-UHFFFAOYSA-N 486.253 5.414 5 1 JKBF O=C(Nc1cccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1)c1ccc(F)cc1 587162732 IOJVEXCFUOUYSE-UHFFFAOYSA-N 455.243 5.292 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(C(F)(F)F)cc(C(F)(F)F)cc4[nH]3)cc2)cc1 587272419 SCDAMOPSVVUSSG-UHFFFAOYSA-N 467.325 6.968 5 1 JKBF O=[N+]([O-])c1ccc(Oc2c(-c3ccc(Br)cc3)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587644369 WNUJSYXGRHYVHN-UHFFFAOYSA-N 454.236 6.206 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2[N+](=O)[O-])N1 587682710 VAOLZAYWDVJACP-VVVCHXIZSA-N 458.125 5.057 5 1 JKBF COc1ccc2c(c1)CC[C@@H](c1ccc([N+](=O)[O-])cc1)[C@]21c2cc(OC)ccc2CCN1C(C)C 962092268 NLFNFKSMNJDNNH-LITSAYRRSA-N 472.585 5.852 5 1 JKBF COc1c(O)cc2oc3cc(O)c(CC=C(C)CCC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 2356578005 ABFFWBKBJIQSFF-UHFFFAOYSA-N 478.585 6.816 5 1 JKBF CC(=O)N1c2ccccc2S[C@H]1c1cc([N+](=O)[O-])ccc1OCCCCN(C)C1CCCCC1 28008085 GPOKYYLVAGOZAD-SANMLTNESA-N 483.634 6.176 5 1 JKBF O=C(c1c(Nc2cc(Cl)cc(Cl)c2)nc2c(Cl)ccc([N+](=O)[O-])c2c1O)C1CC1 84602235 VFJXXDCXLPMUBR-UHFFFAOYSA-N 452.681 6.145 5 1 JKBF O=C(Nc1ccccc1)N1CC[C@H](CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84672131 GTVODJKJZCFONR-LJQANCHMSA-N 485.009 5.866 5 1 JKBF CCOc1cc(/C=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)cc(Br)c1OC 586978350 PGKRGDONYMZUOP-SEYXRHQNSA-N 473.370 7.210 5 1 JKBF CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 587055892 FLVKXECPXLYHHX-FZMZJTMJSA-N 494.335 5.302 5 1 JKBF O=[N+]([O-])c1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1 587110975 HILHETLKBAMCQO-UHFFFAOYSA-N 451.326 6.843 5 1 JKBF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O 587460790 PJOZIPNSEUXWON-XMMPIXPASA-N 472.324 6.469 5 1 JKBF Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546690 JZWLPXBVZPQZOV-ZEQKJWHPSA-N 488.883 5.441 5 1 JKBF Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccccc4)[nH]c4cccc([N+](=O)[O-])c34)c12 587649659 WAEMSJXGXNDELX-UHFFFAOYSA-N 454.442 5.684 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c([N+](=O)[O-])c2)N1 587681085 WDAAEVFGRDOOPY-HUTHGQBESA-N 458.125 5.057 5 1 JKBF O=C1c2cc(F)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(I)cc1F 653831387 LENYFLLYKFCJMH-UHFFFAOYSA-N 494.191 5.562 5 1 JKBF O=C(C[C@@]1(c2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1)Nc1ccc([N+](=O)[O-])cc1 962706783 ONQBWEJYRPUOQC-WXVAWEFUSA-N 491.588 5.370 5 1 JKBF O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 43061126 YIMZVETVJULTMF-VITNCHFBSA-N 468.664 5.563 5 1 JKBF COc1cc(-c2ccc3c(c2)Nc2ccc(NC(=O)c4ccccn4)cc2NC3=O)ccc1[N+](=O)[O-] 71788690 ABQXHONWWAJPQO-UHFFFAOYSA-N 481.468 5.227 5 1 JKBF C[C@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C 82135017 SGHCMNGNJTVYQY-LFUSFCIXSA-N 485.588 5.464 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82135372 PVUCWRHXASDPDI-NHCUHLMSSA-N 487.604 5.505 5 1 JKBF CCOc1cc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc(Br)c1OC 586978349 PGKRGDONYMZUOP-OUKQBFOZSA-N 473.370 7.210 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)N2 587030155 AACSUOJWLRYCBS-TXEUWIOXSA-N 494.396 5.361 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1 587567376 HIHHECJNCSTOSS-JYFHCDHNSA-N 491.402 6.074 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c([N+](=O)[O-])c2)([C@H](C)CC(=O)O)N1 587691354 DWDHYJATGAKPOP-HZNYWTHISA-N 485.737 5.038 5 1 JKBF O=[N+]([O-])c1ccccc1OCc1ccc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)o1 962642622 UUUBXHQVXVDFQD-MUAVYFROSA-N 481.552 5.603 5 1 JKBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135418 GGFDJXFJPOPPBO-RTBURBONSA-N 459.550 5.315 5 1 JKBF O=C(Nc1cccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 587244740 SYQSJCWTJUFKQJ-UHFFFAOYSA-N 490.519 6.423 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(/C(=C/c3ccccc3[N+](=O)[O-])N3CCC2CC3)[C@H]1c1ccc(F)cc1 587340145 VCRAHSMABPVTNR-REANAGFNSA-N 486.499 5.304 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 587748629 ASMRNHJCGRUWCH-XMHCIUCPSA-N 457.299 5.912 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 587751291 LWQFPQRNCVZRAH-NSYGIPOTSA-N 483.381 6.297 5 1 JKBF CCCc1cc2c3ccc(OC)c(OC)c3c(-c3ccccc3)[n+]3c2c2c(cc4c(c12)OCO4)CC3 1857602798 BEYZVJDAZPZGRY-UHFFFAOYSA-N 478.568 6.355 5 1 JKBF O=[N+]([O-])c1cccc([C@H]2CC(c3cc4cc(Br)ccc4o3)=Nc3ccccc3S2)c1 1857637366 MFPMKKGWHWZBNW-HSZRJFAPSA-N 479.355 7.461 5 1 JKBF CC(=O)C[C@@H](O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C 2356649617 RXWWNRBIVOMKOK-JGCGQSQUSA-N 474.729 8.863 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cc1Cl 586999097 VHBFIBLPTDQWSW-UHFFFAOYSA-N 458.699 6.133 5 1 JKBF O=[N+]([O-])c1cc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2cc1[N+](=O)[O-] 587012546 BTJFUKPQCQJDIM-UHFFFAOYSA-N 491.916 6.414 5 1 JKBF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587151905 VNCNXUJHBDWMGJ-UHFFFAOYSA-N 492.360 5.599 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 40164501 WLLMYDQRCSWAST-MJIZLIRWSA-O 472.690 6.557 5 1 JKBF endogenous,in-man Cc1ccc(CCNc2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82135471 CJAWUQXLEVGSLG-UHFFFAOYSA-N 473.577 5.420 5 1 JKBF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 82214787 HFUOCTHRQDYNDP-RDSLTJNQSA-N 491.636 5.843 5 1 JKBF CCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 82224590 WWDFWHXDAFTROH-SLWXAUBPSA-N 451.571 5.064 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c12 587081932 YPVVHBBYZIWBGS-UHFFFAOYSA-N 495.720 6.475 5 1 JKBF COc1cc(C(=O)c2cn(-c3ccccc3[N+](=O)[O-])cc2-c2ccccc2)cc(OC)c1OC 1857570716 GMEFYPYXCNBGHB-UHFFFAOYSA-N 458.470 5.309 5 1 JKBF CN(CCCCCCCCCCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1ccccc1 28641283 GQHNOERJFAPKTD-UHFFFAOYSA-N 485.668 7.968 5 1 JKBF in-vivo Cc1ccc(-n2cnnc2SCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1Cl 586967878 GWLIXQHFNFQABF-UHFFFAOYSA-N 455.974 6.704 5 1 JKBF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)n2n1 587119870 JVZFWSKIPDLJEV-UHFFFAOYSA-N 481.441 6.055 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)CC2=O 587471764 UKNMSWJLCZGGNY-SANMLTNESA-N 458.470 5.490 5 1 JKBF Cc1ccc(OCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 587565500 KFEHWYBZQMQMOM-UHFFFAOYSA-N 492.487 5.732 5 1 JKBF C[C@@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617833 LBTDEMWZFVLSKE-CVDCTZTESA-N 480.523 5.423 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])N1 587743985 CGZIIFZSVWPTRV-WHEQGISXSA-N 457.299 5.912 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 587753770 WRAKAHISCABUAG-PSLXWICFSA-N 471.326 6.086 5 1 JKBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(COc2ccc([N+](=O)[O-])cc2)c1 587863313 XYOOOGSNQISWFK-UHFFFAOYSA-N 497.429 5.753 5 1 JKBF CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4c4ccccc34)CC2)cc1 1772652438 PQWCNRGIOPAJTO-UHFFFAOYSA-N 459.615 5.196 5 1 JKBF O[C@@H](CCNC1CCCCC1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169337855 BEMGILGTLBYVBT-QHCPKHFHSA-N 469.469 7.376 5 1 JKBF Cc1c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979697 HZKUDCBQIUBXEN-UHFFFAOYSA-N 479.050 5.990 5 1 JKBF COc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1F 587038095 QIWDSBNAEGKKQX-UHFFFAOYSA-N 452.492 6.047 5 1 JKBF CC1=C(c2ccc3nc(-c4cc(-c5cccc(F)c5C)cc([N+](=O)[O-])c4)[nH]c3c2)NNC(=O)C1 587136194 DNPUWOQQJCKGDA-UHFFFAOYSA-N 457.465 5.008 5 1 JKBF CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1ccc([N+](=O)[O-])cc1)CC2=O 587458928 VGQBYMXHJSFIAD-XMMPIXPASA-N 482.330 5.924 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1)CC2=O 587464429 PZRYWOPTLBGDDQ-HSZRJFAPSA-N 487.430 6.771 5 1 JKBF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c1)CC2=O 587472703 LAENXXHUVFQPAN-MHZLTWQESA-N 474.513 5.694 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 587750602 JCSMYSKNWJOMBM-IPQOISQHSA-N 458.331 5.556 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1 587846521 USCCDKIRHMPSIF-DMZKTXOQSA-N 479.415 6.545 5 1 JKBF Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962648299 WUHLOULLBLJYQL-VIZCGCQYSA-N 476.580 5.216 5 1 JKBF COc1c(O)cc2ccc3cc(O)c4cc3c2c1Oc1ccc(cc1)CCc1cc(O)ccc1-4 1857541580 LPULVSOXDJVLEA-UHFFFAOYSA-N 450.490 6.676 5 1 JKBF COc1cc(=O)c(C)c([C@H]2CC(=CC(C)=CC(C)=CC(C)=Cc3ccc([N+](=O)[O-])cc3)CO2)o1 2356875808 QOHCHHZCWUSKRB-RUZDIDTESA-N 463.530 6.249 5 1 JKBF CC(C)=CCC/C(C)=C/Cc1c(O)cc2oc3cc(O)c4c(c3c(=O)c2c1O)C=CC(C)(C)O4 13310993 VXBRNANXWNQRCY-CXUHLZMHSA-N 462.542 6.482 5 1 JKBF biogenic,in-vitro C[N+](C)(C)c1cccc(C(=O)OCCCCCCCn2ccc3cc(OCc4ccccc4)ccc32)c1 27087726 WDKNNSVLHUTICC-UHFFFAOYSA-N 499.675 7.225 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 82163817 DDFRKAXFUVSHJN-UHFFFAOYSA-N 495.564 6.463 5 1 JKBF CCOc1cc(COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OCC)c1OCC 84725584 KOODWEWNUZXFTL-UHFFFAOYSA-N 455.463 5.408 5 1 JKBF Cc1cc(Br)ccc1-n1cccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 586981007 ISOCMHZQUQFYMG-UHFFFAOYSA-N 454.331 6.188 5 1 JKBF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC3 586986588 DDXPCOFEIQAHJV-INIZCTEOSA-N 467.437 5.436 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1Sc1nc3ccccc3s1)O2 587414179 LBUQATXWBAZLIF-LJQANCHMSA-N 463.540 5.953 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 587698006 XVSTZSXYKVENMD-SBKAZYGRSA-N 465.706 6.033 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])N1 587747605 OZPDVJJLNYSIBH-XMHCIUCPSA-N 457.299 5.912 5 1 JKBF CCCN1[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)c2ccccc2C[C@H]1C 963233401 TXYREPJTAJRSPH-NSYGIPOTSA-N 453.007 7.145 5 1 JKBF O=c1c2ccc(OCCNC34CC5CC(CC(C5)C3)C4)cc2[nH]c2ccc(Cl)c(Cl)c12 1857610878 LQIRCFKLTJRNAZ-UHFFFAOYSA-N 457.401 5.925 5 1 JKBF COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 82174643 ALYNCWWZQWNEKR-UHFFFAOYSA-N 489.532 5.020 5 1 JKBF CS(=O)(=O)c1ccc(/C=C2\SC(=O)N(Cc3c4ccccc4nc4ccccc34)C2=O)cc1 103186641 RBNZIKQSAGEIRJ-UCQKPKSFSA-N 474.563 5.028 5 1 JKBF C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 299806547 XOFUBFKYDOPJSX-HSKCSRMDSA-N 480.649 5.582 5 1 JKBF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cs2)cc1 587012908 NIYVJMGHGOMBDG-UHFFFAOYSA-N 469.498 5.672 5 1 JKBF Nc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587341269 YDPBWJVUEGJGMN-XNMGPUDCSA-N 470.456 5.324 5 1 JKBF Cc1ccc(COc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2Cl)cc1[N+](=O)[O-] 587503879 HFNWPGRRWKOSTQ-MUUNZHRXSA-N 491.971 6.895 5 1 JKBF COc1cccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 587649363 SQYBJCYTIVXACN-UHFFFAOYSA-N 484.468 5.693 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 587694601 MJRZNNHWSJSBTP-SBKAZYGRSA-N 465.706 6.033 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)N1 587745601 HYONOMPJQCEOAI-XMHCIUCPSA-N 486.297 5.231 5 1 JKBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587843159 HEXTTWDSHLSUOV-LFVRLGFBSA-N 487.394 6.580 5 1 JKBF CC(C)=CCOc1ccc2c(=O)c3ccc4c(c3n(C)c2c1OCC=C(C)C)C=CC(C)(C)O4 2356617745 PGRPQPXRPWRZCI-UHFFFAOYSA-N 459.586 6.566 5 1 JKBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4215137 CYBUCROSQSLBQM-MRDSIPGCSA-N 485.512 5.354 5 1 JKBF C[C@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C 82135186 VVXCECMPRYGPRT-DQHAIFDPSA-N 491.636 5.939 5 1 JKBF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1 82147900 IXHPCPRKGFPKOP-OPAMFIHVSA-N 479.968 5.626 5 1 JKBF O=[N+]([O-])c1cccc([C@]2(CCSc3ccc(Cl)cc3)c3ccc(F)cc3C[C@H]3CCCN32)c1 963105195 PLIXLYLPAWBZBN-ATIYNZHBSA-N 483.008 6.834 5 1 JKBF O=[N+]([O-])c1ccc2oc(C3=Nc4ccccc4S[C@@H](c4cccc5ccccc45)C3)cc2c1 1857751671 VINDCPAZBVLOEA-HHHXNRCGSA-N 450.519 7.852 5 1 JKBF COC(=O)c1cccc2nc3c([C@H](O)[C@H](CCCCCCC(C)C)C(=O)OC)cccc3nc12 2356383897 DQBJQIJYPPAUEG-CPJSRVTESA-N 466.578 5.389 5 1 JKBF O=C1S/C(=C/c2c3ccccc3nc3ccccc23)C(=O)N1Cc1ccc(Br)cc1 43173984 CLVMUFNPZQJGKR-LPYMAVHISA-N 475.367 6.387 5 1 JKBF O[C@H](C[C@H]1CCCCN1)c1cc2cc(Br)ccc2c2cc(Br)ccc12 169338467 ULDCKCBOSBRMMS-IIBYNOLFSA-N 463.213 6.084 5 1 JKBF COc1cc(-c2cc(OC)c(O)c3c2ccc2cc(O)ccc23)c2c(c1O)-c1ccc(O)cc1CC2 238749837 OICWLBYGEMOZNV-UHFFFAOYSA-N 480.516 6.265 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586961823 YBUQRQUSMMNUHC-LJAQVGFWSA-N 470.348 5.272 5 1 JKBF C[C@@]1(Cc2ccc(Br)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537873 BKIYXEZGSPIRLB-KNQAVFIVSA-N 470.275 5.026 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 587614642 UADOCGAEBZXKLJ-BVAGGSTKSA-N 471.490 6.155 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)N1 587843165 HFSSSXPZUVTWHI-QKFKETGDSA-N 487.394 6.412 5 1 JKBF CC(C)c1nn(C)c2c1[C@@]1(NCC2)c2ccccc2CC[C@H]1c1cc(Cl)c([N+](=O)[O-])cc1F 962916745 FBNRMCHODMVSAP-AVRWGWEMSA-N 468.960 5.364 5 1 JKBF CCOC(=O)CCCCCC[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963607789 KHZGKAGDIGCKFV-PPHZAIPVSA-N 484.593 5.294 5 1 JKBF COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4[N+](=O)[O-])cc3)c2cc1OC 13610097 YTJWRGUFMQLAPJ-UHFFFAOYSA-N 460.446 5.597 5 1 JKBF C[N+]1(CCc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCCC1 13808541 GMTMRQWDHOALNH-UHFFFAOYSA-O 451.634 6.495 5 1 JKBF CC(C)CN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 82134459 OHCBFXNQNSTNEO-IIPCHUTBSA-N 465.598 5.262 5 1 JKBF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1OC 587058487 WFXLJGCTDQKSBS-UHFFFAOYSA-N 487.299 5.714 5 1 JKBF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587154501 RAKMJUGDTCIOGX-UHFFFAOYSA-N 469.501 5.266 5 1 JKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)o1 587266374 ZUFYPEIAYXNUGO-UHFFFAOYSA-N 452.186 6.179 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(=O)O)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587744376 DUUSGMVBYDWBII-ZLOXQWCVSA-N 485.309 5.021 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1 587750934 KPTYJSGIAKPPTB-FATZIPQQSA-N 471.326 5.699 5 1 JKBF O=[N+]([O-])c1ccc([C@@]2(c3ccccc3Cl)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962703783 NRYMPDNFBPULDV-DFBJGRDBSA-N 468.981 6.043 5 1 JKBF O=C1CCC[C@]2(c3ccc(F)cc3C[C@@H]3CCCN32)[C@@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 963098461 GZMISUPMNMDFTJ-OWSXEPHWSA-N 490.453 5.221 5 1 JKBF CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 28351930 WMOPUADGYOHMKI-UHFFFAOYSA-N 471.601 5.282 5 1 JKBF O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)C=C(c1ccc(F)cc1)C[C@@H]2c1ccc(Cl)cc1 96929724 DWUDXOYKLGWOFY-JOCHJYFZSA-N 461.880 5.943 5 1 JKBF O[C@H](CCNC1CCCCC1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169337856 BEMGILGTLBYVBT-HSZRJFAPSA-N 469.469 7.376 5 1 JKBF Cc1ccc2c3c(c4c(nc13)[C@@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC4)-c1ccccc1C2=O 587097029 GSTGYUZOARBNQV-GOSISDBHSA-N 465.465 6.039 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 587751679 NNNQDKXVBFSCNO-QVQLBTGDSA-N 483.293 5.001 5 1 JKBF Cc1c([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 963105518 MRNOFHAWYFNPDZ-QDPGVEIFSA-N 455.533 6.155 5 1 JKBF COc1ccc([C@@H](c2ccc(OCCN(C)C)cc2)c2c3ccccc3cc3ccccc23)cc1 28709322 CIHDOBRPBFRYRH-HKBQPEDESA-N 461.605 7.122 5 1 JKBF O=C(O)c1cc2nc(-c3ccc(CO)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586895729 WBWRPZSCSYTJSN-UHFFFAOYSA-N 478.460 5.004 5 1 JKBF O=S(=O)(Nc1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(F)cc1 587169820 BAAJIQGCOLLEKT-UHFFFAOYSA-N 469.501 5.266 5 1 JKBF CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc([N+](=O)[O-])ccc21 587511511 HCILBLQHTLDWAQ-QHCPKHFHSA-N 462.502 5.918 5 1 JKBF O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCCCCCNc1ccnc2cc(Cl)ccc12 1857645409 GXJBIUXXHHYSMR-UHFFFAOYSA-N 452.898 5.065 5 1 JKBF CC[C@@H](C)CCCCCCCCCCC(=O)O[C@H](C)c1cccc2nc3c(C(=O)O)cccc3nc12 14451305 NYHKGAFIZKWATG-FGZHOGPDSA-N 492.660 8.033 5 1 JKBF biogenic c1ccc2c(CNCCCCNCc3c4ccccc4cc4ccccc34)c3ccccc3cc2c1 28256454 NRXXSDLOUOHVPD-UHFFFAOYSA-N 468.644 7.959 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82135371 PVUCWRHXASDPDI-SFTDATJTSA-N 487.604 5.505 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2Cl)N1 587696618 LOXAQQYQVSIIDK-VERVWZFWSA-N 490.760 5.558 5 1 JKBF COc1cccc([C@@]2(C)N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)c1 963018884 LQHHVJMOISDIPZ-QCENPCRXSA-N 489.575 5.106 5 1 JKBF CCOc1ccc2[nH]c3cc(NC(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc3c(=N)c2c1 1772615730 VAHGZHFLTNXOIZ-UHFFFAOYSA-N 493.407 6.489 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@@H]3c3cccs3)c2c1 1857640976 KPGFARWJYFGHAK-XMMPIXPASA-N 484.046 5.610 5 1 JKBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N([C@H]2CCCC[C@H]2C2CCCCC2)C1 58604219 WDHRTPQZLVZIPX-ZVAUBVARSA-N 496.695 6.939 5 1 JKBF O=C(c1ccc(Cl)cc1)[C@@H](CSCc1cccc([N+](=O)[O-])c1)n1cnc2ccccc21 473108536 NAPUANUBXYGWHO-JOCHJYFZSA-N 451.935 5.955 5 1 JKBF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587049569 BQOMEDHUOWSQIP-UHFFFAOYSA-N 456.936 7.800 5 1 JKBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1 587512104 KYOMDTDIXBJTHO-RUZDIDTESA-N 459.498 5.768 5 1 JKBF COc1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 587743433 AQOGXPCBTNLVMD-ZLOXQWCVSA-N 487.325 5.921 5 1 JKBF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O[C@@H](C)c1ccc([N+](=O)[O-])cc1 1772637036 RFMSBOFVSSRVTM-HNNXBMFYSA-N 467.474 5.000 5 1 JKBF CC(C)=CCCC(C)=CCn1c2cc3c(-c4ccccc4)c(=O)oc3cc2nc2c(C(=O)O)cccc21 2356410411 KRDKFSFTOURVBO-UHFFFAOYSA-N 492.575 7.354 5 1 JKBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149131 QUGJPAGTGNQYLW-RTBURBONSA-N 459.550 5.315 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)N2 587031698 PDGPDLYLOFWBQT-CVSYOPMASA-N 494.396 5.361 5 1 JKBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587264261 DYIZEASRZITCEZ-LBPRGKRZSA-N 460.475 5.829 5 1 JKBF O=[N+]([O-])c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2nc3ccccc3[nH]2)cc1 587627814 KABQFIIMONKRBJ-UHFFFAOYSA-N 490.363 7.324 5 1 JKBF O=C(O)c1ccccc1Sc1c(-c2ccc(OC(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587646118 KGPIRVAVHVTMCV-UHFFFAOYSA-N 456.426 6.194 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 587749484 YOOZARWYWZFCMY-JBEBIEQOSA-N 495.352 5.393 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc([C@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)cc2)c([N+](=O)[O-])c1 962703698 NNIQCOXPHWEAOO-CJAUYULYSA-N 495.532 5.887 5 1 JKBF CCOc1ccc([C@H]2[C@@H]3CNc4c(cccc4[N+](=O)[O-])C3=NN2c2ccccc2)c(OCC)c1 1772582536 SEMGGODFDIDCGU-RLWLMLJZSA-N 458.518 5.400 5 1 JKBF CN(CCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 2483411 RYDVGBNOUZTMLR-UHFFFAOYSA-N 470.957 5.457 5 1 JKBF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)nc2n1 587115658 VBGYIOJPNBAYOK-UHFFFAOYSA-N 454.409 5.076 5 1 JKBF CC(C)(C)OC(=O)N[C@]1(c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239139 IKLCFXHTXQMPTO-JICQUXPRSA-N 471.601 6.424 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(I)cccc4[nH]3)cc2)cc1 587272399 SANZEXLSCWYVJY-UHFFFAOYSA-N 457.227 5.535 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1c(C)c(C=O)c3ccccn13)O2 587372954 BZVMPMPPLQNIAV-SANMLTNESA-N 489.915 5.421 5 1 JKBF COc1cc2c3c(c1)O[C@](COc1ccc([N+](=O)[O-])cc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587416442 BCKRSHWAEWSLRX-GBXCKJPGSA-N 496.313 5.088 5 1 JKBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 587942139 VMHBORPCUNTVML-ZETCQYMHSA-N 476.571 6.879 5 1 JKBF C[C@H](c1ccc([N+](=O)[O-])c(Cl)c1)[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962918353 IHYVOSVJDDOVGX-FURSWLGUSA-N 482.920 5.364 5 1 JKBF O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c(-c3ccccc3)n2)cc1 1857607594 PLLCOHOWWKZQHF-UHFFFAOYSA-N 483.531 7.172 5 1 JKBF C[C@](O)(CSc1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 73294636 TVYJSIPYXVCPTR-KRWDZBQOSA-N 459.833 5.317 5 1 JKBF C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C 82147918 DCDLAGQJLOXJRD-VIRUWPMXSA-N 477.609 5.597 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 299865350 NLWYLXVXXLDZNL-NVIJWRNBSA-N 489.531 5.370 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587263679 NOSMFCPQNJDSMU-VIFPVBQESA-N 473.791 5.374 5 1 JKBF CCCOc1cc2nc([C@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2cc1Br 587263909 OZVMDPPHZXTUBW-LBPRGKRZSA-N 492.326 5.374 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Br)cc2[N+](=O)[O-])N1 587681362 SHAMHAKCMGHGOV-MGNBDDOMSA-N 472.152 5.251 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)N1 587844207 KWPDNIRUJCOMIC-LAJNKCICSA-N 477.355 6.005 5 1 JKBF Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCO3)cc1 13808550 ULOHXEAVCVAIGW-UHFFFAOYSA-O 497.659 6.222 5 1 JKBF CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)N=C(C)/C(=C(/O)OCC)[C@H]1/C=C/c1ccccc1 27523249 QPEKZONCKALHGN-PKNYFSTPSA-N 462.502 5.479 5 1 JKBF Cc1c([N+](=O)[O-])cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1[N+](=O)[O-] 587335377 LGZSXMNOVOQEBN-ZJSXRUAMSA-N 466.421 5.239 5 1 JKBF COc1cccc(-c2c(C)c(CSc3ccccc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587367085 YQLAFDRZSKFQJY-UHFFFAOYSA-N 456.523 7.166 5 1 JKBF Cc1ccc2oc3nc(C)c([C@]4(C)N[C@@H](C)Cc5cc(Br)c(F)cc54)cc3c(=O)c2c1 587777486 IEJSMHHEYDCZSP-CANCMXDXSA-N 481.365 5.657 5 1 JKBF O=[N+]([O-])c1cc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(F)cc1Br 962717920 WVESHIMILHCTCS-NSPYISDASA-N 455.324 5.089 5 1 JKBF COc1cccc(CSc2nc3cc4ccccc4cc3c(=O)n2CCc2ccccc2)c1 1857568139 FBCAPDIZSBVOMT-UHFFFAOYSA-N 452.579 6.093 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c(oc5ccccc54)c(NCCN(C)C)c3c2)cc1 1857639377 WRUFPGMDKQNRMY-CMDGGOBGSA-N 453.611 7.000 5 1 JKBF O[C@@H]1c2cc3ccc([nH]3)c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c(n2)[C@H]1O)C=C4)[nH]3 253633707 MFHYGFIVJZPMFC-ROJLCIKYSA-N 496.570 6.586 5 1 JKBF COCCOC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096432 BEIFHCIMLQYSRI-BUVRLJJBSA-N 494.503 5.393 5 1 JKBF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(F)c1 587145455 XEBKIJVATBGXRR-UHFFFAOYSA-N 470.254 5.713 5 1 JKBF C[C@]1(COc2ccc3c(c2)oc(=O)c2ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587361218 YEFRMLLKEFUCIQ-BHBYDHKZSA-N 496.490 5.988 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Br)c2[N+](=O)[O-])N1 587681431 XFMKEDOJHCSGAD-HUTHGQBESA-N 458.125 5.057 5 1 JKBF COc1ccc(Nc2ncnc3c2[C@@H](c2cccc([N+](=O)[O-])c2)c2c(c(=O)oc4ccccc24)O3)cc1 1772586020 CMRHSGURNXHEBS-NRFANRHFSA-N 494.463 5.529 5 1 JKBF O=[N+]([O-])c1ccc(-c2cc3c(=Nc4ccc5c(cnn5Cc5ccccc5)c4)nc[nH]c3s2)cc1 1857764045 KBBNHTTZEOQNJS-UHFFFAOYSA-N 478.537 5.830 5 1 JKBF COc1c(O)cc2oc3c(CC=C(C)O)c(O)cc(O)c3c(=O)c2c1CC=C(C)CCC=C(C)C 2356725351 MBDUWAXQRODDDA-UHFFFAOYSA-N 480.557 6.311 5 1 JKBF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCNc2ccc([N+](=O)[O-])c3nonc23)c1 29398319 UEXTVXPWIGUXFY-YADHBBJMSA-N 490.560 6.274 5 1 JKBF COc1cc2cc3c4cc(-c5ccc(C(C)(C)C)cc5)c(OC)c(OC)c4cc[n+]3c(C)c2cc1OC 95579011 OKHPRGXWFZSEOO-UHFFFAOYSA-N 496.627 7.039 5 1 JKBF COc1c(O)cc2oc3c([N+](=O)[O-])c(O)c(CCC(C)C)c(O)c3c(=O)c2c1CCC(C)C 169345100 SMRHAORJRTUQNQ-UHFFFAOYSA-N 459.495 5.157 5 1 JKBF O=C(Nc1ccc(Br)cc1)Nc1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 261139418 MUQBDTZJDMPZLS-UHFFFAOYSA-N 487.291 5.231 5 1 JKBF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@H]2CCCC[C@@H]21 586962247 WBQGDEGLPDMAKP-PLZPTFKGSA-N 483.597 5.354 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cncc(Br)c3[nH]2)ccc1Sc1nc2ccccc2s1 587035770 SMJABGHJQUMTMG-UHFFFAOYSA-N 484.360 6.057 5 1 JKBF COc1cccc(-c2cc(C[C@@H](O)c3cc([N+](=O)[O-])ccc3OC)nc3c2oc2ccccc23)c1 587363673 WIKOHTZOGWUELA-HSZRJFAPSA-N 470.481 5.850 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1)CC2=O 587470696 GQGKYGZEEYDXGM-JOCHJYFZSA-N 453.491 6.250 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2cc(F)ccc2[N+](=O)[O-])o1 587571392 NTCOLIUXWOVHHB-RCZVLFRGSA-N 477.400 5.314 5 1 JKBF COc1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2nc3ccccc3n2C)cc(OC)c1OC 587647412 HFOJBQFLZQUJLK-UHFFFAOYSA-N 458.474 5.323 5 1 JKBF C[C@@]1(c2cc([N+](=O)[O-])c(Sc3cccc(Cl)c3Cl)s2)NCCc2c(C(=O)O)cccc21 963118207 ATZILBNFRGTBBB-OAQYLSRUSA-N 495.409 6.222 5 1 JKBF O=C(NCCc1ccc(F)cc1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2482399 FDVVMWHYYQSGSQ-UHFFFAOYSA-N 483.858 5.821 5 1 JKBF Cc1nc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174796 QMZFJBHBGMMLQG-UHFFFAOYSA-N 469.423 5.955 5 1 JKBF O=[N+]([O-])c1ccc(C[n+]2cn([C@@H](c3ccccc3)c3cc4ccccc4o3)c3ccccc32)cc1 95590253 RHJBNEJFGOITHE-LJAQVGFWSA-N 460.513 6.269 5 1 JKBF Nc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2nc3c(Cl)ccc(Cl)c3nc12 96915906 CFLFHZGCUKCEPD-UHFFFAOYSA-N 478.183 6.167 5 1 JKBF CCCCNc1ncc(C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 105175134 WHSGHLCMXHRJAG-OQRYQMPQSA-N 451.571 5.064 5 1 JKBF CC(C)=CCOc1ccc2c(C)c(Cc3nc4c5ccccc5c5ccccc5c4[nH]3)c(=O)oc2c1C 586918144 KWCGPZPYVWQEEE-UHFFFAOYSA-N 488.587 7.528 5 1 JKBF Brc1ccc(-c2ccc(/C=C/c3nc4c5cccnc5c5ncccc5c4[nH]3)o2)cc1 586997823 DZQITUVAORMEHH-ZRDIBKRKSA-N 467.326 6.852 5 1 JKBF Oc1ccccc1-c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2cccc(Cl)c2n1 587082218 IZPCCLKWAMXNJR-UHFFFAOYSA-N 473.923 6.901 5 1 JKBF COc1ccc(C(=O)c2ccccc2-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1F 587144968 SYRXEKPDIMTIBC-UHFFFAOYSA-N 470.254 5.279 5 1 JKBF CCC[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199649 MMJJKOXYHPMNOC-DEOSSOPVSA-N 470.529 6.193 5 1 JKBF Cc1nc2cccc3c2c(c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)CC3 587211005 JNXWVMYAOMLSOA-FTJBHMTQSA-N 464.477 5.100 5 1 JKBF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(O)c1 587240975 SZJDHCIJWPCPRS-UHFFFAOYSA-N 457.533 6.732 5 1 JKBF COc1cc2c3c(c1)O[C@@](c1ccc([N+](=O)[O-])cc1)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587419425 DBDKRPVGHCLOGS-SBUREZEXSA-N 456.281 5.601 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)N1 587697888 URKHUYANASAAER-BIBXISHDSA-N 464.722 5.564 5 1 JKBF C[N+](C)(C)c1cc(O)cc(OCCCCOc2cc(O)cc([N+](C)(C)Cc3ccccc3)c2)c1 40918215 WDRKIOFSHQOXPQ-UHFFFAOYSA-P 466.622 5.300 5 1 JKBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82216887 NEWRXLZCRONKCQ-WMZOPIPTSA-N 463.538 5.216 5 1 JKBF O=C(Nc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)Nc1ccccc1[N+](=O)[O-] 96167961 LQPDUBFSUSWZJL-UHFFFAOYSA-N 488.525 5.707 5 1 JKBF Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546688 JZWLPXBVZPQZOV-OZXSUGGESA-N 488.883 5.441 5 1 JKBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1 587573312 BCGGRFOMHFPRHA-LEAFIULHSA-N 499.475 5.591 5 1 JKBF O=C(O)CCC[C@]1(c2cc3ccccc3c3ccccc23)NCCc2cccc(-c3ccccc3)c21 962668975 OSUPBZKVOPXYKN-MGBGTMOVSA-N 471.600 7.304 5 1 JKBF CC1=C(C(=O)OC2CCCC2)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(O)CC(C)(C)CC2=N1 103993454 GFVVCLHVRHSQPZ-QFIPXVFZSA-N 468.506 5.254 5 1 JKBF Clc1ccc(I)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587183568 YMAVMQONNGEZIQ-UHFFFAOYSA-N 454.698 6.794 5 1 JKBF O=NCc1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1 587189794 GAAFVKRCUMUARH-UHFFFAOYSA-N 491.459 5.778 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3c([N+](=O)[O-])cccc13)CC2=O 587471742 TVTFJZVODDKBHQ-OAQYLSRUSA-N 466.490 5.697 5 1 JKBF C[C@@]1(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587498642 PBWBETDPFLSNLI-IBGZPJMESA-N 471.724 5.235 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586544 KNLMQEUDAWCUNO-QDPGVEIFSA-N 465.461 5.232 5 1 JKBF O=C(c1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccc(Cl)cc2)c[nH]1)C(Cl)(Cl)Cl 587643246 BZLIQYGOYXPSDE-UHFFFAOYSA-N 483.138 6.945 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 587717292 FSBUPDNKJRMIQZ-HYORBCNSSA-N 462.088 5.022 5 1 JKBF O=C(OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O)c1ccc([N+](=O)[O-])cc1 66099513 OSCZXMXXVUIQJO-UHFFFAOYSA-N 483.307 5.810 5 1 JKBF Cc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82174909 YLAXYWOVIFGPRO-UHFFFAOYSA-N 493.592 6.805 5 1 JKBF O=C(CCN1CCCC1)n1c2ccccc2sc2ccc(Cl)cc2n1C(=O)CCN1CCCC1 139718711 DKPFRQLUAHHRGY-UHFFFAOYSA-N 499.080 5.688 5 1 JKBF C[C@]1(c2cccc(Br)c2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319722 CUDRNGLKNDKLMU-SIKLNZKXSA-N 472.266 5.476 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2)N1 587703381 YGUMHAJVSPPMLI-AMXDTQDGSA-N 491.744 6.566 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)N1 587726624 YKZAALMDMUCASR-SAHAZLINSA-N 493.279 6.191 5 1 JKBF Cc1cc(OCc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1[N+](=O)[O-] 587748203 SQGCAQGFGDWMBV-MCMMXHMISA-N 475.314 5.600 5 1 JKBF O=C([C@H]1Cc2ccccc2[C@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1)C(F)(F)F 962728223 CZIJPUVFXXCVMM-NQIIRXRSSA-N 464.509 5.755 5 1 JKBF C[N+](C)(C)c1cccc(C(=O)OCCCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)c1 27085004 HFEHIZXDIVWEDX-UHFFFAOYSA-N 452.575 5.944 5 1 JKBF CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc3sc(-c4cccc([N+](=O)[O-])c4)nn23)s1 28827010 SJJOSGWHLXBKSU-UHFFFAOYSA-N 462.516 5.115 5 1 JKBF O=C(O)c1cc2[nH]c(CCc3cccc(O)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586896566 UHHTUJMKLLEDCF-UHFFFAOYSA-N 492.487 5.336 5 1 JKBF O=C1c2ccccc2-c2c(CCc3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)nc3ccc(O)c1c23 586986547 CNNITZBVVQIOPM-UHFFFAOYSA-N 472.500 6.512 5 1 JKBF c1ccc(-c2csc(Nc3cccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)c3)n2)nc1 587020990 GUQHSHWFDNEMHF-UHFFFAOYSA-N 471.549 6.588 5 1 JKBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 587050971 SWWONGVHIYCCAK-CCEZHUSRSA-N 482.971 6.913 5 1 JKBF CCCOc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1Br 587108990 FHXNMKOUNWGSQB-UHFFFAOYSA-N 458.234 5.632 5 1 JKBF O=C(Nc1ccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 587243871 JTJJRGAZFGVYTJ-UHFFFAOYSA-N 490.519 6.423 5 1 JKBF C[C@@]1(c2cc(Br)cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322643 NRWAAGABTYYJJO-IRLDBZIGSA-N 472.266 5.476 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1ccc(F)cc1 587328409 UJCLOBHLRJDGAL-VPUSJEBWSA-N 489.886 6.396 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 587615320 XDSRZAHKOLKZOX-BVAGGSTKSA-N 477.538 6.428 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c([N+](=O)[O-])c2)N1 587680111 SIYICMMEGRWXDG-XYZCENFISA-N 458.125 5.057 5 1 JKBF Nc1c([C@@]2(c3ccc(Cl)cc3)c3c(F)cccc3C[C@@H]3CCCN32)oc2cc([N+](=O)[O-])ccc12 963104041 GPXXLSAIEZZLRR-HFJWLAOPSA-N 477.923 6.028 5 1 JKBF OCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 27637203 YEYXRUVVVYLWOZ-QUPMIFSKSA-N 475.379 6.074 5 1 JKBF COc1ccc2c(=O)c3ccc(OCCCCCCCN(C)Cc4ccccc4)cc3oc2c1 28641636 OTZUHGHWYCAPIJ-UHFFFAOYSA-N 459.586 6.416 5 1 JKBF Cc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1C 72178385 UXYRVBJYIWDPAT-VWLOTQADSA-N 489.000 7.344 5 1 JKBF CN(C)C(=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 587037645 LYDLSFBNRNMSRT-UHFFFAOYSA-N 475.555 5.601 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F 587117220 BBCIBUQGFCTTLU-UHFFFAOYSA-N 489.763 6.074 5 1 JKBF CC(C)CCOc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1Br 587266942 COFINHPBCGQJSI-UHFFFAOYSA-N 450.337 5.027 5 1 JKBF COc1ccc(-c2nc(N)nc3c2ccc2c4cc(Cl)ccc4[nH]c23)cc1Br 1772648267 AOQYMHQGSVVTAB-UHFFFAOYSA-N 453.727 5.938 5 1 JKBF Clc1cccc(COc2ccc(/C=C\c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c1 587071890 UKDQQLPMMZZHCH-RAXLEYEMSA-N 462.940 7.062 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(C(=O)c3c4ccccc4cc4cccc2c34)[C@@H]1c1ccc(F)cc1 587350384 HRVDICWMFFYKPM-OFSOJUDTSA-N 460.460 6.288 5 1 JKBF O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3cccc4ccc5cccc2c5c34)[C@@H]1c1ccc(F)cc1 587355094 SGJFOKQHNWXGFO-POURPWNDSA-N 460.460 6.288 5 1 JKBF CCCCNC[C@@H](O)COc1cc(OCCc2cccc(Cl)c2)c2c(=O)c3ccccc3oc2c1 1772608711 YDNOUNIRBXSIOK-OAQYLSRUSA-N 496.003 5.351 5 1 JKBF CC(=O)Oc1c(/C=C/c2ccc3c(Cl)cc(Cl)c(OC(C)=O)c3n2)cccc1[N+](=O)[O-] 1857610741 MSWZWULMUSJFSE-VOTSOKGWSA-N 461.257 5.471 5 1 JKBF COc1ccc2c(CN3CCN(c4ccc(Cl)cc4)CC3)cc3cc4c(cc3c2c1)OCO4 28706230 UUIDKOIKSCZIDH-UHFFFAOYSA-N 460.961 5.706 5 1 JKBF Cc1cc(C)cc(Cn2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc3ccc(Cl)cc32)c1 103261704 JUGYYCNFDNDBPW-UHFFFAOYSA-N 480.977 5.994 5 1 JKBF Cc1c2ccn(Cc3ccc(I)cc3)cc2c(C)c2c1nc1ccccc12 377437668 FXOCKHXNAJASED-UHFFFAOYSA-N 462.334 6.612 5 1 JKBF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587054391 KHMIGANVCKVYHX-QGZVFWFLSA-N 499.397 9.108 5 1 JKBF Cc1ccc2c3c(cc(COc4ccc5c(c4)oc(=O)c4ccccc45)nc13)-c1ccccc1C2=O 587101244 DRMYXMQVEIPIJE-UHFFFAOYSA-N 469.496 6.593 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587129612 YNSQNGCXXYZQNR-UHFFFAOYSA-N 451.252 5.962 5 1 JKBF CCOC(=O)c1c(-c2c(Cl)cccc2[N+](=O)[O-])[nH]c2c1c(Br)cc1n[nH]cc12 587622014 UHRIFOJULNIZCD-UHFFFAOYSA-N 463.675 5.212 5 1 JKBF Cc1ncc([N+](=O)[O-])n1CCOc1cccc(-c2cc(-c3ccccc3)c3ccccc3n2)c1 1857552826 HUTCNPYTBQRJPO-UHFFFAOYSA-N 450.498 6.061 5 1 JKBF Cc1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1 40602042 HESSADJFDCGVOK-UHFFFAOYSA-N 457.585 7.283 5 1 JKBF O=[N+]([O-])c1ccc(Sc2nc3ccccc3n2Cc2cc(-c3ccc(F)cc3)no2)c([N+](=O)[O-])c1 95589053 SYJHGIVCVOFCPY-UHFFFAOYSA-N 491.460 5.846 5 1 JKBF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 586981981 XQHQLBXNGRTLNR-UHFFFAOYSA-N 454.331 6.188 5 1 JKBF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587263934 IFRYXTMAGAHPGD-UHFFFAOYSA-N 485.378 5.241 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Br)cc2[N+](=O)[O-])N1 587675615 AMDLMNVBCSDABJ-MLCYQJTMSA-N 472.152 5.251 5 1 JKBF Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CC3)cc1 3940966 BSMLTNRLIDFWEA-UHFFFAOYSA-O 451.634 6.761 5 1 JKBF C[N+](C)(C)c1ccc(CC(=O)OCCCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1 26997110 GVZMLTUCSLQTRA-UHFFFAOYSA-N 466.602 5.873 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(N3CCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 82174419 GHBQJRFNCDOXDO-UHFFFAOYSA-N 498.395 6.749 5 1 JKBF COc1cc(C(=O)c2cn(-c3ccc([N+](=O)[O-])cc3)cc2-c2ccccc2)cc(OC)c1OC 1857572537 AAGBRZNMJSUVMZ-UHFFFAOYSA-N 458.470 5.309 5 1 JKBF O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncnc3cc4ccccc4cc23)CC1 13528788 WUMSDXSFFRGZLF-UHFFFAOYSA-N 475.552 5.929 5 1 JKBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135135 URQKZZKOIXZCOB-MSOLQXFVSA-N 493.995 5.968 5 1 JKBF O[C@@H](C[N+]12CCC(CC1)CC2)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 169335737 TUCGKOCVDLPHPG-ZZFIIBJBSA-N 454.421 6.386 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586972210 FCMSYVYKPWNAFG-UHFFFAOYSA-N 460.584 7.163 5 1 JKBF COc1cc([C@@H]2NCCc3cccc(-c4ccccc4)c32)cc([N+](=O)[O-])c1I 962660278 IBVSQZQKYCRILY-QFIPXVFZSA-N 486.309 5.110 5 1 JKBF O=[N+]([O-])c1cc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(F)cc1Br 962717925 WVESHIMILHCTCS-WLRWDXFRSA-N 455.324 5.089 5 1 JKBF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12 587139070 DSRXCQRVAUZBON-UHFFFAOYSA-N 478.789 6.202 5 1 JKBF O=C(COc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1)Nc1ccccc1F 587155410 YKOZYFHLOSMONQ-UHFFFAOYSA-N 463.472 5.483 5 1 JKBF C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208905 FOFXBOCYBVRFDZ-KRWDZBQOSA-N 469.496 6.846 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587263660 NIQZNLNHEHVBSN-HNNXBMFYSA-N 459.458 5.053 5 1 JKBF C[C@@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344634 XHKXOTCQEOHASX-XCZPVHLTSA-N 485.467 6.506 5 1 JKBF O=C1C[C@@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)Oc2c1ccc1c2CCCC1 587510442 AMUTVTFSVTYQIR-MHZLTWQESA-N 452.510 6.183 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 587855641 OBFUUESCVWVOLS-UHFFFAOYSA-N 491.209 6.080 5 1 JKBF Cn1cccc1CN1CCc2sccc2[C@]1(Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 962371618 GXJGGCSRMCTWCR-SANMLTNESA-N 478.017 6.193 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@@H](c1ccc(F)c(F)c1)CC(=O)N3 1857755956 WDYOOWKVGYNCLY-CQSZACIVSA-N 479.479 5.780 5 1 JKBF CC(C)CC/N=c1\cc2n(-c3ccccc3)c3ccc(Cl)cc3nc-2cc1Nc1ccccc1 27637197 IKPGQYOONJTRQC-QFMPWRQOSA-N 467.016 7.474 5 1 JKBF Cc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163568 DLRIWEQTGXWHQZ-UHFFFAOYSA-N 451.939 6.058 5 1 JKBF C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C 82224592 FFKGEOOGWKNPAH-DWPZYODISA-N 463.582 5.207 5 1 JKBF CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586980986 IEYRFNVEUUPLKA-UHFFFAOYSA-N 483.160 6.088 5 1 JKBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c4ccccc4c4ccccc4c3[nH]2)c1 587050173 VIMMBLUPLKPDKN-UHFFFAOYSA-N 484.987 6.833 5 1 JKBF Cc1cc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2cc1[N+](=O)[O-] 587112923 WKMHADYJGDYARX-UHFFFAOYSA-N 465.353 7.151 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1)CC2=O 587464347 OLEZHQOTULNNPZ-QFIPXVFZSA-N 478.467 5.738 5 1 JKBF CCOC(=O)CCCCCC[C@]1(c2cc3ccccc3c3ccccc23)NCCc2ccc(F)c(C)c21 962303857 XLLYOARVKWLIRL-MGBGTMOVSA-N 497.654 7.734 5 1 JKBF O=[N+]([O-])c1cccc([C@@]2(CCSc3ccc(Cl)cc3)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963105222 PLIXLYLPAWBZBN-NVQXNPDNSA-N 483.008 6.834 5 1 JKBF CC(C)c1cc2c(cc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2 138941141 GZIWMXLJTXZWEK-RPLLCQBOSA-N 480.561 6.876 5 1 JKBF O=[N+]([O-])c1ccc(-c2csc(N3N=C(c4ccc(Cl)s4)C[C@H]3c3ccc(F)cc3)n2)cc1 299868440 RIUBSPOSIOWPEU-IBGZPJMESA-N 484.965 6.928 5 1 JKBF COC(=O)c1cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c(F)c1Nc1ccccc1 587273182 QLWRVNBXKPFUTC-UHFFFAOYSA-N 498.470 6.600 5 1 JKBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587577643 TZOYEZPKURULIM-DHLKQENFSA-N 459.410 5.272 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 587737567 XYTQIYXJMLXWTQ-YTEVENLXSA-N 493.735 6.115 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 587843740 JBFDFWUKHSBFRP-PSLXWICFSA-N 487.394 6.412 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CCS[C@H]3c3ccc[nH]3)c2c1 1857750252 AHNQPQVFMAYYAL-VWLOTQADSA-N 481.021 5.266 5 1 JKBF CC(C)CN(C)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc([N+](=O)[O-])cc1 82147950 OWKXPZKKDVHZBU-UHFFFAOYSA-N 487.482 5.411 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(NC[C@@H]4CCCO4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 82163619 UOBGYSYTIBJIOG-FQEVSTJZSA-N 489.557 5.442 5 1 JKBF COc1ccccc1CNc1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163833 SLPMAWDRSRJZQN-UHFFFAOYSA-N 469.526 5.949 5 1 JKBF O=C(O[C@H]1C[N+]2(Cc3csc(-c4ccccc4)n3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1 103278237 DYTKNOCAWNCBEV-BRFPSQFKSA-N 489.705 6.689 5 1 JKBF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4ccc(-c5ccccc5[N+](=O)[O-])o4)nc3c2)cc1 587265821 UACZSQGENFNKJZ-UHFFFAOYSA-N 455.426 5.977 5 1 JKBF CCc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587342347 NDTOWPJAMSOKQI-XNMGPUDCSA-N 473.456 5.898 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccc3c(c1)oc(=O)c1ccccc13)CC2=O 587491780 PSEZUVSEILVOJV-DEXQXJORSA-N 458.510 5.796 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c2ccccc2c(Cl)c2ccccc12 587551664 IDSSEKNNPPXWRR-YWEHKCAJSA-N 452.893 7.055 5 1 JKBF COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587577074 QXCCYFXMYNLRDG-NAKRPHOHSA-N 483.476 5.409 5 1 JKBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587748060 SCSJSQILDOWOPG-FIKIJFGZSA-N 461.287 5.389 5 1 JKBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccc(F)cc1 4214497 HXUXCHWTBLNNFX-XZOQPEGZSA-N 475.948 5.760 5 1 JKBF CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2cccc([N+](=O)[O-])c2)n1 82134791 IVCCKXMUXUZMDL-AWEZNQCLSA-N 473.455 5.211 5 1 JKBF Cc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)sc1C 105190623 SCKYNRXBTNZQTC-SMIBBHEZSA-N 463.607 6.275 5 1 JKBF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 586879574 UBCPGFZOFSDYDI-UHFFFAOYSA-N 450.292 5.748 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(Br)c2[nH]1 587053356 DDIGFVXCRNNAMO-OAHLLOKOSA-N 451.708 5.014 5 1 JKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 587268983 GFQKLZIDHMDSLL-UHFFFAOYSA-N 466.133 5.263 5 1 JKBF Cc1ccc2oc3nc(C)c([C@]4(C)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)cc3c(=O)c2c1 587343531 CKPZBNZYPBNWLD-YZNIXAGQSA-N 495.506 6.077 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1c(C)c(C=O)c3ccccn13)O2 587372950 BZVMPMPPLQNIAV-AREMUKBSSA-N 489.915 5.421 5 1 JKBF C[N+](C)(C)CCO[P@](=O)(O)OCCCCCCCCCCC=C1CCCCCCCCC1 29134041 GYJAPBSUPLYAMD-UHFFFAOYSA-O 474.687 7.788 5 1 JKBF Cc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82174891 HQMOJIBXDYFXPQ-UHFFFAOYSA-N 491.551 6.645 5 1 JKBF C[C@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2cc3ccccc3c3ccccc23)nn1 84759241 DEMWZBXNOBYJNY-LJQANCHMSA-N 455.586 8.229 5 1 JKBF COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097963 MIOCVTPKYZJDFP-BKUYFWCQSA-N 450.450 5.376 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)N1 587856380 MIYRDOAUHYQRRL-WLRWDXFRSA-N 487.354 5.496 5 1 JKBF Cc1cc2c(cc1F)[C@](c1cccc([N+](=O)[O-])c1)(c1ncc(C(F)(F)F)cc1Cl)NCC2 962381393 YCPWIQUFQACGSH-OAQYLSRUSA-N 465.834 5.547 5 1 JKBF Cc1c(F)ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)CC2)c1Cl 1772634314 MMLDLXUWPKPKHD-UHFFFAOYSA-N 482.943 5.270 5 1 JKBF CCCOCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174050 ABJHPTZRGCSEQQ-UHFFFAOYSA-N 473.533 5.911 5 1 JKBF Cc1nc2c3ccccc3ccc2c2nc3c(ccc4ccccc43)c(-c3cccc4ccccc34)c12 103299571 CVWLFWSRSURPGI-UHFFFAOYSA-N 470.575 9.371 5 1 JKBF C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc6c(c5)OCCO6)cc4c32)ccc1C 209002377 SLKAFUZHONQYQY-UHFFFAOYSA-N 489.531 5.410 5 1 JKBF CCCCOc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br 587048497 WLOXUXKYXHTVCJ-FNORWQNLSA-N 450.720 6.236 5 1 JKBF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587141343 PUSZCDQKJMLIKD-HSZRJFAPSA-N 497.983 5.518 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587735518 QDNFNKAKQZTLQI-ZLOXQWCVSA-N 489.316 5.838 5 1 JKBF CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C2=C(O)CC(C)(C)CC2=N1 19202020 NWVCYBLISQPGQX-JOCHJYFZSA-N 454.523 5.621 5 1 JKBF CC(C)C/N=c1\cc2n(-c3ccccc3)c3ccc(Cl)cc3nc-2cc1Nc1ccccc1 27650923 JIVRLUDWEAEJGE-JJKYIXSRSA-N 452.989 7.084 5 1 JKBF Cc1cc(OCCCCC[N+](C)(C)Cc2ccc(Br)o2)c(C(C)C)cc1Cl 59718447 XSHBFYXFOVYAHL-UHFFFAOYSA-N 457.860 6.953 5 1 JKBF CC1CCN(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 82149591 PGCBURSALFSIQI-UHFFFAOYSA-N 465.941 5.189 5 1 JKBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1C(=O)N([C@@H](C)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] 299835704 LERDUFPXCZXXHF-TVTVKVKFSA-N 450.579 6.085 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C[C@@H]2CCCC[C@H]21 587027957 UWNOIIDVHLYDPI-XCRHUMRWSA-N 489.395 5.370 5 1 JKBF CC(C)CCOc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1Br 587268728 CGWFHUFGBKDUBP-UHFFFAOYSA-N 473.371 5.926 5 1 JKBF COc1cc2c3c(c1)O[C@](c1ccc([N+](=O)[O-])cc1)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587419423 DBDKRPVGHCLOGS-GAJHUEQPSA-N 456.281 5.601 5 1 JKBF CCCc1c(O)ccc2c1O[C@](C)(COc1ccc3c(oc(=O)c4ccccc43)c1C)CC2=O 587484827 IGLYUCWANKNHDV-NDEPHWFRSA-N 458.510 5.716 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1 587695100 MZWVKZZWHLCYRJ-FVINQWEUSA-N 465.706 6.033 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c3ccccc3cc3ccccc23)(C(F)(F)F)N1 587709344 LGPPETJISCLXJN-BSEYFRJRSA-N 488.322 7.235 5 1 JKBF c1ccc(COc2cccc(-c3ccc(Cc4nc5c6ccccc6c6ccccc6c5[nH]4)cc3)c2)cc1 587783455 BIZAJZIDJAEZML-UHFFFAOYSA-N 490.606 8.706 5 1 JKBF O=[N+]([O-])c1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2Cc2ccccc2)cc1 1857587942 BSLAXCWTCIUMGE-UHFFFAOYSA-N 492.473 5.010 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CCS[C@H]3c3ccco3)c2c1 1857645027 WVGKMCOIJKZHDH-VWLOTQADSA-N 482.005 5.531 5 1 JKBF CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 82193364 KMANGDRGQOCHHN-APWZRJJASA-N 464.657 5.585 5 1 JKBF O=[N+]([O-])c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 103947875 ZHAGHTONOJVTBA-LJQANCHMSA-N 478.505 5.736 5 1 JKBF O[C@H](C[C@@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2cc(Br)ccc12 169338899 GJNBOZXUYBQNPG-LHSJRXKWSA-N 453.207 6.628 5 1 JKBF COCCNc1ccc(-c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cc1[N+](=O)[O-] 587262638 ZCTWEBACEVNRAZ-UHFFFAOYSA-N 499.449 5.468 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c([N+](=O)[O-])c2)([C@H](C)CC(=O)O)N1 587691356 DWDHYJATGAKPOP-SUTOTMHJSA-N 485.737 5.038 5 1 JKBF O=C1C[C@H](C(=O)N2CCc3ccccc3[C@@H]2C[N+]2(CC3CC3)CCCC2)c2cc(Cl)ccc21 653812680 PLJNHMRNAYEVHD-UIOOFZCWSA-N 464.029 5.157 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@@H](c1ccccc1)C1=C(COC1=O)N3 1772575017 KIUXXANMANZXGK-RUZDIDTESA-N 483.520 5.396 5 1 JKBF O=[N+]([O-])c1ccc(-c2cc3c(=Nc4ccc(OCc5ccccn5)c(Cl)c4)nc[nH]c3s2)cc1 1857654409 YODNZTPDKRAFHF-UHFFFAOYSA-N 489.944 6.059 5 1 JKBF Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@@H]2CCCCN2)c1 29415053 IXZTVVBIBRTWRH-KRWDZBQOSA-N 455.942 5.697 5 1 JKBF Cc1oc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174181 IMZUHRKSDMEWFA-HXOBKFHXSA-N 469.545 6.673 5 1 JKBF Cc1c(O[C@@H](C)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc2c1oc(=O)c1ccccc12 586994569 WRLMJFQEYSTBGA-KRWDZBQOSA-N 499.522 6.860 5 1 JKBF COc1ccc(Cl)c(-c2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2F)c1 587143739 YEBZQKHTGPMQBL-UHFFFAOYSA-N 454.892 6.794 5 1 JKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)c1 587269922 JGRYWPZMQVODJX-UHFFFAOYSA-N 479.212 5.861 5 1 JKBF Cc1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 587749459 YEWGJRLEYOSZPY-LFVRLGFBSA-N 471.326 6.221 5 1 JKBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2cc(C(C)=O)c([N+](=O)[O-])[nH]2)(C(Cl)(Cl)Cl)N1 962958900 VBTRXINITLLIJQ-WLRWDXFRSA-N 469.756 5.145 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CCS[C@@H]3c3ccncc3)c2c1 1857752677 QOLHYJVJLJVEQB-AREMUKBSSA-N 493.032 5.333 5 1 JKBF Oc1ccc([C@H](c2ccc(OCCN3CCCCC3)cc2)c2cc3ccccc3c3ccccc23)cc1 28709368 YWQVENNSVHONQN-UUWRZZSWSA-N 487.643 7.744 5 1 JKBF Cc1cccc(C(=O)O[C@H](C)c2cccc3nc4c(C(=O)O)cccc4nc23)c1OCc1ccccc1 29414474 OXRHQJLPMGIUBZ-LJQANCHMSA-N 492.531 6.287 5 1 JKBF CC(C)CN(C)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 82134463 XOJFWVLNXVHZIU-UHFFFAOYSA-N 453.930 5.045 5 1 JKBF O=[N+]([O-])c1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 103947882 ZHAGHTONOJVTBA-IBGZPJMESA-N 478.505 5.736 5 1 JKBF CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1 195490804 DZQLBFSYEPOYJZ-KLNBIOTMSA-N 471.557 5.909 5 1 JKBF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@H]2CCCC[C@H]21 586960724 NXKQSESASIFEGN-YHYVQYDKSA-N 483.597 5.354 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc13)CC2=O 587469837 GXUJDMQQKPAFQU-AREMUKBSSA-N 456.498 5.962 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c1)CC2=O 587472702 LAENXXHUVFQPAN-HHHXNRCGSA-N 474.513 5.694 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 587576186 NFLMCZBXDFIEMI-LSYYVWMOSA-N 493.475 5.277 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 587749519 YZDKTVCRVGDVJV-WNSKOXEYSA-N 455.327 5.517 5 1 JKBF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 963643365 ZVSJAMOGAHZTRB-BSEYFRJRSA-N 493.610 5.997 5 1 JKBF O=C(OCc1ccc(Cl)cc1)[C@@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 26750940 BDQKQZBSECLBLP-MHZLTWQESA-N 481.935 6.645 5 1 JKBF COc1ccc2c(CN3CCC(NC(=O)OC(C)(C)C)CC3)cc3cc4c(cc3c2c1)OCO4 43078434 MLYHGHQMEPKRKH-UHFFFAOYSA-N 464.562 5.219 5 1 JKBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135130 URQKZZKOIXZCOB-ZWKOTPCHSA-N 493.995 5.968 5 1 JKBF CCCC[C@H](Nc1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1)C(=O)NCc1ccc(C)cc1 82195596 DXYTXMVKXSEHCV-IBGZPJMESA-N 468.579 5.322 5 1 JKBF Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c([N+](=O)[O-])cccc4[nH]3)cc2)c(C)c1C 586950641 IKLBNJIMWDJZOO-UHFFFAOYSA-N 464.547 5.481 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587422607 PFWSHLMPFOEOOA-MBSDFSHPSA-N 471.387 5.903 5 1 JKBF COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511682 IBVGAKPFSMCOKD-VWLOTQADSA-N 473.481 5.759 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccccc3F)c2c1 587620636 WCYXENHYAXHDIO-UHFFFAOYSA-N 455.467 5.000 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)N1 587841945 CQSPGWHZUPWSGZ-QKVFXAPYSA-N 477.355 6.005 5 1 JKBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1 587867860 CYLXLOHDTMPOET-UHFFFAOYSA-N 498.417 5.148 5 1 JKBF O=S(=O)(Nc1ccc(N=c2c3ccccc3[nH]c3ccc(Cl)cc23)cc1)c1ccccc1 653768391 YNCOXQOAERCIRH-UHFFFAOYSA-N 459.958 6.008 5 1 JKBF COc1ccc2cc(CCC(=O)C[C@H](Nc3cc(C)on3)c3cccc([N+](=O)[O-])c3)ccc2c1 73296146 ICNXNTIYFYSILO-VWLOTQADSA-N 459.502 5.798 5 1 JKBF C[N@+]1(CCCCCCCCCCCCCCCC[N@+]2(C)CCC[C@H]2CO)CCC[C@@H]1CO 253655913 MYAGCAOZYJKPQU-LPOKLPNDSA-N 454.784 5.650 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc(Br)ncc3[nH]2)ccc1Sc1nc2ccccc2s1 587034368 FFFRTLKYPNUVLN-UHFFFAOYSA-N 484.360 6.057 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)N1 587847244 SWQAKVGEANMYEJ-GTJPDFRWSA-N 477.355 6.005 5 1 JKBF CC(C)CNC(=O)c1cccc2nc(-c3ccc(COC(=O)c4ccccc4[N+](=O)[O-])cc3)oc12 653818600 IMQGCZMTMRDESZ-UHFFFAOYSA-N 473.485 5.146 5 1 JKBF CC(C)c1nn(C)c2c1[C@]1(NCC2)c2ccccc2CC[C@H]1c1cc(Cl)c([N+](=O)[O-])cc1F 962916746 FBNRMCHODMVSAP-BVZFJXPGSA-N 468.960 5.364 5 1 JKBF O=C(c1ccc(-c2ccc3c4cccc5cccc(c6cccc2c63)c54)s1)N(CCO)CCO 1911584947 ASBWBNWXEQAHTO-UHFFFAOYSA-N 465.574 5.893 5 1 JKBF CC(C=CC=C(C)C=C[C@]1(O)[C@H](C)CC(=O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C(=O)O 2356428277 FDJMTBRSNJXYKT-VIZCGCQYSA-N 464.646 6.837 5 1 JKBF CCN(C)[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 27331881 YUAWUNMKPARPJD-VZYCLNPTSA-N 494.595 5.086 5 1 JKBF COc1ccc([N+](=O)[O-])cc1CSc1nc2cc(NC(=O)C3CCC3)ccc2n1C(C)C 28524594 RFCGUUWYAJNLQL-UHFFFAOYSA-N 454.552 5.565 5 1 JKBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135564 PBKCZZUFBJFIND-CALCHBBNSA-N 479.968 5.435 5 1 JKBF C[S@@](=O)c1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 103275008 DCSOWEQVIFMEFU-HKBQPEDESA-N 492.741 5.070 5 1 JKBF CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(O)CC(C)(C)CC2=N1 104081267 HPXWKTVNCCNXRA-JOCHJYFZSA-N 480.952 6.035 5 1 JKBF CCOC(=O)c1cn(CC)c2ccc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3c2c1=O 169307952 SUNFWOYTYJBACY-UHFFFAOYSA-N 485.490 5.754 5 1 JKBF C[N@@+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@H](n1cc(Cn3c4ccccc4c4ccccc43)nn1)C2 584904951 DLTSAPZJTNDMKP-JRBLCTATSA-N 476.648 5.990 5 1 JKBF in-vitro CC[C@]1(C)C[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586885963 APLBAAFEELTBAV-XHCCPWGMSA-N 454.482 5.749 5 1 JKBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587050453 NVAQWTLLJLQXOE-KHPPLWFESA-N 484.947 5.703 5 1 JKBF O=C1c2ccccc2-c2cc(Cc3c([N+](=O)[O-])ccc(OCc4ccccc4)c3F)nc3cccc1c23 587104330 SEGJOBQMGBDWGT-UHFFFAOYSA-N 490.490 6.663 5 1 JKBF O=C1C[C@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587512227 MHTZLBRSCDGQOR-MHZLTWQESA-N 453.498 5.453 5 1 JKBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1[N+](=O)[O-] 587575276 IMPOZXFSUAPDON-LEAFIULHSA-N 499.475 5.591 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc([N+](=O)[O-])cc1 587575685 KFNVWSOSGSIVAQ-RPLLCQBOSA-N 469.449 5.582 5 1 JKBF Cc1ccc(OCc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)c([N+](=O)[O-])c1 587660122 CIFCSWVSDRJSIO-UHFFFAOYSA-N 499.454 5.280 5 1 JKBF CCN(CC)c1ccc(-c2nn(-c3nc4ccc([N+](=O)[O-])cc4s3)c(=O)c3ccccc23)c(O)c1 587669412 JYAYKYJFUQPZRC-UHFFFAOYSA-N 487.541 5.122 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)N1 587723538 AZJYKEWWHMRNKO-KPWVOAKYSA-N 493.279 6.191 5 1 JKBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(COc2ccc([N+](=O)[O-])cc2)c1 587868212 HXJBVQODNSAJJN-UHFFFAOYSA-N 498.417 5.148 5 1 JKBF O=[N+]([O-])c1cc2c(OCC[C@H]3CCCCN3)c(-c3ccccc3Cl)c(O)nc2cc1Cl 29413028 OEKBDGMSVUJRKC-CYBMUJFWSA-N 462.333 5.733 5 1 JKBF CCCCCOc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br 587265503 VEPLFVRKCRADMB-UHFFFAOYSA-N 463.288 5.302 5 1 JKBF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 587342632 OTCUTENSGRVXRE-AHKZPQOWSA-N 455.441 5.742 5 1 JKBF O=C1c2ccc(O)cc2OC2(c3cccc4ccc5ccc6cccc2c6c5c34)[C@H]1c1ccc(F)cc1 587356190 ZDALESRTQYOFSL-HKBQPEDESA-N 482.510 7.607 5 1 JKBF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)c1ccccn1 963243419 SHYNHRXVKJNXOX-ONOMSOESSA-N 496.636 6.485 5 1 JKBF CC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCc3cn(-c4ccc([N+](=O)[O-])cc4)nn3)cc12 1857617904 LRIBYEMZFPBWED-UHFFFAOYSA-N 481.512 5.269 5 1 JKBF O=S(=O)(c1ccccc1)c1cc2c(O)c3c(ccc4cccnc43)c(O)c2c2ncccc12 8382574 DJXQJVGPLRYJMF-UHFFFAOYSA-N 452.491 5.333 5 1 JKBF CCC1=C(C)c2cc3[nH]c(cc4nc5c(c6cc(C)c(cc1n2)[nH]6)[C@H](C)CCC5=C4C)c(C)c3CC 13458594 HLBWUHYVXLSRDN-MRXNPFEDSA-N 476.668 8.663 5 1 JKBF CO[C@]1(C)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N(C)C4 13827745 CHZJGXXDSBVRGD-NFTQTCPJSA-N 451.526 5.498 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1c(C)c(-c2ccc(C)cc2C)nc2c1ccc1ccccc12 169337637 ROBVCIRTGHGRHR-GDLZYMKVSA-N 468.685 7.916 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(C(F)(F)F)c2[nH]1 586948841 PFOZQDHHEGNOBM-UHFFFAOYSA-N 476.436 5.266 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586977939 RYHTZNKZAYQUBW-UHFFFAOYSA-N 461.497 5.229 5 1 JKBF Clc1ccccc1OCCn1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc2ccccc21 587064290 PBUMOYJEYPJVKZ-UHFFFAOYSA-N 489.966 7.013 5 1 JKBF CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3[nH]1)(c1cccc([N+](=O)[O-])c1)CC2=O 587473486 WAFAGJYGOKYTSC-AREMUKBSSA-N 457.486 5.233 5 1 JKBF O=C(O[C@H]1C[N+]2(CCCc3cccc(Cl)c3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857553695 FYYKZWOYOHYKPH-JUEZVXFGSA-N 491.051 5.361 5 1 JKBF CCCCN(CCCC)c1c([N+](=O)[O-])cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 1857583427 NEZNNLFPZCWULG-UHFFFAOYSA-N 459.459 5.070 5 1 JKBF O=[N+]([O-])c1cccc(-c2nc(NCCOc3ccccc3)ncc2-c2nc3ccccc3s2)c1 82163595 MFELGTFLNXSTOO-UHFFFAOYSA-N 469.526 5.819 5 1 JKBF C[C@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82163692 ISLKXQYWCSCTEP-HDICACEKSA-N 471.586 6.325 5 1 JKBF Cn1c2nc3ccccc3c-2c(NCCCNS(=O)(=O)c2ccc3ccccc3c2)c2ccccc21 103083875 QICARYRLBXEPCU-UHFFFAOYSA-N 494.620 5.765 5 1 JKBF O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)nn1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 103226810 ZCIGUJLGVSAMIQ-UHFFFAOYSA-N 497.458 5.702 5 1 JKBF CCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1Cn1cnc2cc([N+](=O)[O-])ccc21 473110486 WEGJPEXJVNTFOV-UHFFFAOYSA-N 467.485 5.022 5 1 JKBF O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc([N+](=O)[O-])c(Cl)cc6[nH]5)c34)c12 586882813 AYDKMRMQEOZEDB-UHFFFAOYSA-N 493.906 7.463 5 1 JKBF COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586963917 SDKAMLUOWQIQCK-FQEVSTJZSA-N 486.594 5.758 5 1 JKBF CCS(=O)(=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 587036831 AVWYBURABMIPCD-UHFFFAOYSA-N 496.595 5.693 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587069560 KCGLMRFXRNOIAB-SAPNQHFASA-N 482.765 7.060 5 1 JKBF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587121394 ASZISFFZIXWXBY-UHFFFAOYSA-N 465.369 5.377 5 1 JKBF CCCCCOc1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Br 587264484 GHWBYOJRRXQLND-UHFFFAOYSA-N 470.323 6.730 5 1 JKBF Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340729 WPRNFPZJNJPLER-BDYUSTAISA-N 470.456 5.324 5 1 JKBF C[C@@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374477 KMZNANBCFCTSPS-RSXGOPAZSA-N 475.497 6.442 5 1 JKBF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1COc1ccccc1[N+](=O)[O-] 587574709 GUHKFSXZTIPNIX-LBNVMWSVSA-N 499.475 5.591 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Oc3ccc(F)c(F)c3)c2c1 587620046 PTGOFOLKNPYZCC-UHFFFAOYSA-N 489.456 5.264 5 1 JKBF COC(=O)C(=O)c1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628447 SVHBUTXYLVLMRC-UHFFFAOYSA-N 460.286 5.136 5 1 JKBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F 587943514 GEBZYXNLEUEGPQ-OAHLLOKOSA-N 474.460 5.248 5 1 JKBF O=[N+]([O-])c1cccc2oc(SCc3ccc(CSc4nc5c([N+](=O)[O-])cccc5o4)cc3)nc12 45366358 PPUXLAVQTWQGFU-UHFFFAOYSA-N 494.510 6.370 5 1 JKBF Brc1cc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc2c1OCCO2 586999696 AKKQQWJBEVGDFO-MDZDMXLPSA-N 457.327 6.573 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 587342634 OTCUTENSGRVXRE-BDYUSTAISA-N 455.441 5.742 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCN(c3ccccc3)CC1)CC2=O 587472750 MFTHZUIKHLOQDJ-HHHXNRCGSA-N 487.556 5.286 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 587720525 SDAAUKHQIOVPHP-DMZKTXOQSA-N 459.290 5.462 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587733914 PEMFFAFLKZDUQU-VERVWZFWSA-N 475.289 6.051 5 1 JKBF O=[N+]([O-])c1cn(C[C@H](OCc2ccccc2F)c2ccc(Cl)cc2Cl)c(Br)n1 66079361 GTOCPNOEILELRY-INIZCTEOSA-N 489.128 5.958 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NCc3cccc(Cl)c3)ncc2-c2nc3ccccc3s2)cc1 82174367 DEHGOXKARHLGDX-UHFFFAOYSA-N 473.945 6.594 5 1 JKBF Clc1cccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc(-c3ccccc3)nc12 587082954 XJJSMAJTJQDSCF-UHFFFAOYSA-N 457.924 7.195 5 1 JKBF CC(C)(C)OC(=O)N[C@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239357 JOSFAPGRCVJGOR-NZBDPPQNSA-N 473.577 5.214 5 1 JKBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)[C@@H](C2)C3=O 587453291 RIIWYTFOIPRAJS-FDDCHVKYSA-N 453.903 5.897 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)C(C)(C)C)c2c1 587617403 FEGVHGLREVQKIY-UHFFFAOYSA-N 499.467 5.133 5 1 JKBF O=C(c1ccc(OC(F)F)cc1)c1c(-c2ccc(OC(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645746 CKQWBFVOVSIHRL-UHFFFAOYSA-N 474.366 6.177 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587733910 PEMFFAFLKZDUQU-AMXDTQDGSA-N 475.289 6.051 5 1 JKBF COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1[N+](=O)[O-] 587743338 AMLQAHCXEAPFEI-NPMABZOXSA-N 499.336 5.574 5 1 JKBF CC(C)(C)[C@@]1(COc2ccccc2[N+](=O)[O-])NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962953496 IYBWSWMIICRNBM-DEOSSOPVSA-N 478.511 5.585 5 1 JKBF O=C(O)c1cccc2c1CCN[C@]21c2ccccc2-c2ccc3sc4ccccc4c4ccc1c2c34 963143024 KSEWZKHCZZYFOF-JGCGQSQUSA-N 483.592 7.324 5 1 JKBF CC[C@@H](C)CCCCCCCCCCC(=O)O[C@@H](C)c1cccc2nc3c(C(=O)O)cccc3nc12 14451301 NYHKGAFIZKWATG-YADHBBJMSA-N 492.660 8.033 5 1 JKBF biogenic CC(C)(C)OC(=O)N1CCC[C@@H](N(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84690226 FVMRSQHKQOIEAA-GOSISDBHSA-N 466.003 5.711 5 1 JKBF CCCCCCN(Cc1c2ccccc2c(Cl)c2ccccc12)C(=O)[C@@H](N)CCCCN 103256876 HVWGMUBDUDMTAL-VWLOTQADSA-N 454.058 6.012 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc([N+](=O)[O-])c1 587135606 JSABXKMQUISXAI-UHFFFAOYSA-N 453.473 6.832 5 1 JKBF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587231200 NFGGPDOJZHJLGN-UHFFFAOYSA-N 474.524 5.549 5 1 JKBF O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)cc1 587578255 VOXQJYYBXUFTRN-ZEQKJWHPSA-N 483.432 5.369 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1SCc1ccccc1 587612929 LMWDVWLUFBNQDU-SHQCIBLASA-N 485.517 6.296 5 1 JKBF [O-][N+]1(CCC(c2ccccc2)c2ccccc2)CCC(O)(c2cccc(C(F)(F)F)c2)CC1 28384286 ZGZZPQUSXMOPHW-UHFFFAOYSA-N 455.520 6.224 5 1 JKBF O=C(c1ccccc1)N1CCC(N2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)CC1 49067956 NHCROJMGIVPGIA-UHFFFAOYSA-N 477.608 5.056 5 1 JKBF O=C(OCCC1CCCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081507 CXYXSEUKKNOIRI-LJQANCHMSA-N 471.579 5.084 5 1 JKBF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)c21 587030688 JDWFYAUWTAIURE-LLVKDONJSA-N 457.353 6.193 5 1 JKBF Cc1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124231 JYXIOFMRXDZIDY-UHFFFAOYSA-N 455.461 6.106 5 1 JKBF O=C(COc1ccccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)Nc1ccccc1F 587155288 WJLWOMXBMWBASL-UHFFFAOYSA-N 485.269 5.057 5 1 JKBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587747828 QIXHMQLLRUZRGH-FIKIJFGZSA-N 461.287 5.389 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)N1 587748334 UPYVEUVQPDLZKK-WHEQGISXSA-N 485.309 5.339 5 1 JKBF O=C1C[C@@H](C(=O)N2CCc3ccccc3[C@H]2C[N+]2(CC3CC3)CCCC2)c2cc(Cl)ccc21 653812667 PLJNHMRNAYEVHD-CLJLJLNGSA-N 464.029 5.157 5 1 JKBF O=C1C[C@@H](C(=O)N2CCc3ccccc3[C@@H]2C[N+]2(CC3CC3)CCCC2)c2cc(Cl)ccc21 653812672 PLJNHMRNAYEVHD-FTJBHMTQSA-N 464.029 5.157 5 1 JKBF NC(=O)c1ccc(-c2cc(-c3ccc(Br)cc3)nc(-c3ccc([N+](=O)[O-])cc3)c2)cc1 1857584759 JIRCSJYNTDEJDU-UHFFFAOYSA-N 474.314 5.852 5 1 JKBF COc1cc(C=Cc2cc(C=Cc3ccc(O)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O 2356874765 GKVKPJCQVGGHRF-UHFFFAOYSA-N 464.430 5.272 5 1 JKBF COc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccccc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1 35850846 FILLVXUWWGROFW-UHFFFAOYSA-N 492.582 7.998 5 1 JKBF COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 82174353 RTMVCACJYZTMEX-UHFFFAOYSA-N 489.557 5.681 5 1 JKBF O=[N+]([O-])c1ccc(-c2nn(-c3ccc(Br)cc3)cc2[C@@H]2CC(c3ccccc3)=NN2)cc1 299860970 KDOVKXDHKNBNMQ-QHCPKHFHSA-N 488.345 5.649 5 1 JKBF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2F)c1 587143579 JSMVBWZLNBUNRT-UHFFFAOYSA-N 464.456 5.839 5 1 JKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(S(=O)(=O)Nc4ccc(Cl)cc4)ccc3[nH]2)o1 587265098 MJADOFIWGCYFEF-UHFFFAOYSA-N 494.916 5.852 5 1 JKBF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587421900 OCCFCXHBGDPIRH-SBUREZEXSA-N 456.281 5.601 5 1 JKBF O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587529945 AFWYKODWKGQOHF-DEOSSOPVSA-N 479.985 7.126 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 587546393 QMOREUGLOFXDEC-ZJSXRUAMSA-N 463.829 5.917 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 587753308 UZMWNDPGWDNGCM-MQNRADLISA-N 494.364 6.123 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSc2nc3ccc([N+](=O)[O-])cc3s2)N1 587857625 LWXQNIRYAPHCDL-OVWNDWIMSA-N 482.400 5.648 5 1 JKBF COc1ccc(C23c4ccc(OC)cc4CC2(c2ccc([N+](=O)[O-])cc2)Cc2cc(OC)ccc23)cc1 5841822 RVYBFQCNZYDFKY-UHFFFAOYSA-N 493.559 6.005 5 1 JKBF CCOP(=O)(OCC)[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(O)ccc1[N+](=O)[O-] 71330051 YIXKEWUEPUUUMG-QGZVFWFLSA-N 459.779 5.239 5 1 JKBF Cc1ccc(-c2ccc([C@@H]3N(C)c4ccccc4C(=O)N3c3ccccc3)s2)cc1[N+](=O)[O-] 95581886 YNDQNQSZBSPLEE-RUZDIDTESA-N 455.539 6.427 5 1 JKBF CC1(C)CN=C(c2ccc(-c3cc(-c4ccc(C5=NCC(C)(C)CN5)cc4)cc([N+](=O)[O-])c3)cc2)NC1 96908770 SUQLJPVFGFQNEY-UHFFFAOYSA-N 495.627 5.681 5 1 JKBF O[C@@H](C[C@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(Br)ccc12 169338870 CNQDJSRIJDOHSD-IERDGZPVSA-N 452.314 6.340 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cnc(C(F)(F)C(F)(F)F)cc4[nH]3)cc2)cc1 587271353 AZIJGHRUQUEERD-UHFFFAOYSA-N 450.323 5.980 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 587573445 BUYBTWAQJMXQMF-SQHAQQRYSA-N 469.449 5.582 5 1 JKBF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587963050 LHEMPFZPDOXQHR-KBPBESRZSA-N 482.492 5.003 5 1 JKBF O=[N+]([O-])c1ccccc1OCc1ccc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)o1 962642618 UUUBXHQVXVDFQD-IADCTJSHSA-N 481.552 5.603 5 1 JKBF COc1ccc(N2C(=O)[C@H](Oc3ccc(C=O)cc3)[C@@H]2c2c3ccccc3cc3ccccc23)cc1 1857555267 SJALUUIWKIZDQC-XZWHSSHBSA-N 473.528 6.350 5 1 JKBF C[N+]1(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CCCC1 34689191 BIWNMAJWUHHCTH-UHFFFAOYSA-O 484.407 5.633 5 1 JKBF C[N+](C)(C)CCOC(=O)CCCC(=O)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 40424500 XUNORIQXTMZEFR-UHFFFAOYSA-N 489.803 5.764 5 1 JKBF Cc1ccc2nc(C[N+]34CCC(CC3)[C@@H](OC(=O)[C@](C)(c3ccccc3)N3CCCCC3)C4)oc2c1 68197056 BTNKJHBSKAVDTH-WMBYLGNXSA-N 488.652 5.190 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(NC[C@H]4CCCO4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 82163620 UOBGYSYTIBJIOG-HXUWFJFHSA-N 489.557 5.442 5 1 JKBF C[C@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547392 LHDVLFAIECZRJC-DENIHFKCSA-N 459.376 5.282 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 587573363 BIKXDSYBOBVBHX-UHSQPCAPSA-N 492.487 6.006 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@H]3c3ccccc3F)c2c1 1857640366 MZHGHFMEBFWJRC-SANMLTNESA-N 496.007 5.687 5 1 JKBF COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NC2CCCCC2)c([N+](=O)[O-])cc1OC 774543 GUZRDHZOICNNBT-UHFFFAOYSA-N 485.924 5.650 5 1 JKBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4215132 CYBUCROSQSLBQM-FOMAEQEMSA-N 485.512 5.354 5 1 JKBF O=C1c2c(c3c4ccccc4n(C[C@H]4CO4)c3c3[nH]c4ccccc4c23)C(=O)N1Cc1ccccc1 5616041 OFQDNQXFLVBEHM-SFHVURJKSA-N 471.516 5.624 5 1 JKBF CCCC1(n2c(=O)c3ccc4c(=O)n(C5(CCC)CCCCC5)c5ccc(c2=O)c3c45)CCCCC1 5850065 BVQOZWYZJKCBLA-UHFFFAOYSA-N 486.656 6.624 5 1 JKBF CC(=O)[C@@H]1O[C@]1(O)/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 13397678 YDOUJCMZGQTKDH-ZJXRRUNYSA-N 488.712 8.199 5 1 JKBF endogenous,in-man Cc1ccc(-c2nc3ccccc3c3c2c(-c2ccccc2)c(-c2ccccc2)n2c(=O)[nH]nc32)cc1 103185468 MADXCIPJUDKRHT-UHFFFAOYSA-N 478.555 7.033 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)nc1C(F)(F)F 587118884 QVEOZKGTTSQTPK-UHFFFAOYSA-N 456.211 5.709 5 1 JKBF O=[N+]([O-])c1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1Cl 587152896 GMAXLHQNTFDPQA-UHFFFAOYSA-N 480.912 5.804 5 1 JKBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587577649 TZOYEZPKURULIM-RDGATRHJSA-N 459.410 5.272 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COc2ccc([N+](=O)[O-])cc2Cl)(C(C)(C)C)N1 587698298 UVEJOSFTLAYXAE-QKVFXAPYSA-N 485.781 6.004 5 1 JKBF Cc1cnc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174794 SIHYTLUERFKKDY-UHFFFAOYSA-N 455.396 5.646 5 1 JKBF Cc1c(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)sc2ncnc(Nc3ccc(Cl)cc3)c12 95578827 RZLODONPMKLYHX-UHFFFAOYSA-N 464.894 6.022 5 1 JKBF FC(F)(F)c1cc(-c2ccc3c(ccc4ccccc43)c2)n(-c2ccc(-c3nnn[nH]3)cc2)n1 142037403 BPCQJVIRDFIXFJ-UHFFFAOYSA-N 456.431 6.045 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c4ccccc4c4ccccc4c3[nH]1)N2 587033331 YQVBAAWMDZTGEP-DKNZLLBESA-N 470.623 6.996 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc([N+](=O)[O-])c1 587135929 SADVNKVOCLQGPP-UHFFFAOYSA-N 453.477 6.084 5 1 JKBF CC(C)[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCc1ccccc1 587197783 OBKWJYCKQVQMGQ-SFHVURJKSA-N 461.316 5.199 5 1 JKBF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587627022 LUDBNKWEBVGRBP-GOTSBHOMSA-N 474.900 5.896 5 1 JKBF CCn1cc([N+](=O)[O-])cc1[C@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 587677968 BLUIAVOGDUZCAW-ABKXIKBNSA-N 499.595 5.466 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 587749489 YOOZARWYWZFCMY-SHACYNPGSA-N 495.352 5.393 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)N1 587752317 QZIOZIUAEKCEEC-DMZKTXOQSA-N 481.325 5.435 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3ccc4cccc5ccc2c3c45)N1 587814300 GUAMPDPKDHJJFO-RXAIFQJESA-N 458.374 7.283 5 1 JKBF O=[N+]([O-])c1cc([N+](=O)[O-])c(C=Cc2cccc3c2OCO3)cc1C=Cc1cccc2c1OCO2 2356867209 JWWKSWHNXWATAH-UHFFFAOYSA-N 460.398 5.301 5 1 JKBF O=C(C[C@@H]1c2ccccc2N=C(N2CCCCC2)N1c1ccccc1)NCc1ccc([N+](=O)[O-])cc1 3949878 CQNTZXAVQPAATO-AREMUKBSSA-N 483.572 5.336 5 1 JKBF COc1ccc(C2=Nn3c(C)nnc3S/C2=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 6018855 AVYHEOSFYGSIEJ-BKUYFWCQSA-N 459.487 5.163 5 1 JKBF Cc1c([C@@H](C)c2c(Cl)cccc2Cl)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O 28862822 COXWAYUMAGGCPQ-NSHDSACASA-N 450.347 5.737 5 1 JKBF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](Nc5ccc([N+](=O)[O-])c(C(F)(F)F)c5)CC[C@H]4[C@@H]3CC[C@@H]12 49020508 GDXIEHNAPRBDFJ-XUKKSVFASA-N 493.570 6.258 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(CCCO[C@H]1CCCCO1)CC3 95580195 XQKOXJCDWXSLFF-LJAQVGFWSA-N 495.616 5.319 5 1 JKBF O=[N+]([O-])c1cccc([C@@H]2ONC3=C2[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)c1 195440139 DIFMRIZVFMWUOY-QEJHQWKJSA-N 467.569 6.241 5 1 JKBF Brc1ccc(-c2nc(Cc3nc4cc5nc6ccccc6nc5cc4[nH]3)cs2)s1 587019945 UBBSSZJYIWUMLW-UHFFFAOYSA-N 478.400 6.198 5 1 JKBF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587121852 NQOTWNMQVOEQQN-UHFFFAOYSA-N 467.201 5.656 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587261856 DFXBLFADUADUIS-VIFPVBQESA-N 457.792 5.495 5 1 JKBF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccc(C)c([N+](=O)[O-])c4)c(Cl)c1)[C@@H](C2)C3=O 587424318 YVIGOCASDSNJQJ-SIBVEZHUSA-N 479.916 5.807 5 1 JKBF COc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 587577244 RFMGODWWJKSFHA-SHQCIBLASA-N 485.448 5.804 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587736511 SEIMOZMPBJVNRJ-DMZKTXOQSA-N 459.290 5.462 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)N1 587844209 KWPDNIRUJCOMIC-QKVFXAPYSA-N 477.355 6.005 5 1 JKBF CSc1cccc(N=c2[nH]c(-c3cccc(C(F)(F)F)c3)nc3ccc([N+](=O)[O-])cc23)c1 1857751065 PGYRWYRAZFLRRF-UHFFFAOYSA-N 456.449 6.111 5 1 JKBF COc1cccc(F)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 96269760 SVXYIHAHZMQVBU-UHFFFAOYSA-N 454.461 5.220 5 1 JKBF Cc1ccc2c(=O)c3cccc(CC(=O)Nc4ccc([N+](=O)[O-])c(C(F)(F)F)c4)c3oc2c1C 103299284 BBAVNZZOMBVKOJ-UHFFFAOYSA-N 470.403 5.671 5 1 JKBF COc1cc2cc(C(=O)C[C@@H]3CC[C@@H](O)C[N+](C)(Cc4ccccc4)CC3)sc2cc1OC 169349099 ZFPAYSSATREUMU-KLRKLJIASA-N 468.639 5.299 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)N1 587699449 XDCBDYZUFPAAPW-PRWKNARSSA-N 464.722 5.564 5 1 JKBF Cc1ccc2oc3nc(C)c([C@]4(C)N[C@H](C)Cc5cc(Br)c(F)cc54)cc3c(=O)c2c1 587777487 IEJSMHHEYDCZSP-SHZVTRLKSA-N 481.365 5.657 5 1 JKBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1 587869804 SDRCNEOUBYDMDX-UHFFFAOYSA-N 485.855 5.510 5 1 JKBF C[N+](C)(C)c1ccc(C(=O)OCCCCCn2ccc3cc(OCc4ccccc4)ccc32)cc1 27078526 CFDQFFKDAVHEES-UHFFFAOYSA-N 471.621 6.444 5 1 JKBF O=C(Oc1ccccc1-c1nc2ccccn2c1NC1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl 34806577 IESFNYYEKUCHET-UHFFFAOYSA-N 490.947 6.527 5 1 JKBF Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])cc(-c3ccccc3)c2o1 40862880 BGPYMDMNVGGKAW-VWLOTQADSA-N 459.889 5.679 5 1 JKBF COc1ccc2c(CN3CCC(CNC(=O)OC(C)(C)C)CC3)cc3cc4c(cc3c2c1)OCO4 43059740 YNRAXGVROQQWBA-UHFFFAOYSA-N 478.589 5.467 5 1 JKBF COc1cc2cc3c4cc(-c5cccc6ccccc56)c(OC)c(OC)c4cc[n+]3cc2cc1OC 95564806 OBGOVZHIDMXCTH-UHFFFAOYSA-N 476.552 6.586 5 1 JKBF Cc1ccc2c3c(cc(CSc4nc5ccc([N+](=O)[O-])cc5s4)nc13)-c1ccccc1C2=O 587102154 RNBPRWOJTCJPQF-UHFFFAOYSA-N 469.547 6.565 5 1 JKBF O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 587344206 WJSDTEQXDAUBNE-AHKZPQOWSA-N 453.425 5.723 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1 587572965 UGZBKFLFUDTDCW-ZEQKJWHPSA-N 489.480 6.294 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2ccc3c(c2)oc(=O)c2ccccc23)N1 587842127 PGYNIRRAQITYIK-DLUDVSRJSA-N 482.349 5.676 5 1 JKBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(Cn2nc(C)c([N+](=O)[O-])c2C)c1 587862749 HEQYJNCZKDEKHV-UHFFFAOYSA-N 499.449 5.036 5 1 JKBF COc1cc2c(cc1OC)[C@H](c1ccc(OCc3ccccc3[N+](=O)[O-])c(OC)c1)N(C)[C@H](C)C2 962627477 PMONUAXSWSSKSF-CRYYWNKWSA-N 478.545 5.165 5 1 JKBF Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccccc1[N+](=O)[O-])c1c(O)ccc2ccccc12 72118591 JVRZVDYYJYFCHD-AREMUKBSSA-N 451.482 5.421 5 1 JKBF O=[N+]([O-])c1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 103948616 WPWJLZRTJYYEKJ-IBGZPJMESA-N 460.515 5.597 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)ccc1Sc1nc2ccccc2s1 587037763 MYCPSCSLNCJGOJ-UHFFFAOYSA-N 473.461 6.313 5 1 JKBF Cc1ccc(-c2ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c(Cl)c2)cc1F 587145805 RFLLRTZVUNHWDZ-UHFFFAOYSA-N 460.690 6.669 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)N1 587816781 DFFNTXWHOMDEJR-BCOMRZATSA-N 484.412 7.600 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(ccc4ccccc43)oc2=O)N1 587839591 FWWZGJXOIDDGMD-RZFZLAGVSA-N 452.323 5.646 5 1 JKBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCCC2OCC(C)(C)CO2)(c2ccc([N+](=O)[O-])cc2)N1 962947573 BZGGANRBFGLZGV-WTYVLRPYSA-N 477.605 5.813 5 1 JKBF O=C(OCCC1CCCCC1)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081506 CXYXSEUKKNOIRI-IBGZPJMESA-N 471.579 5.084 5 1 JKBF COc1ccc(CCNc2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82134918 TWFUJDFFAILASB-UUOWRZLLSA-N 489.576 5.024 5 1 JKBF CC[C@@H](C)NC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc([N+](=O)[O-])cc1 82160145 PYHIPXZMNURBRT-CQSZACIVSA-N 473.455 5.211 5 1 JKBF Cc1nc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163841 RQWNGTIJPRTWPX-UHFFFAOYSA-N 469.423 5.955 5 1 JKBF O=C(O)c1cc(-c2nc(-c3ccc(OC(F)F)cc3)cs2)ccc1-c1ccccc1[N+](=O)[O-] 204982973 ZTYVADOPDATVKQ-UHFFFAOYSA-N 468.437 6.352 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)c(F)c2[nH]1 587054248 JERABGCTIRWOMG-HNNXBMFYSA-N 469.698 5.153 5 1 JKBF CCCCCOc1cc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2cc1Br 587261823 ISYCRBQZWILXSA-UHFFFAOYSA-N 462.344 5.733 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 587579081 YGJSVJPPWBRKCC-LITSAYRRSA-N 481.504 6.180 5 1 JKBF COc1cc2c(cc1OC)C[N@@+]1(Cc3ccccc3)CCCc3cc(OC)c(OC)cc3[C@H]1C2 1857556500 DZQXUDWCCIDAFO-RNAHPLFWSA-N 460.594 5.482 5 1 JKBF COc1ccc2[nH]c3ccccc3c(=Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)c2c1 1857629935 YHFXVRCFFDKTJE-UHFFFAOYSA-N 459.509 5.204 5 1 JKBF COc1cccc(/C=C/CN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)c1[N+](=O)[O-] 1996701 HLPYTHVNPSSCNQ-YRNVUSSQSA-N 464.565 6.698 5 1 JKBF CCN(CC)CCOc1ccc(Cn2c3ccc(O)cc3c3sc4cc(O)ccc4c32)cc1 28524829 IYPFZXICSMWJPY-UHFFFAOYSA-N 460.599 6.189 5 1 JKBF CC(C)CCCCCCCCCCCCCOC[C@@H](O)CO[P@@](=O)(O)OCC[N+](C)(C)C 38803196 ZPJWPZLMXOCFJZ-XMMPIXPASA-O 482.663 5.541 5 1 JKBF CC(C)=CCc1c(O)cc2oc3c(CC=C(C)C)c(O)c4c(c3c(=O)c2c1O)C[C@@H](O)C(C)(C)O4 43079927 FSQCKCTZUMXJGJ-HXUWFJFHSA-N 480.557 5.155 5 1 JKBF biogenic COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c(F)c2)c1 587147318 LTVFKTQVYHZJJJ-UHFFFAOYSA-N 462.480 7.049 5 1 JKBF C[C@@]1(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501984 BBLODFNDMKPHRU-MHZLTWQESA-N 461.489 6.072 5 1 JKBF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 653799426 UWLQSWIDBPHCCQ-RMKNXTFCSA-N 493.882 5.735 5 1 JKBF Cc1c(OC[C@]2(C)c3ccsc3CCN2Cc2cccnc2)ccc2c1oc(=O)c1ccccc12 962998686 PDFJWIDDVRKRGJ-GDLZYMKVSA-N 482.605 6.064 5 1 JKBF COc1ccc2c(c[n+]3c4c2cc(Cc2ccccc2[N+](=O)[O-])c2c5c(cc(c24)CC3)OCO5)c1OC 1857537372 UEHCUMUTQWNQLR-UHFFFAOYSA-N 495.511 5.235 5 1 JKBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148688 MJGVLKPDPNFAOC-MOPGFXCFSA-N 491.567 5.496 5 1 JKBF O=C(O)c1cc(-c2cccc(COc3ccc4c(=O)n(C5CCCC5)sc4c3)c2)cc([N+](=O)[O-])c1 95573419 PZLYFIUJOKQBFD-UHFFFAOYSA-N 490.537 6.031 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)ccc12 169338860 MQDSPFWFPUGMEW-DEOSSOPVSA-N 451.960 7.601 5 1 JKBF Cc1ccc(-c2nn3c(-c4nc5cc([N+](=O)[O-])ccc5[nH]4)c(-c4ccc(F)cc4)nc3s2)cc1 299861656 LUBXREGHJNSSKK-UHFFFAOYSA-N 470.489 6.024 5 1 JKBF Cc1onc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)c1COc1ccccc1Cl 587064083 MBHSWPGLMPJLHC-UHFFFAOYSA-N 463.675 5.429 5 1 JKBF CC(C)(C)OC(=O)N[C@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)c1cccc(Cl)c1 587072449 WXNQVTRGYMPSEU-HSZRJFAPSA-N 471.988 7.331 5 1 JKBF O=C(O)c1ccc(-c2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)ccc2F)cc1F 587138701 RAYQLGJRWGPZAG-UHFFFAOYSA-N 452.420 5.970 5 1 JKBF O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)Oc2c1ccc1c2CCCC1 587538640 QOXRUZDMLFTABW-QFIPXVFZSA-N 488.590 6.941 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3O)c(C)c2c1 587617443 FXDBSHATIKMXNX-UHFFFAOYSA-N 487.921 5.220 5 1 JKBF COc1cc([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)ccc1OCc1ccc(C)cc1[N+](=O)[O-] 963611337 QWTUZYNWVGMHJD-SOKVYYICSA-N 478.545 5.132 5 1 JKBF CC(C)=CCC[C@@]1(C)C=Cc2c(c(O)cc3oc4cc(O)c(CC=C(C)C)c(O)c4c(=O)c23)O1 13409903 QAHKVGNDCXMIJR-NDEPHWFRSA-N 462.542 6.482 5 1 JKBF biogenic,in-vitro COc1ccc2c(CNCCCCCCCCCCCO)cc3cc4c(cc3c2c1)OCO4 28706219 AVUOWLZGKHPVGT-UHFFFAOYSA-N 451.607 6.323 5 1 JKBF CCN(CC)c1ccc2nc3c4ccccc4/c(=N\c4ccc([N+](=O)[O-])cc4Cl)cc-3oc2c1 72126888 AWQCPVVEJRJMFG-NFFVHWSESA-N 472.932 6.726 5 1 JKBF C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 299806549 XOFUBFKYDOPJSX-VSCPYRSVSA-N 480.649 5.582 5 1 JKBF C[C@H]1CCO[C@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C1 586916904 IGZNNFKHULQNPA-RZFZLAGVSA-N 470.481 5.333 5 1 JKBF Cc1c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980214 RTLOWHCXSIWAHE-UHFFFAOYSA-N 479.050 5.990 5 1 JKBF CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 587057843 SCGYRLDXINQARB-WFASDCNBSA-N 494.335 5.302 5 1 JKBF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587109137 TYWLNMNCMAIBSJ-QGZVFWFLSA-N 497.502 5.204 5 1 JKBF Cc1cc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2cc1[N+](=O)[O-] 587111828 RWOMAYONOFKHQQ-UHFFFAOYSA-N 496.367 5.694 5 1 JKBF C[C@@]1(COc2ccc3c(c2)oc(=O)c2ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610595 PWCPJZDLSPJFMB-SVEHJYQDSA-N 480.472 5.451 5 1 JKBF C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)C(c1ccccc1)c1ccccc1 13812788 KISYYIILFHZTFF-UHFFFAOYSA-N 486.104 8.199 5 1 JKBF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 29401619 MLORPVDQFWDMDN-RPWUZVMVSA-N 493.560 6.646 5 1 JKBF COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587579425 ZSZSZNAOEOGBGK-NAKRPHOHSA-N 498.491 5.624 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)N1 587698288 UUPMVXFMAZMIBR-WHEQGISXSA-N 475.745 5.976 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(=O)O)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587744374 DUUSGMVBYDWBII-NPMABZOXSA-N 485.309 5.021 5 1 JKBF COc1cc2c(=Nc3ccccc3)c([N+](=O)[O-])c[nH]c2cc1OCCCN(C)Cc1ccccc1 1857542013 HUMCQUBRLLEIIW-UHFFFAOYSA-N 472.545 5.218 5 1 JKBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135436 YDLIYUIHTUODFF-NHCUHLMSSA-N 487.604 5.666 5 1 JKBF COc1ccc(CN(CCc2ccc(Br)cc2)Cc2ccc([N+](=O)[O-])cc2)cc1O 103279025 OOWVLQHTNRNNCI-UHFFFAOYSA-N 471.351 5.316 5 1 JKBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1C/C=C(/C)CCC=C(C)C)C=CC(C)(C)O4 218398302 XDMFZDJOFFBFDK-YVLHZVERSA-N 476.569 6.785 5 1 JKBF COc1cc2cc(C(=O)C[C@@H]3CC[C@H](O)C[N@+](C)(Cc4ccccc4)CC3)sc2cc1OC 253837966 ZFPAYSSATREUMU-IMXIINTDSA-N 468.639 5.299 5 1 JKBF COc1cc2cc(C(=O)[C@H]3CCC[N@@+](C)(CCOc4ccccc4)CC3)sc2cc1OC 261165400 RUKXDNCEYNEPKG-UZTOHYMASA-N 454.612 5.427 5 1 JKBF Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)c(C)c1C 586951189 QICOXPQQZMBHLQ-UHFFFAOYSA-N 464.547 5.481 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587071419 MHVFLUMRKKGTDE-UHFFFAOYSA-N 458.699 6.133 5 1 JKBF O=[N+]([O-])c1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1[N+](=O)[O-] 587071792 RMBSVZNPLSOQAK-TWGQIWQCSA-N 450.838 5.782 5 1 JKBF O=C1c2ccccc2-c2cc(-c3cc(C(=O)C(Cl)(Cl)Cl)[nH]c3[N+](=O)[O-])nc3cccc1c23 587101540 HQSTXBRTJIEZCV-UHFFFAOYSA-N 486.698 5.902 5 1 JKBF COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587338701 RDAICQCWJGSOIO-YTMVLYRLSA-N 499.494 5.945 5 1 JKBF Nc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587341265 YDPBWJVUEGJGMN-BDYUSTAISA-N 470.456 5.324 5 1 JKBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587748067 SCSJSQILDOWOPG-WSVYEEACSA-N 461.287 5.389 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c([nH]c5ccccc54)c(NCCN4CCCC4)c3c2)cc1 1857647880 JISBJTAPGIEUPQ-CMDGGOBGSA-N 478.665 7.269 5 1 JKBF C[N+](C)(C)CCO[P@](=O)(O)OCCCCCCCCCCCC12CC3CC(CC(C3)C1)C2 27870386 QEVZPSPRQLOQSB-UHFFFAOYSA-O 472.671 6.944 5 1 JKBF C[N+](C)(CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)Cc1ccccc1Cl 40602178 TYSUNQROAYXIHS-UHFFFAOYSA-N 478.003 7.628 5 1 JKBF O=NN1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 73221019 KRZMTGRVVKNXRA-HSZRJFAPSA-N 456.437 5.419 5 1 JKBF CCOC(=O)C1=C(C)N=C(c2ccc([N+](=O)[O-])cc2)/C(=C(/O)OCC)[C@H]1/C=C/c1ccccc1 169715019 OOXUYGQRUGHTMH-DFBCVBDGSA-N 462.502 5.370 5 1 JKBF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)ccc1Cl 586964161 XAINWXMAQXWXKV-UHFFFAOYSA-N 498.011 6.654 5 1 JKBF Cc1cc(N(C)Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c([N+](=O)[O-])cc1F 587136397 FKGXQMPRDODKIG-UHFFFAOYSA-N 477.212 5.216 5 1 JKBF COc1cc2c3c(c1)O[C@](c1ccc(Sc4ccccn4)c([N+](=O)[O-])c1)(c1ccccn1)[C@@H](C2)C3=O 587451649 KYPYNHAVUQFHMW-PPHZAIPVSA-N 497.532 5.236 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1c(OC(=O)c3cccc([N+](=O)[O-])c3)ccc3ccccc13)CC2=O 587468830 DVWVYHLXLAAOFN-AREMUKBSSA-N 497.503 6.332 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)N1 587752278 QJZDPSIDBDXXCV-XUSGNXJCSA-N 461.287 5.292 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 587752680 SXLGZYUMRZLLSQ-LFVRLGFBSA-N 471.326 5.699 5 1 JKBF Nc1sc(-c2ccc([N+](=O)[O-])cc2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 29132756 GHQQUTNPEPARRN-UHFFFAOYSA-N 468.456 6.822 5 1 JKBF CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 82135608 ZYLGAFCQJATJJD-SCMUXVNPSA-N 451.571 5.063 5 1 JKBF O=C(NCCCNc1nc2ccc(Br)cc2c2[nH]c3ccccc3c12)Nc1ccccc1 169348183 MIIMWYDGNNRTEG-UHFFFAOYSA-N 488.389 6.256 5 1 JKBF O=C(/C=C/c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1c2ccccc2cc2ccccc12 207503525 BGIIOPRQYNDLQF-SWWWGQHMSA-N 487.002 8.038 5 1 JKBF CCOCc1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)o1 586903399 PNCVSIOBBLLYSC-UHFFFAOYSA-N 496.475 5.641 5 1 JKBF Brc1ccc([C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)N2CCCC2)cc1 586984026 BQTDCFIORPNSSY-HSZRJFAPSA-N 458.363 5.607 5 1 JKBF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587330510 BUDPVKXCGMKHJR-RCZVLFRGSA-N 451.450 5.285 5 1 JKBF Cc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 587575291 ISWAQZACCIVJJD-IGKIAQTJSA-N 469.449 6.104 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587783686 FECWXGNBJBAFII-FLIBITNWSA-N 450.292 5.983 5 1 JKBF Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 1772622713 TYGJAYYSLQGFTI-UHFFFAOYSA-N 480.329 5.263 5 1 JKBF CC(C)(C)C(=O)Nc1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2ccccc2[N+](=O)[O-])cc1 1911581316 RWRJLDJQYFSYAX-OBGWFSINSA-N 471.557 5.822 5 1 JKBF O=C1/C(=C\c2cccc(Oc3ccccc3)c2)S[C@H](c2ccccc2)N1c1cccc([N+](=O)[O-])c1 5925209 HASDQCQFFUQSSC-RYOBIWAXSA-N 480.545 7.207 5 1 JKBF CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(ccc3ccccc32)c1 26579882 VTXOHAWXOIOHKT-UHFFFAOYSA-N 473.498 6.495 5 1 JKBF Cc1nc2c(-c3ccc(Br)cc3)nc3ccccc3c2c(=O)n1-c1ccccc1Cl 28646058 OVEBUVPZWUEYAT-UHFFFAOYSA-N 476.761 6.325 5 1 JKBF COc1ccccc1CNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174791 PHGRLOHMOPAPCR-UHFFFAOYSA-N 495.564 6.463 5 1 JKBF CCC[P@](=O)(Oc1cc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)ccc1C)OC(C)C 169342845 SWAJCYBPFLTGBY-MGBGTMOVSA-N 470.466 6.511 5 1 JKBF N[N+](=O)CCc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1 169702683 ZTVMEIWHVXTVAD-UHFFFAOYSA-N 461.467 6.060 5 1 JKBF C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)/C=C/c5cccc([N+](=O)[O-])c5)CCC[C@@]4(C)[C@@H]3CC1)C2 474610057 ZOQKPDCLCNNGHJ-DBAXDJFFSA-N 463.618 7.120 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)cc2[nH]1 587057523 YDTXAUKREDEFBL-INIZCTEOSA-N 451.708 5.014 5 1 JKBF Nc1c(F)cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1F 587135170 USWJCAYADAREIR-UHFFFAOYSA-N 499.429 5.372 5 1 JKBF O=C1C[C@@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)Oc2c1ccc1c2CCCC1 587503522 VAULSNMMRKOJSD-QHCPKHFHSA-N 453.878 6.006 5 1 JKBF O=C(Nc1ccc(N=c2c3ccccc3[nH]c3cc([N+](=O)[O-])ccc23)cc1)Nc1cccc(Cl)c1 653771378 HRKRASUOZSDDQD-UHFFFAOYSA-N 483.915 6.759 5 1 JKBF Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)OCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 1857633540 AGFUEXXWTRANDT-UHFFFAOYSA-N 479.496 5.115 5 1 JKBF CC1=C(C=CC=CC=CC=CC=CC=CC=CC=CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 2356347240 LTAFGCWFKPSPGC-LOYHVIPDSA-N 486.740 8.431 5 1 JKBF COc1ccccc1-c1ccccc1Cn1cnc2c(SCc3ccc([N+](=O)[O-])cc3)ncnc21 13584463 JRJYSQRFSNQHIP-UHFFFAOYSA-N 483.553 5.751 5 1 JKBF CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccc([N+](=O)[O-])cc2)c1 13827760 UAXZAILNQYAHRF-UHFFFAOYSA-N 465.554 5.548 5 1 JKBF O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@](O)(CSc1ccc(Cl)cc1)C(F)(F)F 28020847 HOVZDDHAEPYKDJ-HNNXBMFYSA-N 488.793 5.291 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1 587136015 VCLJGOIZKMEHFC-UHFFFAOYSA-N 494.242 7.034 5 1 JKBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1F 587140247 VPOHMSDFUYUBHI-UHFFFAOYSA-N 476.689 6.272 5 1 JKBF C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612550 WCHUJGCJTZAKCC-FSWFGOTFSA-N 494.499 5.840 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)N1 587743297 AJFCCIYYSWXUNY-GTJPDFRWSA-N 461.287 5.292 5 1 JKBF COc1cccc([C@]2(C)N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)c1 963018879 LQHHVJMOISDIPZ-IZEXYCQBSA-N 489.575 5.106 5 1 JKBF CCC1=C(C)c2cc3[nH]c(cc4nc5c(c6[nH]c(cc1n2)c(C)c6CC)CCCC5=C4C)c(C)c3C 13458598 FYXKGKLUNZMYLW-UHFFFAOYSA-N 476.668 8.410 5 1 JKBF CCCCC1(CCCC)CS(=O)(=O)c2ccc([N+](C)(C)C)cc2[C@@H](c2ccccc2)[C@H]1O 13672988 ZLDVFZOLWBIAEK-CLJLJLNGSA-N 458.688 5.530 5 1 JKBF CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCC3(CC2)OCCO3)cc1[N+](=O)[O-] 13863815 VEUANACROFZFPI-CSKARUKUSA-N 468.575 5.248 5 1 JKBF Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\C(C)C)cn1 95580353 NVRSDYJBTFVWCQ-BGABXYSRSA-N 453.977 6.540 5 1 JKBF Brc1ccc(-n2cc(CN3CCN(c4nc5ccccc5c5ccccc45)CC3)nn2)cc1 103247835 UDJLOTYIYXGXQH-UHFFFAOYSA-N 499.416 5.053 5 1 JKBF COc1cc2cc(C(=O)[C@H]3CC[N+](C)(Cc4ccccc4)CC[C@@H]3OC)sc2cc1OC 169347900 RANOFWRVYDDHPM-XSVUGYHLSA-N 454.612 5.173 5 1 JKBF COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 586962196 BVBVQRNRICOYNZ-IBGZPJMESA-N 487.582 5.153 5 1 JKBF C[C@]1(Cc2ccc(Br)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323912 UQFUVOMXPMGSKY-JTHBVZDNSA-N 486.293 5.562 5 1 JKBF Cc1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 587747487 OFCCBFRSDNGBHG-PSLXWICFSA-N 471.326 6.221 5 1 JKBF O=[N+]([O-])c1cc(Cl)ccc1-c1ccc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)o1 962717750 QQSSKWTZLARJAA-WNSKOXEYSA-N 458.942 6.100 5 1 JKBF Cc1ccc(Sc2cc([N+](=O)[O-])cc(Sc3ccc(C)cc3)c2Sc2ccc(C)cc2)cc1 1629463 AISGTDDXODBKQW-UHFFFAOYSA-N 489.687 8.974 5 1 JKBF Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 72118341 HPVIFQGLJKBEBZ-VWLOTQADSA-N 469.472 5.560 5 1 JKBF COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587338697 RDAICQCWJGSOIO-XRKRLSELSA-N 499.494 5.945 5 1 JKBF O=C(O)c1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)c1 587576266 NTRHNGVROKJINI-ZEQKJWHPSA-N 483.432 5.369 5 1 JKBF Cc1ncc([N+](=O)[O-])n1CCOc1cccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)c1 1857606435 OXDZKKBFWFUGLA-UHFFFAOYSA-N 495.495 5.969 5 1 JKBF O=C(NCc1ccccc1F)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2481845 AESDNJZQVMQARP-UHFFFAOYSA-N 495.850 5.368 5 1 JKBF Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCCC4)cc3)c21 28524321 LKZIQCSSMREXPX-UHFFFAOYSA-N 458.583 5.943 5 1 JKBF COc1ccc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@H]2CCCCN2)cc1C 29416970 CKBXYKNVOLYXGU-MRXNPFEDSA-N 471.941 5.397 5 1 JKBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135321 ZVGWHKFXHKHZPG-YRPNKDGESA-N 465.598 5.185 5 1 JKBF COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4ccccc4OC(F)(F)F)c3oc2c1OC 96933384 CIKVEJCGDRZCFY-UHFFFAOYSA-N 476.403 5.546 5 1 JKBF CCCCC[C@@H](O)CCCCCCCCCCCOC[C@@H](COCCCCC[N+](C)(C)C)OC 100724659 QCYYCPIMXDTFLM-WDYNHAJCSA-N 488.818 6.753 5 1 JKBF CC(=O)N1N=C(c2ccc(Nc3cc(=O)oc4ccccc34)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 103177309 NALNUSZYGBSUNL-DEOSSOPVSA-N 468.469 5.142 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 299865349 NLWYLXVXXLDZNL-MHTMXISKSA-N 489.531 5.370 5 1 JKBF CC(=O)c1ccc(-c2cc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)ccc2F)cc1 587139544 OGFXGIMFPVSCPR-UHFFFAOYSA-N 454.255 5.909 5 1 JKBF C[C@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555759 LZVFAADODGFJJF-DENIHFKCSA-N 475.375 5.162 5 1 JKBF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587627023 LUDBNKWEBVGRBP-PKTZIBPZSA-N 474.900 5.896 5 1 JKBF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(F)(F)F 587712901 RHJVGAPBWLCTCQ-NIVTXAMTSA-N 493.251 5.070 5 1 JKBF Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 1772617340 KJLJKTJEMGFXNY-IWIPYMOSSA-N 496.548 5.992 5 1 JKBF O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccc(Cl)c([N+](=O)[O-])c1 13761296 KAYDKEOATDFKIT-DUXPYHPUSA-N 454.653 5.386 5 1 JKBF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587019001 SPWQCFJOSGNZFU-UHFFFAOYSA-N 451.310 6.366 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)c(Br)cnc2[nH]1 587055404 QDSOYGHCDNFENQ-ZDUSSCGKSA-N 487.141 5.063 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(OCc3ccccc3)c2[nH]1 587263230 KUYCQNDJRCYKPN-INIZCTEOSA-N 461.474 5.401 5 1 JKBF CCCCCOc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br 587267014 RVOSEVAXXNOCGN-LBPRGKRZSA-N 492.330 5.884 5 1 JKBF COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c([N+](=O)[O-])c1 587574360 FTPYXUWIIYESFT-RCZVLFRGSA-N 459.410 5.272 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)N1 587745588 HYONOMPJQCEOAI-DMZKTXOQSA-N 486.297 5.231 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)Nc2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 587746331 JNPPOODCAXFUGL-IZHWHUGBSA-N 498.352 5.303 5 1 JKBF CCCNc1cc(OCC)c(Br)cc1-n1c(OCC)cc([C@H](C)[N+](=O)[O-])c1OCC 587937877 WFNVVNGQZSTJPI-AWEZNQCLSA-N 484.391 5.596 5 1 JKBF CCOC(=O)CCCCCC[C@@]1(c2cc3ccccc3c3ccccc23)NCCc2ccc(F)c(C)c21 962303859 XLLYOARVKWLIRL-XIFFEERXSA-N 497.654 7.734 5 1 JKBF C[C@@H](CSc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857539572 DRIROLZPSQLHTQ-JTQLQIEISA-N 452.376 5.999 5 1 JKBF COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 2483477 KZHMKBUIHWXJOC-UHFFFAOYSA-N 495.576 5.792 5 1 JKBF Cc1ccc(-c2nn3c(-c4nc5cc([N+](=O)[O-])ccc5[nH]4)c(-c4ccc(Cl)cc4)nc3s2)cc1 299860587 JJGUZKSQSMORSG-UHFFFAOYSA-N 486.944 6.538 5 1 JKBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587116538 GOJDRBPTIOEBIC-UHFFFAOYSA-N 490.280 5.231 5 1 JKBF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587121857 NUCAMIVPLUMKSY-UHFFFAOYSA-N 477.471 6.657 5 1 JKBF Cc1c(O[C@H](C)c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc2c1oc(=O)c1ccccc12 587208565 BWFQILLDIMBBOK-GOSISDBHSA-N 483.523 7.154 5 1 JKBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1ccc([N+](=O)[O-])cc1 587576955 QGQVDIADXATPIT-SQHAQQRYSA-N 485.448 5.804 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2F)N1 587725211 CFYWOTVXJNJYQE-YTEVENLXSA-N 474.305 5.044 5 1 JKBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1N 4080528 IGZVWFOAFIPLSE-FCHUYYIVSA-N 458.946 5.161 5 1 JKBF C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1cccs1)N1CCCCC1 73160564 ZDMIIYGPOIOKNJ-NNRFIJQCSA-N 467.699 5.234 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc([N+](=O)[O-])cc1 82148583 CUWNMHUSPRTQLT-UHFFFAOYSA-N 485.544 5.536 5 1 JKBF CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1 82193583 MZQUCJLPOVEIQD-LPHOPBHVSA-N 460.600 5.028 5 1 JKBF Cc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 587575292 ISWAQZACCIVJJD-RPLLCQBOSA-N 469.449 6.104 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccccc2[N+](=O)[O-])o1 587577983 VGBDJFOKVCIDQY-DHLKQENFSA-N 459.410 5.175 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)N1 587748152 VDFZCSUIFYZWRI-WHEQGISXSA-N 487.325 5.405 5 1 JKBF CC(C)=CCC/C(C)=C/CC/C(=C/Cc1cc(O)cc2c1oc(=O)c1c(O)ccc(O)c12)CO 1772645431 CYWSISJGDKJRDP-LYCWIXAWSA-N 464.558 5.997 5 1 JKBF CC(=O)C[C@H](O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C 2356649618 RXWWNRBIVOMKOK-YTTGMZPUSA-N 474.729 8.863 5 1 JKBF COc1cc(O)cc2ccc3c(-c4c(O)cc(OC)c5c4ccc4cccc(O)c45)cc(O)cc3c12 2356788225 WRHABBGJEUPEMA-UHFFFAOYSA-N 478.500 6.806 5 1 JKBF COc1cc2c(cc1OC)C(=O)[C@H]([C@H](O)C1CC[N+](Cc3ccccc3)(Cc3ccccc3)CC1)C2 40688911 NDNZNGGMIRADBM-BHBYDHKZSA-N 486.632 5.047 5 1 JKBF Cc1oc(-c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163464 UHKZSQIMWSMZOT-UHFFFAOYSA-N 455.518 6.427 5 1 JKBF Cc1cc(Br)ccc1-n1cccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 586981313 OWFZQBVHVPMSHO-UHFFFAOYSA-N 452.355 7.398 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c3cccnc3c3ncccc3c2[nH]1 587057995 ZDWRWSVARQFMKM-GOSISDBHSA-N 474.908 5.348 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c3ccccc3c3ccccc3c2[nH]1 587262739 HTEWFIHNGYQAAP-HNNXBMFYSA-N 455.470 6.129 5 1 JKBF CCCCOc1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Br 587264124 BUFFQDFKMFREKW-UHFFFAOYSA-N 456.296 6.340 5 1 JKBF O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)[C@@H]1c1ccc(F)cc1 587339803 FPMRGUSPVARUOE-VPUSJEBWSA-N 472.472 5.975 5 1 JKBF COc1cccc(-c2cc(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 587364003 YIDUSPRVBDACSX-UHFFFAOYSA-N 479.536 7.222 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 587574229 DTBMRQGYSIWJQQ-OZXSUGGESA-N 484.420 5.114 5 1 JKBF O=[N+]([O-])c1ccc2c(CCN3CCC(O)(c4ccc(Cl)cc4)CC3)c(-c3ccc(F)cc3)[nH]c2c1 587646291 ZHZGKCMGZHYUDH-UHFFFAOYSA-N 493.966 6.062 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 587718594 IUJPZIOIJHNXFJ-HYORBCNSSA-N 462.088 5.022 5 1 JKBF Cc1ccc(C(=O)Nc2cccc([C@]3(C)NCCc4cccc(-c5ccccc5)c43)c2)cc1[N+](=O)[O-] 962661285 CDZJRMUHEGVJER-PMERELPUSA-N 477.564 6.232 5 1 JKBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(Oc2ccc(C(=O)O)cc2)ccc1[N+](=O)[O-] 3819469 GXGODOFIHUMDRB-NIJIEXERSA-N 470.522 5.501 5 1 JKBF Cc1nc2c(-c3ccc(Cl)cc3)nc3ccccc3c2c(=O)n1-c1ccc(Br)cc1 28646041 AWCOVDCFHZRJTM-UHFFFAOYSA-N 476.761 6.325 5 1 JKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)c1 587270881 VRBAZMGFSPPVQU-UHFFFAOYSA-N 463.213 5.981 5 1 JKBF C[C@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611718 JKBCMEBFZHSRAV-WIOPSUGQSA-N 459.479 5.906 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)N1 587702873 WZFHANNQQCSMSW-YTEVENLXSA-N 491.744 6.566 5 1 JKBF COc1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C 963113055 UUWDXZNIIGRRRV-FQEVSTJZSA-N 481.767 5.352 5 1 JKBF CCOC(=O)CSC1=N[C@@H](c2cccc([N+](=O)[O-])c2)c2sc3ccc(Cl)cc3c2N1 1857563009 DIVMOUMQQXKJIR-KRWDZBQOSA-N 461.952 5.630 5 1 JKBF O=C(O[C@H]1C[N+]2(CCCc3ccc(Cl)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857580643 NEAHJXCOGMHPKA-JUEZVXFGSA-N 491.051 5.361 5 1 JKBF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82134778 YUCGSYJCTRSECJ-LFPKLNKRSA-N 491.636 5.335 5 1 JKBF CC[N+]1(C/C2=C\CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 168022670 GLDYHLSKVOYFPU-FMCGGJTJSA-O 459.654 6.320 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587117231 QQWOJVOMWHIWLE-UHFFFAOYSA-N 478.656 5.222 5 1 JKBF CC(C)CCOc1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Br 587264699 JTYQKMDVRZOCSX-UHFFFAOYSA-N 470.323 6.586 5 1 JKBF Cc1ccc(Oc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3n2C)c([N+](=O)[O-])c1 587509561 HPHCLHJAZLYJJW-SANMLTNESA-N 482.536 6.773 5 1 JKBF C[C@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576612 PBQBGBSSRAYOFD-RPLLCQBOSA-N 469.449 5.970 5 1 JKBF Oc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccccc4)c4nc(cc5ccc2[nH]5)C=C4)CC3)c1 40392542 RCORDTNGBIMRNT-UHFFFAOYSA-N 480.571 7.310 5 1 JKBF COc1ccc2c(=O)c3cc(C(=O)N[C@H](c4ccccc4)[C@@H](O)c4ccccc4)ccc3oc2c1 103228868 LHAHDFIWRHSHGQ-SXOMAYOGSA-N 465.505 5.160 5 1 JKBF O=c1c2cc(Br)c3ccccc3c2oc(=S)n1-c1ccc([N+](=O)[O-])cc1Cl 169324309 JSXAATGZESNANH-UHFFFAOYSA-N 463.696 5.790 5 1 JKBF O=C(c1ccc(Cl)cc1)[C@H](CSCc1cccc([N+](=O)[O-])c1)n1cnc2ccccc21 473108537 NAPUANUBXYGWHO-QFIPXVFZSA-N 451.935 5.955 5 1 JKBF Cc1c(Br)ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 587053132 BNIPVTZMQSYMNG-MRXNPFEDSA-N 465.735 5.323 5 1 JKBF Cc1cc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc2cc1[N+](=O)[O-] 587240349 TWAAUZVDWWFENM-UHFFFAOYSA-N 498.539 5.324 5 1 JKBF O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 587333018 HEWPRHGLMVQVJN-IXCJQBJRSA-N 469.468 5.937 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c([N+](=O)[O-])c2)N1 587681090 WDAAEVFGRDOOPY-XLFHBGCDSA-N 458.125 5.057 5 1 JKBF COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587747589 ORICZTNZEJIMEO-OYLFLEFRSA-N 485.353 5.526 5 1 JKBF CCc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587752324 RAIPQJYJZJRVEZ-XMHCIUCPSA-N 459.315 5.478 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)cc1 49089330 QPVNFCZDBKBOIZ-UHFFFAOYSA-N 459.303 6.563 5 1 JKBF CCCc1ccc2nc(/C=C/c3cccc([N+](=O)[O-])c3)n(-c3ccc(C(=O)O)cc3)c(=O)c2c1 58568671 IDZNQQYUSYPESR-RIYZIHGNSA-N 455.470 5.115 5 1 JKBF O=C(O)/C=C/c1cccc(Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2cccc(/C=C/C(=O)O)c2)c1 72107484 AFHNXMQGGNTBDO-MKICQXMISA-N 497.467 5.221 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82148653 BMARVYHFWYODEB-UHFFFAOYSA-N 473.577 5.767 5 1 JKBF Cc1cc2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] 587073241 HZXYIBYQYUBVSI-DEOSSOPVSA-N 470.957 5.902 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3cc(C)ccc3C(C)C)c([N+](=O)[O-])c1)CC2=O 587473183 QVMNVUCCKVWETQ-SANMLTNESA-N 475.541 7.184 5 1 JKBF Cc1cc(OCc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1[N+](=O)[O-] 587748205 SQGCAQGFGDWMBV-XMHCIUCPSA-N 475.314 5.600 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1 587750936 KPTYJSGIAKPPTB-LFVRLGFBSA-N 471.326 5.699 5 1 JKBF COc1ccc2c(c1OC)[C@](C[C@H]1CCC[C@@H](C(=O)O)C1)(c1ccc([N+](=O)[O-])cc1)N(C)[C@H](C)C2 962629834 QBEGOTWGUJOFBU-YLPXZSMZSA-N 482.577 5.013 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1[C@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963011276 FXFKUESMSZLSRS-UPVQGACJSA-N 489.915 5.279 5 1 JKBF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)N1 963187639 SHHYSHQLBWSPOD-UWJYYQICSA-N 479.842 5.001 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2nc3ccccc3s2)cc1 82174494 NVLPZYUPELQCHG-UHFFFAOYSA-N 483.509 5.669 5 1 JKBF O=[S@](CCCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(Br)cc1 586961662 XKPWNYJIMBWZGG-GDLZYMKVSA-N 465.376 5.162 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O 587466300 KGLHCQNAOKDQIQ-DEOSSOPVSA-N 455.869 5.954 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 587550226 VTJFIBVOYXFYKA-BVAGGSTKSA-N 489.867 6.449 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 587694597 MJRZNNHWSJSBTP-CFMSYZGJSA-N 465.706 6.033 5 1 JKBF CC(C)OC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587747197 NAQARBFJYOULJP-LLCGJURNSA-N 491.357 5.281 5 1 JKBF Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C)cc4)c-3c/c2=N\CC2CCNCC2)cc1 27649079 TYRMDPPVIZEGJT-CDSHQWRTSA-N 487.651 6.391 5 1 JKBF CCCCC(O)(CCCC)[C@H](Cc1c[nH]c2ccccc12)NCc1c2ccccc2cc2ccccc12 71317060 DCHMJFAEZDKAIA-XIFFEERXSA-N 492.707 8.287 5 1 JKBF COC(=O)c1cc2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2cc1OC 587037950 OGDCOBKPOOVAIE-UHFFFAOYSA-N 492.538 5.694 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587072075 UUSTXRJUQMQTCN-TWGQIWQCSA-N 484.737 6.636 5 1 JKBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587268346 SFRASCFKXHAZHR-UHFFFAOYSA-N 472.427 5.110 5 1 JKBF COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587579424 ZSZSZNAOEOGBGK-LSYYVWMOSA-N 498.491 5.624 5 1 JKBF O=[N+]([O-])c1ccc(N2CCN(CC[C@@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1 13861740 WIAJLSSJTOJBIE-RUZDIDTESA-N 485.506 5.946 5 1 JKBF COc1ccccc1CCNc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134892 JFLQRDRBJKVSJA-MBSDFSHPSA-N 489.576 5.024 5 1 JKBF Clc1cc(NCCCN2CCOCC2)c2cc3c(nc2c1)c1ccccc1n3CCN1CCCC1 299864092 LWXYDZSBNRMXDZ-UHFFFAOYSA-N 492.067 5.226 5 1 JKBF COc1ccc(-c2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(F)c2)c(F)c1 587149973 XEBAVXAPORYCCP-UHFFFAOYSA-N 460.234 5.854 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 587323368 JUSBYALJCKMGGT-GMAHTHKFSA-N 484.277 5.403 5 1 JKBF COc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 587577243 RFMGODWWJKSFHA-RPLLCQBOSA-N 485.448 5.804 5 1 JKBF O=[N+]([O-])c1cccnc1Oc1ccc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962960529 UZSQBOCJBKYTEU-QFIPXVFZSA-N 485.462 5.542 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@@H]3C3CCCCC3)c2c1 1857643577 OOXIOBKLBFIXOW-AREMUKBSSA-N 484.065 5.756 5 1 JKBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCCc2ccccc2F)cc1 774398 BSAUSKSCLGWVHM-UHFFFAOYSA-N 495.894 5.690 5 1 JKBF C[N+](C)(C)CCO[P@](=O)(O)OCCCCCC1CCCCCCCCCCCCCC1 29134037 OGHMMFFRWJXSFE-UHFFFAOYSA-O 462.676 7.478 5 1 JKBF O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3cc4ccccc4cc3c2=O)cc1 58574840 ZEEHOJSQWZGUDC-MDWZMJQESA-N 463.449 5.316 5 1 JKBF CCCCCc1nc(-c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174280 GTOHLOGDKQZOSV-UHFFFAOYSA-N 463.582 6.740 5 1 JKBF O=C1c2ccccc2-c2cc(COc3ccc4c(c3)oc(=O)c3ccccc34)nc3ccc(O)c1c23 586993312 FRKRVQVATAUOLQ-UHFFFAOYSA-N 471.468 5.990 5 1 JKBF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)c1 587049664 KDCGCHRRRPTNBL-UHFFFAOYSA-N 456.683 6.034 5 1 JKBF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587147483 QNTHDYBXGZJSBL-UHFFFAOYSA-N 486.253 5.414 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 587859100 BRFMGWSJQRGWEP-ZDUSSCGKSA-N 464.305 5.580 5 1 JKBF COc1ccc(N2C(=O)c3c(c4[nH]c5ccc(OC)cc5c4c4ccc(C(C)(C)C)cc34)C2=O)cc1 1634937 SMQXLJIANBDNHF-UHFFFAOYSA-N 478.548 6.590 5 1 JKBF O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 34315724 DIQXIWJNNCBKDZ-OKBRVIPFSA-N 467.680 6.195 5 1 JKBF O=C1c2ccccc2[C@](O[C@@H]2CC[C@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 35880580 RTMYOLAVEDNGOT-VVZHRXSXSA-N 478.932 5.035 5 1 JKBF O=C1c2ccccc2C(=O)N1CCCCCCCCCCOc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 58580913 WJEHWFPHLIAUTN-UHFFFAOYSA-N 493.387 6.697 5 1 JKBF COc1cc2cc(C(=O)[C@@H]3CCC[N@+](C)(Cc4ccc([N+](=O)[O-])o4)CC3)sc2cc1OC 253778880 KFZOWBNTEIELDM-BZQUYTCOSA-N 459.544 5.049 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(/C(=C\c3ccccc3[N+](=O)[O-])N3CCC2CC3)[C@H]1c1ccc(F)cc1 587340136 VCRAHSMABPVTNR-PYDAPNJZSA-N 486.499 5.304 5 1 JKBF COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1ccc4c(oc(=O)c5ccccc54)c1C)[C@@H](C2)C3=O 587450782 GHZDGPKHNPLWOQ-INXTYWPVSA-N 456.494 5.237 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Br)cc2[N+](=O)[O-])N1 587675616 AMDLMNVBCSDABJ-XTZNXHDOSA-N 472.152 5.251 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])N1 587749153 XOZATMZFDXWYCW-AMXDTQDGSA-N 485.309 5.485 5 1 JKBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(-c3ccccc3C(F)(F)F)cc(Cl)cn12 1857648632 WYSNEPVRPJHGLQ-UHFFFAOYSA-N 495.866 5.556 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc([N+](=O)[O-])cn3)c(OCC)c1)CC2=O 587468617 ABXJXXHETVOICF-QFIPXVFZSA-N 464.474 5.545 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c(N)c3)c(C)c2c1 587618803 VSRPBJLJESVNHR-UHFFFAOYSA-N 486.937 5.097 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc2)N1 587745665 ICYZZELLNMKFOX-VERVWZFWSA-N 485.309 5.485 5 1 JKBF O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1 1772602505 JGSDGCJDAQYFJJ-UHFFFAOYSA-N 460.511 5.783 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@@H](c1cccc(O)c1)C1=C(COC1=O)N3 1772624145 UGYTXUCVKZDVNO-RUZDIDTESA-N 499.519 5.101 5 1 JKBF CC(C)C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 36189674 ZFXRZGCZDCRDBC-VFRKKVTHSA-N 495.664 5.816 5 1 JKBF COc1c(CN(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1OC(C)(C)C=C2 72181227 BDCBTZHWNZRKBX-UHFFFAOYSA-N 494.569 5.179 5 1 JKBF CCCN(CCC)C[C@@H](O)c1cc2cc(Br)ccc2c2cc(Br)ccc12 169337961 QLNYJDZODATQGW-JOCHJYFZSA-N 479.256 6.673 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c1)CC2=O 587491828 NKGHJGCUSGXTAC-JOCHJYFZSA-N 469.946 6.764 5 1 JKBF CCN(CC)CC/N=c1\cc2n(-c3ccc(C)cc3)c3ccccc3nc-2cc1Nc1ccc(C)cc1 27651284 FLHOEGKUTCJNOO-PJJLUWSFSA-N 489.667 6.733 5 1 JKBF CCOP(=O)(OCC)[C@H](O)c1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 169346756 OLYMWKPKZVDPCV-NRFANRHFSA-N 458.411 5.052 5 1 JKBF C[N+](C)(C)CCO[P@@](=O)(O)OCCC12C[C@H]3C[C@@H](CC(CCOCc4ccccc4)(C3)C1)C2 169356641 IBVZQPMMKNNAQS-ZCCOPBOASA-O 480.606 5.410 5 1 JKBF Cc1ccc(-n2ccnc2SCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(C)c1 586966503 ORJUWXRFTLVIQI-UHFFFAOYSA-N 458.341 5.328 5 1 JKBF C[C@@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335202 ZVUTYHFSINPTBG-GGAORHGYSA-N 491.393 5.698 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 587859801 JCIFAPJGOMBYBR-UHFFFAOYSA-N 486.315 5.097 5 1 JKBF COc1ccccc1NC(=O)Nc1ccc(N=c2c3ccccc3[nH]c3cc([N+](=O)[O-])ccc23)cc1 653774527 KPMDOZSPOODBPM-UHFFFAOYSA-N 479.496 6.114 5 1 JKBF O=C([C@@H]1Cc2ccccc2[C@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1)C(F)(F)F 962728224 CZIJPUVFXXCVMM-RXVVDRJESA-N 464.509 5.755 5 1 JKBF O=C(NCCOc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2481458 HCCCKCSXMUOXMQ-UHFFFAOYSA-N 498.322 6.032 5 1 JKBF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccnc4c3ccc3ccccc34)C[C@@H]1O2 84617569 UUYWPFUZRDDDJZ-DHGLHQTCSA-N 466.581 6.020 5 1 JKBF CCCC[C@@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 474602102 AIKNDCYBVNXHND-JOCHJYFZSA-N 451.479 5.103 5 1 JKBF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587059248 VOIDMPMPAISOTQ-NSHDSACASA-N 478.719 7.364 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1 587136155 WFQKPIGGVQMKNW-UHFFFAOYSA-N 494.242 7.034 5 1 JKBF CC(C)CCCCCCCCCCCCCCCCCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587956924 GEANERZIUQLCGQ-UHFFFAOYSA-N 461.666 9.050 5 1 JKBF O=[N+]([O-])c1ccccc1-n1cccc1[C@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962953516 JDKGXIKHODJMGN-JOCHJYFZSA-N 457.452 5.145 5 1 JKBF COc1ccc(Nc2ncnc3c2[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(c(=O)oc4ccccc24)O3)cc1 1772650822 HBWUZUXPOWKPBN-NRFANRHFSA-N 494.463 5.529 5 1 JKBF CN(c1ccc2c3cccc4c3c(c3ccccc3n4C)[n+](C)c2c1)S(=O)(=O)c1ccc(F)cc1 29135137 FNBAVWRFLKOBFH-UHFFFAOYSA-N 484.576 5.427 5 1 JKBF Cc1nc2ccccc2c2nc(Oc3ccc([N+](=O)[O-])cc3Cl)n(-c3ccc(Cl)cc3)c(=O)c12 82150776 URIHJELVCLOOSP-UHFFFAOYSA-N 493.306 6.250 5 1 JKBF O=[N+]([O-])c1ccc2c(c1)c(OCc1cccc3ccccc13)nn2Cc1cccc2ccccc12 103263944 XXEKUHPLQBJSJY-UHFFFAOYSA-N 459.505 6.878 5 1 JKBF O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1cccc([N+](=O)[O-])c1 205070123 IZKZPKQDVQNBPQ-UHFFFAOYSA-N 471.321 7.057 5 1 JKBF [O-][N@+]12CCC[C@]3(O)CCCCCC[C@@H]4CCN5CCC[C@@H](CCCCCC[C@H](CC1)O[C@@H]32)[C@@H]5O4 255220900 JETHRNCQQWIYDV-AWVKLZGMSA-N 478.718 5.463 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1Cl 587178721 JJBLBNJGQTYSAB-UHFFFAOYSA-N 467.572 5.415 5 1 JKBF COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587409259 HJXNXRKAEGQRJV-OAQYLSRUSA-N 466.515 5.360 5 1 JKBF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(Oc3ccc([N+](=O)[O-])cc3)c2c1 587639384 UIYXQPBOABGPFF-OAHLLOKOSA-N 465.347 7.811 5 1 JKBF CCn1cc([N+](=O)[O-])cc1[C@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587677969 BLUIAVOGDUZCAW-FVMDXXJSSA-N 499.595 5.466 5 1 JKBF COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nc3sc4c(c3c2=O)CCC4)cc1 28949070 MHUHLSGLKDSXHV-UHFFFAOYSA-N 465.556 5.145 5 1 JKBF CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]2C1 195512966 VXTVSKBDSNWWFW-XNUORRLQSA-N 471.557 5.909 5 1 JKBF CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]3[C@H]2C1 299816801 SCFFICSANODMCT-DZLZGQEYSA-N 471.557 5.909 5 1 JKBF c1ccc(Cn2c(SCc3nc4c5cccnc5c5ncccc5c4[nH]3)nnc2C2CC2)cc1 586966075 CQWMNXBBLXBJSM-UHFFFAOYSA-N 463.570 5.469 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c3ccccc3c3ccccc3c2[nH]1 587054516 LMQDLXZAAGVTNZ-JOCHJYFZSA-N 472.932 6.558 5 1 JKBF Cc1nc2cccc3c2c(c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O)CC3 587211002 JNXWVMYAOMLSOA-CLJLJLNGSA-N 464.477 5.100 5 1 JKBF CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587221377 FOQIWWQUPULJSX-DEOSSOPVSA-N 499.571 6.272 5 1 JKBF CC(C)(C)[C@]1(COc2ccc([N+](=O)[O-])cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325901 HLXLZQWCZFOSFL-ZEQKJWHPSA-N 499.922 6.316 5 1 JKBF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 587512381 NFKKSBFEAGSBNO-MHZLTWQESA-N 466.537 6.492 5 1 JKBF Cc1c(Br)ccc([N+](=O)[O-])c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587672176 DOWBVDHDFORDRK-QPFGOUBPSA-N 458.125 5.191 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)N1 587842732 FVSQBHXQNASRAN-WHEQGISXSA-N 473.367 6.271 5 1 JKBF CC[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963192869 PLPHAHGFNNSHER-CRAIPNDOSA-N 463.239 5.173 5 1 JKBF COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC2CCCCC2)c([N+](=O)[O-])cc1OC 773384 LGRWKHAUIDYJPY-UHFFFAOYSA-N 469.469 5.136 5 1 JKBF CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 3979253 VIWYNYQMSZDNII-UHFFFAOYSA-O 461.670 6.400 5 1 JKBF O=C1c2cc(F)ccc2[C@](OCC2(CO)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 72125921 NWINZFXRUSOEIC-AREMUKBSSA-N 496.922 5.034 5 1 JKBF O=C1C2=C(CCCC2)[C@](OCC2(CO)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 72126860 SZSOLNXOTCMDMI-AREMUKBSSA-N 482.964 5.103 5 1 JKBF O=[N+]([O-])c1ccc([C@@H](O)C[C@@H](O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 95785113 AVXZWYCDHOFEQY-YADHBBJMSA-N 462.527 5.494 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)cc(Cl)c2c2cc(C(F)(F)F)ccc12 169338931 JQJKCOSAIWQYJP-HSZRJFAPSA-N 486.405 8.254 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc([N+](=O)[O-])c2)N1 587683731 WYXJVPZSQMAYAE-HUTHGQBESA-N 458.125 5.057 5 1 JKBF O=C([C@H]1Cc2ccccc2[C@]2(CCCC(Nc3ccc([N+](=O)[O-])cc3)=C2Cl)N1)C(F)(F)F 962727801 AXVBIMMTCPLFAN-NQIIRXRSSA-N 465.859 5.182 5 1 JKBF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccc(Oc2ccc(Cl)c(C)c2)c([N+](=O)[O-])c1 963236906 YEWYGGDGTBHOJT-XHCCPWGMSA-N 464.993 7.269 5 1 JKBF COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)c2cc1OC 13610103 PLKJJHPCIPKTMV-UHFFFAOYSA-N 460.446 5.597 5 1 JKBF CC(=O)c1ccc2c(c1)c1cc(Br)ccc1c1nc(-c3c(F)cccc3Cl)[nH]c21 45260404 QNDJSXHJXDKQDJ-UHFFFAOYSA-N 467.725 7.294 5 1 JKBF O=[N+]([O-])c1cccc(-c2nc(NCc3ccccc3)ncc2-c2ncc(-c3ccccc3)s2)c1 82163816 KEHFWWWYKHMZLR-UHFFFAOYSA-N 465.538 6.454 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)ccc1Sc1nc2ccccc2s1 587037419 IRXRLAJDJFTPGI-UHFFFAOYSA-N 496.573 7.691 5 1 JKBF Clc1cccc(OCc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)o2)c1Cl 587055645 JLBVATXEEYZYTI-UHFFFAOYSA-N 461.308 6.805 5 1 JKBF O=[N+]([O-])c1cccc(CCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 587270660 PZDOTPKVKXWMFW-UHFFFAOYSA-N 452.308 5.598 5 1 JKBF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C)cc1[N+](=O)[O-] 587512515 YLAUQQFBCIPOBG-MHZLTWQESA-N 473.525 6.076 5 1 JKBF Cc1ccc(NS(=O)(=O)c2ccc(-n3nc4cc3Oc3ccc(F)cc3-4)c([N+](=O)[O-])c2)c(C)c1 587876550 TYNDJEANINJPNI-UHFFFAOYSA-N 480.477 5.110 5 1 JKBF COc1ccc(CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2Cc2ccccc2)cc1 1857574624 FVTQWKXQUYGDCA-UHFFFAOYSA-N 477.502 5.111 5 1 JKBF Cc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2C)cs1 8672350 XHMVULDPWZCPKR-UHFFFAOYSA-N 451.533 5.788 5 3 JKBF CCN1CCC[C@@H]1C/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 27653104 DZFVFGGZJZYPHO-CMGJMWEPSA-N 473.624 6.259 5 1 JKBF O=[N+]([O-])c1cc2c(OCC[C@@H]3CCCCN3)c(-c3cc(Cl)cc(Cl)c3)c(O)nc2cc1Cl 29461832 HWLSYBCFIZUFFT-HNNXBMFYSA-N 496.778 6.387 5 1 JKBF O=[N+]([O-])c1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]32)cc1 299814123 LMBHSQMAJGISMT-RZCBTRPQSA-N 467.569 6.241 5 1 JKBF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587124997 YXDMJKSEEZNLBO-UHFFFAOYSA-N 499.268 6.231 5 1 JKBF C[C@]1(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338837 RYJHMDHAHJBOQZ-XRKRLSELSA-N 499.494 6.293 5 1 JKBF Cc1ccc(C(=O)Nc2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1[N+](=O)[O-] 587508932 GQYYXAWXPDIRSJ-NDEPHWFRSA-N 470.525 5.915 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc([N+](=O)[O-])cc1 587575683 KFNVWSOSGSIVAQ-IGKIAQTJSA-N 469.449 5.582 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)N1 587691881 DVAUJZDCEKNEMR-PRWKNARSSA-N 464.722 5.564 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 587752865 UBCUFPKVKDYGMM-XMHCIUCPSA-N 457.299 5.912 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587779595 UPARQIMEAQKSHQ-OIRASMEMSA-N 467.338 5.349 5 1 JKBF COc1c(Cc2cccc3ccccc23)cc(O)n1-c1cccc(Br)c1[N+](=O)[O-] 587935706 FHAIRGQJQZLADV-UHFFFAOYSA-N 453.292 5.606 5 1 JKBF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1cccn1-c1ccccc1[N+](=O)[O-] 963905692 ZTQOXUPVTZBJMM-KBMIEXCESA-N 491.544 5.420 5 1 JKBF O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1)NCCCN1CCCC1=O 13814839 JMKWZXFWHSLFSK-WEVVVXLNSA-N 494.400 5.195 5 1 JKBF CCN(CC)CCn1[nH]c2c3ccc(OCc4ccccc4)cc3nc3c([N+](=O)[O-])ccc1c32 27526070 DUVICMFIYZFPKM-UHFFFAOYSA-N 457.534 5.500 5 1 JKBF CCOc1cc2oc3cc(OCC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C 39166366 URKKQYOYBPWWGJ-UHFFFAOYSA-N 466.574 6.475 5 1 JKBF biogenic O[C@H](C[C@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(Br)ccc12 169338871 CNQDJSRIJDOHSD-IIBYNOLFSA-N 452.314 6.340 5 1 JKBF O=C(Nc1nc(-c2cc3cc(Br)ccc3o2)cs1)Nc1ccccc1[N+](=O)[O-] 473089159 QWXOTBKEKBVYLH-UHFFFAOYSA-N 459.281 5.871 5 1 JKBF FC(F)(F)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(I)c1 587179229 RZNOQJYLEXAXDJ-UHFFFAOYSA-N 490.226 5.950 5 1 JKBF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587330507 BUDPVKXCGMKHJR-DHLKQENFSA-N 451.450 5.285 5 1 JKBF CC(=O)Oc1ccccc1[C@]1(c2cccc([N+](=O)[O-])c2)NCCc2cc(-c3ccccc3)ccc21 962658196 CFQQKNINFAYCDR-GDLZYMKVSA-N 464.521 5.625 5 1 JKBF CCN(CC)CCSc1cc(C)nc2c(C)c3nc(C)cc(SCCN(CC)CC)c3cc12 13554551 XTLMAZQUHXTZFK-UHFFFAOYSA-N 484.779 6.576 5 1 JKBF O=C(NCc1ccccc1C(F)(F)F)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134293 PKMVSOYTBSJBGU-UHFFFAOYSA-N 485.466 5.355 5 1 JKBF COc1ccc(CCNc2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82135470 FVSMYNMMOUZVMB-UHFFFAOYSA-N 489.576 5.120 5 1 JKBF Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174380 ADJMVDDHNZJAHI-UHFFFAOYSA-N 457.534 6.233 5 1 JKBF CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N=C(SCc2ccccc2)N1 102254614 WQYQQVKKFMADEV-QHCPKHFHSA-N 476.533 5.580 5 1 JKBF COc1cccc(-c2cc(-c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)nc3c2oc2ccccc23)c1 587361908 BTJRXPFIIIQALU-UHFFFAOYSA-N 469.453 6.757 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1NCc1ccc(OC)cc1)CC2=O 587473711 ZWXDCWAIJWNNKR-VWLOTQADSA-N 462.502 5.580 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2nc3ccccc3s2)cc1 82174656 YWUKICCNVICIDI-UHFFFAOYSA-N 471.517 6.122 5 1 JKBF O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1cc(C(F)(F)F)c(Cl)cn1 103280330 NHOWDCBMLDWZRS-UHFFFAOYSA-N 465.093 5.986 5 1 JKBF C[C@]1(c2ccc(Br)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322105 LKZMIHPVOUVEKE-IFMALSPDSA-N 472.266 5.476 5 1 JKBF CCOc1ccc(-c2nn(-c3nc4ccc([N+](=O)[O-])cc4s3)c(=O)c3ccccc23)cc1OCC 587670168 IIFHKVNNWRHGOH-UHFFFAOYSA-N 488.525 5.368 5 1 JKBF Cc1c(OC[C@]2(C)c3ccsc3CCN2Cc2ccco2)ccc2c1oc(=O)c1ccccc12 962707745 ODBJZXRDMQMSLV-MUUNZHRXSA-N 471.578 6.262 5 1 JKBF O=C(O[C@H]1C[N+]2(CCCCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857539074 VLRJRPJTORUGQW-GEMBBTIOSA-N 484.660 5.488 5 1 JKBF O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1 13587595 JBBXVIDGJVLZDU-UHFFFAOYSA-N 472.409 5.189 5 1 JKBF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 29394348 KCXHYGGBNFDKMD-RPWUZVMVSA-N 494.544 6.613 5 1 JKBF Cc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82135828 LTWDVUDPCNYFQU-BGYRXZFFSA-N 473.577 5.133 5 1 JKBF O=C(NCC1CCCCC1)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 82148503 RTEOPGWPZCMJPU-UHFFFAOYSA-N 493.995 5.670 5 1 JKBF Cc1oc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163477 GNLCEEKJGKYMRB-HXOBKFHXSA-N 469.545 6.673 5 1 JKBF CC(C)=CCc1c(O)cc2c(=O)c3c(O)c4c(c(CC=C(C)C)c3oc2c1O)OC(C)(C)C=C4 136688786 AQUXPMPDPAMIHE-UHFFFAOYSA-N 462.542 6.265 5 1 JKBF CC(C)Cn1c(SCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl 586965775 XZWZWTLXBDVWLZ-UHFFFAOYSA-N 495.367 6.124 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587109286 GESIXSMCSOKIEI-UHFFFAOYSA-N 482.178 6.056 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSc2nc3ccc([N+](=O)[O-])cc3s2)N1 587856041 HTLHIJNSCUWFOJ-GIGQVBGESA-N 482.400 5.648 5 1 JKBF COc1cc2c(cc1OC)[C@@H](c1nc3ccccc3c3ncccc13)N(C(=O)c1ccccc1N)CC2 963161159 XQELLLZHYBSTJZ-LJAQVGFWSA-N 490.563 5.170 5 1 JKBF O=[N+]([O-])c1ccc2c(c1)C1=NN(c3ccccc3)[C@H](c3ccccc3Br)[C@@H]1CCC2 6041296 XJCLRQALYIQTDK-HYBUGGRVSA-N 462.347 6.275 5 1 JKBF CC1(C)O[C@@H](C(=O)Nc2cc3c4ccccc4ccc3c3ccccc23)[C@H](C(=O)N2CCCCC2)O1 6041708 BTAWMAVYABIPDI-KAYWLYCHSA-N 482.580 5.617 5 1 JKBF O=[N+]([O-])c1cccc(-c2cc(N(CCCN3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)c1 13437524 SUTYVKBDMFTKBS-UHFFFAOYSA-N 478.549 5.251 5 1 JKBF CCN(CC)CCn1c2ccccc2c2c1c(=O)c1ccc(Cl)cc1n2CCN(CC)CC 64549321 RWVAHSKWAMMZBX-UHFFFAOYSA-N 467.057 5.446 5 1 JKBF C[C@@H](Nc1ncnc2[nH]c(-c3ccc(OCCCCCCC(=O)NO)cc3)cc12)c1ccc(F)cc1 138907202 NRSHGRFGQTUKNG-GOSISDBHSA-N 491.567 5.772 5 1 JKBF O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 299822785 BRSAETBHZWDCBZ-VURMDHGXSA-N 471.300 5.607 5 1 JKBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587261735 HKJLGFKEABGBRY-UHFFFAOYSA-N 460.206 5.062 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)cc1 587272636 OSHYZMRATLSCQI-UHFFFAOYSA-N 455.224 5.601 5 1 JKBF Cc1[nH]c2cc(Cl)c(F)cc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587631422 LSBYQIMPXZLKCN-XZOQPEGZSA-N 478.863 5.727 5 1 JKBF O=S(=O)(Nc1ccc(N=c2c3ccccc3[nH]c3ccccc23)cc1)c1ccc(Cl)cc1 653769914 DZEHKFZAYZKAIR-UHFFFAOYSA-N 459.958 6.008 5 1 JKBF COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCC(C)C)c([N+](=O)[O-])cc1OC 774883 HIVIUHAAYJCMFO-UHFFFAOYSA-N 473.913 5.363 5 1 JKBF COc1ccccc1CN(C)CCCCCCCOc1ccc2c(=O)c3ccccc3oc2c1 28642018 HCYIWPLGUFGDSL-UHFFFAOYSA-N 459.586 6.416 5 1 JKBF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 82134658 UWWPEOZGKBKMRO-HXOBKFHXSA-N 477.540 5.154 5 1 JKBF C[C@H]1[C@@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C 105175314 ZNUMGBWEBACCLN-POWYHZRHSA-N 491.636 5.845 5 1 JKBF O=C1CCc2cc3nc(-c4ccc(Sc5nc6ccccc6s5)c([N+](=O)[O-])c4)[nH]c3cc2N1 587037345 HVNHDCAIIZZGCY-UHFFFAOYSA-N 473.539 5.784 5 1 JKBF O=[N+]([O-])c1cnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 587075240 GWMQZMRBTCUILY-RVDMUPIBSA-N 453.889 6.222 5 1 JKBF CCCCOc1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2cc1Br 587136951 MCWONLYUMSYVIX-UHFFFAOYSA-N 465.323 5.496 5 1 JKBF C[C@H](CC(=O)O)[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325002 BNDWGQYOJOAUEL-JXTUCRGQSA-N 499.878 5.458 5 1 JKBF CCCCN(CCCC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 587663377 BWIKDLSOLDZQJY-UHFFFAOYSA-N 486.572 6.073 5 1 JKBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccccc2O)cc1 13584477 DEZFDCMFAWHGOB-UHFFFAOYSA-N 469.526 5.448 5 1 JKBF C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C 82163538 FMLQWWGQNCQFBY-KHNCNGADSA-N 485.613 6.811 5 1 JKBF O=c1oc2cc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)ccc2c2ccccc12 103268641 RJJWSQYVDLSJAB-UHFFFAOYSA-N 486.543 6.265 5 1 JKBF CCOc1cc(/C=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(Br)c1OC 586978378 QANRFFIBEPJUMN-HJWRWDBZSA-N 475.346 6.000 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3c(Br)ccnc3[nH]2)ccc1Sc1nc2ccccc2s1 587035224 NXDQPPZCEKSTPH-UHFFFAOYSA-N 484.360 6.057 5 1 JKBF CCCCOc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1Br 587109486 LOVNFCMMTFKJHG-UHFFFAOYSA-N 472.261 6.022 5 1 JKBF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587141283 NWDOKBGEGQTNBF-IBGZPJMESA-N 497.983 5.518 5 1 JKBF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 587147587 VENRZQSSFNXWMI-UHFFFAOYSA-N 462.480 7.049 5 1 JKBF CCC[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587200022 WFVRCPRRWPZQHX-QFIPXVFZSA-N 471.517 5.588 5 1 JKBF COCCNc1ccc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1[N+](=O)[O-] 587262410 UKXKQLNJFMKPDW-UHFFFAOYSA-N 477.359 5.384 5 1 JKBF CC(C)(C)[C@@]1(COc2ccc([N+](=O)[O-])cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325900 HLXLZQWCZFOSFL-OZXSUGGESA-N 499.922 6.316 5 1 JKBF Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336390 TYIKSCQIKUXRQJ-XNMGPUDCSA-N 488.446 5.464 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(C(=O)c3cccc4ccc5cccc2c5c34)[C@@H]1c1ccc(F)cc1 587355093 SGJFOKQHNWXGFO-OFSOJUDTSA-N 460.460 6.288 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccccc3C(=O)OC)c([N+](=O)[O-])c1)CC2=O 587472852 NIZNDQROTTYBKI-DEOSSOPVSA-N 477.469 5.538 5 1 JKBF CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cccc([N+](=O)[O-])c21 587511752 ILAOJAVWUWBEMX-JOCHJYFZSA-N 462.502 5.918 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccccc1[N+](=O)[O-] 587574685 GJNIXDRQZROPOB-BVAGGSTKSA-N 455.422 5.796 5 1 JKBF O=[N+]([O-])c1ccc(C[C@@]2(C(F)F)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 963830854 CPDQJWUYKXGGTP-AREMUKBSSA-N 463.484 5.504 5 1 JKBF CN(C)c1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1 1857573868 ZSUQUJXUAVOABB-UHFFFAOYSA-N 460.459 5.686 5 1 JKBF COc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2Cc2ccccc2)cc1 1857598392 VOFCQICJGLFEIY-UHFFFAOYSA-N 477.502 5.111 5 1 JKBF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c12 15120662 ZAXOSWZCOUYSSE-LICLKQGHSA-N 464.558 6.513 5 1 JKBF in-vitro O=C(NCC1CCCCC1)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 82134978 ABGXZCQUIPXLGF-UHFFFAOYSA-N 493.995 5.670 5 1 JKBF COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)c(OCC(C)C)c1 299852940 ZRHIETIDPDRDPJ-UHFFFAOYSA-N 478.501 5.248 5 1 JKBF C[C@@]1(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338838 RYJHMDHAHJBOQZ-YTMVLYRLSA-N 499.494 6.293 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2=O 587466765 MQGQQCUGICSDRW-XMMPIXPASA-N 451.450 5.678 5 1 JKBF O=C(C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Nc1ccccc1 587574654 GEQBRZZKIZIQGR-LEAFIULHSA-N 496.475 5.186 5 1 JKBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587747484 OBUUQWUHZKAWLY-WSVYEEACSA-N 461.287 5.389 5 1 JKBF CC(C)CCCCCCCCCCCCCCCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587957274 JPECBXKTWNVXCX-UHFFFAOYSA-N 488.673 8.819 5 1 JKBF Cc1cc(C)nc(Sc2ccc([C@H]3c4ccsc4CCN3Cc3ccco3)cc2[N+](=O)[O-])n1 962706330 LVLNOFIDAHGULZ-QHCPKHFHSA-N 478.599 5.955 5 1 JKBF COc1cc2cc(C(=O)C[C@H]3CCCC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC 36286909 MKTGQOMRSQXJEL-CQHAJPFMSA-N 452.640 6.328 5 1 JKBF COc1ccc(CCNc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82148540 BRRIOBZOHCJSBY-UHFFFAOYSA-N 489.576 5.025 5 1 JKBF Cc1ccc2[nH]c3c(ccc4c(-c5cc6c(ccc7ccccc76)nc5Cl)nc(N)nc43)c2c1 103300124 ZZWXMIOHYUBRLH-UHFFFAOYSA-N 459.940 7.177 5 1 JKBF O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(O)=C1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)N2 104080793 LBUZVDDSNNCWTC-AREMUKBSSA-N 483.480 5.790 5 1 JKBF O=C(Nc1cccc([N+](=O)[O-])c1)O[C@@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 136877391 GKPYSHUAQDVIOU-IZZNHLLZSA-N 457.530 5.438 5 1 JKBF Brc1ccc(COc2ccccc2-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 586998042 GYXHJLSGWDJZNU-UHFFFAOYSA-N 479.377 7.878 5 1 JKBF Cc1ccc(-c2csc3ncnc(SCc4nc5c6cccnc6c6ncccc6c5[nH]4)c23)cc1 587038695 QFIWRVXGAOPOFB-UHFFFAOYSA-N 490.617 6.932 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c3cccnc3c3ncccc3c2[nH]1 587057998 ZDWRWSVARQFMKM-SFHVURJKSA-N 474.908 5.348 5 1 JKBF Fc1ccc(O[C@@H](c2ccccc2)c2nc3c4ccccc4c4ccccc4c3[nH]2)c(Cl)c1 587159890 XIWCOQRZRYLELM-MHZLTWQESA-N 452.916 7.830 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1ccc([N+](=O)[O-])cc1C(=O)OC)CC2=O 587473197 QXVUTMXWFAZBDR-DEOSSOPVSA-N 477.469 5.538 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)N1 587748308 UHKSNOHSXAALRA-SHACYNPGSA-N 495.352 5.393 5 1 JKBF O=C([C@H]1Cc2ccccc2[C@@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1)C(F)(F)F 962728225 CZIJPUVFXXCVMM-WIYYLYMNSA-N 464.509 5.755 5 1 JKBF COc1c(O)cc2oc3cc(O)c4c(c3c(=O)c2c1C/C=C(\C)CCC=C(C)C)OC(C)(C)CC4 15248834 CULSJOJLPQJAQK-LICLKQGHSA-N 478.585 6.705 5 1 JKBF CCCOCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163416 UQGYSFPEOQNZAH-UHFFFAOYSA-N 473.533 5.911 5 1 JKBF CC(C)(C)c1ccc2c(c1)[C@@](O)(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C2=O 142350087 BIKFEPYPIRNWIT-VWLOTQADSA-N 450.922 5.395 5 1 JKBF O=[N+]([O-])c1ccc([C@@H]2ONC3=C2[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1 195438023 LMBHSQMAJGISMT-QEJHQWKJSA-N 467.569 6.241 5 1 JKBF CC(C)Oc1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 587038024 PFJRODMYEVKNFZ-UHFFFAOYSA-N 462.556 6.686 5 1 JKBF CC(C)(C)OC(=O)N[C@]1(c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587239142 IKLCFXHTXQMPTO-ZJVHSOCCSA-N 471.601 6.424 5 1 JKBF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1ccccc1C(=O)OC)CC2=O 587461198 QOZXQKNTWLLFAJ-AREMUKBSSA-N 495.915 5.602 5 1 JKBF O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661590 OXWSOCRSDRLPSR-UHFFFAOYSA-N 479.876 5.667 5 1 JKBF Cc1ccc2oc3nc(C)c([C@]4(C)N[C@H](C)Cc5ccc(F)c(Br)c54)cc3c(=O)c2c1 587778972 PNMCWOFBECUWNF-SHZVTRLKSA-N 481.365 5.657 5 1 JKBF O=C(NCC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 773377 KFCRJVKUQWKZNR-UHFFFAOYSA-N 467.453 5.095 5 1 JKBF NCCCc1cc2c(-c3ccc(Cl)cc3Cl)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12 28956074 XKEASKIOEKUJCF-UHFFFAOYSA-N 463.368 5.937 5 1 JKBF COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1C/C=C(\C)CC/C=C(/C)CO 38250624 JOCULGMWCPVQGI-CRSJRTBWSA-N 494.584 5.788 5 1 JKBF 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)CO)C(C)(C)CCC1 59109812 IRGSMWBLPRDMQW-BRZOAGJPSA-N 484.768 10.018 5 1 JKBF in-vitro CC1(C)C[C@]2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)C(=O)O1 73137809 WVVPDZUTUIUEIL-PMERELPUSA-N 470.613 5.405 5 1 JKBF Cc1ccc(CCNc2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82134981 GDLDYVIUZHLSPK-UHFFFAOYSA-N 473.577 5.325 5 1 JKBF C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C 82149632 SCNVGYZCBUQNPT-IIPCHUTBSA-N 463.582 5.161 5 1 JKBF COC(=O)c1ccc2c(c1)c(NCCCNC(=O)Nc1ccccc1)c1c3ccccc3nc-1n2C 103146992 CBHACDVRXLNFKR-UHFFFAOYSA-N 481.556 5.242 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1CSc1nc(-c2cnn3ccc(Br)cc23)cs1 103299120 PPSPPIRHPDOJQW-UHFFFAOYSA-N 461.366 5.729 5 1 JKBF O[C@H]1c2nc(cc3ccc([nH]3)c(-c3ccccc3)c3ccc(cc4nc(c2-c2ccccc2)C=C4)[nH]3)[C@H]1O 169314835 MFHYGFIVJZPMFC-ZWXJPIIXSA-N 496.570 6.586 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1cc(OC)ccc1OC)[C@@H](C2)C3=O 587449054 AKDDUCAIKNPEKS-BVZFJXPGSA-N 479.510 5.261 5 1 JKBF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 587512380 NFKKSBFEAGSBNO-HHHXNRCGSA-N 466.537 6.492 5 1 JKBF O=C(O)/C(=C\c1ccccc1[N+](=O)[O-])NNc1nc(-c2ccc(Cl)c(Cl)c2)cs1 958043819 DTJMHADNHAIWAL-RIYZIHGNSA-N 451.291 5.067 5 1 JKBF Cc1ccnc2c1CCN[C@H]2c1c(Sc2ccc(C(C)C)cc2)n(C)c2ccc([N+](=O)[O-])cc12 963067718 AAARPUGTZMYPIH-SANMLTNESA-N 472.614 6.300 5 1 JKBF C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C 82224598 DTURGVAFSBMJGW-VIRUWPMXSA-N 477.609 5.597 5 1 JKBF COc1ccc(-c2cn3nc(-c4ccc(NCc5ccc(F)cc5F)c([N+](=O)[O-])c4)sc3n2)cc1 103230630 RSNFOUYNFXMWPJ-UHFFFAOYSA-N 493.495 5.932 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc12 169339496 NHDQSGWCRBMMDG-PMERELPUSA-N 461.734 8.524 5 1 JKBF CC(C)=CCC[C@@]1(C)CCc2c(c(O)cc3oc4cc5c(c(O)c4c(=O)c23)C=CC(C)(C)O5)O1 299859163 HSTJDOHTQKQSCH-NDEPHWFRSA-N 462.542 6.372 5 1 JKBF Cc1ccc2c3c(c4c(nc13)[C@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC4)-c1ccccc1C2=O 587097034 GSTGYUZOARBNQV-SFHVURJKSA-N 465.465 6.039 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3cccc(I)c3)[nH]c12 587183987 MXPHUSVSDKXTOP-PLNGDYQASA-N 470.064 5.009 5 1 JKBF COC(=O)c1ccc(Oc2ccc3nc([C@H](C)Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)cc1 587266170 WJLOAKIJUIGWPX-ZDUSSCGKSA-N 477.433 5.131 5 1 JKBF O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc12 587272220 QDRULKRRFQHWAV-UHFFFAOYSA-N 454.236 5.391 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 587697660 OQWWYYIWAMXALE-IPQOISQHSA-N 491.744 6.566 5 1 JKBF COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C 962631478 RMKPXFZFFIFHLA-LMKMVOKYSA-N 492.528 5.157 5 1 JKBF O=[N+]([O-])c1ccccc1NC1=C[C@@]2(CCC1)NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963819401 WTAFGJWKZVIUBW-GDLZYMKVSA-N 480.568 6.176 5 1 JKBF CS(=O)(=O)c1ccc(-c2[nH]c3cc(Cl)ccc3c2[C@H](C[N+](=O)[O-])c2cccs2)cc1 1857611714 UFPUQCFZHNMRLY-QGZVFWFLSA-N 460.964 5.362 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](c1ccc(F)c(F)c1)CC(=O)N3 1857755955 WDYOOWKVGYNCLY-AWEZNQCLSA-N 479.479 5.780 5 1 JKBF COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C 36413522 GVDDDYKLKUMEGV-WOJGMQOQSA-N 478.585 6.816 5 1 JKBF biogenic,in-vitro CC1CCN(c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82148152 FIMQPUKHVYYLPW-UHFFFAOYSA-N 499.493 5.237 5 1 JKBF CN(C)CCC/N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1cccnc1 299818799 COMPQROOZQLDHI-QLTSDVKISA-N 483.019 5.775 5 1 JKBF CCCCCOc1cc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2cc1Br 586980368 WKTIHAIXUAAFMG-UHFFFAOYSA-N 497.187 6.541 5 1 JKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587072662 ULVHMAKYYIXVBG-NYLOLIOWSA-N 481.177 6.907 5 1 JKBF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587231135 MSWLCTQXXUXIHH-UHFFFAOYSA-N 496.321 5.123 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 587552156 NWHPSMITROLCFI-ZEQKJWHPSA-N 489.867 6.449 5 1 JKBF Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587697864 UPSJOHVHKBAAQT-QKFKETGDSA-N 489.772 6.284 5 1 JKBF O=[N+]([O-])c1ccc(-c2ccc([C@H]3NCCc4c3[nH]c3ccc(OCc5ccccc5)cc43)s2)cc1 963833911 YXCPQGJURVQUHP-MUUNZHRXSA-N 481.577 6.619 5 1 JKBF C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 1772587109 OYDSTYBHWVDCGR-CQSZACIVSA-N 495.898 5.311 5 1 JKBF CCCCNC[C@H](O)COc1cc(OCc2cccc(Cl)c2)c2c(=O)c3ccccc3oc2c1 1772611729 SLUYTGMSMMGWKG-FQEVSTJZSA-N 481.976 5.308 5 1 JKBF CN(C)CCCn1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(-c2ccc(F)cc2)n1 1772630143 GVJWSOAUUBDIPM-UHFFFAOYSA-N 465.536 5.281 5 1 JKBF CCCCCCn1cc(-c2cc(-c3ccc(OC)cc3)c3c(cnc4ccccc43)n2)c2ccccc21 1772630379 WXAHKLNWKNWUOO-UHFFFAOYSA-N 485.631 8.661 5 1 JKBF O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 774599 YFTAOTUJDUYVNZ-WMZOPIPTSA-N 476.316 5.257 5 1 JKBF CC(C)(c1ccc(O)cc1)c1ccc(OCCCCNc2ccc([N+](=O)[O-])c3nonc23)cc1 28861999 UUNVXERYOQSCPQ-UHFFFAOYSA-N 462.506 5.434 5 1 JKBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148375 RYMJPLLMAJRVNH-ROUUACIJSA-N 451.571 5.447 5 1 JKBF COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627575 DECARAACDNMARZ-UHFFFAOYSA-N 461.318 5.683 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])C(C)(C)OC2(C)C 587746752 LCWGSHOVVAGTAI-FJOKQYDWSA-N 489.385 5.897 5 1 JKBF COc1ccc(Nc2ncnc3c2[C@H](c2cccc([N+](=O)[O-])c2)c2ccc4ccccc4c2O3)cc1 1772576803 TUCVRULRHZSUOE-XMMPIXPASA-N 476.492 6.576 5 1 JKBF O=C1[C@@H](Oc2ccccc2)[C@H](c2ccccc2)N1c1cc2c3ccccc3ccc2c2ccccc12 29251111 YPPPSLAAJRMTOB-ACHIHNKUSA-N 465.552 7.682 5 1 JKBF CCOc1ccc2[nH]c3c(ccc4nc5c6cccnc6c6ncccc6c5nc43)c3nccc1c23 43019236 MOBKWEYMPJOIOK-UHFFFAOYSA-N 466.504 6.461 5 1 JKBF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587034996 RMKPOSVZFZUAPR-AWEZNQCLSA-N 473.352 5.720 5 1 JKBF COc1cc(/C=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(Cl)c1OCC(C)C 587046764 LUZXIMUNWKGHQI-CMDGGOBGSA-N 458.949 6.527 5 1 JKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587072847 YGAGKXGFLOMHGW-XAMKJOQJSA-N 481.177 6.907 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC1 587270303 UYRZRRUYRPHDNE-UHFFFAOYSA-N 497.271 5.272 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 587332303 FYRUSCKRFYTYIO-CVJWPJSTSA-N 492.459 5.803 5 1 JKBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587610619 DADHTHGUZYHQRW-SQHAQQRYSA-N 485.517 6.463 5 1 JKBF CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645042 ILSBFLCSQNEJFD-BHVWNTRMSA-N 474.567 9.003 5 1 JKBF CCCCNC[C@@H](O)COc1cc(OCc2cccc(Cl)c2)c2c(=O)c3ccccc3oc2c1 1772611730 SLUYTGMSMMGWKG-HXUWFJFHSA-N 481.976 5.308 5 1 JKBF COc1cc2c(OCCN3CCCCC3)nc3c4cc5c(cc4ccc3c2cc1OC)OCO5 1857646182 FNGFSFDQDYQDMG-UHFFFAOYSA-N 460.530 5.152 5 1 JKBF CCOC(=O)c1c(-c2ccccc2)n2c3ccccc3c(=O)n2c2ccc(Br)cc12 1911583138 VUJFSXYMDUHKOJ-UHFFFAOYSA-N 461.315 5.312 5 1 JKBF COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)CCC=C(C)C)c1OC 2356531835 NIIDGSKOWSBCBF-UHFFFAOYSA-N 492.612 7.119 5 1 JKBF O=C(O[C@H]1C[N+]2(CCc3cccc(Cl)c3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1 103279977 NANQYNXGFGPELV-SHCORVSCSA-N 455.062 6.262 5 1 JKBF O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cccc([N+](=O)[O-])c6[nH]5)c34)c12 586884566 QZHRIJVINYUCSZ-UHFFFAOYSA-N 459.461 6.810 5 1 JKBF O=[N+]([O-])c1cc(/C=C/c2nc3c(Br)ccc(Br)c3[nH]2)ccc1Cl 587047098 AYQBXOKJQLACGX-QHHAFSJGSA-N 457.509 5.820 5 1 JKBF Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587117902 JVHOVOCIWJOPRD-SNVBAGLBSA-N 476.484 5.799 5 1 JKBF O=C(Oc1ccc2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1cccc([N+](=O)[O-])c1 587513937 VOVIFRANFJMIGL-MHZLTWQESA-N 493.515 6.553 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)N1 587705173 XECYDILJJMTONH-AMXDTQDGSA-N 491.744 6.566 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccco2)(c2cccc([N+](=O)[O-])c2)N1 587747997 RGVDONHZXYMDRD-ZCLKGKGRSA-N 457.299 5.581 5 1 JKBF CCCc1ccc(NC(=O)Nc2ccc(N=c3c4ccccc4[nH]c4cc([N+](=O)[O-])ccc34)cc2)cc1 653771379 IAWRYLMDHHGSKQ-UHFFFAOYSA-N 491.551 7.058 5 1 JKBF COc1cc([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)ccc1OCc1ccc(C)cc1[N+](=O)[O-] 963611334 QWTUZYNWVGMHJD-CRYYWNKWSA-N 478.545 5.132 5 1 JKBF CCC[C@@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 1772588204 WVFXWULPBNOGRJ-GOSISDBHSA-N 458.990 5.935 5 1 JKBF O=C(Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1 96167985 FJGKWJKDCBPTEV-UHFFFAOYSA-N 480.424 5.058 5 1 JKBF CC(C)c1csc(-c2nnc(Sc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2-c2ccccc2)n1 103194135 HYWUTOKJBNRVDE-UHFFFAOYSA-N 491.558 5.624 5 1 JKBF COc1cc2cc(C(=O)[C@@H]3CCC[N@@+](C)(CCOc4ccccc4)CC3)sc2cc1OC 261165407 RUKXDNCEYNEPKG-XHCCPWGMSA-N 454.612 5.427 5 1 JKBF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 586938025 UAZONSGNFDDNKC-QFIPXVFZSA-N 461.612 5.642 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)c(C)c2c1 587620003 NSNPBHGHCZVJPX-UHFFFAOYSA-N 455.467 5.000 5 1 JKBF CCN(CC)CCCN=c1c2ccccc2n(C)c2c1oc1ccc(OCCC[N+](C)(C)C)cc12 1772571781 DPAVQSJHURHPRB-UHFFFAOYSA-N 477.673 5.185 5 1 JKBF Cc1c(I)cnn1[C@H](C)c1nc2c3ccccc3c3ccccc3c2[nH]1 587183438 YPVVGBNJMWLICO-CYBMUJFWSA-N 452.299 5.588 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn12 587574277 DXMQKRFRLYXEEC-CUNXSJBXSA-N 479.448 5.318 5 1 JKBF O=[N+]([O-])c1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1[N+](=O)[O-] 587785030 XOYLPYFOSCJGMH-UHFFFAOYSA-N 480.480 6.216 5 1 JKBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 587863099 QRHFRFKNIXMLSG-UHFFFAOYSA-N 499.449 5.036 5 1 JKBF O=[N+]([O-])c1ccccc1[C@@]1(C(F)(F)F)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962648856 XCWGFFUWHGQGKD-HYBUGGRVSA-N 453.464 5.148 5 1 JKBF COc1cccc2cc3c(nc12)[C@@H](c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1)NCC3 963056113 LBHIHVHICXDCFA-AREMUKBSSA-N 459.477 5.105 5 1 JKBF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587122741 XFIAGPYRKNIFQU-UHFFFAOYSA-N 477.471 6.657 5 1 JKBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)ccc(Br)c2[nH]1 587267176 VCJZQWOLANCDKP-ZETCQYMHSA-N 485.092 5.077 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 587333957 OGFJPGHPCZZOLN-VPUSJEBWSA-N 473.431 5.881 5 1 JKBF Cc1cc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)ccc1[N+](=O)[O-] 587574728 GYTMIBDHAPRSBR-ZEQKJWHPSA-N 473.437 5.484 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)cc(F)c3)c(C)c2c1 587619209 CAXIMFVRAHVLMJ-UHFFFAOYSA-N 473.457 5.139 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 587748584 ABOXUEQBRMITGE-QVQLBTGDSA-N 483.293 5.001 5 1 JKBF CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]2C1 195512974 VXTVSKBDSNWWFW-KLNBIOTMSA-N 471.557 5.909 5 1 JKBF O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1cccc2ccccc12)c1c[nH]c2ccccc12 299825845 KRMXGJBUPVRLTE-SEYXRHQNSA-N 452.470 5.453 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)c(F)ccc4[nH]3)cc2)nc1C(F)(F)F 587119606 ZDOHRCREAUDCSQ-UHFFFAOYSA-N 484.207 5.303 5 1 JKBF CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)c4coc5cc([N+](=O)[O-])ccc45)c3n2)s1 587280111 JLWBUNGWDSODBZ-UHFFFAOYSA-N 486.431 5.924 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)CC2=O 587459134 CAYVOFWTGSBOTM-QHCPKHFHSA-N 453.878 6.405 5 1 JKBF Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587504980 KAOHXICLSGHHEY-MHZLTWQESA-N 461.945 6.653 5 1 JKBF O=C(c1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccc(Cl)cc2)c[nH]1)C(Cl)(Cl)Cl 587644108 MUGPHAXHAZRPFJ-UHFFFAOYSA-N 483.138 6.945 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587779596 UPARQIMEAQKSHQ-YYUOZPCZSA-N 467.338 5.349 5 1 JKBF C[C@@]1(c2cc(Br)c(OC(F)(F)F)c([N+](=O)[O-])c2)c2ccc(F)cc2C[C@H]2CCCN21 963111149 RIVPSARFIFWZJC-AUUYWEPGSA-N 489.263 5.679 5 1 JKBF CC[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963192877 PLPHAHGFNNSHER-YJBOKZPZSA-N 463.239 5.173 5 1 JKBF COc1ccc(CCNc2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82148433 WCJWRSYIHVAMQQ-UUOWRZLLSA-N 489.576 5.024 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(F)c(Br)cc4[nH]3)cc2)nc1C(F)(F)F 587117431 DFESYIZVLXZDDN-UHFFFAOYSA-N 484.207 5.303 5 1 JKBF Cc1ccc(-c2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(Cl)c2)cc1F 587145520 LYILLIJJWXRVIR-UHFFFAOYSA-N 460.690 6.669 5 1 JKBF O=C1C[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 587501146 ANBQMFHIEQMXCN-HSZRJFAPSA-N 474.479 5.959 5 1 JKBF O=[N+]([O-])c1cccc(-n2cc(CNc3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)nn2)c1 1911585260 XWKFAZHJRNIOBY-UHFFFAOYSA-N 499.534 6.065 5 1 JKBF O=[N+]([O-])c1ccc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)cc1 43174853 IERMTZRDHWBUPI-UHFFFAOYSA-N 470.491 6.119 5 1 JKBF O=C(NCCc1cccc(F)c1)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135584 HIQULSTUFPVFDP-UHFFFAOYSA-N 477.540 5.156 5 1 JKBF CCc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)s1 105190617 TYEMZEHCWCUJRH-ACRWPFGISA-N 463.607 6.220 5 1 JKBF Cn1c2ccccc2c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc(-c3ccccc3)c21 299857577 NRKBVORQNNFQDI-UHFFFAOYSA-N 491.551 5.264 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586985179 LAPGAGGPLNOUMA-KRWDZBQOSA-N 480.160 5.181 5 1 JKBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587270537 MMFCUBNIESHCAB-SFHVURJKSA-N 487.413 5.124 5 1 JKBF CCCc1c(O)ccc2c1O[C@](Cc1ccc(C)cc1)(Cc1cc(OC)c(O)c([N+](=O)[O-])c1)CC2=O 587473375 SWTKMGKLETWOHD-MUUNZHRXSA-N 491.540 5.465 5 1 JKBF C[C@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579395 ZIGAEESHZCVRPD-JYFHCDHNSA-N 460.486 5.168 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 587748234 SVDBTRILGWWHJA-FFUDGTDTSA-N 478.318 5.492 5 1 JKBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccccc1OC 4295296 JOUDVMWUERUDBX-PKTZIBPZSA-N 473.957 5.587 5 1 JKBF Cc1nc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163756 RYMVBRWMCWJYOM-UHFFFAOYSA-N 485.422 5.834 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587265346 WVFMMLHADLISHJ-MRXNPFEDSA-N 461.474 5.401 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(C)c1[N+](=O)[O-] 587267802 REMQRHGXNJGQEZ-UHFFFAOYSA-N 462.254 5.040 5 1 JKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)c1 587270430 OVRZAYQPYQCEDV-UHFFFAOYSA-N 474.112 5.725 5 1 JKBF C[C@]1(c2cccc(Br)c2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319718 CUDRNGLKNDKLMU-DENIHFKCSA-N 472.266 5.476 5 1 JKBF CCOC(=O)c1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587512177 LPBDDXBZBLWFPS-NDEPHWFRSA-N 471.509 5.559 5 1 JKBF CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587576532 OXXAKPAIJJRQDM-AQYHOGPUSA-N 479.485 5.437 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)N1 587841405 ATQHFSQTTSWDTK-QKVFXAPYSA-N 477.355 6.005 5 1 JKBF CCCCN(CCCC)CCCn1c(=O)c2c3ccccc3n(C)c2n2nnc(-c3ccccc3)c12 29052432 IRBIDSSCMZPFBK-UHFFFAOYSA-N 484.648 5.495 5 1 JKBF CCCC[N+]1(C[C@H]2c3ccccc3CCN2C(=O)[C@H]2CC(=O)c3ccc(Cl)cc32)CCCC1 209488566 BOXGXKNDLGLNAP-UIOOFZCWSA-N 466.045 5.547 5 1 JKBF O=[N+]([O-])c1ccc(-c2csc3ncnc(N4CCN(c5ccc(Cl)cc5)CC4)c23)cc1 299827022 FMUYCPWNSFXOBP-UHFFFAOYSA-N 451.939 5.247 5 1 JKBF COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587051046 WTJFTVFTNWBQHR-YRNVUSSQSA-N 484.921 5.104 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587264761 SOVZIGLPWJNRQF-SECBINFHSA-N 457.792 5.495 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 587749518 YZDKTVCRVGDVJV-NPMXOYFQSA-N 455.327 5.517 5 1 JKBF O=c1c(-c2cccc3ccccc23)coc2cc3occ(-c4cccc5ccccc45)c(=O)c3c(O)c12 653882111 DBWORZKRFHLEGM-UHFFFAOYSA-N 482.491 7.245 5 1 JKBF O=[N+]([O-])c1ccc(Sc2ccccc2)c([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962637680 OWIDZUYUFDQFGP-SETSBSEESA-N 493.632 6.582 5 1 JKBF O=[N+]([O-])c1ccc(OCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 199359464 FMAIEEVTJXMTCU-UHFFFAOYSA-N 480.992 5.665 5 3 JKBF O=C(NCCc1ccccc1F)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2483053 VKVPBIZQDZVBET-UHFFFAOYSA-N 483.858 5.821 5 1 JKBF CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CC)C(CC)=C4C)c(CC)c3C 13308611 ILDKPZQVQBGQPE-UHFFFAOYSA-N 478.684 8.738 5 1 JKBF CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)cc5C)C(CC)=C4C)c(CC)c3C 13434151 WYTMEGCKRDQYEC-UHFFFAOYSA-N 450.630 8.175 5 1 JKBF C=COCCCCCCCCCCCCCCCCO[P@@](=O)(O)OCC[N+]1(C)CCCCC1 26578222 NBYZMFOLSZPRFW-UHFFFAOYSA-O 490.686 7.372 5 1 JKBF COc1cc(-c2c3c4ccccc4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)ccc1O 28520625 ZOOXSAMQLOCIMP-UHFFFAOYSA-N 453.450 5.448 5 1 JKBF C[C@@H](N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 40565951 GKSORJDHTIZSDG-PBXQCXKZSA-N 479.602 5.202 5 1 JKBF O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccnc1Nc1ccc(Cl)cc1Cl 73197991 AKEWTUBMOJPGTN-UHFFFAOYSA-N 460.302 5.902 5 1 JKBF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c3cccnc3c3ncccc3c2[nH]1 586937964 SPZFPVDSZRLGFB-LJQANCHMSA-N 491.642 5.049 5 1 JKBF COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3c2)cc1 587050477 QWZIGISAKSZZTI-QDEBKDIKSA-N 484.921 5.104 5 1 JKBF Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587117721 IPXYCMNFACDEFS-VIFPVBQESA-N 477.472 5.194 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)N1 587705572 YQYGPWHHJKQALG-AMXDTQDGSA-N 491.744 6.566 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 587753728 WNMYBOXFQXIWIK-YEBMWUKDSA-N 496.336 5.651 5 1 JKBF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O[C@@H](C)c1ccc([N+](=O)[O-])s1 1772632831 LQAPWCTYUMGHLK-ZDUSSCGKSA-N 473.503 5.062 5 1 JKBF O=[N+]([O-])c1ccc(CSc2ncnc3c2nc(NC2CCCCC2)n3Cc2ccccc2)cc1 13607503 PLYPKCRJRCIEJM-UHFFFAOYSA-N 474.590 5.820 5 1 JKBF O=[N+]([O-])c1ncn(CCCN(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)cc2)n1 73196889 VJOQCICRCCURSU-UHFFFAOYSA-N 487.404 5.316 5 1 JKBF Cc1nc2c3ccccc3ccc2c2nc3c(ccc4ccccc43)c(-c3ccccc3S)c12 103299568 YOVHMPZNZCYVMT-UHFFFAOYSA-N 452.582 8.507 5 1 JKBF N[C@@H](N=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 587037094 DNXUKZQEEJLPRC-IBGZPJMESA-N 462.516 5.623 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1Sc1nc2ccccc2s1 587039678 ZYUZISOLILLDFC-UHFFFAOYSA-N 474.449 5.659 5 1 JKBF COc1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587142960 IBFMELIDVGJOOG-UHFFFAOYSA-N 486.253 5.414 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1nc3ccccc3c3ccccc13)(c1ccc(N(C)C)cc1)O2 587387420 PRQDRFVYHCMOFJ-JGCGQSQUSA-N 487.603 6.448 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)N1 587748303 UHKSNOHSXAALRA-JBEBIEQOSA-N 495.352 5.393 5 1 JKBF CCOC(=O)c1ccc([C@@]2(c3cccc([N+](=O)[O-])c3)c3cccc(Br)c3CCN2C)cc1 963289084 JFKKCROJNFLZEC-RUZDIDTESA-N 495.373 5.314 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@@H](c1sccc1C)CC(=O)N3 1857642958 UAIYRYXZMGMSIN-SFHVURJKSA-N 463.555 5.871 5 1 JKBF CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCc1cccc(C(F)(F)F)c1 2483905 XNDUZFCNMJSZRZ-UHFFFAOYSA-N 481.858 6.150 5 1 JKBF C[N+](C)(C)c1ccc(CC(=O)OCCCCCCn2ccc3cc(OCc4ccccc4)ccc32)cc1 13524874 LEBUKWLNEQVCIZ-UHFFFAOYSA-N 499.675 6.763 5 1 JKBF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135823 LRKGZOFBNMWCGC-ROUUACIJSA-N 493.995 5.478 5 1 JKBF O[C@H](C[C@@H]1CCCCN1)c1cc2ccc(Br)cc2c2cc(Br)ccc12 169339446 SMBARBYJPSQMOX-HRAATJIYSA-N 463.213 6.084 5 1 JKBF CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@H]2C1 299816869 VXTVSKBDSNWWFW-IGFILHTKSA-N 471.557 5.909 5 1 JKBF Cc1ncsc1CCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587028025 MSMCQDVUJDKJIC-UHFFFAOYSA-N 497.532 5.395 5 1 JKBF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(O)c1 587240202 GWGDKKSPEQUTMN-UHFFFAOYSA-N 459.509 5.522 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c(oc5ccccc54)c(NCCc4ccccc4)c3c2)cc1 1857759950 WHYCFWPZSAIZFO-VAWYXSNFSA-N 486.640 8.681 5 1 JKBF CCc1c(C)c2cc3nc(cc4cc(C)c(cc5nc(cc1[nH]2)C(CCC(=O)O)=C5C)[nH]4)C(C)=C3 13407667 RUXYHJDBFODHCV-UHFFFAOYSA-N 466.585 6.850 5 1 JKBF COc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82221493 TVAZUKQCTUKZJK-UHFFFAOYSA-N 483.553 5.992 5 1 JKBF O=C1CCC[C@@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC1 586884756 IRTPKSSSEUKXCG-CQSZACIVSA-N 482.492 5.462 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(C)c1[N+](=O)[O-] 587264146 CEUPHBZMAUEDAX-UHFFFAOYSA-N 484.354 5.549 5 1 JKBF COc1cc2c3c(c1)O[C@H](c1ccc(Sc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587421372 KHLQHUBBJKIKKV-GAJHUEQPSA-N 487.455 6.262 5 1 JKBF Cc1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 587747486 OFCCBFRSDNGBHG-LFVRLGFBSA-N 471.326 6.221 5 1 JKBF COc1cccc(OCc2ccc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)cc2)c1 587780525 BWXKRMLNHFVBFO-UHFFFAOYSA-N 454.280 5.488 5 1 JKBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(Sc3ccccc3)cc(Cl)cn12 1857570706 BQTVKGSPNBVUGH-UHFFFAOYSA-N 459.936 5.021 5 1 JKBF Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CCC3)cc1 13808546 PODLDCSLTYPEOD-UHFFFAOYSA-O 465.661 7.151 5 1 JKBF CCCCN(CCCC)CC[C@@H](C)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 40862042 LKVNURKRVGJJRU-GOSISDBHSA-N 498.460 9.714 5 1 JKBF Oc1ccccc1-c1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c2cccc(Cl)c2n1 587082651 UDLVCNALXPQAJB-UHFFFAOYSA-N 471.947 8.111 5 1 JKBF O=[N+]([O-])c1cncc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 587113148 YLEIMTYBSINMRZ-UHFFFAOYSA-N 452.314 6.238 5 1 JKBF C[C@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339589 UNTCVGDSSPVDFV-AHKZPQOWSA-N 476.504 5.704 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C)Oc2ccc3c(c2)oc(=O)c2ccccc23)N1 587840395 IVIWHQWOMMOEFE-OXWSONJVSA-N 496.376 6.065 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)N1 587847248 SWQAKVGEANMYEJ-QKVFXAPYSA-N 477.355 6.005 5 1 JKBF COc1cc(-c2ccc([N+](=O)[O-])cc2)ccc1O[C@H](C)Cn1cc(-c2ccc(C(F)(F)F)cc2)nn1 1857583189 MQGWISRMZYEZFV-MRXNPFEDSA-N 498.461 6.015 5 1 JKBF O=[N+]([O-])c1ccc(-c2cc3c(=Nc4ccc(Cl)c(C(F)(F)F)c4)nc[nH]c3s2)cc1 1857648771 MBIBOICZAZBKBQ-UHFFFAOYSA-N 450.829 6.104 5 1 JKBF O=C(c1c2ccccc2nc2c1[nH]c1ccccc12)c1c2ccccc2nc2c1[nH]c1ccccc12 13411359 BOMINIHNGZWSLU-UHFFFAOYSA-N 462.512 7.283 5 1 JKBF biogenic Cc1ccc([N+](=O)[O-])c(CO[C@]2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)c1 35064377 ALSIMOQTEVUCJZ-GDLZYMKVSA-N 464.521 5.977 5 1 JKBF CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc([N+](=O)[O-])cc1 82150138 BERUQQMQFOWQTK-UHFFFAOYSA-N 453.587 5.042 5 1 JKBF Cc1onc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587078704 ACTBZVWESMQYET-UHFFFAOYSA-N 494.739 5.370 5 1 JKBF Cc1c(Br)ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 587117697 FVABEKIINYXWFX-UHFFFAOYSA-N 480.244 5.473 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 587578691 WUOXVMJGXVFAPA-IGKIAQTJSA-N 453.450 5.400 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc([N+](=O)[O-])cc2)nc2sccn12 587616738 GHKYIXMTYAXVRC-NTKDMRAZSA-N 485.477 5.380 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 587749517 YZDKTVCRVGDVJV-IQMFZBJNSA-N 455.327 5.517 5 1 JKBF O=C1c2ccccc2[C@](OCc2ccc(Cl)c([N+](=O)[O-])c2)(c2ccccc2)N1Cc1ccccc1 35064351 SJJJFHYCBPENCS-MUUNZHRXSA-N 484.939 6.322 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82148761 AATBBCKSQWVNRN-UHFFFAOYSA-N 459.550 5.013 5 1 JKBF O=c1c(N2CCC(c3ccccc3)CC2)cc2nc(-c3ccccc3)nn3c4ccccc4c1c23 95576037 ZHIVDJYGRCAAGY-UHFFFAOYSA-N 456.549 5.885 5 1 JKBF Nc1nccc(-c2cn(Cc3c4ccccc4cc4ccccc34)c3ccc(Br)cc23)n1 103297235 IICCUHFJFZAACP-UHFFFAOYSA-N 479.381 6.798 5 1 JKBF Cc1cc2c(Br)ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2o1 587002495 ADRRSIAGOCGNTF-UHFFFAOYSA-N 451.074 5.718 5 1 JKBF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587018959 RWEBVGIPPZQRQG-UHFFFAOYSA-N 490.419 7.416 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c1)CC2=O 587471781 UYCVAWZPEJGQRL-DEOSSOPVSA-N 463.486 5.547 5 1 JKBF Cc1ccc([C@@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513436 SIDBCIQDODAQML-SSEXGKCCSA-N 493.563 5.936 5 1 JKBF Cn1cccc1CN1CCc2sccc2[C@H]1c1ccc(-c2cccc(C(=O)O)c2)cc1[N+](=O)[O-] 962370751 DWXYUZCNRQJTHF-RUZDIDTESA-N 473.554 5.508 5 1 JKBF COc1ccc2c(c1OC)[C@@](C[C@H]1CCC[C@@H](C(=O)O)C1)(c1ccc([N+](=O)[O-])cc1)N(C)[C@@H](C)C2 962629830 QBEGOTWGUJOFBU-LLARTLIRSA-N 482.577 5.013 5 1 JKBF CCN(CC)CCn1[nH]c2c3cc(OCc4ccccc4)ccc3nc3c([N+](=O)[O-])ccc1c32 27105607 MDZPIMPDFJVUJX-UHFFFAOYSA-N 457.534 5.500 5 1 JKBF O=C(NCCC1=CCCCC1)c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 82081665 FTYDIOUNEDDVQH-UHFFFAOYSA-N 490.585 5.269 5 1 JKBF COc1cc2oc3cc(O)c(OC)c(CCC(C)(C)OC)c3c(=O)c2c2c1CCC(C)(C)O2 85945545 QYIMPIIBWWEZSX-UHFFFAOYSA-N 456.535 5.130 5 1 JKBF COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c([N+](=O)[O-])cc(C(C)C)cc12 473110125 VDYZRHWQZRSAJS-UHFFFAOYSA-N 461.537 6.646 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586968406 DCCOYXSFDJVJKO-UHFFFAOYSA-N 474.302 6.668 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587040554 HYXVUWHHYKYIPT-UHFFFAOYSA-N 452.355 5.291 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc([N+](=O)[O-])c1 587135584 INIUDCHRDPGDID-UHFFFAOYSA-N 494.242 7.034 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 587140516 BRISPAWIRBUSAU-UHFFFAOYSA-N 476.302 6.471 5 1 JKBF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1cccc2[N+](=O)[O-] 587337578 BKCYOOAAHPWYBV-CUBQBAPOSA-N 481.435 5.287 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)N1 587842454 FFHQHXSTLDQPFR-JEOXALJRSA-N 475.343 5.061 5 1 JKBF COc1cc(C(=O)c2cn(-c3ccc(F)cc3)cc2-c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 1857590888 YMOJRYASWJQYOA-UHFFFAOYSA-N 476.460 5.448 5 1 JKBF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@H]1/C=C/c1ccc([N+](=O)[O-])cc1 26577408 OWMDBOMMOFHCBR-RYDISJSYSA-N 462.502 5.479 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 82174539 DDWWNKSTTCKDKR-UHFFFAOYSA-N 473.558 5.841 5 1 JKBF Cc1ccc(C2=NN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)[C@H](c3ccc(F)cc3)C2)s1 299871777 ZFRAGHJBHNMMTF-NRFANRHFSA-N 464.547 6.583 5 1 JKBF Brc1ccc(-c2ccc(/C=C\c3nc4c5ccccc5c5ccccc5c4[nH]3)o2)cc1 586999121 VZUVOZOPQKXZEK-PEZBUJJGSA-N 465.350 8.062 5 1 JKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)c1 587269873 IEYLKYIPARZKEH-UHFFFAOYSA-N 452.314 6.238 5 1 JKBF COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OCC(=O)c1ccc(F)cc1 1857538542 QQDDRUOJKGZGKB-UHFFFAOYSA-N 482.487 5.128 5 1 JKBF C[C@H]1CN(c2cc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CCN1CC1CCCCC1 1857600615 WBRFHGGTVWWRQD-AWEZNQCLSA-N 469.529 5.279 5 1 JKBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4215134 CYBUCROSQSLBQM-XXEARWCOSA-N 485.512 5.354 5 1 JKBF Cc1cc(C)cc(-c2c(OCC[C@H]3CCCCCN3)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 26577397 GZWHNYKBUBPTSV-GOSISDBHSA-N 469.969 5.675 5 1 JKBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1CCC[C@H]3N1Cc1ccccc1 27550529 STORFWAPAZBRBZ-PSWAGMNNSA-N 496.570 6.483 5 1 JKBF CC(C)CN(C)c1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2cccc([N+](=O)[O-])c2)n1 82134304 KQJNFJVQKJOYGX-UHFFFAOYSA-N 487.482 5.093 5 1 JKBF CC1(C)CC2=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(O)c3[C@@H](c3ccncc3)C2=C(O)C1 104111482 PLYDYNUQWSBCGS-IBGZPJMESA-N 489.557 5.628 5 1 JKBF CCOC(=O)c1c(C(=O)Nc2ccc(F)cc2)nn(-c2cccc([N+](=O)[O-])c2)c1-c1ccccc1 169312894 DLOTZCCFQYZSPW-UHFFFAOYSA-N 474.448 5.016 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc3c(c2[nH]1)CCCC3 586949523 XUTTVMVEJHIMOL-UHFFFAOYSA-N 462.531 5.126 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c12 587021511 OKAPSTPUDHLDGI-UHFFFAOYSA-N 493.346 6.163 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3ccc(C)c([N+](=O)[O-])c3)c(Cl)c1)O2 587376275 RHUCUIIKIQGBBG-RUZDIDTESA-N 466.921 5.907 5 1 JKBF CCCc1c(O)ccc2c1O[C@](C)(Cc1c([N+](=O)[O-])ccc(OCc3ccccc3)c1F)CC2=O 587465653 GVXRHQXJVUEDJB-HHHXNRCGSA-N 479.504 5.938 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Br)cc2[N+](=O)[O-])N1 587681368 SHAMHAKCMGHGOV-XTZNXHDOSA-N 472.152 5.251 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587727992 DZMXHSLCYYSQST-IPQOISQHSA-N 491.357 6.410 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 587731177 KREILHLNEIWINF-AMXDTQDGSA-N 491.357 6.410 5 1 JKBF O=[N+]([O-])c1ccc(-n2cc(CO[C@@H](c3cccs3)c3cc4ccccc4nc3Cl)nn2)cc1 1857553445 ZBJKXJLWUYHFQF-JOCHJYFZSA-N 477.933 5.745 5 1 JKBF CC1(C)C=Cc2cc(CN(Cc3ccccc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2O1 72182096 BPJGTDCQTHKLEG-UHFFFAOYSA-N 464.543 5.170 5 1 JKBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148606 IZPSAUAJBWUHND-QZTJIDSGSA-N 493.995 5.968 5 1 JKBF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2cccc([N+](=O)[O-])c2)N=C14 96927870 WPXPLTHHZFOEIY-STWQJQAKSA-N 493.648 6.363 5 1 JKBF COc1ccc2c(=O)c3cc(C(=O)N[C@@H](c4ccccc4)[C@H](O)c4ccccc4)ccc3oc2c1 103228870 LHAHDFIWRHSHGQ-RRPNLBNLSA-N 465.505 5.160 5 1 JKBF CCCN(CCC)C[C@@H](O)c1cc2ccc(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 169337750 GASHAIUTBVWCNV-HXUWFJFHSA-N 458.351 7.474 5 1 JKBF O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3c4ccccc4c4ccccc4c3[nH]2)CC1 586955022 ROYGPILUXUSEEG-UHFFFAOYSA-N 491.616 6.591 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586968756 JCISYJOXUQLKGD-UHFFFAOYSA-N 490.301 6.547 5 1 JKBF CCCCCOc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1Br 587270769 SXKOMSFGGNEKAT-UHFFFAOYSA-N 481.350 6.532 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccnc3)c(C(C)C)c2c1 587620843 HWSWSYNOQRNQIF-UHFFFAOYSA-N 466.519 5.071 5 1 JKBF CCN(CC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3Cl)c(=O)c3ccccc23)c(O)c1 587665439 NFNGNIFPIJCRHT-UHFFFAOYSA-N 464.909 5.166 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1 587750937 KPTYJSGIAKPPTB-PSLXWICFSA-N 471.326 5.699 5 1 JKBF O=c1cc(-c2ccccc2)oc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)ccc12 1911584823 POQDEQXUQQWITL-UHFFFAOYSA-N 490.415 5.188 5 1 JKBF COc1cccc(CN(C)CCCCCCCOc2ccc3c(=O)c4ccccc4oc3c2)c1 28642197 BNLAZRSQWDVIQK-UHFFFAOYSA-N 459.586 6.416 5 1 JKBF O=C(Nc1ccccc1I)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 87328082 GJKXGVMYTMTRPS-UHFFFAOYSA-N 476.295 5.603 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587053099 AXOGZWBUROPWRD-MRXNPFEDSA-N 475.254 5.924 5 1 JKBF CC(C)(C)c1ccc(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])cc1 587511265 OJPHVELYOMLOHR-MHZLTWQESA-N 471.553 7.270 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1 587750620 JERLJCDNMXGQDY-FATZIPQQSA-N 471.326 5.699 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 587753662 WDWNUFXLSBHXSJ-LFVRLGFBSA-N 471.326 6.086 5 1 JKBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(-c3ccc(C(F)(F)F)cc3)cc(Cl)cn12 1857654721 NJJDWIIIVFWOEQ-UHFFFAOYSA-N 495.866 5.556 5 1 JKBF CC(=O)C[C@H](O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[C@H](O)CC1(C)C 2356738290 IMAVGDVEEYAALY-CDZUIXILSA-N 490.728 7.834 5 1 JKBF Cc1ccc(CN(C)CCOc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)cc1 13603154 FOSQCAJBNHPMCK-UHFFFAOYSA-N 491.591 5.753 5 1 JKBF O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 40429919 YRUJXFVYNYWIHD-LJQANCHMSA-N 494.536 5.431 5 1 JKBF O=C(Nc1ccc(Cl)cc1)Nc1nc(Nc2ccc(C(=O)O)cc2)c2cc([N+](=O)[O-])ccc2n1 71318309 YEFGNRGAMKTEPH-UHFFFAOYSA-N 478.852 5.277 5 1 JKBF O=c1c2c3c(sc2nc(/C=C/c2ccccc2)n1-c1nc2cc([N+](=O)[O-])ccc2s1)CCCC3 96922948 DCTAAHSDZHKIRB-JLHYYAGUSA-N 486.578 6.014 5 1 JKBF CCN(CC)c1ccc2nc3c4ccccc4/c(=N\c4ncc(Cl)cc4Cl)cc-3oc2c1 102892540 BITYTJGPAXWCGP-OFWBYEQRSA-N 463.368 6.866 5 1 JKBF COc1cccc(-c2cc(-c3cc4c(ccc5ccccc54)oc3=O)nc(Cc3ccc(F)cc3)n2)c1 473136255 OTJYYEPDARIPAU-UHFFFAOYSA-N 488.518 6.809 5 1 JKBF O=C(O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509790 XINZRRFZOJDMLX-AREMUKBSSA-N 477.900 5.734 5 1 JKBF CC(C)(C)[C@@H]1CCc2c(sc3nc(SCc4ccc(C(=O)O)cc4[N+](=O)[O-])nc(N)c23)C1 1857634920 SBQVYSJPXGZKLV-CYBMUJFWSA-N 472.592 5.323 5 1 JKBF CCN(CC)C(=O)c1ccc([C@H]2CC(=O)N(Cc3ccccc3[N+](=O)[O-])c3ccccc3S2)cc1 1857648817 ZHRYZASFWFOYKH-RUZDIDTESA-N 489.597 5.847 5 1 JKBF CC[C@H](C)CCCCC[C@H](C(=O)OC)[C@@H](O)c1cccc2nc3c(C(=O)OC)cccc3nc12 2356644974 ZDFPHWFJRDWIPF-SZUKKWSHSA-N 466.578 5.389 5 1 JKBF Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@H]2NCCC[C@@H]2C)c1 29473379 OZZBVNMMCKQURU-OXJNMPFZSA-N 469.969 5.943 5 1 JKBF CCCN(CCC)C[C@H](O)c1cc2cc(Br)ccc2c2cc(Br)ccc12 169337962 QLNYJDZODATQGW-QFIPXVFZSA-N 479.256 6.673 5 1 JKBF CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1 195490787 DZQLBFSYEPOYJZ-XNUORRLQSA-N 471.557 5.909 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Br)cc2[N+](=O)[O-])N1 587675617 AMDLMNVBCSDABJ-YPMLDQLKSA-N 472.152 5.251 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587727955 DZMXHSLCYYSQST-AMXDTQDGSA-N 491.357 6.410 5 1 JKBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587847594 UQPBKJMLFIACJV-PSLXWICFSA-N 487.394 6.580 5 1 JKBF COC(=O)c1cc2ccccc2n1CCCCCCCOC(=O)Cc1ccc([N+](C)(C)C)cc1 13524915 RNIQEPISGSXLFB-UHFFFAOYSA-N 465.614 5.361 5 1 JKBF COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCCCC[N+](C)(C)C)C2 14947226 YJBQVJTYPHTADY-MIUCGUHXSA-N 471.706 5.048 5 1 JKBF COc1cc2c(cc1CCC(C)(C)O)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 29125903 PVTIFRYLGDRUSS-UHFFFAOYSA-N 477.517 5.292 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)N1 587703719 ZIKDFFYWCHUHGP-YTEVENLXSA-N 491.744 6.566 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)N1 587743708 BFYGQHWXPYSSNM-SHACYNPGSA-N 495.352 5.393 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])N1 587749156 XOZATMZFDXWYCW-VERVWZFWSA-N 485.309 5.485 5 1 JKBF O=[N+]([O-])c1ccc(Sc2ccccc2)c([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c1 962637679 OWIDZUYUFDQFGP-RNAHPLFWSA-N 493.632 6.582 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](c1ccccc1)C1=C(COC1=O)N3 1772575019 KIUXXANMANZXGK-VWLOTQADSA-N 483.520 5.396 5 1 JKBF CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174208 RHYQUQSQMCEDOY-VGSWGCGISA-N 463.582 6.739 5 1 JKBF O=[N+]([O-])c1ccc(-c2csc(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)n2)cc1 98084893 RDTNJVZEVNENDL-QFIPXVFZSA-N 462.481 6.352 5 1 JKBF CCCN(CCC)CC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169337989 WUKNBUUYGSINNQ-QHCPKHFHSA-N 471.485 7.576 5 1 JKBF CC(C)COc1cc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1 299850605 BZZIHOXLFRPPPC-UHFFFAOYSA-N 464.474 5.159 5 1 JKBF Cc1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587061164 KWQWFMIXRYNPMX-UHFFFAOYSA-N 487.994 7.600 5 1 JKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587069171 CVVBRGWWSIWXAP-FOLFXRSESA-N 457.404 8.542 5 1 JKBF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c5ccccc5c5ccccc5c4[nH]3)nc2n1 587114836 JPKKOJGSKMOZMZ-UHFFFAOYSA-N 491.542 7.335 5 1 JKBF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccc3c(oc(=O)c4ccccc43)c1C)CC2=O 587485739 JTYDRHSXQWNLPZ-JWRCQZCYSA-N 472.537 6.104 5 1 JKBF COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OCc4ccc([N+](=O)[O-])cc4)c3c[n+]1CCC2 1857565749 JJSPWTOGAFGDCI-UHFFFAOYSA-N 487.532 5.254 5 1 JKBF O=[N+]([O-])c1cc(CSc2nnc(C3CCCCC3)n2Cc2ccccc2)cc([N+](=O)[O-])c1 1857611277 GZPYESAIDKFZDN-UHFFFAOYSA-N 453.524 5.483 5 1 JKBF COc1ccc(CCNc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82134914 TWFUJDFFAILASB-KOSHJBKYSA-N 489.576 5.024 5 1 JKBF 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)C(=O)O 95635722 AWXQRWPOQLJGPZ-MTXADBHRSA-N 498.751 10.276 5 1 JKBF in-vitro O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 587332310 FYRUSCKRFYTYIO-NZJKTDFXSA-N 492.459 5.803 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccc([N+](=O)[O-])cc3)c1)CC2=O 587471515 SJRUBGMQGOFORB-RUZDIDTESA-N 463.486 5.547 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 587573430 BUYBTWAQJMXQMF-IGKIAQTJSA-N 469.449 5.582 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccccc1[N+](=O)[O-] 587574686 GJNIXDRQZROPOB-JYFHCDHNSA-N 455.422 5.796 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 587751477 MWVYLNFXLUDURT-WHEQGISXSA-N 457.299 5.912 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)N1 587856382 MIYRDOAUHYQRRL-WYRIXSBYSA-N 487.354 5.496 5 1 JKBF Cc1ccc(-c2c(Br)c(=O)c3cc([N+](=O)[O-])ccc3n2[C@H](C)c2ccccc2)cc1 1772657507 PSVUMGIEAAGKDB-MRXNPFEDSA-N 463.331 6.257 5 1 JKBF COc1cc(C(=O)c2cn(-c3ccc(C)cc3)cc2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 1857590971 NTUNJZNIKMCZFO-UHFFFAOYSA-N 472.497 5.618 5 1 JKBF CC[C@@H]1CCC[C@@H](CCOc2c(-c3cc(C)cc(C)c3)c(O)nc3cc(Cl)c([N+](=O)[O-])cc23)N1 29481191 VJGBHCMLQBBRMD-MOPGFXCFSA-N 483.996 6.475 5 1 JKBF COc1ccc(CCNc2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82134925 TWFUJDFFAILASB-MHECFPHRSA-N 489.576 5.024 5 1 JKBF Cc1ccccc1-c1cc(-c2cc3c(ccc4ccccc43)oc2=O)nc(Cc2ccc(F)cc2)n1 473135979 MEODDPAEXZUMRA-UHFFFAOYSA-N 472.519 7.109 5 1 JKBF COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1ccc4c(oc(=O)c5ccccc54)c1C)[C@@H](C2)C3=O 587450779 GHZDGPKHNPLWOQ-DRNQYWASSA-N 456.494 5.237 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o1)CC2=O 587463198 WKVDMFGXWZAYEQ-QFIPXVFZSA-N 457.866 5.785 5 1 JKBF COC(=O)c1ccc(Oc2ccc([C@H]3c4c(ccc(OC)c4OC)C[C@H](C)N3C)cc2[N+](=O)[O-])cc1 962620336 GXMCUKZXOURBQX-LMKMVOKYSA-N 492.528 5.157 5 1 JKBF O=[N+]([O-])c1ccc([C@@]2(c3ccccc3)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1 962628219 ADYYZZXZIFPKKO-DGPALRBDSA-N 461.565 5.634 5 1 JKBF O=[N+]([O-])c1cc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(F)cc1Br 962958883 PPOPRNLCLJCVCR-GOSISDBHSA-N 489.263 5.256 5 1 JKBF COc1ccc(Cn2c(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 1857598730 WWVKRYLREAGMIL-UHFFFAOYSA-N 477.502 5.111 5 1 JKBF O=C(O)[C@H](Cc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1Cl 1491955 KVWJBZIAQJUWOO-NRFANRHFSA-N 473.312 5.240 5 1 JKBF O=[N+]([O-])c1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 13494213 DRORTRSPMCSAOG-UHFFFAOYSA-N 466.528 6.281 5 1 JKBF Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1[N+](=O)[O-] 13679570 PCVCLOUEFLONHJ-UHFFFAOYSA-N 474.348 5.193 5 1 JKBF C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118933875 XOFUBFKYDOPJSX-ZDGPFEGVSA-N 480.649 5.582 5 1 JKBF C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3O)cc2)c1)c1ccc([N+](=O)[O-])cc1 198565148 WTBLWBYNCLCFQH-FQEVSTJZSA-N 491.547 6.461 5 1 JKBF CCCn1cnc2cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc(Br)c21 587002612 BSFRRDATXJVWFE-UHFFFAOYSA-N 455.359 7.059 5 1 JKBF Cc1cc(Br)cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 587035377 POZFNSPGIVAZJZ-UHFFFAOYSA-N 497.399 6.970 5 1 JKBF Cc1ccc2c3c(cc(-c4ccc(OCc5ccccc5)c([N+](=O)[O-])c4)nc13)-c1ccccc1C2=O 587096556 CVWJQGRCLPUMQJ-UHFFFAOYSA-N 472.500 6.909 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c1)O2 587375674 NTSXFXZLKUZQRM-JOCHJYFZSA-N 473.312 6.078 5 1 JKBF Cc1[nH]c2cc(Cl)c(F)cc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587631419 LSBYQIMPXZLKCN-DHIUTWEWSA-N 478.863 5.727 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 587752684 SXZSGTOWVQDQPD-AFXFOQOHSA-N 467.338 5.988 5 1 JKBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1 587862603 FEBWQZDAPSQQCD-UHFFFAOYSA-N 497.429 5.753 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 587068816 ZOKYNYKHPLLFRH-UHFFFAOYSA-N 484.697 6.000 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc([N+](=O)[O-])c1 587137055 QUOTYBWTOMYBES-UHFFFAOYSA-N 480.524 7.529 5 1 JKBF CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587576540 OXXAKPAIJJRQDM-WDJDUZKASA-N 479.485 5.437 5 1 JKBF COc1cc(C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)c([N+](=O)[O-])cc1OC 653708458 JTOUAULFWPNXQN-FQEVSTJZSA-N 458.308 5.318 5 1 JKBF Cc1ccc(S(=O)(=O)Nc2ccc(N=c3c4ccccc4[nH]c4ccc(C)cc34)cc2)cc1 653768349 HSUFAVMAYZXGBV-UHFFFAOYSA-N 453.567 5.971 5 1 JKBF COc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2C)cs1 8672351 IKFYVRANIDGVCD-UHFFFAOYSA-N 467.532 5.488 5 3 JKBF O=C(CCN1CCCCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCCCC4)cc3nc2c1 3875056 LOWHFCSBBFGECH-UHFFFAOYSA-N 487.648 5.017 5 1 JKBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccccc1N 4080524 IGZVWFOAFIPLSE-FGZHOGPDSA-N 458.946 5.161 5 1 JKBF Cc1cnc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163839 PMECHZLJOYUUJS-UHFFFAOYSA-N 455.396 5.646 5 1 JKBF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587002371 ZDHYPEOQUZCUGP-HNNXBMFYSA-N 457.335 5.146 5 1 JKBF CC(C)n1c(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc(Br)c1Br 587005434 WAUXFFDNIWGEMF-UHFFFAOYSA-N 462.529 5.699 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587048660 XYXWGAGGDJKNFF-UHFFFAOYSA-N 463.118 6.874 5 1 JKBF COC(=O)c1ccc(Oc2ccc3nc(CN(C)c4cc(C)c(F)cc4[N+](=O)[O-])[nH]c3c2)cc1 587136917 LCHUHXYSNCTGBF-UHFFFAOYSA-N 464.453 5.134 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2N(C)c2cc3c(=O)c4ccccc4n(C)c3cc21 587397904 CJPFLOFIGKTFGN-HKBQPEDESA-N 487.559 5.573 5 1 JKBF COc1ccc(OC[C@@H]2c3ccc(OC(C)C)cc3CCN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 1772606492 KIFSPOKMPUJXCG-AREMUKBSSA-N 476.529 5.209 5 1 JKBF O=C1c2ccccc2[C@](OCc2cccc([N+](=O)[O-])c2)(c2ccccc2)N1Cc1ccccc1 35064146 AQYYZVUSEBYJAC-MUUNZHRXSA-N 450.494 5.669 5 1 JKBF CCN(CC)C(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3sc3cc(N(C)C)ccc23)s1 40429360 IEHCCHHZTBYCQB-UHFFFAOYSA-N 464.680 5.314 5 1 JKBF COc1ccccc1CCNC(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135946 NDGJIIBBDFDNGY-UHFFFAOYSA-N 489.576 5.025 5 1 JKBF Cc1cc(C)c(-n2c(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])nc3cnccc32)c(C)c1 84742167 KYCXBKFSGZHWQQ-UHFFFAOYSA-N 461.547 5.293 5 1 JKBF O[C@H](C[C@H]1CCCCN1)c1cc2ccc(Br)cc2c2cc(C(F)(F)F)ccc12 169338980 HWEWFDDMPFBCKK-IIBYNOLFSA-N 452.314 6.340 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 586915674 PYKOPBOKKWLXIK-UHFFFAOYSA-N 454.236 5.002 5 1 JKBF COC(=O)c1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c(F)c1Nc1ccccc1 587047340 GVHFAIAIABLOPP-CSKARUKUSA-N 466.856 5.964 5 1 JKBF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 587270940 XPMNCSHVHDSJCP-UHFFFAOYSA-N 472.398 5.667 5 1 JKBF COc1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 587745642 IBPOWRYEZJTBQQ-ZLOXQWCVSA-N 487.325 5.921 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 587749263 DEDSGYPRBHIRMS-YEBMWUKDSA-N 496.336 5.651 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 587752687 SXZSGTOWVQDQPD-URUSLNKFSA-N 467.338 5.988 5 1 JKBF Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 963018468 OCDZAAUQMYOIEL-VWNXMTODSA-N 489.915 5.279 5 1 JKBF COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NC2CCCC2)c([N+](=O)[O-])cc1OC 774542 NMPYPZGFWPBHLX-UHFFFAOYSA-N 471.897 5.260 5 1 JKBF O=C(NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 45167973 HPVQZVFBRYZMIM-UHFFFAOYSA-N 499.615 5.726 5 1 JKBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 82159897 CZCJZNXJVQOMJR-UHFFFAOYSA-N 481.556 5.715 5 1 JKBF CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc([N+](=O)[O-])ccc6[nH]5)cc4)nc(O)c23)C1 587038157 MAKIKHSSPFHOOB-CYBMUJFWSA-N 471.542 6.030 5 1 JKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 587269420 NKANZUQBFQGRQD-UHFFFAOYSA-N 466.133 5.263 5 1 JKBF CCOc1ccc(-c2nn(-c3ccc(Cl)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC 587670019 XVDXOJIBFYESEZ-UHFFFAOYSA-N 465.893 5.412 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 587717938 LVZCUMPUDBBSBL-XMHCIUCPSA-N 459.290 5.462 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)N1 587748150 VDFZCSUIFYZWRI-DMZKTXOQSA-N 487.325 5.405 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cccc3ccc4ccc5cccc2c5c4c13 587825245 BSWWBPBJYXCMDL-OAHLLOKOSA-N 468.369 7.187 5 1 JKBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587944111 BKIRPFHZSMXYFC-QGZVFWFLSA-N 466.513 5.209 5 1 JKBF CS(=O)(=O)c1ccc(-c2[nH]c3cc(Cl)ccc3c2[C@@H](C[N+](=O)[O-])c2cccs2)cc1 1857611713 UFPUQCFZHNMRLY-KRWDZBQOSA-N 460.964 5.362 5 1 JKBF COc1cc2c(OCCCN3CCCCC3)nc3c4cc5c(cc4ccc3c2cc1OC)OCO5 1857641060 JPFNYCOYMSRZES-UHFFFAOYSA-N 474.557 5.542 5 1 JKBF COc1cc2cc(-c3ccc(CN(C)Cc4ccc([N+](=O)[O-])cc4)cc3)c(=O)oc2cc1OC 28710687 LVQGJNIUNMKESA-UHFFFAOYSA-N 460.486 5.017 5 1 JKBF Cc1ccc(OCc2ccccc2)c(C(=O)O[C@H](C)c2cccc3nc4c(C(=O)O)cccc4nc23)c1 29466176 COBSTMKMPXHMAZ-LJQANCHMSA-N 492.531 6.287 5 1 JKBF COC(=O)[C@]12Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N1[C@@H]1c3ccccc3OC[C@@H]1C2 73197679 COBDBIOWGLCXPR-CMQCACGMSA-N 495.535 5.089 5 1 JKBF Cc1c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980052 OCCSFOBAESZZIQ-UHFFFAOYSA-N 479.050 5.990 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccccc1[N+](=O)[O-] 587574687 GJNIXDRQZROPOB-OZXSUGGESA-N 455.422 5.796 5 1 JKBF O=[N+]([O-])c1ccc(COc2cc3c(cc2OCc2ccc([N+](=O)[O-])cc2)OC2(C=C3)CCCC2)cc1 1772604397 XCCARPQGLLUUOZ-UHFFFAOYSA-N 488.496 6.379 5 1 JKBF CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ncccc23)c(OC)c1 6023702 LKJFVFWEWADOET-UHFFFAOYSA-N 464.591 5.857 5 1 JKBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135419 GGFDJXFJPOPPBO-MOPGFXCFSA-N 459.550 5.315 5 1 JKBF COc1cc2cc(C(=O)[C@H]3CCC[N@@+](C)(Cc4ccc([N+](=O)[O-])o4)CC3)sc2cc1OC 253778897 KFZOWBNTEIELDM-ODCWNRFASA-N 459.544 5.049 5 1 JKBF Cc1c(C(=O)Nc2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)cccc1[N+](=O)[O-] 587104708 HTXQPMDKHUSETI-UHFFFAOYSA-N 485.499 6.582 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc([N+](=O)[O-])c1 587136185 WTACXAAOUOCOGW-UHFFFAOYSA-N 471.242 5.923 5 1 JKBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](c2cccc(F)c2)(c2cccc([N+](=O)[O-])c2)N1 963165006 BGOAOLSWYJOCGN-GCJKJVERSA-N 494.828 5.297 5 1 JKBF Cc1cc(Cl)c([N+](=O)[O-])c(C)c1OCCCCCCCCCCN1C(=O)c2ccccc2C1=O 58582656 UGLVUWWYNWYYMS-UHFFFAOYSA-N 486.996 6.661 5 1 JKBF Cc1n([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)cc[n+]1Cc1ccc([N+](=O)[O-])cc1 96915799 LAJADKLJZRPHCP-PMERELPUSA-N 474.540 6.578 5 1 JKBF O=C(CSCc1nc2c3cccnc3c3ncccc3c2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114196 QIABJOXBIYCMFM-UHFFFAOYSA-N 467.476 5.550 5 1 JKBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1 587512105 KYOMDTDIXBJTHO-VWLOTQADSA-N 459.498 5.768 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1SCc1ccccc1 587612931 LMWDVWLUFBNQDU-SQHAQQRYSA-N 485.517 6.296 5 1 JKBF C=CC(=O)Nc1ccc(-n2c(=O)ccc3oc4ccc(-c5cccc([N+](=O)[O-])c5)cc4c32)cc1 1857650875 CSVJHBDSKZIUQD-UHFFFAOYSA-N 451.438 5.437 5 1 JKBF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc5nc6ccccc6nc5cc4[nH]3)c(=O)oc2c1C 586918287 NSJKEPQIXHLAMM-UHFFFAOYSA-N 490.563 6.318 5 1 JKBF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1OC 587056057 GXJMYHQPJATBIF-UHFFFAOYSA-N 452.854 5.061 5 1 JKBF O=C(O)c1ccc(-c2cc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)ccc2F)cc1F 587138314 GYWWUXKFDDUUAE-UHFFFAOYSA-N 474.217 5.544 5 1 JKBF CCCc1c(O)ccc2c1O[C@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1Cl)CC2=O 587462003 MIJAOTVPSOQZOQ-DEOSSOPVSA-N 452.894 5.398 5 1 JKBF O=[N+]([O-])c1ccc([C@@]2(Cc3nc4ccccc4[nH]3)c3ccsc3CCN2Cc2ccco2)cc1 962704185 JESNMZBJZQBAGS-SANMLTNESA-N 470.554 5.670 5 1 JKBF CN1CCc2c(Br)cccc2[C@@H]1c1cc([N+](=O)[O-])ccc1Sc1ccccc1 963280105 MIUWSYMJHNSKTD-JOCHJYFZSA-N 455.377 6.086 5 1 JKBF CC(C)=CCc1c(O)cc(O)c2c(=O)c3c4c(c(O)c(CC=C(C)C)c3oc12)OC(C)(C)C=C4 14639351 ULNUYAVUZADCRJ-UHFFFAOYSA-N 462.542 6.265 5 1 JKBF biogenic FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587091608 MNLADTMJPMIAJL-UHFFFAOYSA-N 463.341 5.681 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])N1 587749446 YCBPEUYFYVEZET-VERVWZFWSA-N 485.309 5.485 5 1 JKBF Cc1ccc(CCC[N+]23CCC(CC2)[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C3)cc1 1857620057 DEFCMXPRFHURNR-IIIFQBMYSA-N 470.633 5.016 5 1 JKBF O=C(NCc1ccccc1F)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2483063 SLABINHLFMBBDE-UHFFFAOYSA-N 469.831 5.778 5 1 JKBF CC(C)CC(=O)c1c(Nc2cccc(Cl)c2Cl)nc2c(Cl)ccc([N+](=O)[O-])c2c1O 84604840 QIAIIRPXVWGLQN-UHFFFAOYSA-N 468.724 6.781 5 1 JKBF CC(C)c1cc2c(cc1[N+](=O)[O-])[C@@]1(C)CCC[C@@](C)(CNC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]1CC2 299837936 SVJLMLNUEZAYJH-DOEKTCAHSA-N 479.577 6.067 5 1 JKBF COC(=O)c1cccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 587036955 BSMNGBHJHOTELR-UHFFFAOYSA-N 462.512 5.686 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3ccc(Cl)cc3)c2c1 587618768 UQGHNHPOSSYXDP-UHFFFAOYSA-N 485.949 5.438 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)N1 587842068 CZGOOCUCBXPHKJ-XMHCIUCPSA-N 479.415 6.545 5 1 JKBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587843160 HEXTTWDSHLSUOV-PSLXWICFSA-N 487.394 6.580 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1[C@@H]1c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963011271 FXFKUESMSZLSRS-ISKFKSNPSA-N 489.915 5.279 5 1 JKBF COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(OC)c3C[N@@+]1(Cc1ccccc1)CCC2 1857589871 FMFKCGXYGXCHJU-RNAHPLFWSA-N 460.594 5.482 5 1 JKBF Cc1ncc([N+](=O)[O-])n1CCOc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 1857614175 ZHPRIJOLBQSSBM-UHFFFAOYSA-N 484.943 6.714 5 1 JKBF CC(=O)c1ccc2c(c1)c(-c1ccc(OCCN3CCCCC3)cc1)cc1cc(O)cc(C)c12 13494067 LYTYCEUQORRRRH-UHFFFAOYSA-N 453.582 6.741 5 1 JKBF CCCCC(CCCC)CCCCCCOC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC 13602629 GSDOXSAJXYAHMM-XMMPIXPASA-O 482.663 5.805 5 1 JKBF CN(CCCCCCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1ccccc1Cl 28642372 NJRCNEPTYFJBHQ-UHFFFAOYSA-N 464.005 7.061 5 1 JKBF CC(C)CCn1c(Sc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccccc1Cl 45227793 SPOAFXRYBDYMAY-UHFFFAOYSA-N 470.904 6.723 5 1 JKBF NC(=O)CCNc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1 72119641 QJFVSTHBXDYJOM-UHFFFAOYSA-N 474.486 6.152 5 1 JKBF COc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 72179036 KAIPUKWGKWACRM-DEOSSOPVSA-N 490.972 6.736 5 1 JKBF COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587362767 NBOIKEUIWRZGTJ-PXLXIMEGSA-N 480.476 6.278 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccccc1[N+](=O)[O-] 587574688 GJNIXDRQZROPOB-ZEQKJWHPSA-N 455.422 5.796 5 1 JKBF O=[N+]([O-])c1ccccc1OCc1ccc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)o1 962642623 UUUBXHQVXVDFQD-RNWIMVQKSA-N 481.552 5.603 5 1 JKBF O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])c(N2CCNCC2)cc1Cl 95583293 NDUWRXUTSVKPNT-UHFFFAOYSA-N 493.976 5.187 5 1 JKBF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587147769 ZNLPAGCRTVQRSW-UHFFFAOYSA-N 486.253 5.414 5 1 JKBF Cc1c(O[C@H](C)[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c1oc(=O)c1ccccc12 587534295 YTCHAFLRVCYVEF-JJCDCTGGSA-N 468.549 6.325 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1SCc1ccco1 587615524 XXAPBTPSBQBALD-DHLKQENFSA-N 475.478 5.889 5 1 JKBF CCC[C@H](CC1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781186 FLNHQBWAILCYML-GOSISDBHSA-N 453.514 5.972 5 1 JKBF O=[N+]([O-])c1ccc([C@]2(c3ccc(Cl)s3)NC3(CC3)Cc3ccc(Br)cc32)cc1 961615554 PLXWFGRPENWLIK-NRFANRHFSA-N 475.795 6.042 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc([C@@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN43)cc2)cc1 962637259 KVVCQBRIHFXMEU-PDDLMNHVSA-N 477.564 6.223 5 1 JKBF CC(=O)Oc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(OC(C)=O)c3n2)cc1[N+](=O)[O-] 1857618456 HSAKIYGREXFXHK-HWKANZROSA-N 461.257 5.471 5 1 JKBF C[C@H](CCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)Oc1ccc([N+](=O)[O-])cc1Cl 198906892 BFVRBGOJIQJIHP-OAQYLSRUSA-N 495.019 6.054 5 3 JKBF O=C(C[C@H]1c2ccccc2N=C(N2CCCCC2)N1c1ccccc1)NCc1ccc([N+](=O)[O-])cc1 13976393 CQNTZXAVQPAATO-SANMLTNESA-N 483.572 5.336 5 1 JKBF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82134781 YUCGSYJCTRSECJ-ZRLCIXSHSA-N 491.636 5.335 5 1 JKBF C[C@@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C 82147921 DCDLAGQJLOXJRD-GFHCSAFJSA-N 477.609 5.597 5 1 JKBF Cc1ccc(CNc2ncc(C(=O)N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 105175193 ZNMBCKCGUHVRHS-VONVNUAUSA-N 489.576 5.366 5 1 JKBF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587189973 FNFCKODQIREUQL-MRXNPFEDSA-N 461.316 5.190 5 1 JKBF CCCC[C@@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199499 KCFNKATZTKHFMG-SANMLTNESA-N 484.556 6.583 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1Sc1cc(OC)ccc1OC)CC2=O 587490474 GLKOSXDNNYNOQC-QHCPKHFHSA-N 495.553 6.128 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 587748237 SVDBTRILGWWHJA-PKQAIAMASA-N 478.318 5.492 5 1 JKBF O=C(NCCc1ccc(F)cc1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2478326 KUJBAQVRFQVWFJ-UHFFFAOYSA-N 483.858 5.821 5 1 JKBF COc1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](C)Oc2ccc(C(F)(F)F)cc2)cc1 45188617 FXEDHMYLCFNGMT-HNNXBMFYSA-N 474.435 5.487 5 1 JKBF O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 96914477 ZHHCIUINTIWRKO-UHFFFAOYSA-N 482.521 5.673 5 1 JKBF O=S(=O)(Nc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(F)cc1 587170986 WPAMHYKKJVALKQ-UHFFFAOYSA-N 469.501 5.266 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1 587719819 LUFMOQUGFDBWGM-XTZNXHDOSA-N 477.252 5.387 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 587753769 WRAKAHISCABUAG-LFVRLGFBSA-N 471.326 6.086 5 1 JKBF CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cccc(Br)c1[N+](=O)[O-] 587937390 QRKJCNLEKQPOIS-UHFFFAOYSA-N 483.359 5.679 5 1 JKBF O=C(O)CCCCCCCCCCCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587956645 IWCIACFTWWGTQK-UHFFFAOYSA-N 454.365 6.152 5 1 JKBF CC(C)(c1ccc([N+](=O)[O-])cc1)[C@@]1(C)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963416030 MMGQHZVWEWWBGI-PWUYWRBVSA-N 497.551 5.421 5 1 JKBF COc1cc2c(=Nc3cccc(C)c3)c([N+](=O)[O-])c[nH]c2cc1OCCCN(C)Cc1ccccc1 1857543414 XHHNEZLAMQQWKG-UHFFFAOYSA-N 486.572 5.526 5 1 JKBF COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CCN4CCCCC4)ccc32)cc(OC)c1 64511932 ZWGBNUUTZNJELK-UHFFFAOYSA-N 499.611 5.035 5 1 JKBF Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C(F)(F)F)cc4)c-3c/c2=N\C(C)C)cn1 95580229 GUGHDACMFPGVCB-IWBSIUBASA-N 487.529 6.905 5 1 JKBF CC1=C(C(=O)OC2CCCC2)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(O)CC(C)(C)CC2=N1 103993459 GFVVCLHVRHSQPZ-JOCHJYFZSA-N 468.506 5.254 5 1 JKBF C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C 105176801 SCNVGYZCBUQNPT-VZVVXEKASA-N 463.582 5.161 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587262685 HKHVASWPJPHPIE-HNNXBMFYSA-N 463.515 5.974 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 587577580 SXFBMUAFFWJRIP-OZXSUGGESA-N 456.454 5.439 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)N1 587697899 URKHUYANASAAER-YBTHPKLGSA-N 464.722 5.564 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)N1 587752275 QJZDPSIDBDXXCV-GTJPDFRWSA-N 461.287 5.292 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)N1 587843581 IWXZPQZTLAGJCS-WHEQGISXSA-N 473.367 6.271 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c(oc5ccccc54)c(NCCC[C@H]4C=NC=N4)c3c2)cc1 1857641666 AJUIKVPWMIVELV-UVIRAJKCSA-N 490.632 7.700 5 1 JKBF COc1cc(C(=O)n2c3ccc(Br)cc3c3nc4ccccc4nc32)cc(OC)c1OC 1860786 OTMRFEOAUMEFSY-UHFFFAOYSA-N 492.329 5.215 5 1 JKBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135115 AUMBQIADWCOEDG-OALUTQOASA-N 465.598 5.695 5 1 JKBF CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@@H]2C1 254142531 DZQLBFSYEPOYJZ-FYTVBWQSSA-N 471.557 5.909 5 1 JKBF O=[N+]([O-])c1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2nc3ccccc3[nH]2)cc1 587622700 FNJXRZOHRQGKOR-UHFFFAOYSA-N 473.290 5.925 5 1 JKBF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(F)(F)F 587711439 KFGSTEWRHQNADZ-LZVRBXCZSA-N 493.251 5.070 5 1 JKBF Cc1nc2c(-c3ccc(Br)cc3)nc3ccccc3c2c(=O)n1-c1cccc(Cl)c1 28646059 VFKFQPUYRZEGRI-UHFFFAOYSA-N 476.761 6.325 5 1 JKBF N#CNc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 98084534 WYAFBJUEEHGEJB-UHFFFAOYSA-N 470.673 5.226 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1c(C)c(-c2ccc(C)cc2C)nc2c1ccc1ccccc12 169337639 ROBVCIRTGHGRHR-LJAQVGFWSA-N 468.685 7.916 5 1 JKBF COc1cc(Br)c([C@@H](N)c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1OC 586976033 SAIMALZNGHXIGE-OAQYLSRUSA-N 462.347 5.697 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587054508 LKMSIQRJDAVHNZ-QFIPXVFZSA-N 474.908 5.348 5 1 JKBF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587086311 FIAAQRKUXTWMLH-SREVYHEPSA-N 473.276 5.410 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587094988 LMPUOTWFHYOJBD-UHFFFAOYSA-N 454.124 5.938 5 1 JKBF FC(F)(F)c1nn(CCc2nc3c4ccccc4c4ccccc4c3[nH]2)c(C2CC2)c1Cl 587117839 WYMCJNADFUKZAD-UHFFFAOYSA-N 454.883 6.858 5 1 JKBF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 587265088 MESBBRNASBXZPA-UHFFFAOYSA-N 492.413 6.669 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC1 587269272 JZDBHXNDKTZXCH-UHFFFAOYSA-N 497.271 5.272 5 1 JKBF CN(C)C(=O)c1ccc2c(c1)[C@@]1(NCC2)c2ccccc2CC[C@@H]1c1cc(Cl)c([N+](=O)[O-])cc1F 962933194 SIJDJRNELBUZSF-JIPXPUAJSA-N 493.966 5.208 5 1 JKBF COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@@H]2NCCc3c(Cl)cc(Cl)cc32)c1 963105437 JIHIONZXDHIUBF-HSZRJFAPSA-N 491.396 6.305 5 1 JKBF O=[N+]([O-])c1ccc2oc(C3=Nc4ccccc4S[C@H](c4cccc5ccccc45)C3)cc2c1 1857751672 VINDCPAZBVLOEA-MHZLTWQESA-N 450.519 7.852 5 1 JKBF Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(NC3CCCCCCC3)c([N+](=O)[O-])c2)c1 15937543 HQYNJCALTXCWKZ-QHCPKHFHSA-N 466.582 5.083 5 3 JKBF O=[N+]([O-])c1cccc(-c2nc(N3CCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 82163590 GZSAPQVPWXVBMI-UHFFFAOYSA-N 498.395 6.749 5 1 JKBF O=C(Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1[N+](=O)[O-] 96167984 UIFBRAGMAJYJNS-UHFFFAOYSA-N 480.424 5.058 5 1 JKBF Clc1ccc(-n2cc(CN3CCN(c4nc5ccccc5c5ccccc45)CC3)nn2)cc1Cl 103247823 GVKUTKVPXLKYNE-UHFFFAOYSA-N 489.410 5.598 5 1 JKBF Cc1ccc2oc(=O)c(C(c3cccc([N+](=O)[O-])c3)c3c(O)c4cc(C)ccc4oc3=O)c(O)c2c1 169341258 XHYNIHUDFUHOCX-UHFFFAOYSA-N 485.448 5.016 5 1 JKBF CCC(O)(CC)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1c4ccccc4cc4ccccc14)[C@@H]23 299838545 VBYVMCXELDLVRG-SXUFRNKASA-N 498.755 7.389 5 1 JKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587110114 SKQFXDWNPJMVHR-UHFFFAOYSA-N 484.150 5.742 5 1 JKBF O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 587333021 HEWPRHGLMVQVJN-XTEPFMGCSA-N 469.468 5.937 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1)CC2=O 587494093 WCNDSXQKYSDQPN-HSZRJFAPSA-N 483.973 6.905 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2F)N1 587728842 TZLGKZXJSXSCJF-AMXDTQDGSA-N 474.305 5.044 5 1 JKBF CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587743516 AVJWPUYUXWDRIP-MZFXBISCSA-N 481.362 5.554 5 1 JKBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587747483 OBUUQWUHZKAWLY-WIUDPPPLSA-N 461.287 5.389 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc([C@@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)co2)cc1 962643975 QSJTYTWLZOVTTF-OZXSUGGESA-N 452.514 5.086 5 1 JKBF CC(C)(C)[C@]1(COc2ccccc2[N+](=O)[O-])NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962953498 IYBWSWMIICRNBM-XMMPIXPASA-N 478.511 5.585 5 1 JKBF COc1ccc(Nc2ncnc3c2[C@H](c2ccc([N+](=O)[O-])cc2)c2ccc4ccccc4c2O3)cc1 1772579128 ALLCUPMBQWBPNT-XMMPIXPASA-N 476.492 6.576 5 1 JKBF CCCCOC(=O)c1ccccc1-c1c2cc(C)/c(=N\CC)cc-2oc2cc(NCC)c(C)cc12 1857549547 CFVPKYWDAGVZOW-FSRJSHLRSA-N 470.613 7.131 5 1 JKBF COc1c(O)cc2oc3cc(O)c(CC=C(C)CCC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)CO 2356754824 NYNDEBFRZFBLCF-UHFFFAOYSA-N 494.584 5.788 5 1 JKBF CC[N+](CC)(CC)CCOCCCCCCCCCCCCOCC[N+](CC)(CC)CC 28865236 QDLLMDMEYUIAAS-UHFFFAOYSA-N 458.816 6.674 5 1 JKBF CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 82195910 SVSDXZSUSVGZIJ-KXBFYZLASA-N 465.019 5.673 5 1 JKBF O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 587340202 XBYAVPRAVFZQIC-XNMGPUDCSA-N 473.431 5.881 5 1 JKBF COc1cc(/C=C\c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C 587045930 JWJGOQXVLFFGOE-PLNGDYQASA-N 480.746 6.101 5 1 JKBF CCCCCOc1cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2cc1Br 587271220 ASHHPLKBBVVNMP-UHFFFAOYSA-N 496.361 7.262 5 1 JKBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccc(C)c([N+](=O)[O-])c3)c(Cl)c1)CC2=O 587462121 MVEZURZLUJOBBB-MHZLTWQESA-N 495.959 6.674 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc13)CC2=O 587469838 GXUJDMQQKPAFQU-SANMLTNESA-N 456.498 5.962 5 1 JKBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587578754 XJWCDLPBYSJJKW-WIOPSUGQSA-N 459.410 5.272 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2[N+](=O)[O-])N1 587677143 GVZYTGJJXQXEQX-XLFHBGCDSA-N 458.125 5.057 5 1 JKBF CC1(C)C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857578842 KULVNDJBEFJUCD-UHFFFAOYSA-N 461.318 5.384 5 1 JKBF COc1cc2cc(C(=O)[C@@H]3CC[N+](C)(Cc4ccccc4)CC[C@H]3OC)sc2cc1OC 36286891 RANOFWRVYDDHPM-NLDIKOHWSA-N 454.612 5.173 5 1 JKBF COc1ccc2c(c1)c(NCCCNC(=O)Nc1ccccc1)c1c3ccccc3nc-1n2C 103071296 IFUMEMTWYQZICJ-UHFFFAOYSA-N 453.546 5.464 5 1 JKBF Cc1cc(C)c(Oc2ccc([N+](=O)[O-])c(NC3CCN(Cc4ccc(C(N)=O)cc4)CC3)c2)c(C)c1 103230428 SADOKNRKCCDPML-UHFFFAOYSA-N 488.588 5.488 5 1 JKBF O=C(O)c1ccc2oc3ccc(OC[C@@H](O)CSc4ccc(Cl)c(Cl)c4)cc3c(=O)c2c1 169321929 KOMLDWTUTYVHPO-CYBMUJFWSA-N 491.348 5.483 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c12 587020995 GYZGWSLENDFNMO-UHFFFAOYSA-N 493.346 6.163 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587071903 UUSTXRJUQMQTCN-RMKNXTFCSA-N 484.737 6.636 5 1 JKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587110288 YMHPAWQCRCSUAJ-UHFFFAOYSA-N 468.151 5.862 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)cc2)nc1C(F)(F)F 587119591 YMVQUDRRZMTPFV-UHFFFAOYSA-N 457.199 5.104 5 1 JKBF CC(C)(C)OC(=O)NCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(C2CC2)n1 587231838 GEVLABLCYYZIQV-UHFFFAOYSA-N 466.545 5.623 5 1 JKBF COc1cccc(-c2cc(-c3ccc(Br)c([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 587360831 QBKLKSURGDSECB-UHFFFAOYSA-N 475.298 6.994 5 1 JKBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccc([N+](=O)[O-])cc2)=C(C)Oc2cc(O)ccc21 587470121 IHZVEZGLATXFJJ-HHHXNRCGSA-N 473.481 5.643 5 1 JKBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587610610 DADHTHGUZYHQRW-IGKIAQTJSA-N 485.517 6.463 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 587846137 GQJGHFDTVRSCID-XUSGNXJCSA-N 461.356 6.023 5 1 JKBF Oc1c(Cl)cc(Br)c2nc3cc(Br)c(Br)cc3nc12 653895031 SGRHLEXOHDINLS-UHFFFAOYSA-N 467.342 5.430 5 1 JKBF O=[N+]([O-])c1ccccc1[C@@]1(C(F)(F)F)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962648851 XCWGFFUWHGQGKD-GBXCKJPGSA-N 453.464 5.148 5 1 JKBF CN(C)C(=O)c1ccc2c(c1)[C@@]1(NCC2)c2ccccc2CC[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1 962925453 NACHTODIJURJCO-WXVAWEFUSA-N 475.976 5.069 5 1 JKBF CCOc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCCC2)cc([N+](=O)[O-])c1O 15277246 VOMODTHEIPPDSY-QHCPKHFHSA-N 484.549 5.773 5 1 JKBF O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CNc2cc([N+](=O)[O-])ccc2C(=O)O)cc1 27100866 HMZYRLHWICHTKH-UHFFFAOYSA-N 460.273 5.464 5 1 JKBF in-vivo Cc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82135829 LTWDVUDPCNYFQU-PMACEKPBSA-N 473.577 5.133 5 1 JKBF Cn1c2nc3ccccc3c-2c(NCCCNC(=O)Nc2ccccc2)c2cc(C(F)(F)F)ccc21 103076064 SVIVNAXXLCYMRN-UHFFFAOYSA-N 491.517 6.474 5 1 JKBF O=[N+]([O-])c1cc2c(cc1[C@@H]1Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C31)OCO2 104003289 OCBMHFGUCZLDLK-DXPJPUQTSA-N 455.470 5.953 5 1 JKBF C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3)cc2)c1)c1ccc([N+](=O)[O-])cc1 198564689 FDXWDGFINZRXNC-NRFANRHFSA-N 475.548 6.756 5 1 JKBF COc1c(OC(C)=O)cc2c(=O)c3c(OC(C)=O)c4c(cc3oc2c1CC=C(C)C)OC(C)(C)C=C4 238763422 ZDNCAASANXRDKQ-UHFFFAOYSA-N 492.524 5.498 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587050237 GKSMHAIULHKNTF-UHFFFAOYSA-N 453.079 6.467 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N1 587698371 PWQBTTDRBJBZEH-WVDJIFEKSA-N 465.706 6.033 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587730419 FTVJOGOZCDBOII-WHEQGISXSA-N 459.290 5.462 5 1 JKBF CCCCNC[C@@H](O)COc1cc(OCCc2ccc(Cl)cc2)c2c(=O)c3ccccc3oc2c1 1772571348 BNLMTUJOBKZNNF-OAQYLSRUSA-N 496.003 5.351 5 1 JKBF O=C(NCCN1CCCC1)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccc(Br)cc12 1857553288 FSOMWIUOVOPZPL-UHFFFAOYSA-N 475.390 5.544 5 1 JKBF COc1cc2c(cc1CC=C(C)C)C(=O)C[C@@H](c1ccc(Oc3cccc([N+](=O)[O-])c3)cc1)O2 1857633342 SIZLDHKJDYWGGR-SANMLTNESA-N 459.498 6.611 5 1 JKBF COc1cc(/C=C2/S[C@@H](c3ccccc3)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OC 1860882 NZVKIFPBOUWGEQ-MLJBDGAYSA-N 478.526 5.440 5 1 JKBF CCCCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 12496880 KRXOUZZWQXTUIB-USXYRBMLSA-O 474.706 6.781 5 1 JKBF endogenous,in-man CC(C)(C)OC(=O)C[C@](C)(O)C[C@@H](O)CSc1nc2c3ccccc3c3ccccc3c2[nH]1 27441156 SJVNCXHIUZEQPS-AKJBCIBTSA-N 466.603 5.195 5 1 JKBF O[C@H]1c2cc3ccc([nH]3)c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c(n2)[C@H]1O)C=C4)[nH]3 40434707 MFHYGFIVJZPMFC-AJQTZOPKSA-N 496.570 6.586 5 1 JKBF CC[C@@]1(c2ccc(CSc3ccc([N+](=O)[O-])cc3)cc2)Oc2ccccc2-n2cccc2C1=O 66111615 GJLKHJWAVKDJLU-MHZLTWQESA-N 470.550 6.558 5 1 JKBF CCCCn1c(=O)c2cc(OC)ccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)c3c(c21)OCO3 71329031 ASGVPLYYNNLNHE-UHFFFAOYSA-N 491.384 5.004 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82148700 VSQICBLZALMTAF-UHFFFAOYSA-N 487.604 6.015 5 1 JKBF COc1oc([C@@H]2C[C@@]3(CO2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@]2(C)C=C(C)C=C(C)[C@@H]32)c(C)c(=O)c1C 83922617 DXCYJJKWPZZHNZ-SQIAJRMJSA-N 477.557 5.947 5 1 JKBF in-vitro COc1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143566 JCQRQGSVSGGPGF-UHFFFAOYSA-N 462.480 7.049 5 1 JKBF C[C@@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547394 LHDVLFAIECZRJC-KNQAVFIVSA-N 459.376 5.282 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 587717301 FSBUPDNKJRMIQZ-VGDKGRGNSA-N 462.088 5.022 5 1 JKBF Cc1ccc(CNC(=O)c2nc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)cc1 1772644539 UATUJLNJCBJVIX-UHFFFAOYSA-N 455.348 5.143 5 1 JKBF O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 3976442 FWPIWVUMKDFZSR-JOMKWTIYSA-N 463.623 5.579 5 1 JKBF CN(CCCCCCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1cccc(Cl)c1 28640395 QWWJOLBHYPHYJX-UHFFFAOYSA-N 464.005 7.061 5 1 JKBF CCCCCc1nc(-c2cnc(NCc3ccccc3F)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163823 KPHPXTADNRXFMP-UHFFFAOYSA-N 475.524 6.499 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2ccc(Cl)cc2c2cc(C(F)(F)F)ccc12 169339004 SZCZHQOUBGWWQF-DEOSSOPVSA-N 451.960 7.601 5 1 JKBF COc1cc2cc(C(=O)C[C@@H]3CCCC[N@@+](C)(Cc4ccccc4)CC3)sc2cc1OC 261137711 MKTGQOMRSQXJEL-PIIWDFAUSA-N 452.640 6.328 5 1 JKBF COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587051043 WTJFTVFTNWBQHR-XFFZJAGNSA-N 484.921 5.104 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc([N+](=O)[O-])c1 587135879 RABYARYEUQEJDH-UHFFFAOYSA-N 454.299 6.632 5 1 JKBF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587189284 AZDCGBBCPDCWPN-QGZVFWFLSA-N 461.316 5.190 5 1 JKBF CC(C)COc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1Br 587269041 IGTNQGQWRMGWNQ-UHFFFAOYSA-N 459.344 5.536 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)[C@H]1c1ccc(F)cc1 587340885 IGZVEEGNQTWATI-AZGAKELHSA-N 458.445 5.585 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)N1 587696612 QBALAUPPFCJDIS-DMZKTXOQSA-N 475.745 5.976 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(F)cc2[N+](=O)[O-])N1 587720502 RXHSHZXPOCXGPJ-HYORBCNSSA-N 462.088 5.022 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587958172 BGPPMWIYVXABOD-WWMAXSSBSA-N 492.620 8.234 5 1 JKBF COc1cccc2cc3c(nc12)[C@](CCCC1OCC(C)(C)CO1)(c1ccc([N+](=O)[O-])cc1)NCC3 963051345 DNQSITKSPMULCK-NDEPHWFRSA-N 491.588 5.110 5 1 JKBF Nc1cc[n+](Cc2ccc3ccc4ccc(C[n+]5ccc(N)c6ccccc65)cc4c3c2)c2ccccc12 13604529 CFHLJLPLEIYIHZ-UHFFFAOYSA-P 492.626 6.135 5 1 JKBF C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc([N+](=O)[O-])cc1 13812786 OQFIYDJFNCLREY-UHFFFAOYSA-N 455.003 6.518 5 1 JKBF Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@H]2NCCC[C@H]2C)c1 29473374 OZZBVNMMCKQURU-OXQOHEQNSA-N 469.969 5.943 5 1 JKBF Cc1cnc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163760 CYWBPVKKKIALOR-UHFFFAOYSA-N 471.395 5.526 5 1 JKBF COc1cc(/C=C/c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C 587045671 BFWCXDZXKBHOAI-QPJJXVBHSA-N 480.746 6.101 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 587091851 PZRVVIBMUQVXKH-UHFFFAOYSA-N 485.138 5.256 5 1 JKBF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Cc2ccccc2[N+](=O)[O-])CC3)c1 587362693 JNNVBQZUNGSQMS-LJQANCHMSA-N 450.494 6.837 5 1 JKBF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(C)ccc1[N+](=O)[O-] 587512606 ZRFURPBKSVDYBM-AREMUKBSSA-N 473.525 6.076 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 587545025 GAGSXBDAEGKPLZ-RCZVLFRGSA-N 493.855 5.829 5 1 JKBF Cc1ccc([C@]2(c3ccc(Cl)c([N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587546473 QZDRRUJEFFVUGH-SHQCIBLASA-N 487.895 6.168 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)N1 587691325 ARXQCUJYEDXTBO-BIBXISHDSA-N 464.722 5.564 5 1 JKBF Cc1ccc([C@]2(c3ccc(Cl)c([N+](=O)[O-])c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587697987 XSEUIIHEDRQLAH-LFVRLGFBSA-N 489.772 6.284 5 1 JKBF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3cc([N+](=O)[O-])ccc3SCc3ccco3)N12 962661772 ICYBASTUNKGWFJ-JYFHCDHNSA-N 489.553 5.216 5 1 JKBF Cc1c(C(=O)Nc2cccc([C@]3(C)N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c2)cccc1[N+](=O)[O-] 962769560 SEJWVSXOAILCCR-OFVILXPXSA-N 497.473 5.065 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c(oc5ccccc54)c(NCCN4CCCCC4)c3c2)cc1 1857644338 JHLYWVQAMLSFQT-MDZDMXLPSA-N 493.676 7.924 5 1 JKBF O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Br)c1ccc([N+](=O)[O-])cc1 13704419 GFWHHPKVTZVFDX-UHFFFAOYSA-N 463.291 5.462 5 1 JKBF COc1cc(O)cc2ccc3c(-c4c(O)cc(OC)c5c4ccc4cccc(O)c45)ccc(O)c3c12 15274413 DDBFZEMERBDKII-UHFFFAOYSA-N 478.500 6.806 5 1 JKBF biogenic CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174719 FOTXLJQDQZDDRF-OAHLLOKOSA-N 461.547 6.061 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(OCc3ccccc3)c2[nH]1 587056848 VCAYZKBUBSKTOP-JOCHJYFZSA-N 478.936 5.831 5 1 JKBF COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)CCC=C(C)C 2356541221 GVDDDYKLKUMEGV-UHFFFAOYSA-N 478.585 6.816 5 1 JKBF CC(C)=CCC/C(C)=C/Cn1c2cc3c(-c4ccccc4)c(=O)oc3cc2nc2c(C(=O)O)cccc21 3784421 KRDKFSFTOURVBO-HMMYKYKNSA-N 492.575 7.354 5 1 JKBF O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccc3[N+](=O)[O-])ccc12 14946801 RXEQUABMAQECLT-UHFFFAOYSA-N 496.544 6.635 5 1 JKBF CC(C)(C)OC(=O)N1CCC(N(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)CC1 84709783 VJALLRWRAIRMTL-UHFFFAOYSA-N 466.003 5.711 5 1 JKBF Clc1cccc(COc2ccc(/C=C/c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2)c1 587072187 XGHGBORAVHVULM-JLHYYAGUSA-N 462.940 7.062 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 587323363 JUSBYALJCKMGGT-GGAORHGYSA-N 484.277 5.403 5 1 JKBF C[C@@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603775 RPELXIFTFBGJPG-IZEXYCQBSA-N 456.497 7.167 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 587847880 MIWRBBFDEMINHJ-QKVFXAPYSA-N 461.356 6.023 5 1 JKBF COc1ccc2[nH]c3cc([N+](=O)[O-])ccc3c(=Nc3ccc(NC(=O)Nc4ccccc4)cc3)c2c1 653776563 NQHKUKQBQFPXMW-UHFFFAOYSA-N 479.496 6.114 5 1 JKBF CC(=O)Oc1ccccc1[C@@]1(c2cccc([N+](=O)[O-])c2)NCCc2cc(-c3ccccc3)ccc21 962658198 CFQQKNINFAYCDR-LJAQVGFWSA-N 464.521 5.625 5 1 JKBF Cc1ccccc1Sc1cc(Cl)cn2c([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)nc12 1857560607 YZGJPSMJAOYBTM-UHFFFAOYSA-N 473.963 5.329 5 1 JKBF CCCOC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C 2356706855 VQWCRDWFRUUDNG-UHFFFAOYSA-N 474.729 9.642 5 1 JKBF O=[N+]([O-])c1ccc2c(c1)c1ccccc1n2CCCCN1CCN(C/C=C/c2ccccc2)CC1 40860456 UHTJHRRXPGSLER-DHZHZOJOSA-N 468.601 5.814 5 1 JKBF O=C(NCc1ccccc1C(F)(F)F)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134301 GTXMJRXJGKYRFR-UHFFFAOYSA-N 499.493 5.745 5 1 JKBF Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82163444 FNJDYWYCDKBRME-UHFFFAOYSA-N 467.485 6.196 5 1 JKBF CC1=Nc2nc(SCc3ccc([N+](=O)[O-])cc3)nc(O)c2[C@@H](c2ccncc2)/C1=C(/O)OC(C)C 104111233 PMCHQOHOOIIPFZ-FGLBZAAHSA-N 493.545 5.210 5 1 JKBF CCCN(CCC)C[C@H](O)c1cc2ccc(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 169337752 GASHAIUTBVWCNV-FQEVSTJZSA-N 458.351 7.474 5 1 JKBF O=C(O)c1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)ccc1-c1ccccc1[N+](=O)[O-] 204974170 SJXIIKDIJYIYEJ-UHFFFAOYSA-N 486.427 6.649 5 1 JKBF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)ccc21 473099756 HIWMKBMVKLQMNL-MHZLTWQESA-N 487.535 5.302 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587055395 QAUQBBIDKFNRMS-INIZCTEOSA-N 456.808 5.150 5 1 JKBF Cc1c(C(=O)Nc2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cccc1[N+](=O)[O-] 587512558 YNWSDYBLHSYMQB-NDEPHWFRSA-N 470.525 5.915 5 1 JKBF O=C(C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Nc1ccccc1 587574655 GEQBRZZKIZIQGR-LSYYVWMOSA-N 496.475 5.186 5 1 JKBF O=C(O)c1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)c1 587576262 NTRHNGVROKJINI-JYFHCDHNSA-N 483.432 5.369 5 1 JKBF CCOc1ccc(-c2nn(C(=O)c3ccc([N+](=O)[O-])cc3Cl)c(=O)c3ccccc23)cc1OCC 587668848 NSVQBPAUMRYOMT-UHFFFAOYSA-N 493.903 5.111 5 1 JKBF Cc1cc2c(cc1C)-c1nc(C)c(Cn3cc(-c4cc5ccccc5c5ccccc45)nn3)cc1CCC2 1857640085 STFUDAQOSSKFDE-UHFFFAOYSA-N 494.642 7.776 5 1 JKBF COc1cc([C@@H]2S/C(=C/c3ccccc3)C(=O)N2c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 6003761 NTYZVUITGAEFLS-KGONEIDKSA-N 478.526 5.440 5 1 JKBF CCOc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(OCC)cc4)c-3cc2=N)cc1 27638560 VGFRHNZEYPXWJO-UHFFFAOYSA-N 450.542 6.151 5 1 JKBF CC[C@H](c1ccc(O)c(CCCOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)[C@@H](CC)c1ccc(O)cc1 29394356 KCXHYGGBNFDKMD-BJKOFHAPSA-N 494.544 6.613 5 1 JKBF O=C(c1ccccc1)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccc([N+](=O)[O-])cc1 73129972 NEQSBPZDCBNIIP-QHCPKHFHSA-N 465.509 5.411 5 1 JKBF O=[N+]([O-])c1ccc([C@H]2ONC3=C2[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1 195438031 LMBHSQMAJGISMT-FDYRDFEWSA-N 467.569 6.241 5 1 JKBF O=[N+]([O-])c1ccc(-c2cc(O)n(Cc3nc4ccccc4n3Cc3cccc(F)c3)c2O)cc1 587945770 QSGLCKAEMFWIRK-UHFFFAOYSA-N 458.449 5.060 5 1 JKBF CC1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82134786 CWFQULWCUVLVJN-GNRVTEMESA-N 477.609 5.089 5 1 JKBF CCCCCCOCCC12C[C@@H]3C[C@@H](C1)CC(CCO[P@@](=O)(O)OCC[N+](C)(C)C)(C3)C2 102155669 APEAETIGNAGTNG-HHLXFHKQSA-O 474.643 5.790 5 1 JKBF CCc1ccc(-c2[nH]c3ccccc3c2-c2c3ccccc3n3c(=O)c4ccccc4[nH]c23)cc1 473085513 XDGVNDOOBMNLKE-UHFFFAOYSA-N 453.545 7.312 5 1 JKBF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cc4nc5ccccc5nc4cc3[nH]1)C(=O)OC2 586916476 ZOKTUTDCNMCSHP-NVNXTCNLSA-N 494.551 5.474 5 1 JKBF Cc1c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980409 XNTKUWVXRMZNBT-UHFFFAOYSA-N 479.050 5.990 5 1 JKBF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587053077 AVDJZTXUBMLYIY-LLVKDONJSA-N 462.264 6.849 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(F)c(Br)ccc4[nH]3)cc2)nc1C(F)(F)F 587118948 SHEIBGPBPHBGLH-UHFFFAOYSA-N 484.207 5.303 5 1 JKBF CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cncc([N+](=O)[O-])c2[nH]1 587221369 FMSLCKKVKQOVEC-QHCPKHFHSA-N 499.571 6.272 5 1 JKBF C[C@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603774 RPELXIFTFBGJPG-GRKNLSHJSA-N 456.497 7.167 5 1 JKBF O=C(C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 49803864 JEMHPFWVOVZKFL-FQEVSTJZSA-N 493.279 6.802 5 1 JKBF CCn1cc(C(=O)O)c(=O)c2c3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3ccc21 169308515 JOIICDUYZMRTMG-UHFFFAOYSA-N 457.436 5.275 5 1 JKBF CCc1c(C)c2cc3nc(cc4cc(C)c(cc5nc(cc1[nH]2)C(CCC(=O)OC)=C5C)[nH]4)C(C)=C3 238732264 RQHLVRQQXPDZHG-UHFFFAOYSA-N 480.612 6.938 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587054322 JTIPTVDSRUVHOB-JOCHJYFZSA-N 480.977 6.403 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 587340452 HTGOKWPAIQCIRV-BDYUSTAISA-N 455.441 5.742 5 1 JKBF C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587532506 OHRFDTACDCQVDE-CQGGRAHPSA-N 454.522 6.016 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 587859099 BRFMGWSJQRGWEP-CYBMUJFWSA-N 464.305 5.580 5 1 JKBF O=[N+]([O-])c1ccc(-c2cn([C@@H](CN3CCOCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 653886925 LPPFMXYDGIQRLK-DEOSSOPVSA-N 485.569 5.143 5 1 JKBF O=C1C[C@H](c2ccc(-c3ccccc3)cc2)Sc2ccccc2N1Cc1ccccc1[N+](=O)[O-] 1857767374 UHYDECGWRNBBOU-HHHXNRCGSA-N 466.562 7.032 5 1 JKBF O=C(O)c1ccc(C(=O)O)c(-c2c3ccc4cc(O)ccc4c3oc3c2ccc2cc(=O)ccc23)c1 64625151 AWSNLYPKRXALAA-UHFFFAOYSA-N 476.440 6.022 5 1 JKBF in-vitro O=C(NCC1CCCCC1)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 82134737 SPNRMODVAXDIKA-UHFFFAOYSA-N 477.540 5.156 5 1 JKBF Cc1c(-c2nc3c(Br)cnc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980020 MYTSRQHMNLTMQH-UHFFFAOYSA-N 490.937 5.129 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)N1 587702866 WZFHANNQQCSMSW-AMXDTQDGSA-N 491.744 6.566 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)N1 587746373 JQXRUOYNRVBQQK-XMHCIUCPSA-N 481.325 5.435 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)N1 587844739 MCDPRACEMIVLSK-MCMMXHMISA-N 473.367 6.271 5 1 JKBF Cc1ccc(-c2nc(NC(=O)Nc3ccc(F)cc3F)sc2-c2ccc([N+](=O)[O-])cc2)cc1 1772643156 CSFWEPDULQUVLJ-UHFFFAOYSA-N 466.469 6.616 5 1 JKBF O=C(c1ccccc1)c1sc(N2CCN(c3ccccc3)CC2)nc1-c1ccc([N+](=O)[O-])cc1 1857653988 XNQFVCCZDCTKEX-UHFFFAOYSA-N 470.554 5.276 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c(oc5ccccc54)c(NCCN4CCCC4)c3c2)cc1 1857753429 BTSHZGDBEOLLFK-CMDGGOBGSA-N 479.649 7.534 5 1 JKBF C[N+](C)(C)c1ccc(CC(=O)OCCCCCn2ccc3cc(OCc4ccccc4)ccc32)cc1 13524863 ORBFCUWIDXEPDF-UHFFFAOYSA-N 485.648 6.373 5 1 JKBF O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@@H](O)Cn3ccnc3)c(Cc3ccccc3)cc2c1 43024403 NWZWEGAUPAOXBG-VWLOTQADSA-N 484.487 5.595 5 1 JKBF Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 72118087 QLJIXEUJYGIQRR-RUZDIDTESA-N 451.482 5.421 5 1 JKBF CCOc1cc2oc(=O)c(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)cc2cc1Br 586998842 QBYDZMPXEGENKD-UHFFFAOYSA-N 464.659 5.059 5 1 JKBF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587038599 AEHVBHIEMKPOLK-QHCPKHFHSA-N 453.567 6.156 5 1 JKBF COc1cccc(-c2cc(CC(=O)Nc3ccc([N+](=O)[O-])cc3)nc3c2oc2ccccc23)c1 587362721 KXYPCWLSQXGQRW-UHFFFAOYSA-N 453.454 5.746 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(SCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)O2 587381483 JPJAAYYZMFOPLU-OAQYLSRUSA-N 488.487 6.503 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(C(=O)OC)cc3)c([N+](=O)[O-])c1)CC2=O 587468240 CKCWSEHMEDFSEY-DEOSSOPVSA-N 477.469 5.538 5 1 JKBF Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587508700 SNIHEXZHSWOCOW-HHHXNRCGSA-N 461.945 6.653 5 1 JKBF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Oc1ccc([N+](=O)[O-])cn1 587513805 UNZILYXLZUUNKC-QHCPKHFHSA-N 460.486 5.766 5 1 JKBF O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587513971 WHIJBVPWAATOSC-SANMLTNESA-N 465.509 6.033 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccc([N+](=O)[O-])cc2)c2ccccc12 587574353 FMUWXBILEFQZFJ-LSYYVWMOSA-N 478.460 5.947 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N1 587693466 DHRHDYVIDDGVQJ-YTEVENLXSA-N 491.744 6.566 5 1 JKBF O=C(NCCOc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2478486 OKAGUOBTSQPCRE-UHFFFAOYSA-N 481.867 5.518 5 1 JKBF COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587512628 ZYALMOORZSBAJI-SANMLTNESA-N 487.508 5.546 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)N1 587843163 HFSSSXPZUVTWHI-LFVRLGFBSA-N 487.394 6.412 5 1 JKBF Cc1ccc2[nH]c3ccccc3c(=Nc3ccc(NC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)c2c1 653715520 XIZZMXLHWBEEBA-UHFFFAOYSA-N 463.497 6.414 5 1 JKBF Cc1oc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163562 BFSJISWVIKHPGC-UHFFFAOYSA-N 497.942 6.948 5 1 JKBF C[C@@](C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1 84544657 RVXKMYHNDBHDLD-SHZVQYQYSA-N 477.669 5.009 5 1 JKBF Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1 169305221 NZBZBBBHZDDTRU-UHFFFAOYSA-N 494.554 5.080 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587261167 XEAJLBFOFSUAEU-AWEZNQCLSA-N 488.525 6.099 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1cccc3ccc4ccc5cccc2c5c4c13 587604448 TXWLYAFEVLREBG-GDLZYMKVSA-N 466.492 7.071 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N1 587693457 DHRHDYVIDDGVQJ-AMXDTQDGSA-N 491.744 6.566 5 1 JKBF CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587726060 HOHJUMZEYVKPIF-ZLOXQWCVSA-N 488.332 5.503 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)N1 587743702 BFYGQHWXPYSSNM-JBEBIEQOSA-N 495.352 5.393 5 1 JKBF O=[N+]([O-])c1cc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(F)cc1Br 962958888 PPOPRNLCLJCVCR-SFHVURJKSA-N 489.263 5.256 5 1 JKBF O=[N+]([O-])c1cc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)cc([N+](=O)[O-])c1 1857592875 YBYBXRBWIRGMHP-UHFFFAOYSA-N 481.921 5.756 5 1 JKBF O=C(OCCN1CCCCCC1)C1(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2-c2ccccc21 13864179 DEZGOPRIDWWAEB-UHFFFAOYSA-N 470.569 5.523 5 1 JKBF Cc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174372 HGNKADLRZCAFSY-UHFFFAOYSA-N 451.939 6.058 5 1 JKBF Cc1ccc2c3c(cc(/C(=C/c4cccc([N+](=O)[O-])c4)C(=O)OC(C)C)nc13)-c1ccccc1C2=O 587096924 DXGIMNCTUCDCIF-OYKKKHCWSA-N 478.504 6.155 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587264762 SOVZIGLPWJNRQF-VIFPVBQESA-N 457.792 5.495 5 1 JKBF COc1ccc2c(c1)CC[C@H](c1ccc([N+](=O)[O-])cc1)[C@]21c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962621510 HBFJLGIWPZJPRH-QIYJARMZSA-N 488.584 5.471 5 1 JKBF C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(Cl)c(Cl)c1 13812784 FXXODVQDKRTWKN-UHFFFAOYSA-N 478.896 7.916 5 1 JKBF COc1ccc([C@@](O)(c2cc3cc([N+](=O)[O-])cc(-c4ccccc4)c3o2)c2cncn2C)cc1 40897897 IFKAALRNWXMIOI-SANMLTNESA-N 455.470 5.034 5 1 JKBF O=C(O)c1ccc(-c2cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)ccc2F)cc1F 587138427 IGLFJIUWGSCKLY-UHFFFAOYSA-N 450.444 7.180 5 1 JKBF COc1cccc(-c2cc(Cc3ccc(Br)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587356886 BMWHHSNJPUQECZ-UHFFFAOYSA-N 489.325 6.918 5 1 JKBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(C)cc1[N+](=O)[O-] 587511462 PZVYVUFRPVIDBN-SANMLTNESA-N 473.525 6.076 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 587691030 BHTRGSLVIAMZMA-FVINQWEUSA-N 465.706 6.033 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1 587719822 LUFMOQUGFDBWGM-YPMLDQLKSA-N 477.252 5.387 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)N1 587842016 CRAKPRBPGSIPHR-WHEQGISXSA-N 479.415 6.545 5 1 JKBF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)N1 962761153 GRPAQQXMVRPDBP-GHTZIAJQSA-N 460.820 5.007 5 1 JKBF CC(C)c1nn(C)c2c1[C@]1(NCC2)c2ccccc2CC[C@@H]1c1cc(Cl)c([N+](=O)[O-])cc1F 962916747 FBNRMCHODMVSAP-CJAUYULYSA-N 468.960 5.364 5 1 JKBF Cc1cc(C)cc(-c2c(OCC[C@H]3CCCCN3C)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 26577342 WCHAXXSYDDEDIK-GOSISDBHSA-N 469.969 5.627 5 1 JKBF CC(C)CN(C)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 82134439 SCHANPRWXQVDQE-UHFFFAOYSA-N 487.482 5.411 5 1 JKBF O=C(NCC1CCCCC1)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134478 WZVXZSJLCFERJE-UHFFFAOYSA-N 451.571 5.354 5 1 JKBF Cn1nc(-c2nnc(SCc3cccc([N+](=O)[O-])c3)o2)cc1-c1ccc(C(F)(F)F)cc1 84654618 QBYVHSZHQXVHMW-UHFFFAOYSA-N 461.425 5.356 5 1 JKBF COc1ccc(CCn2c(=O)c3ccccc3c3nc4ccc(NCc5ccccn5)cn4c32)cc1 103232343 JTMPBLNFYCBENJ-UHFFFAOYSA-N 475.552 5.061 5 1 JKBF CCOc1cc2oc(=O)c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2cc1Br 587000169 NBNLPLWNYGZFST-UHFFFAOYSA-N 485.337 6.804 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)c(F)c(F)c2[nH]1 587054868 MMXKXPNXXMIGLQ-HNNXBMFYSA-N 487.688 5.292 5 1 JKBF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1OC 587058754 YYUGZJNBBPPRGJ-UHFFFAOYSA-N 470.844 5.200 5 1 JKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)c1 587270914 WVKNNYRZEIXGNU-UHFFFAOYSA-N 479.212 5.861 5 1 JKBF COc1cccc(-c2cc(-c3cc(Br)cc([N+](=O)[O-])c3O)nc3c2oc2ccccc23)c1 587359948 JYOZCSXPBMAGKD-UHFFFAOYSA-N 491.297 6.700 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 587718597 IUJPZIOIJHNXFJ-QZTNRIJFSA-N 462.088 5.022 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587732771 JQWTYAFTQPAACK-CRKZIRERSA-N 485.328 6.127 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)N1 587748331 UPYVEUVQPDLZKK-DMZKTXOQSA-N 485.309 5.339 5 1 JKBF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2c3ccccc3cc3ccccc23)N1 963165261 BKPFLSZQUUAYNS-GGAORHGYSA-N 455.863 6.354 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](c1cccs1)C1=C(COC1=O)N3 1772642897 OIFXWMWKCRPOQL-VWLOTQADSA-N 489.549 5.457 5 1 JKBF Cc1ccc2oc(=O)c3cc(C4=Nc5ccc(C(=O)c6ccccc6)cc5N=CC4)c(=O)oc3c2c1 1857566675 NGHPUTDWYDAKHE-UHFFFAOYSA-N 474.472 5.666 5 1 JKBF C[C@@](O)(CSc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857613875 JMBRREJFMRHDCI-MRXNPFEDSA-N 468.375 5.114 5 1 JKBF Cc1nc2c(cc1Cn1cc(-c3cc4ccccc4c4ccccc34)nn1)CCCc1ccccc1-2 1857758453 YSXAQQIUHZIOAP-UHFFFAOYSA-N 466.588 7.159 5 1 JKBF Cc1ccc(C(=O)O[C@@H](C)c2cccc3nc4c(C(=O)O)cccc4nc23)c(OCc2ccccc2)c1 29466173 URERXLFRRBZDRF-IBGZPJMESA-N 492.531 6.287 5 1 JKBF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c3ccccc3c3ccccc3c2[nH]1 587000434 KAMMHJKYVJDZAN-NRFANRHFSA-N 455.359 6.356 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)ccc1Sc1nc2ccccc2s1 587038367 RSRIBNPIGUCCIA-UHFFFAOYSA-N 488.472 6.798 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccc([N+](=O)[O-])cc2)c2ccccc12 587574351 FMUWXBILEFQZFJ-LBNVMWSVSA-N 478.460 5.947 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])N1 587747603 OZPDVJJLNYSIBH-MCMMXHMISA-N 457.299 5.912 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C)Oc2ccc3c(c2)oc(=O)c2ccccc23)N1 587839647 GBLPVKXOMRPFBW-HMPCPRATSA-N 496.376 6.065 5 1 JKBF COc1ccc2c(c[n+]3c4c2cc(Cc2ccc(C)cc2)c2c5c(cc(c24)CC3)OCO5)c1OC 1857537396 CZLBHWYHRMXUKU-UHFFFAOYSA-N 464.541 5.635 5 1 JKBF O=C(c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCCC1 82135799 YYPFHWRXBLBRPJ-UHFFFAOYSA-N 485.466 5.309 5 1 JKBF CCCc1nc2cc([N+](=O)[O-])ccc2n1Cc1ccc2c(ccn2-c2ccccc2C(=O)O)c1 169310199 XPPYZFDVVIKEET-UHFFFAOYSA-N 454.486 5.587 5 1 JKBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc1Cl 587047297 FLGKKNINNSCIFM-DUXPYHPUSA-N 462.609 5.956 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1)O2 587381107 FULRFLKDQQDWHS-NRFANRHFSA-N 458.392 6.003 5 1 JKBF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C)CC2=O 587472373 IAFOOFYFZSPVKK-VWLOTQADSA-N 470.522 5.956 5 1 JKBF COc1cc2c(cc1OC)[C@@H](c1ccc(OCc3ccccc3[N+](=O)[O-])c(OC)c1)N(C)[C@@H](C)C2 962627476 PMONUAXSWSSKSF-CBZJRKILSA-N 478.545 5.165 5 1 JKBF C[C@H](c1ccc([N+](=O)[O-])c(Cl)c1)[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962918351 IHYVOSVJDDOVGX-CRTAZNOZSA-N 482.920 5.364 5 1 JKBF CC(C)=CCCC(C)=CCn1c2ccccc2nc2c(C(=O)O)c3oc(=O)c(-c4ccccc4)c3cc21 2356563416 BHHZMNGABXTHMA-UHFFFAOYSA-N 492.575 7.354 5 1 JKBF COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C 15248838 RJQKCIQZFYHTRJ-LICLKQGHSA-N 496.600 6.010 5 1 JKBF CC(C)=CCc1c2c(c(O)c3oc4cc5c(c(O)c4c(=O)c13)C=CC(C)(C)O5)C=CC(C)(C)O2 15252012 SSITWAPGVBPANU-UHFFFAOYSA-N 460.526 6.235 5 1 JKBF endogenous,in-man O=[N+]([O-])c1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2-c2ncc(-c3ccccc3)s2)c1 82163569 SUVJLLGUBGYJQE-UHFFFAOYSA-N 499.983 7.108 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586969784 YFRZCJYWLJTDCB-UHFFFAOYSA-N 451.302 5.557 5 1 JKBF Cc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1Cl 587033982 AUFBQTYDHZWQCE-UHFFFAOYSA-N 452.948 6.861 5 1 JKBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCn1nc(C)c([N+](=O)[O-])c1C 587512938 PXZNDHQNDLKWBV-HSZRJFAPSA-N 477.517 5.039 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(F)c([N+](=O)[O-])c1 587553398 ARQQSKMPAVVAJN-BVAGGSTKSA-N 457.413 5.345 5 1 JKBF Nc1c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2cc([N+](=O)[O-])ccc12 587574341 FKCFAYSHZLLFTJ-NEKDWFFYSA-N 494.459 5.534 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1 587695105 MZWVKZZWHLCYRJ-WVDJIFEKSA-N 465.706 6.033 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c3ccccc3cc3ccccc23)(C(F)(F)F)N1 587709346 LGPPETJISCLXJN-LFPIHBKWSA-N 488.322 7.235 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1 587844043 LRBWNQDRPCITKM-MCMMXHMISA-N 479.415 6.545 5 1 JKBF O=c1c2ccc(OCCCCN3CCCC3)cc2oc2cc(OCCCCN3CCCC3)cc(O)c12 653773241 HWIGNAXVUGTOEP-UHFFFAOYSA-N 494.632 5.161 5 1 JKBF O=[N+]([O-])c1ccc(N2N=C(c3ccc(NCc4nc5ccccc5[nH]4)cc3)C[C@@H]2c2ccco2)cc1 17217709 RROAABDFHLYJJV-RUZDIDTESA-N 478.512 6.032 5 1 JKBF CC1CCC(/N=c2\cc3n(-c4ccccc4)c4ccccc4nc-3cc2Nc2ccccc2)CC1 27643628 PXPOTGGZOHDPQA-PJJLUWSFSA-N 458.609 7.353 5 1 JKBF Oc1ccc2c(ccc3cc4ccc(O)cc4c(-c4ccc(OCCN5CCCCC5)cc4)c32)c1 28381178 DLUHBPYUABWXMD-UHFFFAOYSA-N 463.577 7.089 5 1 JKBF O=[N+]([O-])c1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1 82150226 JYTZVBGBNXZMGQ-UHFFFAOYSA-N 466.856 6.292 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 82174126 LYLWJQMICYSLAU-UHFFFAOYSA-N 499.552 6.364 5 1 JKBF O=[N+]([O-])c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc([N+](=O)[O-])cc4)ccn3)c2)cc1 220206536 BRCQBWDIBFOKMW-ZPUQHVIOSA-N 450.454 6.301 5 1 JKBF Cc1ccc([C@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513430 SIDBCIQDODAQML-PMERELPUSA-N 493.563 5.936 5 1 JKBF C[C@@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555762 LZVFAADODGFJJF-UGKGYDQZSA-N 475.375 5.162 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)N1 587703716 ZIKDFFYWCHUHGP-AMXDTQDGSA-N 491.744 6.566 5 1 JKBF Cc1ccc([C@]2(c3ccccc3C(=O)O)NCCc3cccc(-c4ccccc4)c32)cc1[N+](=O)[O-] 962674682 YMKNPPNMJKRXGE-GDLZYMKVSA-N 464.521 5.706 5 1 JKBF O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)[C@@H]3c4cc(Br)ccc4OC[C@@H]23)c1 5823931 USKXNVQGGUMSLO-SIKLNZKXSA-N 450.292 5.332 5 1 JKBF CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ncccc23)c(OC)c1 26844047 WMQZGIGLGSIZLF-UHFFFAOYSA-N 450.564 5.467 5 1 JKBF CC/N=c1/cc2oc3cc(NCCCC(=O)OCC)c4cc5ccccc5cc4c3nc-2cc1C 29059012 WRRFVKOTDBDKHG-WMMMYUQOSA-N 467.569 6.223 5 1 JKBF O=c1c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1CC1CCCCC1 49113017 TZZTZBGSLYSHGY-UHFFFAOYSA-N 457.414 6.047 5 1 JKBF COc1ccc(CCNc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82134922 TWFUJDFFAILASB-HOYKHHGWSA-N 489.576 5.024 5 1 JKBF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 82148400 DBLCKTBFCVBBCL-UZUQRXQVSA-N 493.995 5.668 5 1 JKBF COc1c(O)cc2oc3cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c3c(=O)c2c1C/C=C(\C)CO 238738330 NYNDEBFRZFBLCF-BEQMOXJMSA-N 494.584 5.788 5 1 JKBF COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 587266147 VWBCSEBELYDWDE-UHFFFAOYSA-N 490.497 5.208 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(C)cc1)(Cc1cc(OC)c(O)c([N+](=O)[O-])c1)CC2=O 587473376 SWTKMGKLETWOHD-NDEPHWFRSA-N 491.540 5.465 5 1 JKBF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 963643484 ZVSJAMOGAHZTRB-JBEBIEQOSA-N 493.610 5.997 5 1 JKBF CCN(CC)c1ccc2c(-c3ccccc3C(=O)OCC[18F])c3ccc(=[N+](CC)CC)cc-3oc2c1 103068608 QGFGTQBUZAGRRG-MNHPIYLBSA-N 488.614 5.989 5 1 JKBF Cc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2cc1Cl 586949558 YOMLQZADGMWLER-UHFFFAOYSA-N 456.911 5.209 5 1 JKBF CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587074181 UIRXMXAGPZGEHB-QHCPKHFHSA-N 456.930 5.593 5 1 JKBF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587146917 BJMFGVCOYKFBKS-UHFFFAOYSA-N 464.456 5.839 5 1 JKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587268772 DXALTCXAQXDBCH-UHFFFAOYSA-N 471.233 5.399 5 1 JKBF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)CC2=O 587458565 AATGVVBNQCXUBA-AREMUKBSSA-N 492.915 6.144 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Sc1ccccc1 587613242 NJBMUASRGYRRIR-OZXSUGGESA-N 471.490 6.155 5 1 JKBF Cc1c([C@H](C)c2c(Cl)cccc2Cl)nc(SC/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O 28862955 LVWRSFHPJDIVID-MUBLQREKSA-N 476.385 6.251 5 1 JKBF O=C(NCCC1=CCCCC1)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1 82081724 FHQQPFYOEWPPGQ-UHFFFAOYSA-N 490.585 5.269 5 1 JKBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135134 URQKZZKOIXZCOB-QZTJIDSGSA-N 493.995 5.968 5 1 JKBF CC(C)CN(CC(C)C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1 82150200 PHMMQRIRLLFVID-UHFFFAOYSA-N 493.583 5.600 5 1 JKBF Cc1ccc2c3c(cc(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)nc13)-c1ccccc1C2=O 587098671 RUOYYQCOXXOODN-UHFFFAOYSA-N 458.473 7.122 5 1 JKBF C[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199922 QPFJTTDWEAQGPO-AWEZNQCLSA-N 487.472 5.321 5 1 JKBF O=C1C[C@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587501611 BTALFDVPEQKTNZ-VWLOTQADSA-N 468.336 6.689 5 1 JKBF COC(=O)c1ccccc1Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587507103 AHKSVXGYCHEDJW-RUZDIDTESA-N 473.481 5.759 5 1 JKBF S=C(Nc1ccc(Cl)cc1)Nc1ccc(N=c2c3ccccc3[nH]c3ccccc23)cc1 653704576 CAEWAICUGNOBDH-UHFFFAOYSA-N 454.986 7.016 5 1 JKBF CCOC(=O)c1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)c3ccsc3CCN2Cc2cccnc2)cc1 962999552 SGBZHFOIZMHSJJ-NDEPHWFRSA-N 499.592 5.578 5 1 JKBF Cc1cccc2c1[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963914558 HVMURCLNPMYXTK-CJFMBICVSA-N 492.528 5.889 5 1 JKBF COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 586964422 ZGBDNPIMCLNMNS-FQEVSTJZSA-N 486.594 5.758 5 1 JKBF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587108425 MJNIAVASGYKJAR-OAQYLSRUSA-N 497.502 5.204 5 1 JKBF COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587338226 RDAICQCWJGSOIO-LMSSTIIKSA-N 499.494 5.945 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)[C@H]1c1ccc(F)cc1 587354383 QKJJEAAWWYYYJC-TWJUONSBSA-N 498.553 8.019 5 1 JKBF C[C@@]1(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502258 DBQUJWWNMLHZHX-MHZLTWQESA-N 461.489 6.072 5 1 JKBF CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587743529 AVJWPUYUXWDRIP-UTWWPYJBSA-N 481.362 5.554 5 1 JKBF O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21 3933603 RHWFCIJKMABLLH-QUBVCFFMSA-O 469.605 5.119 5 1 JKBF CN(CCOc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1)Cc1ccc(F)cc1 13603169 FAXSWSFSYAJEAT-UHFFFAOYSA-N 495.554 5.584 5 1 JKBF CCN(Cc1ccccc1)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 82159831 NFVQAHGZQVYDGP-UHFFFAOYSA-N 467.529 5.326 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587158430 FAWVOJLPAOSELU-UHFFFAOYSA-N 452.243 5.379 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(SCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)O2 587381482 JPJAAYYZMFOPLU-NRFANRHFSA-N 488.487 6.503 5 1 JKBF COc1cccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 587648703 KFHZMZWESHSUDV-UHFFFAOYSA-N 484.468 5.693 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2[N+](=O)[O-])N1 587678181 JTTXDUSHLDLSKS-HUTHGQBESA-N 458.125 5.057 5 1 JKBF C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(/C=C/c5ccccc5)cc4c32)ccc1C 1857632259 CEJHRMYKGWBHHX-ZHACJKMWSA-N 457.533 6.142 5 1 JKBF CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 82195919 AWRDIIHWIRYKCS-MAUKXSAKSA-N 499.102 6.238 5 1 JKBF CC(C)(C)OC(=O)N1CC[C@@H](CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84710550 UYNQMTDBYISFRT-KRWDZBQOSA-N 466.003 5.569 5 1 JKBF O=C(Nc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)Nc1cccc([N+](=O)[O-])c1 96167980 YQKCLCUGJALUIF-UHFFFAOYSA-N 480.424 5.058 5 1 JKBF COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OC(=O)c1ccc(F)cc1 96937410 XEKNHGZDFSFWRN-UHFFFAOYSA-N 468.460 5.085 5 1 JKBF COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(Cl)c([N+](=O)[O-])cc5[nH]4)[nH]c23)cc1 586953858 UACVOLFVMQYEDX-UHFFFAOYSA-N 497.920 5.082 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1Sc1nc2ccccc2s1 587038883 ULQRUNWYWPZKOW-UHFFFAOYSA-N 476.436 6.455 5 1 JKBF Cc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(F)c1 587146252 GBSNFRDFVMYXHA-UHFFFAOYSA-N 480.451 5.959 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587424026 WIYQCHULBWGUCQ-SBUREZEXSA-N 471.387 5.903 5 1 JKBF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2ccc3ccc4cccc5ccc2c3c45)N1 962635067 OFERBDQTUZFGGT-CPJSRVTESA-N 461.439 6.171 5 1 JKBF CCCCc1oc2ccccc2c1C(=O)c1cc(OC)c(OCCC[N+](C)(C)C)c(OC)c1 1857537117 QALQUZHMZUYBKH-UHFFFAOYSA-N 454.587 5.499 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 40164500 WLLMYDQRCSWAST-GXHMHEFCSA-O 472.690 6.557 5 1 JKBF endogenous,in-man CC(C)CN(C)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 82134954 DUNPOIVIYKVKRI-UHFFFAOYSA-N 467.957 5.088 5 1 JKBF CC1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82136056 UIFKFPRQJFRMCA-UHFFFAOYSA-N 473.577 5.339 5 1 JKBF O=[N+]([O-])c1cnc2nc(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)[nH]c2c1 586949270 RVVLHUCVIVMENQ-UHFFFAOYSA-N 487.497 5.126 5 1 JKBF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cs2)cc1 587011961 FVKYWBFUZVPNHX-UHFFFAOYSA-N 485.953 6.186 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 587749125 XCQYMYRYOZLVEU-MYYSRTQBSA-N 485.353 5.873 5 1 JKBF O=C(O)[C@H]1CC[C@H](C[C@]2(c3ccc([N+](=O)[O-])cc3)NCCc3cc(-c4ccccc4)ccc32)CC1 962660441 HNSFOBCLWZTEDJ-AXEQZFEOSA-N 470.569 5.932 5 1 JKBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccc(F)cc1 4214495 HXUXCHWTBLNNFX-PKTZIBPZSA-N 475.948 5.760 5 1 JKBF Cc1cnc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163755 UALQNOSYZCENLW-UHFFFAOYSA-N 471.395 5.526 5 1 JKBF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c(F)c2)c1 587138762 USOWTVZCPIYJHW-UHFFFAOYSA-N 452.420 5.970 5 1 JKBF COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587579423 ZSZSZNAOEOGBGK-LEAFIULHSA-N 498.491 5.624 5 1 JKBF CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587743527 AVJWPUYUXWDRIP-SASJJMKUSA-N 481.362 5.554 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 587860967 HKHLFWDGGMPEHR-UHFFFAOYSA-N 496.759 6.720 5 1 JKBF O=C1c2c(c3c4ccccc4n4c3c3c2c2ccccc2n3CC=CC4)C(=O)N1Cc1ccccc1 5616038 UEJNGLCATPTPMT-UHFFFAOYSA-N 467.528 6.268 5 1 JKBF CC(C)=CCc1c2c(c(O)c3c(=O)c4cc5c(c(O)c4oc13)OC(C)(C)C=C5)C=CC(C)(C)O2 13382720 NOGPWNDHSHIXIK-UHFFFAOYSA-N 460.526 6.235 5 1 JKBF biogenic,in-vitro Cc1oc(-c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174274 IPICLXKXYOWTNY-UHFFFAOYSA-N 469.545 6.674 5 1 JKBF O=C(Nc1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1)c1ccc(Br)cc1 586984002 MCNPUFUDLZXYED-UHFFFAOYSA-N 455.243 5.292 5 1 JKBF COCCOC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104785 IQFWVHAONXMGHS-HZHRSRAPSA-N 480.476 5.085 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 587166602 XEIMPVCFPRIFMR-UHFFFAOYSA-N 472.299 5.340 5 1 JKBF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587424025 WIYQCHULBWGUCQ-GAJHUEQPSA-N 471.387 5.903 5 1 JKBF C[C@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579397 ZIGAEESHZCVRPD-ZEQKJWHPSA-N 460.486 5.168 5 1 JKBF C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612551 WCHUJGCJTZAKCC-GGXOAPMCSA-N 494.499 5.840 5 1 JKBF COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962631483 RMKPXFZFFIFHLA-PUAOIOHZSA-N 492.528 5.157 5 1 JKBF CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(O)cc2)NCCc2ccc(O)cc21 963342709 SFBHWUHMYIUHJD-MHZLTWQESA-N 458.514 5.532 5 1 JKBF O=C(NCC1CCCCC1)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2481223 UEYMJNFNSVGQQR-UHFFFAOYSA-N 474.344 6.534 5 1 JKBF c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\CC2CCCCC2)cc1 27639315 OPDKWBKMEDVBQA-QVAGMWBUSA-N 458.609 7.355 5 1 JKBF Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@@H]2NCCC[C@H]2C)c1 29473384 OZZBVNMMCKQURU-UZLBHIALSA-N 469.969 5.943 5 1 JKBF COc1c(O)cc2oc3cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 43025306 ABFFWBKBJIQSFF-WOJGMQOQSA-N 478.585 6.816 5 1 JKBF CC1(C)C=Cc2cc(CN(c3ccccc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2O1 72182757 PQBZWKNGVRLLPK-UHFFFAOYSA-N 450.516 5.175 5 1 JKBF C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C 82134481 XEMOALZAIRRZFS-LFUSFCIXSA-N 491.636 5.845 5 1 JKBF CCCCCc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174670 TYXJKSINSVBCFI-UHFFFAOYSA-N 489.551 6.542 5 1 JKBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1ccc([N+](=O)[O-])cc1 587576952 QGQVDIADXATPIT-IGKIAQTJSA-N 485.448 5.804 5 1 JKBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587644414 BWOCQHPJSRGDSE-FYYLOGMGSA-N 460.873 5.588 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 587753660 WDWNUFXLSBHXSJ-FATZIPQQSA-N 471.326 6.086 5 1 JKBF O=C(O)CCCCCCCCCCCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587956993 OQIZPJGJCRFYDQ-UHFFFAOYSA-N 454.365 6.152 5 1 JKBF O=C(C[C@]1(c2ccccc2)c2cccc(F)c2CCN1[C@@H]1CCSC1)Nc1ccc([N+](=O)[O-])cc1 962706780 ONQBWEJYRPUOQC-AMGIVPHBSA-N 491.588 5.370 5 1 JKBF COc1ccc2c(c1)[C@H](c1ccc(Oc3nn(C)cc3[N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)CC2 963304680 UHPHIWZOZGRVAQ-SANMLTNESA-N 488.519 5.416 5 1 JKBF Cc1nc2cc(C(F)(F)F)ccc2n1CCNc1nc(-c2ccc([N+](=O)[O-])c(Cl)c2)cs1 15933653 AKELMPAGTQMWDM-UHFFFAOYSA-N 481.887 6.161 5 3 JKBF CC[C@@H](C)Nc1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 82159915 KKNKGPSHNLIYOD-CQSZACIVSA-N 473.455 5.211 5 1 JKBF CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84690228 UAOXQFGFWQUXFM-QGZVFWFLSA-N 451.976 5.321 5 1 JKBF CC1(C)[C@H]2CC[C@@H](C[N+](C)(C)Cc3ccc(-c4ccccc4I)cc3)[C@@H]1C2 95564653 SSSKPYHJCABRNO-FUDKSRODSA-N 474.450 6.607 5 1 JKBF CC[N@@+]1(C)CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 253683246 ATTLRCVUJOHHKI-YIHKWUSESA-N 462.224 5.857 5 1 JKBF CCCCc1cc(=O)oc2cc(OCc3nc4cc5nc6ccccc6nc5cc4[nH]3)ccc12 586917511 CXRURRPZGCTPOF-UHFFFAOYSA-N 450.498 5.687 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586976092 SXSVBUBPBLNCKA-UHFFFAOYSA-N 465.916 5.970 5 1 JKBF O=C(O)c1cc(F)cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 587038333 QZYZQODUBVVRNG-UHFFFAOYSA-N 466.475 5.736 5 1 JKBF CC(C)Oc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1Br 587110057 RCMKWRKJGIJYQH-UHFFFAOYSA-N 458.234 5.630 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1ccccc1C(=O)OC)CC2=O 587461199 QOZXQKNTWLLFAJ-SANMLTNESA-N 495.915 5.602 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2=O 587467775 RPEBJVGRBZOOQR-AREMUKBSSA-N 465.477 5.852 5 1 JKBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCc1ccccc1 587575907 LHHXVEJWACYMHB-LBNVMWSVSA-N 499.475 5.591 5 1 JKBF COc1ccc2c(c1OC)[C@@](CCCCC(=O)O)(c1cc3ccccc3c3ccccc13)N(C)[C@@H](C)C2 962573366 RMPIPZYKQADWQO-GFJKYASSSA-N 497.635 6.775 5 1 JKBF O=[N+]([O-])c1cccc([S@](=O)(O)=Nc2nc3ccccc3nc2-[n+]2ccc(Cc3ccccc3)cc2)c1 1857760407 FCLMVHORVWWJGF-UHFFFAOYSA-O 498.544 5.037 5 1 JKBF CCN(CC)C(=O)c1cccc(N2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)c1 73141658 KWLZPERNJAGQKZ-UHFFFAOYSA-N 465.597 5.437 5 1 JKBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148376 RYMJPLLMAJRVNH-QZTJIDSGSA-N 451.571 5.447 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc([N+](=O)[O-])c1 587135474 CKACVSIOXKGAJO-UHFFFAOYSA-N 451.457 6.484 5 1 JKBF CCCOc1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2cc1Br 587137407 YRRYQEDXGYBMFU-UHFFFAOYSA-N 451.296 5.106 5 1 JKBF O=C(O)c1ccc(-c2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)ccc2F)cc1F 587138431 IJUXSRBLDGSBKF-UHFFFAOYSA-N 452.420 5.970 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c1)CC2=O 587468980 FRODFFSFYFKYOP-SANMLTNESA-N 477.513 5.855 5 1 JKBF O=C(Nc1ccccc1)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627595 DZQLYTLWVSSPCT-UHFFFAOYSA-N 493.363 7.033 5 1 JKBF COc1ccc(N=c2c(OC)ccc3c4ccc5c6c(cc7c5c4n(cc2-3)CC7)OCO6)c(OC)c1 1857537562 PLXFEEGKBPMLHY-UHFFFAOYSA-N 480.520 5.442 5 1 JKBF CCc1cnc(-c2cnc(NCCc3ccc(OC)cc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82221495 FTLABWKNNZCJPX-UHFFFAOYSA-N 461.547 5.401 5 1 JKBF Cc1nc(C)c(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)s1 587011550 IJSQPPKEUQYUKU-UHFFFAOYSA-N 497.532 5.509 5 1 JKBF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2C1 587034581 PKTCHAQTFDPWBQ-UHFFFAOYSA-N 455.583 6.891 5 1 JKBF Clc1ccccc1-c1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc2n1 587060778 UWSLNJPUILVAKY-UHFFFAOYSA-N 457.924 7.195 5 1 JKBF COC(=O)c1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 587136313 DDVVFUICDWIOII-UHFFFAOYSA-N 481.459 5.224 5 1 JKBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCc1ccccc1 587575909 LHHXVEJWACYMHB-LEAFIULHSA-N 499.475 5.591 5 1 JKBF Cc1ccc(NC(=O)Nc2ccc(N=c3c4ccccc4[nH]c4ccc(Cl)cc34)cc2)cc1 653717428 DKACDESSEAPFHP-UHFFFAOYSA-N 452.945 7.159 5 1 JKBF COc1ccc2c(c1)CC[C@H](c1ccc([N+](=O)[O-])cc1)[C@@]21c2cc(OC)c(OC)cc2C[C@H](C)N1C 962621513 HBFJLGIWPZJPRH-SUADDWRTSA-N 488.584 5.471 5 1 JKBF COc1ccc([C@](O)(c2cc3cc([N+](=O)[O-])cc(-c4ccccc4)c3o2)c2cncn2C)cc1 40897899 IFKAALRNWXMIOI-AREMUKBSSA-N 455.470 5.034 5 1 JKBF COc1cccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)c1 104096880 MNBGMWLBTQHLOC-CHAGWJKLSA-N 485.496 5.961 5 1 JKBF COC(=O)/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 238738958 SLFLEAITCHGGJK-DGGRZXMWSA-N 472.713 9.418 5 1 JKBF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc2ccc4cccc5ccc(c1CC3)c2c45 587206302 CGHWYOIBVLNJQX-UHFFFAOYSA-N 457.532 8.109 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c1)O2 587410248 MDNGQMCWUSIKQL-FQEVSTJZSA-N 485.359 6.106 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(ccc4ccccc43)oc2=O)N1 587838126 AKVNQWHHAFDAHP-RKNYENMMSA-N 452.323 5.646 5 1 JKBF O=C(O)c1cccc2c1CCN[C@@]21c2ccccc2-c2ccc3sc4ccccc4c4ccc1c2c34 963143055 KSEWZKHCZZYFOF-YTTGMZPUSA-N 483.592 7.324 5 1 JKBF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2ccc([N+](=O)[O-])cc2)c1 587362050 DYLSVENUBFTPKF-QFIPXVFZSA-N 464.477 6.212 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)[C@@H](C2)C3=O 587453293 RIIWYTFOIPRAJS-MBSDFSHPSA-N 453.903 5.897 5 1 JKBF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc([N+](=O)[O-])c(C)c1 587512131 UNRJYTCYYOXOOC-MHZLTWQESA-N 473.525 6.076 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 587573727 XBJXMJFQHYEAKH-RPLLCQBOSA-N 487.439 5.721 5 1 JKBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587843158 HEXTTWDSHLSUOV-FATZIPQQSA-N 487.394 6.580 5 1 JKBF COC(=O)c1ccc(-c2c3nc4ccc(OC)cc4c-3ccn2Cc2ccc([N+](=O)[O-])cc2)cc1 1857542888 OENIMPNEXKCCPE-UHFFFAOYSA-N 467.481 5.560 5 1 JKBF CC[C@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@+](C)(C(C)C)C2 1857620029 YUJQPTMYSRETHW-ADKRDUOOSA-O 471.716 5.653 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c4ccccc4c4ccccc4c3[nH]1)N2 587033333 YQVBAAWMDZTGEP-RVZJCZPVSA-N 470.623 6.996 5 1 JKBF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c5ccccc5c5ccccc5c4[nH]3)c(Cl)cc12 587078140 IQIIFVBIQYKKJL-INIZCTEOSA-N 482.967 7.722 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cccc(OCc4ccccc4)c3[nH]2)CC1 587269191 ICCLUNIQZOORRS-UHFFFAOYSA-N 456.502 5.070 5 1 JKBF O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)c([C@@H]2c3ccsc3CCN2Cc2ccco2)c1 962701409 DAJUYHMVKPQRTK-QHCPKHFHSA-N 491.535 6.176 5 1 JKBF COc1ccc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@@H]2CCCCN2)cc1OC 29415911 DGQWBICSABLXJR-HNNXBMFYSA-N 487.940 5.097 5 1 JKBF O=c1c2ccccc2n(CCCc2ccccc2)c2cc(OCCCc3ccccc3)cc(O)c12 64539837 DEDMFZQGMGIZKN-UHFFFAOYSA-N 463.577 6.505 5 1 JKBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136053 AXAZQQPEKYILQR-SFTDATJTSA-N 487.604 5.585 5 1 JKBF CCN(CC)c1ccc2c(-c3ccccc3C(=O)OCCF)c3ccc(=[N+](CC)CC)cc-3oc2c1 95564923 QGFGTQBUZAGRRG-UHFFFAOYSA-N 489.611 5.989 5 1 JKBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 587160202 LRGBSWNECBRXRO-UHFFFAOYSA-N 480.399 5.097 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)O2 587381100 FOXUSAFYHIIZQQ-FQEVSTJZSA-N 474.460 6.362 5 1 JKBF CSc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587533128 RACJXCAYWLCSMF-HHHXNRCGSA-N 489.549 5.803 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)N1 587748151 VDFZCSUIFYZWRI-MCMMXHMISA-N 487.325 5.405 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3ccc4cccc5ccc2c3c45)N1 587813119 ASPRMOLRNZVQNL-YVORESIASA-N 458.374 7.283 5 1 JKBF O=[N+]([O-])c1cccc(N=c2[nH]c(-c3cccc(C(F)(F)F)c3)nc3ccc([N+](=O)[O-])cc23)c1 1857745912 IZFCRJANPOSXGS-UHFFFAOYSA-N 455.352 5.298 5 1 JKBF Cc1nc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163851 UVPSCXAUROOJTK-UHFFFAOYSA-N 485.491 6.423 5 1 JKBF C[N+](C)(C)CCCCCCCCCCn1c2cc(=N)ccc-2c2ccc(N)cc2c1-c1ccccc1 584905530 VMVDKYYLBXQMAD-UHFFFAOYSA-N 483.724 7.302 5 1 JKBF in-vitro CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc(F)c2[nH]1 587055860 QSIRSHGYODDVNP-OAHLLOKOSA-N 469.698 5.153 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c12 587060640 KZEPNLWMNHXVID-UHFFFAOYSA-N 479.721 6.769 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587063134 FGONUKHWVWEUIR-UHFFFAOYSA-N 458.699 6.133 5 1 JKBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1cccc(Cl)c1 587071753 PWWSUHZFPAGYRB-AWEZNQCLSA-N 451.310 5.586 5 1 JKBF CC(C)(C)OC(=O)NCc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(C2CC2)n1 587231908 HPCXGIYCNFTKPY-UHFFFAOYSA-N 464.569 6.833 5 1 JKBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587266797 OZNHAWIZOCUEJG-GTJPDFRWSA-N 490.501 5.190 5 1 JKBF COc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 587577242 RFMGODWWJKSFHA-IGKIAQTJSA-N 485.448 5.804 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 587846135 GQJGHFDTVRSCID-QKVFXAPYSA-N 461.356 6.023 5 1 JKBF CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163487 IIWOMVYVSXFAOC-JTSKRJEESA-N 463.582 6.739 5 1 JKBF Cc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 105198109 PZQHVBRRZMFLGS-SMIBBHEZSA-N 463.607 6.275 5 1 JKBF O=C(Nc1ccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1)c1ccc(Br)o1 587007419 LCBCHNUWBDHFFB-UHFFFAOYSA-N 498.340 5.858 5 1 JKBF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c(F)c2)c1 587138237 DLBXEHVSBKMQCN-UHFFFAOYSA-N 452.420 5.970 5 1 JKBF C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587532508 OHRFDTACDCQVDE-JWRCQZCYSA-N 454.522 6.016 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)N1 587697895 URKHUYANASAAER-PRWKNARSSA-N 464.722 5.564 5 1 JKBF COc1ccc(Cn2c(-c3ccc(C)cc3)c(Br)c(=O)c3cc([N+](=O)[O-])ccc32)cc1 1772570625 XNJLQQXENHNDRW-UHFFFAOYSA-N 479.330 5.705 5 1 JKBF O=[N+]([O-])c1cc([N+](=O)[O-])c(C=Cc2ccc3c(c2)OCO3)cc1C=Cc1ccc2c(c1)OCO2 2356842393 NGMRWNUPBHUVGP-UHFFFAOYSA-N 460.398 5.301 5 1 JKBF CC(C)(C)c1ccc(CNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 2483531 LAPDZYWNUAEXPJ-UHFFFAOYSA-N 469.969 6.428 5 1 JKBF O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(C(=S)OCCOc1ccccc1)c1ccccc1 3648423 AALXKVVQEKWNSH-UHFFFAOYSA-N 456.907 5.276 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2ncc(-c3ccccc3)s2)cc1 82174083 MSKAZYSMYKJORQ-UHFFFAOYSA-N 497.555 6.636 5 1 JKBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCc2ccc(-c3ccccc3)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 169723592 YOLJACOKHSYUOL-VPUSJEBWSA-N 498.535 5.627 5 1 JKBF O=[N+]([O-])c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 587075335 HSJKEILQZWEXKU-DTQAZKPQSA-N 452.901 6.827 5 1 JKBF COc1ccc(Cl)c(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2F)c1 587142785 CYUSMOWQDGXGPZ-UHFFFAOYSA-N 454.892 6.794 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c4ccccc4c4ccccc4c3[nH]2)CC1 587269528 DDPIGCWMUDLRRZ-UHFFFAOYSA-N 450.498 5.797 5 1 JKBF COC(=O)c1cc(-c2c(-c3ccc4c(c3)OCO4)noc2-c2ccsc2)cc([N+](=O)[O-])c1 12474204 UPELTXAOZOSVLE-UHFFFAOYSA-N 450.428 5.161 5 3 JKBF C[N+](C)(C)c1ccc(CC(=O)OCCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1 27072924 WLSCDYWWOXLYLN-UHFFFAOYSA-N 452.575 5.483 5 1 JKBF O=C(OCCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 28650652 QWCNWPIATXKXKM-UHFFFAOYSA-N 488.584 5.802 5 1 JKBF O=[N+]([O-])c1ccc(NC(=S)Nc2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)cc1 71330564 VJRVITGLISPZCS-UHFFFAOYSA-N 489.607 6.804 5 1 JKBF O=[N+]([O-])c1nccn1CCCN(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C(F)(F)F)cc1 73196759 RREKJXPLSSBETA-UHFFFAOYSA-N 486.416 5.921 5 1 JKBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135325 ZVGWHKFXHKHZPG-WCIQWLHISA-N 465.598 5.185 5 1 JKBF CCCC(CCC)NC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169337932 SZAGKXFDHPFQKQ-QHCPKHFHSA-N 471.485 7.622 5 1 JKBF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 586949430 WFRQBZCGANERAQ-UHFFFAOYSA-N 487.335 5.010 5 1 JKBF CCCOc1cc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2cc1Br 586979488 DGYGCHOIIALMEG-UHFFFAOYSA-N 469.133 5.760 5 1 JKBF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587231398 QUEOPSJMCRCPAH-UHFFFAOYSA-N 472.548 6.759 5 1 JKBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(-c2ccccc2)ccc1-c1ccccc1 587944011 VVUHBBOSRBWNPS-UHFFFAOYSA-N 451.295 6.930 5 1 JKBF C[C@@H](COc1ccc([N+](=O)[O-])cc1Cl)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 198905855 USMGQCVTFJRLED-OAQYLSRUSA-N 495.019 5.911 5 3 JKBF O=c1c2ccccc2n(Cc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c2ccccc12 40936940 WKKATJBENFZAOT-UHFFFAOYSA-N 497.594 7.361 5 1 JKBF O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)nc3ccc(O)c1c23 586987637 PLGWDAWNYZPDGW-UHFFFAOYSA-N 474.472 6.306 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 587750861 JXWURPITCNSURH-PSLXWICFSA-N 471.326 5.699 5 1 JKBF Cc1c(F)ccc2c1[C@]1(NCC2)c2ccccc2CC[C@@H]1c1cc(Cl)c([N+](=O)[O-])cc1Cl 962371006 FXPORQLIZYFKHS-CLOONOSVSA-N 471.359 6.468 5 1 JKBF O=[N+]([O-])c1cc(-c2nnc(SCc3ccc(Cl)cc3)n2Cc2ccccc2)cc([N+](=O)[O-])c1 1857567101 XKPQSCHOVGUDFG-UHFFFAOYSA-N 481.921 5.756 5 1 JKBF O=C(NCc1c(Cl)c(Cl)cc(Cl)c1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 2885471 BPXPNWUTEUHQFS-UHFFFAOYSA-N 479.703 5.704 5 1 JKBF in-vitro CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136068 YRHYQPDMRTWOFH-PMACEKPBSA-N 467.614 5.288 5 1 JKBF CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 82195909 SVSDXZSUSVGZIJ-BEFAXECRSA-N 465.019 5.673 5 1 JKBF Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\C2CCOCC2)cn1 95574521 HMDLCTKFWGRLLV-HMZBKAONSA-N 496.014 6.310 5 1 JKBF O=[N+]([O-])c1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1[N+](=O)[O-] 587152582 AHCGSOYOBUCRJX-UHFFFAOYSA-N 491.464 5.058 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc([N+](=O)[O-])c(Cl)cc1Cl)CC2=O 587461740 SNKGBYGRGIGZIS-QFIPXVFZSA-N 482.316 5.374 5 1 JKBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OCc1ccccc1 587507252 BLPVKDAOPGRXFG-DEOSSOPVSA-N 459.498 5.768 5 1 JKBF CCOC(=O)c1c(Cc2ccccc2[N+](=O)[O-])[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627649 GVKNRDRRQVRXFR-UHFFFAOYSA-N 460.330 5.881 5 1 JKBF CC(C)c1nn(C)c2c1[C@]1(NCC2)c2ccccc2CC[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1 962917130 ZICCAFPTFBQUJC-CLOONOSVSA-N 450.970 5.224 5 1 JKBF COc1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc1Cn1cc(Cl)c([N+](=O)[O-])n1 963106299 KQWWAIQDVGYEDE-LJQANCHMSA-N 467.740 5.044 5 1 JKBF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c(=O)c3c4c(c(O)cc3oc12)OC(C)(C)C=C4 14829678 GOLPEIAEOMFCOY-CXUHLZMHSA-N 462.542 6.482 5 1 JKBF biogenic,in-vitro O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 27757130 RKWZXCISNJDOFM-UHFFFAOYSA-N 459.255 5.726 5 1 JKBF Cc1cc([N+](=O)[O-])c(Cl)cc1OCCCCCCCCCCN1C(=O)c2ccccc2C1=O 58575389 NYOSDXZSNLVXHN-UHFFFAOYSA-N 472.969 6.352 5 1 JKBF C[C@](C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1 84544658 RVXKMYHNDBHDLD-ZOGAMXBRSA-N 477.669 5.009 5 1 JKBF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587049149 HPHOBVZLYFUPSK-UHFFFAOYSA-N 456.936 7.800 5 1 JKBF Cc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587062607 YGWDIPOAKRCUJR-UHFFFAOYSA-N 489.970 6.390 5 1 JKBF CCOc1cc(/C=C\c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1OC(F)F 587131372 ZDHQOTHQRVZZST-YWEYNIOJSA-N 454.227 5.404 5 1 JKBF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cccc([N+](=O)[O-])c1 587513949 VUOHGUUKFMBHNV-SANMLTNESA-N 459.498 5.768 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 587696543 PQLIETQGCTUPHS-SBKAZYGRSA-N 465.706 6.033 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2[N+](=O)[O-])(c2ccccc2)N1 587746407 JUOAVLQTKXLJNE-QHGZJZKPSA-N 467.338 5.988 5 1 JKBF COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587749508 YXTGNCRWFIANLA-IZHWHUGBSA-N 485.353 5.526 5 1 JKBF Cc1c(F)ccc2c1[C@](C)(c1cc([N+](=O)[O-])c(Sc3cccc(Cl)c3Cl)s1)NCC2 962147311 OQEDZHSNJFNSHG-NRFANRHFSA-N 483.417 6.971 5 1 JKBF COc1cc(C(=O)c2cn(-c3cccc(F)c3)cc2-c2ccccc2[N+](=O)[O-])cc(OC)c1OC 1857575089 BNNCYPLDZRIJOR-UHFFFAOYSA-N 476.460 5.448 5 1 JKBF Cc1c(CCOC(=O)CC23C[C@H]4C[C@H](CC(C)(C4)C2)C3)sc[n+]1Cc1ccc([N+](=O)[O-])cc1 13154353 OKTFAXLIKFXMON-JGSRLKPESA-N 469.627 5.383 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587149903 IQXXAQIICJPKMU-IBGZPJMESA-N 460.234 5.680 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3cc(F)ccc3[N+](=O)[O-])c1)CC2=O 587467774 RPAUTKNOILJRPL-XMMPIXPASA-N 481.476 5.686 5 1 JKBF Cc1c(OC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c1oc(=O)c1ccccc12 587531190 JHACAWGNCYJILT-GDLZYMKVSA-N 454.522 5.936 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 587550788 YNCHYTXORGPIID-JYFHCDHNSA-N 489.867 6.449 5 1 JKBF COc1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2nc3ccccc3n2C(F)F)cc(OC)c1OC 587646554 UTRNAUAKYUVXRG-UHFFFAOYSA-N 494.454 6.181 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)N1 587691880 DVAUJZDCEKNEMR-GIPWTMENSA-N 464.722 5.564 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])C(C)(C)OC2(C)C 587747793 QCVKCGYIYPFPPO-UBAQGYEUSA-N 489.385 5.897 5 1 JKBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(N2CCCCC2)ccc1[N+](=O)[O-] 587866125 UCAHRMRVGPVSPN-UHFFFAOYSA-N 488.466 5.555 5 1 JKBF CC1(C)c2ccccc2N(Cc2ccccc2)[C@@H]1C=Cc1cc(Br)cc([N+](=O)[O-])c1O 2356872718 VOYDICDUSOYHNH-HSZRJFAPSA-N 479.374 6.443 5 1 JKBF CC(=O)C[C@H](O)/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 14685502 IMAVGDVEEYAALY-KHEUUHAXSA-N 490.728 7.834 5 1 JKBF endogenous,in-man COc1cc2cc(C(=O)C[C@@H]3CC[C@H](O)C[N+](C)(Cc4ccccc4)CC3)sc2cc1OC 36286921 ZFPAYSSATREUMU-DMECFNKFSA-N 468.639 5.299 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NC3CCCCC3)ncc2-c2ncc(-c3ccccc3)s2)cc1 82174166 POUSUPNEAAWBGC-UHFFFAOYSA-N 457.559 6.587 5 1 JKBF CC(C)/N=c1\cc2n(-c3ccc(C(F)(F)F)cc3)c3ccccc3nc-2cc1Nc1cccnc1 95572870 NPSRHBOTCULEOO-AWSUPERCSA-N 473.502 6.597 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(I)ccc3Cl)[nH]c12 587182816 NUZLMCVWYWGCMH-UHFFFAOYSA-N 478.471 5.159 5 1 JKBF CCCOc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cc1Br 587270167 RDFZMXZFXLACGZ-UHFFFAOYSA-N 487.354 5.042 5 1 JKBF O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)c1coc2cc([N+](=O)[O-])ccc12 587280426 WPMUUWZIJMHGLS-UHFFFAOYSA-N 458.377 5.362 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc13)CC2=O 587469813 GFKWZXYFWDEWCY-AREMUKBSSA-N 470.525 6.271 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 587751124 KTZFIGSDXIDHIC-NSYGIPOTSA-N 483.381 6.297 5 1 JKBF COc1cc(/C=C\c2ccc(OC)c3c2O[C@@](C)(c2ccc([N+](=O)[O-])s2)O3)cc(OC)c1OC 1911576966 LNKFPLARZJVGBB-WNWNSBFKSA-N 485.514 5.505 5 1 JKBF CCCCC[C@@H](CC(=O)CC(=O)Cc1ccc2c(OC)cc3cc(CC=C(C)C)ccc3c2c1)OC 2356505149 UGJOLPUVBSLQDP-NDEPHWFRSA-N 488.668 7.567 5 1 JKBF CC(C)CCCCCCCCCCC(=O)O[C@@H](C)c1cccc2nc3c(C(=O)O)cccc3nc12 14451297 GHXFKBFZYYLTEC-NRFANRHFSA-N 478.633 7.642 5 1 JKBF biogenic O=[N+]([O-])c1cccc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2nc3ccccc3s2)c1 82163429 FSZLMECCIVNMJK-UHFFFAOYSA-N 471.517 6.122 5 1 JKBF CC(=O)Oc1ccc2ccc(=O)oc2c1Cc1c(N2CCCCC2)oc2ccc3ccccc3c2c1=O 101145758 ANRTWDUZUSWQOI-UHFFFAOYSA-N 495.531 5.559 5 1 JKBF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)cc1 586931594 ZCVMLYGULCLKMR-UHFFFAOYSA-N 479.565 5.460 5 1 JKBF Cc1nc2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2cc1Br 587035350 PGHPYCABKZBKKV-UHFFFAOYSA-N 498.387 6.365 5 1 JKBF COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143496 FXKGNRGKRIGNTI-UHFFFAOYSA-N 464.456 5.839 5 1 JKBF COC(=O)c1ccc(Oc2ccc3nc(-c4cc([N+](=O)[O-])ccc4N4CCCC4)[nH]c3c2)cc1 587269958 ULBOKLBIPVHDDI-UHFFFAOYSA-N 458.474 5.317 5 1 JKBF CSc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587533143 RACJXCAYWLCSMF-MHZLTWQESA-N 489.549 5.803 5 1 JKBF C[C@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547396 LHDVLFAIECZRJC-SIKLNZKXSA-N 459.376 5.282 5 1 JKBF COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c([N+](=O)[O-])c1 587744278 CRWRASXZJQAXTC-WIUDPPPLSA-N 461.287 5.389 5 1 JKBF CCN(CC)CCC[C@@H](C)N=c1cc(C=Cc2ccc([N+](=O)[O-])cc2)[nH]c2ccc(OC)cc12 1857621935 XWBADQOPXPRKBX-HXUWFJFHSA-N 462.594 5.666 5 1 JKBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1N 4080530 IGZVWFOAFIPLSE-VXKWHMMOSA-N 458.946 5.161 5 1 JKBF OCCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 27649357 OCLVPYBBICTOTA-JJKYIXSRSA-N 489.406 6.464 5 1 JKBF C[N@+]1(Cc2ccc(-c3ccccc3)cc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 254132927 QDCILXFPWMMNQY-VLVSLWAVSA-N 456.606 5.313 5 1 JKBF Cc1ccc([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587340115 VAPRUWHGVKROFI-QDKQQGQTSA-N 462.477 5.078 5 1 JKBF C[C@]1(COc2ccc3c(c2)oc(=O)c2ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361223 YEFRMLLKEFUCIQ-POURPWNDSA-N 496.490 5.988 5 1 JKBF O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)Nc1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc1 28563133 IGICTQFLNYNIHU-UHFFFAOYSA-N 489.495 6.325 5 1 JKBF Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccccc1[N+](=O)[O-])c1c(O)ccc2ccccc12 72118592 JVRZVDYYJYFCHD-SANMLTNESA-N 451.482 5.421 5 1 JKBF Cc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163628 ZHBBRBHHOVIOPG-UHFFFAOYSA-N 461.503 5.133 5 1 JKBF Cc1onc(CN2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] 95755469 KUFWDPKHDBZDSB-UHFFFAOYSA-N 461.349 5.105 5 1 JKBF CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 96905788 OMHVJTVYTGPUPG-RUZDIDTESA-N 469.476 5.284 5 1 JKBF N=c1ccn(Cc2ccc3ccc4ccc(Cn5ccc(=N)c6ccccc65)cc4c3c2)c2ccccc12 139334751 CFHLJLPLEIYIHZ-UHFFFAOYSA-N 490.610 6.958 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(C(=O)c3cccc4ccc5cccc2c5c34)[C@H]1c1ccc(F)cc1 587355092 SGJFOKQHNWXGFO-FIBWVYCGSA-N 460.460 6.288 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1SC1CCCCC1 587611196 FTIFDCULUZVUHL-JYFHCDHNSA-N 477.538 6.428 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)N1 587752318 QZIOZIUAEKCEEC-MCMMXHMISA-N 481.325 5.435 5 1 JKBF O=c1[nH]c2ccccc2n1C1CCN(CCCN(c2ccccc2)c2ccc([N+](=O)[O-])cc2)CC1 27712324 ZMPQNPDQXIDKPL-UHFFFAOYSA-N 471.561 5.103 5 1 JKBF CCCCCCN(CCCCCC)C[C@@H](O)c1cccc2ccc3cccc(Br)c3c12 169337069 UMMJCRKPTGDCSR-AREMUKBSSA-N 484.522 8.252 5 1 JKBF O[C@H](CC[C@@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169338506 WQCSUFPQZUJUAU-HTAPYJJXSA-N 455.442 6.986 5 1 JKBF CC[N+](CC)(C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(C)C)C[C@H]3CC[C@@H]12)C[C@@H]1CO1 299840605 VOGJOTZFTRGYEH-HQWZRAQLSA-N 492.765 5.441 5 1 JKBF C=Cc1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1 586881070 KIDLPERYSNZBSP-UHFFFAOYSA-N 474.472 6.155 5 1 JKBF O=[N+]([O-])c1cc(/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)ccc1Cl 587048492 WISDBPUQEUHJQY-RQOWECAXSA-N 458.497 5.215 5 1 JKBF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587056802 UVSQBGHIPCYXHF-LLVKDONJSA-N 489.271 6.618 5 1 JKBF COc1cccc(-c2cc(CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)nc3c2oc2ccccc23)c1 587363107 PHYLVBGSTNYLMX-UHFFFAOYSA-N 483.480 5.755 5 1 JKBF Cc1c(O[C@H](C)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c1oc(=O)c1ccccc12 587534298 YTCHAFLRVCYVEF-VPTFNQTCSA-N 468.549 6.325 5 1 JKBF Cc1ccc2oc3nc(C)c([C@@]4(C)N[C@H](C)Cc5cc(Br)c(F)cc54)cc3c(=O)c2c1 587777489 IEJSMHHEYDCZSP-YMXBGEKHSA-N 481.365 5.657 5 1 JKBF CCCCCc1c(Br)c(=O)c2cc([N+](=O)[O-])ccc2n1Cc1ccc(OC)cc1 1772624223 ZUJLXCWZRRNOEJ-UHFFFAOYSA-N 459.340 5.462 5 1 JKBF O=[N+]([O-])c1ccccc1C=Cc1cc(C=Cc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-] 2356831698 VYMJPXODFITBKT-UHFFFAOYSA-N 462.374 5.660 5 1 JKBF CCc1c([C@@H](C)c2c(F)cccc2F)nc(SC/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O 28862986 CNBYEBZABPYAED-GJBLVYBDSA-N 457.502 5.476 5 1 JKBF CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163489 IIWOMVYVSXFAOC-VGSWGCGISA-N 463.582 6.739 5 1 JKBF CCCCCc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163565 KHNYCCUWUGUFNP-UHFFFAOYSA-N 491.979 7.013 5 1 JKBF O=C(CSCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114315 REJZYBJQZJQRGN-UHFFFAOYSA-N 489.273 5.124 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)O)c(F)c3)cc1[N+](=O)[O-])CC2=O 587467485 SPNGCVBJYSTBGT-HSZRJFAPSA-N 465.433 5.464 5 1 JKBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2c(Cl)cccc2Cl)c1O 587943396 ZDDSYMWQTRICLU-UHFFFAOYSA-N 476.085 5.981 5 1 JKBF C/C(=C/c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C1CCCCC1 587968522 RJYMUEZBSIMAKT-WJDWOHSUSA-N 494.547 6.829 5 1 JKBF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 963180422 LRJNVKVEMNYOSG-UGKGYDQZSA-N 494.828 5.297 5 1 JKBF CCCCNC(=O)c1ccc([C@@H]2CC(=O)N(Cc3ccccc3[N+](=O)[O-])c3ccccc3S2)cc1 1857649040 REEZZYJOUMRVAK-VWLOTQADSA-N 489.597 5.895 5 1 JKBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC(CCN2CCC(c3c[nH]c4ccccc34)CC2)CC1 45323344 NEEJWLISCLQDPL-JXMROGBWSA-N 486.616 5.598 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc([N+](=O)[O-])c1 82135234 WVANSMCERHWEFZ-UHFFFAOYSA-N 461.566 5.115 5 1 JKBF O=C(c1c(Nc2cc(Cl)ccc2Cl)nc2c(Cl)ccc([N+](=O)[O-])c2c1O)C1CC1 84602237 UAKYTFGRDHZNCK-UHFFFAOYSA-N 452.681 6.145 5 1 JKBF O[C@@H](C[C@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2cc(Br)ccc12 169338901 GJNBOZXUYBQNPG-SZNDQCEHSA-N 453.207 6.628 5 1 JKBF CC[N+](CC)(CC)C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@H](C(C)C)C[C@@H]3CC[C@@H]12 299818591 AEKZRHRRTOYWFU-ATXNOOGWSA-N 464.755 6.062 5 1 JKBF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587168450 WORFGSKLHXNGCQ-UHFFFAOYSA-N 475.530 5.328 5 1 JKBF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587195211 DUKQGHWPSFQMIN-UHFFFAOYSA-N 461.316 5.580 5 1 JKBF CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431810 GWPMXOMPKJAVKU-MNNSJKJDSA-N 499.519 6.089 5 1 JKBF CC(C)OC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587744791 FQVXPSRLSWTNCC-CYTQDTTDSA-N 491.357 5.281 5 1 JKBF O=C(c1cc2ccccc2o1)N1CCN(C(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 653838788 KBBDWIOVMCXBDZ-JOCHJYFZSA-N 470.485 5.072 5 1 JKBF Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962648298 WUHLOULLBLJYQL-PDDLMNHVSA-N 476.580 5.216 5 1 JKBF CC[C@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@@H]4O 64527815 PLCBQMOUSVCVMS-HTFOTCDZSA-N 481.552 5.283 5 1 JKBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135822 LRKGZOFBNMWCGC-HDICACEKSA-N 493.995 5.478 5 1 JKBF Cc1nc2c3ccccc3ccc2c2nc3c(ccc4ccccc43)c(-c3cc(O)nc4ccccc34)c12 103299575 MHHIDEWRBGWRIK-UHFFFAOYSA-N 487.562 8.472 5 1 JKBF O=[N+]([O-])c1cc2c(cc1[C@H]1Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C31)OCO2 104003298 OCBMHFGUCZLDLK-AKJBCIBTSA-N 455.470 5.953 5 1 JKBF CCCCC[C@H](CC(=O)CC(=O)Cc1ccc2c(OC)cc3cc(CC=C(C)C)ccc3c2c1)OC 238789883 UGJOLPUVBSLQDP-MUUNZHRXSA-N 488.668 7.567 5 1 JKBF C[C@]1(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501976 BBLODFNDMKPHRU-HHHXNRCGSA-N 461.489 6.072 5 1 JKBF O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)cc1 587578252 VOXQJYYBXUFTRN-JYFHCDHNSA-N 483.432 5.369 5 1 JKBF COc1c(O)cc2oc3c4c(cc(O)c3c(=O)c2c1CC=C(C)C)O[C@](C)(CC=C(C)C)C=C4 1857559344 HXNGHHMZQLUJNN-MUUNZHRXSA-N 462.542 6.395 5 1 JKBF O=C(c1ccc(Br)cc1)n1c2ccc(Br)cc2c2nc3ccccc3nc21 1860783 YQYVUGHGGUGFFK-UHFFFAOYSA-N 481.147 5.951 5 1 JKBF CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 73199074 DAASQZQRHBFNNF-QFIPXVFZSA-N 475.869 6.687 5 1 JKBF CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]2C1 195512969 VXTVSKBDSNWWFW-LTUHBCEUSA-N 471.557 5.909 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586969000 LYRFWODWVYSESC-UHFFFAOYSA-N 490.301 6.547 5 1 JKBF CC(C)COc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br 587047280 DYKCRDGIEUKWDW-GQCTYLIASA-N 450.720 6.092 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(OC(F)(F)F)c2[nH]1 587056654 SQRGNQOLUQKZRI-OAHLLOKOSA-N 456.808 5.150 5 1 JKBF CC[C@@H](C)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@+](C)(C(C)C)C2 1857620030 YUJQPTMYSRETHW-CQGGRAHPSA-O 471.716 5.653 5 1 JKBF CN(CCCCCCCCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1ccccc1 28641272 QDYNPKJXQNLYFL-UHFFFAOYSA-N 457.614 7.188 5 1 JKBF in-vivo COc1c(O)cc2oc3cc(O)c(C/C=C(\C)CO)c(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C 213579434 BXFCPUCGPCDZKT-BEQMOXJMSA-N 494.584 5.788 5 1 JKBF Cc1ccc2c3c(cc(-c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(F)c4)nc13)-c1ccccc1C2=O 586994650 AOQNPOSDHSWGBG-UHFFFAOYSA-N 490.490 7.048 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc4nc5ccccc5nc4cc3[nH]1)N2 587030888 JKDVIPVAFZQHPL-CFFVULROSA-N 472.599 5.786 5 1 JKBF O=C(Nc1ccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 587244310 NTNKADVJCGMNMK-UHFFFAOYSA-N 491.507 5.818 5 1 JKBF CCCc1c(-c2ccc(F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621064 MYJCDPIWJZMQAG-UHFFFAOYSA-N 483.521 5.644 5 1 JKBF Cc1cc2c(cc1F)[C@@](C)(c1ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccc(Cl)cc3)c1)NCC2 962369990 CPZSQHGEKUKSOK-XMMPIXPASA-N 488.968 5.079 5 1 JKBF O=[N+]([O-])c1cccc([C@@]2(c3ccc(F)cc3)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962963665 YIUGLWYELQSEJK-RUZDIDTESA-N 486.465 5.696 5 1 JKBF COc1ccc(N2N=C3c4cc(Cl)cc([N+](=O)[O-])c4NC[C@H]3[C@H]2c2ccc(Cl)cc2)cc1 1772655253 PFUZPZIQRUUZKI-AUSIDOKSSA-N 469.328 5.918 5 1 JKBF COc1c(OCC=C(C)CO)cc2oc3cc(O)cc(O)c3c(=O)c2c1CC=C(C)CCC=C(C)C 2356454914 AZOVHLSPQFLBKM-UHFFFAOYSA-N 494.584 5.919 5 1 JKBF CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3[nH]c-2c\c1=N/c1ccc(Cl)cc1 136850514 LWOJLHGUZZEVRZ-NTDHVJEVSA-N 473.407 6.912 5 1 JKBF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c3cccnc3c3ncccc3c2[nH]1 586999781 CMXJIKBFGFHEPI-KRWDZBQOSA-N 457.335 5.146 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@@H]2CCCC[C@H]21 587026987 ODJSYNKRJXKKEU-OWAUWMPXSA-N 465.622 7.006 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(OCc3ccccc3)c2[nH]1 587263234 KUYCQNDJRCYKPN-MRXNPFEDSA-N 461.474 5.401 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2)N1 587700932 UGGSKNRSJDFQSX-IPQOISQHSA-N 491.744 6.566 5 1 JKBF Cc1c(OC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc2c1oc(=O)c1ccccc12 587837913 LJNGXZHEQPPAFH-PTFIGZPYSA-N 496.376 5.985 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@@H](c1cccc2ccccc12)CC(=O)N3 1857643436 AUSVDUVRAYJCSG-HSZRJFAPSA-N 493.559 6.655 5 1 JKBF CC[C@H]1C[N@+]2(O)CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1NCCc2c1[nH]c1ccc(O)cc21 1911579453 DCDGNLWCZZPUMI-RQEDKGHLSA-O 492.640 5.017 5 1 JKBF COC(=O)/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 13371183 SLFLEAITCHGGJK-VCZKBJCCSA-N 472.713 9.418 5 1 JKBF endogenous,in-man O=[N+]([O-])c1ccccc1S(=O)(=O)n1c(SCc2ccccn2)nc2cc(Cl)c(Cl)cc21 26568847 OTOLMMBLKQHXKQ-UHFFFAOYSA-N 495.369 5.176 5 1 JKBF CCc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163576 GNDPGNWJBMBUAP-UHFFFAOYSA-N 473.602 6.647 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)cc2)cc1 587272196 PNIAACOIDCOZJD-UHFFFAOYSA-N 455.224 5.601 5 1 JKBF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2ccc([N+](=O)[O-])cc2)c1 587362049 DYLSVENUBFTPKF-JOCHJYFZSA-N 464.477 6.212 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)N1 587691878 DVAUJZDCEKNEMR-BIBXISHDSA-N 464.722 5.564 5 1 JKBF CC(=O)C[C@@H](O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[C@H](O)CC1(C)C 2356738291 IMAVGDVEEYAALY-XDFJSJKPSA-N 490.728 7.834 5 1 JKBF CC1=Nc2ccccc2/C1=C/NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 103767259 CTLLPOOSDSNTFN-CPNJWEJPSA-N 483.937 5.113 5 3 JKBF O=[N+]([O-])c1ccc([C@@H]2N=C(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)S2)cc1 98082623 OZZHYVFHFWUAFW-RBBKRZOGSA-N 450.470 5.826 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 586965564 LTWSDWKGQBAGJN-UHFFFAOYSA-N 485.367 5.043 5 1 JKBF Cc1c(Cl)ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 587034945 KOBOTLDYYSYVKG-UHFFFAOYSA-N 452.948 6.861 5 1 JKBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587577651 TZOYEZPKURULIM-WIOPSUGQSA-N 459.410 5.272 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)N1 587695520 NWUNRMRRTKYDQL-BIBXISHDSA-N 464.722 5.564 5 1 JKBF CC1(C)CCC[C@@]12N[C@H](C(=O)Nc1ccc3[nH]c4ccccc4c(=O)c3c1)Cc1ccccc12 963024387 QZANVRHVFOJRRD-SVEHJYQDSA-N 451.570 5.240 5 1 JKBF O=[N+]([O-])c1ccc(Cl)c([C@H]2CC(c3cccc4ccccc34)=Nc3ccccc3[S@]2=O)c1 5810699 YSEGBBFOGYVBHK-GOXGLGGOSA-N 460.942 6.775 5 1 JKBF C[C@H](OC(=O)c1c(Cl)cc(Cl)cc1Cl)c1cccc2nc3c(C(=O)O)cccc3nc12 29470534 KNJUJRXKNRBBEE-JTQLQIEISA-N 475.715 6.359 5 1 JKBF Cc1ccc(SC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1 36242471 KBYHRISSWBEZAH-QODKUXPHSA-N 486.590 5.710 5 1 JKBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149125 QUGJPAGTGNQYLW-RBUKOAKNSA-N 459.550 5.315 5 1 JKBF CCCCNC(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1 82214804 DPLOTFKGDWSSEM-UHFFFAOYSA-N 473.455 5.213 5 1 JKBF CCN1CCC[C@H](NCc2c3ccccc3c(CN[C@H]3CCCN(CC)C3)c3ccccc23)C1 105476547 MNKRQQBDUQTENM-ZEQRLZLVSA-N 458.694 5.141 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cccc(Br)c3[nH]2)ccc1Sc1nc2ccccc2s1 587036066 ZLZRBMBPXUTGMM-UHFFFAOYSA-N 483.372 6.662 5 1 JKBF O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Oc2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587508420 OVAPWAQHNROHRH-DEOSSOPVSA-N 483.442 6.991 5 1 JKBF CCN(CC)CCNc1ccc(COC(=O)Nc2ccccc2)c2sc3ccccc3c(=O)c12 5487392 WCXUBVALLSZHIC-UHFFFAOYSA-N 475.614 5.917 5 1 JKBF O=[N+]([O-])c1cccc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c12 586971106 ULRDYDXKJOFUKK-UHFFFAOYSA-N 465.578 6.739 5 1 JKBF CC(C)CCOc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br 587048112 QWYYZRFZNSSELL-GQCTYLIASA-N 464.747 6.482 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c2ccccc2c(Cl)c2ccccc12 587551663 IDSSEKNNPPXWRR-UFHPHHKVSA-N 452.893 7.055 5 1 JKBF CCCCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccccc1[N+](=O)[O-] 13831923 UHDJSOGDIFLFON-XMHGGMMESA-N 453.564 5.735 5 1 JKBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135337 CKXODFYDRSDFNM-MOPGFXCFSA-N 491.567 5.496 5 1 JKBF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(OCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc(C)cc21 84652159 JQQVABDLPXUDTD-ROKPMTFOSA-N 466.578 7.754 5 1 JKBF CSc1ccc(-n2c3c/c(=N\C(C)C)c(Nc4cccnc4)cc-3nc3ccccc32)cc1 95576268 LISMACNBZVAECH-RMLRFSFXSA-N 451.599 6.300 5 1 JKBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326594 CNMCLGDEODPUOZ-NZQKXSOJSA-N 457.841 5.376 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)CC2=O 587459875 IRWDEBWJDPSNRT-VWLOTQADSA-N 481.888 5.514 5 1 JKBF Cc1[nH]c2cc(Cl)c(F)cc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587631420 LSBYQIMPXZLKCN-GOTSBHOMSA-N 478.863 5.727 5 1 JKBF O=C(O)c1cccc2c(Oc3ccc([N+](=O)[O-])cc3)c(-c3ccc(Br)cc3)[nH]c12 587638855 RMLGTLLINLMILX-UHFFFAOYSA-N 453.248 5.996 5 1 JKBF COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587747586 ORICZTNZEJIMEO-IZHWHUGBSA-N 485.353 5.526 5 1 JKBF Cc1oc(-c2cnc(NCc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163809 MERRCONUAAUBKC-UHFFFAOYSA-N 463.497 6.294 5 1 JKBF CC1=C(c2ccc([N+](=O)[O-])cc2)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 587513844 USEIVWODFSHKTE-MUUNZHRXSA-N 469.493 5.864 5 1 JKBF Cc1c(O[C@@H](C)[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c1oc(=O)c1ccccc12 587534296 YTCHAFLRVCYVEF-PBYQXAPXSA-N 468.549 6.325 5 1 JKBF COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1[N+](=O)[O-] 587573930 DPMBPMYCKDIUGL-IGKIAQTJSA-N 497.459 5.457 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N1 587693462 DHRHDYVIDDGVQJ-VERVWZFWSA-N 491.744 6.566 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(=O)O)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587744375 DUUSGMVBYDWBII-ZAMGYDSWSA-N 485.309 5.021 5 1 JKBF COc1c(OCC=C(C)C)cc2oc3cc(O)cc(O)c3c(=O)c2c1CC=C(C)CCC=C(C)C 2356726625 ZOXSAWIMDZFTJC-UHFFFAOYSA-N 478.585 6.946 5 1 JKBF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 82134437 JLMZLFQUULKNKR-KSFYIVLOSA-N 479.968 5.626 5 1 JKBF Cc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163955 UEHPTJAJWBXTKF-UHFFFAOYSA-N 467.554 6.292 5 1 JKBF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 82214780 HFUOCTHRQDYNDP-ZQXNUZRRSA-N 491.636 5.843 5 1 JKBF O=C(Nc1ccc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1)c1ccc(Br)o1 587006907 DIGQSRVDYDQCQY-UHFFFAOYSA-N 475.686 5.323 5 1 JKBF CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c1 587108926 CQHILVOCROMNBU-UHFFFAOYSA-N 472.217 5.020 5 1 JKBF O=[N+]([O-])c1ccc(OCc2ccc([C@@H]3NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)o2)cc1 962949914 DETDGAPVNSLMTO-QHCPKHFHSA-N 488.462 5.526 5 1 JKBF O=[N+]([O-])c1cc(CSc2nnc(C3CCCCC3)n2Cc2ccccc2)cc(C(F)(F)F)c1 1857557564 XNSKHJVAUVUWRM-UHFFFAOYSA-N 476.524 6.593 5 1 JKBF CCc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 2480197 NFENPYMRIOZTNU-UHFFFAOYSA-N 493.922 6.244 5 1 JKBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NC2CCCCC2)cc1 2480506 XXWGKCRCBQYQKM-UHFFFAOYSA-N 455.898 5.641 5 1 JKBF CCCCc1ncc(/C=C(\Cc2ccc([N+](=O)[O-])cc2)C(=O)O)n1Cc1ccccc1Cl 13728137 RVIZMQOKPPHJHF-XMHGGMMESA-N 453.926 5.546 5 1 JKBF CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCC(C(=O)O)CC2)cc1[N+](=O)[O-] 13863833 YJOIYUZQCBNKOU-CSKARUKUSA-N 454.548 5.206 5 1 JKBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 82136162 JJVOMUKDTMCLRQ-UHFFFAOYSA-N 481.556 5.715 5 1 JKBF CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163806 ZXHNLXPDCRJHLP-HNNXBMFYSA-N 461.547 6.061 5 1 JKBF COc1ccc(-n2c(C)nc3c(-c4ccc(Cl)cc4)nc4ccccc4c3c2=O)cc1OC 98082269 PBDCZZVZTZFQOQ-UHFFFAOYSA-N 457.917 5.580 5 1 JKBF Fc1ccc(-n2cc(CN3CCN(c4nc5ccccc5c5ccccc45)CC3)nn2)cc1Cl 103247837 ULBAVRYIGOGIGY-UHFFFAOYSA-N 472.955 5.083 5 1 JKBF COc1ccc(-c2nnc(-c3ccc4nc(CN(C)c5cc(C)c(F)cc5[N+](=O)[O-])[nH]c4c3)o2)cc1 587136726 KKEUACQRPFLQRY-UHFFFAOYSA-N 488.479 5.281 5 1 JKBF CCOc1cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)ccc1Oc1nn(C)cc1[N+](=O)[O-] 963108428 LVVCCEPMBWTQSR-HXUWFJFHSA-N 463.321 5.061 5 1 JKBF CCOc1ccc([C@@H]2[C@@H]3CNc4c(cccc4[N+](=O)[O-])C3=NN2c2ccccc2)c(OCC)c1 1772582535 SEMGGODFDIDCGU-QFQXNSOFSA-N 458.518 5.400 5 1 JKBF COc1ccc(N2N=C3c4cc(Cl)cc([N+](=O)[O-])c4NC[C@@H]3[C@H]2c2ccc(Cl)cc2)cc1 1772655255 PFUZPZIQRUUZKI-WMZHIEFXSA-N 469.328 5.918 5 1 JKBF O=C(OCc1ccc(Cl)cc1)[C@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 26750945 BDQKQZBSECLBLP-HHHXNRCGSA-N 481.935 6.645 5 1 JKBF COc1cc([C@@H](CC(=O)c2ccc(C)cc2)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 49816723 CRLRDHCTZNQLSN-OAQYLSRUSA-N 450.491 5.355 5 1 JKBF C[C@@](C(=O)O[C@H]1C[N+]2(CCCOc3ccc(F)cc3)CCC1CC2)(c1ccccc1)N1CCCCC1 73196895 MOQMSSOYEONBHV-SXBWKGCASA-N 495.659 5.148 5 1 JKBF COc1ccccc1CNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163836 GJRLSCYDYAAERI-UHFFFAOYSA-N 495.564 6.463 5 1 JKBF O=C(Nc1ccc(N2CCC(c3ccccc3)CC2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1O 169339466 JVPJVQSRTOKLLN-UHFFFAOYSA-N 451.910 5.590 5 1 JKBF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3nc(-c4ccccc4[N+](=O)[O-])n[nH]3)ccc21 473105902 TUGGBJUJIAYJLI-MHZLTWQESA-N 487.535 5.302 5 1 JKBF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587167416 MQOZQQFYMWKJBR-UHFFFAOYSA-N 473.554 6.538 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(C)c1[N+](=O)[O-] 587268255 ZBIWRKDTARAFOU-UHFFFAOYSA-N 494.271 5.781 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@H]3c3cccs3)c2c1 1857640975 KPGFARWJYFGHAK-DEOSSOPVSA-N 484.046 5.610 5 1 JKBF O=[N+]([O-])c1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c(=Nc3ccc(O)c([N+](=O)[O-])c3)c2c1 1857746691 FSNCBCISRCCRAI-UHFFFAOYSA-N 471.351 5.003 5 1 JKBF Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C)cc4)c-3c/c2=N\C2CCCCC2)cc1 27651288 ONVUFNNDXKXSDB-XPXRSFDGSA-N 472.636 7.724 5 1 JKBF COc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccccc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1 34629306 IGVQITJKMBBURZ-UHFFFAOYSA-N 492.582 7.998 5 1 JKBF COc1ccc(Nc2cc3c(c([N+](=O)[O-])c2C(C)C)C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)C3)cc1 40873705 PNQCFDBKKZZNNE-GDKKVTFASA-N 466.578 6.466 5 1 JKBF Nc1nc(-c2ccc(Nc3cc(=O)oc4ccccc34)cc2)cc(-c2ccc([N+](=O)[O-])cc2)n1 103170313 SKMJSVMHZUDADM-UHFFFAOYSA-N 451.442 5.151 5 1 JKBF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3c4ccccc4c4ccccc4c3[nH]1)C(=O)OC2 586915042 GQDPBRNOULBOTL-ATVHPVEESA-N 492.575 6.684 5 1 JKBF O=C(c1cccc(OC(F)F)c1)c1c(-c2cccc(OC(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12 587646339 OSLFEDNNJFQLTM-UHFFFAOYSA-N 474.366 6.177 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 587710100 FHNJIOXIBUWJQX-YPMLDQLKSA-N 461.253 5.507 5 1 JKBF O=C1S/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 1772650848 IHYFSDHGLJGNFC-HAHDFKILSA-N 482.521 5.684 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c([nH]c5ccccc54)c(NCCN(C)C)c3c2)cc1 1857753922 KFVSPKBJBZTQNM-CMDGGOBGSA-N 452.627 6.735 5 1 JKBF COc1ccc(COC(=O)[C@H](c2ccc3c(c2)OCO3)c2c3ccccc3nc3ccccc23)cc1 26752133 XRBYSZSXEPYWSC-MUUNZHRXSA-N 477.516 6.001 5 1 JKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2ccc(Cl)cc12 169337839 XWUOPMDUJBLJRP-YWZLYKJASA-N 475.860 7.250 5 1 JKBF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(O)c1 587240190 GVKAXUMUGFRCDW-UHFFFAOYSA-N 481.306 5.096 5 1 JKBF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587247145 HUVKIQUMVYWSQG-UHFFFAOYSA-N 453.296 5.648 5 1 JKBF O=C(O)c1cc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c([N+](=O)[O-])c2)ccc1F 587507821 TXFTVNIQCHDKKH-XMMPIXPASA-N 461.445 5.684 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 587700020 UFNOPQKFGDPNJY-AMXDTQDGSA-N 491.744 6.566 5 1 JKBF COc1ccc2c(c1)CC[C@H](c1ccc([N+](=O)[O-])cc1)[C@]21c2cc(OC)ccc2CCN1C(C)C 962092262 NLFNFKSMNJDNNH-GGXMVOPNSA-N 472.585 5.852 5 1 JKBF Cn1cccc1CN1CCc2sccc2[C@@]1(Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 962371617 GXJGGCSRMCTWCR-AREMUKBSSA-N 478.017 6.193 5 1 JKBF CCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163413 NEHGSYHTEMINGO-UHFFFAOYSA-N 491.573 6.072 5 1 JKBF [O-][N+]12CC/C=C\C=C/CCCCCC[C@@H]3CN4CC/C=C/C=C\CCCC[C@@H](C[C@H](C1)[C@H]3CC4)C2 238767631 GFKASMRPDVZZHI-ABIQITGZSA-N 480.781 7.808 5 1 JKBF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(O)c1 587240914 ROAJRXPFANYJCI-UHFFFAOYSA-N 459.509 5.522 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc12 587748618 AOGKWHUAKVMLFT-LLVKDONJSA-N 484.281 5.211 5 1 JKBF O=C1CCC(=O)N1c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1 72120448 XIOIZNQRDRVRKZ-UHFFFAOYSA-N 485.465 6.518 5 1 JKBF CC(C)Cn1c(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl 586965555 RMTMKFCTKXVUOJ-UHFFFAOYSA-N 477.377 5.985 5 1 JKBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1F 587140330 ZHOOWTAVANCRMU-UHFFFAOYSA-N 454.561 5.592 5 1 JKBF CCCC[C@@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199588 LBFOYNDQRWUMBZ-DEOSSOPVSA-N 485.544 5.978 5 1 JKBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587262653 VSLTXUHFHQYYQE-UHFFFAOYSA-N 460.206 5.062 5 1 JKBF COc1cccc(-c2cc(-c3ccc4c(ccc5ccccc54)c3)nc3c2oc2ccccc23)c1 587365675 NTHYYNFPYIKUFR-UHFFFAOYSA-N 451.525 8.630 5 1 JKBF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O 587466320 KGLHCQNAOKDQIQ-XMMPIXPASA-N 455.869 5.954 5 1 JKBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)c1ccc([N+](=O)[O-])cc1 587513257 QYLLHELVUYVPNK-AREMUKBSSA-N 487.508 5.450 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 587697665 OQWWYYIWAMXALE-YTEVENLXSA-N 491.744 6.566 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 587748912 BOYDOLJXPZMSJG-LFPIHBKWSA-N 480.337 6.064 5 1 JKBF O=C(Nc1cccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)c1)c1cccc([N+](=O)[O-])c1 653768990 ZPJQHQQKVLZJQV-UHFFFAOYSA-N 462.416 5.403 5 1 JKBF Cc1c([C@@H](C)c2c(Cl)cccc2Cl)nc(SC/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O 28862957 LVWRSFHPJDIVID-IHVVCDCBSA-N 476.385 6.251 5 1 JKBF O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3c(Cl)cc(Cl)cc3c2=O)cc1 58575394 KQPYNSZSDXTKLG-RUDMXATFSA-N 482.279 5.469 5 1 JKBF O=[N+]([O-])c1cn(C[C@@H](OCc2ccc(F)cc2)c2ccc(Cl)cc2Cl)c(Br)n1 66078156 VVYYAEFLMYIRHG-MRXNPFEDSA-N 489.128 5.958 5 1 JKBF COc1ccc(CCNc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82149270 PTYOEQXGYXPZTM-UHFFFAOYSA-N 489.576 5.120 5 1 JKBF CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 82193360 MGFVHKLHIWYKLO-LPHOPBHVSA-N 464.657 5.585 5 1 JKBF COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)cc1 103935240 QJURPIXPJYCNBV-OQRWROFFSA-N 485.496 5.961 5 1 JKBF O=C(Nc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1)c1ccc(Br)cc1 586984864 VRLCULGVKKGXAL-UHFFFAOYSA-N 494.352 6.341 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C[C@H]2CCCC[C@@H]21 587027954 UWNOIIDVHLYDPI-SKDZVZGDSA-N 489.395 5.370 5 1 JKBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1F 587139071 DUJFDYGYDCNZHB-UHFFFAOYSA-N 454.561 5.592 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)CC2=O 587470198 JIMNLJXYZDRLLL-VWLOTQADSA-N 469.497 5.812 5 1 JKBF C[C@]1(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502254 DBQUJWWNMLHZHX-HHHXNRCGSA-N 461.489 6.072 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 587751292 LWQFPQRNCVZRAH-SSOJOUAXSA-N 483.381 6.297 5 1 JKBF Cc1c(OC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc2c1oc(=O)c1ccccc12 587836975 CQKFTIPUIPLDIX-RMKBEBRYSA-N 496.376 5.985 5 1 JKBF Cc1cc2c(cc1F)[C@]1(CC[C@H](c3ccccc3)C[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1)NCC2 962295255 CXFFUNZLUMNHTB-FBIATWESSA-N 464.968 6.788 5 1 JKBF Cc1cccc(Sc2cc(Cl)cn3c([N+](=O)[O-])c(CS(=O)(=O)c4ccccc4)nc23)c1 1857579119 YUDPEHKQNSAXKF-UHFFFAOYSA-N 473.963 5.329 5 1 JKBF CC(=O)Oc1ccc2c(c1)c1c(OC(C)=O)c3ccccc3c(OC(C)=O)c1n2Cc1cccc(C)c1 1663202 ARIJSAZJBZZOOY-UHFFFAOYSA-N 495.531 6.080 5 1 JKBF O=C(NCCN1CCCCC1)c1cc2c3ccccc3[nH]c2c2cc(Br)ccc12 73129510 IUFKXQJXIMFDKO-UHFFFAOYSA-N 450.380 5.453 5 1 JKBF CCOC(=O)/C=C(\C)COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 103207672 JMNMQIHCXASYGU-XYOKQWHBSA-N 487.814 5.726 5 1 JKBF Cc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1Br 587035908 WXIUSXFRUZEKQX-UHFFFAOYSA-N 497.399 6.970 5 1 JKBF COc1cccc(-c2cc(-c3cc([N+](=O)[O-])c(NC(C)=O)cc3O)nc3c2oc2ccccc23)c1 587363557 UCEWGDZAFYTTPB-UHFFFAOYSA-N 469.453 5.896 5 1 JKBF CC(C)=CC[C@H]1Cc2c(OCCCOc3ccc([N+](=O)[O-])cc3)cc(=O)n(CCCO)c2CC1(C)C 1857577689 YCPNBZKKYPCVNJ-NRFANRHFSA-N 498.620 5.084 5 1 JKBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 4295444 FHYBJRAFQCRGEB-YTFSRNRJSA-N 473.957 5.112 5 1 JKBF CCN(c1nc(C)cc(-c2ccccc2[N+](=O)[O-])n1)c1ccc(C(C)C)cc1Br 26004274 RRRMMBTYAZUZLE-UHFFFAOYSA-N 455.356 6.404 5 1 JKBF COc1cc2cc(C(=O)CCCCC3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC 36286849 YORGAYVXBTXTRA-UHFFFAOYSA-N 466.667 6.718 5 1 JKBF O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135910 VZHKQEIRRSRFOI-UHFFFAOYSA-N 485.466 5.355 5 1 JKBF O=C(Oc1ccccc1)N1CC[C@H](CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84689552 BZAJYARYSYITCR-LJQANCHMSA-N 485.993 5.833 5 1 JKBF COc1ccc(CCn2c(=O)c3ccccc3c3nc4ccc(NCc5cccnc5)cn4c32)cc1 103232345 YMIQVUIBWOJUPW-UHFFFAOYSA-N 475.552 5.061 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1nc3ccccc3c3ccccc13)(c1ccc(N(C)C)cc1)O2 587387422 PRQDRFVYHCMOFJ-YTTGMZPUSA-N 487.603 6.448 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 587571682 ONWHZIRMUUOQKX-BVAGGSTKSA-N 473.412 5.935 5 1 JKBF CCN1C(=O)[C@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc21 587649123 QLZSRYKZQCXDJV-MUUNZHRXSA-N 469.541 5.643 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)N1 587841536 BPCJFWSWBIOPDZ-DMZKTXOQSA-N 473.367 6.271 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)N1 587842014 CRAKPRBPGSIPHR-DMZKTXOQSA-N 479.415 6.545 5 1 JKBF COc1cc(O)ccc1-c1nnc(-c2ccc(-c3nnc(-c4ccccc4[N+](=O)[O-])s3)cc2)o1 1857600529 KGHPBTOLPOGTTK-UHFFFAOYSA-N 473.470 5.212 5 1 JKBF COc1c(O)cc2oc3cc(O)c4c(c3c(=O)c2c1CC=C(C)CCC=C(C)C)OC(C)(C)CC4 2356527499 CULSJOJLPQJAQK-UHFFFAOYSA-N 478.585 6.705 5 1 JKBF COc1ccccc1CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2480203 FCHSURCCAABTID-UHFFFAOYSA-N 481.867 5.648 5 1 JKBF Cn1c2nc3ccccc3c-2c(NCCCN2C(=O)CCS[C@H]2c2ccc(F)cc2)c2ccccc21 103081504 ZFSJMNIITHXUSO-LJAQVGFWSA-N 498.627 6.437 5 1 JKBF CC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105221 SWDGQFSCHOLBEG-HXUWFJFHSA-N 467.437 5.178 5 1 JKBF Cc1cc(N(C)Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c([N+](=O)[O-])cc1F 587137011 OQLYDMWGLQTNNS-UHFFFAOYSA-N 477.212 5.216 5 1 JKBF CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c12 587167786 DRSSNIPHQPEFBZ-UHFFFAOYSA-N 490.926 6.665 5 1 JKBF O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 587323359 JUSBYALJCKMGGT-FYYLOGMGSA-N 484.277 5.403 5 1 JKBF CCN1C(=O)[C@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3cccc([N+](=O)[O-])c23)c2ccccc21 587649450 VBWYWCQSLXNJQD-MUUNZHRXSA-N 469.541 5.643 5 1 JKBF Cc1ccc(S(=O)(=O)n2c3ccc(Br)cc3c3nc4ccccc4nc32)cc1 1860791 FRTBKOYUODVOMA-UHFFFAOYSA-N 452.333 5.046 5 1 JKBF NCc1cccc(-c2cccc(Oc3nc(Oc4cc([N+](=O)[O-])ccc4C(=O)O)c(F)cc3F)c2)c1 45318005 ZJZFGPWURUFMSL-UHFFFAOYSA-N 493.422 5.677 5 1 JKBF O=[N+]([O-])c1ccc(-c2csc(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)n2)cc1 98084894 RDTNJVZEVNENDL-JOCHJYFZSA-N 462.481 6.352 5 1 JKBF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 963186608 VHUPPWCTIBZFGA-IFMALSPDSA-N 493.869 5.391 5 1 JKBF CCOc1ccc(N2C(=O)[C@H](Oc3ccc(C=O)cc3)[C@@H]2c2c3ccccc3cc3ccccc23)cc1 1857539852 OOMCKYSBYVZZBT-IOWSJCHKSA-N 487.555 6.740 5 1 JKBF Cc1ccc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@@H]2CCCCN2)cc1C 29465953 PRSLJDQAGGFMKK-KRWDZBQOSA-N 455.942 5.697 5 1 JKBF CC(C)C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 58529347 ZFXRZGCZDCRDBC-QTRBIBNASA-N 495.664 5.816 5 1 JKBF CCCCNC(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1ccc([N+](=O)[O-])cc1 82147985 SKJORRIQTPJLRK-UHFFFAOYSA-N 473.455 5.213 5 1 JKBF CCOC(=O)c1c(-c2cc3c(ccc4ccccc43)oc2=O)nn(-c2ccccc2)c1C(=O)OCC 96928607 ZAVWYRMLDAPTKR-UHFFFAOYSA-N 482.492 5.152 5 1 JKBF O=[N+]([O-])c1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3cc(Cl)c(Cl)cc3s2)cc1 103194430 ZMFYJRAQJCXXLT-UHFFFAOYSA-N 484.328 5.707 5 1 JKBF Cc1c(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 103229663 ARPQYFKTHJEHBA-UHFFFAOYSA-N 468.429 5.381 5 1 JKBF O=c1c2ccc(Cl)cc2sc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccc3c12 473166798 GGPIJEVUPBOKIE-UHFFFAOYSA-N 471.025 7.075 5 1 JKBF CC[C@@]1(C)C[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586885961 APLBAAFEELTBAV-WINIVTDRSA-N 454.482 5.749 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)cc(C)c2[nH]1 586948840 PEXHCFSKOBQIPQ-UHFFFAOYSA-N 456.911 5.209 5 1 JKBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1Cl 587048106 QSZFLKBGCULOHR-RQOWECAXSA-N 462.609 5.956 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1F 587064860 WJYGPCMZPMHOEQ-UHFFFAOYSA-N 450.857 5.964 5 1 JKBF Cc1cc(Br)cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 587117809 GMWSCTOSXRMGCN-UHFFFAOYSA-N 480.244 5.473 5 1 JKBF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc([N+](=O)[O-])cc1Cl 587377799 ZHMFCNWQZLQCNE-QHCPKHFHSA-N 468.893 5.433 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2[N+](=O)[O-])N1 587682715 VAOLZAYWDVJACP-XYZCENFISA-N 458.125 5.057 5 1 JKBF O=C1CCC[C@]2(c3ccc(F)cc3C[C@H]3CCCN32)[C@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 963098452 GZMISUPMNMDFTJ-BSDZUQITSA-N 490.453 5.221 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@H]3c3ccccc3)c2c1 1857762471 JLILNKPQHAXTSV-SANMLTNESA-N 478.017 5.548 5 1 JKBF Cn1cncc1[C@](O)(c1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])cc(-c3ccccc3)c2o1 40862882 BGPYMDMNVGGKAW-RUZDIDTESA-N 459.889 5.679 5 1 JKBF CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163488 IIWOMVYVSXFAOC-VGOFRKELSA-N 463.582 6.739 5 1 JKBF O=[N+]([O-])c1cc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2cc1Cl 587011175 IHERKXAQAVTBDJ-UHFFFAOYSA-N 481.364 7.159 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587054039 IGRQGBBRYVLSEM-MRXNPFEDSA-N 458.799 5.410 5 1 JKBF O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3cccc4ccc5cccc2c5c34)[C@H]1c1ccc(F)cc1 587355091 SGJFOKQHNWXGFO-BHBYDHKZSA-N 460.460 6.288 5 1 JKBF COc1cccc(-c2cc(-c3ccc4cc5ccccc5cc4c3)nc3c2oc2ccccc23)c1 587365384 KDQJGHNNLDVSGA-UHFFFAOYSA-N 451.525 8.630 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1c(OC(=O)c3cccc([N+](=O)[O-])c3)ccc3ccccc13)CC2=O 587468832 DVWVYHLXLAAOFN-SANMLTNESA-N 497.503 6.332 5 1 JKBF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)CC2=O 587471763 UKNMSWJLCZGGNY-AREMUKBSSA-N 458.470 5.490 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)N1 587692984 BSNYKYLULMPKAD-WSVYEEACSA-N 495.732 5.945 5 1 JKBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 1857611612 FMMGSHMRYFYUSK-UHFFFAOYSA-N 484.943 6.714 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](c1sccc1C)CC(=O)N3 1857642957 UAIYRYXZMGMSIN-GOSISDBHSA-N 463.555 5.871 5 1 JKBF C=COCCCCCCCCCCCCCCCCO[P@@](=O)(O)OCC[N+]1(C)CCOCC1 26578815 OZNJNQPBHZKLRN-UHFFFAOYSA-O 492.658 6.218 5 1 JKBF CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(/C=C/c4c5ccccc5cc5ccccc45)oc23)[C@H](O)C1 218586878 TYEGPOQQLDRKLM-CBANFVEMSA-N 493.559 5.461 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587149906 IQXXAQIICJPKMU-LJQANCHMSA-N 460.234 5.680 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587261346 BGANGACWYJRGRK-SECBINFHSA-N 491.344 5.860 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])N1 587749155 XOZATMZFDXWYCW-IPQOISQHSA-N 485.309 5.485 5 1 JKBF Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163544 SCKYNRXBTNZQTC-IGKBFHKKSA-N 463.607 6.275 5 1 JKBF COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCn1ccnc1[N+](=O)[O-] 299819287 AQXXXWZJCCNLLD-UHFFFAOYSA-N 486.891 5.138 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)N2 587031700 PDGPDLYLOFWBQT-FVNYMESBSA-N 494.396 5.361 5 1 JKBF Cc1cc(N(C)Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c([N+](=O)[O-])cc1F 587136618 HKUNRHXHCMNBJK-UHFFFAOYSA-N 461.213 5.336 5 1 JKBF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 961782838 ZVJUEZBUVYDDQT-HSZRJFAPSA-N 492.601 5.959 5 1 JKBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2cc(C(C)=O)c([N+](=O)[O-])[nH]2)(C(Cl)(Cl)Cl)N1 962958859 VBTRXINITLLIJQ-JEOXALJRSA-N 469.756 5.145 5 1 JKBF O=[N+]([O-])c1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 29566688 KKLUKFFNRHRUTD-UHFFFAOYSA-N 473.552 5.251 5 1 JKBF COc1nc([N+](=O)[O-])cn1C[C@@H](OCc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl 66098950 MHWMPOWVBJEGDR-QGZVFWFLSA-N 458.248 5.343 5 1 JKBF O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])c(N2CCOCC2)cc1Cl 95584119 ZVSJDNXCWBAMPO-UHFFFAOYSA-N 494.960 5.614 5 1 JKBF CC(C)c1ccc(Oc2ccc3c4c(NCCCc5ccccc5)c(=O)nc-4c4cccc2c43)cc1 95597380 UQGNXYDWNJQPQF-UHFFFAOYSA-N 472.588 7.689 5 1 JKBF c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/CC23CCCN2CCC3)cc1 299835644 MGABRKCJFDNHLK-KGGMANCPSA-N 485.635 6.403 5 1 JKBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(OCc4csc(-c5ccccc5)n4)cc3)C2)cc1 299852278 PSMDWSWRKWFISE-XMMPIXPASA-N 457.511 6.163 5 1 JKBF C[C@@]1(c2cccc(Br)c2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319724 CUDRNGLKNDKLMU-UGKGYDQZSA-N 472.266 5.476 5 1 JKBF O=C1C[C@@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587510290 ACVAWODFUOJKBK-HHHXNRCGSA-N 453.498 5.453 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)N1 587841403 ATQHFSQTTSWDTK-GTJPDFRWSA-N 477.355 6.005 5 1 JKBF COc1ccc2c(c1OC)[C@](CCCCC(=O)O)(c1cc3ccccc3c3ccccc13)N(C)[C@H](C)C2 962573372 RMPIPZYKQADWQO-KTBRYMIGSA-N 497.635 6.775 5 1 JKBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4215751 MSVGDDVEJQUGLW-BJQRDSPESA-N 475.948 6.279 5 1 JKBF O=[N+]([O-])c1cc2c(OCC[C@@H]3CCCCN3)c(-c3ccc(Cl)cc3)c(O)nc2cc1Cl 29468497 JAPKVDPOGKWZBJ-HNNXBMFYSA-N 462.333 5.733 5 1 JKBF CCOC(=O)C1=C(C)N=C(c2ccccc2)/C(=C(/O)OCC)[C@@H]1/C=C/c1ccccc1[N+](=O)[O-] 169715067 IEGIPFFSPLOQPE-MHDDYLPESA-N 462.502 5.370 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](c1ccc(C(=O)OCC)cc1)(c1ccc([N+](=O)[O-])cc1)CC2=O 587473521 WUKMHIMJJVMQIA-MHZLTWQESA-N 475.497 5.339 5 1 JKBF CCN(CC)CCCNc1c2cc(/C=C/c3ccc(SC)cc3)ccc2nc2c1oc1ccccc12 1857646471 ISXJIXDXWOCALW-VAWYXSNFSA-N 495.692 8.170 5 1 JKBF O=[N+]([O-])c1ccc2c(c1)C1=NN(c3ccccc3)[C@@H](c3ccccc3Br)[C@H]1CCC2 6041299 XJCLRQALYIQTDK-RDPSFJRHSA-N 462.347 6.275 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 586965708 PKEPEDZEFRWIIC-UHFFFAOYSA-N 485.367 5.043 5 1 JKBF O=[N+]([O-])c1ccc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2c1 586969989 DYZCCRVJEOWMGO-UHFFFAOYSA-N 465.578 6.739 5 1 JKBF c1ccc(-c2csc(Nc3cccc(-c4nc5c6ccccc6c6ccccc6c5[nH]4)c3)n2)nc1 587022213 WCEBMNIWCYEAAL-UHFFFAOYSA-N 469.573 7.798 5 1 JKBF CC(C)=CCc1c(O)cc2oc3oc4c(CC=C(C)C)c(O)c(C)c(O)c4c(=O)c3c2c1O 15216671 PPEMAQGWWSXGGY-UHFFFAOYSA-N 450.487 5.841 5 1 JKBF biogenic O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587110144 UDXFWFSZAJVMRC-UHFFFAOYSA-N 468.151 5.862 5 1 JKBF Cc1c(O[C@@H](C)c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc2c1oc(=O)c1ccccc12 587208568 BWFQILLDIMBBOK-SFHVURJKSA-N 483.523 7.154 5 1 JKBF CCOC(=O)c1cc(Br)c2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2c1 587264084 AXTCDSICYTVOJR-UHFFFAOYSA-N 456.252 5.337 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 587542932 KCSAAZVZCHVJTL-QPPBQGQZSA-N 463.829 5.917 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)N1 587842066 CZGOOCUCBXPHKJ-WHEQGISXSA-N 479.415 6.545 5 1 JKBF Cn1nc(C(F)(F)F)cc1-c1ccc(C[C@H](O)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 1857753468 KDXHAEBKKQBDPC-QFIPXVFZSA-N 468.435 5.352 5 1 JKBF CC[C@H](C)[C@H](Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1)C(=O)NCCCc1ccccc1 82195836 GVIDZTKPBOERAI-AOMKIAJQSA-N 487.025 5.947 5 1 JKBF COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4ccc(OC(F)(F)F)cc4)c3oc2c1OC 96932324 NZBPYLGQEIYNDM-UHFFFAOYSA-N 476.403 5.546 5 1 JKBF O=C(CN1CCCCC1)n1c2ccccc2sc2cccc(Cl)c2n1C(=O)CN1CCCCC1 139718279 BQXXYMRLOQZJAJ-UHFFFAOYSA-N 499.080 5.688 5 1 JKBF COc1cc(OC)c2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2c1 587037459 JBVRJNPHWOBCOS-UHFFFAOYSA-N 464.528 5.916 5 1 JKBF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1COc1ccccc1[N+](=O)[O-] 587574712 GUHKFSXZTIPNIX-NAKRPHOHSA-N 499.475 5.591 5 1 JKBF COc1ccc2c(c1)[C@](c1ccc([N+](=O)[O-])cc1)(c1ncco1)N(Cc1ccc(F)cc1)CC2 963303298 OPJSZXQPNWCCSY-AREMUKBSSA-N 459.477 5.081 5 1 JKBF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1nn(-c2ccc([N+](=O)[O-])cc2)cc1C=O 1772628093 FGOOUIDAMGEDPM-LMXVXWCUSA-N 487.600 5.910 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](c1ccc(C(C)C)cc1)CC(=O)N3 1857757023 NBBDPSQHTMOALP-IBGZPJMESA-N 485.580 6.625 5 1 JKBF CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)c4ccccc4oc3c2)c1 13781325 XXYOHHNGEKCFAK-UHFFFAOYSA-N 488.584 5.736 5 1 JKBF COc1cc2oc3c(C)c(=O)cc4oc(-c5ccccc5)cc(c2c2c1C=C[C@@H](c1ccccc1)O2)c43 59586224 HMNBMMYNYCMVLA-DEOSSOPVSA-N 486.523 7.823 5 1 JKBF biogenic,in-vitro O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C=C(c1ccc(F)cc1)C[C@@H]2c1ccccc1 96929732 MLYLVTZTLMZZRU-HXUWFJFHSA-N 472.432 5.197 5 1 JKBF CC[N+](CC)(CC)C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(C)C)C[C@@H]3CC[C@@H]12 299818595 AEKZRHRRTOYWFU-OPHJSSBKSA-N 464.755 6.062 5 1 JKBF CCCCOc1cc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2cc1Br 587262769 FTONIHBLWPAWSJ-UHFFFAOYSA-N 450.289 5.000 5 1 JKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 587270344 VMQGBJKHRPOTDO-UHFFFAOYSA-N 455.234 5.520 5 1 JKBF O=C1C[C@@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587501600 BTALFDVPEQKTNZ-RUZDIDTESA-N 468.336 6.689 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 587615323 XDSRZAHKOLKZOX-OZXSUGGESA-N 477.538 6.428 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 587717896 LVZCUMPUDBBSBL-DMZKTXOQSA-N 459.290 5.462 5 1 JKBF O=[N+]([O-])c1cccc(C(F)(F)F)c1[C@@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962644967 RSHDUXWMTDJWGG-CYFREDJKSA-N 453.464 5.450 5 1 JKBF CC(C)(CC[C@@]1(c2ccc(Br)cc2)NCCc2cc(-c3ccccc3)ccc21)[N+](=O)[O-] 962661716 ALGMSFABICRQNS-SANMLTNESA-N 479.418 6.341 5 1 JKBF Cc1nc2nc(Sc3ccccc3)cnc2cc1NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1772619303 NFGQYFMMNIJEKA-UHFFFAOYSA-N 450.455 5.176 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CCS[C@@H]3c3ccccc3)c2c1 1857631510 FPTFGQFDVNQUBR-HHHXNRCGSA-N 492.044 5.938 5 1 JKBF CCc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 2483739 SJNIIDJCOQPMPX-UHFFFAOYSA-N 455.942 5.736 5 1 JKBF CCOC(=O)/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 13371173 GIRXTOSJOKKBHO-GUCZFGIOSA-N 460.702 9.086 5 1 JKBF endogenous,in-man CCCOC(=O)/C=C/COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 103219587 AUDYUMYORABQGR-ONEGZZNKSA-N 487.814 5.726 5 1 JKBF CC/C(=C\C(=O)OC)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 103221565 XEGSMMJTRPUUDQ-ZRDIBKRKSA-N 473.787 5.683 5 1 JKBF C[C@@H](CNC(=O)Nc1ccccc1)CNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12 169348188 AZTSRVHRPLPPIO-MRXNPFEDSA-N 457.965 6.392 5 1 JKBF O=C(O)c1cc(-c2nc(-c3ccc(Br)s3)cs2)ccc1-c1ccccc1[N+](=O)[O-] 204999705 BOTKASBVGNGOGK-UHFFFAOYSA-N 487.356 6.575 5 1 JKBF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587189971 FNFCKODQIREUQL-INIZCTEOSA-N 461.316 5.190 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3cc(Br)c(C)c(C)c3[nH]2)c(C)c1[N+](=O)[O-] 587264096 BCZXLBHQFQZCJZ-UHFFFAOYSA-N 454.328 5.379 5 1 JKBF O=C1c2ccc(O)cc2O[C@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587339073 DORCBGWSMXFTCP-PQHLKRTFSA-N 497.522 6.717 5 1 JKBF O=C(O)CC[C@]1(c2ccc3ccc4cccc5ccc2c3c45)CC(=O)c2ccc3c(c2O1)CCCC3 587530001 SVQSDZHTWJBKRD-JGCGQSQUSA-N 474.556 7.188 5 1 JKBF CCc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3cccc([N+](=O)[O-])c23)cc1 587644491 XEXBIOWCCWRIJK-UHFFFAOYSA-N 450.336 6.680 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)N1 587705175 XECYDILJJMTONH-VERVWZFWSA-N 491.744 6.566 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587731875 LQGPXZFNEDABRO-YTEVENLXSA-N 475.289 6.051 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 587750599 JCSMYSKNWJOMBM-AMXDTQDGSA-N 458.331 5.556 5 1 JKBF COc1cccc(OCc2ccc(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)cc2)c1 587780906 LOKRUZUKWMWJHB-UHFFFAOYSA-N 454.280 5.488 5 1 JKBF Cn1cccc1CN1CCc2sccc2[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)n2ccccc12 962395320 CJPAHYRSHISRDA-RUZDIDTESA-N 469.570 5.457 5 1 JKBF Cc1nc2c(-c3ccc(Br)cc3)nc3ccccc3c2c(=O)n1-c1ccc(Cl)cc1 28646062 WJWQTZRYPYBKTN-UHFFFAOYSA-N 476.761 6.325 5 1 JKBF O=C(OCCC1CCCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081615 HOPOXLSVAVMGDH-GOSISDBHSA-N 471.579 5.084 5 1 JKBF CC[C@H](C)NC(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1 82135868 NSZQNKNAQACMTJ-AWEZNQCLSA-N 473.455 5.211 5 1 JKBF CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(O)CC(C)(C)CC2=N1 104081312 SVISHRZYOFTOFG-QFIPXVFZSA-N 480.952 6.035 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587056795 USYKFLFPDCVFKR-MRXNPFEDSA-N 472.876 5.864 5 1 JKBF O=S(=O)(Nc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1)c1cc(F)ccc1F 587140000 CRDMAIXKFHLIBJ-UHFFFAOYSA-N 485.515 6.615 5 1 JKBF Cc1ccc(C(C)C)c(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])c1 587509688 IPPGQKCNEYDZEL-MHZLTWQESA-N 471.553 7.404 5 1 JKBF Cc1ccc([C@@]2(c3ccc(Cl)c([N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587546471 QZDRRUJEFFVUGH-IGKIAQTJSA-N 487.895 6.168 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)N1 587691327 ARXQCUJYEDXTBO-PRWKNARSSA-N 464.722 5.564 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 587842413 FOMIOYKFJVDJHH-QKFKETGDSA-N 487.394 6.412 5 1 JKBF O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@](O)(CSc1ccc(Cl)cc1)C(F)(F)F 28020853 HOVZDDHAEPYKDJ-OAHLLOKOSA-N 488.793 5.291 5 1 JKBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135435 YDLIYUIHTUODFF-SFTDATJTSA-N 487.604 5.666 5 1 JKBF O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1[N+](=O)[O-] 96167949 QDEXODTWCGUQHX-UHFFFAOYSA-N 481.317 5.346 5 1 JKBF O=C(O)c1cc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1-c1ccccc1[N+](=O)[O-] 205017568 QLCWPWKDYFTWTP-UHFFFAOYSA-N 471.321 7.057 5 1 JKBF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2)cc1 586931335 RENTTXFJPWEUOR-UHFFFAOYSA-N 477.589 6.670 5 1 JKBF C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586993576 JCINXNMHXKVZOI-INIZCTEOSA-N 485.495 6.551 5 1 JKBF Cc1cc2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c2cc1[N+](=O)[O-] 587109189 CEEVVSSVFIHAOA-UHFFFAOYSA-N 481.352 7.276 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(Br)c(OC(F)(F)F)cc4[nH]3)cc2)cc1 587273021 YXGPJKFZFFKIJG-UHFFFAOYSA-N 494.223 6.592 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1)O2 587381108 FULRFLKDQQDWHS-OAQYLSRUSA-N 458.392 6.003 5 1 JKBF O=[N+]([O-])c1cc(Cl)c(O)c(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c1 12481834 PHPYDHXQFVMBQK-UHFFFAOYSA-O 479.943 7.232 5 3 JKBF O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1O 29214203 AIVPHYGBDQSZFN-UHFFFAOYSA-N 452.772 6.017 5 1 JKBF C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C 82174317 JWQOCLGOVQYSGG-KHNCNGADSA-N 485.613 6.811 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)c(Cl)cc2c2c(Cl)cc(Cl)cc12 169338444 APWXXKZYGXVQSJ-QHCPKHFHSA-N 487.298 8.542 5 1 JKBF COc1c(OC/C=C(/C)CO)cc2oc3cc(O)cc(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C 238738912 AZOVHLSPQFLBKM-UXUGSIJQSA-N 494.584 5.919 5 1 JKBF O=C1C=C[C@]2(C[C@@H](c3ccc4ccccc4c3[N+](=O)[O-])O[C@@H](c3ccc4ccccc4c3[N+](=O)[O-])O2)O1 299835441 WBFGANMWJPVKFB-FDJWOJMMSA-N 498.447 5.796 5 1 JKBF Cc1cc2[nH]c(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)nc2cc1[N+](=O)[O-] 586967942 JWETZJCONBEDAL-UHFFFAOYSA-N 455.927 5.091 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587421381 KHLQHUBBJKIKKV-SBUREZEXSA-N 487.455 6.262 5 1 JKBF CC1=C(c2ccc([N+](=O)[O-])cc2)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 587513856 USEIVWODFSHKTE-NDEPHWFRSA-N 469.493 5.864 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)N1 587697724 TVYSYJFNKUBGSU-BIBXISHDSA-N 464.722 5.564 5 1 JKBF C[C@]1(c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccsc2CCN1Cc1cccnc1 962999922 SLXIZBYQCJSTAM-MHZLTWQESA-N 471.582 5.952 5 1 JKBF COc1ccc([N+](=O)[O-])c2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 27854323 UBEYPWCXXURFHS-GBXCKJPGSA-N 492.403 5.063 5 1 JKBF O=[N+]([O-])c1ccc(C[n+]2cn([C@H](c3ccccc3)c3cc4ccccc4o3)c3ccccc32)cc1 95590254 RHJBNEJFGOITHE-GDLZYMKVSA-N 460.513 6.269 5 1 JKBF COc1cccc(C(=O)Nc2nnc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)s2)c1 299827195 GPLFWBNRPRIWRG-UHFFFAOYSA-N 493.457 5.075 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 587067730 MVTVDGWAIYMGJE-UHFFFAOYSA-N 458.699 5.713 5 1 JKBF Cc1[nH]c2ccc(F)c(Cl)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587631360 KFEKDQXMXVRVFS-IFMALSPDSA-N 478.863 5.727 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccco2)(c2cccc([N+](=O)[O-])c2)N1 587745237 GXEZJULLSOGPEQ-HTTYKVCRSA-N 457.299 5.581 5 1 JKBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587749178 XRXGUHWIUAVYGT-WIUDPPPLSA-N 461.287 5.389 5 1 JKBF C[C@]1(c2ccc(Br)cc2[N+](=O)[O-])c2cccc(F)c2CCN1[C@H]1CCSC1 962706730 OIHGPLKNJQGGEI-VBKZILBWSA-N 451.361 5.124 5 1 JKBF Cc1ccc(-c2nc3ccc(-c4nnc(-c5ccc([N+](=O)[O-])cc5)o4)cn3c2Nc2ccccc2)cc1 66259814 WAUYYVCWQQRBDI-UHFFFAOYSA-N 488.507 6.679 5 1 JKBF Cc1cc(Br)c2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 587053943 HQULQMGWDVFLHJ-MRXNPFEDSA-N 465.735 5.323 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(OCc3ccccc3)c2[nH]1 587056851 VCAYZKBUBSKTOP-QFIPXVFZSA-N 478.936 5.831 5 1 JKBF O=C(O)c1cc2nc(-c3ccc(Cl)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587069370 IYCQPUVAJMRVFH-UHFFFAOYSA-N 482.879 6.165 5 1 JKBF Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546686 JZWLPXBVZPQZOV-JYFHCDHNSA-N 488.883 5.441 5 1 JKBF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccc([N+](=O)[O-])cc1 587574326 FCPUXXSLOJGAPM-NAKRPHOHSA-N 499.475 5.591 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SCc2ccccc2)c([N+](=O)[O-])c1 587615584 YSOSRIFDMSBUFB-RPLLCQBOSA-N 485.517 6.296 5 1 JKBF CCCCN(CCCC)c1ccc(-c2nn(-c3ncccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587663819 SHZOVBYBQQZMRG-UHFFFAOYSA-N 487.560 5.468 5 1 JKBF COc1c(OCCCC(=O)O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4 1857585797 FWEDGZNVHGPJSM-UHFFFAOYSA-N 494.540 5.597 5 1 JKBF COc1c(OC(C)=O)cc2oc3cc(OC(C)=O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 3919705 WBVGQHDFFNOEEI-UHFFFAOYSA-N 494.540 5.528 5 1 JKBF biogenic COc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)c3c(ncn4c(=O)c5ccccc5nc34)n2)cc1 45350420 VPFHGGRTDLFJBN-UHFFFAOYSA-N 475.464 5.042 5 1 JKBF CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 82195918 AWRDIIHWIRYKCS-CRAIPNDOSA-N 499.102 6.238 5 1 JKBF NS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3cc4ccccc4cc3c2)cc1 84687397 MWYUCSSFQAEGLX-UHFFFAOYSA-N 482.487 5.480 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1Sc1nc2ccccc2s1 587037201 FXHFYNWMVDHIDS-UHFFFAOYSA-N 476.539 6.060 5 1 JKBF O=C(CSCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114017 PHFXKFLCAANZDL-UHFFFAOYSA-N 489.273 5.124 5 1 JKBF COC(=O)c1cc(Br)c2[nH]c(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc2c1 587273880 WIBCSMSQANAUNT-UHFFFAOYSA-N 468.263 5.480 5 1 JKBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2=O 587467776 RPEBJVGRBZOOQR-SANMLTNESA-N 465.477 5.852 5 1 JKBF CCCCCn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccccc2OC)c2ccccc21 587647254 FFJTUORDKCPGGH-UHFFFAOYSA-N 453.542 7.564 5 1 JKBF Cc1c(OC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc2c1oc(=O)c1ccccc12 587837915 LJNGXZHEQPPAFH-RXBISOJRSA-N 496.376 5.985 5 1 JKBF COc1ccc2c(c1)[C@H](c1ccc(OC)c(COc3cccc([N+](=O)[O-])c3)c1)N(C(C)C)CC2 962095555 VBMPWLWKOXNUMV-MHZLTWQESA-N 462.546 5.547 5 1 JKBF CC[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962648810 XAJXDTLJRGBLRU-NEKDWFFYSA-N 452.558 5.477 5 1 JKBF COc1ccc(N2N=C3c4cc(Cl)cc([N+](=O)[O-])c4NC[C@@H]3[C@@H]2c2ccc(Cl)cc2)cc1 1772655254 PFUZPZIQRUUZKI-CVDCTZTESA-N 469.328 5.918 5 1 JKBF O=[N+]([O-])c1cc2c(OCC[C@@H]3CCCCN3)c(-c3ccccc3Cl)c(O)nc2cc1Cl 29413025 OEKBDGMSVUJRKC-ZDUSSCGKSA-N 462.333 5.733 5 1 JKBF COC(=O)c1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cn1 587036825 AQCHZVRDKWUDEZ-UHFFFAOYSA-N 463.500 5.081 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1cccc(Oc3ccc([N+](=O)[O-])cc3C(=O)OC)c1)CC2=O 587473573 XUVJZOGTCHHWPY-XMMPIXPASA-N 477.469 5.538 5 1 JKBF Cc1nn(-c2ccccc2)c(Oc2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)c1[N+](=O)[O-] 1772638063 CQFZJNWGLMMMCF-UHFFFAOYSA-N 456.418 5.333 5 1 JKBF O=C(O)c1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1F 587037992 OPLFXLZFFOOCAP-UHFFFAOYSA-N 466.475 5.736 5 1 JKBF Fc1ccc(F)c(SCc2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)c1 587140806 GBLPERDTDMMKOV-UHFFFAOYSA-N 454.505 6.897 5 1 JKBF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c(F)c2)c1 587147368 OGVYQSQWQGIHSG-UHFFFAOYSA-N 464.456 5.839 5 1 JKBF C[C@@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350830 FOIKWKHPMWVISM-BHYZAODMSA-N 472.515 7.703 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 587545024 GAGSXBDAEGKPLZ-DHLKQENFSA-N 493.855 5.829 5 1 JKBF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1COc1ccc([N+](=O)[O-])cc1 587579108 YQGKQPKSWPJKAJ-LBNVMWSVSA-N 499.475 5.591 5 1 JKBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1 587872473 YGDBYNRJLFSVHE-UHFFFAOYSA-N 461.449 5.264 5 1 JKBF O=C(O)/C(=C/c1ccccc1[N+](=O)[O-])NNc1nc(-c2ccc(Cl)c(Cl)c2)cs1 958043820 DTJMHADNHAIWAL-ZSOIEALJSA-N 451.291 5.067 5 1 JKBF COc1c(O)cc2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2c1CC=C(C)CCC=C(C)C 2356604095 SOCAUSWRRPKJMP-UHFFFAOYSA-N 478.585 6.816 5 1 JKBF C[N+](C)(C)[C@H]1CCCC[C@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1CCCCC1 28712524 ZBEORDZSEHCNHX-IZZNHLLZSA-O 472.671 7.539 5 1 JKBF COc1cc2c(c3c1c(=O)c1c4ccccc4ccc1n3C)[C@@H](O)[C@@H](OC(=O)CC(C)C)C(C)(C)O2 35936394 SJMFGQPYENWZEF-VSGBNLITSA-N 489.568 5.016 5 1 JKBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82216889 NEWRXLZCRONKCQ-SJLPKXTDSA-N 463.538 5.216 5 1 JKBF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586983134 WEBKCOMLHQRKTP-KRWDZBQOSA-N 459.391 6.794 5 1 JKBF Cc1ccc2c(ccc3nc(-c4ccc(Sc5nc6ccccc6s5)c([N+](=O)[O-])c4)[nH]c32)n1 587038431 SXINRTFQCACGON-UHFFFAOYSA-N 469.551 6.756 5 1 JKBF Cc1cccc(NC(=O)Nc2ccc(N=c3c4ccccc4[nH]c4cc([N+](=O)[O-])ccc34)cc2)c1 653764369 QJDMBEGVXHTTKO-UHFFFAOYSA-N 463.497 6.414 5 1 JKBF NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3ccc4ccccc4c3c2)cc1 72119972 POMAIVHQLYPPAL-UHFFFAOYSA-N 460.459 5.762 5 1 JKBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135320 ZVGWHKFXHKHZPG-ZGXWSNOMSA-N 465.598 5.185 5 1 JKBF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 587269415 NBXRFVHOCXTWDJ-UHFFFAOYSA-N 495.461 6.009 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344572 HBHVBKAVPYOCSF-IRPSRAIASA-N 481.479 5.769 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c1)CC2=O 587460069 FNWGZZCWVVKPJH-HSZRJFAPSA-N 453.878 6.405 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cccc3ccc4ccc5cccc2c5c4c13 587825250 BXLMFLZEESWPQY-HNNXBMFYSA-N 468.369 7.187 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)N1 587844206 KWPDNIRUJCOMIC-GTJPDFRWSA-N 477.355 6.005 5 1 JKBF COc1ccc(Cl)c2c1CCN[C@]2(C)c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(F)c1 963256808 FTUHGLNGMRBDBC-XMMPIXPASA-N 456.901 5.384 5 1 JKBF CCOC(=O)CCCCCC[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963607794 KHZGKAGDIGCKFV-XHCCPWGMSA-N 484.593 5.294 5 1 JKBF CN(CC1CCCCC1)C1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 1857767102 STQBLTAJKVPWBV-UHFFFAOYSA-N 484.544 5.064 5 1 JKBF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)C1 82135560 HIIYPUTYBDKVSY-IEYFWXMHSA-N 491.636 5.653 5 1 JKBF Cc1oc(-c2cnc(NCCOc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174421 GAULDAMZBKKGKA-UHFFFAOYSA-N 493.523 6.173 5 1 JKBF CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc([N+](=O)[O-])cc2n1Cc1ccccn1 96172177 RAVBTMWPACITCR-UHFFFAOYSA-N 464.472 5.324 5 1 JKBF Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCc3ccccc3[N+](=O)[O-])[nH]c3ccc(Cl)cc23)c1 169337496 MEFZDWSXKDPPAP-UHFFFAOYSA-N 497.960 5.109 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 587014116 LEMBMQNMEPQCKJ-UHFFFAOYSA-N 470.135 6.331 5 1 JKBF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587158404 LQMQZCBUIPCMKZ-UHFFFAOYSA-N 456.271 5.639 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)N1 587735617 YENWAUGVZVNKRG-WIUDPPPLSA-N 479.277 5.431 5 1 JKBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587747832 QIXHMQLLRUZRGH-WIUDPPPLSA-N 461.287 5.389 5 1 JKBF CN1CCc2c(Br)cccc2[C@@H]1c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 963290123 UDGDQBNSARBJKY-RUZDIDTESA-N 476.374 5.938 5 1 JKBF Fc1ccc(-c2nn(Cc3ccccc3)cc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 1772628696 OQJVIIJTCLNEQV-UHFFFAOYSA-N 470.511 6.377 5 1 JKBF COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NC2CCCCC2)cc1 773935 HUVMTGZBRIHSBG-UHFFFAOYSA-N 481.505 5.005 5 1 JKBF CCCCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCOCCC)[C@H]1c1cccc([N+](=O)[O-])c1 29345901 ALYWJJBDPOOUNS-BUANBSPESA-N 474.554 5.373 5 1 JKBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N([C@H]2CCCC[C@@H]2C2CCCCC2)C1 40764249 WDHRTPQZLVZIPX-KHMDJKJYSA-N 496.695 6.939 5 1 JKBF C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174227 PAYVTQXPRWVKBH-VGOFRKELSA-N 471.586 6.833 5 1 JKBF Cc1oc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174440 TWRYZGUTFINBDP-HXUWFJFHSA-N 457.490 5.273 5 1 JKBF C[C@@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C 82216924 JFAFVONXEFSODO-WUVXFVIISA-N 463.582 5.207 5 1 JKBF C[C@@]1(c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)NCCc2cc(Cl)ccc21 963391505 VNCCJESCKPZPMT-QFIPXVFZSA-N 462.855 6.469 5 1 JKBF O=[N+]([O-])c1ccc(-c2ccc([C@@H]3NCCc4c3[nH]c3ccc(OCc5ccccc5)cc43)s2)cc1 963833912 YXCPQGJURVQUHP-NDEPHWFRSA-N 481.577 6.619 5 1 JKBF C[C@@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339607 UNTCVGDSSPVDFV-VPUSJEBWSA-N 476.504 5.704 5 1 JKBF O=C1C[C@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)Oc2c1ccc1c2CCCC1 587510430 AMUTVTFSVTYQIR-HHHXNRCGSA-N 452.510 6.183 5 1 JKBF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](c2cccc(F)c2)(c2cccc([N+](=O)[O-])c2)N1 963165003 BGOAOLSWYJOCGN-AVRDEDQJSA-N 494.828 5.297 5 1 JKBF Cc1cc(C(=O)c2ccc(Cl)cc2Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1O 29242299 OAOAELNEBDREPB-UHFFFAOYSA-N 479.703 6.052 5 1 JKBF CCc1cnc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163849 MSQCSJICUREBAR-UHFFFAOYSA-N 485.491 6.369 5 1 JKBF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c3ccccc3c3ccccc3c2[nH]1 586938118 VBABTDBLICHOSY-QHCPKHFHSA-N 489.666 6.259 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2=O 587466762 MQGQQCUGICSDRW-DEOSSOPVSA-N 451.450 5.678 5 1 JKBF C[C@@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547398 LHDVLFAIECZRJC-UGKGYDQZSA-N 459.376 5.282 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 587691031 BHTRGSLVIAMZMA-SBKAZYGRSA-N 465.706 6.033 5 1 JKBF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccc([N+](=O)[O-])cc1 587753582 VREVVEVBDIURQQ-ZLOXQWCVSA-N 487.325 5.921 5 1 JKBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(C)c(C(=O)c3cccc([N+](=O)[O-])c3)n3ccccc23)N1 962944369 HSAOVVJJJIXGGW-UZTOHYMASA-N 478.552 5.882 5 1 JKBF CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4051447 FXGDTEVQGMOVAA-ILBGXUMGSA-N 491.975 5.954 5 1 JKBF O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1 40918100 BQMLVIPNBYBAFL-NDEPHWFRSA-N 450.538 6.065 5 1 JKBF c1ccc2c(c1)c1ccccc1c1[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc21 586970080 UWOVGVDRNHGGRE-UHFFFAOYSA-N 452.495 5.940 5 1 JKBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587049941 JXVWCGWTDICMDO-KHPPLWFESA-N 484.947 5.703 5 1 JKBF FC(F)(F)c1cc(CCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc(C(F)(F)F)c1 587110642 DZBJCKOCJREFON-UHFFFAOYSA-N 458.405 7.692 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1c(Oc3ccc(C)cc3[N+](=O)[O-])n(C)c3ccccc13)CC2=O 587468185 BWUKASCCLKZCHI-RUZDIDTESA-N 486.524 6.552 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)OC)c([N+](=O)[O-])c3)cc1)CC2=O 587472855 NKBPHERNSLWIMM-DEOSSOPVSA-N 461.470 5.413 5 1 JKBF CNc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587508936 GTZIRERZJGQHIE-MHZLTWQESA-N 472.497 5.123 5 1 JKBF C[C@@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603776 RPELXIFTFBGJPG-MVSFAKPFSA-N 456.497 7.167 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 587749261 DEDSGYPRBHIRMS-RKNYENMMSA-N 496.336 5.651 5 1 JKBF COc1ccc([N+](=O)[O-])cc1CSc1nc2cc(NC(=O)NC(C)(C)C)ccc2n1C1CC1 28523620 WYXGSNRDBGGMJJ-UHFFFAOYSA-N 469.567 5.500 5 1 JKBF COc1cc2c(c3nc4ccc5ccccc5c4c(OC)c13)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O2 40563879 WOOQPSTXMYTAFS-KAYWLYCHSA-N 489.524 5.265 5 1 JKBF Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1CC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 40917682 SGGSMDRHYNUCIO-UHFFFAOYSA-N 465.849 6.007 5 1 JKBF Cc1ccc(CCNc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82134936 GQMDQOAFZHWIPY-DVECYGJZSA-N 473.577 5.323 5 1 JKBF Cc1oc(-c2cnc(NCc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174733 NAOOEWAHLIBHMY-UHFFFAOYSA-N 463.497 6.294 5 1 JKBF CC[C@@H]1OCCC[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586912702 OTBASCFBUPILKP-MBSDFSHPSA-N 484.508 5.518 5 1 JKBF O=C(Nc1ccc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1)c1ccc(Br)o1 587008885 ZPGMSBSCSNPCIS-UHFFFAOYSA-N 496.364 7.068 5 1 JKBF Cc1ccc(-c2cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c3cccc(Cl)c3n2)o1 587082726 CZPDZKAJZUPWJL-UHFFFAOYSA-N 459.936 8.306 5 1 JKBF C[C@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350857 FOIKWKHPMWVISM-XLJNKUFUSA-N 472.515 7.703 5 1 JKBF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(Br)cc1[N+](=O)[O-] 587626067 OZNDENNJFLEDKX-UHFFFAOYSA-N 467.163 6.852 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CCS[C@@H]3c3ccco3)c2c1 1857645026 WVGKMCOIJKZHDH-RUZDIDTESA-N 482.005 5.531 5 1 JKBF NCCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 27639913 WXAKPJUYGQNCHU-UQRQXUALSA-N 488.422 6.430 5 1 JKBF O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccc(-c4cccs4)cc3c2=O)cc1 58568764 BOXNUIJOBFSQPT-AWNIVKPZSA-N 495.516 5.891 5 1 JKBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148848 AIGZTKYFSXTBKL-ZGXWSNOMSA-N 465.598 5.185 5 1 JKBF O=[N+]([O-])c1ccc(C[n+]2ccn([C@H](c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)cc1 96915760 AVPWGVWLOYQBBL-GDLZYMKVSA-N 460.513 6.269 5 1 JKBF O=[N+]([O-])c1cc2c(cc1[C@@H]1Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C31)OCO2 103945393 HMFJBEIIVBFPCL-OZAJXLCCSA-N 461.499 6.014 5 1 JKBF C[C@@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C 105175913 QDNSTRBQILXZAD-QOYWPIMFSA-N 491.636 5.939 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)N1 587843578 IWXZPQZTLAGJCS-DMZKTXOQSA-N 473.367 6.271 5 1 JKBF O=[N+]([O-])c1cc([C@@H]2c3ccsc3CCN2Cc2ccco2)ccc1I 962706009 GSQPSFIHJIXUDV-GOSISDBHSA-N 466.300 5.002 5 1 JKBF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3ccccc3c2[N+](=O)[O-])N1C(=O)c1ccccc1 963451373 VJJAYOHOPLHPQO-RPLLCQBOSA-N 491.503 5.470 5 1 JKBF O=C(NCc1ccccc1F)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2481949 ALTBVUHKZDKVOC-UHFFFAOYSA-N 486.286 6.293 5 1 JKBF O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)[C@@H]3c4cc(Br)ccc4OC[C@H]23)c1 5823929 USKXNVQGGUMSLO-DENIHFKCSA-N 450.292 5.332 5 1 JKBF Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3c4ccccc4cc4ccccc34)ccc12 95575063 QNCCDPWZRVCIGK-UHFFFAOYSA-N 452.506 6.312 5 1 JKBF CC1CCN(C(=O)c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 105176688 ZGDVPMWOZCDFSS-UJFGGOPNSA-N 477.609 5.407 5 1 JKBF COc1ccc([N+](=O)[O-])c(-c2nnc(C3=C(Cl)c4cc(C)c(C)cc4CCC3)o2)c1OC 299863376 LBODNSZMIZMBCA-UHFFFAOYSA-N 455.898 5.722 5 1 JKBF O=C(COc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1)Nc1ccccc1F 587154451 PBGCMISJLQKOHA-UHFFFAOYSA-N 461.496 6.693 5 1 JKBF COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587452236 NKSZAOSOSLEQSI-GAJHUEQPSA-N 453.903 5.897 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 587751978 PEKFRKZILXWSIC-SHACYNPGSA-N 480.337 6.064 5 1 JKBF O=[N+]([O-])c1ccc(C[C@]2(c3ccc4ccccc4c3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963096759 GLMFGFNCOHJVER-PXJZQJOASA-N 452.529 6.394 5 1 JKBF O=C(Nc1ccc(Br)cc1)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 84758573 ULOFNSCTALRSAB-UHFFFAOYSA-N 463.291 5.462 5 1 JKBF Cc1cc(C)c(Oc2ccc([N+](=O)[O-])c(NC3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)c2)c(C)c1 103230415 ASWQPSLPEDBLEF-UHFFFAOYSA-N 490.560 6.297 5 1 JKBF O=C(Nc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1)c1ccc(Br)cc1 586984053 NATRAOTVFXFEBL-UHFFFAOYSA-N 492.376 7.551 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc(Cl)c(F)cc3[nH]2)ccc1Sc1nc2ccccc2s1 587037338 HPLBILPIPFJJSW-UHFFFAOYSA-N 456.911 6.692 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc(Cl)c2[nH]1 587053372 DIZURYCXCRJPOC-HNNXBMFYSA-N 486.153 5.668 5 1 JKBF CCOc1cc([C@@H]2c3ccsc3CCN2Cc2cccn2C)ccc1Oc1nn(C)cc1[N+](=O)[O-] 962375095 RMHZLNNCWQRPNT-XMMPIXPASA-N 493.589 5.067 5 1 JKBF O=C1SC(=Cc2c3ccccc3nc3ccccc23)C(=O)N1Cc1ccc(Br)cc1 1857624398 CLVMUFNPZQJGKR-UHFFFAOYSA-N 475.367 6.387 5 1 JKBF CC[C@@H](C)NC(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1 82135867 NSZQNKNAQACMTJ-CQSZACIVSA-N 473.455 5.211 5 1 JKBF CCCN1CCC(CNCc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(Cl)cc2)CC1 96938527 MZCXTDCASPQJIT-UHFFFAOYSA-N 468.001 5.313 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)ccc12 169338856 MQDSPFWFPUGMEW-XMMPIXPASA-N 451.960 7.601 5 1 JKBF CC(C)C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 169713959 ZFXRZGCZDCRDBC-UQFYPATQSA-N 495.664 5.816 5 1 JKBF O=C1c2ccccc2[C@](O[C@H]2CC[C@H](O)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 254010460 DUVWOXDCHCLFLA-AZSVPQILSA-N 492.959 5.425 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(Cl)c(C)c2[nH]1 586949168 SMCCYOOXUBCHNB-UHFFFAOYSA-N 456.911 5.209 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC1 587269671 LSEPPZWQFCTNJM-UHFFFAOYSA-N 497.271 5.272 5 1 JKBF CCOc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3Cl)c(=O)c3ccccc23)cc1OCC 587670034 YDMFSMOGCBCUEZ-UHFFFAOYSA-N 465.893 5.412 5 1 JKBF CC[C@@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)n1cc(I)c(C)n1 587185650 VWFKRVZKTIHMEY-IBGZPJMESA-N 466.326 5.978 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1c(Oc3ccc(C)cc3[N+](=O)[O-])n(C)c3ccccc13)CC2=O 587468186 BWUKASCCLKZCHI-VWLOTQADSA-N 486.524 6.552 5 1 JKBF C[C@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555761 LZVFAADODGFJJF-SIKLNZKXSA-N 475.375 5.162 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)N1 587697730 TVYSYJFNKUBGSU-YBTHPKLGSA-N 464.722 5.564 5 1 JKBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587747835 QIXHMQLLRUZRGH-WSVYEEACSA-N 461.287 5.389 5 1 JKBF O=C1c2cc(I)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(F)cc1F 653827941 UECPFSBROFGIGI-UHFFFAOYSA-N 494.191 5.562 5 1 JKBF C[C@]1(c2cc(Br)c(OC(F)(F)F)c([N+](=O)[O-])c2)c2ccc(F)cc2C[C@H]2CCCN21 963111155 RIVPSARFIFWZJC-KUHUBIRLSA-N 489.263 5.679 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CCS[C@H]3C3CCCCC3)c2c1 1857637602 BYTYWSFGGQWCLY-MHZLTWQESA-N 498.092 6.146 5 1 JKBF CCc1cnc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174021 AGJPOXGNIWRLIP-UHFFFAOYSA-N 485.491 6.369 5 1 JKBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82216885 NEWRXLZCRONKCQ-FUHWJXTLSA-N 463.538 5.216 5 1 JKBF COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 102131920 VRTWMUBIXJPQNF-HZHRSRAPSA-N 496.479 6.000 5 1 JKBF CCCN(CCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)c(Cl)cc12 169337943 MMXFRGFJDMVYNG-JOCHJYFZSA-N 458.351 7.474 5 1 JKBF O=C(O)c1cc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)ccc1-c1ccccc1[N+](=O)[O-] 204983076 CMRWMJUOGCXATN-UHFFFAOYSA-N 470.428 6.769 5 1 JKBF Cc1nc2cccc3c2c(c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O)CC3 587211007 JNXWVMYAOMLSOA-IZZNHLLZSA-N 464.477 5.100 5 1 JKBF C[C@@]1(c2ccc(Br)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322110 LKZMIHPVOUVEKE-UNMCSNQZSA-N 472.266 5.476 5 1 JKBF Cc1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587340109 VAPRUWHGVKROFI-KUVYSSHXSA-N 462.477 5.078 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 587542365 IWMBOTUMDJBRIH-URXFXBBRSA-N 463.829 5.917 5 1 JKBF COc1ccc2c(c1)[C@@H](c1ccc(OC)c(COc3cccc([N+](=O)[O-])c3)c1)N(C(C)C)CC2 962095554 VBMPWLWKOXNUMV-HHHXNRCGSA-N 462.546 5.547 5 1 JKBF Cc1cc(S(=O)(=O)Nc2nc3ccccc3nc2-c2cccc([N+](=O)[O-])c2)c(S)cc1Cl 1663290 NLFDRVQQKIFDQW-UHFFFAOYSA-N 486.962 5.256 5 1 JKBF COc1nc([N+](=O)[O-])cn1C[C@H](OCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 66111682 MFYAAGNGYWCROA-KRWDZBQOSA-N 456.713 5.718 5 1 JKBF CC(C)/N=c1\cc2n(-c3ccc(Br)cc3)c3ccccc3nc-2cc1Nc1cccnc1 95573394 JLQJYMFCSRBDLB-BYNJWEBRSA-N 484.401 6.341 5 1 JKBF CCCCC/C=C\C/C=C\CCCCCCC[C@@H](O)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 535384750 SMJJEGJNWOWKIM-DLJRMSJRSA-O 468.699 5.644 5 1 JKBF in-vitro CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587048737 MEACKVPOWVIVHH-UHFFFAOYSA-N 486.963 5.623 5 1 JKBF Cc1cc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145532 YLUGYBZIUWEWSA-UHFFFAOYSA-N 470.254 5.713 5 1 JKBF CCCCCOc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1Br 587270362 WJIAFYPRQDVSKD-UHFFFAOYSA-N 462.300 5.194 5 1 JKBF Cc1c(C(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccc(Cl)cc2)n1Cc1ccc([N+](=O)[O-])cc1 45497774 KGQZPZBQVRXWOJ-UHFFFAOYSA-N 482.323 5.442 5 1 JKBF CC(C)CCOc1cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2cc1Br 586969195 OKMAXKROTYQKPY-UHFFFAOYSA-N 492.439 7.074 5 1 JKBF O=C1c2ccccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(I)cc1F 653833341 DUKIAKDUEMZOQO-UHFFFAOYSA-N 476.201 5.423 5 1 JKBF O=[N+]([O-])c1ccc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(C(F)(F)F)c1 962965260 ZXWXMCUMPJGLLW-SFHVURJKSA-N 460.374 5.373 5 1 JKBF C[N+](C)(C)CCCCCCCCCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21 15607914 VMVDKYYLBXQMAD-UHFFFAOYSA-O 484.732 6.939 5 1 JKBF in-vitro O=C(O)c1cc2[nH]c(C(F)(F)c3ccccn3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587090153 MIGYGDHMZFDZFX-UHFFFAOYSA-N 499.429 5.380 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1c(Oc4ccc(C)cc4[N+](=O)[O-])n(C)c4ccccc14)[C@@H](C2)C3=O 587434107 RFPSYXBMBAEWKA-HFJWLAOPSA-N 470.481 5.685 5 1 JKBF COC(=O)c1ccc(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])cc1 587512497 YIMOAMBGUKGPKD-RUZDIDTESA-N 473.481 5.759 5 1 JKBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCc1ccccc1 587575911 LHHXVEJWACYMHB-LSYYVWMOSA-N 499.475 5.591 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1SC1CCCCC1 587611199 FTIFDCULUZVUHL-ZEQKJWHPSA-N 477.538 6.428 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Br)cc2[N+](=O)[O-])N1 587681371 SHAMHAKCMGHGOV-YPMLDQLKSA-N 472.152 5.251 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 587696545 PQLIETQGCTUPHS-WVDJIFEKSA-N 465.706 6.033 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1 587719110 KGMOYNYTCKTLRV-MLCYQJTMSA-N 477.252 5.387 5 1 JKBF O=C1C[C@H](C(=O)N2CCc3ccccc3[C@H]2C[N+]2(CC3CC3)CCCC2)c2cc(Cl)ccc21 653812676 PLJNHMRNAYEVHD-IZZNHLLZSA-N 464.029 5.157 5 1 JKBF CC(C)N(CCNCc1c2ccccc2c(CNCCN(C(C)C)C(C)C)c2ccccc12)C(C)C 28761478 WUXBPYDKOIOJKH-UHFFFAOYSA-N 490.780 6.410 5 1 JKBF Cc1cc(C(=O)c2ccc(Cl)c(Cl)c2)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1O 29242305 QSBBICBLFIWYOC-UHFFFAOYSA-N 479.703 6.052 5 1 JKBF O=C1c2ccccc2C(=O)N1CCCCCCCCCCOc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 58581703 JNCYEONIEVRIPK-UHFFFAOYSA-N 493.387 6.697 5 1 JKBF Cc1oc(-c2cnc(NCCc3ccccc3F)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174664 FDPKKSHQNPJPRD-UHFFFAOYSA-N 495.514 6.476 5 1 JKBF C[C@H]1[C@@H]2C[C@@H](C[C@H]1Nc1ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n1)C2(C)C 105176911 VBOKWFGISNRBSQ-SADXERRJSA-N 491.636 5.653 5 1 JKBF O=C(O)c1cc2[nH]c(-c3ccc(O)cc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587055811 XRALAVPZOIVTAM-UHFFFAOYSA-N 498.878 5.871 5 1 JKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587069187 CVVBRGWWSIWXAP-QYKWCYDGSA-N 457.404 8.542 5 1 JKBF CN(CCc1nc2c3cccnc3c3ncccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587194639 WPIDLQRGUUQFIU-UHFFFAOYSA-N 499.574 6.083 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)N1 587748273 TUEWZCNNJAMNSU-LAJNKCICSA-N 461.287 5.292 5 1 JKBF Cc1c(OC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc2c1oc(=O)c1ccccc12 587836976 CQKFTIPUIPLDIX-RXBISOJRSA-N 496.376 5.985 5 1 JKBF COc1cccc(C(=O)c2ccc(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)cc2)c1 587931374 IGBFUMVVIZCOKA-UHFFFAOYSA-N 452.264 5.140 5 1 JKBF Cc1ccc([C@@]2(c3cccc([N+](=O)[O-])c3)NC3(CC3)Cc3ccc(Br)cc32)nc1 961318072 FJTKEJQLXFXROQ-QHCPKHFHSA-N 450.336 5.031 5 1 JKBF CCc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)s1 105198100 YGPFTUTYVKAOBE-ACRWPFGISA-N 463.607 6.220 5 1 JKBF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586937534 QDEMFCGZJVPXHN-LJQANCHMSA-N 491.642 5.049 5 1 JKBF COc1cc(C)ccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587925371 NRGNJFOMWGKULL-UHFFFAOYSA-N 492.487 5.829 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587959125 JDVKSLGFQCQWQL-XSCOUVMYSA-N 482.068 8.979 5 1 JKBF CCc1cc2c3ccc(OC)c(OC)c3c(-c3ccccc3)[n+]3c2c2c(cc4c(c12)OCO4)CC3 1857605750 NZHUMQODQLYDEB-UHFFFAOYSA-N 464.541 5.965 5 1 JKBF CC(=O)Oc1cc2c3cc(OC(C)=O)c(OC(C)=O)c4cccc(c5cccc(c1OC(C)=O)c52)c43 13650837 XKISCXVSQWUZAP-UHFFFAOYSA-N 484.460 5.438 5 1 JKBF Cc1ccc(CNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 82150030 HKCIKKKZNUPDQX-UHFFFAOYSA-N 465.554 5.320 5 1 JKBF CCOC(=O)/C(C)=C(\C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 103221557 SKWMRSGABDORKM-VAWYXSNFSA-N 487.814 6.073 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2cc(S(C)(=O)=O)ccc2c2cc(Cl)c(Cl)cc12 169338935 DLHYNYBQMXXJFY-RUZDIDTESA-N 496.500 6.639 5 1 JKBF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc5nc6ccccc6nc5cc4[nH]3)c(Cl)cc12 587078337 OGNOMVHWHLZZIJ-CQSZACIVSA-N 484.943 6.512 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587082443 OKOWYMPWPZXALR-UHFFFAOYSA-N 479.721 6.769 5 1 JKBF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2)cc1F 587146951 AOTVSUMDQQPZFG-UHFFFAOYSA-N 497.324 5.380 5 1 JKBF COc1cccc(-c2cc(-c3cc4c(=O)c5ccccc5oc4nc3C)nc3c2oc2ccccc23)c1 587364267 ZHKIORLSRCHVKI-UHFFFAOYSA-N 484.511 7.287 5 1 JKBF CC(C=CC=C(C)C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C 2356521354 UGJYMKZYSUMAKJ-UHFFFAOYSA-N 498.751 10.110 5 1 JKBF Cc1cc(OCCCCCCC[N+](C)(C)Cc2ccc(Br)o2)c(C(C)C)cc1Cl 59717878 KDZSEFISRIVCRP-UHFFFAOYSA-N 485.914 7.733 5 1 JKBF COc1ccc(CCn2c(=O)c3ccccc3c3nc4ccc(NCc5ccncc5)cn4c32)cc1 103232347 MHYURDIYQBODSW-UHFFFAOYSA-N 475.552 5.061 5 1 JKBF CCOc1cc(/C=C\c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(Br)c1OC 586978458 SPXBUIXHUMDUCN-PLNGDYQASA-N 497.143 5.574 5 1 JKBF O=c1c(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 587110644 FBRDPBYRYAKTRP-UHFFFAOYSA-N 482.340 5.386 5 1 JKBF COc1cc(N=c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)ccc1Br 1857631398 SPRPHOGHAQYAGS-UHFFFAOYSA-N 451.280 5.142 5 1 JKBF CCN(CC)c1ccc2cc(C3=NN(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)C3)c(=O)oc2c1 1857641913 SXTRCEYAXMCPBX-AREMUKBSSA-N 482.540 5.903 5 1 JKBF CC(C)=CCC[C@](C)(O)[C@H]1Cc2c(c(CC=C(C)C)c(O)c3c(=O)c4cc(O)ccc4oc23)O1 1857645742 DKJQBBIHCDRRLL-DFHRPNOPSA-N 464.558 5.667 5 1 JKBF CC=C(C)[C@@H]1C(C)=C[C@H]2[C@@H]([C@@H](C)CC[C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C=CC=CC(=O)OC 2356873602 ZMVFZQUHAVPKMC-GCDZTSCQSA-N 493.600 6.226 5 1 JKBF COc1c(O)cc2oc3c(C/C=C(\C)CO)c(O)cc(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C 33956953 OCKLFXKYZPPEFU-BEQMOXJMSA-N 494.584 5.788 5 1 JKBF CCCCn1c(=O)c2ccccc2c2c(OC)c(C(O)(C(F)(F)F)C(F)(F)F)c3c(c21)OCO3 71316265 KHEUBNRTDWDQCM-UHFFFAOYSA-N 491.384 5.004 5 1 JKBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135101 XWGVYMWHXFYKFE-QZTJIDSGSA-N 451.571 5.447 5 1 JKBF CC(C)CN(C)c1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 82147874 JPLMIAOZILGWEO-UHFFFAOYSA-N 487.482 5.093 5 1 JKBF O[C@@H](C[C@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2ccc(Cl)cc12 169337842 XWUOPMDUJBLJRP-QRWLVFNGSA-N 475.860 7.250 5 1 JKBF O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1coc2cc([N+](=O)[O-])ccc12 587279817 BPRRLGUEIXPCFI-UHFFFAOYSA-N 463.393 5.775 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])N1 587743984 CGZIIFZSVWPTRV-MCMMXHMISA-N 457.299 5.912 5 1 JKBF O=C(Nc1cc([N+](=O)[O-])c(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1O 1911576483 JUENEGXMKCOLKV-UHFFFAOYSA-N 498.662 6.213 5 1 JKBF Oc1ccc2c(c1)sc1c3ccccc3n(Cc3ccc(OCCN4CCOCC4)cc3)c21 28525170 HZGJIOSMWNHYMM-UHFFFAOYSA-N 458.583 5.474 5 1 JKBF C[N+](C)(C)[C@@H]1CCCC[C@@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1CCCCC1 28712521 ZBEORDZSEHCNHX-FTJBHMTQSA-O 472.671 7.539 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587055397 QAUQBBIDKFNRMS-MRXNPFEDSA-N 456.808 5.150 5 1 JKBF Clc1ccc(CC/C(=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc2)cc1 587073546 KPXXVNNEQBBGBI-LTGZKZEYSA-N 460.968 7.486 5 1 JKBF Fc1ccc(-c2cn3c(Cc4nc5c6cccnc6c6ncccc6c5[nH]4)csc3n2)cc1 587166161 NUYLUGOHKXOQEK-UHFFFAOYSA-N 450.502 5.765 5 1 JKBF CC(C)(C)OC(=O)N[C@]1(c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239140 IKLCFXHTXQMPTO-OGQCEUPSSA-N 471.601 6.424 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 587574377 GBSCPYORQJCAQK-OZXSUGGESA-N 455.422 5.796 5 1 JKBF CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)NC2(CC2)Cc2ccc(Br)cc21 961324753 OELLPCZNLRMGCG-DEOSSOPVSA-N 482.353 5.508 5 1 JKBF CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4053074 GWYKITWEAWXSQX-ILBGXUMGSA-N 493.947 5.098 5 1 JKBF Cc1cc(O)cc2cc(-c3ccc(OCCN4CCCCC4)cc3)c3cc(C(=O)C(C)C)ccc3c12 13494068 NMCYTKMBDGTVBT-UHFFFAOYSA-N 481.636 7.377 5 1 JKBF Cc1cccc2c1[C@@](OCC1(CO)CC1)(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C2=O 72126116 JRJAXLIKCKAKBZ-MHZLTWQESA-N 492.959 5.203 5 1 JKBF CCN(Cc1ccccc1)C(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1cccc([N+](=O)[O-])c1 82136198 XTEOEZBZELWQAZ-UHFFFAOYSA-N 495.583 5.677 5 1 JKBF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c(=O)oc2c1C 586918952 VRCQAXRXSHRNHO-UHFFFAOYSA-N 467.909 5.784 5 1 JKBF CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587055304 ANWIQVXHVBHCPF-GUYCJALGSA-N 493.347 5.907 5 1 JKBF CCCCCOc1cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2cc1Br 587116255 AUXHXDAIRWYCMY-UHFFFAOYSA-N 490.280 5.375 5 1 JKBF Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587540457 AITFLANBBQLZPK-SHQCIBLASA-N 487.895 6.168 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 587710094 FHNJIOXIBUWJQX-MLCYQJTMSA-N 461.253 5.507 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 587751976 PEKFRKZILXWSIC-JBEBIEQOSA-N 480.337 6.064 5 1 JKBF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1ccc(Oc2ccc(Cl)c(C)c2)c([N+](=O)[O-])c1 963236836 YEWYGGDGTBHOJT-PPHZAIPVSA-N 464.993 7.269 5 1 JKBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)CCC=C(C)C)C[C@H](O)C(C)(C)O4 2356648228 SZJVILSJACSJTP-QHCPKHFHSA-N 494.584 5.676 5 1 JKBF O=C1c2c(c3c4ccccc4n(C[C@@H]4CO4)c3c3[nH]c4ccccc4c23)C(=O)N1Cc1ccccc1 17194339 OFQDNQXFLVBEHM-GOSISDBHSA-N 471.516 5.624 5 1 JKBF COCCN1C(=O)CC[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@H]1c1ccccc1Cl 587063059 MDWYNZKFWKFQBA-NEKDWFFYSA-N 483.999 6.616 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3nc([N+](=O)[O-])c(Cl)c3C)c1)CC2=O 587461002 IODJWIXJZSOJKU-OAQYLSRUSA-N 485.924 5.175 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCc3ccc(C(=O)Nc4ccccc4)cc3)c2c1 1857571418 DZGCGSSFEWJSIR-UHFFFAOYSA-N 467.956 6.336 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c(oc5ccccc54)c(NC[C@@H]4CCCO4)c3c2)cc1 1857758033 KUEZXBHOTVBBSH-SHBDEGQCSA-N 466.606 7.617 5 1 JKBF C=COCCCCCCCCCCCCCCO[P@@](=O)(O)OCC[N+]1(C)CCCCC1 26576398 VRZDTVIWVCZXEF-UHFFFAOYSA-O 462.632 6.592 5 1 JKBF O=C(Nc1ccccc1-n1cc(Br)cn1)c1cccc2c1C(=O)c1cc([N+](=O)[O-])ccc1-2 45385953 BPEPCCJDRRVVLR-UHFFFAOYSA-N 489.285 5.007 5 1 JKBF C[C@H]1C[C@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82174632 ZCMSORVYCKOYAE-ROUUACIJSA-N 471.586 6.325 5 1 JKBF CCOC(=O)c1nc(Nc2cc(Oc3ccccc3C(F)(F)F)cc([N+](=O)[O-])c2)c2ccccc2n1 299822413 IMXWKLCHGDMVFC-UHFFFAOYSA-N 498.417 6.269 5 1 JKBF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587018470 CQYLVHQYILEVLJ-UHFFFAOYSA-N 488.443 8.626 5 1 JKBF Cc1c(Br)ccc([N+](=O)[O-])c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537382 DQASYCPXHVVVDA-GHTZIAJQSA-N 456.248 5.074 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(ccc4ccccc43)oc2=O)N1 587839594 FWWZGJXOIDDGMD-YEBMWUKDSA-N 452.323 5.646 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1 587844045 LRBWNQDRPCITKM-XMHCIUCPSA-N 479.415 6.545 5 1 JKBF COc1ccc2c(c1OC)[C@]1(c3ccccc3CC[C@H]1c1ccc([N+](=O)[O-])c(F)c1)N(C)[C@@H](C)C2 962628269 ORYPYCPOMBTZFR-JMWMNHOVSA-N 476.548 5.601 5 1 JKBF CN1CCc2c(Br)cccc2[C@@]1(CCC(C)(C)[N+](=O)[O-])c1ccc(Cl)cc1 963280141 NASBQLUUYBPOBR-OAQYLSRUSA-N 451.792 5.670 5 1 JKBF CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4053067 GWYKITWEAWXSQX-ZCYQVOJMSA-N 493.947 5.098 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2cc(Br)ccc2c2cc(C(F)(F)F)ccc12 169338541 OBAXDZCVTVJYOO-XMMPIXPASA-N 496.411 7.710 5 1 JKBF COc1cc2cc(C(=O)[C@@H]3CC[N@@+](C)(Cc4ccccc4)CC[C@@H]3OC)sc2cc1OC 261161913 RANOFWRVYDDHPM-PBDKAQRYSA-N 454.612 5.173 5 1 JKBF O=C1c2ccccc2-c2cc(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc3ccc(O)c1c23 586988091 YJCUZEJECYYVSY-UHFFFAOYSA-N 451.482 5.717 5 1 JKBF Cc1cc(N(C)Cc2nc3c(Br)ccc(Br)c3[nH]2)c([N+](=O)[O-])cc1F 587137149 QEDVJHQPLDJCAX-UHFFFAOYSA-N 472.112 5.080 5 1 JKBF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 587340447 HTGOKWPAIQCIRV-AHKZPQOWSA-N 455.441 5.742 5 1 JKBF CC(C)=CCC/C(C)=C/Cn1c2ccccc2nc2c(C(=O)O)c3oc(=O)c(-c4ccccc4)c3cc21 13375847 BHHZMNGABXTHMA-CAPFRKAQSA-N 492.575 7.354 5 1 JKBF O=C(Nc1ccc(Oc2ccc(SC(F)(F)F)cc2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1O 29216889 KAIHFYCUGVHYLV-UHFFFAOYSA-N 484.839 6.610 5 1 JKBF COc1ccc2c(CN3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)cc3cc4c(cc3c2c1)OCO4 43077290 MYPJNZRDBUGAJO-SFHVURJKSA-N 478.589 5.467 5 1 JKBF O=C1[C@H](Cc2ccccc2)N=C(c2ccccc2)c2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 66136673 WUHMNWNDLLMJSM-SANMLTNESA-N 461.521 5.590 5 1 JKBF Cc1cccc2c1[C@](OCC1(CO)CC1)(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C2=O 72126115 JRJAXLIKCKAKBZ-HHHXNRCGSA-N 492.959 5.203 5 1 JKBF C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118933873 XOFUBFKYDOPJSX-BEIWKSMYSA-N 480.649 5.582 5 1 JKBF Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]c(=S)n3)cc2)cc1 299863314 KXSOLZRPMUDQHL-UHFFFAOYSA-N 478.555 5.491 5 1 JKBF CCCCOc1cc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2cc1Br 586979358 BCKQBEMPCLUFLZ-UHFFFAOYSA-N 483.160 6.150 5 1 JKBF Cc1ccc2oc3nc(C)c(-c4cc5c6c(ccc(C)c6n4)C(=O)c4ccccc4-5)cc3c(=O)c2c1 587095902 CRJMIAUWUWEJDO-UHFFFAOYSA-N 468.512 6.693 5 1 JKBF O=C(Nc1cccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 587244092 LONFCKCWLMZZMW-UHFFFAOYSA-N 491.507 5.818 5 1 JKBF Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)cc12 587280164 MBEQVUHNHLCATD-UHFFFAOYSA-N 471.416 6.300 5 1 JKBF COc1cccc(-c2cc(/C(=C/N(C)C)n3cc([N+](=O)[O-])cn3)nc3c2oc2ccccc23)c1 587363570 UGGARRDSZLICOR-JCMHNJIXSA-N 455.474 5.170 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587779403 SCAORTKTYSSICH-FNODVLLQSA-N 467.338 5.349 5 1 JKBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCCC2OCC(C)(C)CO2)(c2ccc([N+](=O)[O-])cc2)N1 962947570 BZGGANRBFGLZGV-PIIWDFAUSA-N 477.605 5.813 5 1 JKBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)c1cc([N+](=O)[O-])ccc1-c1nn(C)c(C(C)(C)C)c12 962955692 XZFDPTSEEXZBNA-QZXCRCNTSA-N 455.562 5.304 5 1 JKBF Cn1c(=O)c2sc3cc4c(cc3c2c2ccccc21)sc1c(=O)n(C)c2ccccc2c14 1651650 LQENZDHYIXLQTE-UHFFFAOYSA-N 452.560 6.126 5 1 JKBF COc1ccc2oc3c(C/C=C(\C)CCC=C(C)C)c(O)c(CC=C(C)C)c(O)c3c(=O)c2c1 71294482 MIPRKJUEDRDLKR-YBFXNURJSA-N 462.586 7.110 5 1 JKBF Cc1ccc(C(C)C)c(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])c1 587509686 IPPGQKCNEYDZEL-HHHXNRCGSA-N 471.553 7.404 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn12 587574279 DXMQKRFRLYXEEC-WXVAWEFUSA-N 479.448 5.318 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 587576245 NQJIYNAGUKTYPZ-LEAFIULHSA-N 493.475 5.277 5 1 JKBF Oc1ccc([C@@H]2c3c(O)cc(O)c4c3c(cc3ccc(O)cc34)[C@@H]2c2cc(O)cc(O)c2)cc1 2356439941 IOZHXVGEYABNFO-DQEYMECFSA-N 452.462 5.504 5 1 JKBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCc2ccccc2)cc1 774402 AQMWAYCICZEBQE-UHFFFAOYSA-N 463.877 5.509 5 1 JKBF CC(C)(C)c1ccc([N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc32)cc1 13677732 YVDJXASFHISGNT-UHFFFAOYSA-N 452.087 7.897 5 1 JKBF O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 14946803 MPUMTBUHRGQVPE-UHFFFAOYSA-N 496.544 6.635 5 1 JKBF Oc1ccc2c(c1)sc1cc3ccc(O)cc3c(-c3ccc([C@H](O)CCN4CCCCC4)cc3)c12 28359908 VGFUTXNYAMRULN-AREMUKBSSA-N 483.633 7.195 5 1 JKBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)c(Cl)c3)cc1)C2 45284632 KQPNDDSYIOAIQH-HNNXBMFYSA-N 453.804 5.108 5 1 JKBF CCC(O)(CC)[C@H](Cc1cn(C)c2ccccc12)NCc1c2ccccc2cc2ccccc12 71329209 JYNXEHZZFIFQSI-PMERELPUSA-N 450.626 6.737 5 1 JKBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136052 AXAZQQPEKYILQR-OYRHEFFESA-N 487.604 5.585 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(I)cnc(Cl)c2[nH]1 586969568 VGGUESPPNJUJEX-UHFFFAOYSA-N 488.738 5.539 5 1 JKBF Nc1c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)sc2cc(Br)ccc12 587030443 FEOCYQLXRHAGKI-UHFFFAOYSA-N 468.130 5.460 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)c(F)cc2[nH]1 587054932 NGIFMTMIAHIJGE-MRXNPFEDSA-N 469.698 5.153 5 1 JKBF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587231044 LGVKZBRDOCBBOE-UHFFFAOYSA-N 474.524 5.549 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccc([N+](=O)[O-])cc3)c1)CC2=O 587471516 SJRUBGMQGOFORB-VWLOTQADSA-N 463.486 5.547 5 1 JKBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1[N+](=O)[O-] 587513263 QYOPUGTXJZYFMZ-RUZDIDTESA-N 459.498 5.768 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(F)cc3)c2c1 587621604 WUXLAFUNIOTDBP-UHFFFAOYSA-N 455.467 5.000 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2[N+](=O)[O-])N1 587677140 GVZYTGJJXQXEQX-HUTHGQBESA-N 458.125 5.057 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 587731181 KREILHLNEIWINF-VERVWZFWSA-N 491.357 6.410 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccco2)(c2cccc([N+](=O)[O-])c2)N1 587747994 RGVDONHZXYMDRD-AJNCUWMLSA-N 457.299 5.581 5 1 JKBF CC(=O)C[C@H](O)/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 14685506 IMAVGDVEEYAALY-CIRUOWOLSA-N 490.728 7.834 5 1 JKBF endogenous,in-man O=c1ccc2cnc3ccc(-c4cnc5[nH]ccc5c4)cc3c2n1-c1ccc(F)c(C(F)(F)F)c1 71318478 RTZKABKOVHLAGP-UHFFFAOYSA-N 474.417 6.240 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135232 BTQHAZLKVAJYSN-UHFFFAOYSA-N 473.577 5.767 5 1 JKBF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2)c1C 586947021 IQRCMHGYPJRMLZ-UHFFFAOYSA-N 479.565 5.744 5 1 JKBF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586994958 BGVACYZIEPJSJL-UHFFFAOYSA-N 455.106 5.310 5 1 JKBF O=C(c1ccc(Cl)cc1Cl)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587644776 NHTWTHGYBLFXEP-UHFFFAOYSA-N 480.134 7.588 5 1 JKBF COc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c(C)c1[N+](=O)[O-] 587696361 TZBNRIMVEAPHNL-HOGDKLEQSA-N 457.727 5.265 5 1 JKBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(OC(C)(C)C)cc(Cc2ccccc2)c1O 587943259 SFHYMICPWMNOBO-UHFFFAOYSA-N 477.330 6.069 5 1 JKBF COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3c(=Nc3cccc(C(F)(F)F)c3)[nH]2)cc1OC 1857636929 KBNBLIKPFREOGK-UHFFFAOYSA-N 470.407 5.407 5 1 JKBF CC(C)(C)OC(=O)Nc1ccccc1Cn1cnc2c(SCc3ccc([N+](=O)[O-])cc3)ncnc21 13584437 QAPPWRBNBDGVEZ-UHFFFAOYSA-N 492.561 5.422 5 1 JKBF CC(C)(C)OC(=O)C[C@@](C)(O)C[C@H](O)CSc1nc2c3ccccc3c3ccccc3c2[nH]1 27441160 SJVNCXHIUZEQPS-QMTYFTJSSA-N 466.603 5.195 5 1 JKBF CC1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82148053 HCFBYGDUSWGKSO-IHIBHSRISA-N 477.609 5.089 5 1 JKBF Cc1ccc(CCNc2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82148489 ROKBWUWAIQXXKX-CYFREDJKSA-N 473.577 5.323 5 1 JKBF CC1CCN(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 82149478 ZGDVPMWOZCDFSS-WTYSZDEDSA-N 477.609 5.407 5 1 JKBF CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]12 103170833 AVXDWKDDLIXKGO-VJBWXMMDSA-N 488.598 5.572 5 1 JKBF C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@H]1C2(C)C 105190604 FMLQWWGQNCQFBY-HHRWBCNNSA-N 485.613 6.811 5 1 JKBF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c5cccnc5c5ncccc5c4[nH]3)c(Cl)cc12 587078283 NLOIQBSPSWZHOL-CQSZACIVSA-N 484.943 6.512 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2cc(F)ccc2[N+](=O)[O-])o1 587571393 NTCOLIUXWOVHHB-RDGATRHJSA-N 477.400 5.314 5 1 JKBF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587627021 LUDBNKWEBVGRBP-DHIUTWEWSA-N 474.900 5.896 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 587700022 UFNOPQKFGDPNJY-IPQOISQHSA-N 491.744 6.566 5 1 JKBF CC(=O)[C@H]1O[C@@]1(O)/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 13397687 YDOUJCMZGQTKDH-WWZPIADTSA-N 488.712 8.199 5 1 JKBF endogenous,in-man CC(C)=CCc1c2c(c3oc4c(O)c5c(cc4c(=O)c3c1O)C=CC(C)(C)O5)C(C)(C)[C@@H](C)O2 13460092 VBWKXAHEYPUSJZ-CQSZACIVSA-N 462.542 6.109 5 1 JKBF biogenic CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc([N+](=O)[O-])c1 82136070 PEYCJXNCTOOONG-UHFFFAOYSA-N 453.587 5.042 5 1 JKBF COc1cc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)ccc1OCc1ccc([N+](=O)[O-])cc1 84687914 SRFRLBUFCPZIQY-UHFFFAOYSA-N 494.485 5.433 5 1 JKBF COc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(I)c1 587179613 CFKLOORDYWMROR-UHFFFAOYSA-N 450.279 6.150 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 587737515 XYTQIYXJMLXWTQ-IPQOISQHSA-N 493.735 6.115 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1 587743463 ARHMNPUSKPIYLI-WHEQGISXSA-N 457.299 5.912 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)N1 587748332 UPYVEUVQPDLZKK-MCMMXHMISA-N 485.309 5.339 5 1 JKBF COc1cc2c(cc1OC1CCCC1)C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N=C2c1ccccc1 1857560971 MRDGCBFFEIWTKT-XMMPIXPASA-N 485.540 5.326 5 1 JKBF CC(C)C[C@@H](NC(=O)[C@H](COc1ccc([N+](=O)[O-])cc1)Cc1ccccc1)C(=O)Nc1ccccc1 5837645 UVQXHBQLIZCPJS-BKMJKUGQSA-N 489.572 5.002 5 1 JKBF C[N+](C)(C)c1ccc(C(=O)OCCCCCCn2ccc3cc(OCc4ccccc4)ccc32)cc1 27086967 NZXHPNQKXOQQEI-UHFFFAOYSA-N 485.648 6.834 5 1 JKBF CCCCCc1nc2cc([N+](=O)[O-])ccc2n1Cc1cccc2c1ccn2-c1ccccc1C(=O)O 169310198 CSXXIFVIFCAYQC-UHFFFAOYSA-N 482.540 6.368 5 1 JKBF O=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)s1 473152251 STNGXKUJKRJGGA-UHFFFAOYSA-N 480.523 5.061 5 1 JKBF CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587197292 DAVXJULXYWLFMB-UHFFFAOYSA-N 490.519 6.523 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC1 587269231 IXLHXLVXDOYSCB-UHFFFAOYSA-N 497.271 5.272 5 1 JKBF O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)c1coc2cc([N+](=O)[O-])ccc12 587280133 KPJYDOXJYXKSFF-UHFFFAOYSA-N 452.348 5.301 5 1 JKBF COc1cccc(-c2cc(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587358056 OELKOVLZUWBXFT-UHFFFAOYSA-N 487.899 6.399 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1ccc([N+](=O)[O-])cc1)O2 587371258 JUWIZVHMZZATIS-JOCHJYFZSA-N 453.292 5.157 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2[N+](=O)[O-])N1 587678184 JTTXDUSHLDLSKS-VVVCHXIZSA-N 458.125 5.057 5 1 JKBF O=C(O[C@@H]1C[N+]2(CCCc3cccc(Cl)c3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857553696 FYYKZWOYOHYKPH-WAVDKVAFSA-N 491.051 5.361 5 1 JKBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135112 AUMBQIADWCOEDG-RBUKOAKNSA-N 465.598 5.695 5 1 JKBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135334 CKXODFYDRSDFNM-RBUKOAKNSA-N 491.567 5.496 5 1 JKBF Cc1oc(-c2cnc(NC[C@H]3CCCO3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163600 PGLHVMAJJKAMKE-HXUWFJFHSA-N 457.490 5.273 5 1 JKBF O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2c(c(-c3ccccc3)nn2C(=O)C2CCCCC2)C1 96932263 HSGDMRQNDFQZHR-UHFFFAOYSA-N 473.533 5.269 5 1 JKBF CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc([N+](=O)[O-])ccc6[nH]5)cc4)nc(O)c23)C1 587038159 MAKIKHSSPFHOOB-ZDUSSCGKSA-N 471.542 6.030 5 1 JKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(Br)ccc(Br)c2[nH]1 587110069 RKGQFKRBXLQWHN-UHFFFAOYSA-N 479.050 5.606 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)cc(Cl)c2[nH]1 587264457 RZCAQIGYYJMXRJ-VIFPVBQESA-N 468.691 5.238 5 1 JKBF CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587749842 ZTBWHFWFQBMHKN-MZFXBISCSA-N 481.362 5.554 5 1 JKBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(Br)cc1OCc1ccccc1 587939438 CSUYAFCHJROTCA-MRXNPFEDSA-N 489.366 5.954 5 1 JKBF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2ccc3ccc4cccc5ccc2c3c45)N1 962635070 OFERBDQTUZFGGT-NLFFAJNJSA-N 461.439 6.171 5 1 JKBF COc1cc([C@H]2NCCc3cc(-c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1[N+](=O)[O-] 962659998 BWINKRBJYUFJES-SSEXGKCCSA-N 480.564 6.393 5 1 JKBF OCC1CCN(Cc2cc3cc4c(cc3c3cc(OCc5ccccc5)ccc23)OCO4)CC1 28706275 RSVWOVBUGPNVRB-UHFFFAOYSA-N 455.554 5.505 5 1 JKBF O=C1CCC[C@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC1 586884753 IRTPKSSSEUKXCG-AWEZNQCLSA-N 482.492 5.462 5 1 JKBF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c4ccccc4c4ccccc4c3[nH]2)CC1 587091025 FUEKRNIQVJLZEX-UHFFFAOYSA-N 499.533 6.674 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3cccc(I)c3[nH]2)cc([N+](=O)[O-])c1 587135852 PUUUZIXPHGKNRH-UHFFFAOYSA-N 473.245 5.857 5 1 JKBF C[C@@]1(Cc2ccc(Br)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323910 UQFUVOMXPMGSKY-GGAORHGYSA-N 486.293 5.562 5 1 JKBF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C 587499145 HOHJOTDHELTBLC-QFIPXVFZSA-N 481.936 5.395 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 587573758 XHLVBBUDNJSVSC-OZXSUGGESA-N 457.413 5.345 5 1 JKBF C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587839644 GBLPVKXOMRPFBW-CFAZGSRYSA-N 496.376 6.065 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@@H]3c3ccccc3F)c2c1 1857640364 MZHGHFMEBFWJRC-AREMUKBSSA-N 496.007 5.687 5 1 JKBF CC[C@H](C)CCCCC[C@@H](C(=O)OC)[C@H](O)c1cccc2nc3c(C(=O)OC)cccc3nc12 2356644975 ZDFPHWFJRDWIPF-WVFSIPRWSA-N 466.578 5.389 5 1 JKBF CCCN(CCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1cccc(OC(=O)NC)c1 13781337 LGGHQISBZXMDCF-UHFFFAOYSA-N 474.557 5.346 5 1 JKBF Cc1nc2c(-c3ccc(Cl)cc3)nc3ccccc3c2c(=O)n1-c1cccc(Br)c1 28646038 SVCIRRHEWQUNQA-UHFFFAOYSA-N 476.761 6.325 5 1 JKBF Oc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccccc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1 34643542 VHHTYYIMWHZHPJ-UHFFFAOYSA-N 478.555 7.695 5 1 JKBF CCc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163924 IIRNYEUSSREKBR-UHFFFAOYSA-N 465.966 6.046 5 1 JKBF Cc1ccc2oc3nc(C)c(-c4cc5c6c(c(O)ccc6n4)C(=O)c4ccccc4-5)cc3c(=O)c2c1 586988019 KRXDBAFEIUEGNZ-UHFFFAOYSA-N 470.484 6.090 5 1 JKBF Cc1ccc(-c2csc3ncnc(SCc4nc5cc([N+](=O)[O-])c([N+](=O)[O-])cc5[nH]4)c23)cc1 587039453 UPVUJIMTRGJAPV-UHFFFAOYSA-N 478.515 5.652 5 1 JKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 587268761 DGDFSFJTHQPBHY-UHFFFAOYSA-N 455.234 5.520 5 1 JKBF Cn1ccnc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325226 CWROOZMGVFJXKS-RCZVLFRGSA-N 493.878 5.129 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587783685 FECWXGNBJBAFII-DHZHZOJOSA-N 450.292 5.983 5 1 JKBF CN(CCCCCCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1ccccc1[N+](=O)[O-] 28640684 LBPFDUWOEXLOIT-UHFFFAOYSA-N 474.557 6.316 5 1 JKBF CCN(CC)CCC[C@@H](C)Nc1cc(/C=C\c2ccc([N+](=O)[O-])cc2)nc2cc(OC)ccc12 64245789 LJBAIPFUPVEHGJ-FNUUXAGOSA-N 462.594 6.244 5 1 JKBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148374 RYMJPLLMAJRVNH-ZWKOTPCHSA-N 451.571 5.447 5 1 JKBF CCOc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163753 NYDXDZMXXWJQIQ-UHFFFAOYSA-N 475.574 5.845 5 1 JKBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCc2ccc(-c3ccccc3)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 169723593 YOLJACOKHSYUOL-BDYUSTAISA-N 498.535 5.627 5 1 JKBF Cc1c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979988 LSDPQAMVQBKXET-UHFFFAOYSA-N 465.332 6.486 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cc1[N+](=O)[O-] 587160813 DOBJDXXLWWIKHC-UHFFFAOYSA-N 474.202 5.135 5 1 JKBF CCOc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC 587668452 MDSQLYASYQRACK-UHFFFAOYSA-N 499.445 5.777 5 1 JKBF Oc1nc2cc3ccccc3cc2cc1[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817506 NXASEUZBWJZXAJ-LJAQVGFWSA-N 471.560 6.389 5 1 JKBF COc1cccc(-c2ccccc2Cn2cnc3c(SCc4ccc([N+](=O)[O-])cc4)ncnc32)c1 13584466 HHMGOAOOXHDRDW-UHFFFAOYSA-N 483.553 5.751 5 1 JKBF O=[N+]([O-])c1ccc(CCSc2nc3c(Br)cc(Br)cc3[nH]2)cc1 139802997 ZSQLSNLOAAFMBJ-UHFFFAOYSA-N 457.147 5.331 5 1 JKBF CCCN(CCC)CC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169337986 WUKNBUUYGSINNQ-HSZRJFAPSA-N 471.485 7.576 5 1 JKBF Cc1cc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587059005 KWVARBIKQIERBE-UHFFFAOYSA-N 467.316 5.855 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)cc(Cl)c2[nH]1 587264456 RZCAQIGYYJMXRJ-SECBINFHSA-N 468.691 5.238 5 1 JKBF COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511681 IBVGAKPFSMCOKD-RUZDIDTESA-N 473.481 5.759 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)N1 587726623 YKZAALMDMUCASR-RKFFSXRUSA-N 493.279 6.191 5 1 JKBF C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587839651 GBLPVKXOMRPFBW-RIDFSIMASA-N 496.376 6.065 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)N1 587842730 FVSQBHXQNASRAN-DMZKTXOQSA-N 473.367 6.271 5 1 JKBF Cc1ccc(NC(=S)Nc2ccc(N=c3c4ccccc4[nH]c4ccc(Cl)cc34)cc2)cc1 653773230 DXRFCBBMIOWWGE-UHFFFAOYSA-N 469.013 7.324 5 1 JKBF CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1[C@@H](Cc1ccc(O)cc1)[N+](=O)[O-])OCO3 14614188 RKBDQFXCPXWLKG-ZBLYBZFDSA-N 498.491 5.049 5 1 JKBF biogenic O=[N+]([O-])c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 103948609 WPWJLZRTJYYEKJ-LJQANCHMSA-N 460.515 5.597 5 1 JKBF Oc1ccc([C@@H]2Oc3cc(O)c4c(ccc5ccc(O)cc54)c3[C@H]2c2cc(O)cc(O)c2)cc1 143666280 VDKPOATUEXOWMH-NAKRPHOHSA-N 452.462 5.787 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c1)CC2=O 587473333 SBVYPRBVJGNCPO-HHHXNRCGSA-N 474.513 5.694 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 587753771 WRAKAHISCABUAG-QKFKETGDSA-N 471.326 6.086 5 1 JKBF C[N+](C)(C)[C@H]1CCCC[C@@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1CCCCC1 28712522 ZBEORDZSEHCNHX-UIOOFZCWSA-O 472.671 7.539 5 1 JKBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148458 SFTNOSZRULDTTK-OALUTQOASA-N 465.598 5.695 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 587090946 CTRYUKOOKBOGCO-UHFFFAOYSA-N 485.138 5.256 5 1 JKBF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1COc1cccc([N+](=O)[O-])c1 587579113 YSNXDAWHAQJBMC-LEAFIULHSA-N 499.475 5.591 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 587750608 JCSMYSKNWJOMBM-YTEVENLXSA-N 458.331 5.556 5 1 JKBF CCCC/C=C\c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587965404 LPOHYZSDNWPMAC-WAYWQWQTSA-N 454.482 6.048 5 1 JKBF C[C@@]1(c2ccc3ccc4ccccc4c3c2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957062 LWOFGORNVNXEER-MHZLTWQESA-N 461.527 6.927 5 1 JKBF COc1ccc2c3ccc4c5c(cc6c4c3n(cc-2c1=NC(=O)CC1CCCC1)CC6)OCO5 1857537474 FIVYTKDFLHDZJB-UHFFFAOYSA-N 454.526 5.200 5 1 JKBF NS(=O)(=O)c1cccc(NCc2ccc(Sc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)c1 1911584007 APOXVONPNRYEGN-UHFFFAOYSA-N 484.386 5.312 5 1 JKBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82149842 PQKQRZLRHHOXKP-UHFFFAOYSA-N 487.604 6.095 5 1 JKBF COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]12O[C@@H](CC1(C)C)C[C@]2(C)O 101660692 LTYWXDKNOZKXJR-WVZBASIFSA-N 478.673 6.878 5 1 JKBF C[C@@H]1[C@@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C 105175318 ZNUMGBWEBACCLN-GSGKNRHYSA-N 491.636 5.845 5 1 JKBF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@H]2CCCC[C@@H]21 586960718 NXKQSESASIFEGN-WTNAPCKOSA-N 483.597 5.354 5 1 JKBF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587189283 AZDCGBBCPDCWPN-KRWDZBQOSA-N 461.316 5.190 5 1 JKBF C[C@H](CC(=O)O)[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325008 BNDWGQYOJOAUEL-PUBVHKHVSA-N 499.878 5.458 5 1 JKBF COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587338227 RDAICQCWJGSOIO-PXJZQJOASA-N 499.494 5.945 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])N1 587743986 CGZIIFZSVWPTRV-XMHCIUCPSA-N 457.299 5.912 5 1 JKBF CCN(CC)CCCOc1nc2c3cc4c(cc3ccc2c2cc(OC)c(OC)cc12)OCO4 1857744490 SUCSDSLCJVNKGB-UHFFFAOYSA-N 462.546 5.398 5 1 JKBF O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@@H](O)Cn3cccn3)c(Cc3ccccc3)cc2c1 43013984 LRSOTOUOZRFQRD-VWLOTQADSA-N 484.487 5.595 5 1 JKBF O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1cccc(C(F)(F)F)c1F 96269780 WPASUZBJIGBQSX-UHFFFAOYSA-N 492.432 6.230 5 1 JKBF COc1cc2c3c(c1)O[C@@](C)(c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C)[C@@H](C2)C3=O 587434788 ZQFZSJCYLWBCFF-IZHWHUGBSA-N 454.479 5.089 5 1 JKBF CCOc1ccc(-c2nn(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c(=O)c3ccccc23)cc1OCC 587670402 XCVLYKDNKZZNSN-UHFFFAOYSA-N 499.479 5.204 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 587752688 SXZSGTOWVQDQPD-ZBQBDOQQSA-N 467.338 5.988 5 1 JKBF Cn1cccc1CN1CCc2sccc2[C@@H]1c1ccc(-c2cccc(C(=O)O)c2)cc1[N+](=O)[O-] 962370755 DWXYUZCNRQJTHF-VWLOTQADSA-N 473.554 5.508 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc([C@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)cc2)cc1 962638400 KVVCQBRIHFXMEU-YZNIXAGQSA-N 477.564 6.223 5 1 JKBF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 963233404 TXYREPJTAJRSPH-SSOJOUAXSA-N 453.007 7.145 5 1 JKBF COc1cc2c(cc1OC)CN(CCCCCOc1ccc3c(c1)oc(=O)c1ccccc13)CC2 1857552789 BPLALYGKXIMETG-UHFFFAOYSA-N 473.569 5.571 5 1 JKBF CC1(C)C=Cc2cc(CN(C3CCCCC3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2O1 72182778 QIIYGDHUQPXYNM-UHFFFAOYSA-N 456.564 5.303 5 1 JKBF CC1CCN(c2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 105175430 HCFBYGDUSWGKSO-MZGVDSNGSA-N 477.609 5.089 5 1 JKBF COc1ccccc1[C@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 169345138 KZRFJNGEKILSPF-MQSCRBSSSA-N 451.479 5.448 5 1 JKBF O=C(O)c1cc(-c2nc(-c3cccc(Br)c3)cs2)ccc1-c1ccccc1[N+](=O)[O-] 205009006 QQYQWPFBCJONBM-UHFFFAOYSA-N 481.327 6.513 5 1 JKBF O=C(Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)s1)c1ccccc1F 299826976 FPXCSBCJYQINEW-UHFFFAOYSA-N 481.421 5.205 5 1 JKBF CCN(CC)CCNc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CCN4CCCC4)c3cc12 299862580 JUQYQVICILJOBZ-UHFFFAOYSA-N 498.502 6.499 5 1 JKBF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586982893 ROKZYRHFXVEXHW-KRWDZBQOSA-N 459.391 6.794 5 1 JKBF COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587577073 QXCCYFXMYNLRDG-LSYYVWMOSA-N 483.476 5.409 5 1 JKBF Nc1c([C@]2(c3ccccc3)c3ccsc3CCN2Cc2ccco2)oc2cc([N+](=O)[O-])ccc12 962720005 YCXZBNIYIGHPMX-SANMLTNESA-N 471.538 5.928 5 1 JKBF CCCCNC(=O)OCc1ccc(NCCN(CC)CC)c2c(=O)c3ccccc3sc12 5486921 UFCOQHOONHOAKX-UHFFFAOYSA-N 455.624 5.195 5 1 JKBF COc1cc2cc(-c3ccc(CN(C)Cc4cccc([N+](=O)[O-])c4)cc3)c(=O)oc2cc1OC 28710686 QKFXUJGKQVMLDB-UHFFFAOYSA-N 460.486 5.017 5 1 JKBF Brc1cnc(NCc2ccccc2)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 587000692 PKFUFGLGMWHRNI-UHFFFAOYSA-N 479.381 7.306 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3ccc(Br)nc3[nH]2)ccc1Sc1nc2ccccc2s1 587034930 KAWVURXSIWTLQN-UHFFFAOYSA-N 484.360 6.057 5 1 JKBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587265896 HYIIFNXIFXCADT-ZETCQYMHSA-N 490.192 5.214 5 1 JKBF COc1ccc2c(c1)[C@@](c1ccc([N+](=O)[O-])cc1)(c1ncco1)N(Cc1ccc(F)cc1)CC2 963303300 OPJSZXQPNWCCSY-SANMLTNESA-N 459.477 5.081 5 1 JKBF CC(C)(c1ccc([N+](=O)[O-])cc1)[C@]1(C)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963416026 MMGQHZVWEWWBGI-OUTSHDOLSA-N 497.551 5.421 5 1 JKBF COC(=O)c1ccc(Oc2ccc3nc(-c4cc(Br)cc([N+](=O)[O-])c4C)[nH]c3c2)cc1 586979742 KCAKDGYYFSSTBG-UHFFFAOYSA-N 482.290 5.788 5 1 JKBF Cc1cc2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1[N+](=O)[O-] 587199513 GJMPOFWACFHKOU-INIZCTEOSA-N 456.502 5.721 5 1 JKBF C[C@@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370849 CKXVPWNFFRXCHK-QPPBQGQZSA-N 496.541 5.959 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 587615325 XDSRZAHKOLKZOX-ZEQKJWHPSA-N 477.538 6.428 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587959121 JDVKSLGFQCQWQL-RCHUDCCISA-N 482.068 8.979 5 1 JKBF O=C(Nc1ccccc1C(=O)O)c1ccc(Sc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 1911582829 YZYWESAFZGSQGS-UHFFFAOYSA-N 463.298 6.003 5 1 JKBF O=C1c2ccccc2C(=O)N1CCCCCCCCCCOc1ccc(Cl)cc1[N+](=O)[O-] 58591430 LPTIRFSXQGBGPI-UHFFFAOYSA-N 458.942 6.044 5 1 JKBF COc1cc2c(ccc3c4ccc(OC)c(OC)c4c[n+](C)c23)c(-c2ccc(N(C)C)cc2)c1OC 95563884 CVYCTVBXZVCSTF-UHFFFAOYSA-N 483.588 5.738 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586976724 HDFLFRNYPIDURQ-UHFFFAOYSA-N 461.497 5.229 5 1 JKBF Cc1ccc(Oc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3n2C)c([N+](=O)[O-])c1 587509504 HPHCLHJAZLYJJW-AREMUKBSSA-N 482.536 6.773 5 1 JKBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587847586 UQPBKJMLFIACJV-FATZIPQQSA-N 487.394 6.580 5 1 JKBF CC(=O)C[C@H](O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[C@@H](O)CC1(C)C 2356738287 IMAVGDVEEYAALY-BHYZAODMSA-N 490.728 7.834 5 1 JKBF COc1ccc(C(O)(c2ccc(OC)cc2)C23CC[N+](CCOCc4ccccc4)(CC2)CC3)cc1 40424106 CUFRILWCLMBUGS-UHFFFAOYSA-N 488.648 5.157 5 1 JKBF O=C1C[C@@H](c2ccc(Br)cc2)Sc2ccccc2N1Cc1ccccc1[N+](=O)[O-] 95590192 ROPUPNVYSHLJKL-NRFANRHFSA-N 469.360 6.128 5 1 JKBF COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nc3c4ccccc4nc-3c2O)cc1 100705528 YSOKVTMICFDJBU-UHFFFAOYSA-N 458.499 5.440 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc([N+](=O)[O-])c1 587136298 YHCXZIXHWFTUJN-UHFFFAOYSA-N 461.678 6.064 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3ccc4cccc5ccc2c3c45)N1 587813117 ASPRMOLRNZVQNL-QZXCRCNTSA-N 458.374 7.283 5 1 JKBF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(C)c1cc([N+](=O)[O-])ccc1Cl 961784350 MVNLUGJDUWAUGQ-XMMPIXPASA-N 457.958 5.663 5 1 JKBF O=C([C@@H]1Cc2ccccc2[C@@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1)C(F)(F)F 962728222 CZIJPUVFXXCVMM-GHTZIAJQSA-N 464.509 5.755 5 1 JKBF CCSc1ccc([N+](=O)[O-])cc1[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963818183 RZMBDGADXNUOJV-VWLOTQADSA-N 459.571 6.002 5 1 JKBF C[C@@](O)(CSc1ccc(Cl)c(Cl)c1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 34801496 YECZKKACMOWMFM-QGZVFWFLSA-N 465.280 6.402 5 1 JKBF Cc1cc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144718 OFJXVPPLOVPFFH-UHFFFAOYSA-N 470.254 5.713 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cc([N+](=O)[O-])ccc1Cl 587543687 LIILTUNJJWTAGS-XUZZJYLKSA-N 462.845 5.447 5 1 JKBF CN(c1ccccc1)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587575320 JCIYZSPQCMOPIR-RPLLCQBOSA-N 468.465 5.771 5 1 JKBF CCCc1c(-c2ccc(Cl)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587619099 ZNSMHTRYZKLFDV-UHFFFAOYSA-N 499.976 6.158 5 1 JKBF O=[N+]([O-])c1ccccc1-n1cccc1[C@@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962953519 JDKGXIKHODJMGN-QFIPXVFZSA-N 457.452 5.145 5 1 JKBF O=C(O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857573037 YRSAORSZRHRWKF-IIIFQBMYSA-N 470.633 5.098 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CCS[C@H]3c3cccs3)c2c1 1857632418 XIKFQUBWPBKVPF-VWLOTQADSA-N 498.073 6.000 5 1 JKBF COc1oc([C@@H](O)CC(C)=CC(C)=CC(C)=CC(C)=Cc2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C 2356857261 DKZYQJCEGFWXFH-VWLOTQADSA-N 479.573 6.539 5 1 JKBF Nc1c(-c2ccc(Cl)c(Cl)c2)c2ccc([N+](=O)[O-])cc2c(=O)n1-c1nc2ccccc2s1 1861471 KMLKJYGOJNWQMQ-UHFFFAOYSA-N 483.336 6.065 5 1 JKBF O=C(Oc1ccccc1)N1CC[C@@H](CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84689553 BZAJYARYSYITCR-IBGZPJMESA-N 485.993 5.833 5 1 JKBF O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)cc1)c1cc2cc(-c3cccc([N+](=O)[O-])c3)ccc2o1 103181993 VXTIPXMCAKYMJI-UHFFFAOYSA-N 464.433 6.814 5 1 JKBF CC[C@@H]1C[N+]2([O-])CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21 238741895 KJIYMOGPIPGIIK-WVCSRBDRSA-N 454.618 5.884 5 1 JKBF CC(C)Cn1c(SCc2nc3cccc([N+](=O)[O-])c3[nH]2)nnc1-c1ccc(Cl)cc1Cl 586965565 RPRJZMNSEKHLLQ-UHFFFAOYSA-N 477.377 5.985 5 1 JKBF COc1cc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261097 SYRFGIUVVJHRQL-UHFFFAOYSA-N 464.316 5.343 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2)cc1 587271975 MHBCWOAFVCLYRS-UHFFFAOYSA-N 489.123 6.455 5 1 JKBF O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1c(CO)oc2cc(Br)cnc12 587275915 HXSJIHRLDWGEQE-UHFFFAOYSA-N 467.684 5.090 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c1)CC2=O 587472513 IXOXEEZDKRCZOU-AREMUKBSSA-N 475.541 7.049 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 587571388 NRMSPRAZGYOGBQ-JYFHCDHNSA-N 489.480 6.294 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587779405 SCAORTKTYSSICH-OIRASMEMSA-N 467.338 5.349 5 1 JKBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Br)cc1[N+](=O)[O-] 587864904 TWQLMLYFUKIBEW-UHFFFAOYSA-N 456.218 5.628 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@@H]3c3ccccc3)c2c1 1857762470 JLILNKPQHAXTSV-AREMUKBSSA-N 478.017 5.548 5 1 JKBF CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 13560023 PJWBXCVXFOIRAN-UHFFFAOYSA-N 491.353 5.237 5 1 JKBF COc1ccc2cc(CCC(=O)C[C@H](Nc3cc(C)on3)c3ccc([N+](=O)[O-])cc3)ccc2c1 73296142 CWSCNIIYAUBXCP-VWLOTQADSA-N 459.502 5.798 5 1 JKBF CCN(CC)CCNc1ccc(COC(=O)c2ccc(OC)cc2)c2sc3ccccc3c(=O)c12 100977798 ISPFXCFZONVWDX-UHFFFAOYSA-N 490.625 5.534 5 1 JKBF CCOC(=O)c1cc(-c2ccc(OC)c([N+](=O)[O-])c2)c(-c2cc(OC)c(OC)c(OC)c2)s1 137944831 YAGZLZFUDZGWBG-UHFFFAOYSA-N 473.503 5.201 5 1 JKBF COc1ccc(CNc2nc(-c3ccc(OC)cc3)c(Cc3ccc([N+](=O)[O-])cc3)s2)cc1 210760480 GESVVHVHDCWMQM-UHFFFAOYSA-N 461.543 5.938 5 1 JKBF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)cc2)c1C 586947591 VAPMRVMJAUWNCP-UHFFFAOYSA-N 456.911 5.209 5 1 JKBF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 586950021 MJWYRBDFMVEACI-UHFFFAOYSA-N 463.562 6.646 5 1 JKBF O=S(=O)(Nc1ccsc1-c1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(F)cc1 587170281 NBAWKAOLQOASQJ-UHFFFAOYSA-N 473.554 6.538 5 1 JKBF O=C(N[C@@H](c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1)OCC1c2ccccc2-c2ccccc21 587225925 ZFDHWSWSLIGIBH-MHZLTWQESA-N 490.519 6.099 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)N1 587691326 ARXQCUJYEDXTBO-GIPWTMENSA-N 464.722 5.564 5 1 JKBF CC(C)=CCC/C(C)=C/c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587967869 NAFODFHEAHHYQT-GZTJUZNOSA-N 494.547 6.995 5 1 JKBF COc1cc2c3c(c4ccc(OC(=O)c5cccnc5)cc4c2cc1OC)CN1CCCC[C@@H]1C3 1772633401 XJKZGXIEGXTCMY-LJQANCHMSA-N 468.553 5.535 5 1 JKBF O=C(NCC1CCCCC1)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774536 WRNIJMJZCOFASC-UHFFFAOYSA-N 483.908 5.609 5 1 JKBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135116 AUMBQIADWCOEDG-RTBURBONSA-N 465.598 5.695 5 1 JKBF O=C(Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)Nc1ccc([N+](=O)[O-])cc1 96167982 UZEPBKQMMIAFHJ-UHFFFAOYSA-N 480.424 5.058 5 1 JKBF O=C(Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)s1)c1ccc([N+](=O)[O-])cc1 299827855 ILNFAGURYJOSOH-UHFFFAOYSA-N 463.431 5.066 5 1 JKBF COc1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C 587044510 GWLPVILKQWXIKF-UHFFFAOYSA-N 454.708 5.597 5 1 JKBF O=[N+]([O-])c1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1[N+](=O)[O-] 587071789 RMBSVZNPLSOQAK-RMKNXTFCSA-N 450.838 5.782 5 1 JKBF Cc1[nH]c2ccc(F)c(Cl)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587631363 KFEKDQXMXVRVFS-RBBKRZOGSA-N 478.863 5.727 5 1 JKBF COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1[N+](=O)[O-] 587745925 ILSWTAFCSWJJPN-ZLOXQWCVSA-N 499.336 5.574 5 1 JKBF O=C(O)[C@@H]1CCC[C@H]1C[C@@]1(c2ccccc2[N+](=O)[O-])NC2(CC2)Cc2ccc(Br)cc21 961329083 WXVACVQQYYNDCI-MBSHLRGSSA-N 485.378 5.170 5 1 JKBF Cc1c(O)ccc2c1[C@@H](c1cc([N+](=O)[O-])ccc1Sc1nc3ccccc3s1)N[C@H](C(=O)O)C2 963522659 GAKNXFKNVKWCQQ-HTAPYJJXSA-N 493.566 5.058 5 1 JKBF COc1cc2c3c(c4ccc(OC(=O)c5ccco5)cc4c2cc1OC)CN1CCCC[C@H]1C3 1772589089 YUCNZVOIVAYDSD-KRWDZBQOSA-N 457.526 5.733 5 1 JKBF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c(F)c2)c1 587138654 PFELISQWNQTDNN-UHFFFAOYSA-N 474.217 5.544 5 1 JKBF COC(=O)c1cc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c(F)c1Nc1ccccc1 587273050 ZTAYCANMCXJNRS-UHFFFAOYSA-N 498.470 6.600 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 587744289 CUGVWWSXACGIJO-PTPDTQQLSA-N 478.318 5.492 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 587843738 JBFDFWUKHSBFRP-FATZIPQQSA-N 487.394 6.412 5 1 JKBF CCOC(=O)c1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)c3ccsc3CCN2Cc2cccnc2)cc1 962999549 SGBZHFOIZMHSJJ-MUUNZHRXSA-N 499.592 5.578 5 1 JKBF COc1ccc2c(c1)[C@H](c1ccc(N(C)c3ccccc3)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)CC2 963303304 ORIANOVMCGSMSZ-PMERELPUSA-N 497.570 6.658 5 1 JKBF CC(C)c1ccc(Cn2c(=O)c(C(=O)NCCc3ccccc3)cc3c([N+](=O)[O-])cccc32)cc1 1772630266 MODSJCNANRAHCM-UHFFFAOYSA-N 469.541 5.054 5 1 JKBF COc1cc2c(cc1O)oc(=O)c1c2c(-c2ccc(O)cc2)c2c3cc(OC)c(O)cc3ccn21 40392490 HHQABYRASKFSKG-UHFFFAOYSA-N 469.449 5.153 5 1 JKBF CC(C)(C)OC(=O)N1CCC[C@H](N(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84690225 FVMRSQHKQOIEAA-SFHVURJKSA-N 466.003 5.711 5 1 JKBF Cc1ccc(/C=C/C(=O)N2N=C(c3ccc([N+](=O)[O-])cc3)O[C@H]2c2cc3ccccc3nc2Cl)cc1 103173247 BQURDDFJMIBAQX-ZOYLIWTNSA-N 498.926 6.037 5 1 JKBF O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 138619904 HFDAUVJUEUJEDV-ZROIWOOFSA-N 486.616 5.644 5 1 JKBF O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1cccc(Br)c1)c1c[nH]c2ccccc12 299829464 KSQZMQAGKUWZKS-HJWRWDBZSA-N 481.306 5.063 5 1 JKBF Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586992512 CIIHKNXAMXXHCV-UHFFFAOYSA-N 475.298 6.106 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587735516 QDNFNKAKQZTLQI-NPMABZOXSA-N 489.316 5.838 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSc2nc3ccc([N+](=O)[O-])cc3s2)N1 587856037 HTLHIJNSCUWFOJ-APBUJDDRSA-N 482.400 5.648 5 1 JKBF COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 587933330 WHJAQSWMTMLIBS-KDYSTLNUSA-N 498.023 7.021 5 1 JKBF Cc1ncc([N+](=O)[O-])n1CCn1cc(COc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)nn1 653721428 VKJWDOYZECEFCR-UHFFFAOYSA-N 496.656 5.863 5 1 JKBF 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471.326 6.221 5 1 JKBF CCC[C@@H](CC1(c2nc3c4ccccc4c4ccccc4c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781756 NDABQFNWTDYFMQ-DEOSSOPVSA-N 490.647 8.231 5 1 JKBF O=[N+]([O-])c1ccc([C@@]2(c3ccc(Cl)s3)NC3(CC3)Cc3ccc(Br)cc32)cc1 961615555 PLXWFGRPENWLIK-OAQYLSRUSA-N 475.795 6.042 5 1 JKBF COc1cc2c(cc1OC)[C@@](C)(c1cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c1)N(C)[C@H](C)C2 962641296 ZVPDAHWEQRNWAU-JYRCXFKTSA-N 489.572 5.313 5 1 JKBF Cc1ccc(SC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 27754306 KBYHRISSWBEZAH-DBIZQGMDSA-N 486.590 5.710 5 1 JKBF NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cc(-c2ccccc2Cl)on1 29548315 CBVUOWILHTWDDD-DEOSSOPVSA-N 490.947 5.002 5 1 JKBF O=[N+]([O-])c1ccc(C(=S)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 84602641 BTGCPCMBOMGMQD-UHFFFAOYSA-N 462.534 6.660 5 1 JKBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OCC(F)(F)F 587496274 AYCYDNYCGLNHMU-GOSISDBHSA-N 451.397 5.130 5 1 JKBF 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450.336 5.031 5 1 JKBF COc1cc(C[C@@H](C)[C@@H](C)Cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)ccc1O 1772627269 ADBWQVPHQHTPEI-MSOLQXFVSA-N 479.529 5.594 5 1 JKBF CCN(CC)CCOc1ccc([C@@H](c2ccc(OC)cc2)c2cc3ccccc3c3ccccc23)cc1 28709330 DMKDOSAELHYGRG-UUWRZZSWSA-N 489.659 7.902 5 1 JKBF O=[N+]([O-])c1cccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)c1 82157148 DIFMRIZVFMWUOY-BXCBQBLLSA-N 467.569 6.241 5 1 JKBF CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1 195490799 DZQLBFSYEPOYJZ-JYQZWCOUSA-N 471.557 5.909 5 1 JKBF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cc4nc5ccccc5nc4cc3[nH]1)C(=O)OC2 586916478 ZOKTUTDCNMCSHP-OVCLIPMQSA-N 494.551 5.474 5 1 JKBF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@@H]2CCCC[C@H]21 586960720 NXKQSESASIFEGN-WTOYTKOKSA-N 483.597 5.354 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Br)cnc(Cl)c2[nH]1 587053161 BULYGPBCJWOGLN-LBPRGKRZSA-N 487.141 5.063 5 1 JKBF 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587747726 PVBJREOCNURIFF-QKFKETGDSA-N 470.342 5.888 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 587749262 DEDSGYPRBHIRMS-RZFZLAGVSA-N 496.336 5.651 5 1 JKBF O=C(c1cc2ccccc2o1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 653840597 GPNJRBKIGAMHDE-JOCHJYFZSA-N 470.485 5.072 5 1 JKBF O=C(Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 13682558 XVXVKOFOZVWKAM-UHFFFAOYSA-N 484.459 6.733 5 3 JKBF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1 3948753 HNXYHZZMVJBSRC-UHFFFAOYSA-N 467.472 5.512 5 1 JKBF COc1cc([C@H]2S/C(=C/c3ccccc3)C(=O)N2c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 6003753 BYNKPXKXCGQSQH-RTOMEVGKSA-N 478.526 5.440 5 1 JKBF CCCCNC(=O)N1CC[C@@H](CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84672435 OIFUKEYXUNJNJZ-SFHVURJKSA-N 465.019 5.144 5 1 JKBF C[N+]1(C[C@H](O)CCCCCc2ccccc2)CCN(C[C@H](O)CCCCCc2ccccc2)CC1 87613290 ZZSJOOTYYFDUNQ-FIRIVFDPSA-N 481.745 5.077 5 1 JKBF Cc1cc(C)c(Oc2ccc([N+](=O)[O-])c(NC3CCN(Cc4ccc(C(=O)O)cc4)CC3)c2)c(C)c1 103230423 REKMRFPYTNDNAP-UHFFFAOYSA-N 489.572 6.087 5 1 JKBF O[C@@H](CNC1CCCCC1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169338968 KBFAGTDCIXQLFR-QFIPXVFZSA-N 455.442 6.986 5 1 JKBF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586996577 REAGHNRWUNFTGU-UHFFFAOYSA-N 455.106 5.310 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587159724 VLFDAGASALQSGO-UHFFFAOYSA-N 452.243 5.379 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)(C)C)c(-c3ccccn3)c2c1 587620891 JFCGXAHWDNWFBN-UHFFFAOYSA-N 480.546 5.245 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1 587696541 PQLIETQGCTUPHS-FVINQWEUSA-N 465.706 6.033 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)N1 587817640 MTAKGTRFTVXCGC-HYDGNGQDSA-N 484.412 7.600 5 1 JKBF O=[N+]([O-])c1cc(F)c(Br)cc1[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962950567 HFIVIZFUGMFLMK-GOSISDBHSA-N 489.263 5.256 5 1 JKBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(SCc3ccccc3)cc(Cl)cn12 1857567465 UFIGNPDJFGABPO-UHFFFAOYSA-N 473.963 5.162 5 1 JKBF CCC1=C(C)c2cc3[nH]c(cc4nc5c(c6cc(C)c(cc1n2)[nH]6)C[C@H](C)C5=C4C)c(C)c3CC 13458697 LRGZPELWVHGBRK-INIZCTEOSA-N 462.641 7.958 5 1 JKBF NS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2c3ccccc3cc3ccccc23)cc1 84671982 HRCFAVSHTQNTTR-UHFFFAOYSA-N 482.487 5.480 5 1 JKBF O=Nc1c([C@@H]2C(=O)Nc3c(Br)cc([N+](=O)[O-])cc32)[nH]c2ccc(Br)cc12 169722504 SSCMCPNEHSIBSG-GFCCVEGCSA-N 480.072 5.083 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)N2 587031703 PDGPDLYLOFWBQT-JHFYRWCBSA-N 494.396 5.361 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3c(F)cnc(Cl)c3[nH]2)ccc1Sc1nc2ccccc2s1 587037555 JVZQONLTTFHYNB-UHFFFAOYSA-N 457.899 6.087 5 1 JKBF Cc1ccc2c3c(cc([C@H](C)Oc4ccc5c(oc(=O)c6ccccc65)c4C)nc13)-c1ccccc1C2=O 587103457 XGACCLUNXQSRID-IBGZPJMESA-N 497.550 7.463 5 1 JKBF O=C(NCC1CCCCC1)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774963 FCSBHROTQVZRFR-UHFFFAOYSA-N 467.453 5.095 5 1 JKBF CC[C@@H](c1ccc(O)cc1)[C@@H](CSCCNc1ccc([N+](=O)[O-])c2nonc12)c1ccc(O)cc1 29394686 LEHCZMPJVACDMT-SFTDATJTSA-N 494.573 5.665 5 1 JKBF O=[N+]([O-])c1cc2c(OCC[C@@H]3CCCCN3)c(-c3ccc(Cl)s3)c(O)nc2cc1Cl 29411697 NOQHMKNICUECRI-NSHDSACASA-N 468.362 5.795 5 1 JKBF O=C(NCC1CCCCC1)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 82134485 BJGWIMVOQRFLMN-UHFFFAOYSA-N 479.968 5.627 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82148529 XBLUQHYAMYLUOQ-UHFFFAOYSA-N 459.550 5.377 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NCc3cccc(Cl)c3)ncc2-c2ncc(-c3ccccc3)s2)cc1 82174374 FXIOKEPITZGFDU-UHFFFAOYSA-N 499.983 7.108 5 1 JKBF Cc1ccc(-c2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c3cccc(Cl)c3n2)o1 587083303 NBTDWCQVYFQSPI-UHFFFAOYSA-N 461.912 7.096 5 1 JKBF CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587142343 VYQAAKBFDJLOBJ-LIRRHRJNSA-N 476.892 5.393 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Oc1ccc([N+](=O)[O-])cc12 587578267 VRCATTUVEOSZJE-BVAGGSTKSA-N 453.406 5.312 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N1 587698416 PZYFOJASFRPTKD-SBKAZYGRSA-N 465.706 6.033 5 1 JKBF O=c1c(-c2c(F)cccc2Cl)coc2c1c(O)cc1occ(-c3c(F)cccc3Cl)c(=O)c12 653870696 IGWGNOJEHLJJDX-UHFFFAOYSA-N 487.241 6.524 5 1 JKBF CC1(C)C[C@@H](O)c2cc(OCc3ccc([N+](=O)[O-])cc3)c(OCc3ccc([N+](=O)[O-])cc3)cc2O1 1772638535 SMXZREIVHGBWMW-OAQYLSRUSA-N 480.473 5.256 5 1 JKBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(Sc3ccccc3F)cc(Cl)cn12 1857547172 OXMDRUNHDZKVJP-UHFFFAOYSA-N 477.926 5.160 5 1 JKBF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135557 YJNAXHWWSWTTEO-QZTJIDSGSA-N 451.571 5.162 5 1 JKBF c1cnc2c(c1)c1nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c1c1cccnc12 587019069 UPOQVYGVPICQMN-UHFFFAOYSA-N 451.511 5.145 5 1 JKBF CCCCNS(=O)(=O)c1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 587271478 CLSSDHOITYRGHM-UHFFFAOYSA-N 466.519 5.009 5 1 JKBF COc1cccc(-c2cc(-c3ccc4ccc5ccccc5c4c3)nc3c2oc2ccccc23)c1 587364531 CXLGQFHFXRLMGW-UHFFFAOYSA-N 451.525 8.630 5 1 JKBF O=C(O)c1cc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c([N+](=O)[O-])c2)ccc1F 587507818 TXFTVNIQCHDKKH-DEOSSOPVSA-N 461.445 5.684 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587736520 SEIMOZMPBJVNRJ-XMHCIUCPSA-N 459.290 5.462 5 1 JKBF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587963053 LHEMPFZPDOXQHR-KGLIPLIRSA-N 482.492 5.003 5 1 JKBF Cc1c(C(=O)Nc2cccc([C@]3(C)N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c2)cccc1[N+](=O)[O-] 962769549 SEJWVSXOAILCCR-BWKNWUBXSA-N 497.473 5.065 5 1 JKBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(OC(C)=O)cc2)(c2ccc([N+](=O)[O-])cc2)N1 962947940 KMHYYJMVKTZELH-CCLHPLFOSA-N 455.514 5.218 5 1 JKBF CC1(C)C=Cc2cc(OCc3ccccc3[N+](=O)[O-])c(OCc3ccccc3[N+](=O)[O-])cc2O1 1772596829 NTWDZWWNHCHQID-UHFFFAOYSA-N 462.458 5.845 5 1 JKBF CC(C)C[C@H](NC(=O)[C@@H](COc1ccc([N+](=O)[O-])cc1)Cc1ccccc1)C(=O)Nc1ccccc1 5837653 UVQXHBQLIZCPJS-GJZUVCINSA-N 489.572 5.002 5 1 JKBF COc1cc([C@@H]2S/C(=C/c3ccccc3)C(=O)N2c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 6003756 BYNKPXKXCGQSQH-NQDYMZAQSA-N 478.526 5.440 5 1 JKBF COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)cc3)c-2c/c1=N\C(C)C 95577621 LEHFYEIEYUICMC-JJKYIXSRSA-N 469.976 6.240 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2cc(S(C)(=O)=O)ccc2c2c(Cl)c(Cl)ccc12 169331484 UCCMEMFCQHSPSE-QHCPKHFHSA-N 496.500 6.639 5 1 JKBF CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@@H]2C1 299816868 VXTVSKBDSNWWFW-FYTVBWQSSA-N 471.557 5.909 5 1 JKBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1Cl 587047279 DYDKXELKTDPXTJ-RQOWECAXSA-N 462.609 5.956 5 1 JKBF CC(C)(C)OC(=O)N[C@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1cccc(Cl)c1 587070386 GOVZZKDIOBSYQR-LJQANCHMSA-N 473.964 6.121 5 1 JKBF C[C@]1(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587510324 YPGNBSQLPRKINC-JOCHJYFZSA-N 464.301 5.432 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)N1 587745597 HYONOMPJQCEOAI-WHEQGISXSA-N 486.297 5.231 5 1 JKBF COc1cccc2cc3c(nc12)[C@@](c1ccc(Cl)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)NCC3 963061886 ZFQOMUDYFNGGDH-RUZDIDTESA-N 480.351 5.896 5 1 JKBF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 963233180 TVOJYAXEXQAVII-RDGATRHJSA-N 471.538 5.124 5 1 JKBF O=[N+]([O-])c1cccc(-c2nc(Nc3ccc(I)cc3)c3ccccc3n2)c1 1857746379 MDZAXBHLQWLEEY-UHFFFAOYSA-N 468.254 5.553 5 1 JKBF NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 13878859 SVUUPPIYFVMXLZ-VWLOTQADSA-N 488.588 5.158 5 3 JKBF Oc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccccc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1 38217601 WRPPYCQXFUXOQL-UHFFFAOYSA-N 478.555 7.695 5 1 JKBF Cc1ccc(CNc2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82135628 WUPVOYVMFDJYSO-UHFFFAOYSA-N 477.908 5.149 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(Cl)ccc12 169338960 OUUQTLAORTZREH-XMMPIXPASA-N 452.853 7.889 5 1 JKBF O=C1c2ccccc2-c2cc(-c3c(Cl)c(Cl)c([N+](=O)[O-])c4c3OCCO4)nc3cccc1c23 587104541 TWWBSZWMLRMXHT-UHFFFAOYSA-N 479.275 6.099 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(OC(F)(F)F)cccc4[nH]3)cc2)nc1C(F)(F)F 587118318 LVRFSJDYYQLXSW-UHFFFAOYSA-N 471.317 5.300 5 1 JKBF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 587154907 UWLCFXMHGUTRDM-UHFFFAOYSA-N 467.525 6.476 5 1 JKBF COc1cc2c3c(c4ccc(NS(=O)(=O)C(C)C)cc4c2cc1OC)CN1CCCC[C@H]1C3 473113835 HOSXZPASGIYTBL-SFHVURJKSA-N 468.619 5.071 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c3ccccc3c3ccccc3c2[nH]1 587054519 LMQDLXZAAGVTNZ-QFIPXVFZSA-N 472.932 6.558 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2cc1Cl 587080185 AZNIOPVUIRMVMR-UHFFFAOYSA-N 451.269 6.366 5 1 JKBF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c(F)c2)c1 587147595 VORHICCRGBEGME-UHFFFAOYSA-N 464.456 5.839 5 1 JKBF COc1cc2c3c(c1)O[C@](C)(c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C)[C@@H](C2)C3=O 587434789 ZQFZSJCYLWBCFF-OWJWWREXSA-N 454.479 5.089 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 587748612 ALOVUSMHMSQSEV-VERVWZFWSA-N 455.283 5.428 5 1 JKBF O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Br)c1cccc([N+](=O)[O-])c1 13704423 PANOCHJVINUGIP-UHFFFAOYSA-N 463.291 5.462 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 82163720 XIGJMTOEFJZALH-UHFFFAOYSA-N 487.585 6.087 5 1 JKBF COc1cccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc([N+](=O)[O-])c3)n2)c1OC 82163729 SCQPSYXBAUVKHQ-UHFFFAOYSA-N 491.573 5.464 5 1 JKBF O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc([N+](=O)[O-])c(F)cc6[nH]5)c34)c12 586882815 BAPNCKIVCXIEMA-UHFFFAOYSA-N 477.451 6.949 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)cc1 587273803 VCRWMNCXJONSKS-UHFFFAOYSA-N 494.223 6.592 5 1 JKBF Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587696404 UERYEZMYIGPTJZ-FATZIPQQSA-N 489.772 6.284 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 587751449 MKOSHQHFCRPJBE-VERVWZFWSA-N 458.331 5.556 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)N1 587752319 QZIOZIUAEKCEEC-WHEQGISXSA-N 481.325 5.435 5 1 JKBF CCN(CC)CC/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 27651955 PXWNHHAYOMOVFV-GKPLWNPISA-N 461.613 6.116 5 1 JKBF COc1ccc([C@@H](c2ccc(OCCN(C)C)cc2)c2cc3ccccc3c3ccccc23)cc1 28709326 OYNUVNXFQQDBMD-YTTGMZPUSA-N 461.605 7.122 5 1 JKBF Cc1ccc(C(=O)O[C@H](C)c2cccc3nc4c(C(=O)O)cccc4nc23)c(OCc2ccccc2)c1 29466170 URERXLFRRBZDRF-LJQANCHMSA-N 492.531 6.287 5 1 JKBF O=[N+]([O-])c1cccc(-n2nc(NCc3ccc(Cl)cc3)nc2-c2ccc(F)c(C(F)(F)F)c2)c1 45325188 DDGCDVBVVRVLFF-UHFFFAOYSA-N 491.832 6.266 5 1 JKBF CC[N+](CC)(C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(C)C)C[C@@H]3CC[C@@H]12)C[C@H]1CO1 299840608 VOGJOTZFTRGYEH-YOBFGDOTSA-N 492.765 5.441 5 1 JKBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1Cl 587047530 KAEQZLRCXIEWIO-CLFYSBASSA-N 484.737 6.636 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 587068013 WGAICLMHDLGORD-UHFFFAOYSA-N 458.699 5.713 5 1 JKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587069279 DNUUCCKQRSPVDA-PLKVUOPHSA-N 459.380 7.332 5 1 JKBF C[C@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130344 SHLBCWDNKCABEW-SCSAIBSYSA-N 470.608 5.568 5 1 JKBF COc1cc(OC)c([C@@H](c2ccccc2)c2c(O)cc(O)c3c(=O)c4ccccc4oc23)cc1OC 1772571769 CUWFWBSLQGSBCG-RUZDIDTESA-N 484.504 5.563 5 1 JKBF O=[N+]([O-])c1cn(C[C@@H](OCc2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2Cl)cn1 66078028 BCZJBVORIUDLAV-QGZVFWFLSA-N 476.238 5.955 5 1 JKBF Cc1cccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc([N+](=O)[O-])cc2)c1 100705988 UEOMILDCKBBOSC-UHFFFAOYSA-N 485.525 5.178 5 1 JKBF O=C(O)c1cc2nc3ccccc3c-2n(-c2ccc([N+](=O)[O-])cc2)c1/C=C/c1ccc([N+](=O)[O-])cc1 621477811 NQUGQHZWDKLMJH-VGOFMYFVSA-N 480.436 5.815 5 1 JKBF Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 963018460 OCDZAAUQMYOIEL-ISKFKSNPSA-N 489.915 5.279 5 1 JKBF CSc1ccc(/C=C/c2ccc3c(=NCCN4CCCC4)c4oc5ccccc5c4n(C)c3c2)cc1 1857536362 STWNWZQCLHFKDR-MTRCNWHOSA-N 493.676 6.967 5 1 JKBF COc1ccc(Sc2cc(Cl)cn3c([N+](=O)[O-])c(CS(=O)(=O)c4ccccc4)nc23)cc1 1857595342 OECYZJYVMMVKJO-UHFFFAOYSA-N 489.962 5.030 5 1 JKBF O=C(OCc1ccc2c(c1)OCO2)[C@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 26751656 WDCUHHNJZSWUFN-MUUNZHRXSA-N 491.499 5.721 5 1 JKBF CCCCN(CCCC)C(=O)c1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cn1C 40934881 OYYXRDMJCDQFME-UHFFFAOYSA-N 462.594 6.314 5 1 JKBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCC[C@H]1[C@H]3NC(=O)C(C)(C)C 73314104 RNZUPOSKXWDXOX-BKMJKUGQSA-N 462.590 5.200 5 1 JKBF COc1ccc(OC)c(-n2c(C)nc3c(-c4ccc(Cl)cc4)nc4ccc(OC)cc4c3c2=O)c1 98084439 ZWMDXBSJAJNTDO-UHFFFAOYSA-N 487.943 5.589 5 1 JKBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(N[C@H]2CC[C@@H](C(=O)O)CC2)ccc1[N+](=O)[O-] 100967370 BUPGFPGPSLWKAG-FEINNRIKSA-N 475.586 5.066 5 1 JKBF Cc1ccc(S(=O)(=O)Oc2ccc(-c3nc4ccccc4c4nc5ccccc5n34)cc2)cc1 103188566 CPRFNECFDFOUCI-UHFFFAOYSA-N 465.534 5.779 5 1 JKBF Cc1c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979443 CQVNOVVBGXVZJC-UHFFFAOYSA-N 468.151 6.247 5 1 JKBF CC[C@@H](C)n1ncc(I)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587181663 YRLFUHQRGGUVSJ-LLVKDONJSA-N 468.302 5.098 5 1 JKBF O=C(N[C@H](c1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 587221755 IAJZKSUBGRZVET-AREMUKBSSA-N 490.519 6.099 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)N1 587746367 JQXRUOYNRVBQQK-DMZKTXOQSA-N 481.325 5.435 5 1 JKBF O=C(NC1CC1)c1ccc([C@H]2CC(=O)N(Cc3ccccc3[N+](=O)[O-])c3ccccc3S2)cc1 1857654325 ZSHYVKVCDONRPD-XMMPIXPASA-N 473.554 5.257 5 1 JKBF O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(F)cc1C(F)(F)F 71317206 NMJPFRJCPALLRK-UHFFFAOYSA-N 485.440 6.912 5 1 JKBF CC1CCN(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc([N+](=O)[O-])c2)CC1 82135577 PTZCVVHKUNCHNN-UHFFFAOYSA-N 465.941 5.189 5 1 JKBF O=C(Oc1coc(CSc2ccc(Cl)cc2)cc1=O)c1ccc(Cl)c([N+](=O)[O-])c1 95578967 IAEQENPWBYQOJA-UHFFFAOYSA-N 452.271 5.366 5 1 JKBF CCCCNC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 105175052 HWMUKJKEXNPZSL-STRKUORWSA-N 451.571 5.064 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2cc(SC)ccc2c2c(Cl)c(Cl)ccc12 169328058 LFZCQKSMMPWFHU-QHCPKHFHSA-N 464.502 7.957 5 1 JKBF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586983150 WINJAXPKQKPNSE-ZDUSSCGKSA-N 481.188 6.369 5 1 JKBF CC(C)COc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1Br 587110068 RIMZQZGOLJBHIB-UHFFFAOYSA-N 472.261 5.878 5 1 JKBF C[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130341 SHLBCWDNKCABEW-BYPYZUCNSA-N 470.608 5.568 5 1 JKBF O=C1C[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587507353 CKNZCWXHOMEQMU-GDLZYMKVSA-N 497.595 5.502 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1 587695097 MZWVKZZWHLCYRJ-CFMSYZGJSA-N 465.706 6.033 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 587860321 QVEMCKRXVHZRDL-UHFFFAOYSA-N 450.278 5.055 5 1 JKBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(C)c(C(=O)c3cccc([N+](=O)[O-])c3)n3ccccc23)N1 962944380 HSAOVVJJJIXGGW-XHCCPWGMSA-N 478.552 5.882 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](c1ccc2c(c1)OCO2)CC(=O)N3 1857654064 VRTYBXDXWGMCSV-HNNXBMFYSA-N 487.508 5.230 5 1 JKBF O=C1c2ccccc2C(=O)N1CCCCCCCCCCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 58575682 IYNJVHDENRCBRC-UHFFFAOYSA-N 469.494 5.299 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SCc2ccccc2)c([N+](=O)[O-])c1 587615587 YSOSRIFDMSBUFB-SQHAQQRYSA-N 485.517 6.296 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3ccc(Cl)cc3)c2c1 587617799 KAJOSEYQZYCANV-UHFFFAOYSA-N 499.932 5.078 5 1 JKBF O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@@H]1c1ccsc1 28713114 IXSXCEAPPBVNDB-TYPHKJRUSA-N 458.381 5.282 5 1 JKBF COc1cc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1 82163742 KVURIXYRCMPANZ-UHFFFAOYSA-N 491.573 5.464 5 1 JKBF COc1cccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)c1 104096867 MNBGMWLBTQHLOC-OQRWROFFSA-N 485.496 5.961 5 1 JKBF Cn1nc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587130693 OOJJFIVEZLXILR-UHFFFAOYSA-N 493.477 5.876 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c1)CC2=O 587467002 PGSKJVALOQZWHO-QHCPKHFHSA-N 455.413 6.030 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C(C)=O)c2c1 587618741 SXULGYNRGUDFPI-UHFFFAOYSA-N 499.932 5.409 5 1 JKBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587644415 BWOCQHPJSRGDSE-GGAORHGYSA-N 460.873 5.588 5 1 JKBF CSc1ccc(/C=C/c2ccc3c(NCCN4CCCC4)c4[nH]c5ccccc5c4nc3c2)cc1 1857643631 HKLKOBAJDILTHT-CMDGGOBGSA-N 478.665 7.269 5 1 JKBF COc1cccc(C=Cc2cc(C=Cc3cccc(OC)c3O)c([N+](=O)[O-])cc2[N+](=O)[O-])c1O 2356818545 YZYNABGODDZXGG-UHFFFAOYSA-N 464.430 5.272 5 1 JKBF CC[C@H](c1ccc(O)cc1)[C@H](CSCCNc1ccc([N+](=O)[O-])c2nonc12)c1ccc(O)cc1 29394689 LEHCZMPJVACDMT-NHCUHLMSSA-N 494.573 5.665 5 1 JKBF Cc1ccc(C)c(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc([N+](=O)[O-])cc2)c1 100706014 KGYACORHBSQKEP-UHFFFAOYSA-N 499.552 5.487 5 1 JKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(Br)ccc2c2cc(Br)ccc12 169338459 ULDCKCBOSBRMMS-KKSFZXQISA-N 463.213 6.084 5 1 JKBF C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208907 FOFXBOCYBVRFDZ-QGZVFWFLSA-N 469.496 6.846 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccc([N+](=O)[O-])cc3Cl)c1)CC2=O 587461705 LWKLTWKQJUDPRT-VWLOTQADSA-N 497.931 6.200 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)N1 587735581 XWTSZACBRWKJJQ-WIUDPPPLSA-N 479.277 5.431 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc12 587749781 FUOGAZSSDGEBKX-NSHDSACASA-N 484.281 5.211 5 1 JKBF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccc([N+](=O)[O-])cc1 587753579 VREVVEVBDIURQQ-ZAMGYDSWSA-N 487.325 5.921 5 1 JKBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-] 587865739 HGUMVGOPAXEBLE-AWEZNQCLSA-N 463.412 5.292 5 1 JKBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)o1 962963348 XVYFYZMPELMPIQ-HSZRJFAPSA-N 488.462 5.623 5 1 JKBF CCOC(=O)[C@]1(c2cc3ccccc3c3ccccc23)NCCc2cc3cccc(OC)c3nc21 963032335 HVPMMSTYPSZGFI-SSEXGKCCSA-N 462.549 5.502 5 1 JKBF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 963186650 VHUPPWCTIBZFGA-UNMCSNQZSA-N 493.869 5.391 5 1 JKBF COc1ccccc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 58541934 KZRFJNGEKILSPF-XPNTWCBSSA-N 451.479 5.448 5 1 JKBF COc1ccc(-n2c(C)nc3c(-c4ccc(Cl)cc4)nc4ccccc4c3c2=O)c(OC)c1 98082267 BZWPKNFWBJVXBZ-UHFFFAOYSA-N 457.917 5.580 5 1 JKBF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2)cc1F 587147743 RGBUKKUEBSAFEF-UHFFFAOYSA-N 475.527 5.806 5 1 JKBF O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)cc1 587578253 VOXQJYYBXUFTRN-OZXSUGGESA-N 483.432 5.369 5 1 JKBF O=[N+]([O-])c1ccc(Sc2ccccc2)c([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962637677 OWIDZUYUFDQFGP-QCDSWUKFSA-N 493.632 6.582 5 1 JKBF CC(C)CCCCCCCCCCCCCCOC[C@@H](O)CO[P@@](=O)(O)OCC[N+](C)(C)C 13310871 RQCNXHQIZGDHRA-RUZDIDTESA-O 496.690 5.931 5 1 JKBF Cc1cc(C(=O)c2ccc(Cl)cc2)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1O 29239416 GRJXLLYMIPOUNB-UHFFFAOYSA-N 489.709 5.508 5 1 JKBF CC1CCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82163718 GDKXOIBUJYKXKV-UHFFFAOYSA-N 457.559 6.079 5 1 JKBF CC(C)(C)OC(=O)NCCNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12 299870097 VVMMKHDHZNZYED-JLHYYAGUSA-N 474.992 6.543 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ccc(Br)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587449826 DATRPFMMNJUWBL-SBUREZEXSA-N 498.354 6.006 5 1 JKBF O=C1C[C@@H](c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587530725 DNAFCNVCVKYMRQ-QHCPKHFHSA-N 465.958 6.985 5 1 JKBF C[C@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603777 RPELXIFTFBGJPG-QCENPCRXSA-N 456.497 7.167 5 1 JKBF COc1ccc(-c2ccc(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)cc2)cc1OC 587927594 SBVZPXODJNFKEP-UHFFFAOYSA-N 454.280 5.585 5 1 JKBF CC(C)=CCC[C@](C)(O)[C@@H]1Cc2c(c(CC=C(C)C)c(O)c3c(=O)c4cc(O)ccc4oc23)O1 1857645743 DKJQBBIHCDRRLL-DWACAAAGSA-N 464.558 5.667 5 1 JKBF COc1ccccc1CCNc1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163909 IVQYFHOORSTIMV-UHFFFAOYSA-N 483.553 5.992 5 1 JKBF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c(Cl)cc12 587078390 PICMCOHJYNHVAW-JTQLQIEISA-N 462.289 5.977 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SCc2ccco2)c([N+](=O)[O-])c1 587612354 JPYRSQFHXGDWKK-RCZVLFRGSA-N 475.478 5.889 5 1 JKBF CC[N+]1(C)CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 16958492 ATTLRCVUJOHHKI-CNFACRLZSA-N 462.224 5.857 5 1 JKBF C[C@@](O)(COC(=O)c1ccc(-c2ccccc2)cc1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 34801526 IEOYVMKWYPHESZ-XMMPIXPASA-N 484.430 5.826 5 1 JKBF CCOc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163746 UKRFMDSUQCUBDT-UHFFFAOYSA-N 459.506 5.377 5 1 JKBF CO[C@@H]1[C@H](N(C)C)C[C@@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)OC4 101211622 KNFANUJEOPLLIS-DIYXEPMQSA-N 481.552 5.123 5 1 JKBF O=[N+]([O-])c1ccc(Nc2cc(-c3ccccc3)nc(SCc3nc4ccccc4[nH]3)n2)cc1 299830666 XRPYPQVNFFVGDK-UHFFFAOYSA-N 454.515 5.964 5 1 JKBF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)cs2)cc1 587014318 PROYLNMDEOKLCH-UHFFFAOYSA-N 451.508 5.532 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)OC)c([N+](=O)[O-])c3)cc1)CC2=O 587472857 NKBPHERNSLWIMM-XMMPIXPASA-N 461.470 5.413 5 1 JKBF O=[N+]([O-])c1ccc(Cn2cc(COCc3c(-c4ccccc4)nc4sc5ccccc5n34)nn2)cc1 1857761627 LQHVLGSVIUDWSD-UHFFFAOYSA-N 496.552 5.481 5 1 JKBF CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1cccc([N+](=O)[O-])c1 40764408 IGWUMALJWBDIHI-UHFFFAOYSA-N 490.603 7.488 5 1 JKBF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82135777 IVPBWUWYUYYARS-CALCHBBNSA-N 479.968 5.118 5 1 JKBF COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OC(=O)c1ccccc1F 96937411 XDVXCJVXSJMLOB-UHFFFAOYSA-N 468.460 5.085 5 1 JKBF CCOC(=O)c1cc(Br)c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1 587271569 GJWALZYIYKIXNK-UHFFFAOYSA-N 482.290 5.870 5 1 JKBF C[C@@]1(COc2ccc3c(c2)oc(=O)c2ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587361220 YEFRMLLKEFUCIQ-FIBWVYCGSA-N 496.490 5.988 5 1 JKBF Cc1c(O[C@@H](C)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c1oc(=O)c1ccccc12 587534300 YTCHAFLRVCYVEF-YVGXBJCXSA-N 468.549 6.325 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(Cc3ccccc3)c2c1 587619652 LIFWBLAWVBTEDB-UHFFFAOYSA-N 487.484 5.414 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Br)c2[N+](=O)[O-])N1 587681438 XFMKEDOJHCSGAD-XYZCENFISA-N 458.125 5.057 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 587749260 DEDSGYPRBHIRMS-OZAJXLCCSA-N 496.336 5.651 5 1 JKBF COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)CCC=C(C)CO 2356441955 JOCULGMWCPVQGI-UHFFFAOYSA-N 494.584 5.788 5 1 JKBF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c4ccccc4c4ccccc4c3[nH]2)c1C=O 586968518 SOHKWSZZFMXGMC-UHFFFAOYSA-N 497.023 7.181 5 1 JKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587069180 CVVBRGWWSIWXAP-FUCAXGLESA-N 457.404 8.542 5 1 JKBF O=C(O)c1cc2[nH]c(-c3cc(CO)ccc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587140570 NNSOXFRWHHDBOO-UHFFFAOYSA-N 496.450 5.143 5 1 JKBF Cc1c(-c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cccc1[N+](=O)[O-] 587261130 VNTCGHWLYKSLFC-UHFFFAOYSA-N 458.371 5.857 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c1)CC2=O 587467001 PGSKJVALOQZWHO-HSZRJFAPSA-N 455.413 6.030 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)c(O)c([N+](=O)[O-])c1 587572933 AMCKRKYTQVJDDV-WNCULLNHSA-N 485.448 5.288 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(=O)O)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587745742 IKAXOCMLEHENAM-JCQPUDPBSA-N 485.309 5.021 5 1 JKBF c1ccc(COc2cccc(-c3ccc(Cc4nc5c6cccnc6c6ncccc6c5[nH]4)cc3)c2)cc1 587784164 NRTPHGBVNMORLY-UHFFFAOYSA-N 492.582 7.496 5 1 JKBF Cc1cc(C)nc(Sc2ccc([C@@H]3c4ccsc4CCN3Cc3ccco3)cc2[N+](=O)[O-])n1 962706289 LVLNOFIDAHGULZ-HSZRJFAPSA-N 478.599 5.955 5 1 JKBF CCOC(=O)Nc1ccc(Nc2nccc(-c3ccc(Oc4ccccc4[N+](=O)[O-])cc3)n2)cc1 1772613684 ILJDOWVBMKVYTO-UHFFFAOYSA-N 471.473 6.156 5 1 JKBF CCN(CC)CCC[C@H](C)N=c1cc(C=Cc2ccc([N+](=O)[O-])cc2)[nH]c2ccc(OC)cc12 1857621934 XWBADQOPXPRKBX-FQEVSTJZSA-N 462.594 5.666 5 1 JKBF CCCCc1ccc2[nH]c3ccccc3c(=Nc3cccc(-c4nc5cccc(C(N)=O)c5[nH]4)c3)c2c1 1857631705 HAJXRYCIFVVCMD-UHFFFAOYSA-N 485.591 6.538 5 1 JKBF COC(=O)[C@@H]1CCC(=O)N1Cc1cc(OC)c2c(OC)cc3cc(OCc4ccccc4)ccc3c2c1 2356598245 KAEUCZLRBGCTLN-VWLOTQADSA-N 499.563 5.253 5 1 JKBF COc1cc2c(oc(=O)c3c4occc4cc(OC)c23)c2cccc(OCc3ccccc3)c12 1633427 ZKDAMBXKCOTLBW-UHFFFAOYSA-N 452.462 6.442 5 1 JKBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82150270 MUYIKDZZDRBLJX-SFTDATJTSA-N 487.604 5.585 5 1 JKBF C/C(=C\Cc1c2c(c(O)c3c(=O)c4cc(O)ccc4oc13)C=CC(C)(C)O2)CCCC(C)(C)C 238751208 KTSKXIXKPUDOCJ-RQZCQDPDSA-N 462.586 7.247 5 1 JKBF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 586982958 SOUHOFUXKXLIKX-IBGZPJMESA-N 457.415 8.004 5 1 JKBF COc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1Cl 587036061 ZKJQNEOQUUGKIA-UHFFFAOYSA-N 468.947 6.561 5 1 JKBF O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(F)c3)nc3cccc1c23 587103671 MXBPNCIZAPCQHW-UHFFFAOYSA-N 476.463 6.740 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)cc(F)cc4[nH]3)cc2)nc1C(F)(F)F 587118384 MSYKQQHMLLDRAY-UHFFFAOYSA-N 484.207 5.303 5 1 JKBF CC[C@@H](C)n1ncc(I)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587181065 MNFUBWIHHGTZQA-LLVKDONJSA-N 468.302 5.098 5 1 JKBF CCCOc1cc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2cc1Br 587271399 BMSAWEQPFMIBTI-UHFFFAOYSA-N 468.307 6.482 5 1 JKBF CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328484 USGRWJSSTCJCTO-RCZVLFRGSA-N 499.878 5.301 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)N1 587696615 QBALAUPPFCJDIS-XMHCIUCPSA-N 475.745 5.976 5 1 JKBF COc1ccc2c(c1OC)[C@]1(c3ccccc3CC[C@@H]1c1ccc([N+](=O)[O-])c(F)c1)N(C)[C@@H](C)C2 962628271 ORYPYCPOMBTZFR-OOFIYHFUSA-N 476.548 5.601 5 1 JKBF CC(C)c1nn(C)c2c1[C@@]1(NCC2)c2ccccc2CC[C@@H]1c1cc(Cl)c([N+](=O)[O-])cc1F 962916748 FBNRMCHODMVSAP-IQGLISFBSA-N 468.960 5.364 5 1 JKBF O=C(O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)c(-c2ccccc2-c2ccccc2)c1 1857579610 IXAHUPWZJAKLEV-UHFFFAOYSA-N 452.426 5.907 5 1 JKBF CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)s1 82163541 TYEMZEHCWCUJRH-LJQHDNKASA-N 463.607 6.220 5 1 JKBF Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587507973 DXIUOWPVOBHMBZ-AREMUKBSSA-N 466.534 6.177 5 1 JKBF CCc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587575347 JKSJDVZUZMPNJO-BVAGGSTKSA-N 457.438 5.361 5 1 JKBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587578749 XJWCDLPBYSJJKW-DHLKQENFSA-N 459.410 5.272 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(C(C)(C)C)c2c1 587621229 QTULTMSGUPLDRR-UHFFFAOYSA-N 497.548 5.989 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2F)N1 587728852 TZLGKZXJSXSCJF-YTEVENLXSA-N 474.305 5.044 5 1 JKBF O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N=c3c4ccccc4[nH]c4ccccc34)cc2)cc1 653770030 VRRWDNDZGBFDKF-UHFFFAOYSA-N 470.510 5.263 5 1 JKBF O=c1c2cc3ccccc3cc2nc(SCc2ccc(Cl)cc2)n1CCc1ccccc1 1857535900 VAYZOYCQBWFNLF-UHFFFAOYSA-N 456.998 6.738 5 1 JKBF CC1=C(C=CC=CC=CC=CC=CC=CC=CC=CC2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 2356347239 LTAFGCWFKPSPGC-KYJUHHDHSA-N 486.740 8.431 5 1 JKBF COc1cc2c(cc1OCc1ccncc1)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 29126044 WEMZQAXRSYMMKL-UHFFFAOYSA-N 498.495 5.562 5 1 JKBF Cc1ccc(CCNc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82149314 MXAMULXKDBNRTD-UHFFFAOYSA-N 473.577 5.420 5 1 JKBF O=C1CCCN1[C@H]1C[C@@H](c2cc3ccccc3c3ccccc23)Nc2ccc(Br)cc21 95574073 HFFDWZVCYIXTGY-UIOOFZCWSA-N 471.398 6.976 5 1 JKBF CCOC(=O)c1cnc2ccc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3c2c1O 169307554 HZYMVJVXGPEWJS-UHFFFAOYSA-N 457.436 5.673 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2cc(Br)ccc2c2cc(C(F)(F)F)ccc12 169338543 OBAXDZCVTVJYOO-DEOSSOPVSA-N 496.411 7.710 5 1 JKBF COC(=O)c1cccc(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])c1 587508908 GILMCUZJMUOBBQ-VWLOTQADSA-N 473.481 5.759 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 587573729 XBJXMJFQHYEAKH-SQHAQQRYSA-N 487.439 5.721 5 1 JKBF COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1[N+](=O)[O-] 587743335 AMLQAHCXEAPFEI-JCQPUDPBSA-N 499.336 5.574 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 587752863 UBCUFPKVKDYGMM-MCMMXHMISA-N 457.299 5.912 5 1 JKBF COc1ccc(Nc2ncnc3c2[C@H](c2ccc([N+](=O)[O-])cc2)c2c(c(=O)oc4ccccc24)O3)cc1 1772650823 HBWUZUXPOWKPBN-OAQYLSRUSA-N 494.463 5.529 5 1 JKBF CCCC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(=O)NCCc1ccccc1F 82195610 TWPHAKVGVTWOJT-FQEVSTJZSA-N 456.543 5.187 5 1 JKBF CCOC(=O)c1nc(Nc2cc(Oc3ccccc3Cl)cc([N+](=O)[O-])c2)c2ccccc2n1 299824192 KTEUMUFXDSLIGS-UHFFFAOYSA-N 464.865 5.904 5 1 JKBF COc1cc(-c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260997 OTFPTQGGWOKLMK-UHFFFAOYSA-N 486.406 5.426 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(Br)c(Br)cc4[nH]3)c2)cc1 587273457 UTYDDVLUYAUWNY-UHFFFAOYSA-N 489.123 6.455 5 1 JKBF COc1cccc(-c2cc(CSc3nc4ccc([N+](=O)[O-])cc4s3)nc3c2oc2ccccc23)c1 587366951 RPZOARMEPMCWPZ-UHFFFAOYSA-N 499.573 7.467 5 1 JKBF O=C1C[C@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587504027 HYFZZYKVULBNBY-VWLOTQADSA-N 468.336 6.689 5 1 JKBF COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587530740 DQVCSPSPXRZLJT-XMMPIXPASA-N 491.565 6.349 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccn12 587577023 QSOKFXBZNUJNIM-CUNXSJBXSA-N 479.448 5.318 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 587578694 WUOXVMJGXVFAPA-SQHAQQRYSA-N 453.450 5.400 5 1 JKBF COc1c(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c2ccc3cc(O)ccc3c12 59586279 DXWKBJHIRZQGCU-UHFFFAOYSA-N 452.506 6.006 5 1 JKBF biogenic,in-vitro Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)cc3)c-2c/c1=N\C1CCOCC1 95573944 OXKHYUNOGHQDOI-HMZBKAONSA-N 496.014 6.310 5 1 JKBF CC1(C)CC2=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(O)c3[C@H](c3ccncc3)C2=C(O)C1 104111487 PLYDYNUQWSBCGS-LJQANCHMSA-N 489.557 5.628 5 1 JKBF O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(OCc4csc(-c5ccccc5)n4)cc3)C2)cc1 299852277 PSMDWSWRKWFISE-DEOSSOPVSA-N 457.511 6.163 5 1 JKBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587118189 OWSQUTYMIOPIBQ-UHFFFAOYSA-N 458.425 5.320 5 1 JKBF C[C@@]1(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504496 KKXFCGOLPWQFBJ-MUUNZHRXSA-N 475.516 6.158 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 587691029 BHTRGSLVIAMZMA-CFMSYZGJSA-N 465.706 6.033 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COc2ccc([N+](=O)[O-])cc2Cl)(C(C)(C)C)N1 587691474 BMQGHTJVKYHTBL-GTJPDFRWSA-N 485.781 6.004 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)N1 587698284 UUPMVXFMAZMIBR-MCMMXHMISA-N 475.745 5.976 5 1 JKBF COc1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 587743431 AQOGXPCBTNLVMD-ZAMGYDSWSA-N 487.325 5.921 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=Nc3ccc(NC(=O)Nc4ccccc4)cc3)c2c1 653776546 HVTFEKYFJDYLJP-UHFFFAOYSA-N 468.944 6.860 5 1 JKBF Cn1cccc1CN1CCc2sccc2[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)n2ccccc12 962395322 CJPAHYRSHISRDA-VWLOTQADSA-N 469.570 5.457 5 1 JKBF COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCC2CCCCC2)c([N+](=O)[O-])cc1OC 774971 DXVIQUBFIWMXFP-UHFFFAOYSA-N 483.496 5.383 5 1 JKBF Cc1cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@@H]2CCCCN2)cc([C@H](C)O)c1 29465061 JALKFUONYGFTTA-YJBOKZPZSA-N 485.968 5.442 5 1 JKBF O=C1c2ccccc2[C@@](OCc2cccc([N+](=O)[O-])c2)(c2ccccc2)N1Cc1ccccc1 35064149 AQYYZVUSEBYJAC-NDEPHWFRSA-N 450.494 5.669 5 1 JKBF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc4ccc5cccc6ccc3c4c56)C[C@H]1C=N2 49808076 YTOWEZWSSPIMHP-NRFANRHFSA-N 458.517 6.573 5 1 JKBF O=C1c2ccccc2C(=O)N1CCCCCCCCCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 58575862 CANUPSWCCPDONO-UHFFFAOYSA-N 492.494 6.409 5 1 JKBF CC(C)(C)c1ccc2c(c1)[C@](O)(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C2=O 142350275 BIKFEPYPIRNWIT-RUZDIDTESA-N 450.922 5.395 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 587751687 NVNCBOKHNPXMFF-BZQUYTCOSA-N 494.364 6.123 5 1 JKBF O=[N+]([O-])c1ccc(-c2cc(O)n(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2O)cc1 587941829 SNORNARWAMGIFK-UHFFFAOYSA-N 468.507 6.731 5 1 JKBF CC[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962648803 XAJXDTLJRGBLRU-FIPFOOKPSA-N 452.558 5.477 5 1 JKBF CCC(=O)Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1 1857549095 OSCKRJSVFBISNB-UHFFFAOYSA-N 488.469 5.968 5 1 JKBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2cccs2)cc1 13584470 FALPNWUGUXVWDF-UHFFFAOYSA-N 459.556 5.804 5 1 JKBF CCO/C(O)=C1/C(C)=Nc2nc(SCc3cccc(Cl)c3)nn2[C@H]1c1ccc([N+](=O)[O-])cc1 103944727 QANCVFXMGSBHSC-HQMFNGAOSA-N 485.953 5.634 5 1 JKBF COc1cc(/C=C/c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1Br 586976438 KRIOTDQLYICPGJ-HWKANZROSA-N 453.090 5.175 5 1 JKBF Cc1cc(N(C)Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c([N+](=O)[O-])cc1F 587136132 BTYGRDPZSAIAET-UHFFFAOYSA-N 465.323 5.352 5 1 JKBF CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c12 587168919 SFZJHXYHTXKDQI-UHFFFAOYSA-N 456.481 6.012 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(S(=O)(=O)C(F)(F)F)ccc4[nH]3)cc2)cc1 587271962 LYKKVMYNMWRQAP-UHFFFAOYSA-N 463.393 5.224 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 587541211 DVXBCDRHTJGJSW-BVAGGSTKSA-N 473.868 5.859 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1 587719100 KGMOYNYTCKTLRV-MGNBDDOMSA-N 477.252 5.387 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587733461 LNRYASIBQMWCON-ZLOXQWCVSA-N 489.316 5.838 5 1 JKBF COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc([N+](=O)[O-])cnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 587933311 XWQNLCDKSVUBMI-AFMDSPMNSA-N 464.566 5.762 5 1 JKBF COc1ccc(Nc2ncnc3c2[C@@H](c2cccc([N+](=O)[O-])c2)c2ccc4ccccc4c2O3)cc1 1772576802 TUCVRULRHZSUOE-DEOSSOPVSA-N 476.492 6.576 5 1 JKBF CCCCCCN(CCCCCC)C[C@H](O)c1cccc2c1cc(Br)c1ccccc12 169336900 NBFXHZRVQKVAEN-NDEPHWFRSA-N 484.522 8.252 5 1 JKBF CCCn1cnc2cc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc(Br)c21 587003135 FNFGUECMBMIJJK-UHFFFAOYSA-N 479.132 5.423 5 1 JKBF COC(=O)C1=C(C)NC(C)=C(c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1cccc(Cl)c1Cl 587055243 LGWPQZLHVXFFRT-SFHVURJKSA-N 473.316 5.343 5 1 JKBF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587159554 RORBTDWMAJNMPT-UHFFFAOYSA-N 474.370 5.460 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(-c3ccccc3)c2c1 587620668 XGNWHHWGDGNNBM-UHFFFAOYSA-N 473.457 5.490 5 1 JKBF CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587726055 HOHJUMZEYVKPIF-NPMABZOXSA-N 488.332 5.503 5 1 JKBF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 587860652 BKGBAFFNDRNHHR-UHFFFAOYSA-N 476.289 5.402 5 1 JKBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135131 URQKZZKOIXZCOB-ROUUACIJSA-N 493.995 5.968 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(COc3ccc4ccccc4c3Br)[nH]c12 586999893 DFFCZBADPGOTRZ-UHFFFAOYSA-N 477.112 5.728 5 1 JKBF COc1cc(/C=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(Cl)c1OCC(C)C 587046052 CRXWWNMYMCNZTG-HJWRWDBZSA-N 458.949 6.527 5 1 JKBF COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587512626 ZYALMOORZSBAJI-AREMUKBSSA-N 487.508 5.546 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587727994 DZMXHSLCYYSQST-VERVWZFWSA-N 491.357 6.410 5 1 JKBF CCC[C@@H](CC1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782707 WWRJFEOMNXFONZ-SFHVURJKSA-N 480.521 5.741 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587959123 JDVKSLGFQCQWQL-UUQHCRCUSA-N 482.068 8.979 5 1 JKBF O=[N+]([O-])c1ccccc1[C@]1(C(F)(F)F)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962648859 XCWGFFUWHGQGKD-RDPSFJRHSA-N 453.464 5.148 5 1 JKBF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)ssc2=S)cc1[N+](=O)[O-] 1772636163 VBLDWLZKVZRQJE-UHFFFAOYSA-N 451.547 5.816 5 1 JKBF C[C@@](O)(CSc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857621703 IZKTUZQSNHUDNT-MRXNPFEDSA-N 468.375 5.114 5 1 JKBF CC(C)C[C@H](NC(=O)[C@H](COc1ccc([N+](=O)[O-])cc1)Cc1ccccc1)C(=O)Nc1ccccc1 5837638 UVQXHBQLIZCPJS-NVQXNPDNSA-N 489.572 5.002 5 1 JKBF O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1 103279988 AKFPOKNYHMXDIT-ROTRRZJSSA-N 450.643 5.835 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](c1ccc([N+](=O)[O-])cc1)(c1ccc(Cl)c(Cl)c1)CC2=O 587462901 SHVXLCOGXVHQOF-DEOSSOPVSA-N 472.324 6.469 5 1 JKBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587644416 BWOCQHPJSRGDSE-GMAHTHKFSA-N 460.873 5.588 5 1 JKBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587847589 UQPBKJMLFIACJV-LFVRLGFBSA-N 487.394 6.580 5 1 JKBF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccc(SC4CCCCC4)c([N+](=O)[O-])c3)N12 962669879 QNDVQVVILOGEAC-SQHAQQRYSA-N 491.613 5.756 5 1 JKBF CC1(C)COC(CCC[C@@]2(c3cccc([N+](=O)[O-])c3)c3c(F)cccc3C[C@@H]3CCCN32)OC1 963105386 PWSGCTMLOTZUEP-KDYSTLNUSA-N 468.569 5.567 5 1 JKBF O=c1c2cc3ccccc3cc2nc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 1857555877 KPCLTFDCHZRWID-UHFFFAOYSA-N 453.523 5.799 5 1 JKBF O=C(O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)c(-c2cccc(-c3ccccc3)c2)c1 1857586573 SXIYKNPFKVTFNW-UHFFFAOYSA-N 452.426 5.907 5 1 JKBF Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)CCCO)cc2)CCO3)cc1 13808558 PCROXFFKMNLHDE-UHFFFAOYSA-O 471.621 5.425 5 1 JKBF CCCCCCNC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169338924 WGVXWSMAEFXFRC-JOCHJYFZSA-N 457.458 7.234 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2c(Cl)c(Cl)ccc2c2cc(Cl)c(Cl)cc12 169339425 JSIIQODGKZOYGS-QHCPKHFHSA-N 487.298 8.542 5 1 JKBF CCOC(=O)C1=C(C)N=C(c2ccccc2)/C(=C(/O)OCC)[C@@H]1/C=C/c1ccc([N+](=O)[O-])cc1 169715057 QZZPOVSMSAXVDE-AXVUGBIPSA-N 462.502 5.370 5 1 JKBF CCCCCCOc1ccc(Br)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586981684 LNVZBXLDBSCGCL-UHFFFAOYSA-N 497.187 6.622 5 1 JKBF Cc1cc(N(C)Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])cc1F 587137406 YQMRNDVMZFXYNY-UHFFFAOYSA-N 461.213 5.336 5 1 JKBF O=[N+]([O-])c1cccc(CCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 587269524 FLRUATRGKKWAKU-UHFFFAOYSA-N 490.463 5.076 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)C)c(-c3ccc(F)cc3)c2c1 587620919 KFJHMMMSZKVPJZ-UHFFFAOYSA-N 483.521 5.815 5 1 JKBF C[C@]1(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2S1 1772570856 MFDANUGWANIOOJ-LJQANCHMSA-N 451.426 5.300 5 1 JKBF COc1cc2c3c(c4ccc(OC(=O)C5CCCCC5)cc4c2cc1OC)CN1CCCC[C@@H]1C3 1772594291 SWGMCCWVIDJWQF-HXUWFJFHSA-N 473.613 6.407 5 1 JKBF COc1ccc(-c2c3c4cc(O)c(OC)cc4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)cc1O 1857757118 MCNGPKJSANQWHO-UHFFFAOYSA-N 499.475 5.162 5 1 JKBF CC(=O)Nc1ccccc1C=Cc1cc(C=Cc2ccccc2NC(C)=O)c([N+](=O)[O-])cc1[N+](=O)[O-] 2356868781 GDPXPLJIYGSVEG-UHFFFAOYSA-N 486.484 5.761 5 1 JKBF CC(C)Cc1ccc([C@@H](C)c2nn(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=S)o2)cc1 64446823 KYJVRQSPNUREDF-LJQANCHMSA-N 481.622 5.244 5 1 JKBF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149684 KAGAKKGGUDKPNY-ROUUACIJSA-N 451.571 5.162 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586968798 JNRLNPZLOBVUEI-UHFFFAOYSA-N 459.471 5.180 5 1 JKBF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2c1 586979705 IEHCZXDWBQRPST-UHFFFAOYSA-N 483.116 5.148 5 1 JKBF COC(=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1OC 587038972 WBBKQVWQSFBMOE-UHFFFAOYSA-N 492.538 5.694 5 1 JKBF Cc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587061435 LYWWOKRZRQTZCZ-UHFFFAOYSA-N 477.868 5.110 5 1 JKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587108957 DWWKSHZOOXXGGZ-UHFFFAOYSA-N 454.433 6.357 5 1 JKBF CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587226062 RYRLTNOFMSQMKK-SANMLTNESA-N 498.583 6.877 5 1 JKBF COc1cccc(-c2cc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 587363904 WOANMWKQVRKCMB-UHFFFAOYSA-N 481.508 6.068 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1SC1CCCCC1 587611194 FTIFDCULUZVUHL-BVAGGSTKSA-N 477.538 6.428 5 1 JKBF C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc6c(c5)OCO6)cc4c32)ccc1C 1772650769 DZYSOYHWQURSDO-UHFFFAOYSA-N 475.504 5.368 5 1 JKBF Cc1cccc(CCC[N+]23CCC(CC2)[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C3)c1 1857563731 GIXUITONJFXENE-FYLLWHEGSA-N 470.633 5.016 5 1 JKBF COc1ccc2c(c1OC)c(-c1ccc(C)cc1)[n+]1c3c2ccc2c4c(cc(c23)CC1)OCO4 1857575315 XOBZOBIKPMPUEN-UHFFFAOYSA-N 450.514 5.711 5 1 JKBF O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cccs1)c1ccccc1 3976425 JEEPGBSHIOBHQN-GDWJQBMWSA-N 463.623 5.579 5 1 JKBF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)ccc12 586919206 XAUKAMWDDKZDLT-UHFFFAOYSA-N 472.295 5.262 5 1 JKBF Cn1c(=O)c2sc3c4sc5c(=O)n(C)c6ccccc6c5c4sc3c2c2ccccc21 1651651 CKFGCDGCXMYTKW-UHFFFAOYSA-N 458.589 6.188 5 1 JKBF CC(C)c1ccc2nc3ccc(C(=O)NCCN(c4ccccc4)c4ccccc4)cn3c(=O)c2c1 29401019 LYYRRURNIAVERP-UHFFFAOYSA-N 476.580 5.539 5 1 JKBF COc1cc2c(=O)c3c(O)c(CCC=C(C)C)c(O)c(CCC=C(C)C)c3oc2c(O)c1OC 95485974 XXSUKSFTNUMUHI-UHFFFAOYSA-N 468.546 5.878 5 1 JKBF biogenic,in-vitro O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)cc1 587274324 ZUDYOHZZPVFQPQ-UHFFFAOYSA-N 490.111 5.850 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](C)(Cc1c([N+](=O)[O-])ccc(OCc3ccccc3)c1F)CC2=O 587465655 GVXRHQXJVUEDJB-MHZLTWQESA-N 479.504 5.938 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1)CC2=O 587494339 WCNDSXQKYSDQPN-QHCPKHFHSA-N 483.973 6.905 5 1 JKBF O=[N+]([O-])c1cc(Cl)ccc1-c1ccc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)o1 962717733 QQSSKWTZLARJAA-CMJOXMDJSA-N 458.942 6.100 5 1 JKBF COc1cccc(Sc2cc(Cl)cn3c([N+](=O)[O-])c(CS(=O)(=O)c4ccccc4)nc23)c1 1857614866 KVSAOBACPSTGBY-UHFFFAOYSA-N 489.962 5.030 5 1 JKBF COc1ccc2cc(-c3nc4ncc(Br)cc4[nH]3)c3cc(OC)c(OC)cc3c2c1 1857647656 QIBMWRAGSBKCQJ-UHFFFAOYSA-N 464.319 5.720 5 1 JKBF O=C(CCC1CCCCC1)N[C@@H](CCc1ccccc1)C(=O)c1nc2cc([N+](=O)[O-])ccc2o1 82064543 GMANUFSBXDLQER-NRFANRHFSA-N 463.534 5.397 5 1 JKBF Cc1oc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174358 NINWWDLGESJCGO-UHFFFAOYSA-N 497.942 6.948 5 1 JKBF CCCCC[C@H](O)CCCCCCCCCCCOC[C@H](COCCCCC[N+](C)(C)C)OC 100724661 QCYYCPIMXDTFLM-URLMMPGGSA-N 488.818 6.753 5 1 JKBF CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]12 299847566 GZUGYMKFGRQTQQ-ZRBLBEILSA-N 488.598 5.572 5 1 JKBF c1ccc(Cn2c(SCc3nc4c5ccccc5c5ccccc5c4[nH]3)nnc2C2CC2)cc1 586966898 VAZKMQHKOBVXBE-UHFFFAOYSA-N 461.594 6.679 5 1 JKBF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587018536 GMMXSKADHKGGJB-UHFFFAOYSA-N 490.419 7.416 5 1 JKBF COc1cc(OCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] 587262487 AQOAQGBAXUBSLF-UHFFFAOYSA-N 484.306 5.400 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c([N+](=O)[O-])c2)([C@H](C)CC(=O)O)N1 587698691 ZTWRVNXCLFKTNN-SUTOTMHJSA-N 485.737 5.038 5 1 JKBF O=[N+]([O-])c1ccc(-c2cc(O)n(-c3ccc(Br)cc3OCc3ccccc3)c2O)cc1 587942067 ZBYUUCLLPHZYGU-UHFFFAOYSA-N 481.302 5.805 5 1 JKBF Cc1c(F)ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(c3ccc(F)cc3)CC2)c1Cl 1772636299 TWDNCVYJWJBLGG-UHFFFAOYSA-N 486.906 5.414 5 1 JKBF COc1cc2cc(C(=O)C[C@H](OC)C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC 13818012 LLFXWTJSKXUPAW-CBTZJSNWSA-N 468.639 5.563 5 1 JKBF CCCN(CCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169337808 OLXULQQRJPFDQD-JOCHJYFZSA-N 457.458 7.186 5 1 JKBF O=S(=O)(Cc1nc2c3ccccc3c3ccccc3c2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950608 HOVIRUYSPMYWSE-UHFFFAOYSA-N 470.598 5.802 5 1 JKBF CCOc1cc2oc(=O)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2cc1Br 586999787 IBYXBUDWPZEMSC-UHFFFAOYSA-N 487.313 5.594 5 1 JKBF FC(F)(F)c1ccc(Oc2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2)cc1 587112266 LDFGYIGDNCLXCG-UHFFFAOYSA-N 456.427 7.137 5 1 JKBF Nc1c([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)oc2cc([N+](=O)[O-])ccc12 587500642 MSPRBZLWZIUWBB-HHHXNRCGSA-N 488.927 6.364 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cc([N+](=O)[O-])ccc1Cl 587543686 LIILTUNJJWTAGS-URXFXBBRSA-N 462.845 5.447 5 1 JKBF Cc1cc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)ccc1[N+](=O)[O-] 587574726 GYTMIBDHAPRSBR-JYFHCDHNSA-N 473.437 5.484 5 1 JKBF CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587576537 OXXAKPAIJJRQDM-UVJUKZLASA-N 479.485 5.437 5 1 JKBF Cc1ccc2oc3nc(C)c([C@]4(C)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc3c(=O)c2c1 587585312 DDDNVXBKBYWEJO-OUTSHDOLSA-N 479.488 5.541 5 1 JKBF COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 587933184 VITBLFSQPMZSQA-KDYSTLNUSA-N 481.568 6.506 5 1 JKBF C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857560129 XOFUBFKYDOPJSX-RARBEPMASA-N 480.649 5.582 5 1 JKBF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82134784 YUCGSYJCTRSECJ-IEYFWXMHSA-N 491.636 5.335 5 1 JKBF O=[N+]([O-])c1cccc(-c2nc(NCC3CC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 82163561 SSFVLWDQRVHQHD-UHFFFAOYSA-N 498.395 6.971 5 1 JKBF O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 96272161 MMRBDGSWRBYYKO-LBPRGKRZSA-N 489.372 5.123 5 1 JKBF O=[N+]([O-])c1cccc(-c2ccc([C@H](O)c3cc4cc(-c5cccc([N+](=O)[O-])c5)ccc4o3)cc2)c1 103190764 ZVBBXKIXLYIHIW-MHZLTWQESA-N 466.449 6.665 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2cc(S(C)(=O)=O)ccc2c2cc(Cl)c(Cl)cc12 169338937 DLHYNYBQMXXJFY-VWLOTQADSA-N 496.500 6.639 5 1 JKBF O=c1c(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 587111122 OOQYHPVPIWGCIB-UHFFFAOYSA-N 482.340 5.386 5 1 JKBF CC(C)COc1cc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2cc1Br 587271556 FOOYTKMPYNHCCN-UHFFFAOYSA-N 482.334 6.728 5 1 JKBF COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c([N+](=O)[O-])c1 587574361 FTPYXUWIIYESFT-RDGATRHJSA-N 459.410 5.272 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])N1 587747602 OZPDVJJLNYSIBH-DMZKTXOQSA-N 457.299 5.912 5 1 JKBF COc1cccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1O 587786095 HISHRMFPXPETAS-UHFFFAOYSA-N 494.459 5.226 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(ccc4ccccc43)oc2=O)N1 587839588 FWWZGJXOIDDGMD-RKNYENMMSA-N 452.323 5.646 5 1 JKBF COc1cc2cc(C(=O)CCC3CC[N+](C)(CCOc4ccccc4)CC3)sc2cc1OC 13818060 WYRBPGIEANOZBO-UHFFFAOYSA-N 468.639 5.817 5 1 JKBF CSCC(C)(C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586969745 XGHBUXFBDCXTAL-UHFFFAOYSA-N 474.538 5.486 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)ccc1Sc1nc2ccccc2s1 587039452 XVLJGRUZZFACKL-UHFFFAOYSA-N 474.354 6.601 5 1 JKBF Nc1c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2cc([N+](=O)[O-])ccc12 587574342 FKCFAYSHZLLFTJ-QDPGVEIFSA-N 494.459 5.534 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 587746703 KHAUZFIGLKOKNR-OYLFLEFRSA-N 485.353 5.873 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 587751126 KTZFIGSDXIDHIC-SSOJOUAXSA-N 483.381 6.297 5 1 JKBF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)c1ccccn1 963243423 SHYNHRXVKJNXOX-PBBNMVCDSA-N 496.636 6.485 5 1 JKBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1OC 4295298 JOUDVMWUERUDBX-XZOQPEGZSA-N 473.957 5.587 5 1 JKBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccsc2)cc1 13584472 XLNPCLXWDNGPNS-UHFFFAOYSA-N 459.556 5.804 5 1 JKBF COc1ccc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@@H]2CCCCN2)cc1C 29416967 CKBXYKNVOLYXGU-INIZCTEOSA-N 471.941 5.397 5 1 JKBF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149423 RGRYJQKMAFHSDM-IAGOWNOFSA-N 479.968 5.435 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)ccc2c2c(Cl)cc(Cl)cc12 169337820 NHTSTPSJDSTSSP-QHCPKHFHSA-N 452.853 7.889 5 1 JKBF O=[N+]([O-])c1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)ccc1Cl 587049197 IMIZIBATTSNDOV-POHAHGRESA-N 489.340 5.749 5 1 JKBF COc1cc2c3c(c1)O[C@@](C)(Cc1c([N+](=O)[O-])ccc(OCc4ccccc4)c1F)[C@@H](C2)C3=O 587427309 SHSJUXIGPBJMNS-SIBVEZHUSA-N 463.461 5.070 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 587753310 UZMWNDPGWDNGCM-SGANQWHYSA-N 494.364 6.123 5 1 JKBF CCOC(=O)c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccc(OCCCN3CCCCC3)cc12 653730499 LTVIRQJKDFKYRD-UHFFFAOYSA-N 479.577 5.338 5 1 JKBF O=C1c2ccccc2[C@](O[C@@H]2CC[C@@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 140605020 RTMYOLAVEDNGOT-XLGIIRLISA-N 478.932 5.035 5 1 JKBF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc4ccc5cccc6ccc1c4c56)[C@@H](C2)C3=O 587447237 OERQBUUJGJEDIA-JHOBJCJYSA-N 462.501 6.100 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2Cl)N1 587696620 LOXAQQYQVSIIDK-YTEVENLXSA-N 490.760 5.558 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587734355 QXGRBAKCTMZBEM-YTEVENLXSA-N 491.357 6.410 5 1 JKBF O=c1cc(-c2ccccc2)oc2cc(Oc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3C(F)(F)F)cc(O)c12 103291533 FCLGCLVNVTWFFO-UHFFFAOYSA-N 488.330 5.793 5 1 JKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Br)c(Br)cc2[nH]1 587110274 YGPBGNNUMBNWJS-UHFFFAOYSA-N 479.050 5.606 5 1 JKBF N[C@H](Cc1ccc(I)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587184863 GOILXWTWIPDHDB-HXUWFJFHSA-N 463.322 5.716 5 1 JKBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587268127 LOTQXMUROQYEGD-UHFFFAOYSA-N 490.417 5.250 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(C(=O)OC)cc3)c([N+](=O)[O-])c1)CC2=O 587468606 CKCWSEHMEDFSEY-XMMPIXPASA-N 477.469 5.538 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587785198 YMAUXMSBPDICQP-MDWZMJQESA-N 450.292 5.983 5 1 JKBF O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@@H]1c1ccccc1 28713113 YWAGRNVARKNVCM-WWNPGLIZSA-N 452.352 5.220 5 1 JKBF O=[N+]([O-])c1cc2c(OCC[C@H]3CCCCN3)c(-c3ccc(Cl)s3)c(O)nc2cc1Cl 29411699 NOQHMKNICUECRI-LLVKDONJSA-N 468.362 5.795 5 1 JKBF CCCCCc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174452 MKINYSJXQWVIIN-LJQANCHMSA-N 451.527 5.339 5 1 JKBF COc1ccccc1CCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174873 LTIIVFCNHMPHKK-UHFFFAOYSA-N 461.547 5.455 5 1 JKBF CS(=O)(=O)c1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586927717 VSHCAFSLHLKKHJ-UHFFFAOYSA-N 459.936 5.346 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 587546391 QMOREUGLOFXDEC-XUZZJYLKSA-N 463.829 5.917 5 1 JKBF CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587726877 LXBNVFPPMXRXOA-NPMABZOXSA-N 488.332 5.503 5 1 JKBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2cccc(Br)c2)c1O 587942824 BJJVLPIIZYFVNO-UHFFFAOYSA-N 486.091 5.436 5 1 JKBF CCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(COCCCn3cnc([N+](=O)[O-])c3)n12 1857634075 YVTPBJFFBLHKSE-UHFFFAOYSA-N 477.546 5.326 5 1 JKBF COc1cc2c(OCCCN3CCCC3)nc3c4cc5c(cc4ccc3c2cc1OC)OCO5 1857747243 GYSRZMKFYBAVTH-UHFFFAOYSA-N 460.530 5.152 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CCS[C@H]3c3ccncc3)c2c1 1857752681 QOLHYJVJLJVEQB-SANMLTNESA-N 493.032 5.333 5 1 JKBF CN(CCCCCCCCCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1ccccc1 28641281 YOTLTNQICYMZSI-UHFFFAOYSA-N 471.641 7.578 5 1 JKBF in-vivo COC(=O)c1cc2cc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c3ccccc3c2oc1=O 64539292 AGJLBTQZHQEXFZ-UHFFFAOYSA-N 498.538 6.876 5 1 JKBF O=[N+]([O-])c1ccc(NC(=S)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 71319369 WSFUVIFDBHPMMA-UHFFFAOYSA-N 457.471 5.867 5 1 JKBF O=C(Nc1ccc(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1O 169323616 GBFPXWNCYBYKCD-UHFFFAOYSA-N 468.513 5.033 5 1 JKBF C[N@+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](n1cc(Cn3c4ccccc4c4ccccc43)nn1)C2 584904949 DLTSAPZJTNDMKP-GCMUXKEYSA-N 476.648 5.990 5 1 JKBF in-vitro Cc1cc(Br)c2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 587053939 HQULQMGWDVFLHJ-INIZCTEOSA-N 465.735 5.323 5 1 JKBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc([N+](=O)[O-])cc4Br)o1)[C@@H](C2)C3=O 587412961 KWYLIDPJGYVNTA-QKKBWIMNSA-N 456.248 5.115 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1 587567375 HIHHECJNCSTOSS-BVAGGSTKSA-N 491.402 6.074 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CC3)c(-c3ccccc3F)c2c1 587619255 FESHNEDXNIWVAD-UHFFFAOYSA-N 481.505 5.569 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)N1 587856375 MIYRDOAUHYQRRL-JEOXALJRSA-N 487.354 5.496 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C)c([N+](=O)[O-])c1 587859260 DGRZGXAXLKWOTK-UHFFFAOYSA-N 450.278 5.191 5 1 JKBF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 82134907 SQJPWXBZDROZOC-UZUQRXQVSA-N 493.995 5.668 5 1 JKBF Cc1cc2nc(-c3ccc(NS(=O)(=O)c4c(C)c(C)c(C)c(C)c4C)cc3)[nH]c2cc1[N+](=O)[O-] 586950912 MDKZQEPJQHKLRF-UHFFFAOYSA-N 478.574 5.789 5 1 JKBF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587238039 AHRAZZJGHZUVOI-FDYZDRKWSA-N 473.577 5.214 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c2ccccc2c(Cl)c2ccccc12 587551662 IDSSEKNNPPXWRR-RBJSKKJNSA-N 452.893 7.055 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2[N+](=O)[O-])(c2ccccc2)N1 587749854 ZTICPACDCGLWIB-IHVLDONJSA-N 467.338 5.988 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)N1 587754331 YCVRHCSVNRQNFH-GTJPDFRWSA-N 461.287 5.292 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc([C@@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)cc2)c([N+](=O)[O-])c1 962703702 NNIQCOXPHWEAOO-IQGLISFBSA-N 495.532 5.887 5 1 JKBF CC(=O)c1c(/C=C/c2ccc(OC(F)(F)F)cc2)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1 1857575889 UWIRMDUWCBDNRX-UKTHLTGXSA-N 478.426 7.082 5 1 JKBF CSc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 31458361 WYINKYXDUMTESU-UHFFFAOYSA-N 476.742 6.055 5 1 JKBF O=c1c2ccccc2n(CCCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc12 40848297 IGIPNSFQYHDERB-JLHYYAGUSA-N 451.614 5.266 5 1 JKBF COc1cc([C@H](CC(=O)c2cccc(C)c2)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 49802618 MTVUDQFRNPOFDL-NRFANRHFSA-N 450.491 5.355 5 1 JKBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149683 KAGAKKGGUDKPNY-HDICACEKSA-N 451.571 5.162 5 1 JKBF CCN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174940 BWWAKWHDMLYNQY-UHFFFAOYSA-N 486.384 6.605 5 1 JKBF CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc([N+](=O)[O-])cc6[nH]5)cc4)nc(O)c23)C1 587040194 XPDIIAOJXALLFS-LBPRGKRZSA-N 472.530 5.425 5 1 JKBF O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Oc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 587341088 IPRFFPFMOWZJGU-AHKZPQOWSA-N 469.424 5.848 5 1 JKBF COc1cc2c(oc3oc4c(CC=C(C)C)c(O)cc(O)c4c(=O)c32)c(CC=C(C)C)c1O 14679158 GQRNMTDWOFXCTJ-UHFFFAOYSA-N 450.487 5.835 5 1 JKBF biogenic O=[N+]([O-])c1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)cc1 103948629 XYELMFLGFWNWHJ-IBGZPJMESA-N 494.960 6.250 5 1 JKBF O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1 299829703 RMVSYBKSIWTOER-HSZRJFAPSA-N 494.960 6.586 5 1 JKBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587049107 OUIBRZABNSTDJC-SREVYHEPSA-N 462.293 5.168 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096980 MZWVMVQSHVCGDU-UHFFFAOYSA-N 454.485 6.385 5 1 JKBF Cc1c(C(=O)Nc2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cccc1[N+](=O)[O-] 587512545 YNWSDYBLHSYMQB-MUUNZHRXSA-N 470.525 5.915 5 1 JKBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1 587573306 BCGGRFOMHFPRHA-LBNVMWSVSA-N 499.475 5.591 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@@H](c1cccs1)C1=C(COC1=O)N3 1772642896 OIFXWMWKCRPOQL-RUZDIDTESA-N 489.549 5.457 5 1 JKBF COC(=O)Cc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccc(CC(=O)OC)s2)s1 28524757 OUBSJIFAQGCKFI-UHFFFAOYSA-N 488.590 5.671 5 1 JKBF CC(C)C(=O)c1c(Nc2cc(Cl)ccc2Cl)nc2c(Cl)ccc([N+](=O)[O-])c2c1O 84604067 VYWQZVSXRGWLSQ-UHFFFAOYSA-N 454.697 6.391 5 1 JKBF O=[N+]([O-])c1ccc(Sc2ccccc2)c([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962637676 OWIDZUYUFDQFGP-FYBSXPHGSA-N 493.632 6.582 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c(oc5ccccc54)c(NCCc4cccs4)c3c2)cc1 1857639016 AOTSEVPJFBZMQO-CMDGGOBGSA-N 492.669 8.743 5 1 JKBF COc1cc2cc(C(=O)C[C@@H](OC)C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC 13818015 LLFXWTJSKXUPAW-BPNDJBKRSA-N 468.639 5.563 5 1 JKBF O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(F)c(Cl)c1 71319200 IQGMJYILEXBILT-UHFFFAOYSA-N 451.888 6.547 5 1 JKBF CN(C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1 82148649 LHHIOTADAOYRPL-UHFFFAOYSA-N 479.968 5.722 5 1 JKBF C[N@@+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@H]1c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1 255983467 KMLZVZXTJRRFSZ-NGQVCNFZSA-N 482.282 7.118 5 1 JKBF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)c1C 586947067 JXELZFPFAMVLII-UHFFFAOYSA-N 477.589 6.954 5 1 JKBF Nc1c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)sc2cc(Br)ccc12 587029387 NNMLMPIKEQLWBY-UHFFFAOYSA-N 468.130 5.460 5 1 JKBF Cc1ccc2c(ccc3[nH]c(-c4ccc(Cn5cc([N+](=O)[O-])c(C(F)(F)F)n5)cc4)nc32)n1 587118370 MSBUGHNVCNBTFI-UHFFFAOYSA-N 452.396 5.258 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](c1ccc(SC)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)CC2=O 587491201 KJQFRQHODHOLRC-SANMLTNESA-N 493.537 5.582 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 587541213 DVXBCDRHTJGJSW-OZXSUGGESA-N 473.868 5.859 5 1 JKBF COc1ccc2c(c1OC)[C@@H](c1ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c1)N(C)[C@@H](C)C2 962643678 XRYNNEWRMVACBZ-IZHWHUGBSA-N 468.550 5.868 5 1 JKBF O=[N+]([O-])c1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2c1 586965797 RBVXMQLRNBIEJL-UHFFFAOYSA-N 466.910 5.317 5 1 JKBF CCCC[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199631 MDTCAHDZFOWMIL-QHCPKHFHSA-N 485.544 5.978 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(C(=O)O)c3)cc2[N+](=O)[O-])N1 587749539 ZCBQWQIDFBWMAF-YTEVENLXSA-N 485.309 5.485 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 587860139 MMSQJCBEICSTNC-UHFFFAOYSA-N 486.315 5.097 5 1 JKBF O=S(=O)(Nc1ccc(N=c2c3ccccc3[nH]c3ccc(Cl)cc23)cc1)c1ccc(Cl)cc1 653768390 YJGYHHRJSQPSRR-UHFFFAOYSA-N 494.403 6.661 5 1 JKBF C[C@@]1(COCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2S1 1772604820 GHXMDSXCRADJIW-FQEVSTJZSA-N 465.453 5.438 5 1 JKBF O=C(NCc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2483061 RCZXKGVEZLUMSF-UHFFFAOYSA-N 451.841 5.639 5 1 JKBF CO[C@H]1Cc2cc(-c3ccc([N+](=O)[O-])cc3)sc2C2(CCN(Cc3ccccc3)CC2)O1 95554905 XHDOQVPXSMNFMM-HSZRJFAPSA-N 450.560 5.360 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(C)cc2C)nc2c1cc(Cl)c1ccccc12 169330680 PWNTWTCBIUWJGC-SSEXGKCCSA-N 489.103 8.261 5 1 JKBF CCOC(=O)c1nc(Nc2cc(Oc3ccc4ccccc4c3)cc([N+](=O)[O-])c2)c2ccccc2n1 299819952 CGTDVCMFWQUGDW-UHFFFAOYSA-N 480.480 6.404 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 587542934 KCSAAZVZCHVJTL-URXFXBBRSA-N 463.829 5.917 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 587576226 NKGVUILASBSGRE-PZGSVQSZSA-N 476.441 5.267 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 587736817 XBZUQAULXRTCLT-VERVWZFWSA-N 491.357 6.410 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 587751975 PEKFRKZILXWSIC-BSEYFRJRSA-N 480.337 6.064 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587959598 MGRVYARJVNKYCY-WWMAXSSBSA-N 465.613 8.465 5 1 JKBF COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H](C)C(C)C)c([N+](=O)[O-])cc1OC 774818 HWTABAOWPPELNY-CYBMUJFWSA-N 473.913 5.362 5 1 JKBF O=C(Nc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)Nc1ccccc1[N+](=O)[O-] 96167981 XIXCZKJQEZNXDO-UHFFFAOYSA-N 480.424 5.058 5 1 JKBF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc5nc6ccccc6nc5cc4[nH]3)nc2n1 587114876 KTCKKOHUIZBUKW-UHFFFAOYSA-N 493.518 6.125 5 1 JKBF O=C1C[C@H](c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587530718 DNAFCNVCVKYMRQ-HSZRJFAPSA-N 465.958 6.985 5 1 JKBF O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587532424 MUPUGOVEEJVMLT-QHCPKHFHSA-N 465.958 6.985 5 1 JKBF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 105175392 SUAWJGUVRZTZPA-IIIFJCIWSA-N 491.636 5.335 5 1 JKBF O=C(Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)s1)c1cccc(Cl)c1 299829902 MUAUKMYYMZVYRG-UHFFFAOYSA-N 497.876 5.720 5 1 JKBF CC(C)CCOc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1Br 587091509 FQRLMXFKJHCMAW-UHFFFAOYSA-N 476.253 5.084 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)nc1C(F)(F)F 587118460 NFLNKUYAXUKHDC-UHFFFAOYSA-N 489.417 5.498 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cc([N+](=O)[O-])ccc1Cl 587543688 LIILTUNJJWTAGS-ZJSXRUAMSA-N 462.845 5.447 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccn12 587577025 QSOKFXBZNUJNIM-WXVAWEFUSA-N 479.448 5.318 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc([N+](=O)[O-])cc1Br 587853666 AUECJDUMBVCWDI-UHFFFAOYSA-N 458.099 5.311 5 1 JKBF NCCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3ccc4ccccc4c3c2)cc1 72119898 WEWVTLSRFVLUMO-UHFFFAOYSA-N 474.486 6.152 5 1 JKBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148379 RYMJPLLMAJRVNH-MSOLQXFVSA-N 451.571 5.447 5 1 JKBF Cc1ccc(CCNc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82148588 IFYLHWSCCNSJJP-UHFFFAOYSA-N 473.577 5.325 5 1 JKBF O[C@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)c(Cl)cc2c2cc(Br)ccc12 169337813 KXPAPJNOOXDWMT-LHSJRXKWSA-N 453.207 6.628 5 1 JKBF Cc1ccc([C@@]2(c3ccc(Cl)c([N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587546474 QZDRRUJEFFVUGH-SQHAQQRYSA-N 487.895 6.168 5 1 JKBF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(Oc3ccc([N+](=O)[O-])cc3)c2c1 587639383 UIYXQPBOABGPFF-HNNXBMFYSA-N 465.347 7.811 5 1 JKBF CC(C)(C)OC(=O)NC1(c2ccc(-c3[nH]c4cccc([N+](=O)[O-])c4c3-c3ccccc3)cc2)CCC1 587646486 BTABIOMUOIAONF-UHFFFAOYSA-N 483.568 7.314 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)N1 587705575 YQYGPWHHJKQALG-YTEVENLXSA-N 491.744 6.566 5 1 JKBF COc1cccc(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 587931022 LPHBJPLZVVFEAM-UHFFFAOYSA-N 492.487 5.444 5 1 JKBF CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 13726507 ZXWMHVSJDRFKHN-UHFFFAOYSA-N 485.566 5.115 5 1 JKBF CC(C)C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36189672 ZFXRZGCZDCRDBC-DXZAWIECSA-N 495.664 5.816 5 1 JKBF CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 82195849 AWRDIIHWIRYKCS-QAPCUYQASA-N 499.102 6.238 5 1 JKBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCCCCC[N+](C)(C)C)[C@@H]1c1ccccc1C(F)(F)F 169714275 QBNKIZCQSBLZBC-JTHBVZDNSA-N 497.578 5.137 5 1 JKBF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4Cc5cc6cc7ccccc7cc6nc5[C@@]4(C)CC[C@@H]32)C1 204885501 WNMCAUHCZMOKCP-CWUMXPITSA-N 465.637 7.296 5 1 JKBF Cc1ccc2c3c(cc(-c4ccc(OCc5ccc(F)cc5)c([N+](=O)[O-])c4)nc13)-c1ccccc1C2=O 586996908 VMBHTINSYYKSKX-UHFFFAOYSA-N 490.490 7.048 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)c(Br)cnc2[nH]1 587055401 QDSOYGHCDNFENQ-CYBMUJFWSA-N 487.141 5.063 5 1 JKBF CCCCN(Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587192726 ABZYOWVYNRAYRW-UHFFFAOYSA-N 471.517 5.417 5 1 JKBF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)[C@H]1c1ccc(F)cc1 587342423 NJMPKFFDHYPBQD-LBNVMWSVSA-N 495.466 5.390 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1 587567377 HIHHECJNCSTOSS-OZXSUGGESA-N 491.402 6.074 5 1 JKBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587610614 DADHTHGUZYHQRW-RPLLCQBOSA-N 485.517 6.463 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1SC1CCCCC1 587611197 FTIFDCULUZVUHL-OZXSUGGESA-N 477.538 6.428 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)cc2[N+](=O)[O-])N1 587745270 HDWUBVKZEXDEPE-AMXDTQDGSA-N 485.309 5.485 5 1 JKBF COc1ccc2c(c1)CC[C@H](c1ccc([N+](=O)[O-])cc1)[C@@]21c2cc(OC)ccc2CCN1C(C)C 962092806 NLFNFKSMNJDNNH-UHSQPCAPSA-N 472.585 5.852 5 1 JKBF CCOc1ccc([C@H]2[C@H]3CNc4c(cccc4[N+](=O)[O-])C3=NN2c2ccccc2)c(OCC)c1 1772582534 SEMGGODFDIDCGU-LVXARBLLSA-N 458.518 5.400 5 1 JKBF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O[C@H](C)c1ccc([N+](=O)[O-])s1 1772632830 LQAPWCTYUMGHLK-CYBMUJFWSA-N 473.503 5.062 5 1 JKBF COc1ccc(Nc2ncnc3c2[C@H](c2cccc([N+](=O)[O-])c2)c2c(ccc4ccccc24)O3)cc1 1772657737 DYZWPHKIZCOBQT-XMMPIXPASA-N 476.492 6.576 5 1 JKBF O=C1c2ccc(F)cc2[C@@](OCC2(CO)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 72125992 WZZZXECBBBUJLA-SANMLTNESA-N 496.922 5.034 5 1 JKBF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135824 LRKGZOFBNMWCGC-QZTJIDSGSA-N 493.995 5.478 5 1 JKBF CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136069 YRHYQPDMRTWOFH-WOJBJXKFSA-N 467.614 5.288 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2c(Cl)c(Cl)ccc2c2cc(C(F)(F)F)ccc12 169339325 UXPYTYHHGXFFSL-QHCPKHFHSA-N 486.405 8.254 5 1 JKBF CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](Oc1cc2ccccc2c2ccccc12)c1ccnc2ccc(O)cc12 299813156 OVOHVXCZSNSNOD-IZNLFHFUSA-N 488.631 7.487 5 1 JKBF C[C@H](O)c1ncc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)s1 587021464 IOJWCAYLINDJEN-NSHDSACASA-N 499.504 5.022 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587049676 DKEASYSWRFJAFM-UHFFFAOYSA-N 453.079 6.467 5 1 JKBF Cn1nc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587130072 DTVHZLFGFFIPSU-UHFFFAOYSA-N 493.477 5.876 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587265304 VUQUCSWRNOVZDA-GFCCVEGCSA-N 492.326 5.372 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c1)O2 587375675 NTSXFXZLKUZQRM-QFIPXVFZSA-N 473.312 6.078 5 1 JKBF C[C@]1(Cc2ccc(Br)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537874 BKIYXEZGSPIRLB-SIKLNZKXSA-N 470.275 5.026 5 1 JKBF COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1[N+](=O)[O-] 587743339 AMLQAHCXEAPFEI-ZAMGYDSWSA-N 499.336 5.574 5 1 JKBF Cc1cc2c(cc1O)[C@@](CCCCCC(=O)O)(c1cc3ccccc3c3ccccc13)N[C@H](C(=O)O)C2 963506800 GBYYGIXRSATMFT-DHIFEGFHSA-N 497.591 5.885 5 1 JKBF CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 27648893 SGDAMFGCTDDEGK-JJKYIXSRSA-N 473.407 7.491 5 1 JKBF O=C1NCc2c1c1c3cc(/C=C/c4ccccn4)ccc3n3c1c1c2c2ccccc2n1C[C@@H](CO)C3 28819574 BIJLGWWDWJZUPE-LHUXKHBRSA-N 484.559 5.333 5 1 JKBF COc1cc([C@@H](CC(=O)c2cccc(C)c2)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 49802619 MTVUDQFRNPOFDL-OAQYLSRUSA-N 450.491 5.355 5 1 JKBF Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1C 72177370 IQMDGCPCDZCCJY-VWLOTQADSA-N 454.555 6.691 5 1 JKBF CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]2C1 254142528 DZQLBFSYEPOYJZ-FRBFLBBZSA-N 471.557 5.909 5 1 JKBF Clc1cccc(OCc2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)o2)c1Cl 587058018 YYMDTRNVTDCTKI-UHFFFAOYSA-N 459.332 8.015 5 1 JKBF O=C1C[C@H](c2ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587504702 FUNGSUVOUCRWMX-HSZRJFAPSA-N 499.510 7.350 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccn3)c(C(C)C)c2c1 587620955 KPPQOPVUUJZEBD-UHFFFAOYSA-N 466.519 5.071 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)N1 587705574 YQYGPWHHJKQALG-VERVWZFWSA-N 491.744 6.566 5 1 JKBF Nc1c(-c2cccc3ccccc23)c2ccc([N+](=O)[O-])cc2c(=O)n1-c1nc2ccccc2s1 1653900 BHCBUFMRZPERKN-UHFFFAOYSA-N 464.506 5.911 5 1 JKBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCC2CCCCC2)cc1 2480509 KVXJRWCISCHDQL-UHFFFAOYSA-N 469.925 5.889 5 1 JKBF O=C(O)C1CCN(Cc2cc3cc4c(cc3c3cc(OCc5ccccc5)ccc23)OCO4)CC1 28706269 MWYMLEXBWYVTBM-UHFFFAOYSA-N 469.537 5.597 5 1 JKBF CCN(Cc1ccccc1)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 82136107 GDPQRLMYSDIRQW-UHFFFAOYSA-N 499.546 5.508 5 1 JKBF Cc1oc(-c2cnc(NCC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163521 CSSGDDJBSCXPGV-UHFFFAOYSA-N 469.545 6.674 5 1 JKBF CCCCc1nc2cc([N+](=O)[O-])ccc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 98084360 SAYWVOMOYRHWNB-UHFFFAOYSA-N 453.506 5.183 5 1 JKBF O=C(O[C@H]1C[N+]2(Cc3cc(-c4ccccc4)no3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1 103278233 XRHBTBUUJLJXQO-JUEZVXFGSA-N 473.637 6.221 5 1 JKBF O=[N+]([O-])c1ccc2[nH]cc(C(c3ccc(Br)cc3)c3c[nH]c4ccc([N+](=O)[O-])cc34)c2c1 299827476 FYDLSIKNOHQZKF-UHFFFAOYSA-N 491.301 6.408 5 1 JKBF O=C1C[C@H](Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c2c(Br)cccc2O1 587004240 RZPNIPADVROEBF-LBPRGKRZSA-N 459.303 5.057 5 1 JKBF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c5cccnc5c5ncccc5c4[nH]3)nc2n1 587115316 SRAYIEDNWJDZAO-UHFFFAOYSA-N 493.518 6.125 5 1 JKBF O=C(O)c1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)c1 587576264 NTRHNGVROKJINI-OZXSUGGESA-N 483.432 5.369 5 1 JKBF CC[C@H](C)c1ccc2[nH]c(C)c([C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c2c1 587640618 BQUHXUSHESOJTK-GENHPLMOSA-N 482.536 6.448 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 587746316 JNLYSRDZCUSGQM-CMJOXMDJSA-N 455.327 5.517 5 1 JKBF O=[N+]([O-])c1cccnc1Oc1ccc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962960526 UZSQBOCJBKYTEU-JOCHJYFZSA-N 485.462 5.542 5 1 JKBF CSc1ccc(/C=C/c2ccc3c(c2)c(NCCN2CCCC2)c2[nH]c4ccccc4c2[n+]3C)cc1 1857537882 CEOCHXPQMJPYFV-MDZDMXLPSA-O 493.700 6.699 5 1 JKBF Cc1cc(C)cc(-c2c(OCCC[C@H]3CCCCN3)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 26577395 ODCGRDVGQOHFAB-GOSISDBHSA-N 469.969 5.675 5 1 JKBF C[N+](C)(C)[C@H]1CCC[C@@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1CCCCC1 28712526 UNKINHDOSMZFNA-DQEYMECFSA-O 458.644 7.149 5 1 JKBF CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174321 YGPFTUTYVKAOBE-ZEPOWFQYSA-N 463.607 6.220 5 1 JKBF O=[N+]([O-])c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1 95596076 GKKAUXFLHZXPSP-UHFFFAOYSA-N 473.558 5.851 5 1 JKBF CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]3[C@@H]2C1 195514538 SCFFICSANODMCT-KQXNSLOQSA-N 471.557 5.909 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587159135 MWXNYQAIXDLKEL-LJQANCHMSA-N 476.689 6.195 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)CC2=O 587459978 FINPSEPRUBBKII-HSZRJFAPSA-N 453.878 6.405 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3cc(C)ccc3[N+](=O)[O-])c1)CC2=O 587473374 SWPSQGANOHQEGR-VWLOTQADSA-N 477.513 5.855 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)N1 587735616 YENWAUGVZVNKRG-MQJDWESPSA-N 479.277 5.431 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])N1 587749445 YCBPEUYFYVEZET-IPQOISQHSA-N 485.309 5.485 5 1 JKBF 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(=O)O)C(C)(C)CCC1 936070154 UGJYMKZYSUMAKJ-IZWZLYCRSA-N 498.751 10.110 5 1 JKBF in-vitro C[C@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 4051531 HXYVSDQXRKCJSK-BKAZIGDYSA-N 467.884 5.357 5 1 JKBF CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 105176621 UOHCGRZDILBMAC-XTNBKJMLSA-N 451.571 5.063 5 1 JKBF COc1cc2cc(C(=O)C[C@@H]3CCCC[N@+](C)(Cc4ccccc4)CC3)sc2cc1OC 261137710 MKTGQOMRSQXJEL-NGOKVRLYSA-N 452.640 6.328 5 1 JKBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1F 587139431 KBGXBCSJYWFHSX-UHFFFAOYSA-N 481.292 5.385 5 1 JKBF COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c([N+](=O)[O-])c1 587746050 IUFLYJBDQVCOCE-FIKIJFGZSA-N 461.287 5.389 5 1 JKBF N=C(NCCCCCCCCCCCCNC(=N)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 64540701 KCGMVQTVOQUZHS-UHFFFAOYSA-N 496.612 5.934 5 1 JKBF CC[C@H](C)[C@H](Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1)C(=O)NCc1cccc(Cl)c1 82195848 WOANBLLJIWLXDT-RBZFPXEDSA-N 493.416 6.168 5 1 JKBF O=C1S/C(=C\c2c3ccccc3nc3ccccc23)C(=O)N1Cc1c2ccccc2nc2ccccc12 103187817 YLTHBUOWGZRLRE-RHANQZHGSA-N 497.579 7.326 5 1 JKBF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 586936029 GTTVQTXQQBUHPT-JOCHJYFZSA-N 463.990 6.198 5 1 JKBF COc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1OC 587039550 YRRSPQWVWNJAOU-UHFFFAOYSA-N 464.528 5.916 5 1 JKBF O=S(=O)(Nc1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1cc(F)ccc1F 587140144 HCIHXFOQZGVWEE-UHFFFAOYSA-N 487.491 5.405 5 1 JKBF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587330514 BUDPVKXCGMKHJR-WIOPSUGQSA-N 451.450 5.285 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 587750862 JXWURPITCNSURH-QKFKETGDSA-N 471.326 5.699 5 1 JKBF CCN(c1ccc(-c2csc(-c3c4ccccc4cc4ccccc34)n2)cc1)S(C)(=O)=O 587923030 KWURUCFMTWOLEY-UHFFFAOYSA-N 458.608 6.569 5 1 JKBF COc1cc2c(cc1OC)CN(CCCCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 1772624921 FXMTXJFKJPXBGJ-UHFFFAOYSA-N 467.488 5.271 5 1 JKBF COc1ccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCc3cccc([N+](=O)[O-])c3)c2)cc1 1857745815 CTIDVDPLXAFVRC-UHFFFAOYSA-N 483.524 5.420 5 1 JKBF Cc1ccc(CNc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 82147814 ZNMBCKCGUHVRHS-XXXPQLKYSA-N 489.576 5.366 5 1 JKBF CN(C(=O)Oc1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(C[N+]3([O-])CCCCC3)cc2)CC1 100951825 JGTBGQFHKVMJEV-QUPDYRNUSA-N 457.014 6.496 5 1 JKBF O=[N+]([O-])c1ccccc1-c1nc2scc(-c3ccc(Br)cc3)n2c1NC1CCCCC1 299819778 BTDMITWAMGFLIX-UHFFFAOYSA-N 497.418 7.145 5 1 JKBF O=c1oc2ccc3ccccc3c2cc1-c1cc(-c2cccc(Cl)c2)nc(Cc2ccc(F)cc2)n1 473114597 NXHHWNDQJPZHHV-UHFFFAOYSA-N 492.937 7.454 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587113274 GINDTIBGDWMLFL-UHFFFAOYSA-N 478.224 6.712 5 1 JKBF CC1=C[C@H](CN(C)Cc2cccnc2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2356834970 AJOTUSLDCBFHSQ-JBRSBNLGSA-N 475.593 5.569 5 1 JKBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N(C23CC4CC(CC(C4)C2)C3)C1 40766872 KNYKYAAWWKOHFS-KWXXXVKASA-N 466.625 5.769 5 1 JKBF O=C1c2ccccc2[C@](O[C@@H]2C=C[C@@H](O)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 66114389 PUIQNHJMZHDIFX-AZSVPQILSA-N 490.943 5.201 5 1 JKBF O=C1c2ccccc2[C@](O[C@H]2CC[C@@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 66128711 RTMYOLAVEDNGOT-TVZXLZGTSA-N 478.932 5.035 5 1 JKBF Cc1ccc(CNc2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82135951 MINVJLPKLWVMSZ-UHFFFAOYSA-N 485.544 5.616 5 1 JKBF COc1cc2c(=O)c3c(O)c4c(c(CCC=C(C)C)c3oc2c(O)c1OC)OC(C)(C)C=C4 95485972 WNDIRKLYPPHBRF-UHFFFAOYSA-N 452.503 5.458 5 1 JKBF biogenic,in-vitro Cc1ccc(CCC[N+]23CCC(CC2)[C@@H](OC(=O)C2(C4=CC=CC4)CCCCCC2)C3)c(C)n1 103288765 LVHKGMAYXOTDSE-AJXMQQCNSA-N 463.686 6.010 5 1 JKBF Cc1cc(O)cc(O)c1-c1c(N)cc2oc3cc(=O)c(-c4c(C)cc(O)cc4O)c(C)c-3nc2c1C 165796128 IMYQEAUQRXPUJS-UHFFFAOYSA-N 484.508 5.265 5 1 JKBF in-vitro Cc1ccc2c3c(c4c(nc13)-c1cc3ccc5cccc6ccc(c1CC4)c3c56)-c1ccccc1C2=O 587101862 WVZGOAITEBLUIJ-UHFFFAOYSA-N 471.559 8.418 5 1 JKBF C[C@]1(COc2ccc3c(c2)oc(=O)c2ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610598 PWCPJZDLSPJFMB-VAVYLYDRSA-N 480.472 5.451 5 1 JKBF Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587697861 UPSJOHVHKBAAQT-PSLXWICFSA-N 489.772 6.284 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2ccc3c(c2)oc(=O)c2ccccc23)N1 587842130 PGYNIRRAQITYIK-HWRSSNJWSA-N 482.349 5.676 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)N1 587846699 QTNYOKINQSTLNI-PSLXWICFSA-N 487.394 6.412 5 1 JKBF O=[N+]([O-])c1ccc([C@H]2CCc3ccccc3[C@@]23c2nc(Cl)cc4c2CCN3C4)c2ccccc12 963466746 FFQAXNAPRRQTGX-YWEHKCAJSA-N 467.956 6.142 5 1 JKBF Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCOCC4)cc3)c21 28523163 CHIFIFZCODWRBM-UHFFFAOYSA-N 474.582 5.180 5 1 JKBF O=[N+]([O-])c1cc2c(OCC[C@H]3CCCCN3)c(-c3cccc(Cl)c3)c(O)nc2cc1Cl 29414290 PFAARKLXCOAHJZ-OAHLLOKOSA-N 462.333 5.733 5 1 JKBF O=C(NCc1ccccc1Cl)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135630 PKZYOTDIZCIRQK-UHFFFAOYSA-N 465.941 5.380 5 1 JKBF CCCC[N+]1(C[C@H]2c3ccccc3CCN2C(=O)[C@@H]2CC(=O)c3ccc(Cl)cc32)CCCC1 209488498 BOXGXKNDLGLNAP-FTJBHMTQSA-N 466.045 5.547 5 1 JKBF CC[N+](CC)(CC)C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(C)C)C[C@H]3CC[C@@H]12 299818599 AEKZRHRRTOYWFU-VSSCCRGQSA-N 464.755 6.062 5 1 JKBF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1C=O 586967510 AENXDJOACYDZIL-UHFFFAOYSA-N 476.345 5.436 5 1 JKBF C[C@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374473 KMZNANBCFCTSPS-AOYPEHQESA-N 475.497 6.442 5 1 JKBF CC(C)(C)[C@]1(COc2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541638 GJBVNDUZEGKVPE-SQJMNOBHSA-N 483.904 5.779 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc12 587577240 RFKSZWFFTCDWIK-HSZRJFAPSA-N 482.404 5.094 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N1 587698363 PWQBTTDRBJBZEH-CFMSYZGJSA-N 465.706 6.033 5 1 JKBF O=c1c2sccc2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc(Br)cc1 2908718 KBDNRPQNXIZRSA-UHFFFAOYSA-N 474.361 5.410 5 1 JKBF COc1ccc2c(ccn2CCCCCCCCCOC(=O)c2ccc([N+](C)(C)C)cc2)c1 26992578 XIWDUGPPDGXLLX-UHFFFAOYSA-N 451.631 6.434 5 1 JKBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C)CCC(C)(C)O4 238783464 AMTWPTCWHPZWRT-LICLKQGHSA-N 478.585 6.705 5 1 JKBF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc(C(C)(C)C)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434623 XBPIWWYXQQSWTC-RXFWQSSRSA-N 459.498 6.182 5 1 JKBF O=C1C[C@@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587504023 HYFZZYKVULBNBY-RUZDIDTESA-N 468.336 6.689 5 1 JKBF CCOC(=O)CSC1=N[C@H](c2cccc([N+](=O)[O-])c2)c2sc3ccc(Cl)cc3c2N1 1857563010 DIVMOUMQQXKJIR-QGZVFWFLSA-N 461.952 5.630 5 1 JKBF CCN(CC)CCOc1ccc([C@H](c2ccc(O)cc2)c2cc3ccccc3c3ccccc23)cc1 28709352 FVAUFGXZKUEVAE-XIFFEERXSA-N 475.632 7.599 5 1 JKBF COc1ccccc1[C@@H]1S[C@@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 49808461 KZRFJNGEKILSPF-FUDKSRODSA-N 451.479 5.448 5 1 JKBF COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097966 MIOCVTPKYZJDFP-FYJGNVAPSA-N 450.450 5.376 5 1 JKBF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2F)c1 587142731 AJAHKWKJACOJCN-UHFFFAOYSA-N 486.253 5.414 5 1 JKBF CCCOc1cc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2cc1Br 587265209 PUERYIPRMAFIEM-UHFFFAOYSA-N 484.354 5.551 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c([N+](=O)[O-])c2)([C@H](C)CC(=O)O)N1 587698685 ZTWRVNXCLFKTNN-HZNYWTHISA-N 485.737 5.038 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)N1 587842731 FVSQBHXQNASRAN-MCMMXHMISA-N 473.367 6.271 5 1 JKBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 587864978 XHBWDNKKIIFJRJ-UHFFFAOYSA-N 481.839 6.042 5 1 JKBF COc1ccc(Nc2ncnc3c2[C@@H](c2ccc([N+](=O)[O-])cc2)c2ccc4ccccc4c2O3)cc1 1772579127 ALLCUPMBQWBPNT-DEOSSOPVSA-N 476.492 6.576 5 1 JKBF COc1c(O)cc2oc3c(CC=C(C)CO)c(O)cc(O)c3c(=O)c2c1CC=C(C)CCC=C(C)C 2356421584 OCKLFXKYZPPEFU-UHFFFAOYSA-N 494.584 5.788 5 1 JKBF O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 773627 SGZAKWJGVDQESC-IBGZPJMESA-N 495.894 5.043 5 1 JKBF CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 13862623 PYGZDANTNNNKDC-UHFFFAOYSA-O 475.697 6.790 5 1 JKBF CCCN(CCC)c1c([N+](=O)[O-])cc(Sc2cc(C)c(Cl)cc2Cl)cc1[N+](=O)[O-] 64448439 PVVJVKBAQSLUKN-UHFFFAOYSA-N 458.367 6.896 5 1 JKBF O=c1nc2c3cccc4c(N5CCSCC5)ccc(c-2c1NCCCCCc1ccccc1)c43 95594032 AOBCRGFVAZHASJ-UHFFFAOYSA-N 467.638 6.107 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1[N+](=O)[O-] 587068804 ZGBMLUIPHHOZFB-UHFFFAOYSA-N 450.798 5.145 5 1 JKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587070831 IBDYUDGRPKKPJN-ITHHYBAMSA-N 459.380 7.332 5 1 JKBF Cc1c(Br)cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1C 587118350 MQVBRPNKFBYLGB-UHFFFAOYSA-N 494.271 5.781 5 1 JKBF O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)[C@H]1c1ccc(F)cc1 587339802 FPMRGUSPVARUOE-BDYUSTAISA-N 472.472 5.975 5 1 JKBF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3cc([N+](=O)[O-])ccc3SCc3ccco3)N12 962661781 ICYBASTUNKGWFJ-OZXSUGGESA-N 489.553 5.216 5 1 JKBF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)c1ccc2cc3ccccc3cc2c1 963831779 JIEVUMYYNUNSCM-WXGMZPBLSA-N 495.619 7.201 5 1 JKBF O=[N+]([O-])c1ccc(NC(=S)Nc2cccc(-c3nc4cc(C(F)(F)F)ccc4s3)c2)cc1 1857759366 ZDPLCGGOSCJQLF-UHFFFAOYSA-N 474.489 6.699 5 1 JKBF COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4c(OCc4ccccc4)cc3c2cc1OC 1582263 KUIZOCPAFQFBRE-UHFFFAOYSA-N 470.545 5.584 5 1 JKBF C[C@@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](OC(=O)c5cccc6cc7ccccc7nc56)[C@H]4CC[C@@H]3[C@H]21 6009951 BVBMXURPKQELKP-BRPOORMSSA-N 481.636 6.991 5 1 JKBF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 82148405 DBLCKTBFCVBBCL-GAJHUEQPSA-N 493.995 5.668 5 1 JKBF O[C@H](C[C@H]1CCCCN1)c1cc2ccc(Br)cc2c2cc(Br)ccc12 169339450 SMBARBYJPSQMOX-IIBYNOLFSA-N 463.213 6.084 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C[C@H]2CCCC[C@H]21 587028714 ZMQXGHWNKXHSEU-XYPHTWIQSA-N 489.395 5.370 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587265345 WVFMMLHADLISHJ-INIZCTEOSA-N 461.474 5.401 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 587550229 VTJFIBVOYXFYKA-ZEQKJWHPSA-N 489.867 6.449 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2[N+](=O)[O-])N1 587682707 VAOLZAYWDVJACP-HUTHGQBESA-N 458.125 5.057 5 1 JKBF O=C1c2ccccc2-c2ccc(C3=CCc4c5ccccc5c(O)c5cccc3c45)c3cccc1c23 957848316 IURPICJUKLDDTD-UHFFFAOYSA-N 460.532 8.051 5 1 JKBF COc1ccc2c(c[n+]3c4c2cc(Cc2c(F)cccc2F)c2c5c(cc(c24)CC3)OCO5)c1OC 1857538386 MHDZAZHGAYZBDS-UHFFFAOYSA-N 486.494 5.605 5 1 JKBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)CCC=C(C)C)C[C@@H](O)C(C)(C)O4 2356648227 SZJVILSJACSJTP-HSZRJFAPSA-N 494.584 5.676 5 1 JKBF O=C(CC[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1)C1CCN(c2ccc(F)cc2)CC1 27635417 GRNIONRZPGYZTD-MHZLTWQESA-N 462.521 6.120 5 1 JKBF C[N+](C)(C)CCCCCCCCCC[n+]1c(-c2ccccc2)cc(N)c2ccc3ccc(N)cc3c21 42964214 KGCZCAVBXYUHTB-UHFFFAOYSA-O 484.732 6.939 5 1 JKBF in-vivo Cc1ccc(-c2cc(Cc3ccco3)c3c(ncn4c(=O)c5cc(Br)ccc5nc34)n2)cc1 45386087 KENBAOQDFXYXBW-UHFFFAOYSA-N 497.352 5.713 5 1 JKBF Cc1nc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163400 WHCXHSYAGPSVPM-UHFFFAOYSA-N 469.423 5.955 5 1 JKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(Br)ccc2c2cc(C(F)(F)F)ccc12 169337783 LCNWRLAJHIEHCI-KKSFZXQISA-N 452.314 6.340 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2c(Cl)cc(Cl)cc12 169337832 VBVJEQQMXRHXBD-QHCPKHFHSA-N 487.298 8.542 5 1 JKBF O[C@H](C[C@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2ccc(Cl)cc12 169337843 XWUOPMDUJBLJRP-FOIQADDNSA-N 475.860 7.250 5 1 JKBF O=[N+]([O-])c1ccc([C@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)cc1 195438040 LMBHSQMAJGISMT-YDEMYLEWSA-N 467.569 6.241 5 1 JKBF COc1cc2cc(C(=O)[C@@H]3CC[N@@+](C)(Cc4ccccc4)CC[C@H]3OC)sc2cc1OC 261161912 RANOFWRVYDDHPM-LGVUCKNBSA-N 454.612 5.173 5 1 JKBF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 586999443 ACQVPGOUGVSVOD-UHFFFAOYSA-N 457.283 6.111 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587063198 HSYWIKNGZWCCOO-UHFFFAOYSA-N 458.699 6.133 5 1 JKBF CC(=O)c1ccc(-c2cc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)ccc2F)cc1 587139835 ZWNUZRZODZZJIO-UHFFFAOYSA-N 454.255 5.909 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 587574375 GBSCPYORQJCAQK-BVAGGSTKSA-N 455.422 5.796 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc([N+](=O)[O-])cc1 587575687 KFNVWSOSGSIVAQ-SQHAQQRYSA-N 469.449 5.582 5 1 JKBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc([N+](=O)[O-])cc1Br 587865208 ZENYUMDHXRJJSG-UHFFFAOYSA-N 457.206 5.023 5 1 JKBF CC[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963192875 PLPHAHGFNNSHER-QAPCUYQASA-N 463.239 5.173 5 1 JKBF COc1cc(C(=O)c2cn(-c3ccc(C)cc3)cc2-c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 1857564201 MRRGCNCDZWSHNV-UHFFFAOYSA-N 472.497 5.618 5 1 JKBF CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)c(CCCOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 29394353 KCXHYGGBNFDKMD-DNQXCXABSA-N 494.544 6.613 5 1 JKBF O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)nc3ccc(O)c1c23 586988983 VGLYPTYKXBPOSG-UHFFFAOYSA-N 492.462 6.445 5 1 JKBF Clc1ccc(CC/C(=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)c2ccccc2)cc1 587073496 JMCZHRMREOANCI-BSYVCWPDSA-N 458.992 8.696 5 1 JKBF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc([N+](=O)[O-])c21 587342612 OJSREPOXXVRWKO-LEAFIULHSA-N 481.435 5.287 5 1 JKBF COc1cccc(-c2cc(CC(=O)OCc3ccc([N+](=O)[O-])cc3)nc3c2oc2ccccc23)c1 587362699 KCDBOZZAMZSMCR-UHFFFAOYSA-N 468.465 5.851 5 1 JKBF O=C(O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c([N+](=O)[O-])c2)cc1F 587507788 SXABKVASMLPXNM-DEOSSOPVSA-N 461.445 5.684 5 1 JKBF O=C(Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c1)c1nccc(-c2ccc([N+](=O)[O-])cc2)n1 653735589 YGLZNHVUNUNJMS-UHFFFAOYSA-N 470.420 5.063 5 1 JKBF Cc1ccc2[nH]c3ccccc3c(=Nc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)c2c1 653768405 GKZKKBZXUWSTQI-UHFFFAOYSA-N 473.985 6.316 5 1 JKBF COc1cc(COc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)cc2Cl)cc(OC)c1 653894811 ODZMOZNFENCZLM-UHFFFAOYSA-N 481.892 5.578 5 1 JKBF O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(CN3CCOCC3)cc2)nc2ccc(F)cc12 1772609505 PRSWOQFKRKFVJL-UHFFFAOYSA-N 486.503 5.034 5 1 JKBF COCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174147 QQVWTDHPSUCZHG-UHFFFAOYSA-N 477.546 5.299 5 1 JKBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587266176 JDBXQQOIRLCNNA-ZETCQYMHSA-N 474.193 5.334 5 1 JKBF O=C1C[C@H](c2ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587504599 FOSBJFYHCMSNSX-XMMPIXPASA-N 483.442 6.991 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SCc2ccco2)c([N+](=O)[O-])c1 587612353 JPYRSQFHXGDWKK-DHLKQENFSA-N 475.478 5.889 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1 587719815 LUFMOQUGFDBWGM-MGNBDDOMSA-N 477.252 5.387 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2[N+](=O)[O-])(c2ccccc2)N1 587749852 ZTICPACDCGLWIB-AFXFOQOHSA-N 467.338 5.988 5 1 JKBF COc1cc2c(cc1OC)[C@](C)(c1cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c1)N(C)[C@@H](C)C2 962641295 ZVPDAHWEQRNWAU-HPGBDJQBSA-N 489.572 5.313 5 1 JKBF CCOc1cc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)ccc1Oc1nn(C)cc1[N+](=O)[O-] 963108418 LVVCCEPMBWTQSR-FQEVSTJZSA-N 463.321 5.061 5 1 JKBF CC1(C)C[C@H](O)c2cc(OCc3ccc([N+](=O)[O-])cc3)c(OCc3ccc([N+](=O)[O-])cc3)cc2O1 1772638533 SMXZREIVHGBWMW-NRFANRHFSA-N 480.473 5.256 5 1 JKBF COc1cccc([C@@H]2CC(=O)Nc3c2c2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc32)c1 1857643017 MPFPEBDOYOTMCH-KRWDZBQOSA-N 473.525 5.510 5 1 JKBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccccc1F 4295093 VOMOICNDLLXYNX-DHIUTWEWSA-N 475.948 5.760 5 1 JKBF O=C(NCCC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1 40918101 BQMLVIPNBYBAFL-MUUNZHRXSA-N 450.538 6.065 5 1 JKBF COc1ccccc1[C@@H]1S[C@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 253805283 KZRFJNGEKILSPF-XJUOHMSHSA-N 451.479 5.448 5 1 JKBF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@@H]2CCCC[C@H]21 586961089 PGTCYFNJNCIINM-YZYNAAERSA-N 481.621 6.564 5 1 JKBF CCOc1cc(/C=C\c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(Br)c1OC 586978030 KLYPFCURSPTSTD-DAXSKMNVSA-N 497.143 5.574 5 1 JKBF Brc1cc(/C=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc2c1OCCO2 587001198 LWBYYGJAGVJKGY-WAYWQWQTSA-N 459.303 5.363 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587054036 IGRQGBBRYVLSEM-INIZCTEOSA-N 458.799 5.410 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3cccc([N+](=O)[O-])c3)c1)CC2=O 587472306 GAPFCTKBSWYXTJ-RUZDIDTESA-N 463.486 5.547 5 1 JKBF CCOc1ccc(-c2nn(C(=S)Nc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC 587671070 OSJKREOQHCLALQ-UHFFFAOYSA-N 490.541 5.014 5 1 JKBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587747480 OBUUQWUHZKAWLY-FIKIJFGZSA-N 461.287 5.389 5 1 JKBF c1cc(OCCOc2ccc(C[N+]34CCC(CC3)CC4)cc2)ccc1C[N+]12CCC(CC1)CC2 1857537262 VTLVMBYLKWQCKI-UHFFFAOYSA-N 462.678 5.405 5 1 JKBF Cc1cc(NCCCCCCNc2cc(C)nc3cc([N+](=O)[O-])ccc23)c2ccc([N+](=O)[O-])cc2n1 1560988 RGRVGIPPZPIPDM-UHFFFAOYSA-N 488.548 6.301 5 1 JKBF Cc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163960 ODUXLVMUTKLRMQ-UHFFFAOYSA-N 493.592 6.805 5 1 JKBF C[C@@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2cc3ccccc3c3ccccc23)nn1 84759240 DEMWZBXNOBYJNY-IBGZPJMESA-N 455.586 8.229 5 1 JKBF CC(C)Oc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1ccccc1 96285577 KPOVAZLKELMBJH-UHFFFAOYSA-N 473.573 6.014 5 1 JKBF COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OC(=O)c1ccc(F)cc1F 96937412 XNVGZLXYJYXCMD-UHFFFAOYSA-N 486.450 5.225 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587069548 JMBKXWHUCPNQIO-SFQUDFHCSA-N 482.765 7.060 5 1 JKBF COc1ncc(F)cc1-c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 587176149 PEATZCUJUCJHEC-UHFFFAOYSA-N 497.438 5.055 5 1 JKBF COc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1COc1cccc(Cl)c1Cl 587280399 WBQXJOAGORATQQ-UHFFFAOYSA-N 472.280 6.466 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1NCc1ccc(OC)cc1)CC2=O 587473708 ZWXDCWAIJWNNKR-RUZDIDTESA-N 462.502 5.580 5 1 JKBF CCOC(=O)CCCCCC[C@]1(c2ccc(OC)c([N+](=O)[O-])c2)c2ccc(F)cc2C[C@H]2CCCN21 963104605 LYBQCEDFJBWMMN-LXFBAYGMSA-N 498.595 5.910 5 1 JKBF Cn1cc(-c2nn3cc(-c4ccc([N+](=O)[O-])cc4)nc3s2)c2cc(Br)ccc21 1857555914 RDUZGWYMGDFUKR-UHFFFAOYSA-N 454.309 5.287 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82148831 AJZNYLYCDINZFF-SFTDATJTSA-N 487.604 5.505 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)CC2=O 587489703 DBUKOVVNNIUNHD-JOCHJYFZSA-N 469.946 6.764 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(F)c([N+](=O)[O-])c1 587553405 ARQQSKMPAVVAJN-OZXSUGGESA-N 457.413 5.345 5 1 JKBF C[C@@](O)(CSc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857577670 RJWKLWFVRLRGJT-MRXNPFEDSA-N 468.375 5.114 5 1 JKBF CCCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)ccc21 28525382 AKCDWELULNEIRT-UHFFFAOYSA-N 485.610 5.966 5 1 JKBF O=C(NC1CC1)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1nc(NC3CC3)ncc12 199790876 OZLMTTYAXUNEFV-UHFFFAOYSA-N 478.478 5.407 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(F)c([N+](=O)[O-])c1 587553408 ARQQSKMPAVVAJN-ZEQKJWHPSA-N 457.413 5.345 5 1 JKBF Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587696406 UERYEZMYIGPTJZ-LFVRLGFBSA-N 489.772 6.284 5 1 JKBF CC(=O)OCCCc1ccc2c(c1)c1cc(CCCOC(C)=O)cc3c1c(c1ccccc1n3C)[n+]2C 13675626 DNGBQTNQMWAGRY-UHFFFAOYSA-N 497.615 5.454 5 1 JKBF CCCC/N=c1\cc2n(-c3ccccc3)c3ccc(Cl)cc3nc-2cc1Nc1ccccc1 27650927 HZRXYYKTTNOUIK-JJKYIXSRSA-N 452.989 7.228 5 1 JKBF CCOC(=O)Oc1c2[nH]c3ccc(C(=O)OCC)cc3c2cc2c1[nH]c1ccc(C(=O)OCC)cc12 28710099 MDYMYIMXJDBOSA-UHFFFAOYSA-N 488.496 5.844 5 1 JKBF O=c1c2ccc(Sc3ccccn3)cc2n(-c2ccccc2)c2cc(Sc3ccccn3)ccc12 45188907 HFAZMBBEUPDVLQ-UHFFFAOYSA-N 489.625 7.236 5 1 JKBF CC(C)C[C@H](Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1)C(=O)NCCCc1ccccc1 82195898 LSILKMHRNPTJMV-FQEVSTJZSA-N 487.025 5.947 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267259 HRYAVJMEIGJQJG-UHFFFAOYSA-N 453.502 5.579 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 587574376 GBSCPYORQJCAQK-JYFHCDHNSA-N 455.422 5.796 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(NC(C)C)c2c1 587620867 HYZQSWMHOBSDPR-UHFFFAOYSA-N 480.546 5.373 5 1 JKBF COc1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 587743428 AQOGXPCBTNLVMD-NPMABZOXSA-N 487.325 5.921 5 1 JKBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587749176 XRXGUHWIUAVYGT-MQJDWESPSA-N 461.287 5.389 5 1 JKBF Cc1c(F)ccc2c1[C@@](C)(c1cc([N+](=O)[O-])c(Sc3cccc(Cl)c3Cl)s1)NCC2 962147313 OQEDZHSNJFNSHG-OAQYLSRUSA-N 483.417 6.971 5 1 JKBF O=C(NCc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774815 QXTWUPXNWSAUBS-UHFFFAOYSA-N 477.860 5.229 5 1 JKBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccccc1F 4295096 VOMOICNDLLXYNX-GOTSBHOMSA-N 475.948 5.760 5 1 JKBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccc(F)cc2)cc1 13584460 RIQJZHNIFCUNCE-UHFFFAOYSA-N 471.517 5.881 5 1 JKBF CCc1cnc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2cccc([N+](=O)[O-])c2)s1 82163403 YLWXRHKXKPTQQM-UHFFFAOYSA-N 485.491 6.369 5 1 JKBF O=S(=O)(NCCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1c(Cl)cccc1Cl 586943108 VTGSYXDVZLTAGF-UHFFFAOYSA-N 470.381 5.697 5 1 JKBF CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc([N+](=O)[O-])c2[nH]1 587226852 UXJXXQMAUNMJRT-VWLOTQADSA-N 498.583 6.877 5 1 JKBF COC(=O)c1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 587264485 GKLVMPINDFPNRT-LBPRGKRZSA-N 494.439 5.222 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 587571684 ONWHZIRMUUOQKX-OZXSUGGESA-N 473.412 5.935 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)Nc2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 587746335 JNPPOODCAXFUGL-OWJWWREXSA-N 498.352 5.303 5 1 JKBF CCc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587752322 RAIPQJYJZJRVEZ-MCMMXHMISA-N 459.315 5.478 5 1 JKBF C[C@@H]1CC=CC[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587967818 SRFTWAKIAFOQRR-RHSMWYFYSA-N 466.493 5.915 5 1 JKBF C[C@]1(c2ccc(Br)cc2[N+](=O)[O-])c2cccc(F)c2CCN1[C@@H]1CCSC1 962706729 OIHGPLKNJQGGEI-JLTOFOAXSA-N 451.361 5.124 5 1 JKBF FC(F)(F)c1cc(NC(=S)Nc2ccc3cc4ccccc4cc3c2)cc(C(F)(F)F)c1 8689882 CFUOKLUICPHJND-UHFFFAOYSA-N 464.434 7.840 5 1 JKBF aggregator Cc1oc(-c2cnc(NCc3ccccc3F)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174753 FKUHBJFUXWQTNS-UHFFFAOYSA-N 481.487 6.433 5 1 JKBF Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)cc3)c-2c/c1=N\C(C)C 95577456 UPNLDTDVUJEPDW-BGABXYSRSA-N 453.977 6.540 5 1 JKBF O=C(Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1)c1ccc(Br)cc1 586985073 YFOYYMZKHYPLFD-UHFFFAOYSA-N 494.352 6.341 5 1 JKBF Cc1c(OC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc2c1oc(=O)c1ccccc12 587608815 MASZZEIFOIUTOD-QCDSWUKFSA-N 494.499 5.760 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)N1 587846700 QTNYOKINQSTLNI-QKFKETGDSA-N 487.394 6.412 5 1 JKBF COc1cc([C@@H]2c3ccsc3CCN2Cc2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1 962701232 CAUDFJLQPMMFOS-AREMUKBSSA-N 476.554 5.985 5 1 JKBF CSc1nc([N+](=O)[O-])cn1C[C@H](OCc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl 66097978 BVOAJQCXKUFKBE-KRWDZBQOSA-N 474.316 6.056 5 1 JKBF Cc1cccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc([N+](=O)[O-])cc2)c1C 100706001 HVHKCNGGWUPNBK-UHFFFAOYSA-N 499.552 5.487 5 1 JKBF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587141284 NWDOKBGEGQTNBF-LJQANCHMSA-N 497.983 5.518 5 1 JKBF CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587198014 RLEMJIOYELWYPG-UHFFFAOYSA-N 491.507 5.918 5 1 JKBF C[C@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339613 UNTCVGDSSPVDFV-XNMGPUDCSA-N 476.504 5.704 5 1 JKBF O=C(Nc1ccc(OCc2ccc(C(F)(F)F)cc2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 653871497 CKBAIBRCCKTJTK-UHFFFAOYSA-N 489.837 6.580 5 1 JKBF Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962648293 WUHLOULLBLJYQL-FREGXXQWSA-N 476.580 5.216 5 1 JKBF CCN(CCCCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1 1772655319 SRHAVXMMGYCXPD-UHFFFAOYSA-N 461.627 6.582 5 1 JKBF CCCCN(C)C(=O)Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2c(Cl)cc(Cl)cn12 42877965 MCLGCWYPHSJXSM-UHFFFAOYSA-N 469.756 5.671 5 1 JKBF Brc1ccc(-c2ccc(/C=C\c3nc4cc5nc6ccccc6nc5cc4[nH]3)o2)cc1 586999118 VZRACIHJGAMWOX-BENRWUELSA-N 467.326 6.852 5 1 JKBF Cc1cc(N(C)Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c([N+](=O)[O-])cc1F 587136899 KTAFSUCOEJVQAX-UHFFFAOYSA-N 479.350 5.742 5 1 JKBF COc1cc2c3c(c1)O[C@@](COc1ccc([N+](=O)[O-])cc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587416443 BCKRSHWAEWSLRX-RDPSFJRHSA-N 496.313 5.088 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 587543998 CWXFXRAARKWZNY-ZJSXRUAMSA-N 463.829 5.917 5 1 JKBF O=[N+]([O-])c1cccc(C(F)(F)F)c1[C@@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN12 962644970 RSHDUXWMTDJWGG-DVECYGJZSA-N 453.464 5.450 5 1 JKBF COc1ccc2oc3c(CC=C(C)CCC=C(C)C)c(O)c(CC=C(C)C)c(O)c3c(=O)c2c1 2356841859 MIPRKJUEDRDLKR-UHFFFAOYSA-N 462.586 7.110 5 1 JKBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCOc1ccccc1 4216177 BYDVRFLSASKNRC-XZOQPEGZSA-N 473.957 5.457 5 1 JKBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148463 SFTNOSZRULDTTK-MOPGFXCFSA-N 465.598 5.695 5 1 JKBF Nc1sc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CCCCC1 103143218 FSOLJOAGXRHZDG-UHFFFAOYSA-N 455.967 6.288 5 1 JKBF Fc1ccc(Oc2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cn2)c(Br)c1 587161369 QNIKDSGYKMCQSA-UHFFFAOYSA-N 484.328 7.625 5 1 JKBF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Oc1ccc([N+](=O)[O-])cn1 587513797 UNZILYXLZUUNKC-HSZRJFAPSA-N 460.486 5.766 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 587571683 ONWHZIRMUUOQKX-JYFHCDHNSA-N 473.412 5.935 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586543 KNLMQEUDAWCUNO-NEKDWFFYSA-N 465.461 5.232 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)CC(C)C)c2c1 587619056 YYPNWUIOLQINTC-UHFFFAOYSA-N 499.467 5.133 5 1 JKBF COc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c(C)c1[N+](=O)[O-] 587696363 TZBNRIMVEAPHNL-UGZDLDLSSA-N 457.727 5.265 5 1 JKBF COCCOc1cc2nc3ncnc(Nc4cc(OC)c(Cl)cc4Cl)c3cc2cc1OC 13538134 JRWHIOPNOPWQDU-UHFFFAOYSA-N 475.332 5.271 5 1 JKBF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2ccccc2[N+](=O)[O-])c14 96927899 YBIZNDUNADOFLR-TZCXJBIQSA-N 491.632 6.259 5 1 JKBF O=C(Nc1ccc(Br)cc1)Nc1nc(-c2cc3cc([N+](=O)[O-])ccc3o2)cs1 473083660 CTKNCRMYRUSOHV-UHFFFAOYSA-N 459.281 5.871 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3c(S)nc(S)nc3[nH]2)ccc1Sc1nc2ccccc2s1 587038035 PHXQEYRMSDWNQW-UHFFFAOYSA-N 470.586 5.266 5 1 JKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587070830 IBDYUDGRPKKPJN-BMEKGMOSSA-N 459.380 7.332 5 1 JKBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccc([N+](=O)[O-])cc2)=C(C)Oc2cc(O)ccc21 587470126 IHZVEZGLATXFJJ-MHZLTWQESA-N 473.481 5.643 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OCc3ccccc3)cc1[N+](=O)[O-])CC2=O 587473103 PWVDAWXVBCOTCR-QHCPKHFHSA-N 463.486 5.547 5 1 JKBF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccc([N+](=O)[O-])cc1 587574324 FCPUXXSLOJGAPM-LEAFIULHSA-N 499.475 5.591 5 1 JKBF CC(C)OC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587747198 NAQARBFJYOULJP-UOZFNJSGSA-N 491.357 5.281 5 1 JKBF CC(=O)Oc1ccccc1[C@]1(c2cccc([N+](=O)[O-])c2)c2cccc(Br)c2CCN1C 963289047 IHAOSJLXEXTLCR-DEOSSOPVSA-N 481.346 5.062 5 1 JKBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C)C[C@@H](O)C(C)(C)O4 15248831 SZJVILSJACSJTP-PVBBERPISA-N 494.584 5.676 5 1 JKBF COc1cccc(C(O)(c2cccc(OC)c2)C23CC[N+](CCOCc4ccccc4)(CC2)CC3)c1 38212491 XMUDNHXQYYVLNN-UHFFFAOYSA-N 488.648 5.157 5 1 JKBF CC1CCN(c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82134519 XLKZPJFDFHOPST-UHFFFAOYSA-N 499.493 5.237 5 1 JKBF CN(C)CCN1CCN(c2c3cc(-c4ccc(F)c(F)c4)ccc3nc3c2[nH]c2ccccc23)CC1 95577075 YMXFSGMJCAREKV-UHFFFAOYSA-N 485.582 5.498 5 1 JKBF O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c1 96914478 PZDNWBQPNKLKAP-UHFFFAOYSA-N 482.521 5.673 5 1 JKBF O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 100705302 NXTUJRWQGDGFFG-UHFFFAOYSA-N 489.488 5.009 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](c1ccccc1F)(c1cc([N+](=O)[O-])ccc1NC)CC2=O 587466645 NAOWUWOHFAIGLO-VWLOTQADSA-N 450.466 5.343 5 1 JKBF O=[N+]([O-])c1ccc(Oc2c(-c3ccc(Br)cc3)[nH]c3cccc([N+](=O)[O-])c23)cc1 587644213 PZJXXIFFRFHZSH-UHFFFAOYSA-N 454.236 6.206 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 587749124 XCQYMYRYOZLVEU-IZHWHUGBSA-N 485.353 5.873 5 1 JKBF COc1ccc2c(c1OC)[C@@](C[C@H]1CCC[C@@H](C(=O)O)C1)(c1ccc([N+](=O)[O-])cc1)N(C)[C@H](C)C2 962629826 QBEGOTWGUJOFBU-KSASLJLBSA-N 482.577 5.013 5 1 JKBF COc1ccc(-c2cc(OCc3ccc([N+](=O)[O-])cc3)c3c(-c4cccs4)c(N)oc3c2)cc1 1772578038 WDMNRMFYOMVZGI-UHFFFAOYSA-N 472.522 6.906 5 1 JKBF C[C@](O)(CSc1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857608491 CUPRGQUHAYKITN-INIZCTEOSA-N 468.375 5.114 5 1 JKBF COc1ccccc1CCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135468 UHFGJWGPEBHNDI-UHFFFAOYSA-N 489.576 5.120 5 1 JKBF O=c1cc(-c2ccccc2)oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc12 1911572268 SDPCMBLOAYWNPA-UHFFFAOYSA-N 490.415 5.188 5 1 JKBF OC(c1ccc(F)cc1)(c1ccc(F)cc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2 35881741 BJJZYNDPAXEVFA-UHFFFAOYSA-N 464.576 5.418 5 1 JKBF CCN(C)c1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174936 MFVIGHHALSFWQC-UHFFFAOYSA-N 477.546 5.316 5 1 JKBF Cc1cc2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc2cc1[N+](=O)[O-] 587012687 FJDFYEGBZKYBBR-UHFFFAOYSA-N 460.946 6.814 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)cc2)nc1C(F)(F)F 587118776 PWHZJECBOBJSPC-UHFFFAOYSA-N 495.486 6.553 5 1 JKBF CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621244 QWPYALDWQNAVJK-UHFFFAOYSA-N 496.501 5.023 5 1 JKBF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 587625863 NQYQOBUZYQUJPB-UHFFFAOYSA-N 465.737 6.328 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc([N+](=O)[O-])c2)N1 587675881 BCEQFFQTCAEJQU-XYZCENFISA-N 458.125 5.057 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@@H](c1ccc(C)cc1)C1=C(COC1=O)N3 1772657235 FBJNZYVYBXMIOJ-AREMUKBSSA-N 497.547 5.704 5 1 JKBF COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1ccc4c(oc(=O)c5ccccc54)c1C)[C@@H](C2)C3=O 587450775 GHZDGPKHNPLWOQ-CIGXMFOWSA-N 456.494 5.237 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c1)CC2=O 587460071 FNWGZZCWVVKPJH-QHCPKHFHSA-N 453.878 6.405 5 1 JKBF CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568099 KVMRBCDWPSPBKK-IGKIAQTJSA-N 486.455 5.387 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)N1 587723540 AZJYKEWWHMRNKO-SAHAZLINSA-N 493.279 6.191 5 1 JKBF O=[N+]([O-])c1ccc([C@]2(c3ccccc3Cl)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962703789 NRYMPDNFBPULDV-UQBPGWFLSA-N 468.981 6.043 5 1 JKBF O=[N+]([O-])c1ccc(C=Cc2cccc(C=Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 2356862648 JUZPPVPZHHLCTG-UHFFFAOYSA-N 462.374 5.660 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc([N+](=O)[O-])cc1 82148872 TXYLNFVBLXPDBQ-UHFFFAOYSA-N 473.577 5.259 5 1 JKBF O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1cc(F)cc(C(F)(F)F)c1 96269781 ZJWOUSIEGRLZGU-UHFFFAOYSA-N 492.432 6.230 5 1 JKBF O=[N+]([O-])c1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 103215861 BUNLUGGFABLCBS-DEOSSOPVSA-N 483.440 5.920 5 1 JKBF COC(=O)c1ccc(Oc2ccc3nc(-c4ccccc4Cn4nc(C)c([N+](=O)[O-])c4C)[nH]c3c2)cc1 587267842 SHGYHUDUEOFIAC-UHFFFAOYSA-N 497.511 5.579 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 587574217 DTBMRQGYSIWJQQ-BVAGGSTKSA-N 484.420 5.114 5 1 JKBF c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\C2CCCCCC2)cc1 27635813 YXXBMSSXWGCJGC-PJJLUWSFSA-N 458.609 7.497 5 1 JKBF COc1cccc(Nc2cncc(-c3cc4c(cnc5cc(OC)c(OC)cc54)c(N)n3)c2)c1 45260009 WSQRQAZEPACXCT-UHFFFAOYSA-N 453.502 5.197 5 1 JKBF O=C1[C@H](Cc2ccccc2)N=C(C2CCCCC2)c2ccccc2N1Cc1cccc([N+](=O)[O-])c1 66073605 SUUQZBULEJUYAF-SANMLTNESA-N 467.569 6.122 5 1 JKBF CCN(Cc1ccccc1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82150330 GWVOVTQHTLUWPZ-WOJBJXKFSA-N 473.577 5.196 5 1 JKBF COP(=O)(OC)[C@H](OC(=O)COc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 103205066 YTDRYJUOPMPXAZ-KRWDZBQOSA-N 464.194 5.008 5 1 JKBF O=[N+]([O-])c1cccc([C@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)c1 195440156 DIFMRIZVFMWUOY-YDEMYLEWSA-N 467.569 6.241 5 1 JKBF CC(C)CCOc1ccc(Br)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 586981326 HWWNHWHUHATSCQ-UHFFFAOYSA-N 461.363 6.514 5 1 JKBF Cc1onc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080719 XVIABYRZEHUAFL-UHFFFAOYSA-N 491.920 5.609 5 1 JKBF O=S(=O)(N[C@@H](c1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(F)cc1 587170443 CFHUWBOPNDOMJI-VWLOTQADSA-N 481.552 6.076 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccc3c(oc(=O)c4ccccc43)c1C)CC2=O 587485737 JTYDRHSXQWNLPZ-CQGGRAHPSA-N 472.537 6.104 5 1 JKBF Cc1c(F)c([N+](=O)[O-])cc(C(=O)Nc2cc(-c3ccccc3)ccc2N2CCN(C)CC2)c1Cl 653872534 WOMZPTLUOWHXDN-UHFFFAOYSA-N 482.943 5.367 5 1 JKBF CCCC(O)(CCC)[C@H](Cc1cn(CC)c2ccccc12)NCc1c2ccccc2cc2ccccc12 71329534 UGVBLROXCDTTEN-XIFFEERXSA-N 492.707 8.000 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(NCC4CC4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 82163560 GEZPMCOAVDSISK-UHFFFAOYSA-N 459.531 5.673 5 1 JKBF Cc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)cc1 104033873 KMMQVDYUERHVRQ-CBZJRKILSA-N 469.497 6.261 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)cc(Cl)c2c2cc(SC)ccc12 169338570 QWMCLQKIFXXIDH-DEOSSOPVSA-N 464.502 7.957 5 1 JKBF O=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)s1 473153109 YSHPCFMDAQOPSD-UHFFFAOYSA-N 480.523 5.061 5 1 JKBF CC[C@H]1OCCC[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586912691 OTBASCFBUPILKP-FDDCHVKYSA-N 484.508 5.518 5 1 JKBF O=[N+]([O-])c1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1Cl 587017877 QJCAZPHXPRMEDG-UHFFFAOYSA-N 455.746 5.663 5 1 JKBF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587140063 ATSLFVCQRBUOBM-HSZRJFAPSA-N 496.007 6.728 5 1 JKBF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)[C@H]1c1ccc(F)cc1 587328405 UJCLOBHLRJDGAL-AHKZPQOWSA-N 489.886 6.396 5 1 JKBF CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cccc([N+](=O)[O-])c21 587511755 ILAOJAVWUWBEMX-QFIPXVFZSA-N 462.502 5.918 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c([N+](=O)[O-])c2)N1 587680108 SIYICMMEGRWXDG-HUTHGQBESA-N 458.125 5.057 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 587737566 XYTQIYXJMLXWTQ-VERVWZFWSA-N 493.735 6.115 5 1 JKBF CCN(CC)c1ccc2nc3c4ccccc4/c(=N/c4nc5ccc(OC)cc5s4)cc-3oc2c1 71340351 PBSUNDYMTOHZNS-UQRQXUALSA-N 480.593 6.783 5 1 JKBF CCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163414 GQFNIVGUZAKHNS-UHFFFAOYSA-N 461.547 6.063 5 1 JKBF Cc1cc(C)cc(-c2c(OCC[C@@H]3CCC[C@@H](C)N3)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 169728539 RYBUHQOIEPFMAP-AEFFLSMTSA-N 469.969 5.673 5 1 JKBF C[C@]12C3=CC=C1C=C(C1=CC4=CC=C5C=CC=C6C=CC(=C1)[C@]6(C)[C@]54C)C=C1C=CC(=CC=C3)[C@]12C 504728131 RYWSNCXNRIKLDP-ACYSOYCRSA-N 462.636 8.609 5 1 JKBF biogenic Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1 586879166 LAPRKGISTDYWQT-UHFFFAOYSA-N 452.264 5.574 5 1 JKBF Cc1c(-c2nc3cc(Br)c(Br)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980002 MERQEBRHIHIHNX-UHFFFAOYSA-N 489.949 5.734 5 1 JKBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1cccc(Cl)c1 587070383 GOVZZKDIOBSYQR-IBGZPJMESA-N 473.964 6.121 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587110183 OQGPUAOBSORUOP-UHFFFAOYSA-N 468.151 5.862 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 587573364 BIKXDSYBOBVBHX-WNJJXGMVSA-N 492.487 6.006 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 587748241 SVDBTRILGWWHJA-YDZGXFTCSA-N 478.318 5.492 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc([C@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN34)cc2)cc1 962638398 KVVCQBRIHFXMEU-VIZCGCQYSA-N 477.564 6.223 5 1 JKBF CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)ccc([N+](=O)[O-])c3Cl)noc2C)cc1 1857541989 AYUOYQQVVCEVBB-UHFFFAOYSA-N 463.321 5.964 5 1 JKBF Cc1cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@H]2CCCCN2)cc([C@@H](C)O)c1 29465065 JALKFUONYGFTTA-CRAIPNDOSA-N 485.968 5.442 5 1 JKBF CCc1ccccc1-n1c([C@@H](C)N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 35090258 FOUHEXSQWAAWND-LRXXLLMYSA-N 482.540 5.089 5 1 JKBF COc1cc2cc(C(=O)[C@@H]3CCC[N+](C)(Cc4ccc([N+](=O)[O-])o4)CC3)sc2cc1OC 36286931 KFZOWBNTEIELDM-FXBVVIMESA-N 459.544 5.049 5 1 JKBF O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccccc1)c1c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c1N2 40953668 OSESOAXWBBLIST-LJQANCHMSA-N 494.536 5.431 5 1 JKBF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N+](C)(CCc4ccccc4)[C@H]2N3C)cc1 53246864 QAOKOBSRMLDYEY-OPDKHMKMSA-O 484.664 6.548 5 1 JKBF COc1ccc(-c2nnc(-c3ccc4nc(CCOc5cc(C)ccc5[N+](=O)[O-])[nH]c4c3)o2)cc1 587262867 ZWAVZXJEAIJWGU-UHFFFAOYSA-N 471.473 5.127 5 1 JKBF CCCCOc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1Br 587268771 DWZRKSSLWGHETF-UHFFFAOYSA-N 459.344 5.680 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3cccc(C(=O)OC)c3)c([N+](=O)[O-])c1)CC2=O 587473367 SSTJGTYSBLDWDM-DEOSSOPVSA-N 477.469 5.538 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 587545026 GAGSXBDAEGKPLZ-RDGATRHJSA-N 493.855 5.829 5 1 JKBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587610616 DADHTHGUZYHQRW-SHQCIBLASA-N 485.517 6.463 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 587746327 JNLYSRDZCUSGQM-NPMXOYFQSA-N 455.327 5.517 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)N1 587843164 HFSSSXPZUVTWHI-PSLXWICFSA-N 487.394 6.412 5 1 JKBF O=[N+]([O-])c1cc2c(OCC[C@H]3CCCCN3)c(-c3ccc4ccccc4c3)c(O)nc2cc1Cl 29411203 HYDMAFBYHFZUPZ-LJQANCHMSA-N 477.948 6.233 5 1 JKBF CCCCn1c(=O)c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)c(OC)c(OC)c21 71317305 PQNCNIIKDBBUCV-UHFFFAOYSA-N 477.401 5.284 5 1 JKBF Cc1nc2ccccc2c2nc(Oc3ccc4c(c3)OCO4)n(-c3ccc(Cl)cc3)c(=O)c12 82150773 ZMOMNKKYBVKDLZ-UHFFFAOYSA-N 457.873 5.417 5 1 JKBF COc1ccc2c(c1OC)C[N@+]1(Cc3ccc(Cl)cc3)CCc3cc4c(cc3[C@@H]1C2)OCO4 257833123 JFHJIDRQICNTGZ-MUAVYFROSA-N 464.969 5.456 5 1 JKBF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1nccn1Cc1ccccc1[N+](=O)[O-])CC2=O 587472580 KIZOMJVMRBOYJR-GDLZYMKVSA-N 497.551 5.715 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 587712122 NYYKITVYHPAEEL-MLCYQJTMSA-N 461.253 5.507 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587735517 QDNFNKAKQZTLQI-ZAMGYDSWSA-N 489.316 5.838 5 1 JKBF Cc1cc(OCc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1[N+](=O)[O-] 587746090 IZYDFOHAVSHFIM-DMZKTXOQSA-N 475.314 5.600 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)N1 587857489 QTFVOLRDIFMQCM-JEOXALJRSA-N 487.354 5.496 5 1 JKBF COc1cc2c(cc1CC=C(C)C)C(=O)C[C@@H](c1ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc1)O2 1857634020 LIWUKYBQZUOKDO-SANMLTNESA-N 487.508 6.038 5 1 JKBF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 586945218 DFIFOQBSVSPKLG-GOSISDBHSA-N 471.582 5.302 5 1 JKBF Cc1cc2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] 586995273 DTBOTLAXNHEPNG-MRXNPFEDSA-N 489.370 5.221 5 1 JKBF CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587073699 NFARBKVQJJTTJE-QHCPKHFHSA-N 474.920 5.733 5 1 JKBF O=C(O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c([N+](=O)[O-])c2)cc1F 587507791 SXABKVASMLPXNM-XMMPIXPASA-N 461.445 5.684 5 1 JKBF COC(=O)c1ccc(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])cc1 587512499 YIMOAMBGUKGPKD-VWLOTQADSA-N 473.481 5.759 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 587579082 YGJSVJPPWBRKCC-UHSQPCAPSA-N 481.504 6.180 5 1 JKBF CN(C(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1 82135183 JIJBJFWYBYYCBE-UHFFFAOYSA-N 451.571 5.449 5 1 JKBF Cc1cc(Cl)cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 587035817 UFOUQMYAWUKVIN-UHFFFAOYSA-N 452.948 6.861 5 1 JKBF Cc1ccc2oc3nc(C)c(-c4cc5c6c(cccc6n4)C(=O)c4ccccc4-5)cc3c(=O)c2c1 587108049 XTQMMULXCBSSOQ-UHFFFAOYSA-N 454.485 6.385 5 1 JKBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587266801 OZNHAWIZOCUEJG-QKVFXAPYSA-N 490.501 5.190 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1)O2 587408429 GJJLSCJIUKMYDL-NRFANRHFSA-N 454.935 6.138 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cccc(F)c3)c2c1 587619226 CQGWWHPLPZXMFV-UHFFFAOYSA-N 455.467 5.000 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587735515 QDNFNKAKQZTLQI-JCQPUDPBSA-N 489.316 5.838 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 587751648 NJERSSYZSCAZNX-QHGZJZKPSA-N 467.338 5.988 5 1 JKBF CC[C@H](C)NC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 82135590 PIBKUDJMHYOFKR-AWEZNQCLSA-N 473.455 5.211 5 1 JKBF Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163577 MFKDXFKVMJBJAT-UHFFFAOYSA-N 473.602 6.702 5 1 JKBF Cc1oc(-c2cnc(NCc3ccccc3F)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163819 CIUGJXYXYHKBHU-UHFFFAOYSA-N 481.487 6.433 5 1 JKBF O[C@H](C[C@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2cc(Br)ccc12 169338904 GJNBOZXUYBQNPG-SPLOXXLWSA-N 453.207 6.628 5 1 JKBF CCOC(=O)c1nc(Nc2cc(Oc3ccccc3CC)cc([N+](=O)[O-])c2)c2ccccc2n1 299820716 DNSWELOLXLINHY-UHFFFAOYSA-N 458.474 5.813 5 1 JKBF COC(=O)c1cc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c(F)c1Nc1ccccc1 586979591 GGRRPWSCUWMRCM-UHFFFAOYSA-N 499.296 5.878 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)cc1 587271701 FZXUMLJSEMMINS-UHFFFAOYSA-N 450.323 5.980 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc13)CC2=O 587469401 DPBOLXFAILBAMR-JOCHJYFZSA-N 466.490 5.697 5 1 JKBF CCCCN(CCCC)c1ccc(-c2nn(-c3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587663513 IMNIGMCBVNAWNN-UHFFFAOYSA-N 486.572 6.073 5 1 JKBF CCc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 775974 HICZGWMKUURQKU-UHFFFAOYSA-N 481.549 5.099 5 1 JKBF Brc1ccc(-c2nc(Cc3nc4c5cccnc5c5ncccc5c4[nH]3)cs2)s1 587020129 XZECDNLHFJHOPJ-UHFFFAOYSA-N 478.400 6.198 5 1 JKBF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587035010 RXNPDOOOCKQSBN-ZDUSSCGKSA-N 473.352 5.720 5 1 JKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)o1 587266371 ZUEFCSHFCWLEHL-UHFFFAOYSA-N 452.186 6.179 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c1)CC2=O 587471462 RAOLXKKVAKFAJS-DEOSSOPVSA-N 463.486 5.547 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2[N+](=O)[O-])(c2ccccc2)N1 587746404 JUOAVLQTKXLJNE-LNTNWRBDSA-N 467.338 5.988 5 1 JKBF COc1cc2cc(-c3nc4cc(C(=O)O)ccc4[nH]3)c3cc(OC)c(OC)cc3c2cc1OC 1857754630 PZJUXLKDALRQMH-UHFFFAOYSA-N 458.470 5.269 5 1 JKBF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 774736 ZOYZWWSUOHDMBS-YVEFUNNKSA-N 478.332 5.360 5 1 JKBF CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1[N+](=O)[O-])C[C@H]4OCC)O[C@H](C)CC3=O 29132863 QOLVZALCPIGQFF-VOBQZIQPSA-N 493.512 5.609 5 1 JKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1 72175618 YAZZXGVJQHSLFS-UHFFFAOYSA-N 489.431 5.755 5 1 JKBF COc1ccccc1CCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134896 JFLQRDRBJKVSJA-WZONZLPQSA-N 489.576 5.024 5 1 JKBF CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(O)CC(C)(C)CC2=N1 104081471 PJSAYKIKTJXPGM-QFIPXVFZSA-N 480.952 6.035 5 1 JKBF COc1c(O)cc2oc3c(C/C=C(/C)CO)c(O)cc(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C 195803423 OCKLFXKYZPPEFU-XXGRXQMWSA-N 494.584 5.788 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 587752683 SXLGZYUMRZLLSQ-QKFKETGDSA-N 471.326 5.699 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(ccc4ccccc43)oc2=O)N1 587838127 AKVNQWHHAFDAHP-RZFZLAGVSA-N 452.323 5.646 5 1 JKBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1 587863125 RGVIUEPNDQPQFS-UHFFFAOYSA-N 497.429 5.753 5 1 JKBF CC1(C)CCC(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC1 587960797 BYZKSXOAYPTXJV-UHFFFAOYSA-N 496.563 6.604 5 1 JKBF Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCCCC4)cc3)c21 28525325 OQUMCAVRSPBTOY-UHFFFAOYSA-N 472.610 6.333 5 1 JKBF Cc1oc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174647 GWWAHKCRNINHAK-UHFFFAOYSA-N 495.514 6.476 5 1 JKBF O=C(Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)OCC[C@H]1CCn2cc([N+](=O)[O-])nc2O1 473105304 RWIIHKJBEBJNPA-QGZVFWFLSA-N 492.410 5.147 5 1 JKBF CC(C)n1c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc(Br)c1Br 587005258 PXOAUUBLABCICD-UHFFFAOYSA-N 483.207 7.444 5 1 JKBF Clc1ccc(CC/C(=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc2)cc1 587073547 KPXXVNNEQBBGBI-PGMHBOJBSA-N 460.968 7.486 5 1 JKBF Cn1nc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587130662 NPLFRNLYCHVPSW-UHFFFAOYSA-N 470.823 5.342 5 1 JKBF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12 587139331 HNXRJUDVPBCBBE-UHFFFAOYSA-N 496.779 6.341 5 1 JKBF Nc1c([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)oc2cc([N+](=O)[O-])ccc12 587500645 MSPRBZLWZIUWBB-MHZLTWQESA-N 488.927 6.364 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc([N+](=O)[O-])cc2)nc2sccn12 587616736 GHKYIXMTYAXVRC-CYFREDJKSA-N 485.477 5.380 5 1 JKBF CCn1cc([N+](=O)[O-])cc1[C@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587684542 RGQGLWWKYXTKFU-XXFAHNHDSA-N 499.595 5.466 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2F)N1 587728845 TZLGKZXJSXSCJF-IPQOISQHSA-N 474.305 5.044 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)N1 587754338 YCVRHCSVNRQNFH-XUSGNXJCSA-N 461.287 5.292 5 1 JKBF COc1cccc(N=c2[nH]c(-c3cccnc3)nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc23)c1 1857630149 HRKMLIPHCMDNJP-UHFFFAOYSA-N 492.495 5.026 5 1 JKBF CCN(Cc1ccccc1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136105 PHFYBTBZCBQJKP-WOJBJXKFSA-N 473.577 5.196 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587054505 LKMSIQRJDAVHNZ-JOCHJYFZSA-N 474.908 5.348 5 1 JKBF Cc1c(OC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc2c1oc(=O)c1ccccc12 587608813 MASZZEIFOIUTOD-FYBSXPHGSA-N 494.499 5.760 5 1 JKBF CCn1cc([N+](=O)[O-])cc1[C@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 587684540 RGQGLWWKYXTKFU-JDNHERCYSA-N 499.595 5.466 5 1 JKBF COc1ccc(-c2ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c(O)c2)cc1OC 587925534 BBCAJAAQRJUMKQ-UHFFFAOYSA-N 470.279 5.290 5 1 JKBF CN(c1ccccc1)c1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cc1[N+](=O)[O-] 962716208 WIAPVOKUIBJMLK-KNQAVFIVSA-N 489.425 5.209 5 1 JKBF O=C([C@@H]1Cc2ccccc2[C@@]2(CCCC(Nc3ccc([N+](=O)[O-])cc3)=C2Cl)N1)C(F)(F)F 962727800 AXVBIMMTCPLFAN-GHTZIAJQSA-N 465.859 5.182 5 1 JKBF COc1cc(O)cc2c1-c1ccc(Oc3c(O)cc(OC)c4c3ccc3cc(O)ccc34)cc1CC2 13378522 FDWCJAPUGMZZCS-UHFFFAOYSA-N 480.516 6.685 5 1 JKBF biogenic CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc([N+](=O)[O-])cc2)cc1 28456016 QVBAYKRYPXSOOL-WMPKNSHKSA-N 471.557 5.566 5 1 JKBF OC(c1cccc(F)c1)(c1cccc(F)c1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2 35986173 NXEIBRLYQIMVDT-UHFFFAOYSA-N 464.576 5.418 5 1 JKBF Cc1cc([N+](=O)[O-])cc(C)c1OCCCCCCCCCCN1C(=O)c2ccccc2C1=O 58649795 YHHIPMIGPAMYNI-UHFFFAOYSA-N 452.551 6.007 5 1 JKBF O=C(NCC1CCCCC1)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1 82216966 NXZCIJKGGSPODF-UHFFFAOYSA-N 479.968 5.627 5 1 JKBF O=[N+]([O-])c1cc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2cc1F 587010778 CECUTEHPODERDM-UHFFFAOYSA-N 464.909 6.645 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)ccc1Sc1nc2ccccc2s1 587034925 JTRHUFOAKMGJRI-UHFFFAOYSA-N 474.354 6.601 5 1 JKBF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587059247 VOIDMPMPAISOTQ-LLVKDONJSA-N 478.719 7.364 5 1 JKBF Nc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587341263 YDPBWJVUEGJGMN-AHKZPQOWSA-N 470.456 5.324 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 587697657 OQWWYYIWAMXALE-AMXDTQDGSA-N 491.744 6.566 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)N1 587705174 XECYDILJJMTONH-IPQOISQHSA-N 491.744 6.566 5 1 JKBF COc1cc2c(cc1OC)[C@@](C)(COc1ccc3c(c1)oc(=O)c1ccccc13)N(C)[C@H](C)C2 962568922 LRGLPFKUHOLQDC-JYRCXFKTSA-N 459.542 5.134 5 1 JKBF CC(C)(C)NC(=O)c1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2ccccc2[N+](=O)[O-])cc1 1911581709 WWXDTZJLFRRACL-OBGWFSINSA-N 471.557 5.365 5 1 JKBF CN1c2ccc(OC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2[C@]2(C)CCN(CCc3ccccc3)[C@H]12 49089427 VOSDFYYUBRRDPZ-BDYUSTAISA-N 472.545 5.188 5 1 JKBF COc1ccccc1CNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163829 CXVNWKRWXWVXNX-UHFFFAOYSA-N 493.523 6.303 5 1 JKBF CC(=O)N1N=C(c2ccc(Nc3cc(=O)oc4ccccc34)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 103177312 NALNUSZYGBSUNL-XMMPIXPASA-N 468.469 5.142 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2cc(S(C)(=O)=O)ccc2c2c(Cl)c(Cl)ccc12 169331483 UCCMEMFCQHSPSE-HSZRJFAPSA-N 496.500 6.639 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2cccc(Br)c2c2cc(C(F)(F)F)ccc12 169339349 FZLWCIUGDPRHJK-QHCPKHFHSA-N 496.411 7.710 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 587614645 UADOCGAEBZXKLJ-ZEQKJWHPSA-N 471.490 6.155 5 1 JKBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(Br)cc1[N+](=O)[O-] 587864564 PALGBYSIPHAOFO-UHFFFAOYSA-N 457.206 5.023 5 1 JKBF C[C@H](COc1cccc([N+](=O)[O-])c1)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 198905693 CTDFIBIHOSZTDM-QFIPXVFZSA-N 460.574 5.258 5 3 JKBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCOc1ccccc1 4216190 BYDVRFLSASKNRC-GOTSBHOMSA-N 473.957 5.457 5 1 JKBF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587091761 OOFGPLRTPKZECG-UHFFFAOYSA-N 461.365 6.891 5 1 JKBF C[C@H](CC(=O)O)[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325005 BNDWGQYOJOAUEL-KUBUTDKVSA-N 499.878 5.458 5 1 JKBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587645103 VJUQXWFEMRBMLJ-XZOQPEGZSA-N 460.873 5.588 5 1 JKBF CCn1cc([N+](=O)[O-])cc1[C@@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587684538 RGQGLWWKYXTKFU-FVMDXXJSSA-N 499.595 5.466 5 1 JKBF Cc1cc(OCc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)ccc1[N+](=O)[O-] 587748202 SQGCAQGFGDWMBV-DMZKTXOQSA-N 475.314 5.600 5 1 JKBF O=[N+]([O-])c1ccccc1NC1=C[C@]2(CCC1)NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963819404 WTAFGJWKZVIUBW-LJAQVGFWSA-N 480.568 6.176 5 1 JKBF COC(=O)c1cccc2nc3c([C@@H](C)Oc4ccc5nc6ccccc6nc5c4)cccc3nc12 13911005 UMCSSUSEJCLNON-MRXNPFEDSA-N 460.493 5.806 5 1 JKBF biogenic CCCC/C=C\CCCCCCCCCCOC[C@@H](O)CO[P@@](=O)(O)OCC[N+](C)(C)C 38791448 CSVZQGDLAXUFQD-XXXZYALBSA-O 480.647 5.461 5 1 JKBF CC1CCN(c2ncc(C(=O)N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 105175436 HCFBYGDUSWGKSO-UJFGGOPNSA-N 477.609 5.089 5 1 JKBF Cc1ccc(C[N+](C)(C)CCOc2c(Br)cc(Br)cc2Br)o1 169318996 MJOJLQFFLNVCKB-UHFFFAOYSA-N 497.045 5.531 5 1 JKBF O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc([N+](=O)[O-])c(F)cc5[nH]4)(C3)C1)C2 587087608 MCHAENVKPMBSOW-VLQRZLKFSA-N 492.338 5.012 5 1 JKBF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2c1 587136848 OSLPDPARDJQMGN-UHFFFAOYSA-N 482.537 5.283 5 1 JKBF NC(=O)c1cc(N2CCC(c3nc4c5ccccc5c5ccccc5c4[nH]3)CC2)ccc1[N+](=O)[O-] 587262935 JBYNEQKZNOLYHI-UHFFFAOYSA-N 465.513 5.260 5 1 JKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3[nH]2)o1 587264199 DAILQEFILBKKMU-UHFFFAOYSA-N 494.916 5.852 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 587858152 YNRBAOGSMJPANE-UHFFFAOYSA-N 485.121 5.615 5 1 JKBF COc1cccc2cc3c(nc12)[C@](c1ccc(Cl)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)NCC3 963061899 ZFQOMUDYFNGGDH-VWLOTQADSA-N 480.351 5.896 5 1 JKBF COc1cc2cc(C(=O)[C@H]3CCC[N+](C)(CCOc4ccccc4)CC3)sc2cc1OC 28462365 RUKXDNCEYNEPKG-JDEXWRGDSA-N 454.612 5.427 5 1 JKBF CC(C)c1ccc2c(c1)c1cc(Br)ccc1c1nc(-c3c(F)cccc3Cl)[nH]c21 45317722 IFJAWEKHAKFJAP-UHFFFAOYSA-N 467.769 8.215 5 1 JKBF COc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(Cl)c(C)c1[N+](=O)[O-] 587328461 UPROCXWJXYKVSU-RDPSFJRHSA-N 471.868 5.684 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](CC(=O)Nc1ccccc1)(c1ccc([N+](=O)[O-])cc1)CC2=O 587468850 DXFKROUSYUPKNZ-SANMLTNESA-N 460.486 5.142 5 1 JKBF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C)c([N+](=O)[O-])c1C 587514365 XEXFAANPUMYJTJ-DEOSSOPVSA-N 461.518 5.050 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 587542367 IWMBOTUMDJBRIH-XUZZJYLKSA-N 463.829 5.917 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)N1 587735579 XWTSZACBRWKJJQ-FIKIJFGZSA-N 479.277 5.431 5 1 JKBF O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1-n1nc2cc1Oc1ccc(F)cc1-2 587875705 LBDCAUYDNPEOPN-UHFFFAOYSA-N 486.868 5.147 5 1 JKBF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2c3ccccc3cc3ccccc23)N1 963165269 BKPFLSZQUUAYNS-JTHBVZDNSA-N 455.863 6.354 5 1 JKBF COc1ccccc1CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2481950 XMBQOCQOMYOOBD-UHFFFAOYSA-N 498.322 6.162 5 1 JKBF Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cncs3)O2)c([N+](=O)[O-])c1 3777114 AEMOPCLSCUUOFI-IVWCHCLBSA-N 476.551 5.059 5 1 JKBF CC1(C)O[C@H](C(=O)N2CCCCC2)[C@H](C(=O)Nc2cc3c4ccccc4ccc3c3ccccc23)O1 6041710 BTAWMAVYABIPDI-SXOMAYOGSA-N 482.580 5.617 5 1 JKBF CC1(C)C=Cc2c(c3ccccc3c3oc4c(c5c(c6ccccc64)OC(=O)C(C)(C)O5)c(=O)c23)O1 15265698 QQNSSTAUFFTLMQ-UHFFFAOYSA-N 478.500 6.513 5 1 JKBF biogenic CC(C)(CO)CO[C@@]1(c2ccc(Cl)cc2)c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1 66111920 IRPMFUWDEWHEJD-SANMLTNESA-N 480.948 5.140 5 1 JKBF COc1cc(OC)cc(-n2c(C)nc3c(-c4ccc(Cl)cc4)nc4ccccc4c3c2=O)c1 98082270 HIPRBHZDTSPKSR-UHFFFAOYSA-N 457.917 5.580 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)ccc2c2cc(C(F)(F)F)ccc12 169338990 KSZZEAUURKKEML-XMMPIXPASA-N 451.960 7.601 5 1 JKBF O=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)s1 473152908 XBKZICQHPOWSAK-UHFFFAOYSA-N 480.523 5.061 5 1 JKBF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc2ccc4cccc5ccc(c1CC3)c2c45 586991207 RKLRULROEZCNHA-UHFFFAOYSA-N 473.531 7.815 5 1 JKBF Clc1cccc(COc2ccc(/C=C/c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)c1 587071581 PKOWJSOCPCDEQO-SAPNQHFASA-N 460.964 8.272 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc([N+](=O)[O-])c1 587135805 OPTDMFWVTTVNCV-UHFFFAOYSA-N 462.225 6.293 5 1 JKBF COc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(Cl)c(C)c1[N+](=O)[O-] 587328459 UPROCXWJXYKVSU-HYBUGGRVSA-N 471.868 5.684 5 1 JKBF COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c([N+](=O)[O-])c1 587746053 IUFLYJBDQVCOCE-WSVYEEACSA-N 461.287 5.389 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 587751722 OGOWBBUHRWWEOS-AMXDTQDGSA-N 455.283 5.428 5 1 JKBF CC[C@H](C)CCCCC[C@@H](C(=O)OC)[C@@H](O)c1cccc2nc3c(C(=O)OC)cccc3nc12 2356644973 ZDFPHWFJRDWIPF-OYRDERLMSA-N 466.578 5.389 5 1 JKBF CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 13737281 REPLDDGMOISVCL-SANMLTNESA-N 474.605 6.494 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2c(Cl)c(Cl)ccc2c2cc(C(F)(F)F)ccc12 169339323 UXPYTYHHGXFFSL-HSZRJFAPSA-N 486.405 8.254 5 1 JKBF C[N@+]1(CCCCCCCCCCCCCCCC[N@+]2(C)CCC[C@H]2CO)CCC[C@H]1CO 253655909 MYAGCAOZYJKPQU-GCXHJFECSA-N 454.784 5.650 5 1 JKBF O=c1c2ccc(Cl)cc2sc2c(N3CCC(N4CCCCC4)CC3)nc3ccccc3c12 473165306 BAOMBDXLQWVRQE-UHFFFAOYSA-N 464.034 6.071 5 1 JKBF NC(=O)c1cc(N2CCC(c3nc4ccc(Sc5ccccc5)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263625 XIPPBMLSRJHKJJ-UHFFFAOYSA-N 473.558 5.105 5 1 JKBF C[C@@]1(c2ccc(Br)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324461 ZKKOANIIJBILGI-IRLDBZIGSA-N 472.266 5.476 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)O2 587381101 FOXUSAFYHIIZQQ-HXUWFJFHSA-N 474.460 6.362 5 1 JKBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(Sc3ccccc3Cl)cc(Cl)cn12 1857574146 BDMBJBRJQPKEKV-UHFFFAOYSA-N 494.381 5.674 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 82135482 GSNVYJZSUCUDNW-UHFFFAOYSA-N 481.556 5.635 5 1 JKBF CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163680 SXZAIWPHBOTAOC-HDICACEKSA-N 463.582 6.230 5 1 JKBF Cc1ccc(-c2nc3sc(-c4ccc(Cl)cc4)nn3c2-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 299868413 ZWJIXPJVXSRSFI-UHFFFAOYSA-N 486.944 6.538 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2cc(F)ccc2[N+](=O)[O-])o1 587571394 NTCOLIUXWOVHHB-WIOPSUGQSA-N 477.400 5.314 5 1 JKBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(Br)cc1OCc1ccccc1 587939436 CSUYAFCHJROTCA-INIZCTEOSA-N 489.366 5.954 5 1 JKBF Cc1ccc(CCC[N+]23CCC(CC2)[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C3)cc1 1857620056 DEFCMXPRFHURNR-FYLLWHEGSA-N 470.633 5.016 5 1 JKBF C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82219932 PAYVTQXPRWVKBH-VGSWGCGISA-N 471.586 6.833 5 1 JKBF Cc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82221473 DVOBKTYNMVWNCO-UHFFFAOYSA-N 465.966 6.100 5 1 JKBF O=S(=O)(Cc1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccccc1 586921056 BJSNRPMVMWZSST-UHFFFAOYSA-N 450.523 5.300 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)cc(Br)c2[nH]1 587057461 WYXQBIRHJYPSCI-OAHLLOKOSA-N 486.153 5.668 5 1 JKBF Clc1cccc2c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc(-c3ccccc3)nc12 587082186 HRBFUVFHRRVIFX-UHFFFAOYSA-N 457.924 7.195 5 1 JKBF Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336373 TYIKSCQIKUXRQJ-AHKZPQOWSA-N 488.446 5.464 5 1 JKBF C[C@@]1(COc2ccc3c(c2)oc(=O)c2ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587361222 YEFRMLLKEFUCIQ-OFSOJUDTSA-N 496.490 5.988 5 1 JKBF O=C(Nc1ccc(OCc2c(Cl)cccc2Cl)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 653871495 BWEWHYJMGHFLRK-UHFFFAOYSA-N 490.730 6.868 5 1 JKBF O=c1c(-c2ccccc2Cl)coc2c1c(O)cc1occ(-c3ccccc3Cl)c(=O)c12 653895760 KCOLNJVYEBXVOZ-UHFFFAOYSA-N 451.261 6.246 5 1 JKBF CC1=C[C@H](CNCc2ccncc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2356841621 USTXJKCWEHNTSA-ZDXQCDESSA-N 461.566 5.227 5 1 JKBF COc1ccc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@H]2CCCCN2)cc1OC 29415914 DGQWBICSABLXJR-OAHLLOKOSA-N 487.940 5.097 5 1 JKBF Cc1cc(OCCCCCCCC[N+](C)(C)Cc2ccc([N+](=O)[O-])o2)c(C(C)C)cc1Cl 59717926 IOGUSKHHHQCUJV-UHFFFAOYSA-N 466.042 7.269 5 1 JKBF C[C@@H](Nc1ncnc2[nH]c(-c3ccc(OCCCCCC(=O)NO)cc3)cc12)c1ccccc1 138883974 CHPHUBQIYFZCCX-GOSISDBHSA-N 459.550 5.243 5 1 JKBF C[N@+]1(Cc2ccc(-c3ccccc3)cc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 254132925 QDCILXFPWMMNQY-UJPMWDSZSA-N 456.606 5.313 5 1 JKBF Brc1ccc(-c2ccc(/C=C\c3nc4c5cccnc5c5ncccc5c4[nH]3)o2)cc1 586997818 DZQITUVAORMEHH-BENRWUELSA-N 467.326 6.852 5 1 JKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587072663 ULVHMAKYYIXVBG-SYLKQSLASA-N 481.177 6.907 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)cc2)cc1 587271474 CJUCRQICWHYZQL-UHFFFAOYSA-N 494.223 6.592 5 1 JKBF COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1[N+](=O)[O-] 587573934 DPMBPMYCKDIUGL-SHQCIBLASA-N 497.459 5.457 5 1 JKBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1[N+](=O)[O-] 587575278 IMPOZXFSUAPDON-NAKRPHOHSA-N 499.475 5.591 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)N1 587745593 HYONOMPJQCEOAI-MCMMXHMISA-N 486.297 5.231 5 1 JKBF O=[N+]([O-])c1ccc([C@]2(c3ccccc3)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962628230 ADYYZZXZIFPKKO-MFMCTBQISA-N 461.565 5.634 5 1 JKBF COc1ccccc1CN(C)CCCCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1 1772607513 PXWUNVDXJMATIX-UHFFFAOYSA-N 477.626 6.200 5 1 JKBF C[C@@H]1C[C@]2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)C(=O)O1 73137793 DPNPWGOZTQVNEE-OLILMLBXSA-N 456.586 5.015 5 1 JKBF Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 82174123 NMLAAAAZLLKXHZ-UHFFFAOYSA-N 469.526 6.356 5 1 JKBF Cc1oc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163474 GNLCEEKJGKYMRB-GAJHUEQPSA-N 469.545 6.673 5 1 JKBF O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21 1772605266 OTPXSQUIWWJEOE-SWNSQTJRSA-N 456.562 5.155 5 1 JKBF COC(=O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C 2356507372 SLFLEAITCHGGJK-UHFFFAOYSA-N 472.713 9.418 5 1 JKBF CCN(CC)c1cc(C)c2nc3c4cc(OCCCC(=O)O)ccc4c(=O)cc-3sc2c1 29123238 UKHCUGXFOTUWJQ-UHFFFAOYSA-N 450.560 5.313 5 1 JKBF O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccccc1)c1c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c1N2 40953670 OSESOAXWBBLIST-IBGZPJMESA-N 494.536 5.431 5 1 JKBF C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccc(Cl)s3)CCC1CC2)(c1ccccc1)N1CCCCC1 73196085 KYZXOVOTLUIFDM-IPGWDNQVSA-N 488.117 5.498 5 1 JKBF CC1CCN(c2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82150080 GUZVQZNKNPKXDL-UHFFFAOYSA-N 499.493 5.237 5 1 JKBF COc1cc2ccc3c(CC[N+](C)(C)C)c(Br)c(OC)c(OC)c3c2cc1OC 103170570 OOLJYQLUDDXVQI-UHFFFAOYSA-N 463.392 5.039 5 1 JKBF O=[N+]([O-])c1cc(/C=C\c2nc3c(Br)ccc(Br)c3[nH]2)ccc1Cl 587047097 AYQBXOKJQLACGX-KXFIGUGUSA-N 457.509 5.820 5 1 JKBF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)nc2n1 587115333 UFUOWWNJPVWTDD-UHFFFAOYSA-N 450.446 5.245 5 1 JKBF FC(F)(F)c1nn(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)c(C2CC2)c1Cl 587118020 ZFDWVNIHJINLLS-UHFFFAOYSA-N 456.859 5.648 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 587576183 NFLMCZBXDFIEMI-LEAFIULHSA-N 493.475 5.277 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 587576225 NKGVUILASBSGRE-MOADCYBESA-N 476.441 5.267 5 1 JKBF CCOc1ccc([C@@H]2[C@H]3CNc4c(cccc4[N+](=O)[O-])C3=NN2c2ccccc2)c(OCC)c1 1772582533 SEMGGODFDIDCGU-HFZDXXHNSA-N 458.518 5.400 5 1 JKBF COc1cc2c(cc1OC1CCCC1)C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N=C2c1ccccc1 1857594213 IMTDJROOIAERSI-XMMPIXPASA-N 485.540 5.326 5 1 JKBF CCC1=C(C)c2cc3cc(C)c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)O)c5C)C(C)=C4)[nH]3 2356643184 KDTRVXFHZSCBJC-UHFFFAOYSA-N 466.585 6.850 5 1 JKBF CCc1cc(OCc2ccc3c(-c4nnn[nH]4)cc4ccccc4c(=O)c3c2)c2ccccc2n1 13742169 GDFGNZJGLCDDQX-UHFFFAOYSA-N 459.509 5.223 5 1 JKBF Cc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174498 AZWYYKQQVQJXLJ-UHFFFAOYSA-N 461.503 5.133 5 1 JKBF O=c1oc(-c2ccccc2)c(-c2cccc([N+](=O)[O-])c2)c2nn3c(-c4ccccc4)ccnc3c12 169324568 CMIWEBVFSQAWEY-UHFFFAOYSA-N 460.449 5.745 5 1 JKBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1C(=O)N([C@@H](C)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 299836265 MRJBXYPZFMIZOM-QMPCEUKMSA-N 450.579 6.085 5 1 JKBF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c5cccnc5c5ncccc5c4[nH]3)CC2)cc1 586954641 GQTJBSCICGQSGM-UHFFFAOYSA-N 485.613 5.351 5 1 JKBF Cc1cc2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc2cc1[N+](=O)[O-] 586965736 XFFQDQILVRPEML-UHFFFAOYSA-N 491.404 6.293 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)ccc1Sc1nc2ccccc2s1 587034431 FTMQZBCAIHNMFO-UHFFFAOYSA-N 474.354 6.601 5 1 JKBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326591 CNMCLGDEODPUOZ-NFBKMPQASA-N 457.841 5.376 5 1 JKBF COc1cc([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)ccc1OCc1ccc(C)cc1[N+](=O)[O-] 963611332 QWTUZYNWVGMHJD-CBZJRKILSA-N 478.545 5.132 5 1 JKBF CC(C)c1ccc2nc3ccc(C(=O)NCCCCCCCc4cccnc4)cn3c(=O)c2c1 29565981 ZLUDCDWWQGXASZ-UHFFFAOYSA-N 456.590 5.289 5 1 JKBF CC(C)(C)c1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163574 JIVJXFNSKYZWDP-UHFFFAOYSA-N 495.608 7.238 5 1 JKBF O=C(O)c1cccc(CN2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c3ccccc32)c1 96270371 XGMAFLGVQDFESM-HZHRSRAPSA-N 466.449 5.640 5 1 JKBF COc1ccccc1-c1nnc2c3c(sc4c(Br)cccc43)c(N3CCCCC3)nn12 103172090 ZEFBYDJJWXLOPW-UHFFFAOYSA-N 494.418 5.921 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 586969117 NLTDCEBKWQTXTI-UHFFFAOYSA-N 464.385 6.436 5 1 JKBF Cc1ccc2c3c(c(CCc4ccc([N+](=O)[O-])cc4)c(-c4ccccc4)nc13)-c1ccccc1C2=O 587096932 FGHRBPKWWWTTQB-UHFFFAOYSA-N 470.528 7.115 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc([N+](=O)[O-])c2)N1 587683733 WYXJVPZSQMAYAE-XLFHBGCDSA-N 458.125 5.057 5 1 JKBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(-c2cccs2)ccc1-c1cccs1 587943496 FMGDGAQZRQEYLE-UHFFFAOYSA-N 463.353 7.053 5 1 JKBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 4295451 FHYBJRAFQCRGEB-ZRBLBEILSA-N 473.957 5.112 5 1 JKBF O=C(Nc1ccc(Oc2ccc(-c3nccs3)cc2)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 49808395 LDUTYZKJUAKLBG-UHFFFAOYSA-N 466.906 6.808 5 1 JKBF O=c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)n1CCOc1ccccc1Cl 587063869 BBKODOZLGQVHNA-UHFFFAOYSA-N 467.916 5.220 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 587720532 SDAAUKHQIOVPHP-WHEQGISXSA-N 459.290 5.462 5 1 JKBF COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587747588 ORICZTNZEJIMEO-OWJWWREXSA-N 485.353 5.526 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2ccc3c(c2)oc(=O)c2ccccc23)N1 587838446 BKGJAAFHQBJBGU-SXBQZSJRSA-N 482.349 5.676 5 1 JKBF COc1ccc(Nc2ncnc3c2[C@H](c2ccc([N+](=O)[O-])cc2)c2c(ccc4ccccc24)O3)cc1 1772572125 PIGOPJAPUAFFOI-XMMPIXPASA-N 476.492 6.576 5 1 JKBF COc1cc2cc(C(=O)C[C@H](O)CCC3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC 36286845 SKWVLMXTRDHOMY-OCQNAOBNSA-N 482.666 5.689 5 1 JKBF CCCCn1c(=O)c2ccccc2c2c(OC)c(C(O)(C(F)(F)F)C(F)(F)F)cc(OC)c21 71296364 XKVLDWFYEAHZGK-UHFFFAOYSA-N 477.401 5.284 5 1 JKBF O=[N+]([O-])c1cccc(-c2nc(NCCc3ccccc3F)ncc2-c2ncc(-c3ccccc3)s2)c1 82163785 ADXZPZVBFUMJMQ-UHFFFAOYSA-N 497.555 6.636 5 1 JKBF COc1cc(OC)cc(-n2c(C)nc3c(-c4ccc(Cl)cc4)nc4ccc(OC)cc4c3c2=O)c1 98083717 PBUPMADGZRKEKS-UHFFFAOYSA-N 487.943 5.589 5 1 JKBF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@H]2CCCC[C@@H]21 586961088 PGTCYFNJNCIINM-PBXQCXKZSA-N 481.621 6.564 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 587013907 DQMIVIBDVRWSIA-UHFFFAOYSA-N 470.135 6.331 5 1 JKBF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2c1 587034929 KARXMGXXDNSOIH-UHFFFAOYSA-N 496.957 6.339 5 1 JKBF COCCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104783 IQFWVHAONXMGHS-HAHDFKILSA-N 480.476 5.085 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(C)c1[N+](=O)[O-] 587265578 QEGCECJABATCBW-UHFFFAOYSA-N 498.381 5.797 5 1 JKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)o1 587265696 SDRBKOIBRUKZGH-UHFFFAOYSA-N 452.186 6.179 5 1 JKBF CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431809 GWPMXOMPKJAVKU-KPURRNSFSA-N 499.519 6.089 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2cc2ccc3cccc4ccc1c2c34 587604316 SOZGJPUIMLHMKW-BZKUTMRRSA-N 482.535 7.483 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3ccc(F)c(F)c3)c2c1 587619989 NGHVWDFCKMCPQV-UHFFFAOYSA-N 487.484 5.063 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2[N+](=O)[O-])N1 587678187 JTTXDUSHLDLSKS-XLFHBGCDSA-N 458.125 5.057 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(C(=O)O)c3)cc2[N+](=O)[O-])N1 587745272 HDWUBVKZEXDEPE-IPQOISQHSA-N 485.309 5.485 5 1 JKBF Nc1c([C@@]2(c3ccc(Cl)cc3)c3c(F)cccc3C[C@H]3CCCN32)oc2cc([N+](=O)[O-])ccc12 963104044 GPXXLSAIEZZLRR-WXTAPIANSA-N 477.923 6.028 5 1 JKBF NC(=O)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccc(Br)cn3)c2)cc1 1857621495 OSYFJZOAXYTCDE-UHFFFAOYSA-N 475.302 5.247 5 1 JKBF O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)C=C(c1ccc(F)cc1)C[C@H]2c1ccc(Cl)cc1 96929723 DWUDXOYKLGWOFY-QFIPXVFZSA-N 461.880 5.943 5 1 JKBF COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OCc1ccc(F)cc1F 96937407 ZBOYFAILICMXHM-UHFFFAOYSA-N 472.467 5.584 5 1 JKBF O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1nc(C(F)(F)F)c(Cl)cc1Cl 103280332 PPGHFTPSNYJWST-UHFFFAOYSA-N 499.538 6.639 5 1 JKBF CC(C)(CNC(=O)Nc1ccccc1)CNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12 169348190 DCNCCAFELSIFTG-UHFFFAOYSA-N 471.992 6.783 5 1 JKBF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 586950244 SHAPGNMOGNOUIP-UHFFFAOYSA-N 465.538 5.436 5 1 JKBF Cc1ccc2oc3nc(C)c([C@]4(C)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)cc3c(=O)c2c1 587343528 CKPZBNZYPBNWLD-VIZCGCQYSA-N 495.506 6.077 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 587570825 MBSGKFHKAGXSJS-OZXSUGGESA-N 491.858 5.998 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Oc1ccc([N+](=O)[O-])cc12 587578269 VRCATTUVEOSZJE-JYFHCDHNSA-N 453.406 5.312 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587730415 FTVJOGOZCDBOII-DMZKTXOQSA-N 459.290 5.462 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 587748626 ASMRNHJCGRUWCH-DMZKTXOQSA-N 457.299 5.912 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)N1 587817642 MTAKGTRFTVXCGC-OFJJUDJNSA-N 484.412 7.600 5 1 JKBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccc(C)cc1[N+](=O)[O-] 587865740 HGUMVGOPAXEBLE-CQSZACIVSA-N 463.412 5.292 5 1 JKBF CC(=O)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])c4cccnc34)c(-c3ccc(C(C)=O)cc3)o2)cc1 1857756287 NZIHOXOAJADEQF-UHFFFAOYSA-N 476.488 7.142 5 1 JKBF O=[N+]([O-])c1ccc2oc(SCc3ccc(CSc4nc5cc([N+](=O)[O-])ccc5o4)cc3)nc2c1 45388539 TUVMIASESHGFDK-UHFFFAOYSA-N 494.510 6.370 5 1 JKBF C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C 82149635 SCNVGYZCBUQNPT-REIYTJMXSA-N 463.582 5.161 5 1 JKBF CC(C)(C)CC(C)(C)Nc1c(-c2c3ccccc3c(Cl)c3ccccc23)nc2ccccn12 95558747 KAFJFGXTSREWPL-UHFFFAOYSA-N 456.033 8.588 5 1 JKBF Nc1ccc(Sc2ccc3c4c(NCCCc5ccccc5)c(=O)nc-4c4cccc2c43)cc1 95594435 ZGHTVVBYVVYAHB-UHFFFAOYSA-N 461.590 6.507 5 1 JKBF O=C(N[C@H](c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1)OCC1c2ccccc2-c2ccccc21 587225923 ZFDHWSWSLIGIBH-HHHXNRCGSA-N 490.519 6.099 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(C)c2c1 587621038 MDWTTWZXGPGDRJ-UHFFFAOYSA-N 455.467 5.000 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 587843739 JBFDFWUKHSBFRP-LFVRLGFBSA-N 487.394 6.412 5 1 JKBF Cc1c(F)ccc(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2N2CCN(C)CC2)c1Cl 653913877 LGNBAVDYDKZVKP-UHFFFAOYSA-N 482.943 5.367 5 1 JKBF O=C1c2ccccc2CS[C@@]12ON=C(c1ccc(Cl)cc1)[C@H]2c1ccc([N+](=O)[O-])cc1 31909953 AUYAUUMMBWPIBH-NFBKMPQASA-N 450.903 5.592 5 1 JKBF CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccccc1[N+](=O)[O-] 40576320 KRYAKUJCJYRWSI-UHFFFAOYSA-N 490.603 7.488 5 1 JKBF CCN(Cc1ccccc1)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc([N+](=O)[O-])c1 82135984 IJXGVNPVRNPEAW-UHFFFAOYSA-N 471.517 5.228 5 1 JKBF Cc1ccc(C(=O)Nc2nnc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)s2)cc1 299826837 FDRDCFFBIUUJMW-UHFFFAOYSA-N 477.458 5.375 5 1 JKBF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587034219 DPGWZGCVEFIWKU-SFHVURJKSA-N 451.555 6.145 5 1 JKBF C[C@@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332613 RODHFNMJKMOGGJ-UPVQGACJSA-N 484.867 5.239 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccccc3[N+](=O)[O-])c1)CC2=O 587468744 DASUQICGIKFKRH-RUZDIDTESA-N 463.486 5.547 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 587550791 YNCHYTXORGPIID-ZEQKJWHPSA-N 489.867 6.449 5 1 JKBF O=[N+]([O-])c1ccc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c(Cl)c1Cl 962633400 LUGGMQWERJJVSF-HOYKHHGWSA-N 454.357 5.738 5 1 JKBF CCN(CC)CCCNc1c2cc(/C=C/c3ccc(SC)cc3)ccc2nc2c1[nH]c1ccccc12 1857640935 XSTGPNZPQDUAEQ-VAWYXSNFSA-N 494.708 7.905 5 1 JKBF CCC1=C(C)c2cc3[nH]c(cc4nc5c(c6cc(C)c(cc1n2)[nH]6)[C@H](C)CCC5=C4C)c(C)c3C 13458596 XCDMGOYLVCDXCA-OAHLLOKOSA-N 462.641 8.409 5 1 JKBF O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccc(C(F)(F)F)cc1F 96269782 ATLTVHRPWMFWKI-UHFFFAOYSA-N 492.432 6.230 5 1 JKBF Cc1ccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc([N+](=O)[O-])cc2)c(C)c1 100706025 UANVIBABCTYQKD-UHFFFAOYSA-N 499.552 5.487 5 1 JKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2ccc(Br)cc2c2cc(Br)ccc12 169339444 SMBARBYJPSQMOX-KKSFZXQISA-N 463.213 6.084 5 1 JKBF C[C@@]1(c2cc(Br)cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322646 NRWAAGABTYYJJO-UNMCSNQZSA-N 472.266 5.476 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Oc3ccc(C)cc3[N+](=O)[O-])n(C)c3ccccc13)O2 587390914 SJGRILFUSHNDRY-QHCPKHFHSA-N 457.486 5.784 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1nc3ccccc3s1)CC2=O 587495874 QEIKIFOKPQNOLE-OAQYLSRUSA-N 492.578 6.720 5 1 JKBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OCc1ccccc1 587507255 BLPVKDAOPGRXFG-XMMPIXPASA-N 459.498 5.768 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 587736815 XBZUQAULXRTCLT-IPQOISQHSA-N 491.357 6.410 5 1 JKBF Cc1ccc2oc3nc(C)c([C@]4(C)N[C@@H](C)Cc5ccc(F)c(Br)c54)cc3c(=O)c2c1 587778970 PNMCWOFBECUWNF-CANCMXDXSA-N 481.365 5.657 5 1 JKBF COc1ccc(CCNc2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82148440 WCJWRSYIHVAMQQ-MHECFPHRSA-N 489.576 5.024 5 1 JKBF CCOc1cc(C(=O)OCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OCC)c1OCC 84670770 LXHPZAKWOIYHOD-UHFFFAOYSA-N 455.463 5.408 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)cc(Cl)c2c2cc(Cl)ccc12 169337997 JPOUNGCMTRXTDM-HSZRJFAPSA-N 452.853 7.889 5 1 JKBF COc1cc2cc(C(=O)[C@H]3CCC[N@+](C)(CCOc4ccccc4)CC3)sc2cc1OC 261165397 RUKXDNCEYNEPKG-PPHZAIPVSA-N 454.612 5.427 5 1 JKBF Cc1cc(Br)c2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2c1 587117580 FPOAUYVSTYRGFD-UHFFFAOYSA-N 480.244 5.473 5 1 JKBF C[C@]1(c2cc(Br)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322624 NOFAXIXQWQSKEK-RBBKRZOGSA-N 472.266 5.476 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)[C@@H]1c1ccc(F)cc1 587354376 QKJJEAAWWYYYJC-CWTKIQHKSA-N 498.553 8.019 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3c(C(=O)OC)cccc3[N+](=O)[O-])cc1)CC2=O 587473326 RXDBNIIXJRJSRO-VWLOTQADSA-N 491.496 5.325 5 1 JKBF C[C@@]1(COc2ccc3c(c2)oc(=O)c2ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610594 PWCPJZDLSPJFMB-IRPSRAIASA-N 480.472 5.451 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)N1 587749514 YZANYFSOPUZZEF-WHEQGISXSA-N 486.297 5.231 5 1 JKBF Cc1ccc(CN2C(=O)C[C@@H](c3ccccc3Cl)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)cc1 653732507 KZVJIMDAGRZNMJ-GPUOULLFSA-N 450.922 5.257 5 1 JKBF O=C([C@H]1Cc2ccccc2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1)C(F)(F)F 962768836 RPSOVNYBYDTKQA-VQIMIIECSA-N 495.251 5.352 5 1 JKBF O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 1552953 ZUICJRIEMALFLN-HAMJSAHASA-N 455.622 6.072 5 1 JKBF CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82224944 VCRDUNZKJQOUFN-PMACEKPBSA-N 467.614 5.288 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1cccc([N+](=O)[O-])c1)CC2=O 587473152 QLIABYKBOSHJKO-RUZDIDTESA-N 469.497 5.812 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c2ccccc2c(Cl)c2ccccc12 587551661 IDSSEKNNPPXWRR-CUBQBAPOSA-N 452.893 7.055 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 587753718 WNMYBOXFQXIWIK-OZAJXLCCSA-N 496.336 5.651 5 1 JKBF CCCCNC[C@H](O)COc1cc(OCCc2cccc(Cl)c2)c2c(=O)c3ccccc3oc2c1 1772608710 YDNOUNIRBXSIOK-NRFANRHFSA-N 496.003 5.351 5 1 JKBF CN(C)CCCn1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(-c2ccc(Cl)cc2)n1 1772618406 BXBGXCIZMPFLTI-UHFFFAOYSA-N 481.991 5.795 5 1 JKBF CC(C)C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 36189678 ZFXRZGCZDCRDBC-RPVOLQBWSA-N 495.664 5.816 5 1 JKBF CC(C)=CCc1c(O)cc2oc3c(CC=C(C)C)c(O)c4c(c3c(=O)c2c1O)C[C@H](O)C(C)(C)O4 43079930 FSQCKCTZUMXJGJ-FQEVSTJZSA-N 480.557 5.155 5 1 JKBF biogenic COc1nc([N+](=O)[O-])cn1C[C@H](OCc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl 66098948 MHWMPOWVBJEGDR-KRWDZBQOSA-N 458.248 5.343 5 1 JKBF CCCC(O)(CCC)[C@H](Cc1cn(C)c2ccccc12)NCc1c2ccccc2cc2ccccc12 71296392 HNAPTHUMISPVLP-YTTGMZPUSA-N 478.680 7.517 5 1 JKBF CC(C)CC(=O)c1c(Nc2cc(Cl)cc(Cl)c2)nc2c(Cl)ccc([N+](=O)[O-])c2c1O 84604465 ASWFCXHSTVVYOB-UHFFFAOYSA-N 468.724 6.781 5 1 JKBF CC(C)(C)OC(=O)N1CCC[C@@H](CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84709781 WHJZJKQEPMGIJD-SFHVURJKSA-N 480.030 5.959 5 1 JKBF O[C@@H](C[C@H]1CCCCN1)c1cc2cc(Br)ccc2c2cc(C(F)(F)F)ccc12 169337787 LCNWRLAJHIEHCI-IERDGZPVSA-N 452.314 6.340 5 1 JKBF O=C(Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)s1)c1cccc([N+](=O)[O-])c1 299832212 SOAIOWIFTJNXDY-UHFFFAOYSA-N 463.431 5.066 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(OC(F)(F)F)c2[nH]1 587056651 SQRGNQOLUQKZRI-HNNXBMFYSA-N 456.808 5.150 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c1)CC2=O 587473458 VIPNQRJYSHKISK-RUZDIDTESA-N 491.496 5.230 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3[nH]1)(c1cccc([N+](=O)[O-])c1)CC2=O 587473487 WAFAGJYGOKYTSC-SANMLTNESA-N 457.486 5.233 5 1 JKBF O=C(c1cc([N+](=O)[O-])ccc1OCc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662003 WDJJOCFSWSXWOJ-UHFFFAOYSA-N 495.466 5.378 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587733455 LNRYASIBQMWCON-JCQPUDPBSA-N 489.316 5.838 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)N1 587735615 YENWAUGVZVNKRG-FIKIJFGZSA-N 479.277 5.431 5 1 JKBF O=[N+]([O-])c1ccc2nc(Nc3ccc(Cl)c(F)c3)c(Nc3ccc(Cl)c(F)c3)nc2c1 1857544267 PPJJTIOENSNUIY-UHFFFAOYSA-N 462.243 6.610 5 1 JKBF Clc1ccc(-n2c3c/c(=N\C4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1 95579089 PFSJHVUEJWRQSB-QCKNELIISA-N 481.987 6.002 5 1 JKBF Cc1cc2[nH]c(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2cc1[N+](=O)[O-] 586969946 BWVBXDZICAKGPX-UHFFFAOYSA-N 479.605 7.047 5 1 JKBF Cc1csc(SCc2ccc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)cc2)n1 587020806 YKSLTGOSJBCLOJ-UHFFFAOYSA-N 461.366 5.958 5 1 JKBF O=C(O)c1cc2[nH]c([C@H]3C[C@@H]3C(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587092253 BOZOZOQSUZLPEZ-IRXDYDNUSA-N 480.398 5.511 5 1 JKBF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2F)c1 587142808 FFFCYFKFVKMLEM-UHFFFAOYSA-N 476.689 6.369 5 1 JKBF Clc1cc(I)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587184423 SLZFRFXNUKDECQ-UHFFFAOYSA-N 456.674 5.584 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(F)cc2[N+](=O)[O-])N1 587713694 CUWZKLDMDKKNAV-HYORBCNSSA-N 462.088 5.022 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587732282 JJJAYWAJTXVIMW-DGCGYIPASA-N 485.328 6.127 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)N1 587752868 UCDSLSWTQFZNGU-WHEQGISXSA-N 481.325 5.435 5 1 JKBF O=[N+]([O-])c1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1Cl 587782478 LSFAAPCOGLCZMO-UHFFFAOYSA-N 469.928 6.961 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)N1 587842063 CZGOOCUCBXPHKJ-DMZKTXOQSA-N 479.415 6.545 5 1 JKBF COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 587932965 SPTAFWFCBQWAEZ-RBISFHTESA-N 477.605 6.676 5 1 JKBF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1cccn1-c1ccccc1[N+](=O)[O-] 963905691 ZTQOXUPVTZBJMM-CLOONOSVSA-N 491.544 5.420 5 1 JKBF CCN(CC)c1ccc(-c2cc(Cl)cn3c([N+](=O)[O-])c(CS(=O)(=O)c4ccccc4)nc23)cc1 1857656808 YYPXFLPAVNNFQK-UHFFFAOYSA-N 498.992 5.383 5 1 JKBF C[C@@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 4051537 HXYVSDQXRKCJSK-NZCIYTFRSA-N 467.884 5.357 5 1 JKBF O=c1[nH]nc2c3c(c(-c4ccc(Cl)cc4)nc4ccccc43)c(-c3ccccc3)c(-c3ccccc3)n12 103185465 QZCIHTXCSZPCOK-UHFFFAOYSA-N 498.973 7.378 5 1 JKBF COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)c([N+](=O)[O-])cc1OC 103994151 PGWMRILHWCLZQC-NRFANRHFSA-N 458.511 5.008 5 1 JKBF CCOc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc(Br)c1OC 586976781 BWWHYVGFUFGMLD-PLNGDYQASA-N 452.692 5.465 5 1 JKBF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12 587160055 DOSGGAVLKGCUFT-UHFFFAOYSA-N 462.334 5.687 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)CC2=O 587455861 GYTCQHYUFBWGJJ-OAQYLSRUSA-N 472.291 5.982 5 1 JKBF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(F)ccc1[N+](=O)[O-] 587506459 SWHMOWNYHGOQTP-RUZDIDTESA-N 477.488 5.907 5 1 JKBF CCN(CC)CCC[C@@H](C)Nc1cc(C=Cc2ccc([N+](=O)[O-])cc2)nc2cc(OC)ccc12 1857622407 LJBAIPFUPVEHGJ-HXUWFJFHSA-N 462.594 6.244 5 1 JKBF CC1(C)C=Cc2c(c3ccccc3c3oc4c(c(=O)c23)[C@H]2OC(C)(C)C(=O)O[C@H]2c2ccccc2-4)O1 2356663224 YUVPEGVEHZJQDJ-RRPNLBNLSA-N 480.516 6.245 5 1 JKBF O=c1c2c3ccccc3nc3c4ccccc4n(c(=O)c4c5ccccc5nc5c6ccccc6n1c54)c32 40972545 VSCKKHZCPFJCGI-UHFFFAOYSA-N 488.506 6.059 5 1 JKBF C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC(=O)O 96094932 CYPBWZKNUDFJJE-QATSOJGNSA-O 456.644 5.181 5 1 JKBF in-vitro Oc1ccc([C@H]2c3c(O)cc(O)c4c3c(cc3ccc(O)cc34)[C@@H]2c2cc(O)cc(O)c2)cc1 140922430 IOZHXVGEYABNFO-LOSJGSFVSA-N 452.462 5.504 5 1 JKBF COc1cc(Br)c([C@H](N)c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1OC 586976031 SAIMALZNGHXIGE-NRFANRHFSA-N 462.347 5.697 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)N1 587817637 MTAKGTRFTVXCGC-GUNSETOZSA-N 484.412 7.600 5 1 JKBF Cc1cc2c(cc1O)[C@](CCCCCC(=O)O)(c1cc3ccccc3c3ccccc13)N[C@H](C(=O)O)C2 963506811 GBYYGIXRSATMFT-JTSJOTPCSA-N 497.591 5.885 5 1 JKBF C[C@]1(c2ncc([N+](=O)[O-])cc2Br)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817796 QBGHCRJFQVCHIC-DEOSSOPVSA-N 493.361 5.222 5 1 JKBF CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774812 YZWJBCJPNUTUQP-GFCCVEGCSA-N 457.870 5.073 5 1 JKBF O=[N+]([O-])c1ccc(/C=C/S(=O)(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 26935621 IZXUUZALWPDAHH-FOCLMDBBSA-N 463.540 5.798 5 1 JKBF CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2cccc([N+](=O)[O-])c2C(=O)O)c1 27419885 WHYBIAYORHDUQP-UHFFFAOYSA-N 483.528 5.268 5 1 JKBF Cc1cc(C)c(-n2c(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])nc3cccnc32)c(C)c1 84739212 ULAHALWKFMCMFF-UHFFFAOYSA-N 461.547 5.293 5 1 JKBF Cc1ccc(C2=NN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)[C@@H](c3ccc(F)cc3)C2)s1 299871778 ZFRAGHJBHNMMTF-OAQYLSRUSA-N 464.547 6.583 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)N1 587743302 AJFCCIYYSWXUNY-QKVFXAPYSA-N 461.287 5.292 5 1 JKBF O=C([C@@H]1Cc2ccccc2[C@]2(CCCC(Nc3ccc([N+](=O)[O-])cc3)=C2Cl)N1)C(F)(F)F 962727802 AXVBIMMTCPLFAN-RXVVDRJESA-N 465.859 5.182 5 1 JKBF COc1cc(C(=O)c2cn(-c3cccc(C)c3)cc2-c2ccccc2[N+](=O)[O-])cc(OC)c1OC 1857561418 SNPOLYBPZRWGNO-UHFFFAOYSA-N 472.497 5.618 5 1 JKBF CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccc2c(=O)c3ccccc3oc2c1 1857652817 JXLJSSAKMXPXTE-QHCPKHFHSA-N 498.535 5.469 5 1 JKBF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 105175397 SUAWJGUVRZTZPA-CTYSVTFSSA-N 491.636 5.335 5 1 JKBF C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc21 209093579 BZWACBLCIHAEKY-UHFFFAOYSA-N 494.554 5.829 5 1 JKBF COc1cc(/C=C/c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1Br 586976324 IDLLHRVMVOLKCW-XVNBXDOJSA-N 453.090 5.175 5 1 JKBF COc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1Cl 587118959 SKYIQZTULBMLLB-UHFFFAOYSA-N 451.792 5.064 5 1 JKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 587269284 KUPUQSBKOSJWGV-UHFFFAOYSA-N 455.234 5.520 5 1 JKBF Cc1c([N+](=O)[O-])cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1[N+](=O)[O-] 587335363 LGZSXMNOVOQEBN-QPPBQGQZSA-N 466.421 5.239 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)CC2=O 587458566 AATGVVBNQCXUBA-SANMLTNESA-N 492.915 6.144 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)N1 587844741 MCDPRACEMIVLSK-WHEQGISXSA-N 473.367 6.271 5 1 JKBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2cc(C(C)=O)c([N+](=O)[O-])[nH]2)(C(Cl)(Cl)Cl)N1 962958906 VBTRXINITLLIJQ-WYRIXSBYSA-N 469.756 5.145 5 1 JKBF Cc1ccc(CCNc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82134934 GQMDQOAFZHWIPY-NTKDMRAZSA-N 473.577 5.323 5 1 JKBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135118 AUMBQIADWCOEDG-MOPGFXCFSA-N 465.598 5.695 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(NC[C@@H]4CCCO4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 82174480 PAGSJFFLSFOOLM-FQEVSTJZSA-N 489.557 5.442 5 1 JKBF CC(C)CN(CC(C)C)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82216989 ZRAQHZDIKGQQFQ-UHFFFAOYSA-N 453.587 5.551 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc12 169339495 NHDQSGWCRBMMDG-SSEXGKCCSA-N 461.734 8.524 5 1 JKBF O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3O)nc3cccc1c23 587103939 CHLBZLYDCOAWFV-UHFFFAOYSA-N 474.472 6.306 5 1 JKBF O=[N+]([O-])c1ccc(OCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1F 587150045 JSXLPTKHXBFXAO-UHFFFAOYSA-N 472.270 5.531 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccc(C)cc3[N+](=O)[O-])c1)CC2=O 587472311 GAQSAKIJWPYSQS-SANMLTNESA-N 477.513 5.855 5 1 JKBF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OC(=O)c1ccc([N+](=O)[O-])c(OC)c1)CC2=O 587473664 YVCDLPMEYSNLHJ-MHZLTWQESA-N 491.496 5.361 5 1 JKBF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 962967661 BSKQOYZHLBEXEK-RDPSFJRHSA-N 497.885 5.218 5 1 JKBF COC(=O)Cc1nc(Nc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)c2c(C)c(C)sc2n1 2910803 SZOVFAMOBVHGFD-UHFFFAOYSA-N 464.503 5.468 5 1 JKBF COc1ccc2c(ccc3c(-c4c(O)cc(OC)c5c4ccc4cc(O)ccc45)c(O)cc(OC)c32)c1 15274408 RAUMZOBPMPBWRG-UHFFFAOYSA-N 492.527 7.109 5 1 JKBF biogenic,in-vitro COc1ccc(/C=C/c2onc(C)c2-n2c(C)nc3nc4ccc(Cl)cc4cc3c2=O)cc1 84670052 CFTRAMKBVARCIR-IZZDOVSWSA-N 458.905 5.371 5 1 JKBF O=C1c2ccccc2[C@@](O[C@H]2CC[C@H](O)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 101405140 DUVWOXDCHCLFLA-OBTVHEKISA-N 492.959 5.425 5 1 JKBF O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(O)=C1[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)N2 104080785 LBUZVDDSNNCWTC-SANMLTNESA-N 483.480 5.790 5 1 JKBF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2F)c1 587143812 LGCTWWSJDLQHRU-UHFFFAOYSA-N 462.480 7.049 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(C(=O)O)c3)cc2[N+](=O)[O-])N1 587749535 ZCBQWQIDFBWMAF-IPQOISQHSA-N 485.309 5.485 5 1 JKBF C[N+](C)(C)CCO[P@](=O)(O)OCCCCC=C1CCCCCCCCCCCCCC1 29133998 AXXOBIUUAJJUAM-UHFFFAOYSA-O 460.660 7.398 5 1 JKBF CCCN(CCC)C[C@H](O)c1cc2ccc(Br)cc2c2cc(Br)ccc12 169337796 JCACSNKKHDSVLV-QFIPXVFZSA-N 479.256 6.673 5 1 JKBF COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3c2)cc1 587050475 QWZIGISAKSZZTI-JYOAFUTRSA-N 484.921 5.104 5 1 JKBF COc1ccc(Cl)c(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2F)c1 587142983 IZSQULMLMAYUTE-UHFFFAOYSA-N 452.916 8.004 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 587749487 YOOZARWYWZFCMY-LFPIHBKWSA-N 495.352 5.393 5 1 JKBF C[C@H](CSc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857539573 DRIROLZPSQLHTQ-SNVBAGLBSA-N 452.376 5.999 5 1 JKBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccccc1OC 4295292 JOUDVMWUERUDBX-DHIUTWEWSA-N 473.957 5.587 5 1 JKBF CCCCCOc1ccc(C[C@H](NC(=O)c2c3ccccc3nc3ccccc23)C(=O)O)cc1 27851548 XYHGGRIIHGTMBD-VWLOTQADSA-N 456.542 5.383 5 1 JKBF CC(C)(CO)CO[C@]1(c2ccc(Cl)cc2)c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1 66111919 IRPMFUWDEWHEJD-AREMUKBSSA-N 480.948 5.140 5 1 JKBF C[C@@H](O)c1ncc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)s1 587021460 IOJWCAYLINDJEN-LLVKDONJSA-N 499.504 5.022 5 1 JKBF COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccccc1[N+](=O)[O-] 587627916 MFDSBHFPXXKHIX-UHFFFAOYSA-N 460.286 5.131 5 1 JKBF Cc1cc(OCc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1[N+](=O)[O-] 587746097 IZYDFOHAVSHFIM-XMHCIUCPSA-N 475.314 5.600 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])C(C)(C)OC2(C)C 587747792 QCVKCGYIYPFPPO-OHDATSEOSA-N 489.385 5.897 5 1 JKBF CCN(CC)CCN=c1c2ccccc2n(C)c2c1oc1ccc(OCC[N+]3(C)CCCCC3)cc12 1772624902 DKSHOZVQOMPPJE-UHFFFAOYSA-N 489.684 5.330 5 1 JKBF CC1(C)C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc([N+](=O)[O-])cc1C(F)(F)F 1857597737 MQXIMHPTIAFQFK-UHFFFAOYSA-N 461.318 5.384 5 1 JKBF O=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 13489812 HOIHZGNFCAITAJ-UHFFFAOYSA-N 458.314 5.313 5 1 JKBF O=[N+]([O-])c1cn(C[C@H](OCc2ccc(Cl)cc2)c2ccc(F)cc2F)c(Br)n1 66079351 RNIXDRQOBHDZDS-INIZCTEOSA-N 472.673 5.444 5 1 JKBF CCC[P@](=O)(Oc1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1)OC(C)C 169342895 WQSBUARVLZGAFF-JGCGQSQUSA-N 456.439 6.202 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c4cccnc4c4ncccc4c3[nH]1)N2 587032952 WGMYUUIZECMVKR-YDRQLGOLSA-N 472.599 5.786 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587057974 YSUODFOXTQMLLT-QFIPXVFZSA-N 464.909 6.044 5 1 JKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)o1 587264275 FELHIAFXWIBJHW-UHFFFAOYSA-N 466.622 5.051 5 1 JKBF COC(=O)c1ccc(Oc2ccc3nc(-c4cncc(-c5cccc([N+](=O)[O-])c5)c4)[nH]c3c2)cc1 587270677 QFRJLRIGGYIJJL-UHFFFAOYSA-N 466.453 5.779 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 587340194 XBYAVPRAVFZQIC-BDYUSTAISA-N 473.431 5.881 5 1 JKBF COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c([N+](=O)[O-])c1 587574362 FTPYXUWIIYESFT-WIOPSUGQSA-N 459.410 5.272 5 1 JKBF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](N5CCCC5)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)[C@@H]2O 6041359 FLZAEJAYKQOFFH-OMKFAQTESA-N 476.661 6.376 5 1 JKBF CCCCC[C@H](O)CCCCCCCCCCCOC[C@@H](COCCCCC[N+](C)(C)C)OC 28233067 QCYYCPIMXDTFLM-VMPREFPWSA-N 488.818 6.753 5 1 JKBF c1ccc2c(c1)ccc1c(CN3C[C@@H]4CC[C@H](C3)N4Cc3cccc4c3ccc3ccccc34)cccc12 28707596 LWQZEQAHVYKQRP-RNPORBBMSA-N 492.666 8.148 5 1 JKBF O=[N+]([O-])c1cc2c(OCC[C@H]3CCCCN3)c(-c3cc(Cl)cc(Cl)c3)c(O)nc2cc1Cl 29461835 HWLSYBCFIZUFFT-OAHLLOKOSA-N 496.778 6.387 5 1 JKBF Cc1cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@H]2CCCCN2)cc([C@H](C)O)c1 29465069 JALKFUONYGFTTA-MAUKXSAKSA-N 485.968 5.442 5 1 JKBF CCN(CC)c1ccc2nc3c4ccc(Br)cc4/c(=N/c4ccccn4)cc-3oc2c1 71410933 IENDYHSVYUMONR-SGWCAAJKSA-N 473.374 6.322 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(C(F)(F)F)cccc4[nH]3)cc2)nc1C(F)(F)F 587119100 VRYYSSLWZQEUPB-UHFFFAOYSA-N 455.318 5.421 5 1 JKBF O=C(N[C@@H](c1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 587224971 UGMWEYPLHCQPLA-VWLOTQADSA-N 491.507 5.494 5 1 JKBF O=C1c2ccc(O)cc2OC2(c3cccc4ccc5ccc6cccc2c6c5c34)[C@@H]1c1ccc(F)cc1 587356191 ZDALESRTQYOFSL-WJOKGBTCSA-N 482.510 7.607 5 1 JKBF C[C@@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555760 LZVFAADODGFJJF-KNQAVFIVSA-N 475.375 5.162 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc([N+](=O)[O-])cc2)nc2sccn12 587616737 GHKYIXMTYAXVRC-DVECYGJZSA-N 485.477 5.380 5 1 JKBF O=C(CCc1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12)N1C(=O)OC[C@@H]1c1ccccc1 587646262 YZYKWNKNEQLCSF-HSZRJFAPSA-N 473.460 5.535 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Br)c2[N+](=O)[O-])N1 587675835 DFFPQWJLQYHEGS-VVVCHXIZSA-N 458.125 5.057 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)N1 587748275 TUEWZCNNJAMNSU-QKVFXAPYSA-N 461.287 5.292 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1 587750626 JERLJCDNMXGQDY-QKFKETGDSA-N 471.326 5.699 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 587860534 WJUWPWPCCLHACY-GFCCVEGCSA-N 450.278 5.272 5 1 JKBF O=[N+]([O-])c1cc(Cl)ccc1-c1ccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)o1 962717745 QQSSKWTZLARJAA-NPMXOYFQSA-N 458.942 6.100 5 1 JKBF O=[N+]([O-])c1ccc(Cl)c([C@H]2CC(c3cccc4ccccc34)=Nc3ccccc3[S@@]2=O)c1 5810701 YSEGBBFOGYVBHK-NLGDKJDOSA-N 460.942 6.775 5 1 JKBF Clc1ccc2c(c1)nc1cc(Nc3ccccc3)/c(=N/C3CCCCC3)cc-1n2-c1ccccc1 27650426 KPLQKLZCORLFAQ-MHTZHOPKSA-N 479.027 7.761 5 1 JKBF CSc1nc([N+](=O)[O-])cn1C[C@H](OCc1ccc(F)cc1)c1ccc(Cl)cc1Cl 66079956 JKVZMWLARKJOFE-KRWDZBQOSA-N 456.326 5.917 5 1 JKBF CC(C)CN(C)C(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1ccc([N+](=O)[O-])cc1 82148359 YOYLATXOCMXYLQ-UHFFFAOYSA-N 487.482 5.411 5 1 JKBF CCCCCc1nc(-c2cnc(NCCOc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174427 DVLAMAMHUUOQAD-UHFFFAOYSA-N 487.560 6.239 5 1 JKBF CC(C)n1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(Br)c1Br 587005145 PHZCTBKHYWEFCJ-UHFFFAOYSA-N 485.183 6.234 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)ccc1Sc1nc2ccccc2s1 587033920 AANAQGGXRQPALW-UHFFFAOYSA-N 473.366 7.206 5 1 JKBF CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c([N+](=O)[O-])cccc6[nH]5)cc4)nc(O)c23)C1 587037906 KQOSTZRUQNCMSG-CYBMUJFWSA-N 471.542 6.030 5 1 JKBF Clc1ccc(CC/C(=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)c2ccccc2)cc1 587073495 JMCZHRMREOANCI-ATJXCDBQSA-N 458.992 8.696 5 1 JKBF O=C1c2ccccc2-c2cc(COc3ccc4c(c3)oc(=O)c3ccccc34)nc3cccc1c23 587208597 CFSAASLNYAWKDZ-UHFFFAOYSA-N 455.469 6.285 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)CC2=O 587455858 GYTCQHYUFBWGJJ-NRFANRHFSA-N 472.291 5.982 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1 587846524 USCCDKIRHMPSIF-MCMMXHMISA-N 479.415 6.545 5 1 JKBF CC(C)(C)c1ccc(C(=O)Nc2nc3c(ccc4onc(-c5ccccc5[N+](=O)[O-])c43)s2)cc1 13660911 BCKWUQANYXTJOR-UHFFFAOYSA-N 472.526 6.563 5 3 JKBF COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(O)c([N+](=O)[O-])c4)C3=C(O)C2)cc1OC 103935096 OFQIYSYTOZQFRP-CRYYWNKWSA-N 487.512 5.947 5 1 JKBF COc1cc2cc(C(=O)[C@@H]3CC[N@+](C)(Cc4ccccc4)CC[C@H]3OC)sc2cc1OC 261161911 RANOFWRVYDDHPM-GNMOFYLKSA-N 454.612 5.173 5 1 JKBF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC3 586986591 DDXPCOFEIQAHJV-MRXNPFEDSA-N 467.437 5.436 5 1 JKBF Cc1ccc2c3c(cc(Cc4ccc(OC(F)(F)F)cc4[N+](=O)[O-])nc13)-c1ccccc1C2=O 586995964 OCQAIWVVSJNIOQ-UHFFFAOYSA-N 464.399 6.152 5 1 JKBF O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 587344210 WJSDTEQXDAUBNE-XNMGPUDCSA-N 453.425 5.723 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 587573719 XBJXMJFQHYEAKH-IGKIAQTJSA-N 487.439 5.721 5 1 JKBF COc1cc2c3c(c4ccc(OCc5ccccc5)cc4c2cc1OC)CN1CCCC[C@H]1[C@@H]3O 1772633138 FCCVUYVUMQFYQT-YZNIXAGQSA-N 469.581 5.991 5 1 JKBF CC(=O)Nc1cccc(N=c2[nH]c(-c3cccc(C(F)(F)F)c3)nc3ccc([N+](=O)[O-])cc23)c1 1857744872 YQXGMVVYEPQHMC-UHFFFAOYSA-N 467.407 5.348 5 1 JKBF COc1ccccc1CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2483065 UIVJLMJVZUSUQV-UHFFFAOYSA-N 481.867 5.648 5 1 JKBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135078 QWMHFCSQWINQMN-WMZOPIPTSA-N 463.538 5.216 5 1 JKBF CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc([N+](=O)[O-])c(C(=O)O)c2)cc1 299821392 LSWZIHLQDSRYNG-UHFFFAOYSA-N 461.474 5.095 5 1 JKBF CS(=O)(=O)c1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586925673 HYNXYRZPFBSCGV-UHFFFAOYSA-N 484.946 5.472 5 1 JKBF Cc1onc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)c1COc1ccc(Cl)cc1 587075432 IEVGZFWSTOIMID-UHFFFAOYSA-N 463.675 5.429 5 1 JKBF Cc1cc(N(C)Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c([N+](=O)[O-])cc1F 587136377 DXOMGINGMBVULI-UHFFFAOYSA-N 499.340 5.897 5 1 JKBF COc1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261108 UGIGPSWMQLKJJA-UHFFFAOYSA-N 484.306 5.497 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C(C)C)c2c1 587618015 LSOMGMJLHHRFID-UHFFFAOYSA-N 499.976 6.329 5 1 JKBF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@]3(CCCC[C@H]3c3ccc([N+](=O)[O-])c(Cl)c3)N12 962657969 DPTZEJNYLBUQQU-RRWZXMNXSA-N 479.964 5.448 5 1 JKBF c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\CCCN2CCCCC2)cc1 27628284 GTOIWFRRSQNKSX-PJJLUWSFSA-N 487.651 6.651 5 1 JKBF O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 38751541 APAQSJKHYTYKSS-WQDXHIQYSA-O 467.680 5.136 5 1 JKBF CC(C)=CCC[C@]1(C)CCc2c(c(O)cc3oc4cc5c(c(O)c4c(=O)c23)C=CC(C)(C)O5)O1 299859162 HSTJDOHTQKQSCH-MUUNZHRXSA-N 462.542 6.372 5 1 JKBF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 586982961 SOUHOFUXKXLIKX-LJQANCHMSA-N 457.415 8.004 5 1 JKBF CN(C)CCOc1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 587037410 INAPEEZKCRCBEH-UHFFFAOYSA-N 491.598 5.839 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OC(=O)c1ccc([N+](=O)[O-])c(OC)c1)CC2=O 587473663 YVCDLPMEYSNLHJ-HHHXNRCGSA-N 491.496 5.361 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 587576211 NIZMCTZHTGPZRG-BVAGGSTKSA-N 455.422 5.796 5 1 JKBF O=C(c1c(-c2ccc(I)cc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587645751 JKEKISWHZAEOGL-UHFFFAOYSA-N 460.149 5.093 5 1 JKBF O=[N+]([O-])c1ccc([C@]2(Cc3nc4ccccc4[nH]3)c3ccsc3CCN2Cc2ccco2)cc1 962704184 JESNMZBJZQBAGS-AREMUKBSSA-N 470.554 5.670 5 1 JKBF Oc1ccc([C@H]2c3c(O)cc(O)c4c3c(cc3ccc(O)cc34)[C@H]2c2cc(O)cc(O)c2)cc1 2356439942 IOZHXVGEYABNFO-JWQCQUIFSA-N 452.462 5.504 5 1 JKBF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135565 PBKCZZUFBJFIND-IRXDYDNUSA-N 479.968 5.435 5 1 JKBF CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2oc3c(O)ccc(O)c3c(=O)c2c1O 95485922 SYIJAIGFXDMIRQ-LICLKQGHSA-N 464.558 6.513 5 1 JKBF biogenic,in-vitro CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587261855 DFXBLFADUADUIS-SECBINFHSA-N 457.792 5.495 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587452241 NKSZAOSOSLEQSI-SBUREZEXSA-N 453.903 5.897 5 1 JKBF O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1[N+](=O)[O-] 587575858 LDXLDBGJJRVYCX-BVAGGSTKSA-N 483.432 5.369 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1 587750622 JERLJCDNMXGQDY-LFVRLGFBSA-N 471.326 5.699 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 587751689 NVNCBOKHNPXMFF-MQNRADLISA-N 494.364 6.123 5 1 JKBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587944110 BKIRPFHZSMXYFC-KRWDZBQOSA-N 466.513 5.209 5 1 JKBF COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)[C@@H](C)O)N2c2ccc([N+](=O)[O-])cc2)cc1 653801324 RKSCFLCDNKHGGP-CPJLOUKISA-N 462.477 5.142 5 1 JKBF COc1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](C)Oc2ccc(C(F)(F)F)cc2)cc1 45188620 FXEDHMYLCFNGMT-OAHLLOKOSA-N 474.435 5.487 5 1 JKBF O=C1[C@H](Cc2ccccc2)N=C(c2ccccc2)c2ccccc2N1Cc1ccccc1[N+](=O)[O-] 66073601 UZXHWKHDRPFVBA-VWLOTQADSA-N 461.521 5.590 5 1 JKBF CCO[P@](=O)(Oc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1)c1ccccc1 169342868 GEZOLHISBFTXIQ-UMSFTDKQSA-N 476.429 5.729 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 586947984 CEUVMIZXJOAWTL-UHFFFAOYSA-N 476.436 5.266 5 1 JKBF Cc1ccc2c3c(cc([C@@H](C)Oc4ccc5c(oc(=O)c6ccccc65)c4C)nc13)-c1ccccc1C2=O 587103464 XGACCLUNXQSRID-LJQANCHMSA-N 497.550 7.463 5 1 JKBF CCCCN(Cc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587192916 KDACGSQAAVYEJK-UHFFFAOYSA-N 484.556 6.331 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587263677 NOSMFCPQNJDSMU-SECBINFHSA-N 473.791 5.374 5 1 JKBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3ccccc3c3ccccc3c2[nH]1 587266120 IXUWJHQUMZTREQ-YEJXKQKISA-N 457.446 5.220 5 1 JKBF Cc1c(Br)ccc([N+](=O)[O-])c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587674031 SDEJOHXYZVUJTD-RBHXEPJQSA-N 458.125 5.191 5 1 JKBF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccc([N+](=O)[O-])cc1 587750126 GTAAVLMODOSXER-NPMABZOXSA-N 487.325 5.921 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 587847881 MIWRBBFDEMINHJ-XUSGNXJCSA-N 461.356 6.023 5 1 JKBF O=C1c2ccccc2[C@@](O[C@H]2CC[C@@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 66128708 RTMYOLAVEDNGOT-UFPGJGBJSA-N 478.932 5.035 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 586948023 CUTSBSUTFFKXMA-UHFFFAOYSA-N 477.329 5.554 5 1 JKBF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587033765 APSZGPOMHZXZQX-SFHVURJKSA-N 451.555 6.145 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc14)[C@@H](C2)C3=O 587433119 OCOBOXZHKKXSGE-KDYSTLNUSA-N 454.482 5.404 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3c([N+](=O)[O-])cccc13)CC2=O 587471741 TVTFJZVODDKBHQ-NRFANRHFSA-N 466.490 5.697 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3F)c(C)c2c1 587619490 HEGLLRGMGILUHO-UHFFFAOYSA-N 473.457 5.139 5 1 JKBF O=[N+]([O-])c1ccc(Sc2ncccn2)c([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962711734 MTCOQAQGMZYBLD-OPAMFIHVSA-N 468.579 5.128 5 1 JKBF O=[N+]([O-])c1ccc2[nH]c(=Nc3ccc(C(F)(F)F)cc3)c(=Nc3ccc(C(F)(F)F)cc3)[nH]c2c1 1857542456 BHUUXPYQUJRGLG-UHFFFAOYSA-N 493.367 5.907 5 1 JKBF COC(=O)c1c(O)ccc2c1c1cc3ccccc3c(O)c1n2CCc1ccc(OC)c(OC)c1 1663324 FIUVOTYEZXEQOO-UHFFFAOYSA-N 471.509 5.405 5 1 JKBF COc1cc2cc3c4c(cccc4c2c(OC)c1OCc1ccccc1)C(=O)N3CCCCN(C)C 27106019 REPFGKDBKWCWCR-UHFFFAOYSA-N 484.596 5.891 5 1 JKBF O=[N+]([O-])c1ccc(-n2nc(Cc3ccccc3)n(Cc3cccc(F)c3)c2=S)c(C(F)(F)F)c1 45302381 YAWNLSMNRMEOTR-UHFFFAOYSA-N 488.466 6.108 5 1 JKBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148678 MJGVLKPDPNFAOC-RBUKOAKNSA-N 491.567 5.496 5 1 JKBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(N[C@H]2CC[C@H](C(=O)O)CC2)ccc1[N+](=O)[O-] 100967447 BUPGFPGPSLWKAG-SUYVIKNLSA-N 475.586 5.066 5 1 JKBF Cc1ccc(/C=C/C(=O)N2N=C(c3ccc([N+](=O)[O-])cc3)O[C@@H]2c2cc3ccccc3nc2Cl)cc1 103173249 BQURDDFJMIBAQX-UDKPXMKSSA-N 498.926 6.037 5 1 JKBF O=[N+]([O-])c1ccc(CSc2nc(O)c3c(n2)N=C2CCCC(O)=C2[C@@H]3c2cccs2)cc1 104056385 XVSIGIYCOPKDQU-SFHVURJKSA-N 466.544 5.658 5 1 JKBF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c(=O)oc2c1C 586919046 XSGGWPNLUWOUDJ-UHFFFAOYSA-N 451.454 5.269 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)cc(Br)c2[nH]1 587261906 DWWKXLNTHKQBQJ-VIFPVBQESA-N 468.691 5.238 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344574 HBHVBKAVPYOCSF-SVEHJYQDSA-N 481.479 5.769 5 1 JKBF COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ccc(Br)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587449825 DATRPFMMNJUWBL-GAJHUEQPSA-N 498.354 6.006 5 1 JKBF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 963613655 VIFHOAKITQVGAC-BSEYFRJRSA-N 473.356 5.745 5 1 JKBF O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21 1772648036 AJSGCAGLYFFWMH-JHHOKDCISA-N 470.589 5.546 5 1 JKBF Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CO3)cc1 13808544 FWIATNJEFIMESS-UHFFFAOYSA-O 453.606 6.207 5 1 JKBF COc1cc2c(cc1OC)C(=O)[C@@H]([C@H](O)C1CC[N+](Cc3ccccc3)(Cc3ccccc3)CC1)C2 40688912 NDNZNGGMIRADBM-POURPWNDSA-N 486.632 5.047 5 1 JKBF CCOP(=O)(OCC)[C@@H](Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 73199075 DAASQZQRHBFNNF-JOCHJYFZSA-N 475.869 6.687 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2[N+](=O)[O-])N1 587677145 GVZYTGJJXQXEQX-XYZCENFISA-N 458.125 5.057 5 1 JKBF Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587696411 UERYEZMYIGPTJZ-QKFKETGDSA-N 489.772 6.284 5 1 JKBF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(F)(F)F 587712892 RHJVGAPBWLCTCQ-DYBLOJMWSA-N 493.251 5.070 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 587717932 LVZCUMPUDBBSBL-WHEQGISXSA-N 459.290 5.462 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)N1 587842455 FFHQHXSTLDQPFR-NSPYISDASA-N 475.343 5.061 5 1 JKBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 587937330 KFDOISFODBUYMH-OAQYLSRUSA-N 486.568 6.858 5 1 JKBF Cc1ccc(CCNc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82148497 ROKBWUWAIQXXKX-DVECYGJZSA-N 473.577 5.323 5 1 JKBF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586982894 ROKZYRHFXVEXHW-QGZVFWFLSA-N 459.391 6.794 5 1 JKBF O=C1C[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587532422 MUPUGOVEEJVMLT-HSZRJFAPSA-N 465.958 6.985 5 1 JKBF Nc1c([C@]2(c3ccc(Cl)cc3)c3c(F)cccc3C[C@H]3CCCN32)oc2cc([N+](=O)[O-])ccc12 963104013 GPXXLSAIEZZLRR-DWXRJYCRSA-N 477.923 6.028 5 1 JKBF Cc1nc(C(=O)Nc2ccc(Cl)cc2)sc1[C@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1 12726758 ZLWCVYIZBHSHSA-NRFANRHFSA-N 456.911 5.305 5 3 JKBF CCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 82134324 OKXCGEUUMRTJKF-SLWXAUBPSA-N 451.571 5.064 5 1 JKBF CCc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174889 WFMPTGDGCOHBHE-UHFFFAOYSA-N 465.966 6.046 5 1 JKBF CC(C)(C)OC(=O)N1CCC[C@H](CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84709778 WHJZJKQEPMGIJD-GOSISDBHSA-N 480.030 5.959 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587054238 JBZRTOBZGXEGSS-OAHLLOKOSA-N 475.254 5.924 5 1 JKBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c1 587262373 QUKSVLWHRHJHAI-UHFFFAOYSA-N 484.434 5.672 5 1 JKBF O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 587323377 JUSBYALJCKMGGT-JTHBVZDNSA-N 484.277 5.403 5 1 JKBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1Sc1nc4ccccc4s1)[C@@H](C2)C3=O 587454351 WGZVXZRYSJVJDG-QMHKHESXSA-N 476.535 5.853 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)CC2=O 587464102 IKZPMCPGNIOGKG-QHCPKHFHSA-N 487.430 6.771 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])C(C)(C)OC2(C)C 587746754 LCWGSHOVVAGTAI-KQVDEEAUSA-N 489.385 5.897 5 1 JKBF CC(C)CCCCCCCCCCCCCCCCCc1nc2c3ccccc3c3ccccc3c2[nH]1 587957379 KTLKUWXQIOIWLN-UHFFFAOYSA-N 498.799 11.309 5 1 JKBF CCN(CCCCCCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1ccccc1OC 28641087 APQVLCHKJANNBN-UHFFFAOYSA-N 473.613 6.806 5 1 JKBF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 586950034 NFVHGEKCWVCJTM-UHFFFAOYSA-N 465.538 5.436 5 1 JKBF Clc1cccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc(-c3ccccc3)nc12 587082491 PXGVIKKJZYIBNT-UHFFFAOYSA-N 455.948 8.405 5 1 JKBF CC(C)(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Oc1ccc([N+](=O)[O-])cc1Cl 587625208 DVJRLJVZLBZMDR-UHFFFAOYSA-N 480.792 7.857 5 1 JKBF CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)O)C2)cc1[N+](=O)[O-] 13863835 MRWGXKWDMVKCMX-KSEUIEODSA-N 454.548 5.206 5 1 JKBF O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1 26747512 KKKZIJAWZWHALO-UHFFFAOYSA-N 495.988 5.028 5 1 JKBF COc1cc2c(c3c1c(=O)c1c4ccc(Br)cc4ccc1n3C)C=CC(C)(C)O2 71340461 ZZRPMOFAEGENBP-UHFFFAOYSA-N 450.332 5.800 5 1 JKBF Cc1nc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174024 WYQKQKXXNHBSPX-UHFFFAOYSA-N 485.491 6.423 5 1 JKBF O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C=C(c1ccc(F)cc1)C[C@H]2c1ccccc1 96929731 MLYLVTZTLMZZRU-FQEVSTJZSA-N 472.432 5.197 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 586948373 HLOQZKJXJXNXMZ-UHFFFAOYSA-N 478.864 5.179 5 1 JKBF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587239472 ZGVXQMXXKZCSNM-UHFFFAOYSA-N 452.312 5.843 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CC1 587269269 JYAQWCVNHCGNKW-UHFFFAOYSA-N 452.820 5.163 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)cc1 587271250 BFVUTQKJCISEPV-UHFFFAOYSA-N 494.223 6.592 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1)[C@@H](C2)C3=O 587449130 BEXMXIALPAKHDJ-CYFREDJKSA-N 467.930 6.038 5 1 JKBF C[C@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611714 JKBCMEBFZHSRAV-RCZVLFRGSA-N 459.479 5.906 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)N1 587705176 XECYDILJJMTONH-YTEVENLXSA-N 491.744 6.566 5 1 JKBF CCCN(CCc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1)[C@@H]1CCc2c(O)cccc2C1 13446571 GAJLCVIQCPUCOK-OAQYLSRUSA-N 487.560 5.392 5 1 JKBF CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1cc2ccccc2c2ccccc12 28106925 JBWIHSLWEPLFEG-UHFFFAOYSA-N 473.498 6.495 5 1 JKBF O=[N+]([O-])c1ccc(Oc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1Oc1c(Cl)cccc1Cl 64453433 MSMHDGZIXOUGDZ-UHFFFAOYSA-N 490.082 7.701 5 1 JKBF Cc1ccc(-n2cnnc2SCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1Cl 586968060 KQGXQLBZWBEVQH-UHFFFAOYSA-N 457.950 5.494 5 1 JKBF COC(=O)c1cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2c(F)c1Nc1ccccc1 586969106 NFUOCKGNTLTCKL-UHFFFAOYSA-N 494.548 6.556 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 587543993 CWXFXRAARKWZNY-QPPBQGQZSA-N 463.829 5.917 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c2cc2ccc3cccc4ccc1c2c34 587604319 SOZGJPUIMLHMKW-NDKRRWIDSA-N 482.535 7.483 5 1 JKBF Cc1ccc([C@@]2(c3ccc(Cl)c([N+](=O)[O-])c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587696349 SZXKYPVHGHJBHP-PSLXWICFSA-N 489.772 6.284 5 1 JKBF COc1ccccc1Oc1c(Cl)cccc1-n1c(O)ccc1OCCn1c([N+](=O)[O-])cnc1C 587940767 JYAHQCGAZRLKBW-UHFFFAOYSA-N 484.896 5.129 5 1 JKBF C[C@]1(c2ccc(Oc3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)NCCc2c(Cl)cc(Cl)cc21 963120523 JGMMMXAIMLYVKM-JOCHJYFZSA-N 498.193 7.410 5 1 JKBF CC1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82150308 WIGRBQSBLNMAMJ-UHFFFAOYSA-N 473.577 5.339 5 1 JKBF CCCCCCOc1ccc(Br)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586981685 LORLNSKEUAIMIT-UHFFFAOYSA-N 463.288 5.768 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)c(F)c(F)c2[nH]1 587054870 MMXKXPNXXMIGLQ-OAHLLOKOSA-N 487.688 5.292 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)cc2)cc1 587271845 JQTFNCLJLWTMTN-UHFFFAOYSA-N 478.224 6.712 5 1 JKBF COc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c(C)c1[N+](=O)[O-] 587545269 ONANPZZTPZDRJD-FDDCHVKYSA-N 455.850 5.148 5 1 JKBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)c1cc([N+](=O)[O-])ccc1-c1nn(C)c(C(C)(C)C)c12 962955686 XZFDPTSEEXZBNA-KUNJGFBQSA-N 455.562 5.304 5 1 JKBF COc1cc2c3c(ccc4c5ccc(OC)c(OC)c5c(-c5ccc6c(c5)OCO6)[n+](c43)CC2)c1OC 1857570017 CKBYWBROPUDODG-UHFFFAOYSA-N 496.539 5.420 5 1 JKBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(-c3ccc(Cl)c(Cl)c3)c(Cc3ccccc3)nn12 1857610783 WCFFMZZUYZZNKW-UHFFFAOYSA-N 491.334 6.162 5 1 JKBF O=[N+]([O-])c1cccc([C@@H]2CC(c3cc4cc(Br)ccc4o3)=Nc3ccccc3S2)c1 1857637367 MFPMKKGWHWZBNW-QHCPKHFHSA-N 479.355 7.461 5 1 JKBF C[C@@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82163694 ISLKXQYWCSCTEP-QZTJIDSGSA-N 471.586 6.325 5 1 JKBF O=c1c(-c2ccc(O)cc2)coc2cc(Oc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3C(F)(F)F)ccc12 103291548 IICKECNLWYNOBG-UHFFFAOYSA-N 488.330 5.793 5 1 JKBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1F 587139882 RGVAXOVBACWXJZ-UHFFFAOYSA-N 481.292 5.385 5 1 JKBF CNC(=O)Oc1cccc(CN(CCCOc2ccc3c(=O)c4ccccc4oc3c2)C(C)C)c1 13781339 ZYUCOMLJCQLLSP-UHFFFAOYSA-N 474.557 5.344 5 1 JKBF CC(C)Cc1ccc([C@H](C)c2nn(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=S)o2)cc1 64446825 KYJVRQSPNUREDF-IBGZPJMESA-N 481.622 5.244 5 1 JKBF CCc1cnc(-c2cnc(NCCc3cc(OC)ccc3OC)nc2-c2cccc([N+](=O)[O-])c2)s1 82163734 FNHQKWKLXLTYDQ-UHFFFAOYSA-N 491.573 5.410 5 1 JKBF CCc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587752890 ULLAQBPUAYGACM-DMZKTXOQSA-N 459.315 5.478 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 587860535 WJUWPWPCCLHACY-LBPRGKRZSA-N 450.278 5.272 5 1 JKBF CCOC(=O)Cn1c(=O)c2cc(-c3ccccc3)cc3c(Cl)nc4c(OC)c(OC)cc1c4c32 1656641 OXAFYGIPDITGTO-UHFFFAOYSA-N 476.916 5.041 5 1 JKBF c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\CCCN2CCOCC2)cc1 27649748 NKEMRWNNYKKFCB-QVAGMWBUSA-N 489.623 5.497 5 1 JKBF CCOC(=O)c1csc([C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2cccc3ccccc23)n1 29233752 NDASNSDAFLKKKH-NRFANRHFSA-N 475.526 5.095 5 1 JKBF CC/C=C/CC/C=C/C/C=C/CC/C=C/CC/C=C/CCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 40164499 AOSDFVDGMYPTHD-FZFUZRNGSA-O 474.706 6.781 5 1 JKBF endogenous,in-man O=[N+]([O-])c1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)ccc1Sc1nc2ccccc2s1 587034371 FIDOVQOGWXOWGY-UHFFFAOYSA-N 474.354 6.601 5 1 JKBF CCCCOc1cc2nc(-c3ccc(OCCOC)c([N+](=O)[O-])c3)[nH]c2cc1Br 587266501 ZBNJVSHTZHADEP-UHFFFAOYSA-N 464.316 5.105 5 1 JKBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587267189 VFXHIONBATVEBH-ZETCQYMHSA-N 474.193 5.334 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Br)cc(C(F)(F)F)cc4[nH]3)cc2)cc1 587272469 UCINCXCDBXHCLG-UHFFFAOYSA-N 478.224 6.712 5 1 JKBF CC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)c4coc5cc([N+](=O)[O-])ccc45)c3n2)cc1 587280545 ZMOLHSCBEUHPTL-UHFFFAOYSA-N 494.429 6.424 5 1 JKBF O=c1c(-c2ccc(Cl)cc2)coc2cc3occ(-c4ccc(Cl)cc4)c(=O)c3c(O)c12 653882370 OIIMPQGEXUOMCH-UHFFFAOYSA-N 451.261 6.246 5 1 JKBF C[C@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962701643 LKWHSTTZAUDXPB-QRQCRPRQSA-N 475.636 5.715 5 1 JKBF Cc1cccc(-c2ccc([N+](=O)[O-])cc2CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)c1 95601970 ICGIQJGOZAKCGI-UHFFFAOYSA-N 479.584 5.273 5 3 JKBF COc1ccccc1Nc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)n2)c1 45256241 DIFGSTYSTPFHSV-UHFFFAOYSA-N 453.502 5.197 5 1 JKBF COc1cccc(CC2CCN(CCCCOc3ccc4c(c3)oc(=O)c3ccccc34)CC2)c1 221970210 PTBWWTXVGBBFIJ-UHFFFAOYSA-N 471.597 6.069 5 1 JKBF CCCC1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CCC1 586877881 UQJUKTOQAVJGBH-UHFFFAOYSA-N 468.509 6.067 5 1 JKBF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)c1 587050357 PHIPPUDZYRZXPD-UHFFFAOYSA-N 456.683 6.034 5 1 JKBF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] 587105046 MBTCFZMCVXROTG-UHFFFAOYSA-N 481.508 6.844 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)N1 587748153 VDFZCSUIFYZWRI-XMHCIUCPSA-N 487.325 5.405 5 1 JKBF CN(c1ccccc1)c1ccc([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cc1[N+](=O)[O-] 962716215 WIAPVOKUIBJMLK-SIKLNZKXSA-N 489.425 5.209 5 1 JKBF CC[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816976 IUWHTGVGVMSPOD-AREMUKBSSA-N 461.949 6.108 5 1 JKBF CC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(COc2ccccc2OC(F)(F)F)cc1 1857556383 ORVFKTYJJSINQJ-UHFFFAOYSA-N 464.396 5.331 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c(oc5ccccc54)c(NCCCN(C)C)c3c2)cc1 1857754807 UBGFSLRJWMXKCM-MDZDMXLPSA-N 467.638 7.390 5 1 JKBF CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)O)c5C)C=C4C)c(CC)c3C 13407663 HCNHSIZQPOLMAC-UHFFFAOYSA-N 494.639 7.412 5 1 JKBF biogenic O=[N+]([O-])c1cnc2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c2c1 587109277 FVWZCYKQQLTEDB-UHFFFAOYSA-N 468.313 6.363 5 1 JKBF COc1ccc(-c2ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c(F)c2)c(F)c1 587150019 YEGQJRQNQSZPJR-UHFFFAOYSA-N 460.234 5.854 5 1 JKBF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(Br)cc1[N+](=O)[O-] 587620731 FZDBSPRJGZEKDU-UHFFFAOYSA-N 450.090 5.453 5 1 JKBF CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587743528 AVJWPUYUXWDRIP-UAGWRWDDSA-N 481.362 5.554 5 1 JKBF Cc1ccc2[nH]c3ccccc3c(=Nc3ccc(NC(=S)Nc4ccc(Cl)cc4)cc3)c2c1 653769944 ITWNOUZZGFFRAQ-UHFFFAOYSA-N 469.013 7.324 5 1 JKBF Cc1cc(Br)c2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2c1 587035825 UGJVCCGTONPQNX-UHFFFAOYSA-N 497.399 6.970 5 1 JKBF O=c1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)n1CCOc1ccccc1Cl 587063883 BMXOTEVOAKGYII-UHFFFAOYSA-N 467.916 5.220 5 1 JKBF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(F)c2)c1 587147120 HLHKGDOUAPUJGV-UHFFFAOYSA-N 486.253 5.414 5 1 JKBF CCc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587342344 NDTOWPJAMSOKQI-BDYUSTAISA-N 473.456 5.898 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4cc(C)ccc4C(C)C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587432794 LTYYNYAQMRHGMV-DCFHFQCYSA-N 459.498 6.316 5 1 JKBF CNc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587508935 GTZIRERZJGQHIE-HHHXNRCGSA-N 472.497 5.123 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Br)c2[N+](=O)[O-])N1 587675836 DFFPQWJLQYHEGS-XLFHBGCDSA-N 458.125 5.057 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc2)N1 587749907 ZZSLMWUEYJRDAS-IPQOISQHSA-N 485.309 5.485 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CCS[C@@H]3c3cccs3)c2c1 1857632417 XIKFQUBWPBKVPF-RUZDIDTESA-N 498.073 6.000 5 1 JKBF COC(C/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1)OC 27642348 NRAWJXYVACVGHU-BYNJWEBRSA-N 450.542 5.394 5 1 JKBF O=[N+]([O-])c1cc2c(cc1[C@H]1Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C31)OCO2 103945389 HMFJBEIIVBFPCL-YEBMWUKDSA-N 461.499 6.014 5 1 JKBF CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(O)CC(C)(C)CC2=N1 104081307 SVISHRZYOFTOFG-JOCHJYFZSA-N 480.952 6.035 5 1 JKBF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c1C 586947423 NZUISVUTGVSGMY-UHFFFAOYSA-N 479.565 5.744 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 587332314 FYRUSCKRFYTYIO-QQSVUBKYSA-N 492.459 5.803 5 1 JKBF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC3)c1 587362779 NGFZTNDQALOQQY-FQEVSTJZSA-N 495.491 6.941 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc([N+](=O)[O-])cc4Cl)c1)[C@@H](C2)C3=O 587420471 PVYAORQXWAAGRO-BVZFJXPGSA-N 481.888 5.333 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)N1 587705573 YQYGPWHHJKQALG-IPQOISQHSA-N 491.744 6.566 5 1 JKBF CSc1nc([N+](=O)[O-])cn1C[C@@H](OCc1ccc(F)cc1)c1ccc(Cl)cc1Cl 66079958 JKVZMWLARKJOFE-QGZVFWFLSA-N 456.326 5.917 5 1 JKBF CCN(CC)c1ccc2nc3c4ccc(Br)cc4/c(=N/c4ccncc4)cc-3oc2c1 71410936 WAXVCRQRFFITLI-XAYXJRQQSA-N 473.374 6.322 5 1 JKBF O=[N+]([O-])c1ccc(SC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1 95578421 GRNOLCLCOQBFCO-UHFFFAOYSA-N 494.598 5.287 5 1 JKBF CCN(CC)CCNc1ccc(CNC(=O)c2ccccc2)c2sc3ccccc3c(=O)c12 101300983 RIVXZXAEJSTBPD-UHFFFAOYSA-N 459.615 5.098 5 1 JKBF O[C@H](C[C@@H]1CCCCN1)c1cc2cc(Br)ccc2c2cc(C(F)(F)F)ccc12 169337785 LCNWRLAJHIEHCI-HRAATJIYSA-N 452.314 6.340 5 1 JKBF CCCN(CCC)C[C@@H](O)c1cc2ccc(Br)cc2c2cc(Br)ccc12 169337794 JCACSNKKHDSVLV-JOCHJYFZSA-N 479.256 6.673 5 1 JKBF COc1ccc2c(C)c(CCc3nc4cc5nc6ccccc6nc5cc4[nH]3)c(=O)oc2c1C 586919275 YSELUOKMYRGWNS-UHFFFAOYSA-N 450.498 5.176 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 587333956 OGFJPGHPCZZOLN-BDYUSTAISA-N 473.431 5.881 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(ccc4ccccc43)oc2=O)N1 587838125 AKVNQWHHAFDAHP-OZAJXLCCSA-N 452.323 5.646 5 1 JKBF O=[N+]([O-])c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)c(S(=O)(=O)Nc2ccccc2Cl)c1 587875154 GSWDUXRCTBJDNI-UHFFFAOYSA-N 486.868 5.147 5 1 JKBF O=[N+]([O-])c1c(Br)cccc1-n1c(OCc2ccccc2)cc(-c2ccccc2)c1O 587935606 CRZBKGYQUDYGLW-UHFFFAOYSA-N 465.303 6.100 5 1 JKBF CC/C=C/CC/C=C/C/C=C/CC/C=C/CC/C=C/CCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 40164498 AOSDFVDGMYPTHD-IMYCKIQPSA-O 474.706 6.781 5 1 JKBF endogenous,in-man Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 72118097 FZOADVDECNJDTK-VWLOTQADSA-N 469.472 5.560 5 1 JKBF Cc1oc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174589 KFBVDPOIWZMCMS-ROUUACIJSA-N 469.545 6.165 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3nc(Br)c[nH]c-3n2)ccc1Sc1nc2ccccc2s1 587034096 DDMLWLOYRXUJNO-UHFFFAOYSA-N 485.348 5.403 5 1 JKBF Clc1ccc(I)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587182154 AKRQWQPQSKJEJY-UHFFFAOYSA-N 456.674 5.584 5 1 JKBF C[C@@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199909 PWOFMRCZPOVXJK-AWEZNQCLSA-N 476.920 6.066 5 1 JKBF O=C(N[C@H](c1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 587223484 NMMRSSKVCDZTOW-RUZDIDTESA-N 491.507 5.494 5 1 JKBF Cc1c(OC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc2c1oc(=O)c1ccccc12 587608816 MASZZEIFOIUTOD-RNAHPLFWSA-N 494.499 5.760 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)N1 587747210 NCWVKMYPVUFAMD-MCMMXHMISA-N 481.325 5.435 5 1 JKBF COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)[C@H](C)O)N2c2ccc([N+](=O)[O-])cc2)cc1 653801326 RKSCFLCDNKHGGP-LMKMVOKYSA-N 462.477 5.142 5 1 JKBF C[C@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)c2cccc(F)c2CCN1[C@H]1CCSC1 962701623 LKWHSTTZAUDXPB-NYHFZMIOSA-N 475.636 5.715 5 1 JKBF O=C([C@H]1Cc2ccccc2[C@@]2(CCCC(Nc3ccc([N+](=O)[O-])cc3)=C2Cl)N1)C(F)(F)F 962727803 AXVBIMMTCPLFAN-WIYYLYMNSA-N 465.859 5.182 5 1 JKBF O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccccc1[N+](=O)[O-] 206471309 BMXHPMQKEMARLG-UHFFFAOYSA-N 471.321 7.057 5 1 JKBF C[N@+]1(CCCCCCCCCCCCCCCC[N@+]2(C)CCC[C@@H]2CO)CCC[C@@H]1CO 253655904 MYAGCAOZYJKPQU-CSBHBGLHSA-N 454.784 5.650 5 1 JKBF COc1cc2nc(/C=C/c3ccccc3Cl)n(-c3ccccc3[N+](=O)[O-])c(=O)c2cc1OC 299859638 YBJDOTZXOWURDT-VAWYXSNFSA-N 463.877 5.135 5 1 JKBF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2)o1 586923738 TYUFIRLXJAOKFI-UHFFFAOYSA-N 468.538 5.456 5 1 JKBF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586983137 WEBKCOMLHQRKTP-QGZVFWFLSA-N 459.391 6.794 5 1 JKBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1Cl 587047278 DYDKXELKTDPXTJ-DUXPYHPUSA-N 462.609 5.956 5 1 JKBF Clc1cccc(-n2nc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2-c2ccco2)c1 587068003 FRSYPNFUTRSREO-UHFFFAOYSA-N 460.924 7.635 5 1 JKBF O=[N+]([O-])c1ccc(CCc2c(-c3ccccc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 587627518 AEGKXYDGWLMYPG-UHFFFAOYSA-N 478.392 7.566 5 1 JKBF Cc1c(Br)ccc([N+](=O)[O-])c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587674033 SDEJOHXYZVUJTD-WNWIJWBNSA-N 458.125 5.191 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 587746701 KHAUZFIGLKOKNR-MYYSRTQBSA-N 485.353 5.873 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cccc3ccc4ccc5cccc2c5c4c13 587825244 BSWWBPBJYXCMDL-HNNXBMFYSA-N 468.369 7.187 5 1 JKBF CCOP(=O)(OCC)[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 71319251 VTMWBCABCAVJHF-LJQANCHMSA-N 458.835 5.642 5 1 JKBF O=C(Nc1ccc(Nc2ccc(SC(F)(F)F)cc2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1O 84738954 DUYAYHZGZDKOEM-UHFFFAOYSA-N 483.855 6.562 5 1 JKBF COc1cccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)c1 104096871 MNBGMWLBTQHLOC-JWIGPWBQSA-N 485.496 5.961 5 1 JKBF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](C(=O)NCC[N+](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118938406 HALONVGNZDGKLX-LSDUJRNXSA-O 499.848 7.466 5 1 JKBF CCN(Cc1cc(N)ccc1OC)C[C@@H](O)c1cc2ccccc2c2cc(Br)ccc12 169339543 LUXYZAWLFXGOPB-RUZDIDTESA-N 479.418 5.902 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(C)c1[N+](=O)[O-] 587268001 VJXQKTTYKRXVEG-UHFFFAOYSA-N 455.543 6.151 5 1 JKBF COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587579422 ZSZSZNAOEOGBGK-LBNVMWSVSA-N 498.491 5.624 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Br)cc2[N+](=O)[O-])N1 587681365 SHAMHAKCMGHGOV-MLCYQJTMSA-N 472.152 5.251 5 1 JKBF CC(C)=CC[C@@H]1Cc2c(OCCCOc3ccc([N+](=O)[O-])cc3)cc(=O)n(CCCO)c2CC1(C)C 1857577690 YCPNBZKKYPCVNJ-OAQYLSRUSA-N 498.620 5.084 5 1 JKBF C[C@@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C 105175174 JFAFVONXEFSODO-NAYASGRBSA-N 463.582 5.207 5 1 JKBF O=C(Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1 299826955 FKOADYZTHLQYCF-UHFFFAOYSA-N 497.876 5.720 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587054324 JTIPTVDSRUVHOB-QFIPXVFZSA-N 480.977 6.403 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587109249 DMEBSINMXMCPGX-UHFFFAOYSA-N 482.178 6.056 5 1 JKBF CCCCCOc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1Br 587268783 FOAMBIGROMUOGJ-UHFFFAOYSA-N 473.371 6.070 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)cc2[N+](=O)[O-])N1 587745273 HDWUBVKZEXDEPE-VERVWZFWSA-N 485.309 5.485 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 587745480 HHTMQTDQASZCJB-SHACYNPGSA-N 495.352 5.393 5 1 JKBF CCC[C@H](CC1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587782620 VTLKLOSDSJJRIH-GOSISDBHSA-N 469.969 6.486 5 1 JKBF COc1cc2c3c(c4ccc(OC(=O)c5cccs5)cc4c2cc1OC)CN1CCCC[C@@H]1C3 1772610751 UMZLDGGIJATALN-QGZVFWFLSA-N 473.594 6.202 5 1 JKBF COc1ccc(F)cc1/C=C/c1nnc(-c2cc(C)cc3c(=O)c4ccccc4c(O)nc23)o1 1857761576 TZRFYTZEHIRBAC-JXMROGBWSA-N 455.445 5.130 5 1 JKBF CC(C)=CCCC(C)=CCc1c(O)c2c(c3c(=O)c4cc(O)ccc4oc13)OC(C)(C)[C@@H](O)C2 2356593318 GZOFBXLMLDTZJM-QFIPXVFZSA-N 464.558 5.667 5 1 JKBF Cc1ccc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@H]2CCCCN2)cc1C 29465956 PRSLJDQAGGFMKK-QGZVFWFLSA-N 455.942 5.697 5 1 JKBF O=C(c1c(Nc2cccc(Cl)c2Cl)nc2c(Cl)ccc([N+](=O)[O-])c2c1O)C1CC1 84602233 NTMAXGJGELJXLC-UHFFFAOYSA-N 452.681 6.145 5 1 JKBF COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(O)c([N+](=O)[O-])c4)C3=C(O)C2)cc1OC 103935090 OFQIYSYTOZQFRP-SOKVYYICSA-N 487.512 5.947 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)c(Cl)cc2c2c(Cl)cc(Cl)cc12 169338442 APWXXKZYGXVQSJ-HSZRJFAPSA-N 487.298 8.542 5 1 JKBF COc1cc2cc(C(=O)C[C@H]3CCCC[N@@+](C)(Cc4ccccc4)CC3)sc2cc1OC 261137713 MKTGQOMRSQXJEL-WTYVLRPYSA-N 452.640 6.328 5 1 JKBF CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c([N+](=O)[O-])cncc6[nH]5)cc4)nc(O)c23)C1 587038143 LLAKSFLYOLJVSS-LBPRGKRZSA-N 472.530 5.425 5 1 JKBF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c3ccccc3c3ccccc3c2[nH]1 587086753 LNBBPOBKNHZKSS-PFONDFGASA-N 483.402 7.900 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 587749516 YZDKTVCRVGDVJV-CMJOXMDJSA-N 455.327 5.517 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)N1 587843567 IQUOSRZPDNHCFZ-JEOXALJRSA-N 475.343 5.061 5 1 JKBF CCOC(=O)CCCC[C@@]1(c2ccc(OC)c([N+](=O)[O-])c2)NCCc2cccc(-c3ccccc3)c21 962667868 WKXKPBIMWLWSHM-LJAQVGFWSA-N 488.584 5.783 5 1 JKBF COc1cc2c(cc1OC)[C@H](c1ccc([N+](=O)[O-])o1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962675333 HGMDOEFTBUWRCQ-OAQYLSRUSA-N 476.407 5.012 5 1 JKBF COc1cc2cc(C(=O)CCC3CC[N+](C)(Cc4ccc([N+](=O)[O-])o4)CC3)sc2cc1OC 13818047 QRGWRAREWVXQNK-UHFFFAOYSA-N 473.571 5.439 5 1 JKBF COc1cc2cc(C(=O)[C@@H]3CC[N+](C)(Cc4ccccc4)CC[C@@H]3OC)sc2cc1OC 58543194 RANOFWRVYDDHPM-OFTICUHGSA-N 454.612 5.173 5 1 JKBF Brc1ccc(-c2ccc(/C=C/c3nc4cc5nc6ccccc6nc5cc4[nH]3)o2)cc1 586999119 VZRACIHJGAMWOX-ZRDIBKRKSA-N 467.326 6.852 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@@H]2CCCC[C@@H]21 587026049 JZZHEUUBSVUASQ-YYWHXJBOSA-N 467.598 5.796 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)nn1CC(F)(F)F 587093226 YPFWVRWQMOAFKA-UHFFFAOYSA-N 496.243 5.238 5 1 JKBF C[C@@]1(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587510332 YPGNBSQLPRKINC-QFIPXVFZSA-N 464.301 5.432 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2cc(F)ccc2[N+](=O)[O-])o1 587571391 NTCOLIUXWOVHHB-DHLKQENFSA-N 477.400 5.314 5 1 JKBF C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612553 WCHUJGCJTZAKCC-RLUMBMPTSA-N 494.499 5.840 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(F)cc2[N+](=O)[O-])N1 587713678 CUWZKLDMDKKNAV-GYKQLYQFSA-N 462.088 5.022 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])C(C)(C)OC2(C)C 587746755 LCWGSHOVVAGTAI-XFZQSRHHSA-N 489.385 5.897 5 1 JKBF CN1CCc2c(Br)cccc2[C@@]1(C)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 963281664 UMHLWNPYBWCFRX-XMMPIXPASA-N 467.363 5.688 5 1 JKBF COc1cc(C(=O)c2cn(-c3ccccc3)cc2-c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 1857583428 NIILBONQLZJLOQ-UHFFFAOYSA-N 458.470 5.309 5 1 JKBF COc1c(O)cc2oc3c(CC=C(C)CCC=C(C)C)c(O)cc(O)c3c(=O)c2c1CC=C(C)C 2356598252 KPJUYIVPJIWJIC-UHFFFAOYSA-N 478.585 6.816 5 1 JKBF CC1(C)C=Cc2c(c3ccccc3c3oc4c(c(=O)c23)[C@@H]2OC(C)(C)C(=O)O[C@@H]2c2ccccc2-4)O1 2356663226 YUVPEGVEHZJQDJ-SXOMAYOGSA-N 480.516 6.245 5 1 JKBF C[C@@H](COc1cccc([N+](=O)[O-])c1)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 198905716 CTDFIBIHOSZTDM-JOCHJYFZSA-N 460.574 5.258 5 3 JKBF C[N+](C)(C)c1cccc(C(=O)OCCCCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)c1 27078708 UGTRFTSGBTUDHR-UHFFFAOYSA-N 466.602 6.334 5 1 JKBF CC1CCN(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 105176682 ZGDVPMWOZCDFSS-MZGVDSNGSA-N 477.609 5.407 5 1 JKBF c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/CCC23CCCN2CCC3)cc1 299821602 LFEVQCYKCTUSAK-BFYITVNDSA-N 499.662 6.793 5 1 JKBF CCCCCOc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br 587048303 RZMORGVEFFDBAE-VURMDHGXSA-N 464.747 6.626 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587262695 HKHVASWPJPHPIE-OAHLLOKOSA-N 463.515 5.974 5 1 JKBF Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587540455 AITFLANBBQLZPK-IGKIAQTJSA-N 487.895 6.168 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 587736813 XBZUQAULXRTCLT-AMXDTQDGSA-N 491.357 6.410 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 587750860 JXWURPITCNSURH-LFVRLGFBSA-N 471.326 5.699 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2ccc3c(c2)oc(=O)c2ccccc23)N1 587842132 PGYNIRRAQITYIK-SXBQZSJRSA-N 482.349 5.676 5 1 JKBF Clc1ccc(-c2nn(Cc3ccccc3)cc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 1772577828 OUBYAHBWTBQULB-UHFFFAOYSA-N 486.966 6.892 5 1 JKBF COc1ccc([N+](=O)[O-])cc1Nc1nc2c(s1)CCCCc1nc(NC(=O)C(C)(C)C)sc1-2 209984155 HHUBRONSUNLCJT-UHFFFAOYSA-N 487.607 5.790 5 3 JKBF O=C(Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)Nc1cccc([N+](=O)[O-])c1 96167986 JUWXBFDNHOAICA-UHFFFAOYSA-N 480.424 5.058 5 1 JKBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCCCCC[N+](C)(C)C)[C@H]1c1ccccc1C(F)(F)F 169714277 QBNKIZCQSBLZBC-GMAHTHKFSA-N 497.578 5.137 5 1 JKBF CCOc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc(Br)c1OC 586976788 BWWHYVGFUFGMLD-SNAWJCMRSA-N 452.692 5.465 5 1 JKBF O=C1c2ccccc2-c2c(CCc3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)nc3cccc1c23 587103839 BPBISIGJCPFSQZ-UHFFFAOYSA-N 456.501 6.807 5 1 JKBF COC(=O)c1ccc(Oc2ccc3nc(-c4cc(-c5cccc(F)c5C)cc([N+](=O)[O-])c4)[nH]c3c2)cc1 587137263 WLHMKRLECBEVAJ-UHFFFAOYSA-N 497.482 6.832 5 1 JKBF Cc1ccc2oc3nc(C)c([C@@]4(C)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc3c(=O)c2c1 587585313 DDDNVXBKBYWEJO-PWUYWRBVSA-N 479.488 5.541 5 1 JKBF COc1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2nc3ccccc3n2C)cc(OC)c1OC 587647914 SSMKTYAYEIASFH-UHFFFAOYSA-N 458.474 5.323 5 1 JKBF O=c1c(Cl)c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(-c3ccc(Cl)cc3)c(Cc3ccccc3)nn12 1857612963 HASWKUHILSEJKD-UHFFFAOYSA-N 491.334 6.162 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c(oc5ccccc54)c(N(C)CCCN(C)C)c3c2)cc1 1857756534 HEBHGPGUWIOFNQ-ZHACJKMWSA-N 481.665 7.414 5 1 JKBF Cc1cccc(C(=O)O[C@@H](C)c2cccc3nc4c(C(=O)O)cccc4nc23)c1OCc1ccccc1 29414477 OXRHQJLPMGIUBZ-IBGZPJMESA-N 492.531 6.287 5 1 JKBF Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174326 PZQHVBRRZMFLGS-SNLNFDIBSA-N 463.607 6.275 5 1 JKBF COc1ccc(-c2cc(-c3cc4c(ccc5ccccc54)oc3=O)nc(Cc3ccc(F)cc3)n2)cc1 473137625 YJNSVCKFZVQZFZ-UHFFFAOYSA-N 488.518 6.809 5 1 JKBF Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626962 YTDKMGSXYBSFKD-UHFFFAOYSA-N 483.162 6.557 5 1 JKBF O=[N+]([O-])c1ccc(-n2cc(CO[C@H](c3cccs3)c3cc4ccccc4nc3Cl)nn2)cc1 1857553446 ZBJKXJLWUYHFQF-QFIPXVFZSA-N 477.933 5.745 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NCc3ccccc3F)ncc2-c2ncc(-c3ccccc3)s2)cc1 82174771 DYTGRUYYGXJABR-UHFFFAOYSA-N 483.528 6.594 5 1 JKBF CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 96905787 OMHVJTVYTGPUPG-VWLOTQADSA-N 469.476 5.284 5 1 JKBF C[N+](C)(C)CCCCCCCCCCn1c(-c2ccccc2)cc(=N)c2ccc3ccc(N)cc3c21 169721866 KGCZCAVBXYUHTB-UHFFFAOYSA-N 483.724 7.350 5 1 JKBF O=C(Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)s1)c1ccccc1[N+](=O)[O-] 299824374 ASCPHIRAARYIGT-UHFFFAOYSA-N 463.431 5.066 5 1 JKBF COC(=O)c1ccc(Oc2ccc3nc(Cc4ccc(C(F)(F)F)cc4[N+](=O)[O-])[nH]c3c2)cc1 587109333 HTEAPZQJGBIDTL-UHFFFAOYSA-N 471.391 5.660 5 1 JKBF CCC[C@@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199206 ABYCLJHHNKTKIZ-VWLOTQADSA-N 470.529 6.193 5 1 JKBF CC(C)Oc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br 587267468 ZRDXGYCLPMZLDG-JTQLQIEISA-N 464.276 5.102 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)CC2=O 587489714 DBUKOVVNNIUNHD-QFIPXVFZSA-N 469.946 6.764 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)N1 587743300 AJFCCIYYSWXUNY-LAJNKCICSA-N 461.287 5.292 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1 587747853 QLEPYZQOEIFLPM-DMZKTXOQSA-N 457.299 5.912 5 1 JKBF COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@H]2NCCc3c(Cl)cc(Cl)cc32)c1 963105439 JIHIONZXDHIUBF-QHCPKHFHSA-N 491.396 6.305 5 1 JKBF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2ccc([N+](=O)[O-])c(Cl)c2Cl)N1 963184797 UCRFXSVSKAZGCY-XHDPSFHLSA-N 469.630 5.262 5 1 JKBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(-c3cccc(C(F)(F)F)c3)cc(Cl)cn12 1857773100 JBQADEAKGZNWEO-UHFFFAOYSA-N 495.866 5.556 5 1 JKBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCOc1ccccc1 4216159 BYDVRFLSASKNRC-DHIUTWEWSA-N 473.957 5.457 5 1 JKBF COc1ccc2oc(=O)c3c(c(-c4ccc(O)c(OC)c4)c4c5cc(OC)c(O)cc5ccn43)c2c1 28521695 BAHMPEUXEKDLLN-UHFFFAOYSA-N 483.476 5.456 5 1 JKBF CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 29479763 REPLDDGMOISVCL-AREMUKBSSA-N 474.605 6.494 5 1 JKBF C[C@H]1CCCCN1CCCN(Cc1c2ccccc2cc2ccccc12)C(=O)c1ccccc1Cl 45316884 YFWMUTJNTUPSOG-QHCPKHFHSA-N 485.071 7.553 5 1 JKBF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587034218 DPGWZGCVEFIWKU-GOSISDBHSA-N 451.555 6.145 5 1 JKBF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587107988 FXNPRTJRXHRFCY-NRFANRHFSA-N 495.526 6.414 5 1 JKBF Cc1cc2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1[N+](=O)[O-] 587193427 AAEKOYIXQPTINX-UHFFFAOYSA-N 456.502 5.203 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 587342635 OTCUTENSGRVXRE-VPUSJEBWSA-N 455.441 5.742 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 587542369 IWMBOTUMDJBRIH-ZJSXRUAMSA-N 463.829 5.917 5 1 JKBF CN(c1ccccc1)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587575322 JCIYZSPQCMOPIR-SQHAQQRYSA-N 468.465 5.771 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 587577581 SXFBMUAFFWJRIP-ZEQKJWHPSA-N 456.454 5.439 5 1 JKBF O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1772601223 CIHIMGASXBUGDG-KOMQPUFPSA-N 491.388 6.144 5 1 JKBF CC(C=CC=C(C)C=C[C@@]1(O)[C@@H](C)CC(=O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C(=O)O 2356428275 FDJMTBRSNJXYKT-FREGXXQWSA-N 464.646 6.837 5 1 JKBF Cc1ccc(SC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 13740488 KBYHRISSWBEZAH-GWLGBLMRSA-N 486.590 5.710 5 1 JKBF CCCCCCN(CCCCCC)C[C@@H](O)c1cccc2c1cc(Br)c1ccccc12 169336898 NBFXHZRVQKVAEN-MUUNZHRXSA-N 484.522 8.252 5 1 JKBF FC(F)(F)c1cc(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(C(F)(F)F)c1 587110681 GXGIGMGGHWWSAH-UHFFFAOYSA-N 460.381 6.482 5 1 JKBF COc1ccc2c(c1)CC[C@H](c1ccc([N+](=O)[O-])cc1)[C@@]21c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962621504 HBFJLGIWPZJPRH-ITSQUCNPSA-N 488.584 5.471 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@@H]3c3ccco3)c2c1 1857646338 XYXNFGORFILAEA-XMMPIXPASA-N 467.978 5.141 5 1 JKBF COc1cc(/C=C\c2ccc(OC)c(OCc3ccc([N+](=O)[O-])s3)c2O)cc(OC)c1OC 1911581252 NTGQTTVWUIZFIV-WAYWQWQTSA-N 473.503 5.146 5 1 JKBF COC(=O)c1ccc(-c2ccc3c(-c4ccc(C(C)(C)C)cc4)cccc3c2)c(C[N+](C)(C)C)c1 95598651 PRTKJVNBAALQJZ-UHFFFAOYSA-N 466.645 7.464 5 1 JKBF COc1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc([N+](=O)[O-])c1O 104034118 BGHCOHJMARRHNQ-ZLOXQWCVSA-N 463.515 6.000 5 1 JKBF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc3ccccc3c3ccccc23)cc1 169702680 HDZVCRRNZWASJY-UHFFFAOYSA-N 467.472 5.512 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(C)c1[N+](=O)[O-] 587267260 HUIRKDAIZGJPGK-UHFFFAOYSA-N 494.271 5.781 5 1 JKBF COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc3cnc4ccccc4c23)cc1 1772637225 GNLAKKWOVWESIP-UHFFFAOYSA-N 498.426 8.163 5 1 JKBF O=C(OCCC1CCCCC1)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081614 HOPOXLSVAVMGDH-SFHVURJKSA-N 471.579 5.084 5 1 JKBF CCN(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82150324 GWVOVTQHTLUWPZ-PMACEKPBSA-N 473.577 5.196 5 1 JKBF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c5ccccc5c5ccccc5c4[nH]3)CC2)cc1 586954781 IODNIOHFGXDRMQ-UHFFFAOYSA-N 483.637 6.561 5 1 JKBF O=c1c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc(Br)cn1Cc1ccccc1 587005958 BSTJLLLIKLZMSX-UHFFFAOYSA-N 480.365 6.509 5 1 JKBF O=[N+]([O-])c1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1Cl 587120106 RHCNNMWIAFPAHA-UHFFFAOYSA-N 458.787 5.520 5 1 JKBF CC(C)Oc1cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2cc1Br 587271222 ATABIGRMBWQPNS-UHFFFAOYSA-N 468.307 6.480 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)N1 587726625 YKZAALMDMUCASR-XFNZEKPQSA-N 493.279 6.191 5 1 JKBF O=C(C[C@]1(c2ccc([N+](=O)[O-])cc2)NC2(CC2)Cc2ccc(Br)cc21)Nc1ccccc1 961613947 JCCUAAPQXCQKHS-RUZDIDTESA-N 492.373 5.308 5 1 JKBF C[C@H](CSc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857560634 BRVTWJBORDYLFT-SNVBAGLBSA-N 452.376 5.999 5 1 JKBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C1(c2c(C)[nH]c3ccc([N+](=O)[O-])cc23)C(=O)Nc2ccccc21 84617467 MIANTHWUEXMSLL-UHFFFAOYSA-N 481.468 5.369 5 1 JKBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1Cl 587047531 KAEQZLRCXIEWIO-VQHVLOKHSA-N 484.737 6.636 5 1 JKBF Cc1cc2[nH]c(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2cc1[N+](=O)[O-] 587116766 APBTXRSZBOINFC-LLVKDONJSA-N 490.511 6.108 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267054 DYRARWPVSMHSNJ-UHFFFAOYSA-N 494.271 5.781 5 1 JKBF COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1[N+](=O)[O-] 587573935 DPMBPMYCKDIUGL-SQHAQQRYSA-N 497.459 5.457 5 1 JKBF C[C@@]1(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576725 PJQYQVHDTDOIQB-LSYYVWMOSA-N 483.476 5.756 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SCc2ccco2)c([N+](=O)[O-])c1 587612359 JPYRSQFHXGDWKK-WIOPSUGQSA-N 475.478 5.889 5 1 JKBF CC[N+](C)(C)CCN[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OC(C)C)OC(C)C 1857547966 PZWHVWKFYQSSJG-RUZDIDTESA-O 499.697 6.715 5 1 JKBF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(O[C@@H](C)c2ccc([N+](=O)[O-])s2)c1O 1911572296 UTJJJHQJJOVLGJ-AFNCTOJWSA-N 487.530 5.707 5 1 JKBF O=C(O)/C=C/c1ccc(Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2ccc(/C=C/C(=O)O)cc2)cc1 72107072 JLIDDQUGXUZISJ-ACFHMISVSA-N 497.467 5.221 5 1 JKBF COc1ccccc1CCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149192 VWMHTWBWFTVRSI-UHFFFAOYSA-N 489.576 5.120 5 1 JKBF CCCCCC[N+](CCCCCC)(CCCCCC)Cc1ccc(C(=O)c2ccccc2)cc1 299844730 WGMKKKLEVOFBOD-UHFFFAOYSA-N 464.758 8.975 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(Br)cnc(Br)c2[nH]1 586968585 GCZOGYATOVMGKY-UHFFFAOYSA-N 486.189 5.806 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1F 587075737 JXPSSKSEPDMWKG-PTNGSMBKSA-N 470.891 6.966 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)[C@@H]1c1ccc(F)cc1 587342426 NJMPKFFDHYPBQD-NAKRPHOHSA-N 495.466 5.390 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)O)c(F)c3)cc1[N+](=O)[O-])CC2=O 587467486 SPNGCVBJYSTBGT-QHCPKHFHSA-N 465.433 5.464 5 1 JKBF COc1ccc(Nc2ncnc3c2[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(ccc4ccccc24)O3)cc1 1772572124 PIGOPJAPUAFFOI-DEOSSOPVSA-N 476.492 6.576 5 1 JKBF C[C@H](c1ccccc1)c1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1-c1ccc(Cl)cc1 1857533714 OSOFNSYTTLDIOI-MRXNPFEDSA-N 470.916 6.070 5 1 JKBF CCN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 40913363 ZPZOBQGQLRJMNP-UHFFFAOYSA-N 498.627 5.158 5 1 JKBF COc1cccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)c1 104096876 MNBGMWLBTQHLOC-RKOGDMNLSA-N 485.496 5.961 5 1 JKBF CC(C)CCOc1ccc(Br)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586982010 YKAPEOBYASGWQC-UHFFFAOYSA-N 483.160 6.088 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587070518 HNMAFJUPQAJGBF-UHFFFAOYSA-N 458.699 6.133 5 1 JKBF Clc1cccc(COc2ccc(/C=C\c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)c1 587071583 PKOWJSOCPCDEQO-VKAVYKQESA-N 460.964 8.272 5 1 JKBF CCOC(=O)c1cc(Br)c2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc2c1 587269832 HJEMIPCFHVXIFG-UHFFFAOYSA-N 467.279 5.139 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1Cl 587542303 INKZAQXZFIUITF-QPPBQGQZSA-N 462.845 5.447 5 1 JKBF CCCCCn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccccc2OC)c2ccccc21 587647621 KLISAVNKUWMNOQ-UHFFFAOYSA-N 453.542 7.564 5 1 JKBF Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccccc4)[nH]c4cc([N+](=O)[O-])ccc34)c12 587648337 CWIUUSKWYKVRRX-UHFFFAOYSA-N 454.442 5.684 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])C(C)(C)OC2(C)C 587747791 QCVKCGYIYPFPPO-LTVNIISESA-N 489.385 5.897 5 1 JKBF O=C1c2ccccc2[C@@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c2cccc([N+](=O)[O-])c21 962957363 NGRXHTZNQNDDOG-SANMLTNESA-N 494.469 5.101 5 1 JKBF O=C(c1ccncc1)N(CCc1ccccc1)c1c2ccccc2c(=O)n2c1[nH]c1ccccc12 1857768094 HEFGJJNVMMQZCY-UHFFFAOYSA-N 458.521 5.219 5 1 JKBF COc1cc2oc3cc(OC)c(OC)c(CC=C(C)C)c3c(=O)c2c(OC)c1CC=C(C)C 61389540 RFUSYMXYRAILPB-UHFFFAOYSA-N 452.547 5.998 5 3 JKBF biogenic,in-vitro CN(C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1 82135469 KEWLKMUJAQXPKH-UHFFFAOYSA-N 493.995 5.765 5 1 JKBF Cc1ccc(-c2ccc(Cn3ccc4cc(C(=O)N[C@@H](C)c5ccc([N+](=O)[O-])cc5)ccc43)cc2)cc1 198683106 UEVUIANBUFWJBQ-QFIPXVFZSA-N 489.575 7.064 5 1 JKBF O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc([N+](=O)[O-])cc1 205070094 FLTDSEFLYYGPFG-UHFFFAOYSA-N 471.321 7.057 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586968276 BGHJIZUNACJIKI-UHFFFAOYSA-N 490.301 6.547 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cccc(I)c2[nH]1 586969400 RDMYQVDWEFPIJK-UHFFFAOYSA-N 453.305 5.491 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3[nH]1)(c1ccc([N+](=O)[O-])cc1)CC2=O 587472562 JVNDGYDJGLWZIT-SANMLTNESA-N 457.486 5.233 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2[N+](=O)[O-])N1 587681910 SINGRKSXJKABST-HUTHGQBESA-N 458.125 5.057 5 1 JKBF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 774735 ZOYZWWSUOHDMBS-SJKOYZFVSA-N 478.332 5.360 5 1 JKBF COc1cccc(Cn2ccc3cc(-c4ccccc4)ccc32)c1Oc1ccc([N+](=O)[O-])cc1C(=O)O 72141365 YXJGFXIXETXYFV-UHFFFAOYSA-N 494.503 6.764 5 1 JKBF O=C(NCc1ccccc1)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 82135625 QQEVLEIKKJDFSK-UHFFFAOYSA-N 473.920 5.247 5 1 JKBF O=[N+]([O-])c1cccc(-c2nc(NCCOc3ccccc3)ncc2-c2ncc(-c3ccccc3)s2)c1 82163598 MWGJFNPFHDTZIC-UHFFFAOYSA-N 495.564 6.333 5 1 JKBF Cc1c(-c2nc3c(Br)ccc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980430 YQENRXFVIRWKKH-UHFFFAOYSA-N 489.949 5.734 5 1 JKBF CCCCCCOc1ccc(Br)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 586982372 UDJWZCJHZFZZCJ-UHFFFAOYSA-N 475.390 7.048 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 587054764 BILWLEWDNUKGBN-UHFFFAOYSA-N 483.105 6.379 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 587092325 DEWAHGXFMMQQMF-UHFFFAOYSA-N 454.124 5.938 5 1 JKBF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587158072 IOGSIUNPLXCKPD-UHFFFAOYSA-N 456.271 5.639 5 1 JKBF CCCCOc1cc2nc(-c3ccc(NCCOC)c([N+](=O)[O-])c3)[nH]c2cc1Br 587261996 LIRBZUSWVOBLPX-UHFFFAOYSA-N 463.332 5.138 5 1 JKBF C[C@@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332615 RODHFNMJKMOGGJ-VWNXMTODSA-N 484.867 5.239 5 1 JKBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587578751 XJWCDLPBYSJJKW-RCZVLFRGSA-N 459.410 5.272 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)N1 587692981 BSNYKYLULMPKAD-MQJDWESPSA-N 495.732 5.945 5 1 JKBF Cc1c(F)ccc2c1[C@]1(NCC2)c2ccccc2CC[C@H]1c1cc(Cl)c([N+](=O)[O-])cc1Cl 962371019 FXPORQLIZYFKHS-DFBJGRDBSA-N 471.359 6.468 5 1 JKBF O=C(CCNC1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1csc2ccccc12 71280991 QMTZVARKJRJYBY-UHFFFAOYSA-N 477.508 5.660 5 1 JKBF CS(=O)(=O)c1ccc(C2=C(c3ccccc3Cl)C(=O)O/C2=C\c2cccc([N+](=O)[O-])c2)cc1 96929030 SVIHKQPNJWFGOY-STZFKDTASA-N 481.913 5.160 5 1 JKBF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c3ccccc3c3ccccc3c2[nH]1 586938117 VBABTDBLICHOSY-HSZRJFAPSA-N 489.666 6.259 5 1 JKBF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 586945219 DFIFOQBSVSPKLG-SFHVURJKSA-N 471.582 5.302 5 1 JKBF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc5nc6ccccc6nc5cc4[nH]3)c(Cl)cc12 587078335 OGNOMVHWHLZZIJ-AWEZNQCLSA-N 484.943 6.512 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(C)cc3[N+](=O)[O-])c(OC)c1)CC2=O 587472367 HOWNDUQPZLXUEH-VWLOTQADSA-N 477.513 5.855 5 1 JKBF COc1ccc(-c2c(C)c(-c3ccccc3Br)nc3cnc4ccccc4c23)cc1 1772626685 STZTYMACKQXRRT-UHFFFAOYSA-N 455.355 7.197 5 1 JKBF COc1ccc2c(c[n+]3c4c2cc(Cc2ccc(C(C)C)cc2)c2c5c(cc(c24)CC3)OCO5)c1OC 1857537081 FEYZQLGKXVXAJK-UHFFFAOYSA-N 492.595 6.450 5 1 JKBF COc1ccc(Cl)cc1/C=C/c1nnc(-c2cccc3c(=O)c4ccccc4c(O)nc23)o1 1857755221 JXVSBWYJJQQJSN-FMIVXFBMSA-N 457.873 5.336 5 1 JKBF COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCC2CCCCC2)c([N+](=O)[O-])cc1OC 2481103 OUFDNEDFGQQERO-UHFFFAOYSA-N 499.951 5.898 5 1 JKBF CC(C)C[C@@H](NC(=O)[C@@H](COc1ccc([N+](=O)[O-])cc1)Cc1ccccc1)C(=O)Nc1ccccc1 5837660 UVQXHBQLIZCPJS-ATIYNZHBSA-N 489.572 5.002 5 1 JKBF O=C1[C@H](Oc2ccccc2)[C@H](c2ccccc2)N1c1cc2c3ccccc3ccc2c2ccccc12 29251118 YPPPSLAAJRMTOB-AJQTZOPKSA-N 465.552 7.682 5 1 JKBF O=[N+]([O-])c1ccc(NC(=S)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 71318963 BOFLVZQJOKZEAF-UHFFFAOYSA-N 477.549 6.681 5 1 JKBF Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)n1 73224976 CNDMUKLWRJVWRT-UHFFFAOYSA-N 452.449 5.293 5 1 JKBF Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc3c4ccccc4nc-3c2O)cc1 100705708 LBZMQIHBMAMJSN-UHFFFAOYSA-N 485.525 5.178 5 1 JKBF CC(C)(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1c4ccccc4cc4ccccc14)[C@@H]23 299837057 PCMMRMMJEFTVIK-DXJIOXPFSA-N 470.701 6.609 5 1 JKBF O=C(O)c1cc2[nH]c(-c3cccc(CO)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586895339 XGRLGYXNLQPBEF-UHFFFAOYSA-N 478.460 5.004 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)c(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n3ccccc13)O2 587376542 SDQMZGYNIPALJB-QFIPXVFZSA-N 489.915 5.637 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1ccc([N+](=O)[O-])cc1C(=O)OC)CC2=O 587473199 QXVUTMXWFAZBDR-XMMPIXPASA-N 477.469 5.538 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 587744283 CUGVWWSXACGIJO-FFUDGTDTSA-N 478.318 5.492 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1 587750624 JERLJCDNMXGQDY-PSLXWICFSA-N 471.326 5.699 5 1 JKBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 587864548 OUBZDSYDWVBXJM-UHFFFAOYSA-N 484.228 5.327 5 1 JKBF Cc1ccc(-n2c(C)nc3c(-c4ccc(Br)cc4)nc4ccccc4c3c2=O)cc1 28646073 XFMHFWCTJFLVHZ-UHFFFAOYSA-N 456.343 5.980 5 1 JKBF CCCOCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174068 DWVBETUPYBPABK-UHFFFAOYSA-N 475.574 6.071 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(Br)ccc(Br)c2[nH]1 586968835 JZLUGDOYCRZVPB-UHFFFAOYSA-N 485.201 6.411 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587047740 LSEUYVMTWZUMDQ-UHFFFAOYSA-N 463.118 6.874 5 1 JKBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1cccc(Cl)c1 587072082 TXUHSYBLZWSJEU-HNNXBMFYSA-N 495.761 5.696 5 1 JKBF Cc1cc(N(C)Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c([N+](=O)[O-])cc1F 587136593 HFJBMQGCULMPAL-UHFFFAOYSA-N 477.212 5.216 5 1 JKBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1F 587139606 LWADXISTTNMNGP-UHFFFAOYSA-N 454.561 5.592 5 1 JKBF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1ccc(F)cc1 587328410 UJCLOBHLRJDGAL-XNMGPUDCSA-N 489.886 6.396 5 1 JKBF C[C@@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617836 LBTDEMWZFVLSKE-XXBNENTESA-N 480.523 5.423 5 1 JKBF COc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c(C)c1[N+](=O)[O-] 587691094 BWEPCWCAVFBQGN-HOGDKLEQSA-N 457.727 5.265 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)N1 587696613 QBALAUPPFCJDIS-MCMMXHMISA-N 475.745 5.976 5 1 JKBF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@]3(CCCC[C@H]3c3ccc([N+](=O)[O-])c(Cl)c3)N12 962657961 DPTZEJNYLBUQQU-AFWDCEBSSA-N 479.964 5.448 5 1 JKBF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 962967656 BSKQOYZHLBEXEK-GBXCKJPGSA-N 497.885 5.218 5 1 JKBF COc1cc(Oc2c(O)cc(OC)c3c2ccc2cc(O)ccc23)cc2c1-c1ccc(O)cc1CC2 13378521 RZEWBLKZBGFDET-UHFFFAOYSA-N 480.516 6.685 5 1 JKBF biogenic,in-vitro COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(OCc4ccccc4)cc3)oc12 299859910 IMQYKQIOGUZSFO-UHFFFAOYSA-N 468.505 6.218 5 1 JKBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)c(Br)cc2[nH]1 587267238 VVCMULOCDXHZBR-ZETCQYMHSA-N 485.092 5.077 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c3ccccc3cc3ccccc23)(C(F)(F)F)N1 587709345 LGPPETJISCLXJN-JBEBIEQOSA-N 488.322 7.235 5 1 JKBF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(F)(F)F 587712896 RHJVGAPBWLCTCQ-LZVRBXCZSA-N 493.251 5.070 5 1 JKBF CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587726879 LXBNVFPPMXRXOA-ZLOXQWCVSA-N 488.332 5.503 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cccc3ccc4ccc5cccc2c5c4c13 587825251 BXLMFLZEESWPQY-OAHLLOKOSA-N 468.369 7.187 5 1 JKBF C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C 82135623 MNFMCIFMFNZKLB-LFUSFCIXSA-N 485.588 5.464 5 1 JKBF CCO[P@](=O)(Cc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1)c1ccccc1 169346776 JTAWGELRNFFWCF-UUWRZZSWSA-N 474.457 5.936 5 1 JKBF O=C(NCCCNc1nc2cccc(Br)c2c2[nH]c3ccccc3c12)Nc1ccccc1 169348180 SXLPPTIJSNEWMK-UHFFFAOYSA-N 488.389 6.256 5 1 JKBF CC(C)OC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103696 AAZNMRZZZAPLIB-OEAKJJBVSA-N 464.477 5.847 5 1 JKBF COC(=O)c1cc(Br)c2[nH]c(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)nc2c1 587135461 BUDFLYDSJKHYTR-UHFFFAOYSA-N 484.281 5.802 5 1 JKBF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587147193 KPOMGRHLRMMMCJ-UHFFFAOYSA-N 464.456 5.839 5 1 JKBF CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cncc([N+](=O)[O-])c2[nH]1 587221368 FMSLCKKVKQOVEC-HSZRJFAPSA-N 499.571 6.272 5 1 JKBF Cc1oc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1[N+](=O)[O-] 587268537 CNZQFBPZHAUOTO-UHFFFAOYSA-N 497.419 5.322 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2[N+](=O)[O-])N1 587678190 JTTXDUSHLDLSKS-XYZCENFISA-N 458.125 5.057 5 1 JKBF C[C@@H](CC(=O)O)[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587691355 DWDHYJATGAKPOP-JHTDMNASSA-N 485.737 5.038 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)Nc2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 587746334 JNPPOODCAXFUGL-MYYSRTQBSA-N 498.352 5.303 5 1 JKBF CCOC(=O)c1ccc(-n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)c([N+](=O)[O-])c1 587860270 PJMLFWOUVGYNCB-UHFFFAOYSA-N 450.278 5.330 5 1 JKBF COc1oc([C@H]2C[C@]3(CO2)[C@H]2C(C)=CC(C)=C[C@@]2(C)[C@H]3c2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C 3985915 DXCYJJKWPZZHNZ-PAWAVCGOSA-N 477.557 5.947 5 1 JKBF in-vitro CCCCn1c(=O)c2cc(OC)ccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)c(OC)cc21 71318081 VPLUJEBEXYMJLL-UHFFFAOYSA-N 477.401 5.284 5 1 JKBF O=[N+]([O-])c1cc2c(cc1[C@@H]1Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C31)OCO2 103945402 HMFJBEIIVBFPCL-RZFZLAGVSA-N 461.499 6.014 5 1 JKBF O=C(O)c1ccc2oc3ccc(OC[C@H](O)CSC45CC6CC(CC(C6)C4)C5)cc3c(=O)c2c1 169321968 IVWMSBZCSAEHAV-WXAMATCBSA-N 480.582 5.086 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 587340456 HTGOKWPAIQCIRV-VPUSJEBWSA-N 455.441 5.742 5 1 JKBF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 587340459 HTGOKWPAIQCIRV-XNMGPUDCSA-N 455.441 5.742 5 1 JKBF O=C1C[C@H](c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c2)Oc2c1ccc1c2CCCC1 587530805 HKXXTBJRWYDNEE-RUZDIDTESA-N 477.538 5.154 5 1 JKBF O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1cccs1)c1ccccc1 3976408 ZGAIDOGAKIQCJU-FJOOJYTASA-N 467.680 6.195 5 1 JKBF Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82163451 LTGURFIUBNVNGK-UHFFFAOYSA-N 469.526 6.356 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Br)cnc(Cl)c2[nH]1 587053159 BULYGPBCJWOGLN-GFCCVEGCSA-N 487.141 5.063 5 1 JKBF C[C@@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350843 FOIKWKHPMWVISM-CDZUIXILSA-N 472.515 7.703 5 1 JKBF O=C(Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1cccc([N+](=O)[O-])c1 587578747 XJVQZGCUVLFNQJ-ZEQKJWHPSA-N 483.432 5.223 5 1 JKBF CCOC(=O)CCCCCC[C@]1(c2ccc(OC)c([N+](=O)[O-])c2)c2ccc(F)cc2C[C@@H]2CCCN21 963104562 LYBQCEDFJBWMMN-FIPFOOKPSA-N 498.595 5.910 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](c1ccc(C)cc1)C1=C(COC1=O)N3 1772657237 FBJNZYVYBXMIOJ-SANMLTNESA-N 497.547 5.704 5 1 JKBF COC(=O)c1cccc2nc3c([C@H](O)[C@@H](CCCCCCC(C)C)C(=O)OC)cccc3nc12 2356383899 DQBJQIJYPPAUEG-NLFFAJNJSA-N 466.578 5.389 5 1 JKBF C[N+](C)(C)c1ccc(CC(=O)OCCCCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1 13524893 PULDWPZBKAYVEW-UHFFFAOYSA-N 480.629 6.263 5 1 JKBF Cc1nc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163404 JXPXYZANQRBMIM-UHFFFAOYSA-N 485.491 6.423 5 1 JKBF CCOc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1ccccc1 96285585 XWASUCRWVKVQKM-UHFFFAOYSA-N 459.546 5.625 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccn12 587577018 QSOKFXBZNUJNIM-AJTFRIOCSA-N 479.448 5.318 5 1 JKBF CCc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 2483057 GZXZWGGDAVBETD-UHFFFAOYSA-N 493.922 6.244 5 1 JKBF CCN(CC)C(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2sc2cc(N(C)C)ccc12 40429602 IAMGFRHNTUDVDT-UHFFFAOYSA-N 458.651 5.253 5 1 JKBF Cc1ccccc1C(=O)Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)s1 299833783 WMVTVQQDHAKAPD-UHFFFAOYSA-N 477.458 5.375 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)ccc1Sc1nc2ccccc2s1 587038318 QOGLMKRMCLLPRW-UHFFFAOYSA-N 458.568 6.778 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1[N+](=O)[O-] 587063893 CFBGFFICMJFIDK-UHFFFAOYSA-N 477.864 5.733 5 1 JKBF Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587117826 JGTLZHPSMZNVLZ-SNVBAGLBSA-N 476.484 5.799 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c1)CC2=O 587468975 FRODFFSFYFKYOP-AREMUKBSSA-N 477.513 5.855 5 1 JKBF O=C(c1ccc(Cl)cc1)c1ccc(Oc2cc(NN3CCCCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 15936818 XKWJDXXVWVRGRZ-UHFFFAOYSA-N 496.907 5.993 5 3 JKBF O=C(Nc1ccccc1)OC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1 28825003 SQJLOAXUMCWUAR-UHFFFAOYSA-O 455.687 5.425 5 1 JKBF O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1 35850379 FBEVLWNHYOEBFH-KGVSQERTSA-N 468.391 5.520 5 1 JKBF Cc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1C 72178386 UXYRVBJYIWDPAT-RUZDIDTESA-N 489.000 7.344 5 1 JKBF C[N@@+]1(Cc2ccc(-c3ccccc3)cc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 254132922 QDCILXFPWMMNQY-HRTQWJDESA-N 456.606 5.313 5 1 JKBF O=C1c2ccccc2-c2cc(-c3cc(Br)cc([N+](=O)[O-])c3O)nc3ccc(O)c1c23 586984671 NYEIGBBIOZMSKI-UHFFFAOYSA-N 463.243 5.195 5 1 JKBF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc3nc4ccccc4nc3cc2[nH]1 587086880 NPURSQQWINWPPH-ZHACJKMWSA-N 485.378 6.690 5 1 JKBF O=C(NCc1ccccc1F)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2480202 FJMBCQADSKJNSX-UHFFFAOYSA-N 469.831 5.778 5 1 JKBF CC(C)c1cc(C(=O)Nc2ncc([N+](=O)[O-])s2)c(OC(=O)c2ccccc2)c(C(C)C)c1 95559085 DQTIHQQYLWHBJS-UHFFFAOYSA-N 453.520 5.770 5 1 JKBF O=[N+]([O-])c1c(Cl)c(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl 103284034 YSOUPTDYVOSZMD-UHFFFAOYSA-N 499.538 6.639 5 1 JKBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc12 586948069 BYTCQKYZBUERQS-UHFFFAOYSA-N 487.497 5.126 5 1 JKBF O=C(Nc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1)c1ccc(Br)cc1 586983974 BIHHANFLAORTBF-UHFFFAOYSA-N 482.250 5.061 5 1 JKBF Cc1c(OCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc2c1oc(=O)c1ccccc12 586993886 KXFOJYPGHJSQFS-UHFFFAOYSA-N 485.495 6.299 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587069063 DCCZVQHXGYDRRX-WDZFZDKYSA-N 484.737 6.636 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)cc1 587272511 NJZLWNPQMLIPJG-UHFFFAOYSA-N 467.325 6.968 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(-c3ccccc3)c2c1 587619220 CHQCTAVJUJWBRI-UHFFFAOYSA-N 491.447 5.571 5 1 JKBF Cc1cc(OCc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1[N+](=O)[O-] 587746093 IZYDFOHAVSHFIM-MCMMXHMISA-N 475.314 5.600 5 1 JKBF CC(C)=CCC/C(C)=C\c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587967868 NAFODFHEAHHYQT-BOPFTXTBSA-N 494.547 6.995 5 1 JKBF O=C(O)Cc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccc(CC(=O)O)s2)s1 28474048 JKZIETFCILCHEP-UHFFFAOYSA-N 460.536 5.494 5 1 JKBF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82135778 IVPBWUWYUYYARS-IRXDYDNUSA-N 479.968 5.118 5 1 JKBF CCCC[N+]([O-])(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 169335714 OOVZPNULTIFKQO-MHZLTWQESA-N 487.471 7.671 5 1 JKBF COc1ccc(-c2nc3sc(-c4ccc(C)cc4)nn3c2-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 299863657 PMMWOIIPVGTJQX-UHFFFAOYSA-N 482.525 5.893 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587151686 SVOMKQXHUMJJOH-LJQANCHMSA-N 460.234 5.680 5 1 JKBF CC(C)CCOc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br 587267201 VKAVCFCRFJRJMA-LBPRGKRZSA-N 492.330 5.740 5 1 JKBF Cn1ccnc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325228 CWROOZMGVFJXKS-RDGATRHJSA-N 493.878 5.129 5 1 JKBF Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587696408 UERYEZMYIGPTJZ-PSLXWICFSA-N 489.772 6.284 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)N1 587747724 PVBJREOCNURIFF-PSLXWICFSA-N 470.342 5.888 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 587751288 LWQFPQRNCVZRAH-CRICUBBOSA-N 483.381 6.297 5 1 JKBF O=C(Nc1ccc(N=c2c3ccccc3[nH]c3cc([N+](=O)[O-])ccc23)cc1)Nc1cccc(F)c1 653774491 FMSJPUYXTXWJOH-UHFFFAOYSA-N 467.460 6.245 5 1 JKBF COc1ccc(Cn2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c(=O)c3cc([N+](=O)[O-])ccc32)cc1 1772630278 MGOZIXFSKVXJBY-UHFFFAOYSA-N 490.559 6.917 5 1 JKBF Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN21 13541240 AEMQDLSNILVURF-FLSMRUOLSA-N 499.592 5.030 5 1 JKBF CCN(CC)c1ccc2nc3c4cc(OCCCC(=O)O)ccc4c(=O)c(Br)c-3oc2c1 29123237 BNLXNEPIPVSFGG-UHFFFAOYSA-N 499.361 5.298 5 1 JKBF FC(F)(F)c1cc(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc(C(F)(F)F)c1 587110993 MDCBBPJYFLHTDB-UHFFFAOYSA-N 460.381 6.482 5 1 JKBF CC(C)COc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1Br 587269560 FVXGRHRBHDASDM-UHFFFAOYSA-N 467.323 5.997 5 1 JKBF C[C@]1(c2ccc(Br)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324464 ZKKOANIIJBILGI-RBBKRZOGSA-N 472.266 5.476 5 1 JKBF CC[C@@]1(CSc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369586 LLMDPCZWEJNUNE-UPVQGACJSA-N 453.491 5.740 5 1 JKBF Cc1c(F)ccc2c1[C@@]1(NCC2)c2ccccc2CC[C@@H]1c1cc(Cl)c([N+](=O)[O-])cc1Cl 962371025 FXPORQLIZYFKHS-KBMIEXCESA-N 471.359 6.468 5 1 JKBF COc1c([C@@H](O)CC(C)C)ccc2c1C(=O)Oc1cc(C)cc(OC(=O)[N+]34CCC(CC3)C4)c1O2 28463801 QIIGQPXXWRXUAP-UKKQALGZSA-N 482.553 5.147 5 1 JKBF CSc1ccc(Cc2nnc3sc(-c4ccc(-c5ccc(Cl)cc5[N+](=O)[O-])o4)nn23)cc1 40423281 NVVJNZBIPGGJTA-UHFFFAOYSA-N 483.962 5.987 5 1 JKBF O=S(=O)(NCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(Br)s1 586942703 PDBPVKFVIJGYMS-UHFFFAOYSA-N 472.389 5.172 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(Br)c2[nH]1 586948112 DUNXFHZEQSBPCC-UHFFFAOYSA-N 487.335 5.010 5 1 JKBF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c3ccccc3c3ccccc3c2[nH]1 586965651 UKJQRIDYKSZTDX-UHFFFAOYSA-N 453.575 5.326 5 1 JKBF O=C(COc1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1)Nc1ccccc1F 587153917 DWLUPTIZNWAYGS-UHFFFAOYSA-N 463.472 5.483 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)[C@H]1c1ccc(F)cc1 587339800 FPMRGUSPVARUOE-AHKZPQOWSA-N 472.472 5.975 5 1 JKBF CN(C)c1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587508829 FMUQNVXDZLFCPV-NDEPHWFRSA-N 486.524 5.147 5 1 JKBF CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC=C(C)C 2356582645 RMTXRSKFJQIXGO-UHFFFAOYSA-N 466.753 10.988 5 1 JKBF C/C(=C1/N=C(c2cc([N+](=O)[O-])ccc2Cl)N(c2cccc(C)c2)C1=O)c1cc2ccccc2oc1=O 5810950 MEYGLTXFAHMHGG-JLPGSUDCSA-N 499.910 5.888 5 1 JKBF O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1nc(Cl)c(C(F)(F)F)cc1Cl 31458321 KONQHUIVKIAMNI-UHFFFAOYSA-N 499.538 6.639 5 1 JKBF CCN(CC)CCC[C@H](C)Nc1c2c3ccccc3nc-2oc2ccc(Br)cc12 95577795 FBIKQJFKVHBKMY-INIZCTEOSA-N 454.412 6.771 5 1 JKBF CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]3[C@@H]2C1 195514533 SCFFICSANODMCT-ZOUFMRFDSA-N 471.557 5.909 5 1 JKBF CN(CCc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587194297 PJEUCMZHRHIVSN-UHFFFAOYSA-N 497.598 7.293 5 1 JKBF C[C@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350851 FOIKWKHPMWVISM-XDFJSJKPSA-N 472.515 7.703 5 1 JKBF O=[N+]([O-])c1ccc(Oc2c(-c3ccc(Br)cc3)[nH]c3ccc(F)c(Cl)c23)cc1 587628705 SZBXTNKIRUITSN-UHFFFAOYSA-N 461.674 7.090 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1 587844044 LRBWNQDRPCITKM-WHEQGISXSA-N 479.415 6.545 5 1 JKBF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134428 NFSPEYYCSADRKP-JTSKRJEESA-N 451.571 5.353 5 1 JKBF O=[N+]([O-])c1cccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@@H]32)c1 254129220 DIFMRIZVFMWUOY-AKPJXSIGSA-N 467.569 6.241 5 1 JKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587109850 OJPQASQBKSAYPC-UHFFFAOYSA-N 468.151 5.862 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2F)N1 587725209 CFYWOTVXJNJYQE-IPQOISQHSA-N 474.305 5.044 5 1 JKBF COc1cccc(COc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)cc2Cl)c1 653871683 PONWVUXRDFLVEH-UHFFFAOYSA-N 451.866 5.569 5 1 JKBF O=[N+]([O-])c1ccccc1OCc1ccc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)o1 962642610 UUUBXHQVXVDFQD-BTYSJIOQSA-N 481.552 5.603 5 1 JKBF CCCCC[C@@H](O)CCCCCCCCCCCOC[C@H](COCCCCC[N+](C)(C)C)OC 28233062 QCYYCPIMXDTFLM-FQLXRVMXSA-N 488.818 6.753 5 1 JKBF O=[N+]([O-])c1ccc2c(cnn2C2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 169321662 JDHFGRDIBVIKTN-UHFFFAOYSA-N 490.554 6.472 5 1 JKBF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 586953213 KFSMGTSAVYEPQT-UHFFFAOYSA-N 456.552 5.794 5 1 JKBF CC(C)OC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986900 GUXMSXWNWKGVCF-FYJGNVAPSA-N 480.476 5.552 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@H]2CCCC[C@@H]21 587025142 DUCWNXIHSHLMIB-XATISFHKSA-N 467.598 5.796 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)c(O)c([N+](=O)[O-])c1 587572932 AMCKRKYTQVJDDV-KCWPFWIISA-N 485.448 5.288 5 1 JKBF Cc1cccc(N2CCN(Cc3cn(Cc4ccccc4)c4ccc([N+](=O)[O-])cc34)CC2)c1C 621476130 QBWLQAXLCHPHRL-UHFFFAOYSA-N 454.574 5.537 5 1 JKBF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3cc([N+](=O)[O-])ccc3SCc3ccco3)N12 962661792 ICYBASTUNKGWFJ-ZEQKJWHPSA-N 489.553 5.216 5 1 JKBF C[C@@H]1CN(c2cc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CCN1CC1CCCCC1 1857600616 WBRFHGGTVWWRQD-CQSZACIVSA-N 469.529 5.279 5 1 JKBF CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 40565464 DCNDLZGFWHZEHL-ZRMCUCBQSA-N 474.623 5.930 5 1 JKBF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587166079 SEIIGBQYNRWMSC-UHFFFAOYSA-N 485.526 6.136 5 1 JKBF C[C@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327097 DVMSZGDBSBCFDQ-FYYLOGMGSA-N 475.394 5.819 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1c([N+](=O)[O-])ccc(OCc3ccccc3)c1F)O2 587383039 WYXXIZHTNCQZRO-VWLOTQADSA-N 450.466 5.170 5 1 JKBF CCOC(=O)c1c(C)n(Cc2ccccc2[N+](=O)[O-])c2ccc(OCCCN3CCCCC3)cc12 653730524 NQNHMIYKKHWLAC-UHFFFAOYSA-N 479.577 5.338 5 1 JKBF C[C@@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)c2cccc(F)c2CCN1[C@H]1CCSC1 962701634 LKWHSTTZAUDXPB-OYHNWAKOSA-N 475.636 5.715 5 1 JKBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149080 HCZSMGQWYVQWKZ-NHCUHLMSSA-N 487.604 5.666 5 1 JKBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Sc3ccccc3)cc2[nH]1 587265472 FHSNZOWOLMNVTI-YEJXKQKISA-N 465.491 5.065 5 1 JKBF Cc1[nH]c2ccc(F)c(Cl)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587631364 KFEKDQXMXVRVFS-UNMCSNQZSA-N 478.863 5.727 5 1 JKBF Cn1c(=O)n(Cc2ccc([N+](=O)[O-])cc2)c2cnc3ccc(-c4cnc5ccccc5c4)cc3c21 1857598987 VKSKSISQHPXNRV-UHFFFAOYSA-N 461.481 5.060 5 1 JKBF O=[N+]([O-])c1ccc(N(Cc2ccccc2)N=c2c3ccccc3oc3ccccc23)c([N+](=O)[O-])c1 27522998 OGQHLRMHVIQIGW-UHFFFAOYSA-N 466.453 5.925 5 1 JKBF O=C(CC[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1)C1CCN(c2ccc(F)cc2)CC1 27635410 GRNIONRZPGYZTD-HHHXNRCGSA-N 462.521 6.120 5 1 JKBF O=c1[nH]nc2c3c(c(-c4ccccc4)nc4ccccc43)c(-c3ccccc3)c(-c3ccccc3)n12 103185460 UVCSYERFPGOUEI-UHFFFAOYSA-N 464.528 6.725 5 1 JKBF O=[N+]([O-])c1ccc(CSc2nc(O)c3c(n2)N=C2CCCC(O)=C2[C@H]3c2cccs2)cc1 104056389 XVSIGIYCOPKDQU-GOSISDBHSA-N 466.544 5.658 5 1 JKBF CC(C)(C)c1ccc2c(c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)[C@]2(O)c1ccc(Cl)cc1 117272512 SOIXWRKFMCXOJY-VWLOTQADSA-N 450.922 5.395 5 1 JKBF CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1 195490795 DZQLBFSYEPOYJZ-LTUHBCEUSA-N 471.557 5.909 5 1 JKBF COc1cc2cc(C(=O)[C@@H]3CC[N@+](C)(Cc4ccccc4)CC[C@@H]3OC)sc2cc1OC 261161910 RANOFWRVYDDHPM-BUEREQSYSA-N 454.612 5.173 5 1 JKBF CCOc1cc(/C=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(Br)c1OC 586978377 QANRFFIBEPJUMN-CMDGGOBGSA-N 475.346 6.000 5 1 JKBF CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587073061 DTHOJVMSMXDNEZ-QHCPKHFHSA-N 456.930 5.593 5 1 JKBF COCCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096433 BEIFHCIMLQYSRI-IWIPYMOSSA-N 494.503 5.393 5 1 JKBF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587238041 AHRAZZJGHZUVOI-GUFUJHCKSA-N 473.577 5.214 5 1 JKBF COc1c(Cc2cccc3ccccc23)cc(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C 587943567 JFPLZYJPDMXSRW-UHFFFAOYSA-N 485.309 6.054 5 1 JKBF CC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(COc2ccc(OC(F)(F)F)cc2)cc1 1857570555 OQUNQUQORQRZAR-UHFFFAOYSA-N 464.396 5.331 5 1 JKBF COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCCCC2)cc([N+](=O)[O-])c1O 1151674 WBOGXTWEMFARII-QHCPKHFHSA-N 498.576 6.019 5 1 JKBF O=[N+]([O-])c1ccc(S(=O)(=O)n2c(SCc3ccccn3)nc3cc(Cl)c(Cl)cc32)cc1 26568850 IGAXSVRIKIJQSE-UHFFFAOYSA-N 495.369 5.176 5 1 JKBF COc1ccc([C@H](c2ccc(OCCN3CCCC3)cc2)c2cc3ccccc3c3ccccc23)cc1 28709337 LYBLTSFSNNWRDY-UUWRZZSWSA-N 487.643 7.656 5 1 JKBF CC1=C(C(=O)OCc2ccccc2)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(O)CC(C)(C)CC2=N1 104097118 QHLFDUFUBIVNCH-DEOSSOPVSA-N 490.512 5.511 5 1 JKBF CC(=O)Nc1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1nc(NC3CC3)ncc12 168908633 ABFOKCAFSDXGCL-UHFFFAOYSA-N 452.440 5.473 5 1 JKBF CSc1sc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919820 HXZWYESBCQDRCU-UHFFFAOYSA-N 489.047 5.945 5 1 JKBF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 586936032 GTTVQTXQQBUHPT-QFIPXVFZSA-N 463.990 6.198 5 1 JKBF Clc1cccc(-n2nc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2-c2ccco2)c1 587068247 NJRKLUWGMCRBNR-UHFFFAOYSA-N 462.900 6.425 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c1)CC2=O 587472514 IXOXEEZDKRCZOU-SANMLTNESA-N 475.541 7.049 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 587551871 KRLNTZWBWWFALC-OZXSUGGESA-N 489.867 6.449 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 587710092 FHNJIOXIBUWJQX-MGNBDDOMSA-N 461.253 5.507 5 1 JKBF COc1cc2c(cc1OC)[C@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1Cl)N(C)[C@H](C)C2 962623438 IKILDAHEVRGHES-BZQUYTCOSA-N 467.953 5.016 5 1 JKBF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)N1 962761154 GRPAQQXMVRPDBP-RXVVDRJESA-N 460.820 5.007 5 1 JKBF CC1(C)COC(CCC[C@@]2(c3cccc([N+](=O)[O-])c3)c3c(F)cccc3C[C@H]3CCCN32)OC1 963105385 PWSGCTMLOTZUEP-JIPXPUAJSA-N 468.569 5.567 5 1 JKBF O=[N+]([O-])c1ccc(C[C@@]2(c3ccc4ccccc4c3)NCCc3c(Cl)cc(Cl)cc32)cc1 963120597 KZHKAEJFVKGFNF-SANMLTNESA-N 463.364 6.687 5 1 JKBF CC(C)OP(=O)(OC(C)C)C(=Cc1ccc([N+](=O)[O-])o1)P(=O)(OC(C)C)OC(C)C 1772588985 RSFLSBKEZMIOSW-UHFFFAOYSA-N 467.392 6.572 5 1 JKBF COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(OC)c3C[N@+]1(Cc1ccccc1)CCC2 1857589869 FMFKCGXYGXCHJU-FYBSXPHGSA-N 460.594 5.482 5 1 JKBF O=C(NC1CCCCC1)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2481220 KMIRWRMBAANYQG-UHFFFAOYSA-N 460.317 6.286 5 1 JKBF Cc1cc(C(=O)c2ccc(Br)cc2)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1O 29242382 OBYYFXGOJAJTRF-UHFFFAOYSA-N 489.709 5.508 5 1 JKBF Cc1ccc(OCc2ccccc2)c(C(=O)O[C@@H](C)c2cccc3nc4c(C(=O)O)cccc4nc23)c1 29466179 COBSTMKMPXHMAZ-IBGZPJMESA-N 492.531 6.287 5 1 JKBF Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174329 PZQHVBRRZMFLGS-IGKBFHKKSA-N 463.607 6.275 5 1 JKBF O=C(Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)Nc1cccc([N+](=O)[O-])c1 96167983 RJQUYSZJXFHDOM-UHFFFAOYSA-N 480.424 5.058 5 1 JKBF O[C@@H](CC[C@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169338508 WQCSUFPQZUJUAU-VGSWGCGISA-N 455.442 6.986 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 587340199 XBYAVPRAVFZQIC-VPUSJEBWSA-N 473.431 5.881 5 1 JKBF Cc1ccc([C@]2(c3ccc(Cl)c([N+](=O)[O-])c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587696351 SZXKYPVHGHJBHP-QKFKETGDSA-N 489.772 6.284 5 1 JKBF C[C@@H](CC(=O)O)[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587698688 ZTWRVNXCLFKTNN-JHTDMNASSA-N 485.737 5.038 5 1 JKBF COc1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 587743424 AQOGXPCBTNLVMD-JCQPUDPBSA-N 487.325 5.921 5 1 JKBF C[C@]1(c2cc([N+](=O)[O-])c(Sc3cccc(Cl)c3Cl)s2)NCCc2c(C(=O)O)cccc21 963118204 ATZILBNFRGTBBB-NRFANRHFSA-N 495.409 6.222 5 1 JKBF c1cc2nc(c1)c1cccc(n1)c1cccc(n1)c1cccc(n1)c1cccc(n1)c1cccc2n1 52541572 MIRQOHKSVLYPDX-UHFFFAOYSA-N 462.516 6.662 5 1 JKBF in-vitro O=[N+]([O-])c1cccc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2ncc(-c3ccccc3)s2)c1 82163432 LXLURYKUDXRZLT-UHFFFAOYSA-N 497.555 6.636 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 587015598 RQAFMKYRQUAWSX-UHFFFAOYSA-N 470.135 6.331 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 587551870 KRLNTZWBWWFALC-JYFHCDHNSA-N 489.867 6.449 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1 587567378 HIHHECJNCSTOSS-ZEQKJWHPSA-N 491.402 6.074 5 1 JKBF Cc1ccnc2c1CCN[C@@]2(C)c1ccc(Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 963067753 ALIKHTDKEFQCTC-QFIPXVFZSA-N 454.324 5.262 5 1 JKBF Cc1[nH]c2c(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)nn2c(=O)c1-c1ccc2ncccc2c1 1857579117 WYPMWIUCZSSMEE-UHFFFAOYSA-N 473.492 5.788 5 1 JKBF CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCc1cccc(OC(F)(F)F)c1 2483663 KUNHHOIKDHKCFJ-UHFFFAOYSA-N 497.857 6.029 5 1 JKBF C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C 105175262 DCDLAGQJLOXJRD-ZDZLMVPKSA-N 477.609 5.597 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1F 587075739 JXPSSKSEPDMWKG-RVDMUPIBSA-N 470.891 6.966 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 587842411 FOMIOYKFJVDJHH-LFVRLGFBSA-N 487.394 6.412 5 1 JKBF COc1cc2c(cc1OC)C[N@@+]1(Cc3ccccc3)CCCc3cc(OC)c(OC)cc3[C@@H]1C2 1857556499 DZQXUDWCCIDAFO-QCDSWUKFSA-N 460.594 5.482 5 1 JKBF COc1oc([C@H]2CC(C=C(C)C=C(C)CC(C)=Cc3ccc([N+](=O)[O-])cc3)=CO2)c(C)c(=O)c1C 2356821907 VDYKJNNKAHKFAL-RUZDIDTESA-N 477.557 6.905 5 1 JKBF CN(C)c1ccc2c(-c3ccc(C(=O)N4CCCCC4)s3)c3ccc(=[N+](C)C)cc-3sc2c1 95560512 KGXGPRYHFYESKV-UHFFFAOYSA-N 476.691 5.459 5 1 JKBF CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1 95573989 UWMNAFXETUEZJZ-UHFFFAOYSA-N 460.359 5.493 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)c(C)c(C)c2[nH]1 587265323 WHUPAJZCYYRXMR-LBPRGKRZSA-N 462.300 5.202 5 1 JKBF Cc1ccnc2c1CCN[C@]2(C)c1ccc(Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 963067752 ALIKHTDKEFQCTC-JOCHJYFZSA-N 454.324 5.262 5 1 JKBF O=[N+]([O-])c1cccc(-c2cccc([C@@H]3NCCc4c3[nH]c3ccc(OCc5ccccc5)cc43)n2)c1 963817765 PLNWCYIQLSIXGQ-LJAQVGFWSA-N 476.536 5.952 5 1 JKBF O=C(c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1857763483 UYTLHJPNNITZKA-UHFFFAOYSA-N 477.524 5.254 5 1 JKBF CCN(Cc1ccccc1)C(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135988 XSAHKPUROGFAEP-UHFFFAOYSA-N 473.577 5.706 5 1 JKBF Cc1csc(SCc2ccc(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)cc2)n1 587020785 YCPHNBIWXDZEPR-UHFFFAOYSA-N 461.366 5.958 5 1 JKBF O=C1C[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587507406 QDVKWQBYPDJVEO-VWLOTQADSA-N 498.362 7.066 5 1 JKBF COc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c(C)c1[N+](=O)[O-] 587691095 BWEPCWCAVFBQGN-UGZDLDLSSA-N 457.727 5.265 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 587745471 HHTMQTDQASZCJB-BSEYFRJRSA-N 495.352 5.393 5 1 JKBF O=[N+]([O-])c1ccc(C2=CSC3=NC4=C(CSc5ccccc54)[C@@H](c4ccc(Cl)cc4)N23)cc1 653895744 FLRCRCJMNVXRGQ-XMMPIXPASA-N 490.009 7.223 5 1 JKBF COc1cc2c(cc1OC)[C@@H](c1ccc(OCc3ccccc3[N+](=O)[O-])c(OC)c1)N(C)[C@H](C)C2 962627481 PMONUAXSWSSKSF-XGCWNURASA-N 478.545 5.165 5 1 JKBF Cc1cc(OCCCCCC[N+](C)(C)Cc2ccc(Br)o2)c(C(C)C)cc1Cl 59718202 GKJZZJIDMNBFTG-UHFFFAOYSA-N 471.887 7.343 5 1 JKBF Cc1ccc(CNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 82147819 ZNMBCKCGUHVRHS-GFHCSAFJSA-N 489.576 5.366 5 1 JKBF Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)cc2)c(C)c1C 586951182 QCJOTOVNCJIIPX-UHFFFAOYSA-N 482.537 5.620 5 1 JKBF CCCOc1cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2cc1Br 586968685 HPJXMGHVVNYPHT-UHFFFAOYSA-N 464.385 6.438 5 1 JKBF COc1cccc(-c2cc(-c3cc4c(ccc5ccccc54)oc3=O)nc3c2oc2ccccc23)c1 587365783 NHUIOEIOPFDHBG-UHFFFAOYSA-N 469.496 7.583 5 1 JKBF CC(=O)Oc1ccccc1[C@@]1(c2cccc([N+](=O)[O-])c2)c2cccc(Br)c2CCN1C 963289048 IHAOSJLXEXTLCR-XMMPIXPASA-N 481.346 5.062 5 1 JKBF Cc1ccc(Nc2nc(-c3sc(NC(=O)c4ccc([N+](=O)[O-])cc4)nc3C)cs2)cc1 8672312 LINNYWBMZYWEBU-UHFFFAOYSA-N 451.533 5.788 5 3 JKBF O=C(CC[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1)C1CCN(c2ccc(F)cc2)CC1 27630479 CKKSTBUHZHMYFV-MHZLTWQESA-N 480.511 6.259 5 1 JKBF O=S(=O)(NCCCNc1c2c3ccccc3nc-2oc2ccccc12)c1ccc2ccccc2c1 95580486 SGELDSWMVHPPFE-UHFFFAOYSA-N 481.577 6.020 5 1 JKBF COc1ccc2c(ccc3c(-c4c(O)ccc5c4CCc4cc(O)cc(OC)c4-5)c(O)cc(OC)c32)c1 473132449 SPYPVTXQKIVDMJ-UHFFFAOYSA-N 494.543 6.568 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587057503 XYGSKVUWVCXKGI-JOCHJYFZSA-N 476.920 5.483 5 1 JKBF CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc([N+](=O)[O-])c2[nH]1 587226850 UXJXXQMAUNMJRT-RUZDIDTESA-N 498.583 6.877 5 1 JKBF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1[N+](=O)[O-])CC2=O 587459870 QINHREKCMPHTBD-SFHVURJKSA-N 475.712 5.015 5 1 JKBF O=C(Nc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2[C@H](c2ccccc2Cl)c2ccccc21 13913496 ZKRJPKWKGUGURR-AREMUKBSSA-N 469.928 6.981 5 1 JKBF Cc1nc2c(-c3ccc(Br)cc3)nc3ccccc3c2c(=O)n1-c1ccc(F)cc1 28646056 YDTZXUKRIDKPKZ-UHFFFAOYSA-N 460.306 5.811 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1Cl 587064005 IPQKJFJFWVWTCN-UHFFFAOYSA-N 467.312 6.479 5 1 JKBF FC(F)(F)c1nn(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c(C2CC2)c1Cl 587116997 PDFCHLWDXMCULO-UHFFFAOYSA-N 456.859 5.648 5 1 JKBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3ccccc3c3ccccc3c2[nH]1 587266118 IXUWJHQUMZTREQ-ASSNKEHSSA-N 457.446 5.220 5 1 JKBF CC(C)Oc1cc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2cc1Br 587272238 QMTHNPMKGXXLPD-UHFFFAOYSA-N 468.307 6.480 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)N1 587698281 UUPMVXFMAZMIBR-DMZKTXOQSA-N 475.745 5.976 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(F)cc2[N+](=O)[O-])N1 587713698 CUWZKLDMDKKNAV-VGDKGRGNSA-N 462.088 5.022 5 1 JKBF Cc1ccc(S(=O)(=O)Nc2ccc(N=c3c4ccccc4[nH]c4ccc(Cl)cc34)cc2)cc1 653779537 ONYUSSCCVWBBQM-UHFFFAOYSA-N 473.985 6.316 5 1 JKBF CC[C@H]1CCC[C@@H](CCOc2c(-c3cc(C)cc(C)c3)c(O)nc3cc(Cl)c([N+](=O)[O-])cc23)N1 29481194 VJGBHCMLQBBRMD-OALUTQOASA-N 483.996 6.475 5 1 JKBF COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 72179213 IWHMPMPSXVTDKW-XMMPIXPASA-N 456.527 6.083 5 1 JKBF Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340732 WPRNFPZJNJPLER-VPUSJEBWSA-N 470.456 5.324 5 1 JKBF O=C(O)c1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587345531 ZXFBVXUMKBHVHS-LBNVMWSVSA-N 499.450 5.440 5 1 JKBF CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587726876 LXBNVFPPMXRXOA-JCQPUDPBSA-N 488.332 5.503 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)N1 587749513 YZANYFSOPUZZEF-MCMMXHMISA-N 486.297 5.231 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 587752679 SXLGZYUMRZLLSQ-FATZIPQQSA-N 471.326 5.699 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 587753307 UZMWNDPGWDNGCM-BZQUYTCOSA-N 494.364 6.123 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587958774 HXCGZBOJQOLSJV-UKFPHXRLSA-N 461.650 8.634 5 1 JKBF O=c1c(-c2cccc(Cl)c2)coc2c1c(O)cc1occ(-c3cccc(Cl)c3)c(=O)c12 653895740 DFLHKAGOBTWMEF-UHFFFAOYSA-N 451.261 6.246 5 1 JKBF COc1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C 963113059 UUWDXZNIIGRRRV-HXUWFJFHSA-N 481.767 5.352 5 1 JKBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1COC[C@H]3N1Cc1ccccc1 27554246 WRIMTZUGSPTTJW-ZRZAMGCNSA-N 498.542 5.329 5 1 JKBF O=C1S/C(=C\c2ccc(Br)cc2)C(=O)N1Cc1c2ccccc2nc2ccccc12 103186639 NBDQIZOMHZXPGM-XKZIYDEJSA-N 475.367 6.387 5 1 JKBF N=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 103286076 IAFNPFUZELQSHN-WUZQXUMRSA-N 495.344 6.220 5 1 JKBF O=C1C[C@@H](Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c2c(Br)cccc2O1 587004242 SANYCDSQQIIXID-GFCCVEGCSA-N 459.303 5.057 5 1 JKBF CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587057798 RRISVCPHHPNPPJ-LRDDRELGSA-N 493.347 5.907 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587069061 DCCZVQHXGYDRRX-IZZDOVSWSA-N 484.737 6.636 5 1 JKBF O=C1c2ccc(O)cc2OC2(c3cc([N+](=O)[O-])ccc3-c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 587342089 LSGFZZYHSIVCPL-RUZDIDTESA-N 498.422 5.631 5 1 JKBF O=[N+]([O-])c1ccc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c(Cl)c1Cl 962633409 LUGGMQWERJJVSF-UUOWRZLLSA-N 454.357 5.738 5 1 JKBF CSc1ccc(/C=C/c2ccc3c(NCCN4CCCC4)c4oc5ccccc5c4nc3c2)cc1 1857761299 PALFINWTTJMWDW-CMDGGOBGSA-N 479.649 7.534 5 1 JKBF CCN(Cc1ccccc1)C(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135986 WALNESFBWCRHFB-UHFFFAOYSA-N 459.550 5.459 5 1 JKBF COc1ccc2c(c1OC)C[N@@+]1(Cc3ccc(Cl)cc3)CCc3cc4c(cc3[C@@H]1C2)OCO4 257833122 JFHJIDRQICNTGZ-IADCTJSHSA-N 464.969 5.456 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c1)O2 587410395 MDNGQMCWUSIKQL-HXUWFJFHSA-N 485.359 6.106 5 1 JKBF O=C1C[C@@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587503487 OHTKUSDNPPJDPW-RUZDIDTESA-N 478.342 6.145 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(F)cc3Cl)c2c1 587620195 RUAYQIIPWTYUSO-UHFFFAOYSA-N 489.912 5.653 5 1 JKBF Cc1[nH]c2cc(Cl)c(F)cc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587631421 LSBYQIMPXZLKCN-PKTZIBPZSA-N 478.863 5.727 5 1 JKBF C[C@@]1(c2cc(Br)c(OC(F)(F)F)c([N+](=O)[O-])c2)c2ccc(F)cc2C[C@@H]2CCCN21 963111153 RIVPSARFIFWZJC-IFXJQAMLSA-N 489.263 5.679 5 1 JKBF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1ccc(Oc2ccc(Cl)c(C)c2)c([N+](=O)[O-])c1 963236904 YEWYGGDGTBHOJT-UZTOHYMASA-N 464.993 7.269 5 1 JKBF CC(C)=CCC[C@@](C)(O)[C@@H]1Cc2c(c(CC=C(C)C)c(O)c3c(=O)c4cc(O)ccc4oc23)O1 1857645744 DKJQBBIHCDRRLL-RBISFHTESA-N 464.558 5.667 5 1 JKBF COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)CCC=C(C)C 2356459569 RJQKCIQZFYHTRJ-UHFFFAOYSA-N 496.600 6.010 5 1 JKBF COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])cc1OC 775699 MZIDMMUOTBRLJM-UHFFFAOYSA-N 492.532 5.018 5 1 JKBF CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4053069 GWYKITWEAWXSQX-NOZRDPDXSA-N 493.947 5.098 5 1 JKBF NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cc(-c2ccccc2Cl)on1 29548310 CBVUOWILHTWDDD-XMMPIXPASA-N 490.947 5.002 5 1 JKBF C[C@@](O)(CSc1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 73294634 TVYJSIPYXVCPTR-QGZVFWFLSA-N 459.833 5.317 5 1 JKBF O=[N+]([O-])c1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@H]32)cc1 82149965 LMBHSQMAJGISMT-NSIYGSDQSA-N 467.569 6.241 5 1 JKBF Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 82174106 QKGJADGDGRYGBN-UHFFFAOYSA-N 467.485 6.196 5 1 JKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)c(Cl)cc2c2cc(Br)ccc12 169337811 KXPAPJNOOXDWMT-QKKBWIMNSA-N 453.207 6.628 5 1 JKBF CCCCCCOc1ccc(Br)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586980982 CNVPMRCUGJKXLN-UHFFFAOYSA-N 497.187 6.622 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 587018049 RSQIVYMOWXUSCU-UHFFFAOYSA-N 467.308 5.649 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)ccc1Sc1nc2ccccc2s1 587039438 XRPYPVAXTHQBDJ-UHFFFAOYSA-N 472.473 6.918 5 1 JKBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc2c1 587110184 OQQBYKGNKKWVDR-UHFFFAOYSA-N 467.325 6.968 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587113943 OSVBDUTZRUGWKU-UHFFFAOYSA-N 478.224 6.712 5 1 JKBF CCCCCOc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1Br 587139659 OEDWESHRKXPMON-UHFFFAOYSA-N 456.699 6.262 5 1 JKBF Clc1cc(I)cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 587183215 BQWDYXFJLLWMKR-UHFFFAOYSA-N 454.698 6.794 5 1 JKBF CCc1c(-c2ccc(F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587620882 ISGOGLINRAPVLE-UHFFFAOYSA-N 469.494 5.254 5 1 JKBF CCOc1ccc(-c2nn(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)cc1OCC 587669382 LHTWLKZDCAQMEE-UHFFFAOYSA-N 488.500 5.158 5 1 JKBF COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c([N+](=O)[O-])c1 587744276 CRWRASXZJQAXTC-MQJDWESPSA-N 461.287 5.389 5 1 JKBF COc1cc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1[N+](=O)[O-] 962659996 BWINKRBJYUFJES-PMERELPUSA-N 480.564 6.393 5 1 JKBF C[C@]1(c2ccc3ccc4ccccc4c3c2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957040 LWOFGORNVNXEER-HHHXNRCGSA-N 461.527 6.927 5 1 JKBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)o1 962963351 XVYFYZMPELMPIQ-QHCPKHFHSA-N 488.462 5.623 5 1 JKBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCc2ccccc2OC)cc1 774403 XKIFFOGHAUHZGM-UHFFFAOYSA-N 493.903 5.517 5 1 JKBF CCCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 82147622 HWMUKJKEXNPZSL-APMMZXSISA-N 451.571 5.064 5 1 JKBF Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163864 JXEMWRNMPFPUFZ-UHFFFAOYSA-N 479.565 6.763 5 1 JKBF Cc1c(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)sc2ncnc(Nc3ccc(F)cc3F)c12 95576703 ADNANZQWYZBFBW-UHFFFAOYSA-N 466.429 5.647 5 1 JKBF Cc1cc(O)cc(O)c1-c1c(N)cc2oc3cc(=N)c(-c4c(C)cc(O)cc4O)c(C)c-3nc2c1C 147573880 JAGGYJXPPMQTOZ-UHFFFAOYSA-N 483.524 5.384 5 1 JKBF in-vitro COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C)C[C@H](C(C)(C)O)O4 238782511 FADVHPZQTZALCA-PVBBERPISA-N 494.584 5.676 5 1 JKBF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2C1 587031916 NKJSNPLZKGMSIA-UHFFFAOYSA-N 479.356 5.255 5 1 JKBF Fc1ccc(Br)c(-c2nnc(CCc3nc4c5ccccc5c5ccccc5c4[nH]3)o2)c1 587156925 CELXWHMYXXAOTJ-UHFFFAOYSA-N 487.332 6.606 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267869 STPPAXQVKWQMCC-UHFFFAOYSA-N 480.553 6.276 5 1 JKBF C[C@]1(c2ccc(Br)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324460 ZKKOANIIJBILGI-IFMALSPDSA-N 472.266 5.476 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 587579083 YGJSVJPPWBRKCC-WNJJXGMVSA-N 481.504 6.180 5 1 JKBF CCCCCn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccccc2Cl)c2ccccc21 587644781 NOGFHYSFZCFJHG-UHFFFAOYSA-N 457.961 8.208 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2F)N1 587725208 CFYWOTVXJNJYQE-AMXDTQDGSA-N 474.305 5.044 5 1 JKBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 587866359 YYUYFACJFGQZDW-AWEZNQCLSA-N 463.412 5.292 5 1 JKBF O=[N+]([O-])c1ccccc1[C@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949640 CPZXVXHGHXVPAO-RUZDIDTESA-N 468.475 5.557 5 1 JKBF COc1cc(/C=C\c2ccc(OC)c3c2O[C@](C)(c2ccc([N+](=O)[O-])s2)O3)cc(OC)c1OC 1911576965 LNKFPLARZJVGBB-POUSAUBHSA-N 485.514 5.505 5 1 JKBF Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CCO3)cc1 13808548 YCLWOGPIRAHCJA-UHFFFAOYSA-O 467.633 6.597 5 1 JKBF COc1c(O)cc2oc3c(C/C=C(\C)CCC=C(C)C)c(O)cc(O)c3c(=O)c2c1CC=C(C)C 15120661 KPJUYIVPJIWJIC-WOJGMQOQSA-N 478.585 6.816 5 1 JKBF CCCCCc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174450 MKINYSJXQWVIIN-IBGZPJMESA-N 451.527 5.339 5 1 JKBF CC(C)C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169713958 ZFXRZGCZDCRDBC-DHASZOISSA-N 495.664 5.816 5 1 JKBF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c4ccccc4c4ccccc4c3[nH]2)c1C 587166401 YSNOTXSJOMGNAU-UHFFFAOYSA-N 491.566 7.205 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1 587719113 KGMOYNYTCKTLRV-XTZNXHDOSA-N 477.252 5.387 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)N1 587748014 RRBPIUIDCPEZPQ-FATZIPQQSA-N 470.342 5.888 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)N1 587817634 MTAKGTRFTVXCGC-BCOMRZATSA-N 484.412 7.600 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587958775 HXCGZBOJQOLSJV-WGIJKTCHSA-N 461.650 8.634 5 1 JKBF COc1c(O)cc2oc3c4c(cc(O)c3c(=O)c2c1CC=C(C)C)O[C@@](C)(CC=C(C)C)C=C4 1857559345 HXNGHHMZQLUJNN-NDEPHWFRSA-N 462.542 6.395 5 1 JKBF COc1cc(C(=O)c2cn(-c3cccc(C)c3)cc2-c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 1857605862 JQSZCYIHQODVOB-UHFFFAOYSA-N 472.497 5.618 5 1 JKBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2cccc(O)c2)cc1 13584479 XXWWKZDSXDKSBU-UHFFFAOYSA-N 469.526 5.448 5 1 JKBF CC(C)=CCC/C(C)=C/Cc1c(O)c2c(c3c(=O)c4cc(O)ccc4oc13)OC(C)(C)[C@@H](O)C2 71295893 GZOFBXLMLDTZJM-NAVGAYGYSA-N 464.558 5.667 5 1 JKBF in-vitro O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 586915136 HEWRTGQXCQTZRU-UHFFFAOYSA-N 454.236 5.002 5 1 JKBF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2C1 587031393 FWJOYYNWTSLIPT-UHFFFAOYSA-N 479.356 5.255 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587151683 SVOMKQXHUMJJOH-IBGZPJMESA-N 460.234 5.680 5 1 JKBF O=[N+]([O-])c1ccc([C@H]2CCCCCC[C@]23NC2(CC2)Cc2ccc(Br)cc23)cc1 961612076 DZGCLDUAOJRAAZ-QPPBQGQZSA-N 455.396 6.369 5 1 JKBF C[C@]1(c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c2ccsc2CCN1C(N)=O 962717711 VASDHCQJYDGCQF-NRFANRHFSA-N 477.464 5.668 5 1 JKBF CC(C)c1nc([C@@]2(C)N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)co1 963013182 IDFZXTIOFLMDGX-QCDSWUKFSA-N 492.579 5.209 5 1 JKBF CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCCc1c[nH]c2ccccc12 775801 VUWDWLOOMHJVGL-UHFFFAOYSA-N 466.925 5.655 5 1 JKBF COc1cccc(-n2c(C)nc3c(-c4ccc(Cl)cc4)nc4ccc(OC)cc4c3c2=O)c1 98084436 URXHETMYONQREM-UHFFFAOYSA-N 457.917 5.580 5 1 JKBF O=[N+]([O-])c1ccccc1-c1cc(COCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1 201223945 WKDDEUFKRKNLLN-UHFFFAOYSA-N 470.491 6.119 5 1 JKBF COC(=O)c1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])ccc3SCC(C)C)nc2c1 586968284 BQBUZAURABFKNW-UHFFFAOYSA-N 464.341 5.435 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)cc2)nc1C(F)(F)F 587118276 KZOHTCCHAKEZFI-UHFFFAOYSA-N 457.199 5.104 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 587547795 UPTNSXFIRBVQSX-QPPBQGQZSA-N 462.845 5.447 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1 587719817 LUFMOQUGFDBWGM-MLCYQJTMSA-N 477.252 5.387 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587779592 UPARQIMEAQKSHQ-FNODVLLQSA-N 467.338 5.349 5 1 JKBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587948426 CAPMTHXCSQNEBG-ZCCHDVMBSA-N 466.494 5.664 5 1 JKBF COc1ccc2c(c1)CC[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@]21c2cc(OC)ccc2CCN1C(C)C 962092807 NLFNFKSMNJDNNH-WNJJXGMVSA-N 472.585 5.852 5 1 JKBF COc1ccc2c(c1OC)[C@](CCCCC(=O)O)(c1cc3ccccc3c3ccccc13)N(C)[C@@H](C)C2 962573377 RMPIPZYKQADWQO-MNAQKMTRSA-N 497.635 6.775 5 1 JKBF COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962631470 RMKPXFZFFIFHLA-CPJLOUKISA-N 492.528 5.157 5 1 JKBF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 963180419 LRJNVKVEMNYOSG-SIKLNZKXSA-N 494.828 5.297 5 1 JKBF O=C(O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21 1772623077 NTTBVCTVCHNCGZ-KMXNVQKHSA-N 468.617 6.099 5 1 JKBF COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 775915 MEMCFNROUAZZPU-UHFFFAOYSA-N 487.940 5.190 5 1 JKBF CNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3c(=O)c4ccccc4oc3c2)c1 13781322 YVQQQWJNOUYSPP-UHFFFAOYSA-N 474.557 5.346 5 1 JKBF O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccc(-c4ccccc4)cc3c2=O)cc1 58574838 KGHVTRAMVPYKQZ-CXUHLZMHSA-N 489.487 5.830 5 1 JKBF O=[N+]([O-])c1ccc(N2CCCN(CC[C@@H](O)c3csc4ccccc34)CC2)c(C(F)(F)F)c1 71294636 BOOMSWNMXVQXLL-OAQYLSRUSA-N 479.524 5.464 5 1 JKBF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134433 NFSPEYYCSADRKP-HTAPYJJXSA-N 451.571 5.353 5 1 JKBF COc1ccccc1CN1CCc2c(c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc23)C1 95562445 QLIQDQRWMQPWLM-UHFFFAOYSA-N 473.569 5.594 5 1 JKBF O=[N+]([O-])c1ccc(-c2csc(N3N=C(c4ccc(Cl)s4)C[C@@H]3c3ccc(F)cc3)n2)cc1 299868442 RIUBSPOSIOWPEU-LJQANCHMSA-N 484.965 6.928 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 587748611 ALOVUSMHMSQSEV-IPQOISQHSA-N 455.283 5.428 5 1 JKBF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 963233371 TXYREPJTAJRSPH-CRICUBBOSA-N 453.007 7.145 5 1 JKBF COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OCC(=O)c1ccc(C)cc1 1857538180 KCMSENWRHCSCGO-UHFFFAOYSA-N 478.524 5.297 5 1 JKBF COC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O 2356770348 LTYWXDKNOZKXJR-FKCXQASGSA-N 478.673 6.878 5 1 JKBF CC[C@@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163803 JJTYOXNUERLCFL-OAHLLOKOSA-N 491.573 6.070 5 1 JKBF C[C@]1(c2ccc(Br)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322109 LKZMIHPVOUVEKE-RBBKRZOGSA-N 472.266 5.476 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c1)CC2=O 587473459 VIPNQRJYSHKISK-VWLOTQADSA-N 491.496 5.230 5 1 JKBF O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)cc1 587578250 VOXQJYYBXUFTRN-BVAGGSTKSA-N 483.432 5.369 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc([N+](=O)[O-])cc2)nc2sccn12 587616739 GHKYIXMTYAXVRC-YADARESESA-N 485.477 5.380 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3ccccc3Cl)c2c1 587617401 FDZSJNXOSQRAEF-UHFFFAOYSA-N 499.932 5.078 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 587712120 NYYKITVYHPAEEL-MGNBDDOMSA-N 461.253 5.507 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 587717286 FSBUPDNKJRMIQZ-GYKQLYQFSA-N 462.088 5.022 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1 587743464 ARHMNPUSKPIYLI-XMHCIUCPSA-N 457.299 5.912 5 1 JKBF COC(=O)c1ccc2c(c1)c(NCCCNC(=S)Nc1ccccc1)c1c3ccccc3nc-1n2C 103146995 FXHSPYKNVMZBBN-UHFFFAOYSA-N 497.624 5.407 5 1 JKBF O[C@@H](C[C@H]1CCCCN1)c1cc2cc(Cl)c(Cl)cc2c2cc(Br)ccc12 169337816 KXPAPJNOOXDWMT-SZNDQCEHSA-N 453.207 6.628 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2c(Cl)c(Cl)ccc2c2cc(Cl)c(Cl)cc12 169339423 JSIIQODGKZOYGS-HSZRJFAPSA-N 487.298 8.542 5 1 JKBF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586982944 SGTZJILHPBDREC-CYBMUJFWSA-N 481.188 6.369 5 1 JKBF O=S(=O)(Nc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1)c1cc(F)ccc1F 587141182 YZLPJIRXVPWBSA-UHFFFAOYSA-N 487.491 5.405 5 1 JKBF CC(C)OC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587744796 FQVXPSRLSWTNCC-UESFGABOSA-N 491.357 5.281 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 587750858 JXWURPITCNSURH-FATZIPQQSA-N 471.326 5.699 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 587751290 LWQFPQRNCVZRAH-GKVSMKOHSA-N 483.381 6.297 5 1 JKBF COc1cccc2cc3c(nc12)[C@H](c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1)NCC3 963056117 LBHIHVHICXDCFA-SANMLTNESA-N 459.477 5.105 5 1 JKBF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)c1cc(Cl)cc([N+](=O)[O-])c1 963856245 VJUYWLNLPAABBG-HOYKHHGWSA-N 474.941 5.457 5 1 JKBF Cc1cccc(Oc2ccc(N=c3nc[nH]c4sc(-c5ccc([N+](=O)[O-])cc5)cc34)cc2Cl)c1 1857655744 CXNQMGSBTYPPQZ-UHFFFAOYSA-N 488.956 7.186 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c(oc5ccccc54)c(NCCOCCO)c3c2)cc1 1857756576 RLEBFWSNBDSDDY-VOTSOKGWSA-N 470.594 6.447 5 1 JKBF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C[N+](CCO)(CCO)Cc1ccccc1 299834520 JOTPJSMFNFREAT-RWSKJCERSA-N 464.714 5.822 5 1 JKBF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587141344 PUSZCDQKJMLIKD-QHCPKHFHSA-N 497.983 5.518 5 1 JKBF O=C1c2ccc(O)cc2O[C@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 587339071 DORCBGWSMXFTCP-MFMCTBQISA-N 497.522 6.717 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1)CC2=O 587458676 BLBKLNJKQBHQDO-QHCPKHFHSA-N 453.878 6.405 5 1 JKBF O=[N+]([O-])c1ccc([C@@]2(c3ccccc3)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962628224 ADYYZZXZIFPKKO-JDXGNMNLSA-N 461.565 5.634 5 1 JKBF C[C@@]1(c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccsc2CCN1Cc1cccnc1 962999921 SLXIZBYQCJSTAM-HHHXNRCGSA-N 471.582 5.952 5 1 JKBF O=[N+]([O-])c1cccc([C@@H]2c3sc4ccc(Cl)cc4c3N=C3NN=C(c4cccc(F)c4)N32)c1 1857554915 SRSPZSHXNHUKQC-HXUWFJFHSA-N 477.908 5.960 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c(oc5ccccc54)c(NCCC[C@@H]4C=NC=N4)c3c2)cc1 1857641665 AJUIKVPWMIVELV-HYGBKTPJSA-N 490.632 7.700 5 1 JKBF Cc1cc(O)cc2cc(-c3ccc(OCCN4CCCCC4)cc3)c3cc([C@H](C)O)ccc3c12 13494072 OGFVXFRTWSZFLM-NRFANRHFSA-N 455.598 6.592 5 1 JKBF CCN1CCC[C@@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccc([N+](=O)[O-])cc23)C1 29204181 ZVPRKSNMIAEGIR-CQSZACIVSA-N 461.353 5.485 5 1 JKBF Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@@H]2CC[C@H](C)CN2)c1 29479743 DEJKUVXSAZOXDV-KSSFIOAISA-N 469.969 5.943 5 1 JKBF CCc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174388 ZEVTYJRWJJWCLN-UHFFFAOYSA-N 473.602 6.647 5 1 JKBF O=C1CCCN1c1cc(-c2cc3ccccc3c3ccccc23)nc2ccc(Br)cc12 95571930 XAPNIFWNMYONEQ-UHFFFAOYSA-N 467.366 7.098 5 1 JKBF O[C@@H](C[C@H]1CCCCN1)c1cc2ccc(Br)cc2c2cc(C(F)(F)F)ccc12 169338979 HWEWFDDMPFBCKK-IERDGZPVSA-N 452.314 6.340 5 1 JKBF COc1cccc(-c2cc(C[C@H](O)c3cc([N+](=O)[O-])ccc3OC)nc3c2oc2ccccc23)c1 587363675 WIKOHTZOGWUELA-QHCPKHFHSA-N 470.481 5.850 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccccc3[N+](=O)[O-])c1)CC2=O 587468746 DASUQICGIKFKRH-VWLOTQADSA-N 463.486 5.547 5 1 JKBF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc([N+](=O)[O-])cc1Cl 587509726 WJWMHHOMIRTIPF-SANMLTNESA-N 493.943 6.421 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 587571387 NRMSPRAZGYOGBQ-BVAGGSTKSA-N 489.480 6.294 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(=O)O)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587744373 DUUSGMVBYDWBII-JCQPUDPBSA-N 485.309 5.021 5 1 JKBF CCOC(=O)c1c(-c2ccccc2)n2c3ccccc3c(=O)n2c2ccc(-c3ccccc3)cc12 1911578884 WWWBCDNJHSPICM-UHFFFAOYSA-N 458.517 6.216 5 1 JKBF O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 773628 SGZAKWJGVDQESC-LJQANCHMSA-N 495.894 5.043 5 1 JKBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1OC 4295301 JOUDVMWUERUDBX-GOTSBHOMSA-N 473.957 5.587 5 1 JKBF CC(C)=CCc1c(O)c2c(c3c(=O)c4c(O)c5c(cc4oc13)OC(C)(C)C=C5)CCC(C)(C)O2 14768740 CTTYZRNOKDZJRY-UHFFFAOYSA-N 462.542 6.154 5 1 JKBF endogenous,in-man CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 82149156 SDASXNCUZLORHY-UHFFFAOYSA-N 481.556 5.635 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C[C@H]2CCCC[C@H]21 587027952 UWNOIIDVHLYDPI-QBIMZIAESA-N 489.395 5.370 5 1 JKBF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)c21 587032073 YQODMSMRELRAFV-NSHDSACASA-N 457.353 6.193 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)c(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n3ccccc13)O2 587376531 SDQMZGYNIPALJB-JOCHJYFZSA-N 489.915 5.637 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Oc1ccc([N+](=O)[O-])cc12 587578270 VRCATTUVEOSZJE-OZXSUGGESA-N 453.406 5.312 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Cl)c(C(C)=O)c2c1 587617395 FARFJTBVRFPQLF-UHFFFAOYSA-N 499.932 5.409 5 1 JKBF O=C(c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1)n1nc2cc1Oc1ccc(F)cc1-2 587872893 SHAHPNJUEGLQAO-UHFFFAOYSA-N 455.785 5.217 5 1 JKBF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587963061 LHEMPFZPDOXQHR-ZIAGYGMSSA-N 482.492 5.003 5 1 JKBF CC(C)=CCCC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)ccc(O)c3c(=O)c2c1O 2356595784 SYIJAIGFXDMIRQ-UHFFFAOYSA-N 464.558 6.513 5 1 JKBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C)C=CC(C)(C)O4 15248824 XDMFZDJOFFBFDK-LICLKQGHSA-N 476.569 6.785 5 1 JKBF biogenic,in-vitro O=[N+]([O-])c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)cc2-c2nnc(-c3ccccc3)o2)cc1 64479842 IJCSOQNALXUFJY-UHFFFAOYSA-N 454.402 5.073 5 1 JKBF O=C(CCN[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1)c1csc2ccccc12 71295217 QUZXJJNRZJWDOO-AWEZNQCLSA-N 463.481 5.270 5 1 JKBF CCN(CCCCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1cccc(OC(=O)NC)c1 103170053 LHKSPQCYJKIEEP-UHFFFAOYSA-N 488.584 5.736 5 1 JKBF c1csc(SCc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)oc3ccccc23)c1 587011150 LJBBJKASZFXATL-UHFFFAOYSA-N 464.575 7.426 5 1 JKBF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(F)c2)c1 587137982 AKGRRGNQYXQRSC-UHFFFAOYSA-N 474.217 5.544 5 1 JKBF C[C@@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335207 ZVUTYHFSINPTBG-GMAHTHKFSA-N 491.393 5.698 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)c(Cl)c([N+](=O)[O-])c3c1OCCO3)CC2=O 587460535 GYOCNTIGOAWUIH-OAQYLSRUSA-N 468.289 5.212 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccc([N+](=O)[O-])cc2)c2ccccc12 587574354 FMUWXBILEFQZFJ-NAKRPHOHSA-N 478.460 5.947 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 587575622 JUBNNEPHRNSHLQ-JYFHCDHNSA-N 455.422 5.796 5 1 JKBF O=C(Nc1ccc(Cl)cc1)Nc1ccc(N=c2c3ccccc3[nH]c3ccc(Cl)cc23)cc1 653717494 XIHLZVBEUGXADQ-UHFFFAOYSA-N 473.363 7.504 5 1 JKBF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 962967660 BSKQOYZHLBEXEK-HYBUGGRVSA-N 497.885 5.218 5 1 JKBF C[C@@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 4051533 HXYVSDQXRKCJSK-ZGFCVWDJSA-N 467.884 5.357 5 1 JKBF O=C(O)Cc1csc(-c2nc3cc4ccccc4cc3nc2-c2cc(CC(=O)O)cs2)c1 28473923 CLRJDJZNLICLJW-UHFFFAOYSA-N 460.536 5.494 5 1 JKBF Cc1cc(OCCCCCCCC[N+](C)(C)Cc2ccc(Br)o2)c(C(C)C)cc1Cl 59719541 VCIJJZWUFRMQBU-UHFFFAOYSA-N 499.941 8.123 5 1 JKBF COc1cc([C@@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1O 84709196 WPAJSOSVEBPLGT-FQEVSTJZSA-N 472.457 5.438 5 1 JKBF COc1cc2cc3c4cc(-c5ccc(C(C)(C)C)cc5)c(OC)c(OC)c4cc[n+]3cc2cc1OC 95564762 KXIQYYAGXGVJHR-UHFFFAOYSA-N 482.600 6.731 5 1 JKBF Cc1ccc2oc(=O)c(C(c3ccccc3[N+](=O)[O-])c3c(O)c4cc(C)ccc4oc3=O)c(O)c2c1 169341263 SNHMLYQBSJIRFU-UHFFFAOYSA-N 485.448 5.016 5 1 JKBF O=C1c2ccccc2-c2cc(-c3ccc(-c4ccccc4[N+](=O)[O-])s3)nc3ccc(O)c1c23 586994623 ZHFGKIMOECAUDK-UHFFFAOYSA-N 450.475 6.456 5 1 JKBF COc1cc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc(Cl)c1OCC(C)C 587047575 XYEDCIHFBMHZHG-OUKQBFOZSA-N 456.973 7.737 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1cccc3ccc4ccc5cccc2c5c4c13 587604449 TXWLYAFEVLREBG-LJAQVGFWSA-N 466.492 7.071 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cccc(Cl)c3)c2c1 587618745 TXFSVTWXAYGLLK-UHFFFAOYSA-N 471.922 5.514 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)N1 587748016 RRBPIUIDCPEZPQ-PSLXWICFSA-N 470.342 5.888 5 1 JKBF Cc1c(OC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc2c1oc(=O)c1ccccc12 587836973 CQKFTIPUIPLDIX-IYJVBRSBSA-N 496.376 5.985 5 1 JKBF O=C(NCC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2478332 DZZNCTRIUVXTIC-UHFFFAOYSA-N 457.889 6.019 5 1 JKBF Cc1cc2c3c(cc[n+]2nc1C)c1ccc(OCc2ccccc2)cc1n3C(=O)OC(C)(C)C 26577927 MNIMRMBHQSJXOT-UHFFFAOYSA-N 454.550 5.907 5 1 JKBF COc1ccc(OC)c(CN(C)CCCCCCCOc2ccc3c(=O)c4ccccc4oc3c2)c1 28640899 ZRUXMMSRIDNTPQ-UHFFFAOYSA-N 489.612 6.425 5 1 JKBF C[N+]1(CCCCCCCCCCCCCCCC[N+]2(C)CCC[C@@H]2CO)CCC[C@@H]1CO 28865219 MYAGCAOZYJKPQU-FSOBKABBSA-N 454.784 5.650 5 1 JKBF c1ccc2cc3cc4cc5c(ccc6cc7cc8cc9ccccc9cc8cc7cc65)cc4cc3cc2c1 64622654 FDJONNIVGBHMQI-UHFFFAOYSA-N 478.594 10.912 5 1 JKBF in-vitro COc1ccc(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 82174173 YEBQLAXCWBKNDH-UHFFFAOYSA-N 487.585 6.596 5 1 JKBF CC(C)(C)CC(C)(C)c1ccc(OCCO[P@@](=O)(O)OCC[N+](C)(C)Cc2ccccc2)cc1 96915620 INGFADMORBTDEK-UHFFFAOYSA-O 492.617 6.189 5 1 JKBF CCCCc1nc2cc([N+](=O)[O-])ccc2n1Cc1cccc2c1ccn2-c1ccccc1C(=O)O 169310197 HVKRZMXJTYIQEY-UHFFFAOYSA-N 468.513 5.978 5 1 JKBF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1cccc2[N+](=O)[O-] 587337581 BKCYOOAAHPWYBV-YWEHKCAJSA-N 481.435 5.287 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587958173 BGPPMWIYVXABOD-XSCOUVMYSA-N 492.620 8.234 5 1 JKBF CC(C)c1nn(C)c2c1[C@]1(NCC2)c2ccccc2CC[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1 962917135 ZICCAFPTFBQUJC-DFBJGRDBSA-N 450.970 5.224 5 1 JKBF COc1ccc(-c2sc3ccccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1 45353103 ZAIUZZNJXGJDBD-UHFFFAOYSA-N 479.510 5.742 5 1 JKBF O=C1[C@H](Cc2ccccc2)N=C(C2CCCCC2)c2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 66073604 CTBFXDJTNUVVMC-SANMLTNESA-N 467.569 6.122 5 1 JKBF CCN(CC)c1ccc2nc3c4ccccc4/c(=N/c4cc[n+](Cc5ccccc5)cc4)cc-3oc2c1 71341110 KLZSFEZYGXIOTB-UHFFFAOYSA-N 485.611 6.500 5 1 JKBF O=[N+]([O-])c1cccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)nc(S)n2)c1 73224277 PXWMECQBKURLJW-UHFFFAOYSA-N 469.501 5.999 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NCCc3ccccc3F)ncc2-c2ncc(-c3ccccc3)s2)cc1 82174678 BDMNOLCXXLMYJZ-UHFFFAOYSA-N 497.555 6.636 5 1 JKBF Cc1cc(Br)ccc1-n1cccc1-c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 586979778 AYLRIDIOAGQVPC-UHFFFAOYSA-N 476.128 5.762 5 1 JKBF CC(C)COc1cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2cc1Br 587273315 RJKUNRTVYFOIEE-UHFFFAOYSA-N 482.334 6.728 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(OC(=O)c3cccc([N+](=O)[O-])c3)ccc3ccccc13)O2 587390571 RPKOXIUNEAYUSZ-XMMPIXPASA-N 468.465 5.564 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O 587460788 PJOZIPNSEUXWON-DEOSSOPVSA-N 472.324 6.469 5 1 JKBF CCCc1c(-c2ncccc2C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587620480 CUNBWGHNWPHMIQ-UHFFFAOYSA-N 480.546 5.208 5 1 JKBF CCC[C@@H](CC1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781189 FLNHQBWAILCYML-SFHVURJKSA-N 453.514 5.972 5 1 JKBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(Sc3ccc(F)cc3)cc(Cl)cn12 1857574525 YKEIJJYIOHAUCH-UHFFFAOYSA-N 477.926 5.160 5 1 JKBF O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)Nc2c1sc1nc(-c3cccs3)cc(C(F)(F)F)c21 1857635934 LGKBMROXRPJLQK-QGZVFWFLSA-N 476.461 5.806 5 1 JKBF Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@@H]2CCC[C@H](C)N2)c1 29477647 RYBUHQOIEPFMAP-WMZOPIPTSA-N 469.969 6.085 5 1 JKBF CC(C)CN(CC(C)C)C(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135963 VVCMADWTXFBOJH-UHFFFAOYSA-N 453.587 5.551 5 1 JKBF CCN(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136103 PHFYBTBZCBQJKP-BGYRXZFFSA-N 473.577 5.196 5 1 JKBF C[N+]1(Cc2ccccc2)[C@H]2CC[C@H]1CC(N1CC(c3ccccc3)(c3ccccc3)NC1=O)C2 101078564 LTWQRFZUJAVEAS-DUKXJIFFSA-O 452.622 5.296 5 1 JKBF C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C 105198093 JWQOCLGOVQYSGG-QBLKZJFASA-N 485.613 6.811 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)ccc2c2cc(C(F)(F)F)ccc12 169338992 KSZZEAUURKKEML-DEOSSOPVSA-N 451.960 7.601 5 1 JKBF CCCCCNC(=S)Nc1ccc2cc3ccc(NC(=S)NCCCCC)cc3nc2c1 205016783 IXLWLWACMRJJEY-UHFFFAOYSA-N 467.708 6.341 5 1 JKBF COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 586962329 DDEAEZDAUDJFAM-SFHVURJKSA-N 487.582 5.153 5 1 JKBF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587054386 KHMIGANVCKVYHX-KRWDZBQOSA-N 499.397 9.108 5 1 JKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Br)c(Br)cc4[nH]3)c2)c1 587270980 ZGUDEUSWJYPVJJ-UHFFFAOYSA-N 474.112 5.725 5 1 JKBF COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587530738 DQVCSPSPXRZLJT-DEOSSOPVSA-N 491.565 6.349 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Cl)c(C)c2c1 587617122 ARHFSKONJABWHS-UHFFFAOYSA-N 471.922 5.514 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])N1 587749444 YCBPEUYFYVEZET-AMXDTQDGSA-N 485.309 5.485 5 1 JKBF Cc1cc2c(cc1F)[C@]1(CC[C@@H](c3ccccc3)C[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1)NCC2 962295256 CXFFUNZLUMNHTB-JTPXSGRQSA-N 464.968 6.788 5 1 JKBF CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(Nc1ncnc(Oc3ccccc3Cl)c1[N+](=O)[O-])C2 1772639034 XDTMMCLHSDRYAL-HUUCEWRRSA-N 475.933 5.173 5 1 JKBF O=C(CCc1ccc(OCc2ccccc2)c(O)c1)OC/C=C\c1ccc(F)c([N+](=O)[O-])c1 43012387 BGPXMJZZZOUXDK-DAXSKMNVSA-N 451.450 5.208 5 1 JKBF C[C@@](C(=O)O[C@H]1C[N+]2(CCc3c[nH]c4ccccc34)CCC1CC2)(c1ccccc1)N1CCCCC1 73161802 WGOSBZASWNBYTQ-UCMBYLDGSA-N 486.680 5.264 5 1 JKBF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 82134902 SQJPWXBZDROZOC-HXOBKFHXSA-N 493.995 5.668 5 1 JKBF C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C 82216921 JFAFVONXEFSODO-DWPZYODISA-N 463.582 5.207 5 1 JKBF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@+](C)(CCc4ccccc4)[C@H]2N3C)cc1 253806900 QAOKOBSRMLDYEY-YHDFVFTKSA-O 484.664 6.548 5 1 JKBF Cc1c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cccc1[N+](=O)[O-] 587261054 QXGRRDQCCREQHL-UHFFFAOYSA-N 476.436 5.266 5 1 JKBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1 587871188 CKSINGXGEMSUDF-UHFFFAOYSA-N 461.449 5.264 5 1 JKBF COc1cc2oc(=O)ccc2cc1[C@@H](C=C(C)C)c1c(O)cc2c(c1O)c(=O)c1ccccc1n2C 13307625 BDUZKTBBDMOMAX-LJQANCHMSA-N 483.520 5.316 5 1 JKBF biogenic COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc([N+](=O)[O-])c4)cc3)c2cc1OC 13610099 FEMXGYPLUJMECJ-UHFFFAOYSA-N 460.446 5.597 5 1 JKBF Clc1ccc2c(c1)nc1cc(Nc3ccccc3)/c(=N/CC3CCNCC3)cc-1n2-c1ccccc1 27638713 IURQPIPRMCJTJY-INKHBPHZSA-N 494.042 6.428 5 1 JKBF OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCCCOc3ccccc3)(CC1)CC2 45484299 HRBIVWRABBSMGZ-UHFFFAOYSA-N 456.650 6.173 5 1 JKBF COc1ccc(CN2CCc3c(c4cc(OC)c(OC)cc4c4cc(OC)c(OC)cc34)C2)cc1 95558253 FZZLMHSOUZJWAV-UHFFFAOYSA-N 473.569 5.594 5 1 JKBF O=C(Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)Nc1ccccc1[N+](=O)[O-] 96167987 MDCBQNDMHQEMCN-UHFFFAOYSA-N 480.424 5.058 5 1 JKBF CCOc1cc(/C=C/c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(Br)c1OC 586978034 KLYPFCURSPTSTD-QPJJXVBHSA-N 497.143 5.574 5 1 JKBF O=C(Nc1nc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cs1)c1cccc(O)c1 587019363 LHOQCWMPEIJAJU-UHFFFAOYSA-N 450.523 5.875 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc4ccccc4cc3[nH]2)ccc1Sc1nc2ccccc2s1 587036822 AMDCISRFEUENMV-UHFFFAOYSA-N 454.536 7.052 5 1 JKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587110156 URUGMZWKZBRCOD-UHFFFAOYSA-N 484.150 5.742 5 1 JKBF O=C(Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1cccc([N+](=O)[O-])c1 587578744 XJVQZGCUVLFNQJ-BVAGGSTKSA-N 483.432 5.223 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 587751723 OGOWBBUHRWWEOS-IPQOISQHSA-N 455.283 5.428 5 1 JKBF CCOc1cc([C@H]2c3ccsc3CCN2Cc2cccn2C)ccc1Oc1nn(C)cc1[N+](=O)[O-] 962375092 RMHZLNNCWQRPNT-DEOSSOPVSA-N 493.589 5.067 5 1 JKBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148857 AIGZTKYFSXTBKL-IYWMVGAKSA-N 465.598 5.185 5 1 JKBF O=[N+]([O-])c1ccc([C@H]2CC(c3cccc4ccccc34)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 103215864 BUNLUGGFABLCBS-XMMPIXPASA-N 483.440 5.920 5 1 JKBF CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c12 587168892 QXMKHSWLMXRONS-UHFFFAOYSA-N 457.469 5.407 5 1 JKBF O=C(Nc1ccccc1)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622626 DXZXICVNHINPQI-UHFFFAOYSA-N 476.290 5.634 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Br)c2[N+](=O)[O-])N1 587681436 XFMKEDOJHCSGAD-XLFHBGCDSA-N 458.125 5.057 5 1 JKBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587748064 SCSJSQILDOWOPG-WIUDPPPLSA-N 461.287 5.389 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 587750604 JCSMYSKNWJOMBM-VERVWZFWSA-N 458.331 5.556 5 1 JKBF COc1cc2c3c(c4ccc(OC(=O)C5CCCCC5)cc4c2cc1OC)CN1CCCC[C@H]1C3 1772594290 SWGMCCWVIDJWQF-FQEVSTJZSA-N 473.613 6.407 5 1 JKBF CCCCNc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2cccc([N+](=O)[O-])c2)n1 82134289 NSASLJCIEGLTMS-UHFFFAOYSA-N 473.455 5.213 5 1 JKBF COc1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cc1[N+](=O)[O-] 299866787 PIXTVAAXYVRVDJ-UHFFFAOYSA-N 457.364 6.132 5 1 JKBF CCOc1cc2oc(=O)c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2cc1Br 586999536 GEMHFERERITBGC-UHFFFAOYSA-N 487.313 5.594 5 1 JKBF CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645043 ILSBFLCSQNEJFD-BJCBFJDFSA-N 474.567 9.003 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 587698009 XVSTZSXYKVENMD-WVDJIFEKSA-N 465.706 6.033 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)N1 587857495 QTFVOLRDIFMQCM-WYRIXSBYSA-N 487.354 5.496 5 1 JKBF COc1cc(C(=O)c2cn(-c3ccccc3)cc2-c2ccccc2[N+](=O)[O-])cc(OC)c1OC 1857540737 CBXOZYLVWJZZNE-UHFFFAOYSA-N 458.470 5.309 5 1 JKBF NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 13878858 SVUUPPIYFVMXLZ-RUZDIDTESA-N 488.588 5.158 5 3 JKBF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 774738 ZOYZWWSUOHDMBS-SJCJKPOMSA-N 478.332 5.360 5 1 JKBF C[N+](C)(C)[C@@H]1CCC[C@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1CCCCC1 28712527 UNKINHDOSMZFNA-JWQCQUIFSA-O 458.644 7.149 5 1 JKBF FC(F)(F)c1ccc(Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1 587111813 HYGAFEUONVNRGK-UHFFFAOYSA-N 456.427 7.137 5 1 JKBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587266752 OBZGJBCJEZNEMG-ZETCQYMHSA-N 490.192 5.214 5 1 JKBF COc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 587577245 RFMGODWWJKSFHA-SQHAQQRYSA-N 485.448 5.804 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Sc1ccccc1 587613237 NJBMUASRGYRRIR-BVAGGSTKSA-N 471.490 6.155 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587958777 HXCGZBOJQOLSJV-ZACMJQCDSA-N 461.650 8.634 5 1 JKBF Cc1nn(-c2ccccc2)c(Oc2ccc(-c3nc4cc(C(=O)NC(C)C)ccc4[nH]3)cc2)c1[N+](=O)[O-] 1772650370 DHPLMECBKXJQFN-UHFFFAOYSA-N 496.527 5.563 5 1 JKBF CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C/2COc1ccccc1[N+](=O)[O-] 169355000 KRYAKUJCJYRWSI-NHFJDJAPSA-N 490.603 7.488 5 1 JKBF O=[N+]([O-])c1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)ccc1Cl 587049198 IMIZIBATTSNDOV-UXBLZVDNSA-N 489.340 5.749 5 1 JKBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(OCc2ccccc2)cc(-c2ccccc2)c1O 587943538 HGVFMQNWCJNPOA-UHFFFAOYSA-N 497.320 6.547 5 1 JKBF O=[N+]([O-])c1cc(/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)ccc1Cl 587048486 WISDBPUQEUHJQY-DUXPYHPUSA-N 458.497 5.215 5 1 JKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587069269 DNUUCCKQRSPVDA-CLZCFYDQSA-N 459.380 7.332 5 1 JKBF CCc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587342342 NDTOWPJAMSOKQI-AHKZPQOWSA-N 473.456 5.898 5 1 JKBF O=[N+]([O-])c1ccc([C@@H]2CCc3ccccc3[C@@]23c2nc(Cl)cc4c2CCN3C4)c2ccccc12 963466740 FFQAXNAPRRQTGX-CUBQBAPOSA-N 467.956 6.142 5 1 JKBF COc1ccc([C@H]2CC(=O)Nc3c2c2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc32)cc1 1857757202 HMFUPQOHUXWTEA-QGZVFWFLSA-N 473.525 5.510 5 1 JKBF COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(F)cc3)c-2c/c1=N\C1CCOCC1 95577406 GJHYDQQHOFWMSO-WGPBWIAQSA-N 495.558 5.496 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)cc2)cc1 587271397 BLWWYHCQMBQFMY-UHFFFAOYSA-N 478.224 6.712 5 1 JKBF O=C1C[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)Oc2c1ccc1c2CCCC1 587506562 YWTNQWZWNGKZSU-QFIPXVFZSA-N 468.303 6.203 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)N1 587742808 BBQKPFUGHOIBMB-MCMMXHMISA-N 487.325 5.405 5 1 JKBF COc1ccc(-c2noc(Cn3c4ccccc4c(=O)c4cc(Br)ccc43)n2)cc1 653743801 XWLLWGPTEVCCHK-UHFFFAOYSA-N 462.303 5.024 5 1 JKBF COC(=O)c1ccc2[nH]c(-c3cc4cc(OC)c(OC)cc4c4cc(OC)c(OC)cc34)nc2c1 1857758277 FFGWGXSRGVGFRW-UHFFFAOYSA-N 472.497 5.357 5 1 JKBF COc1ccccc1Nc1cc2c(c([N+](=O)[O-])c1C(C)C)C[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)O)C2 40865279 HLEWREVXVITGAE-GDKKVTFASA-N 466.578 6.466 5 1 JKBF Cc1cc(C(=O)N2CCC(N3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)CC2)c(C)o1 49033025 LLYPFSAXDCXOLS-UHFFFAOYSA-N 495.623 5.265 5 1 JKBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135103 XWGVYMWHXFYKFE-MSOLQXFVSA-N 451.571 5.447 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(N4CCCC4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 82163589 YDTVTRDWJIBBTI-UHFFFAOYSA-N 459.531 5.451 5 1 JKBF CCO/C(O)=C1/C(C)=Nc2nc(SCc3cccc(Cl)c3)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1 103944733 QANCVFXMGSBHSC-LAFOYAEKSA-N 485.953 5.634 5 1 JKBF Cc1ccc(C(=O)Nc2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)cc1[N+](=O)[O-] 587104225 FIGQCMCUOXSHJK-UHFFFAOYSA-N 485.499 6.582 5 1 JKBF Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587117823 JGTLZHPSMZNVLZ-JTQLQIEISA-N 476.484 5.799 5 1 JKBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)nn2)c1 587270113 QBTVFWSIGIHZLH-UHFFFAOYSA-N 491.305 5.060 5 1 JKBF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 587342637 OTCUTENSGRVXRE-XNMGPUDCSA-N 455.441 5.742 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(C)cc1[N+](=O)[O-] 587860623 ZQVNNPFYWJLSIM-CYBMUJFWSA-N 464.305 5.580 5 1 JKBF O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 774597 YFTAOTUJDUYVNZ-FUHWJXTLSA-N 476.316 5.257 5 1 JKBF O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2CCCCCN1CCc2ccccc2C1 45354267 PXZUQXFVPKNWKH-UHFFFAOYSA-N 470.573 5.752 5 1 JKBF O=[N+]([O-])c1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2-c2nc3ccccc3s2)c1 82163566 VLXJWAWBQYPPPZ-UHFFFAOYSA-N 473.945 6.594 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)c(F)cc2[nH]1 586948021 CQYHTNAAPYIBEY-UHFFFAOYSA-N 460.874 5.040 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C[C@H]2CCCC[C@@H]21 587028711 ZMQXGHWNKXHSEU-COXVUDFISA-N 489.395 5.370 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 587614643 UADOCGAEBZXKLJ-JYFHCDHNSA-N 471.490 6.155 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 587691032 BHTRGSLVIAMZMA-WVDJIFEKSA-N 465.706 6.033 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)N1 587702868 WZFHANNQQCSMSW-IPQOISQHSA-N 491.744 6.566 5 1 JKBF Cc1cc2c(cc1F)[C@](C)(c1ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccc(Cl)cc3)c1)NCC2 962369988 CPZSQHGEKUKSOK-DEOSSOPVSA-N 488.968 5.079 5 1 JKBF CC1(C)CCC[C@]12N[C@H](C(=O)Nc1ccc3[nH]c4ccccc4c(=O)c3c1)Cc1ccccc12 963024383 QZANVRHVFOJRRD-ABYGYWHVSA-N 451.570 5.240 5 1 JKBF COc1ccc(CSc2nnc(-c3ccccc3)n2Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1857550353 SEFDMPHGFKUXRF-UHFFFAOYSA-N 477.502 5.111 5 1 JKBF CC[C@H](c1ccc(O)cc1)[C@@H](CSCCNc1ccc([N+](=O)[O-])c2nonc12)c1ccc(O)cc1 29394683 LEHCZMPJVACDMT-RTWAWAEBSA-N 494.573 5.665 5 1 JKBF S=c1[nH]nc2c3c(c(-c4ccccc4)nc4ccccc43)c(-c3ccccc3)c(-c3ccccc3)n12 98085409 MNEHSAZMHVOZNM-UHFFFAOYSA-N 480.596 8.094 5 1 JKBF O[C@@H](C[C@H]1CCCCN1)c1cc2ccc(Br)cc2c2cc(Br)ccc12 169339448 SMBARBYJPSQMOX-IERDGZPVSA-N 463.213 6.084 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c4cccnc4c4ncccc4c3[nH]1)N2 587032945 WGMYUUIZECMVKR-ATTDUZETSA-N 472.599 5.786 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587053098 AXOGZWBUROPWRD-INIZCTEOSA-N 475.254 5.924 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587114865 KMFJOQXRCGOCOH-UHFFFAOYSA-N 466.011 5.077 5 1 JKBF CCCOc1cc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2cc1Br 587135640 KZUMTAWONKXGHP-UHFFFAOYSA-N 484.325 6.804 5 1 JKBF Cc1cc(N(C)Cc2nc3cc(Br)c(Br)cc3[nH]2)c([N+](=O)[O-])cc1F 587136989 NNTCFFJSPUSMEB-UHFFFAOYSA-N 472.112 5.080 5 1 JKBF CC(C)[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)N(C)C 587198748 MXPBOGCQDCOBCS-VWLOTQADSA-N 471.513 5.104 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)N1 587696614 QBALAUPPFCJDIS-WHEQGISXSA-N 475.745 5.976 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)N1 587748305 UHKSNOHSXAALRA-LFPIHBKWSA-N 495.352 5.393 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc([C@@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)cc2)c([N+](=O)[O-])c1 962703648 NNIQCOXPHWEAOO-AVRWGWEMSA-N 495.532 5.887 5 1 JKBF O=c1cc(-c2ccc([N+](=O)[O-])cc2O)[nH]c2c(-c3ccc(Cl)cc3)c(Cc3ccccc3)nn12 1857585108 PIIUNROCGNUJNB-UHFFFAOYSA-N 472.888 5.215 5 1 JKBF CCCCCc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163605 NYPXZNVZAXRSRG-IBGZPJMESA-N 451.527 5.339 5 1 JKBF Nc1cc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)ccc1[N+](=O)[O-] 84655207 RBQHPNQNTCVWOY-UHFFFAOYSA-N 466.803 6.286 5 1 JKBF O=C(O)COc1cc(Cl)c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-] 95584357 WGQAQJOCVMOOON-UHFFFAOYSA-N 483.889 5.241 5 1 JKBF CCN(CC)CCCNc1cc(Cl)cc2nc3c4ccccc4n(CCN4CCCC4)c3cc12 299863309 KXLRMNPHXSUYFS-UHFFFAOYSA-N 478.084 6.236 5 1 JKBF CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc2c1 587271271 BJVYCIBZWBCGQK-UHFFFAOYSA-N 482.290 5.870 5 1 JKBF O=C1C[C@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587510306 ACVAWODFUOJKBK-MHZLTWQESA-N 453.498 5.453 5 1 JKBF COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587747587 ORICZTNZEJIMEO-MYYSRTQBSA-N 485.353 5.526 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)N1 587841539 BPCJFWSWBIOPDZ-WHEQGISXSA-N 473.367 6.271 5 1 JKBF O=[N+]([O-])c1ccc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c(Cl)c1Cl 962633406 LUGGMQWERJJVSF-MHECFPHRSA-N 454.357 5.738 5 1 JKBF C[C@@H](CSc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857560633 BRVTWJBORDYLFT-JTQLQIEISA-N 452.376 5.999 5 1 JKBF Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 13589715 SVLRGVZAGQAOSB-UHFFFAOYSA-N 455.301 5.860 5 1 JKBF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@H]1/C=C/c1ccccc1[N+](=O)[O-] 27523557 FHFKIZWPIXKTAT-LWMPOXIXSA-N 462.502 5.479 5 1 JKBF CCCCc1nc2cc3ccccc3cc2c(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 28757130 AZRVZCUDKUWNBE-UHFFFAOYSA-N 462.549 6.306 5 1 JKBF Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1-c1csc(Nc2ccc(Cl)cc2)n1 29051457 NTKNOBAIWAWICE-UHFFFAOYSA-N 471.951 6.133 5 1 JKBF COC(=O)c1ccc2c(c1)nc(NC1CC1)c1nc(SCc3ccccc3Cl)ncc12 139800849 CRDCBYVUBIAZAO-UHFFFAOYSA-N 450.951 5.485 5 1 JKBF CCC[P@@](=O)(Oc1cc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)ccc1C)OC(C)C 169342844 SWAJCYBPFLTGBY-XIFFEERXSA-N 470.466 6.511 5 1 JKBF CC(C)(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)Nc2cccc(C(=O)O)c2)cc1 299824665 WLQPQGISKUFAPZ-UHFFFAOYSA-N 461.474 5.095 5 1 JKBF CC(C)c1cc2c(cc1[N+](=O)[O-])[C@@]1(C)CCC[C@@](C)(CNC(=O)c3ccccc3Cl)[C@@H]1CC2 299835088 KHKYNSCLUFQXMD-DOEKTCAHSA-N 469.025 6.812 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc(Cl)c2[nH]1 587053373 DIZURYCXCRJPOC-OAHLLOKOSA-N 486.153 5.668 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)N1 587735580 XWTSZACBRWKJJQ-MQJDWESPSA-N 479.277 5.431 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2nc3ccc([N+](=O)[O-])cc3s2)N1 587857624 LWXQNIRYAPHCDL-GIGQVBGESA-N 482.400 5.648 5 1 JKBF CC1(C)C=Cc2cc(OCc3ccc([N+](=O)[O-])c(F)c3)c(OCc3ccc([N+](=O)[O-])c(F)c3)cc2O1 1772621887 DBDQJVPRRJOORF-UHFFFAOYSA-N 498.438 6.123 5 1 JKBF CC1(C)c2ccccc2N(Cc2ccccc2)[C@H]1C=Cc1cc(Br)cc([N+](=O)[O-])c1O 2356872720 VOYDICDUSOYHNH-QHCPKHFHSA-N 479.374 6.443 5 1 JKBF O=C1NC(=O)c2c1c1c3ccc(CN4CCCCC4)cc3[nH]c1c1c2c2cccc3c2n1CCC3 14945589 CVZLVFZJEFTBFX-UHFFFAOYSA-N 462.553 5.245 5 1 JKBF CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCNc2ccc([N+](=O)[O-])c3nonc23)c1 29398322 UEXTVXPWIGUXFY-VXKWHMMOSA-N 490.560 6.274 5 1 JKBF CC(C)OC(=O)Nc1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1nc(NC3CC3)ncc12 68150588 HFIMZLRNGHNVKX-UHFFFAOYSA-N 496.493 6.472 5 1 JKBF CC[C@@H](C)NC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 82135588 PIBKUDJMHYOFKR-CQSZACIVSA-N 473.455 5.211 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NCc3ccccc3F)ncc2-c2nc3ccccc3s2)cc1 82174763 ZQEBPJQMPVJJCE-UHFFFAOYSA-N 457.490 6.080 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)ccc1Sc1nc2ccccc2s1 587037828 NTVMYOQKGJFWKM-UHFFFAOYSA-N 474.901 6.831 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(I)cc3[nH]2)cc([N+](=O)[O-])c1 587136163 WJSOSHNWYZXLNC-UHFFFAOYSA-N 473.245 5.857 5 1 JKBF Fc1ccc(F)c(SCc2cccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2)c1 587140799 FYCXMUVVIRCUSD-UHFFFAOYSA-N 452.529 8.107 5 1 JKBF C[C@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327102 DVMSZGDBSBCFDQ-JTHBVZDNSA-N 475.394 5.819 5 1 JKBF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccc3c(c1)oc(=O)c1ccccc13)CC2=O 587491788 PSEZUVSEILVOJV-HJWYETAXSA-N 458.510 5.796 5 1 JKBF COc1cc(C[C@@]2(Cc3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O 587511584 QNCPHGHSVRCFRX-LJAQVGFWSA-N 487.552 5.686 5 1 JKBF CC(C)CNC(=O)c1cccc2nc(-c3ccc(COC(=O)c4ccc([N+](=O)[O-])cc4)cc3)oc12 653831407 URQIFZTZKFARIO-UHFFFAOYSA-N 473.485 5.146 5 1 JKBF COc1cc2c(cc1OC)[C@@](C)(COc1ccc3c(c1)oc(=O)c1ccccc13)N(C)[C@@H](C)C2 962568928 LRGLPFKUHOLQDC-YMGMXPECSA-N 459.542 5.134 5 1 JKBF CCOc1ccc([C@]2(C)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 963840593 BFHSAOHTEBHTCP-NIYFSFCBSA-N 484.549 5.202 5 1 JKBF O=[N+]([O-])c1cccc(N=c2[nH]c(SCc3ccc(C(F)(F)F)cc3)nc3ccccc23)c1 1857535645 QVSKUKXEICWKJN-UHFFFAOYSA-N 456.449 6.015 5 1 JKBF COc1cc2c(ccc3cc(O)ccc32)c(-c2c(O)c(OC)cc3c2ccc2cc(O)ccc23)c1O 15274405 OZTDQEHAPPNBIR-UHFFFAOYSA-N 478.500 6.806 5 1 JKBF biogenic CC1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)CC1 82135575 UIBCRKFXVQJVOW-GNRVTEMESA-N 477.609 5.407 5 1 JKBF CCOP(=O)(OCC)[C@@H](O)c1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1 169342906 RYYAOSBWLBJCKA-OAQYLSRUSA-N 458.411 5.052 5 1 JKBF O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1 586955089 UAFWSDPBBCMKDP-UHFFFAOYSA-N 493.592 5.381 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cc1Cl 586955372 PPLHKLUKPIVXDL-UHFFFAOYSA-N 489.340 5.196 5 1 JKBF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c(Cl)cc12 587078275 NFLYBLUZKMJQOE-JTQLQIEISA-N 472.841 5.232 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(I)cnc3[nH]2)cc([N+](=O)[O-])c1 587135438 ALFLASYAJIGUCE-UHFFFAOYSA-N 474.233 5.252 5 1 JKBF Cc1cc(N(C)Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])cc1F 587136701 JGOFYCQFIKJOIZ-UHFFFAOYSA-N 461.213 5.336 5 1 JKBF CCCOc1cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2cc1Br 587274090 YMXQGABZIVOMCX-UHFFFAOYSA-N 468.307 6.482 5 1 JKBF CC1(C)C=Cc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2O1 1772631670 CYURFUFSWPAQPW-UHFFFAOYSA-N 490.424 5.126 5 1 JKBF COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3C[N@@+]1(Cc1ccccc1)CCC2 1857589870 FMFKCGXYGXCHJU-QCDSWUKFSA-N 460.594 5.482 5 1 JKBF CCN(CC)C(=O)c1ccc([C@@H]2CC(=O)N(Cc3ccccc3[N+](=O)[O-])c3ccccc3S2)cc1 1857648818 ZHRYZASFWFOYKH-VWLOTQADSA-N 489.597 5.847 5 1 JKBF O=[N+]([O-])c1cccc([C@H]2ONC3=C2[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]32)c1 195440149 DIFMRIZVFMWUOY-FDYRDFEWSA-N 467.569 6.241 5 1 JKBF Fc1ccc(Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cn2)c(Br)c1 587161520 UMCGZFUUCXBTGT-UHFFFAOYSA-N 486.304 6.415 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587779406 SCAORTKTYSSICH-YYUOZPCZSA-N 467.338 5.349 5 1 JKBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 587862423 ADXORQKAGQXBTA-UHFFFAOYSA-N 487.390 5.346 5 1 JKBF Cc1sc2c(c1C)CCN[C@@]2(CCNc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 963004389 CJHYYEFNGOQUHO-QHCPKHFHSA-N 476.429 6.471 5 1 JKBF CCOC(=O)CCCCCC[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963607791 KHZGKAGDIGCKFV-UZTOHYMASA-N 484.593 5.294 5 1 JKBF COc1ncc(-c2ccc(N3C(c4ccc([N+](=O)[O-])cc4)=Cc4ccccc4[C@H]3CC(C)=O)cc2)cn1 95601356 FKXMLQVWSUOMAB-MUUNZHRXSA-N 492.535 6.099 5 3 JKBF O=[N+]([O-])c1cccc(-c2nc(NCCc3ccccc3F)ncc2-c2nc3ccccc3s2)c1 82163782 VLQXGQRYOIIWBT-UHFFFAOYSA-N 471.517 6.122 5 1 JKBF COc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163938 QTYIPTCUVCLWDY-UHFFFAOYSA-N 483.553 5.992 5 1 JKBF CN(C(=O)Oc1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(C[N+]3([O-])CCCCC3)cc2)CC1 253693291 JGTBGQFHKVMJEV-HCGLCNNCSA-N 457.014 6.496 5 1 JKBF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587239295 VMZLSDYICGUKKY-UHFFFAOYSA-N 452.312 5.843 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1 587695103 MZWVKZZWHLCYRJ-SBKAZYGRSA-N 465.706 6.033 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)N1 587702870 WZFHANNQQCSMSW-VERVWZFWSA-N 491.744 6.566 5 1 JKBF COC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)O 2356706490 HOFMPCWXVPXFTB-UHFFFAOYSA-N 462.674 7.833 5 1 JKBF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccnc4c3ccc3ccccc34)C[C@@H]1O2 84617571 UUYWPFUZRDDDJZ-AIFCEMJISA-N 466.581 6.020 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 587049144 HNBCEGQHDNUDSO-UHFFFAOYSA-N 478.733 7.374 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])N1 587743983 CGZIIFZSVWPTRV-DMZKTXOQSA-N 457.299 5.912 5 1 JKBF COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587749510 YXTGNCRWFIANLA-OWJWWREXSA-N 485.353 5.526 5 1 JKBF O=C(c1cc2ccccc2o1)N1CCN(C(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 653838789 KBBDWIOVMCXBDZ-QFIPXVFZSA-N 470.485 5.072 5 1 JKBF O=C(NCCOc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2482596 UQQKHPFETPDYLL-UHFFFAOYSA-N 481.867 5.518 5 1 JKBF C[C@@](C(=O)O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1 73166996 JKZTXAFKMWAXLC-QKZQWPARSA-N 475.697 5.563 5 1 JKBF CCCCNc1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 105175130 WHSGHLCMXHRJAG-STRKUORWSA-N 451.571 5.064 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 587748343 UQBRFWDEYYEYFX-OYLFLEFRSA-N 498.352 5.303 5 1 JKBF CCOC(=O)c1c(C)n(Cc2cccc([N+](=O)[O-])c2)c2ccc(OCCCN3CCCCC3)cc12 653730438 DXEBAOZMRXLJPT-UHFFFAOYSA-N 479.577 5.338 5 1 JKBF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 963613658 VIFHOAKITQVGAC-JBEBIEQOSA-N 473.356 5.745 5 1 JKBF COc1ccc(-c2oc(=O)c3cc(OC)c(OC)cc3c2/C=C/c2cccc([N+](=O)[O-])c2)cc1 36388794 SQDQJJQPARSQQC-KPKJPENVSA-N 459.454 5.564 5 3 JKBF C[N+](C)(C)c1cccc(C(=O)OCCCCCCn2ccc3cc(OCc4ccccc4)ccc32)c1 27074666 TYBSWHFRWWTQKY-UHFFFAOYSA-N 485.648 6.834 5 1 JKBF CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 82195850 AWRDIIHWIRYKCS-YJBOKZPZSA-N 499.102 6.238 5 1 JKBF C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3cccc(N)c3)cc2)c1)c1ccc([N+](=O)[O-])cc1 198564891 MKBLPQIHZUTRKR-FQEVSTJZSA-N 490.563 6.338 5 1 JKBF O=c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587053200 BCUQIHKBPJXUNT-UHFFFAOYSA-N 472.335 5.843 5 1 JKBF O=[N+]([O-])c1ccc([C@]2(c3ccccc3)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1 962628234 ADYYZZXZIFPKKO-PQHLKRTFSA-N 461.565 5.634 5 1 JKBF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c(=O)c3c4c(c(O)cc3oc12)OC(C)(C)C=C4 2356559644 GOLPEIAEOMFCOY-UHFFFAOYSA-N 462.542 6.482 5 1 JKBF CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)N(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 29486418 AOFJKORBNMKTBU-UHFFFAOYSA-N 498.561 5.656 5 1 JKBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(Cl)c(C(F)(F)F)c3)cc1)C2 45258247 HANCPYUOABGHLA-HNNXBMFYSA-N 453.804 5.108 5 1 JKBF O=[N+]([O-])c1ccc(C[n+]2ccn([C@@H](c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)cc1 96915758 AVPWGVWLOYQBBL-LJAQVGFWSA-N 460.513 6.269 5 1 JKBF CCN(CC)CCC[C@@H](C)Nc1c2c3ccccc3nc-2n(C)c2ccc(Br)cc12 103001687 OCDWAWMYFMXDSR-QGZVFWFLSA-N 467.455 6.516 5 1 JKBF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587038596 AEHVBHIEMKPOLK-HSZRJFAPSA-N 453.567 6.156 5 1 JKBF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2c1 587136445 HJCPYDRXIXYVIS-UHFFFAOYSA-N 482.537 5.331 5 1 JKBF O=C1C[C@@H](c2ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587504588 FOSBJFYHCMSNSX-DEOSSOPVSA-N 483.442 6.991 5 1 JKBF O=[N+]([O-])c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 34289873 SXXGVSPLLXTSLE-UHFFFAOYSA-N 482.527 5.290 5 1 JKBF CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174606 MUTXNSNHEAMZNF-ROUUACIJSA-N 463.582 6.230 5 1 JKBF Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)cc2)c(C)c1C 586950246 DMLNURQLCQFLQR-UHFFFAOYSA-N 498.992 6.134 5 1 JKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587110040 QVGCTLWJQSJZQW-UHFFFAOYSA-N 484.150 5.742 5 1 JKBF C[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128424 ABJPIOKPGPCLML-BYPYZUCNSA-N 470.608 5.568 5 1 JKBF COc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c(C)c1[N+](=O)[O-] 587545276 ONANPZZTPZDRJD-WZONZLPQSA-N 455.850 5.148 5 1 JKBF O=[N+]([O-])c1ccc([C@@]2(c3ccccc3Cl)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962703747 NRYMPDNFBPULDV-CLOONOSVSA-N 468.981 6.043 5 1 JKBF O=[N+]([O-])c1cccc([C@]2(CCSc3ccc(Cl)cc3)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963105204 PLIXLYLPAWBZBN-BKMJKUGQSA-N 483.008 6.834 5 1 JKBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCc2ccccc2F)cc1 2480851 MQTWDKQTBWALDI-UHFFFAOYSA-N 481.867 5.648 5 1 JKBF COc1ccc([N+](=O)[O-])cc1CSc1nc2cc(NC(=O)CC(C)(C)C)ccc2n1C(C)C 28524656 LVUPBNNPBKETLI-UHFFFAOYSA-N 470.595 6.201 5 1 JKBF C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)CCCCCCCCCCCCCCCCC(=O)O 96094938 ULCCGBCYWCYNIC-JOCHJYFZSA-O 458.660 5.405 5 1 JKBF in-vitro CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc3ccc4cccc5ccc1c3c45)CC2=O 587490878 SNOUWBGAYMYTNM-WJOKGBTCSA-N 478.544 6.968 5 1 JKBF Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587540456 AITFLANBBQLZPK-RPLLCQBOSA-N 487.895 6.168 5 1 JKBF CN(c1ccccc1)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587575319 JCIYZSPQCMOPIR-IGKIAQTJSA-N 468.465 5.771 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 587750951 KSITTYXXAQNLTQ-XMHCIUCPSA-N 457.299 5.912 5 1 JKBF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC[C@H](O)C[N+](=O)[O-] 28760982 URVNPCFXXZJZGQ-GKOKARGGSA-N 459.715 8.667 5 1 JKBF CCCCCc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163781 TWAPVBQMLZFNLC-UHFFFAOYSA-N 489.551 6.542 5 1 JKBF CCCCNC(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 105175056 HWMUKJKEXNPZSL-OQRYQMPQSA-N 451.571 5.064 5 1 JKBF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c3cccnc3c3ncccc3c2[nH]1 586937963 SPZFPVDSZRLGFB-IBGZPJMESA-N 491.642 5.049 5 1 JKBF O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1c(CO)oc2cc(Br)cnc12 587275419 ADYDRJPSJKQEBZ-UHFFFAOYSA-N 477.654 5.135 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)N1 587742807 BBQKPFUGHOIBMB-DMZKTXOQSA-N 487.325 5.405 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c(oc5ccccc54)c(N4CCOCC4)c3c2)cc1 1857762944 UOQJHJPYLGZTOX-VOTSOKGWSA-N 452.579 6.863 5 1 JKBF CC1=C[C@H](CNCc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2356862693 FPSYWESTPCXAEH-ZDXQCDESSA-N 461.566 5.227 5 1 JKBF COc1c([N+](=O)[O-])ccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 27851379 PFITZGCWDIAMJM-REWPJTCUSA-N 492.403 5.063 5 1 JKBF COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3Cl)[C@@H]1C2 73139903 ZKUAYZSWZMMLHE-DVECYGJZSA-N 492.919 5.431 5 1 JKBF O[C@@H](C[C@H]1CCCCN1)c1cc2cc(Br)ccc2c2cc(Br)ccc12 169338464 ULDCKCBOSBRMMS-IERDGZPVSA-N 463.213 6.084 5 1 JKBF O=C(O)c1cc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1-c1ccccc1[N+](=O)[O-] 204990632 VTNKYDKBIMDTRG-UHFFFAOYSA-N 460.467 5.522 5 1 JKBF COc1cc(O)cc2c1-c1cc(-c3c(O)cc(OC)c4c3ccc3cc(O)ccc34)c(O)cc1CC2 210791998 ILWNTPWAVWLUTO-UHFFFAOYSA-N 480.516 6.265 5 1 JKBF COc1cc(/C=C\c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C 587045670 BFWCXDZXKBHOAI-DAXSKMNVSA-N 480.746 6.101 5 1 JKBF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1cccc(Cl)c1 587072086 TXUHSYBLZWSJEU-OAHLLOKOSA-N 495.761 5.696 5 1 JKBF C[C@@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327101 DVMSZGDBSBCFDQ-GMAHTHKFSA-N 475.394 5.819 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1Sc1nc3ccccc3s1)O2 587414172 LBUQATXWBAZLIF-IBGZPJMESA-N 463.540 5.953 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o1)CC2=O 587463197 WKVDMFGXWZAYEQ-JOCHJYFZSA-N 457.866 5.785 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1 587747860 QLEPYZQOEIFLPM-XMHCIUCPSA-N 457.299 5.912 5 1 JKBF Cc1ccc(-c2c(OCc3cn(Cc4ccc([N+](=O)[O-])cc4)nn3)cnn2-c2ccc(F)cc2)cc1 1857534204 LUILGXFPFFIZNH-UHFFFAOYSA-N 484.491 5.114 5 1 JKBF CCCOc1cc2oc3cc(OCCC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C 39167015 QFIAFTUAZWLFHG-UHFFFAOYSA-N 494.628 7.255 5 1 JKBF biogenic C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 82134904 SQJPWXBZDROZOC-SBUREZEXSA-N 493.995 5.668 5 1 JKBF Cc1c(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)sc2ncnc(Nc3ccc(F)c(Cl)c3)c12 95574247 IHEQLIUEOAMJGC-UHFFFAOYSA-N 482.884 6.161 5 1 JKBF COc1ccc2nc(-c3ccc(Cl)cc3)c3nc(C)n(-c4ccc(OC)c(OC)c4)c(=O)c3c2c1 98084440 QEQMARBXCGDFFS-UHFFFAOYSA-N 487.943 5.589 5 1 JKBF COc1cc2cc(C(=O)C[C@H]3CC[C@@H](O)C[N+](C)(Cc4ccccc4)CC3)sc2cc1OC 169349102 ZFPAYSSATREUMU-WIMIJPAOSA-N 468.639 5.299 5 1 JKBF COCCN1C(=O)CC[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@H]1c1ccccc1Cl 587062208 FXHBEQYNHAIJFR-AFMDSPMNSA-N 485.975 5.406 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)nc1C(F)(F)F 587117837 GZFWMFRFGLMGOY-UHFFFAOYSA-N 487.441 6.708 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N1 587698365 PWQBTTDRBJBZEH-FVINQWEUSA-N 465.706 6.033 5 1 JKBF O=[N+]([O-])c1ccc(-c2cc(O)n(-c3cccc(-c4ccc(OCc5ccccc5)cc4)c3)c2O)cc1 587938267 SQWXGIZGKWQPSX-UHFFFAOYSA-N 478.504 6.710 5 1 JKBF CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1[N+](=O)[O-])C[C@@H]4OCC)O[C@@H](C)CC3=O 29132861 QOLVZALCPIGQFF-GKCIPKSASA-N 493.512 5.609 5 1 JKBF CCOP(=O)(OCC)[C@@H](c1ccc([N+](=O)[O-])cc1)N(C(=O)Nc1ccccc1)c1ccccc1 89464974 RVMQMGKBHNKUOG-QHCPKHFHSA-N 483.461 6.598 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc([N+](=O)[O-])c1 587136142 WDHOHDMHWWUJEE-UHFFFAOYSA-N 470.464 5.312 5 1 JKBF CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c12 587168400 JEGALSRARGMBTP-UHFFFAOYSA-N 456.481 6.012 5 1 JKBF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccc([N+](=O)[O-])cc1 587750124 GTAAVLMODOSXER-JCQPUDPBSA-N 487.325 5.921 5 1 JKBF CC[C@@H](C)Nc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 82135012 XQCHXLZROSSAHT-XJLXEZPNSA-N 451.571 5.063 5 1 JKBF CN1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 95574567 PFUJPMVYCTVNKG-HMZBKAONSA-N 495.030 5.917 5 1 JKBF COP(=O)(OC)[C@@H](OC(=O)COc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 103206365 OPOMFWAKYIFUTO-QGZVFWFLSA-N 464.194 5.008 5 1 JKBF Cc1cc(Br)cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 587054985 NPXZWHMUPUBTGB-MRXNPFEDSA-N 465.735 5.323 5 1 JKBF O=C1c2ccccc2-c2cc(Cc3ccc(OC(F)(F)F)cc3[N+](=O)[O-])nc3cccc1c23 587103609 LQYPKMXPVHQORU-UHFFFAOYSA-N 450.372 5.844 5 1 JKBF COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc([N+](=O)[O-])c4[nH]3)CCCC(C)(C)[C@@H]1CC2 587931443 IVKZLBJGTYBRQS-CCLHPLFOSA-N 463.578 6.367 5 1 JKBF COc1ccc2c(c1OC)[C@@](CCCCC(=O)O)(c1cc3ccccc3c3ccccc13)N(C)[C@H](C)C2 962573380 RMPIPZYKQADWQO-XFSFLGPDSA-N 497.635 6.775 5 1 JKBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(-c3ccc(Cl)c(Cl)c3)c(C(F)(F)F)nn12 1857602435 ORJHMWFMZZRSFB-UHFFFAOYSA-N 469.206 5.590 5 1 JKBF COc1ncc(-c2ccc(N3C(c4ccc([N+](=O)[O-])cc4)=Cc4ccccc4[C@@H]3CC(C)=O)cc2)cn1 95601357 FKXMLQVWSUOMAB-NDEPHWFRSA-N 492.535 6.099 5 3 JKBF O=[N+]([O-])c1ccc(CSc2ncnc3c2nc(NC2CCCC2)n3Cc2ccccc2)cc1 13607500 YTTXPXSEAVPIKY-UHFFFAOYSA-N 460.563 5.430 5 1 JKBF C[C@](O)(COC(=O)c1ccc(-c2ccccc2)cc1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 34801527 IEOYVMKWYPHESZ-DEOSSOPVSA-N 484.430 5.826 5 1 JKBF CN(C(=O)c1ccc(N2CCC(N3C(=O)OCc4ccccc43)CC2)c([N+](=O)[O-])c1)C1CCCCC1 43072087 AQJNLOUJBAIGQR-UHFFFAOYSA-N 492.576 5.125 5 1 JKBF O=[N+]([O-])c1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)[nH]c(=S)n2)cc1 82157561 CDSVMEQMPRQQOR-UHFFFAOYSA-N 469.501 6.373 5 1 JKBF COc1cc(-c2nnc(SCc3cccc([N+](=O)[O-])c3)o2)ccc1OCc1cccc([N+](=O)[O-])c1 84690123 GWKPTKGMFXTXNU-UHFFFAOYSA-N 494.485 5.433 5 1 JKBF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1 586879341 OKJMUZLOCZOZOT-UHFFFAOYSA-N 452.264 5.574 5 1 JKBF O=C(O)c1cc2[nH]c(-c3ncccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587065543 RQDCUZVUJTYEOD-UHFFFAOYSA-N 483.867 5.560 5 1 JKBF O=C1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587507405 QDVKWQBYPDJVEO-RUZDIDTESA-N 498.362 7.066 5 1 JKBF CC(C)(C)c1ccc(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])cc1 587511263 OJPHVELYOMLOHR-HHHXNRCGSA-N 471.553 7.270 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)N1 587746370 JQXRUOYNRVBQQK-MCMMXHMISA-N 481.325 5.435 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)N1 587752869 UCDSLSWTQFZNGU-XMHCIUCPSA-N 481.325 5.435 5 1 JKBF COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H](C)C(C)C)c([N+](=O)[O-])cc1OC 774819 HWTABAOWPPELNY-ZDUSSCGKSA-N 473.913 5.362 5 1 JKBF O=c1c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1ccccc1 49069108 LVYIWNZBMSMPSL-UHFFFAOYSA-N 451.366 5.515 5 1 JKBF CC[C@H](C)Nc1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2cccc([N+](=O)[O-])c2)n1 82136109 KNUJPWCCYDMMLT-AWEZNQCLSA-N 473.455 5.211 5 1 JKBF CC(C)(C)c1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82174385 JVJZIBRVIMSWDT-UHFFFAOYSA-N 495.608 7.238 5 1 JKBF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1C 587165417 BAWGHYFMBPSFSK-UHFFFAOYSA-N 493.542 5.995 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 587748910 BOYDOLJXPZMSJG-BSEYFRJRSA-N 480.337 6.064 5 1 JKBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(COc2ccc([N+](=O)[O-])c(C)c2)c1 587871714 NSWHYXMQCSLNSF-UHFFFAOYSA-N 475.476 5.572 5 1 JKBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(C)c(C(=O)c3cccc([N+](=O)[O-])c3)n3ccccc23)N1 962944364 HSAOVVJJJIXGGW-PPHZAIPVSA-N 478.552 5.882 5 1 JKBF CCOc1c(OC)ccc2c1c(-c1ccccc1)[n+]1c3c2ccc2c4c(cc(c23)CC1)OCO4 1857593207 ILRXJEJSIGCYCP-UHFFFAOYSA-N 450.514 5.793 5 1 JKBF Fc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1cn(-c2ccccc2Br)nn1 98085199 HNSOXACJPAROMJ-UHFFFAOYSA-N 473.309 5.268 5 1 JKBF Cc1cnc(Cl)c2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc12 587037731 MRPHKYDHSJJWPJ-UHFFFAOYSA-N 453.936 6.256 5 1 JKBF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)n2n1 587120809 WHIAQFBTKFHLQH-UHFFFAOYSA-N 481.441 6.055 5 1 JKBF COc1cc2c3c(c4ccc(OCc5ccccc5)cc4c2cc1OC)CN1CCCC[C@@H]1[C@H]3O 1772633136 FCCVUYVUMQFYQT-PDDLMNHVSA-N 469.581 5.991 5 1 JKBF Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 72118096 FZOADVDECNJDTK-RUZDIDTESA-N 469.472 5.560 5 1 JKBF COc1ccccc1CCNc1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174870 XHQLMUWKDUVGCK-UHFFFAOYSA-N 483.553 5.992 5 1 JKBF O=C(Nc1nc[nH]c1[N+](=O)[O-])c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1857627780 AZHDXGPDPCGCNF-DHZHZOJOSA-N 483.513 5.163 5 1 JKBF CCCCc1ccc2[nH]c3ccccc3c(=Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)c2c1 1857748607 WKGCZLRXBUTNMO-UHFFFAOYSA-N 485.591 6.538 5 1 JKBF COc1ccc([N+](=O)[O-])cc1CSc1nc2cc(NC(=O)C(C)(C)C)ccc2n1C(C)C 28524331 PWJMADQXISVYFR-UHFFFAOYSA-N 456.568 5.811 5 1 JKBF O=C1c2ccccc2CS[C@]12ON=C(c1ccc(Cl)cc1)[C@H]2c1ccc([N+](=O)[O-])cc1 31909955 AUYAUUMMBWPIBH-OFNKIYASSA-N 450.903 5.592 5 1 JKBF CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]12 103170842 GZUGYMKFGRQTQQ-VJBWXMMDSA-N 488.598 5.572 5 1 JKBF O=[N+]([O-])c1cccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]32)c1 254129222 DIFMRIZVFMWUOY-RZCBTRPQSA-N 467.569 6.241 5 1 JKBF COc1cc(/C=C/c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C 587045931 JWJGOQXVLFFGOE-SNAWJCMRSA-N 480.746 6.101 5 1 JKBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc12 587110467 YDZOKSVRANFSFD-UHFFFAOYSA-N 468.313 6.363 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3cc(Cl)cc(Br)c3[nH]2)c(C)c1[N+](=O)[O-] 587264579 IJFVXEQYHDQIRK-UHFFFAOYSA-N 460.719 5.416 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2cc2ccc3cccc4ccc1c2c34 587604318 SOZGJPUIMLHMKW-LXANVCGNSA-N 482.535 7.483 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)N1 587857491 QTFVOLRDIFMQCM-NSPYISDASA-N 487.354 5.496 5 1 JKBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 587863211 UXBSKHVGDWXCJN-UHFFFAOYSA-N 487.390 5.346 5 1 JKBF O=c1c(-c2c(F)cccc2Cl)coc2cc3occ(-c4c(F)cccc4Cl)c(=O)c3c(O)c12 653882323 LFBTXETWQUNJNL-UHFFFAOYSA-N 487.241 6.524 5 1 JKBF O=[N+]([O-])c1cc(-c2nnc(SCc3ccccc3)n2Cc2ccccc2)cc(C(F)(F)F)c1 1857576289 CJGATUYITYPANU-UHFFFAOYSA-N 470.476 6.213 5 1 JKBF Cc1nc(C(=O)Nc2ccc(Cl)cc2)sc1[C@@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1 12726755 ZLWCVYIZBHSHSA-OAQYLSRUSA-N 456.911 5.305 5 3 JKBF O=[N+]([O-])c1cccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2nc3ccccc3[nH]2)c1 587627955 MXFFRYOQNNOUHV-UHFFFAOYSA-N 490.363 7.324 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2nc3ccc([N+](=O)[O-])cc3s2)N1 587856039 HTLHIJNSCUWFOJ-DGIBIBHMSA-N 482.400 5.648 5 1 JKBF Cc1ccc(-c2nn(CCCN(C)C)cc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 1772619426 OLSYMJAGTFXINA-UHFFFAOYSA-N 461.573 5.450 5 1 JKBF CC1=C(C=CC=CC=CC=CC=CC=CC=CC=CC2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 2356347241 LTAFGCWFKPSPGC-RNPORBBMSA-N 486.740 8.431 5 1 JKBF O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2c(ccc3ccccc32)oc1=O 6006861 GZPNMFVPEZNCRB-UHFFFAOYSA-N 456.567 6.123 5 1 JKBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135950 GYKILGYXGRHEIS-UHFFFAOYSA-N 459.550 5.457 5 1 JKBF CCC(CC)(c1ccc(OCCCC(=O)NO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 207568076 OLOKNJPYMLKDDO-SANMLTNESA-N 485.665 5.860 5 1 JKBF Cc1cc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587059762 WCQVDJCENWYXKK-UHFFFAOYSA-N 450.861 5.340 5 1 JKBF Cc1c(Br)ccc([N+](=O)[O-])c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537383 DQASYCPXHVVVDA-NQIIRXRSSA-N 456.248 5.074 5 1 JKBF CN(c1ccccc1)c1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cc1[N+](=O)[O-] 962716201 WIAPVOKUIBJMLK-DENIHFKCSA-N 489.425 5.209 5 1 JKBF CC1(C)C=Cc2c(c3ccccc3c3oc4c(c(=O)c23)[C@@H]2OC(C)(C)C(=O)O[C@H]2c2ccccc2-4)O1 2356663225 YUVPEGVEHZJQDJ-SVBPBHIXSA-N 480.516 6.245 5 1 JKBF O=c1cc(COc2ccc(-c3cc(-c4ccccc4)nc(=S)[nH]3)cc2)c2ccc3ccccc3c2o1 49803653 XYKHELAKLXXRGN-UHFFFAOYSA-N 488.568 7.312 5 1 JKBF CN(C/C=C/c1ccccc1)CCOCCn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21 49808321 OMURGMBDTMHKIB-MDWZMJQESA-N 486.572 5.185 5 1 JKBF O=C(O)c1cc(-c2nc(-c3ccc(F)c(Cl)c3)cs2)ccc1-c1ccccc1[N+](=O)[O-] 204999624 JZZZMGRKNOOPQC-UHFFFAOYSA-N 454.866 6.543 5 1 JKBF COc1cc2cc(C(=O)C[C@@H]3CC[C@@H](O)C[N@@+](C)(Cc4ccccc4)CC3)sc2cc1OC 253837971 ZFPAYSSATREUMU-RPAZBDDQSA-N 468.639 5.299 5 1 JKBF COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5ccc(Cl)c([N+](=O)[O-])c5)[nH]c4c3)o2)cc1 587047095 AXCNAPSOGQQJIS-JYOAFUTRSA-N 473.876 6.021 5 1 JKBF CCCCn1c2cccc3c2c2c4c1cccc4[n+](CCCC)c1cccc(c21)n3CCCC 1857583140 AIFSUKOOKMAARQ-UHFFFAOYSA-N 450.650 8.181 5 1 JKBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccccc1F 4295095 VOMOICNDLLXYNX-XZOQPEGZSA-N 475.948 5.760 5 1 JKBF CCN(CC)CCOc1ccc2cc3ccc(OCCN(CC)CC)c(Cl)c3nc2c1Cl 29412587 KBRYAUAQFKOQFH-UHFFFAOYSA-N 478.464 6.136 5 1 JKBF O=C1c2ccc(F)cc2[C@](OCC2(CO)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 72125991 WZZZXECBBBUJLA-AREMUKBSSA-N 496.922 5.034 5 1 JKBF O=[N+]([O-])c1ccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@@H]32)cc1 299814122 LMBHSQMAJGISMT-AKPJXSIGSA-N 467.569 6.241 5 1 JKBF CC(=O)N[C@@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(Br)cc1 586986063 VEOXRUSZBGILPF-QFIPXVFZSA-N 458.359 6.052 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 587015110 FSUCLOBFQIOSHF-UHFFFAOYSA-N 470.135 6.331 5 1 JKBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587265107 CHVMLGGOFZLVAL-ZETCQYMHSA-N 474.193 5.334 5 1 JKBF COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5ccc(-c6ccccc6[N+](=O)[O-])o5)nc4c3)o2)cc1 587266320 YKLRIPWZGINURA-UHFFFAOYSA-N 479.452 6.124 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)N1 587748301 UHKSNOHSXAALRA-BSEYFRJRSA-N 495.352 5.393 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 587751475 MWVYLNFXLUDURT-DMZKTXOQSA-N 457.299 5.912 5 1 JKBF O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nc2ccccc2c2nc3c4nsnc4ccc3n12 66259687 QSEUERMHFSKBRU-UHFFFAOYSA-N 490.331 6.121 5 1 JKBF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c(=O)oc2c1C 586917097 DOCAUYDJLKPAPQ-UHFFFAOYSA-N 478.461 5.038 5 1 JKBF Cc1c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979464 CVZFLNIWZOGERE-UHFFFAOYSA-N 495.049 5.870 5 1 JKBF O=S(=O)(Nc1ccsc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(F)cc1 587170620 ROHQJLCILOVPPA-UHFFFAOYSA-N 475.530 5.328 5 1 JKBF CCCOc1cc2nc([C@@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2cc1Br 587263908 OZVMDPPHZXTUBW-GFCCVEGCSA-N 492.326 5.374 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 587576244 NQJIYNAGUKTYPZ-LBNVMWSVSA-N 493.475 5.277 5 1 JKBF C[N+](C)(C)c1cccc(C(=O)OCCCCCn2ccc3cc(OCc4ccccc4)ccc32)c1 27080842 XWYYIYPNTRGZCU-UHFFFAOYSA-N 471.621 6.444 5 1 JKBF COc1c(O)cc2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C 238757319 SOCAUSWRRPKJMP-WOJGMQOQSA-N 478.585 6.816 5 1 JKBF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587195455 HSXGHNQSXRUMGN-UHFFFAOYSA-N 461.316 5.580 5 1 JKBF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc([N+](=O)[O-])c(OC)cc2CC3)c1 587363632 VKIJELHRNWHTIP-UHFFFAOYSA-N 452.466 6.339 5 1 JKBF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccc([N+](=O)[O-])cc1 587511807 JCAIUTGSTPOPSK-VWLOTQADSA-N 459.498 5.768 5 1 JKBF COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)cc1 103935253 QJURPIXPJYCNBV-CHAGWJKLSA-N 485.496 5.961 5 1 JKBF Cc1cc2[nH]c(-c3ccc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)nc2cc1[N+](=O)[O-] 587170388 AURTWUYCRUWDQX-UHFFFAOYSA-N 460.874 5.040 5 1 JKBF COc1ccc(-c2ccc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)cc2)cc1OC 587928024 WALSYAIHYWQSKL-UHFFFAOYSA-N 454.280 5.585 5 1 JKBF COc1ccc2c(c1)CC[C@H](c1ccc([N+](=O)[O-])cc1)[C@]21c2cc(OC)c(OC)cc2C[C@H](C)N1C 962621507 HBFJLGIWPZJPRH-LYEXSPNPSA-N 488.584 5.471 5 1 JKBF CNc1nc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c(Cl)cc1C(F)(F)F 31501456 JYRXIDDMOJYCNX-UHFFFAOYSA-N 494.135 6.028 5 1 JKBF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 82134665 UWWPEOZGKBKMRO-GAJHUEQPSA-N 477.540 5.154 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586998726 OQSQEGZNQALJTP-VURMDHGXSA-N 489.123 6.427 5 1 JKBF COc1cccc(-c2cc(-c3ccc(Br)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587356838 AIHLMQGKZCMRSS-UHFFFAOYSA-N 475.298 6.994 5 1 JKBF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587421898 OCCFCXHBGDPIRH-GAJHUEQPSA-N 456.281 5.601 5 1 JKBF CCOC(=O)C1CCN(c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])CC1 587509730 ISPACDLTEXOVQQ-MUUNZHRXSA-N 492.572 5.134 5 1 JKBF CCN(CC)c1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587664873 FOVFGHZQLDXKFR-UHFFFAOYSA-N 498.461 5.532 5 1 JKBF CCCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 27646152 XQJOSNKKPXMAFV-QFMPWRQOSA-N 487.434 7.882 5 1 JKBF Cc1nc2sc3c(c2c2nc(Oc4ccc([N+](=O)[O-])cc4)n(-c4ccccc4)c(=O)c12)CCCC3 45335032 AXKQJAJNYBVGHU-UHFFFAOYSA-N 484.537 5.883 5 1 JKBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148686 MJGVLKPDPNFAOC-RTBURBONSA-N 491.567 5.496 5 1 JKBF Clc1cccc(OCc2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)o2)c1Cl 587054741 AZZDCVWOORGDPP-UHFFFAOYSA-N 461.308 6.805 5 1 JKBF Clc1ccc(CC/C(=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc2)cc1 587073569 LFHZHXJCPKPWIC-UZYVYHOESA-N 460.968 7.486 5 1 JKBF O=C(N[C@H](c1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 587224969 UGMWEYPLHCQPLA-RUZDIDTESA-N 491.507 5.494 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587733912 PEMFFAFLKZDUQU-IPQOISQHSA-N 475.289 6.051 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 587751642 NJERSSYZSCAZNX-DUGLGYKQSA-N 467.338 5.988 5 1 JKBF C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587840390 IVIWHQWOMMOEFE-CFAZGSRYSA-N 496.376 6.065 5 1 JKBF COc1cc([C@]2(c3ccc(C)cc3)c3ccsc3CCN2Cc2cccnc2)cc([N+](=O)[O-])c1O 963015643 UXADSXSHPSFFHH-HHHXNRCGSA-N 487.581 5.424 5 1 JKBF COc1cc2cc(C(=O)C[C@H]3CC[C@H](O)C[N+](C)(Cc4ccccc4)CC3)sc2cc1OC 36286925 ZFPAYSSATREUMU-LPNIRQPWSA-N 468.639 5.299 5 1 JKBF C[C@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163505 IUZSUOOYAGIESH-HTAPYJJXSA-N 471.586 6.833 5 1 JKBF CCCCCc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174365 TZDZEFGNQGYBIP-UHFFFAOYSA-N 491.979 7.013 5 1 JKBF C[C@@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C 105175224 QNJMGVKWHUUZMU-GSGKNRHYSA-N 491.636 5.845 5 1 JKBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCc2ccc(-c3ccccc3)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 169723591 YOLJACOKHSYUOL-AHKZPQOWSA-N 498.535 5.627 5 1 JKBF CC(C)CCOc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1Br 587149367 GNBZTQLMMQZEAZ-UHFFFAOYSA-N 452.280 5.377 5 1 JKBF CCc1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c(OC)c([N+](=O)[O-])c1 587362695 JQBZFTNGTLFFFY-UHFFFAOYSA-N 454.482 6.803 5 1 JKBF COc1cc(C(=O)c2cn(-c3ccc(C)cc3)cc2-c2ccccc2[N+](=O)[O-])cc(OC)c1OC 1857583896 PSQVIMUYVADQEL-UHFFFAOYSA-N 472.497 5.618 5 1 JKBF COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3C[N@+]1(Cc1ccccc1)CCC2 1857589872 FMFKCGXYGXCHJU-SETSBSEESA-N 460.594 5.482 5 1 JKBF COc1ccc2c(ccn2CCCCCCCCCOC(=O)c2cccc([N+](C)(C)C)c2)c1 27083806 XLTAOQQKHDLTHA-UHFFFAOYSA-N 451.631 6.434 5 1 JKBF CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2-c2ccccc21 43122935 ZCGOYQXWRQDKNB-BRRDBMODSA-N 468.617 5.594 5 1 JKBF Nc1nc(-c2cccc([N+](=O)[O-])c2)cc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)n1 82157866 QZQMREMVZJKLMR-UHFFFAOYSA-N 452.449 5.293 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586969718 WHGCTKQGZCCZFT-UHFFFAOYSA-N 474.302 6.668 5 1 JKBF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C)c([N+](=O)[O-])c1C 587514377 XEXFAANPUMYJTJ-XMMPIXPASA-N 461.518 5.050 5 1 JKBF O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1-n1nc2cc1Oc1ccc(F)cc1-2 587874845 DCLPZFHPEHTELW-UHFFFAOYSA-N 486.868 5.147 5 1 JKBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)N1 963187638 SHHYSHQLBWSPOD-UTKZUKDTSA-N 479.842 5.001 5 1 JKBF O=[N+]([O-])c1ccc(C[C@]2(C(F)F)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 963830857 CPDQJWUYKXGGTP-SANMLTNESA-N 463.484 5.504 5 1 JKBF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(O[C@H](C)c2ccc([N+](=O)[O-])s2)c1O 1911572297 UTJJJHQJJOVLGJ-LMVHVUTASA-N 487.530 5.707 5 1 JKBF c1ccc(-[n+]2nc(Nc3cccc4ccccc34)sc2-c2c3ccccc3cc3ccccc23)cc1 15936850 OKBGUDXIVQULKP-UHFFFAOYSA-N 480.616 8.290 5 3 JKBF COc1ccc([N+](=O)[O-])cc1CSc1nc2cc(NC(=O)NC(C)C)ccc2n1C(C)C 28523617 ODAVDFMIZHSDMT-UHFFFAOYSA-N 457.556 5.356 5 1 JKBF C[C@H]1CCCN(c2c/c(=C\c3ccc(C(=O)O)cc3)c3c(O)c4ccccc4c4onc2c34)C1 169728461 PNSKVEDMXUNUTC-HUCUOGIVSA-N 452.510 5.322 5 1 JKBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1C/C=C(/C)CCC=C(C)C)C[C@@H](O)C(C)(C)O4 218908389 SZJVILSJACSJTP-VXBLWCAWSA-N 494.584 5.676 5 1 JKBF Brc1c(OCc2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc2ccccc12 587002670 YGESPLMGTQOUFT-UHFFFAOYSA-N 455.315 6.154 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@H]2CCCC[C@@H]21 587026986 ODJSYNKRJXKKEU-NGXZDTIWSA-N 465.622 7.006 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587067520 FGAWPIVUVXPVST-UHFFFAOYSA-N 464.106 6.269 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1)O2 587408435 GJJLSCJIUKMYDL-OAQYLSRUSA-N 454.935 6.138 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1C)(c1cc([N+](=O)[O-])ccc1Cl)CC2=O 587462502 OMHGGSBUDGBIMN-SANMLTNESA-N 465.933 6.432 5 1 JKBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCn1nc(C)c([N+](=O)[O-])c1C 587512939 PXZNDHQNDLKWBV-QHCPKHFHSA-N 477.517 5.039 5 1 JKBF CCN1C(=O)[C@@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3cccc([N+](=O)[O-])c23)c2ccccc21 587649451 VBWYWCQSLXNJQD-NDEPHWFRSA-N 469.541 5.643 5 1 JKBF C[C@@H](CC(=O)O)[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587698682 ZTWRVNXCLFKTNN-GLXKHTEVSA-N 485.737 5.038 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 587717928 LVZCUMPUDBBSBL-MCMMXHMISA-N 459.290 5.462 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(F)cc1[N+](=O)[O-] 587855121 JAIKAUWGHGTTFJ-UHFFFAOYSA-N 454.241 5.022 5 1 JKBF C[C@@H](c1ccc([N+](=O)[O-])c(Cl)c1)[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962918356 IHYVOSVJDDOVGX-YNLFQQRNSA-N 482.920 5.364 5 1 JKBF O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 72105971 UISDQRXQWZRAAA-JXMROGBWSA-N 490.317 5.696 5 1 JKBF CCCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 82147742 WHSGHLCMXHRJAG-APMMZXSISA-N 451.571 5.064 5 1 JKBF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 82224567 JLMZLFQUULKNKR-AOMKIAJQSA-N 479.968 5.626 5 1 JKBF CCCCNC(=O)N1CC[C@H](CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84672434 OIFUKEYXUNJNJZ-GOSISDBHSA-N 465.019 5.144 5 1 JKBF CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]3[C@@H]2C1 195514534 SCFFICSANODMCT-ZOPGQINVSA-N 471.557 5.909 5 1 JKBF O=C1C[C@H](Cc2nc3c4ccccc4c4ccccc4c3[nH]2)c2c(Br)cccc2O1 587001949 BTIRKCZQSUWMFH-AWEZNQCLSA-N 457.327 6.267 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587055972 RQQARAPJYROFPV-QHCPKHFHSA-N 478.936 5.831 5 1 JKBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587266802 OZNHAWIZOCUEJG-XUSGNXJCSA-N 490.501 5.190 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 587571685 ONWHZIRMUUOQKX-ZEQKJWHPSA-N 473.412 5.935 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2Cl)N1 587696616 LOXAQQYQVSIIDK-IPQOISQHSA-N 490.760 5.558 5 1 JKBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135416 GGFDJXFJPOPPBO-RBUKOAKNSA-N 459.550 5.315 5 1 JKBF Cc1ccc(CCNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82135830 LTWDVUDPCNYFQU-WOJBJXKFSA-N 473.577 5.133 5 1 JKBF CC(C)OC(=O)/C=C/COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 103207661 JMBNKZSIHRAPFS-ONEGZZNKSA-N 487.814 5.724 5 1 JKBF CC[C@@H](C)NC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 105176607 UOHCGRZDILBMAC-KTSNUXKOSA-N 451.571 5.063 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2cc(Br)ccc2c2cc(SC)ccc12 169339623 GYFKBLMLCNWMGT-VWLOTQADSA-N 474.508 7.413 5 1 JKBF O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 586955163 VCHJEXULKLYAFV-UHFFFAOYSA-N 493.592 5.381 5 1 JKBF CCOC(=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 587038436 SXZLNIGNJMTFKE-UHFFFAOYSA-N 476.539 6.076 5 1 JKBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587049155 PKPYMLDHTGXTQN-UHFFFAOYSA-N 464.309 5.088 5 1 JKBF O=c1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587052192 KHPULLIAMICBIN-UHFFFAOYSA-N 494.132 5.417 5 1 JKBF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1C 587165453 BTSGYYDZNRDOKD-UHFFFAOYSA-N 450.470 5.115 5 1 JKBF Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340726 WPRNFPZJNJPLER-AHKZPQOWSA-N 470.456 5.324 5 1 JKBF Cc1c(Br)ccc([N+](=O)[O-])c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537385 DQASYCPXHVVVDA-WIYYLYMNSA-N 456.248 5.074 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)c(O)c([N+](=O)[O-])c1 587572935 AMCKRKYTQVJDDV-YIXXDRMTSA-N 485.448 5.288 5 1 JKBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587948450 CTGATSXKHOXVRP-PHVLTXCSSA-N 476.620 8.154 5 1 JKBF C[C@]1(c2cc(Br)c(OC(F)(F)F)c([N+](=O)[O-])c2)c2ccc(F)cc2C[C@@H]2CCCN21 963111158 RIVPSARFIFWZJC-LIRRHRJNSA-N 489.263 5.679 5 1 JKBF Cc1c(O)ccc2c1[C@H](c1cc([N+](=O)[O-])ccc1Sc1nc3ccccc3s1)N[C@H](C(=O)O)C2 963522665 GAKNXFKNVKWCQQ-JTSKRJEESA-N 493.566 5.058 5 1 JKBF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 963613662 VIFHOAKITQVGAC-SHACYNPGSA-N 473.356 5.745 5 1 JKBF O=[N+]([O-])c1cccc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2ncc(-c3ccccc3)s2)c1 82163615 WQPLWZFDVIUYEQ-IBGZPJMESA-N 459.531 5.433 5 1 JKBF Cc1oc(-c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163708 QHBXXVXSLAMRMP-UHFFFAOYSA-N 455.518 5.919 5 1 JKBF Oc1ccc([C@H]2c3c(O)cc(O)c4c5cc(O)ccc5c5oc6cc(O)cc(c6c5c34)[C@H]2O)cc1 209649749 UCLCGNPHSGDGAW-KDYSTLNUSA-N 466.445 5.599 5 1 JKBF COC(=O)C1=C(C)NC(C)=C(c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)[C@H]1c1cccc(Cl)c1Cl 587055638 LXGZLGPKCKGONH-HXUWFJFHSA-N 487.343 5.651 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2)cc1 587272380 RTCJTSNBPPTTJE-UHFFFAOYSA-N 489.123 6.455 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1cc(OC)ccc1OC)CC2=O 587490470 GLKOSXDNNYNOQC-HSZRJFAPSA-N 495.553 6.128 5 1 JKBF CCN(CC)CCC[C@H](C)Nc1cc(C=Cc2ccc([N+](=O)[O-])cc2)nc2cc(OC)ccc12 1857622406 LJBAIPFUPVEHGJ-FQEVSTJZSA-N 462.594 6.244 5 1 JKBF CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]2C1 195512971 VXTVSKBDSNWWFW-JYQZWCOUSA-N 471.557 5.909 5 1 JKBF CCCCCCOc1ccc(Br)cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586980766 ADQDFFKVVDYQDX-UHFFFAOYSA-N 452.736 6.513 5 1 JKBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587262665 VZENDTZSGUFJNE-UHFFFAOYSA-N 460.206 5.062 5 1 JKBF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 963180413 LRJNVKVEMNYOSG-DENIHFKCSA-N 494.828 5.297 5 1 JKBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(Oc2cccc(C(=O)O)c2)ccc1[N+](=O)[O-] 13553383 LIFWISYGLPHFFF-NIJIEXERSA-N 470.522 5.501 5 1 JKBF CC[N+]1(C)CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 31853438 ATTLRCVUJOHHKI-QIMNEYHMSA-N 462.224 5.857 5 1 JKBF CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N=C(SCc2ccc(F)cc2)N1 102253730 ZGCNLPBEHSDQBL-HSZRJFAPSA-N 494.523 5.719 5 1 JKBF O=C(O)c1cc(-c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1-c1ccccc1[N+](=O)[O-] 205027176 LGAIHEOTVSZWBB-UHFFFAOYSA-N 471.321 7.057 5 1 JKBF O=[N+]([O-])c1ccc(S(=O)(=O)N(c2ccccc2)c2ccnc3ccc(-c4ccc(O)cc4)cc23)cc1 473114075 IQZJOMFSXSUWEN-UHFFFAOYSA-N 497.532 6.043 5 1 JKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587072845 YGAGKXGFLOMHGW-UHEBOXKZSA-N 481.177 6.907 5 1 JKBF O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)nc3cccc1c23 587104792 JCCOJALIHIPHRX-UHFFFAOYSA-N 458.473 6.600 5 1 JKBF CC(C)CCOc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1Br 587138931 BLHPRLACFWOUJF-UHFFFAOYSA-N 456.699 6.118 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 587552153 NWHPSMITROLCFI-BVAGGSTKSA-N 489.867 6.449 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)N1 587698291 UUPMVXFMAZMIBR-XMHCIUCPSA-N 475.745 5.976 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587732777 JQWTYAFTQPAACK-IKNJAGRRSA-N 485.328 6.127 5 1 JKBF Cc1cc2c(cc1F)[C@@](c1cccc([N+](=O)[O-])c1)(c1ncc(C(F)(F)F)cc1Cl)NCC2 962381359 YCPWIQUFQACGSH-NRFANRHFSA-N 465.834 5.547 5 1 JKBF O=[N+]([O-])c1ccc2nc(-c3ccccc3)cc(Nc3ccc(OCC4CCCCC4)cc3)c2c1 29339460 QMTLJEKFSABSQQ-UHFFFAOYSA-N 453.542 7.513 5 1 JKBF O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1cc(C(F)(F)F)ccc1Cl 31495615 FLTJRFADHRUGBZ-UHFFFAOYSA-N 464.105 6.591 5 1 JKBF Cc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163946 GSNAJAHZVCFOPZ-UHFFFAOYSA-N 491.551 6.645 5 1 JKBF CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174324 YGPFTUTYVKAOBE-LJQHDNKASA-N 463.607 6.220 5 1 JKBF CCCCCc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174654 NOMMECBXIBKGBU-UHFFFAOYSA-N 489.551 6.542 5 1 JKBF COC1CCC(/N=c2\cc3n(-c4ccc(F)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 95575167 BDOUGLGHBAAYIA-MUGXBBEHSA-N 493.586 6.266 5 1 JKBF CC(C)[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCc1ccccc1 587197217 AYCGOZUHUDDUNV-KRWDZBQOSA-N 461.316 5.199 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1)CC2=O 587458675 BLBKLNJKQBHQDO-HSZRJFAPSA-N 453.878 6.405 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)N1 587842733 FVSQBHXQNASRAN-XMHCIUCPSA-N 473.367 6.271 5 1 JKBF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(OCc2ccc([N+](=O)[O-])s2)c1O 1911579703 JVQDJQPFGUGLSC-WAYWQWQTSA-N 473.503 5.146 5 1 JKBF C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(Br)cc1 13812782 GQMRLLQNWQUYAQ-UHFFFAOYSA-N 488.902 7.372 5 1 JKBF COc1ccc2oc3c(C/C=C(\C)CCC=C(C)C)c(OC)c(CC=C(C)C)c(O)c3c(=O)c2c1 71294528 FDMSKCVKBGEPPW-UDWIEESQSA-N 476.613 7.413 5 1 JKBF CC(C)CN(C)c1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 82135954 YQSMJMCRRUVJHX-UHFFFAOYSA-N 461.566 5.195 5 1 JKBF O=S(=O)(Cc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccccc1 586922605 XHWRBMXPUYMDNZ-UHFFFAOYSA-N 450.523 5.300 5 1 JKBF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587121553 CDLXDJDDYJDWEI-UHFFFAOYSA-N 499.268 6.231 5 1 JKBF O=[N+]([O-])c1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1F 587152938 IRSRUXUBHWNCIW-UHFFFAOYSA-N 464.457 5.289 5 1 JKBF COc1cc(C=O)ccc1Oc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 587644890 PXUGCNFQRRGLAW-UHFFFAOYSA-N 457.269 6.663 5 1 JKBF COc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 72179037 KAIPUKWGKWACRM-XMMPIXPASA-N 490.972 6.736 5 1 JKBF COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(C/C=C(\C)CCC=C(C)C)c1OC 139683949 NIIDGSKOWSBCBF-XDHOZWIPSA-N 492.612 7.119 5 1 JKBF O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1nc(NCc3cccnc3)ncc12 167690141 XHNCKMQBPYSUTF-UHFFFAOYSA-N 474.883 5.419 5 1 JKBF CC(C)=CCOc1ccc2c(C)c(Cc3nc4c5cccnc5c5ncccc5c4[nH]3)c(=O)oc2c1C 586916898 AHACWCDNLVVJSD-UHFFFAOYSA-N 490.563 6.318 5 1 JKBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc1Cl 587047298 FLGKKNINNSCIFM-RQOWECAXSA-N 462.609 5.956 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC1 587269741 NQFGXUQISAHNKA-UHFFFAOYSA-N 468.819 5.043 5 1 JKBF COC(=O)c1ccc(Oc2ccc3nc(-c4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)[nH]c3c2)cc1 587272441 SGWXMHUBOFLAAX-UHFFFAOYSA-N 481.464 6.509 5 1 JKBF Nc1c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2cc([N+](=O)[O-])ccc12 587574339 FKCFAYSHZLLFTJ-FIPFOOKPSA-N 494.459 5.534 5 1 JKBF COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587749509 YXTGNCRWFIANLA-MYYSRTQBSA-N 485.353 5.526 5 1 JKBF CC=C(C)[C@@H]1C(C)=C[C@@H]2[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)CC[C@H](C)[C@@H]2[C@H]1C=CC=CC(=O)OC 2356873604 ZMVFZQUHAVPKMC-VFKPVOMBSA-N 493.600 6.226 5 1 JKBF COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCCCCCC[N+](C)(C)C)C2 14947227 YFOICIKINPJQRA-ZBQRRTSWSA-N 499.760 5.828 5 1 JKBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1CC[C@H]3N1Cc1ccccc1 27549498 FXBUSWYKVIRYNT-ZRZAMGCNSA-N 482.543 6.093 5 1 JKBF O=C(Cc1ccc([N+](=O)[O-])cc1)N(C1CC1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 28357402 LHMMMGAFFFXLDU-UHFFFAOYSA-N 497.639 5.815 5 1 JKBF O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1cccc([N+](=O)[O-])c1 96167948 ZKLVUDDHNBNQKI-UHFFFAOYSA-N 481.317 5.346 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2ccc(Cl)cc2c2cc(C(F)(F)F)ccc12 169339003 SZCZHQOUBGWWQF-XMMPIXPASA-N 451.960 7.601 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc1Sc1nc2ccccc2s1 587037324 HNCZZVJOGUOMCD-UHFFFAOYSA-N 488.529 6.224 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)c(F)c2[nH]1 587054250 JERABGCTIRWOMG-OAHLLOKOSA-N 469.698 5.153 5 1 JKBF Cn1nc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587129973 AQEZEIYBXILJNC-UHFFFAOYSA-N 491.501 7.086 5 1 JKBF O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587512247 MLZFLBUDDFOGHI-SANMLTNESA-N 465.509 6.033 5 1 JKBF O=[N+]([O-])c1ccc(C2=CSC3=NC4=C(CSc5ccccc54)[C@H](c4ccc(Cl)cc4)N23)cc1 653895743 FLRCRCJMNVXRGQ-DEOSSOPVSA-N 490.009 7.223 5 1 JKBF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3ccc(SC4CCCCC4)c([N+](=O)[O-])c3)N12 962669873 QNDVQVVILOGEAC-RPLLCQBOSA-N 491.613 5.756 5 1 JKBF CCOC(=O)CCCCC[C@]1(c2ccc([N+](=O)[O-])cc2)c2ccsc2CCN1Cc1ccco1 962714490 WDNYSOSYXLVNRA-SANMLTNESA-N 482.602 6.065 5 1 JKBF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])ccc3SCC(C)C)nc2c1 586969673 VMFKTAIYFSJPKL-UHFFFAOYSA-N 478.368 5.825 5 1 JKBF O=[N+]([O-])c1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)ccc1Cl 587049088 HAKDDFWNPXTOAQ-SGAXSIHGSA-N 489.340 5.749 5 1 JKBF O=c1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587051619 FKJASUGTACVBGS-UHFFFAOYSA-N 494.132 5.417 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3[N+](=O)[O-])c(OC)c1)CC2=O 587472760 MKNYPXAHPHMNFZ-DEOSSOPVSA-N 463.486 5.547 5 1 JKBF O=C1C[C@@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587512225 MHTZLBRSCDGQOR-HHHXNRCGSA-N 453.498 5.453 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)N1 587695483 JZTXMULEXJCMPC-FIKIJFGZSA-N 495.732 5.945 5 1 JKBF CCN(CCCCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1OC 1772582620 XZUISZGMTWOTGD-UHFFFAOYSA-N 491.653 6.590 5 1 JKBF CCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(COCCCn3c([N+](=O)[O-])cnc3C)n12 1857752862 VIADFGROHQXYRD-UHFFFAOYSA-N 491.573 5.635 5 1 JKBF C[N+]1(C[C@H](O)CCCCCc2ccccc2)CC[N+](C)(C[C@H](O)CCCCCc2ccccc2)CC1 89470217 YZOARLJSCAVKBT-UJTVJLQXSA-N 496.780 5.221 5 1 JKBF CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2ccc([N+](=O)[O-])cc2)cc1 101017180 QVBAYKRYPXSOOL-UIOOFZCWSA-N 471.557 5.566 5 1 JKBF FC(F)(F)c1cc(-c2ccc3c(ccc4ccccc43)c2)n(-c2ccc(Cc3nnn[nH]3)cc2)n1 169702684 PNVFLVAZZPBCKK-UHFFFAOYSA-N 470.458 5.968 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc([N+](=O)[O-])c1 587136013 VCLFGOFPULTQOV-UHFFFAOYSA-N 466.341 6.302 5 1 JKBF COC(=O)c1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c(F)c1Nc1ccccc1 587266233 XOPDDDZEYIVZLG-UHFFFAOYSA-N 472.432 6.067 5 1 JKBF CCCc1c(O)ccc2c1O[C@](c1ccc(SC)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)CC2=O 587491199 KJQFRQHODHOLRC-AREMUKBSSA-N 493.537 5.582 5 1 JKBF O=C(c1ccc(Cl)c(Cl)c1)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12 587644587 GGIWRKNHSHVXMP-UHFFFAOYSA-N 480.134 7.588 5 1 JKBF O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)Nc1ccc(F)cc1F 1772590716 SQINTLSGPAHDLE-UHFFFAOYSA-N 486.887 6.961 5 1 JKBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 4215755 MSVGDDVEJQUGLW-MPMWTEJESA-N 475.948 6.279 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(Cc1ccc([N+](=O)[O-])cc1)CC3 95560110 PQVGSSYQCOXNIQ-UHFFFAOYSA-N 488.540 5.494 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc1Sc1nc2ccccc2s1 587038984 WHDJRGPOLHDKHW-UHFFFAOYSA-N 490.463 7.057 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(Br)c2[nH]1 587053355 DDIGFVXCRNNAMO-HNNXBMFYSA-N 451.708 5.014 5 1 JKBF COc1ccc(-c2nnc(-c3ccc4nc(-c5cc([N+](=O)[O-])ccc5N5CCCC5)[nH]c4c3)o2)cc1 587268768 DSEJBNZOWFKAKG-UHFFFAOYSA-N 482.500 5.464 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)N1 587743704 BFYGQHWXPYSSNM-LFPIHBKWSA-N 495.352 5.393 5 1 JKBF CCc1c([C@H](C)c2c(F)cccc2F)nc(SC/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O 28862988 CNBYEBZABPYAED-VBROQKIQSA-N 457.502 5.476 5 1 JKBF CSc1nc([N+](=O)[O-])cn1C[C@@H](OCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 66097976 CLHKEYWOWWDRHS-QGZVFWFLSA-N 472.781 6.432 5 1 JKBF COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 72179212 IWHMPMPSXVTDKW-DEOSSOPVSA-N 456.527 6.083 5 1 JKBF Cc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163925 VWEZTMCVYCMGLX-UHFFFAOYSA-N 465.966 6.100 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NC[C@H]3CCCO3)ncc2-c2ncc(-c3ccccc3)s2)cc1 82174472 WTWDQBXECLCFEI-LJQANCHMSA-N 459.531 5.433 5 1 JKBF Cc1nc2c3ccccc3ccc2c2nc3c(ccc4ccccc43)c(-c3ccccc3Cl)c12 103299555 AOKNRUNHHSBNQT-UHFFFAOYSA-N 454.960 8.871 5 1 JKBF CCCCOc1cc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2cc1Br 587266156 WEHYPKSIUNZERI-UHFFFAOYSA-N 498.381 5.941 5 1 JKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)c1 587270879 VQGWSFWFQODNHC-UHFFFAOYSA-N 463.213 5.981 5 1 JKBF C[C@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332605 RODHFNMJKMOGGJ-ISKFKSNPSA-N 484.867 5.239 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc2)N1 587749908 ZZSLMWUEYJRDAS-VERVWZFWSA-N 485.309 5.485 5 1 JKBF C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1857560128 XOFUBFKYDOPJSX-GZSZWSCKSA-N 480.649 5.582 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 587049842 MFPQHFBULGIGTK-UHFFFAOYSA-N 478.733 7.374 5 1 JKBF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587168191 UYRNKEZDOXPQLC-UHFFFAOYSA-N 475.530 5.328 5 1 JKBF O=S(=O)(N[C@H](c1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(F)cc1 587170442 CFHUWBOPNDOMJI-RUZDIDTESA-N 481.552 6.076 5 1 JKBF COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1ccc4c(oc(=O)c5ccccc54)c1C)[C@@H](C2)C3=O 587450784 GHZDGPKHNPLWOQ-VBRHMGKLSA-N 456.494 5.237 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)N1 587749515 YZANYFSOPUZZEF-XMHCIUCPSA-N 486.297 5.231 5 1 JKBF O=[N+]([O-])c1ccccc1[C@]1(C(F)(F)F)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962648861 XCWGFFUWHGQGKD-YKSBVNFPSA-N 453.464 5.148 5 1 JKBF CN(CCOc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1)Cc1ccccc1 13603159 JRSCZVLXYATRAH-UHFFFAOYSA-N 477.564 5.444 5 1 JKBF O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(CCc2ccc(Cl)c(C(F)(F)F)c2)cc1 40936755 OZXOIUUUECWILZ-UHFFFAOYSA-N 464.827 6.494 5 1 JKBF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N+](C)(CCc4ccccc4)[C@@H]2N3C)cc1 53246861 QAOKOBSRMLDYEY-OAIMCMEGSA-O 484.664 6.548 5 1 JKBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149128 QUGJPAGTGNQYLW-OALUTQOASA-N 459.550 5.315 5 1 JKBF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587018740 NEOFNDRYENZEMT-UHFFFAOYSA-N 467.765 6.881 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H]2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 587576228 NKGVUILASBSGRE-WSUBETFTSA-N 476.441 5.267 5 1 JKBF CC[C@H](C)c1ccc2[nH]c(C)c([C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c2c1 587640616 BQUHXUSHESOJTK-BLHYWNLJSA-N 482.536 6.448 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)N1 587699446 XDCBDYZUFPAAPW-GIPWTMENSA-N 464.722 5.564 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2F)N1 587728849 TZLGKZXJSXSCJF-VERVWZFWSA-N 474.305 5.044 5 1 JKBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(Cl)c1Oc1ccccc1OC 587940413 JCHBBZUFESCNCZ-OAHLLOKOSA-N 460.914 6.067 5 1 JKBF COc1cc2c3c(c4ccc(OCc5ccccc5)cc4c2cc1OC)CN1CCCC[C@H]1[C@H]3O 1772633135 FCCVUYVUMQFYQT-FREGXXQWSA-N 469.581 5.991 5 1 JKBF CC(C)=CCC[C@@]1(C)C=Cc2cc3c(=O)c4c(O)cc5c(c4oc3c(O)c2O1)C=CC(C)(C)O5 2356592968 RXLXNBUNYYKWKN-NDEPHWFRSA-N 460.526 6.452 5 1 JKBF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587082734 DFJGMMXYGGAYNZ-VOTSOKGWSA-N 462.724 6.155 5 1 JKBF Cc1cc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2cc1[N+](=O)[O-] 587152933 IPWZPOJDETVLFY-UHFFFAOYSA-N 460.494 5.459 5 1 JKBF C[C@@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587200323 XXEJBYBMNJNIRL-AWEZNQCLSA-N 460.465 5.552 5 1 JKBF C[C@@]1(c2ccc(Br)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322106 LKZMIHPVOUVEKE-IRLDBZIGSA-N 472.266 5.476 5 1 JKBF C[C@@]1(c2ccc(Br)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324465 ZKKOANIIJBILGI-UNMCSNQZSA-N 472.266 5.476 5 1 JKBF CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568107 KVMRBCDWPSPBKK-SHQCIBLASA-N 486.455 5.387 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccccc2[N+](=O)[O-])o1 587577988 VGBDJFOKVCIDQY-WIOPSUGQSA-N 459.410 5.175 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)C)c(-c3ccc(Cl)cc3)c2c1 587618201 OVRPBLIAQCTPNW-UHFFFAOYSA-N 499.976 6.329 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c3ccccc3cc3ccccc23)(C(F)(F)F)N1 587709331 KYACRYAMSBBZQO-SHACYNPGSA-N 488.322 7.235 5 1 JKBF Cc1ccnc2c1CCN[C@@H]2c1c(Sc2ccc(C(C)C)cc2)n(C)c2ccc([N+](=O)[O-])cc12 963067705 AAARPUGTZMYPIH-AREMUKBSSA-N 472.614 6.300 5 1 JKBF CCCC1=Cc2nc1ccc1[nH]c(cc1CCO)c1nc(ccc3[nH]c2cc3CCC)C(CCO)=C1 26673304 YSPNUVYIXWXJQK-UHFFFAOYSA-N 482.628 6.066 5 1 JKBF COc1ccc2c(CN3CCC[C@H](NC(=O)OC(C)(C)C)C3)cc3cc4c(cc3c2c1)OCO4 43077299 VGZVXNFVKNUTSN-IBGZPJMESA-N 464.562 5.219 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)cc1 587272638 OSXOYAUSHTZBNQ-UHFFFAOYSA-N 478.224 6.712 5 1 JKBF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccc([N+](=O)[O-])cc1 587574325 FCPUXXSLOJGAPM-LSYYVWMOSA-N 499.475 5.591 5 1 JKBF O=C(Nc1ccc(N=c2c3ccccc3[nH]c3ccc(Cl)cc23)cc1)Nc1ccc([N+](=O)[O-])cc1 653717417 BEKGNZRTWLSMTA-UHFFFAOYSA-N 483.915 6.759 5 1 JKBF CC(C)(C)c1ccc(Cn2c(=O)c(C(=O)NCCc3ccccc3)cc3c([N+](=O)[O-])cccc32)cc1 1772623258 DZNRKKGJOAXZDT-UHFFFAOYSA-N 483.568 5.228 5 1 JKBF O=NN1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 73221018 YRJRFHXFBFHYTR-HSZRJFAPSA-N 456.437 5.419 5 1 JKBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135417 GGFDJXFJPOPPBO-OALUTQOASA-N 459.550 5.315 5 1 JKBF CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@H](c3ccccc3[N+](=O)[O-])[C@@H]12 169301939 AVXDWKDDLIXKGO-ZLNRFVROSA-N 488.598 5.572 5 1 JKBF CCOP(=O)(OCC)[C@H](O)c1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1 169342907 RYYAOSBWLBJCKA-NRFANRHFSA-N 458.411 5.052 5 1 JKBF COc1ccc(-c2nc3sc(-c4ccc(F)cc4)nn3c2-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 299866733 WMGMYIXXTCQYGN-UHFFFAOYSA-N 486.488 5.724 5 1 JKBF CC(C)COc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br 587266228 JONCYUUYOYFJMU-NSHDSACASA-N 478.303 5.350 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)N1 587754334 YCVRHCSVNRQNFH-LAJNKCICSA-N 461.287 5.292 5 1 JKBF CC1(C)CCC(C)(C)c2c1cc(C(=O)c1ccc(C(=O)O)cc1)c(OCC(F)F)c2[N+](=O)[O-] 13979962 TZTZIUIOWUARPA-UHFFFAOYSA-N 461.461 5.517 5 1 JKBF c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\CCN2CCCC2)cc1 27642874 DDZAUBOEROFQSG-GKPLWNPISA-N 459.597 5.870 5 1 JKBF OC[C@@H]1CCCCN1Cc1cc2cc3c(cc2c2cc(OCc4ccccc4)ccc12)OCO3 28706267 GHTWIBURNOWYAE-QHCPKHFHSA-N 455.554 5.648 5 1 JKBF CC[C@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174716 ZESTYDZRDLMUJX-HNNXBMFYSA-N 491.573 6.070 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587053868 HIXCBZAEXADZGM-INIZCTEOSA-N 491.253 5.804 5 1 JKBF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cc2)cc1F 587147982 WLMKMBFHMUBSFL-UHFFFAOYSA-N 452.873 5.271 5 1 JKBF O=C1c2ccc(O)cc2O[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)[C@H]1c1ccc(F)cc1 587340881 IGZVEEGNQTWATI-AHWVRZQESA-N 458.445 5.585 5 1 JKBF CC(C)OC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587747200 NAQARBFJYOULJP-ZHEAFJKUSA-N 491.357 5.281 5 1 JKBF NCCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1 72116685 SPVLUERLPVVWIR-UHFFFAOYSA-N 474.486 6.152 5 1 JKBF O=C(NCC1CCCCC1)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1 82147971 BTYJSMPPTBYLNM-UHFFFAOYSA-N 477.540 5.156 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 82163442 GSVRLVQLWXZOGY-UHFFFAOYSA-N 473.558 6.205 5 1 JKBF O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cncc([N+](=O)[O-])c6[nH]5)c34)c12 586886087 ZPAAKIHPETVXOW-UHFFFAOYSA-N 460.449 6.205 5 1 JKBF Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587116966 CQYYEYYWYNXCSQ-SECBINFHSA-N 477.472 5.194 5 1 JKBF CC[C@]1(CSc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369585 LLMDPCZWEJNUNE-LADGPHEKSA-N 453.491 5.740 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)N1 587749512 YZANYFSOPUZZEF-DMZKTXOQSA-N 486.297 5.231 5 1 JKBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1 587865803 JQIKFIHBMUWCKK-UHFFFAOYSA-N 499.449 5.118 5 1 JKBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccc(Br)cc2)c1O 587942833 BRYAWVJVRXTMBL-UHFFFAOYSA-N 486.091 5.436 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](c1cccc2ccccc12)CC(=O)N3 1857643437 AUSVDUVRAYJCSG-QHCPKHFHSA-N 493.559 6.655 5 1 JKBF Brc1cccc(Br)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 29136264 LSWQZCHGFUVGHM-UHFFFAOYSA-N 452.149 7.061 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 82163473 YIHBMSBAWNJLJQ-UHFFFAOYSA-N 487.585 6.596 5 1 JKBF CC(/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)C(=O)O 85951320 YMOJEHLMENKTSQ-GVCQAPIFSA-N 460.614 7.614 5 1 JKBF in-vitro C[N+]1(C)CCN(c2ccc(-c3nc(C4CCOCC4)oc3Sc3ccc(Cl)cc3)cn2)CC1 199788143 PABZZEMNCXZZAO-UHFFFAOYSA-N 486.061 5.332 5 1 JKBF CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587141864 DQKSZLGFWBMEIN-UGSOOPFHSA-N 476.892 5.393 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 587552155 NWHPSMITROLCFI-OZXSUGGESA-N 489.867 6.449 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 587752862 UBCUFPKVKDYGMM-DMZKTXOQSA-N 457.299 5.912 5 1 JKBF COc1ccc2c(c[n+]3c4c2cc(Cc2ccc(Cl)cc2)c2c5c(cc(c24)CC3)OCO5)c1OC 1857537894 JTZFVNNPZFKUDY-UHFFFAOYSA-N 484.959 5.980 5 1 JKBF NC(=O)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccccc3Br)c2)cc1 1857583830 WORMNFUXWGNEAU-UHFFFAOYSA-N 474.314 5.852 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NCC3CC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 82174356 GPDSVKSENMCWMH-UHFFFAOYSA-N 498.395 6.971 5 1 JKBF CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)C(F)(F)F 169309373 ZJKRNOYDZUGUON-JOCHJYFZSA-N 490.390 5.064 5 1 JKBF O=C(O)c1ccc2oc3ccc(OC[C@H](O)CSc4ccc(Cl)c(Cl)c4)cc3c(=O)c2c1 169321932 KOMLDWTUTYVHPO-ZDUSSCGKSA-N 491.348 5.483 5 1 JKBF Cc1ccc(S(=O)(=O)N2CCC(c3nc4c5ccccc5c5ccccc5c4[nH]3)CC2)cc1 586954996 RCPXLSSBVVRHQK-UHFFFAOYSA-N 455.583 5.746 5 1 JKBF COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5ccc(Cl)c([N+](=O)[O-])c5)[nH]c4c3)o2)cc1 587047096 AXCNAPSOGQQJIS-QDEBKDIKSA-N 473.876 6.021 5 1 JKBF COC(=O)c1cc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 587262022 LCLARYUUUSVUAV-UHFFFAOYSA-N 464.453 5.070 5 1 JKBF C[C@]1(c2cc(Br)cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322645 NRWAAGABTYYJJO-RBBKRZOGSA-N 472.266 5.476 5 1 JKBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OCC(F)(F)F 587496275 AYCYDNYCGLNHMU-SFHVURJKSA-N 451.397 5.130 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1Cl 587542313 INKZAQXZFIUITF-ZJSXRUAMSA-N 462.845 5.447 5 1 JKBF COc1cc([C@H]2c3ccsc3CCN2Cc2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1 962701233 CAUDFJLQPMMFOS-SANMLTNESA-N 476.554 5.985 5 1 JKBF O=[N+]([O-])c1ccc(Nc2nc(-c3cccc(C(F)(F)F)c3)nc3ccc([N+](=O)[O-])cc23)cc1 1857745473 DSZOFJXPHBIQQF-UHFFFAOYSA-N 455.352 5.876 5 1 JKBF CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccc(OCc5ccccc5)cc4c3cc12 28226824 DZSGCZDPNRTQIG-UHFFFAOYSA-N 466.629 6.901 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2ccc(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 169337778 FZVFBMMPLVSSDF-QFIPXVFZSA-N 486.405 8.254 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586968829 JQURVNGZERVWEU-UHFFFAOYSA-N 450.314 5.347 5 1 JKBF CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c([N+](=O)[O-])cncc6[nH]5)cc4)nc(O)c23)C1 587038142 LLAKSFLYOLJVSS-GFCCVEGCSA-N 472.530 5.425 5 1 JKBF Cc1c(F)cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1F 587132937 LXNLQXMYGQXSRJ-UHFFFAOYSA-N 498.441 6.099 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc([N+](=O)[O-])cc4Br)o1)[C@@H](C2)C3=O 587412960 KWYLIDPJGYVNTA-LHSJRXKWSA-N 456.248 5.115 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 587547493 LVQQTPLPJQRCHB-JYFHCDHNSA-N 489.867 6.449 5 1 JKBF Cc1ccc(C)c(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 587958891 LMDMBUSLXCHYRW-UHFFFAOYSA-N 490.515 6.053 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963011275 FXFKUESMSZLSRS-LADGPHEKSA-N 489.915 5.279 5 1 JKBF Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1Cl 95581507 FWSGIXGKIWDJGQ-UHFFFAOYSA-N 466.950 6.152 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc([N+](=O)[O-])c1 587137294 XXBSDLQSAZFWQT-UHFFFAOYSA-N 453.473 6.832 5 1 JKBF COc1cc(N)c(I)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587178468 CQMIZJNJBCLZEU-UHFFFAOYSA-N 465.294 5.732 5 1 JKBF CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587391340 VMFZGRSSAVDVRN-NDEPHWFRSA-N 486.524 6.189 5 1 JKBF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1C)(c1cc([N+](=O)[O-])ccc1Cl)CC2=O 587462495 OMHGGSBUDGBIMN-AREMUKBSSA-N 465.933 6.432 5 1 JKBF COc1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2nc3ccccc3n2C(F)F)cc(OC)c1OC 587646559 UYGQFEGANJSDCM-UHFFFAOYSA-N 494.454 6.181 5 1 JKBF CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O 2356706300 AWXQRWPOQLJGPZ-UHFFFAOYSA-N 498.751 10.276 5 1 JKBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCN(Cc2ccccc2)CN1C3 72113473 NXNOLWSVJVIHIY-OAQYLSRUSA-N 468.597 5.609 5 1 JKBF Cc1oc(-c2cnc(NCCc3ccccc3F)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163776 VWLBHKBEWGAOSZ-UHFFFAOYSA-N 495.514 6.476 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2cc(SC)ccc2c2cc(Cl)c(Cl)cc12 169338927 UEHZDRTXMOLMTJ-RUZDIDTESA-N 464.502 7.957 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c12 587081878 XJXPALSVGOCMLU-UHFFFAOYSA-N 495.720 6.475 5 1 JKBF COc1cccc(-c2cc(-c3cc4ccccc4c4ccccc34)nc3c2oc2ccccc23)c1 587365105 HVHOWYDNWOHNQJ-UHFFFAOYSA-N 451.525 8.630 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 587542936 KCSAAZVZCHVJTL-ZJSXRUAMSA-N 463.829 5.917 5 1 JKBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587577645 TZOYEZPKURULIM-RCZVLFRGSA-N 459.410 5.272 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])ccc2N)(c2ccccc2Cl)N1 587697338 OQLFVBILLLVMNX-IPQOISQHSA-N 490.760 5.558 5 1 JKBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1 587863061 PIBDYUWHVBVSSD-UHFFFAOYSA-N 497.429 5.753 5 1 JKBF COc1cc2cc(-c3nc4cc(Br)ccc4[nH]3)c3cc(OC)c(OC)cc3c2cc1OC 1857758979 LBMKKNCJGBXOGA-UHFFFAOYSA-N 493.357 6.333 5 1 JKBF CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774813 YZWJBCJPNUTUQP-LBPRGKRZSA-N 457.870 5.073 5 1 JKBF Cc1cc(C)cc(-c2c(OCC[C@H]3CCCCN3)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 26577869 IXZTVVBIBRTWRH-QGZVFWFLSA-N 455.942 5.285 5 1 JKBF CC(C)[C@@H]1N=C(C2CCCCC2)c2cc([N+](=O)[O-])ccc2N(Cc2ccc([N+](=O)[O-])cc2)C1=O 66073603 LFUIVDKTBLSZKM-QHCPKHFHSA-N 464.522 5.444 5 1 JKBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135555 YJNAXHWWSWTTEO-HDICACEKSA-N 451.571 5.162 5 1 JKBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148608 IZPSAUAJBWUHND-MSOLQXFVSA-N 493.995 5.968 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586977095 XUUWGEGKDWAWAE-UHFFFAOYSA-N 465.916 5.970 5 1 JKBF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587627024 LUDBNKWEBVGRBP-XZOQPEGZSA-N 474.900 5.896 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 587717297 FSBUPDNKJRMIQZ-QZTNRIJFSA-N 462.088 5.022 5 1 JKBF CCCCCCc1nnc(SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1Cc1ccccc1 1857556060 PHZKFZRBGWFRJJ-UHFFFAOYSA-N 455.540 5.558 5 1 JKBF O=c1c2cc(Br)c3ccccc3c2oc(=S)n1-c1ccc(Cl)cc1[N+](=O)[O-] 169324318 WANJBVYROARQQP-UHFFFAOYSA-N 463.696 5.790 5 1 JKBF Cc1c(O[C@H](C)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc2c1oc(=O)c1ccccc12 586994570 WRLMJFQEYSTBGA-QGZVFWFLSA-N 499.522 6.860 5 1 JKBF COC(=O)C1=C(C)NC(C)=C(c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1cccc(Cl)c1Cl 587055242 LGWPQZLHVXFFRT-GOSISDBHSA-N 473.316 5.343 5 1 JKBF CC(C)CCOc1cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2cc1Br 587272136 KQSYHOUAATTWNF-UHFFFAOYSA-N 496.361 7.118 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)N1 587695523 NWUNRMRRTKYDQL-GIPWTMENSA-N 464.722 5.564 5 1 JKBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587847597 UQPBKJMLFIACJV-QKFKETGDSA-N 487.394 6.580 5 1 JKBF CN(c1ccccc1)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cc1[N+](=O)[O-] 962716227 WIAPVOKUIBJMLK-UGKGYDQZSA-N 489.425 5.209 5 1 JKBF CC(C)CN(C)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1 82216964 STCATXIQERLWIQ-UHFFFAOYSA-N 453.930 5.045 5 1 JKBF COc1ccc(OC)c(-n2c(C)nc3c(-c4ccc(Cl)cc4)nc4ccccc4c3c2=O)c1 98082268 AJPSTSPWLQBLNE-UHFFFAOYSA-N 457.917 5.580 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 587018014 RAIUQRHMBMGULG-UHFFFAOYSA-N 467.308 5.649 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c4ccccc4c4ccccc4c3[nH]1)N2 587033332 YQVBAAWMDZTGEP-GEYIUBJWSA-N 470.623 6.996 5 1 JKBF COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4ccc(-c5ccccc5[N+](=O)[O-])o4)nc3c2)cc1 587264120 BOZJQRIVVUTQCR-UHFFFAOYSA-N 490.497 5.208 5 1 JKBF CC(C)(C)[C@@]1(COc2ccc([N+](=O)[O-])cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325898 HLXLZQWCZFOSFL-BVAGGSTKSA-N 499.922 6.316 5 1 JKBF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1cccc2[N+](=O)[O-] 587337580 BKCYOOAAHPWYBV-UFHPHHKVSA-N 481.435 5.287 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)[C@@H]1c1ccc(F)cc1 587339804 FPMRGUSPVARUOE-XNMGPUDCSA-N 472.472 5.975 5 1 JKBF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1COc1ccc([N+](=O)[O-])cc1 587579109 YQGKQPKSWPJKAJ-LEAFIULHSA-N 499.475 5.591 5 1 JKBF Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)[nH]c2c1c(Br)cc1n[nH]cc12 587621505 WFXDJPGPKYWFCT-UHFFFAOYSA-N 466.089 5.158 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1 587860357 RUWZBPOHFZKENL-UHFFFAOYSA-N 486.315 5.097 5 1 JKBF O=C1CCC[C@]2(c3ccc(F)cc3C[C@H]3CCCN32)[C@@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 963098465 GZMISUPMNMDFTJ-UWSIMGETSA-N 490.453 5.221 5 1 JKBF COc1ccc2c(c[n+]3c4c2cc(Cc2ccccc2C)c2c5c(cc(c24)CC3)OCO5)c1OC 1857538780 XKYGEYBNWPXHIM-UHFFFAOYSA-N 464.541 5.635 5 1 JKBF COc1c(O)c(CC=C(C)C)c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 14763945 CYZRCBIQIBAFCQ-UHFFFAOYSA-N 478.585 6.598 5 1 JKBF biogenic Oc1ccc2c(c1)sc1cc3ccc(O)cc3c(-c3ccc([C@@H](O)CCN4CCCCC4)cc3)c12 28359902 VGFUTXNYAMRULN-SANMLTNESA-N 483.633 7.195 5 1 JKBF O=[N+]([O-])c1cccnc1Sc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl 33875186 QKOJFLGMDDOMLK-UHFFFAOYSA-N 456.332 5.249 5 1 JKBF COc1ccc2cc(CCC(=O)C[C@@H](Nc3cc(C)on3)c3cccc([N+](=O)[O-])c3)ccc2c1 73296148 ICNXNTIYFYSILO-RUZDIDTESA-N 459.502 5.798 5 1 JKBF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 82134910 SQJPWXBZDROZOC-GAJHUEQPSA-N 493.995 5.668 5 1 JKBF Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCc3ccc([N+](=O)[O-])cc3)[nH]c3ccc(Cl)cc23)c1 169337497 FMKZRDGPSABVAT-UHFFFAOYSA-N 497.960 5.109 5 1 JKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc12 586948970 NXINXNOIKJVYIO-UHFFFAOYSA-N 486.509 5.731 5 1 JKBF O=C(Nc1sc2c(c1-c1nc3c4ccccc4c4ccccc4c3[nH]1)CCC2)c1ccccc1Cl 587030347 DIVSBJSRBYEQOY-UHFFFAOYSA-N 494.019 7.992 5 1 JKBF O=C(O)CC[C@@]1(c2ccc3ccc4cccc5ccc2c3c45)CC(=O)c2ccc3c(c2O1)CCCC3 587530003 SVQSDZHTWJBKRD-YTTGMZPUSA-N 474.556 7.188 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 587712124 NYYKITVYHPAEEL-XTZNXHDOSA-N 461.253 5.507 5 1 JKBF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 963180416 LRJNVKVEMNYOSG-KNQAVFIVSA-N 494.828 5.297 5 1 JKBF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(C)c1cc(Cl)cc([N+](=O)[O-])c1 963856246 VJUYWLNLPAABBG-KOSHJBKYSA-N 474.941 5.457 5 1 JKBF Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@@H]2NCCC[C@@H]2C)c1 29473389 OZZBVNMMCKQURU-JXFKEZNVSA-N 469.969 5.943 5 1 JKBF COc1c(OCCCN(C)C)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 53297558 JRIKCXKIUIWTTM-UHFFFAOYSA-N 495.616 5.714 5 1 JKBF Cc1nc2ccccc2c2nc(Oc3cccc4ccccc34)n(-c3ccc(Cl)cc3)c(=O)c12 82152892 HCDAVSFOBRTUNH-UHFFFAOYSA-N 463.924 6.841 5 1 JKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587057504 XYGSKVUWVCXKGI-QFIPXVFZSA-N 476.920 5.483 5 1 JKBF O=[N+]([O-])c1cnc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1 587110802 CELZSPWIEQOFSD-UHFFFAOYSA-N 452.314 6.238 5 1 JKBF COc1cccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)nc3c2oc2ccccc23)c1 587366586 WMIURNNIQGGDPE-UHFFFAOYSA-N 475.547 9.221 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3cccc([N+](=O)[O-])c3)c1)CC2=O 587472307 GAPFCTKBSWYXTJ-VWLOTQADSA-N 463.486 5.547 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccc(C)cc3[N+](=O)[O-])c1)CC2=O 587472310 GAQSAKIJWPYSQS-AREMUKBSSA-N 477.513 5.855 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 587542935 KCSAAZVZCHVJTL-XUZZJYLKSA-N 463.829 5.917 5 1 JKBF C[C@]1(COc2ccc3c(c2)oc(=O)c2ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610592 PWCPJZDLSPJFMB-ABYGYWHVSA-N 480.472 5.451 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccco2)(c2cccc([N+](=O)[O-])c2)N1 587745235 GXEZJULLSOGPEQ-ANBQIJMDSA-N 457.299 5.581 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)N1 587747209 NCWVKMYPVUFAMD-DMZKTXOQSA-N 481.325 5.435 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc12 587748619 AOGKWHUAKVMLFT-NSHDSACASA-N 484.281 5.211 5 1 JKBF O=C(O)c1cc(NCc2ccc(Sc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)ccc1Cl 1911580334 DTKVIFMIVHKINM-UHFFFAOYSA-N 483.760 7.017 5 1 JKBF O=[N+]([O-])c1ccc(CN(Cc2ccc(O)c3ncccc23)Cc2ccc(O)c3ncccc23)cc1 40916433 QUUAYKCXQOVFME-UHFFFAOYSA-N 466.497 5.305 5 1 JKBF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 82134435 JLMZLFQUULKNKR-OPAMFIHVSA-N 479.968 5.626 5 1 JKBF CC[C@H](C)Nc1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 82159916 KKNKGPSHNLIYOD-AWEZNQCLSA-N 473.455 5.211 5 1 JKBF Cc1c(Br)cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1C 587055857 QRSSLOQZEYYFMY-QGZVFWFLSA-N 479.762 5.631 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 587753767 WRAKAHISCABUAG-FATZIPQQSA-N 471.326 6.086 5 1 JKBF Cc1c(C(=O)Nc2cccc([C@@]3(C)N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c2)cccc1[N+](=O)[O-] 962769564 SEJWVSXOAILCCR-SQJMNOBHSA-N 497.473 5.065 5 1 JKBF COc1ccc2c(c1)[C@@H](c1ccc(N(C)c3ccccc3)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)CC2 963303306 ORIANOVMCGSMSZ-SSEXGKCCSA-N 497.570 6.658 5 1 JKBF O=C(O)c1ccc(Cl)cc1NCc1ccc(Sc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 1911580381 GXOLKDKCZWHIKQ-UHFFFAOYSA-N 483.760 7.017 5 1 JKBF COc1ccc(CN2C(=O)c3cc(OC)cc4c3c2cc2cc(OC)c(OC)c(OC)c24)cc1 27105471 DLOMVFWEULJIQU-UHFFFAOYSA-N 459.498 5.196 5 1 JKBF CC1(C)CC2=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(O)c3[C@@H](c3cccs3)C2=C(O)C1 103948796 YONFVLWGRGFTDV-IBGZPJMESA-N 494.598 6.294 5 1 JKBF O=C1c2ccccc2-c2cc(CSc3nc4ccc([N+](=O)[O-])cc4s3)nc3ccc(O)c1c23 586994105 UOBDAZYNFDBIAC-UHFFFAOYSA-N 471.519 5.962 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc4nc5ccccc5nc4cc3[nH]1)N2 587030891 JKDVIPVAFZQHPL-NLLJVSSUSA-N 472.599 5.786 5 1 JKBF O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3cccc4cc5ccccc5c2c34)[C@@H]1c1ccc(F)cc1 587350749 HZLGXDILRYJJNU-VIZCGCQYSA-N 460.460 6.288 5 1 JKBF CC[C@]1(CSc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587369584 LLMDPCZWEJNUNE-ISKFKSNPSA-N 453.491 5.740 5 1 JKBF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)CC2=O 587459857 IRWDEBWJDPSNRT-RUZDIDTESA-N 481.888 5.514 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](COc2ccc([N+](=O)[O-])cc2Cl)(C(C)(C)C)N1 587698296 UVEJOSFTLAYXAE-LAJNKCICSA-N 485.781 6.004 5 1 JKBF CCOc1cc2nc(-c3ccc(NC(=O)/C=C/c4ccc(F)cc4)cc3)n(O)c2cc1[N+](=O)[O-] 45245207 JZWCVRYGGVESNQ-LFYBBSHMSA-N 462.437 5.039 5 1 JKBF O[C@H](Cc1ccc2ccccc2n1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169338513 MIBNIWWYULZKSP-RUZDIDTESA-N 485.427 7.855 5 1 JKBF Cc1ccc(-n2cnnc2SCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1Cl 586967084 WBCLOOKBNWDTMU-UHFFFAOYSA-N 479.747 5.068 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)C)c(-c3cccnc3)c2c1 587620785 GYTFJCLZBRPQAT-UHFFFAOYSA-N 466.519 5.071 5 1 JKBF CCC[C@H](C)N1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 1772588205 WVFXWULPBNOGRJ-SFHVURJKSA-N 458.990 5.935 5 1 JKBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCCOc2ccccc2)cc1 2480600 WXIZMUHPHSDKIL-UHFFFAOYSA-N 493.903 5.388 5 1 JKBF Cc1cc(NCCN2CCCC2)c2ccc3c(ccc4c(NCCN5CCCC5)cc(C)nc43)c2n1 71319005 YMIAROHKGIFAFT-UHFFFAOYSA-N 482.676 5.568 5 1 JKBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148683 MJGVLKPDPNFAOC-OALUTQOASA-N 491.567 5.496 5 1 JKBF CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 82193366 KMANGDRGQOCHHN-LPHOPBHVSA-N 464.657 5.585 5 1 JKBF O=C(c1c2nc3ccccc3c-2[nH]c2ccccc12)c1c2nc3ccccc3c-2[nH]c2ccccc12 102221708 CFOKJTXVENXWDE-UHFFFAOYSA-N 462.512 7.186 5 1 JKBF CCCC(CCC)NC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169337930 SZAGKXFDHPFQKQ-HSZRJFAPSA-N 471.485 7.622 5 1 JKBF Cc1ccc(-n2cnnc2SCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1Cl 586967156 XUXIKFNSBJTUHX-UHFFFAOYSA-N 479.747 5.068 5 1 JKBF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)c21 587030689 JDWFYAUWTAIURE-NSHDSACASA-N 457.353 6.193 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Oc3ccc(C)cc3[N+](=O)[O-])n(C)c3ccccc13)O2 587390909 SJGRILFUSHNDRY-HSZRJFAPSA-N 457.486 5.784 5 1 JKBF O=C1C[C@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587510871 YAHHPJCPZMQFGJ-VWLOTQADSA-N 451.881 6.175 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 587577578 SXFBMUAFFWJRIP-BVAGGSTKSA-N 456.454 5.439 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N1 587692573 BIFWLNJWKGBFBX-YTEVENLXSA-N 491.744 6.566 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 587752682 SXLGZYUMRZLLSQ-PSLXWICFSA-N 471.326 5.699 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(ccc4ccccc43)oc2=O)N1 587839584 FWWZGJXOIDDGMD-OZAJXLCCSA-N 452.323 5.646 5 1 JKBF CN(C)C(=O)c1ccc2c(c1)[C@]1(NCC2)c2ccccc2CC[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1 962925451 NACHTODIJURJCO-AMGIVPHBSA-N 475.976 5.069 5 1 JKBF O=[N+]([O-])c1ccc([C@H]2N=C(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)S2)cc1 98082622 OZZHYVFHFWUAFW-IRLDBZIGSA-N 450.470 5.826 5 1 JKBF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 586938022 UAZONSGNFDDNKC-JOCHJYFZSA-N 461.612 5.642 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587069547 JMBKXWHUCPNQIO-ATVHPVEESA-N 482.765 7.060 5 1 JKBF CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587217560 DKVXIVIBFSRGHM-INIZCTEOSA-N 488.928 5.214 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 587575624 JUBNNEPHRNSHLQ-OZXSUGGESA-N 455.422 5.796 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 587746702 KHAUZFIGLKOKNR-OWJWWREXSA-N 485.353 5.873 5 1 JKBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F 587943513 GEBZYXNLEUEGPQ-HNNXBMFYSA-N 474.460 5.248 5 1 JKBF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)N=C14 40393191 IYOGDZSHQRMOKM-STWQJQAKSA-N 493.648 6.363 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3cccc(I)c3)[nH]c12 587183702 HCERQTHEQDOFMD-QPJJXVBHSA-N 470.064 5.009 5 1 JKBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587268751 CYGNHXRGVVQKTI-UHFFFAOYSA-N 484.390 5.134 5 1 JKBF Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336384 TYIKSCQIKUXRQJ-VPUSJEBWSA-N 488.446 5.464 5 1 JKBF O=C(O)c1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)c1 587576260 NTRHNGVROKJINI-BVAGGSTKSA-N 483.432 5.369 5 1 JKBF CCCCN(CCCC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 587664202 YRKTZRJUYMECEW-UHFFFAOYSA-N 487.560 5.468 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 587842410 FOMIOYKFJVDJHH-FATZIPQQSA-N 487.394 6.412 5 1 JKBF CCN(CC)CCOc1ccc([C@H](c2ccc(OC)cc2)c2cc3ccccc3c3ccccc23)cc1 28709332 DMKDOSAELHYGRG-UMSFTDKQSA-N 489.659 7.902 5 1 JKBF Cc1ccc(C(O)(c2ccc(C)cc2)C23CC[N+](CCOCc4ccccc4)(CC2)CC3)cc1 38276251 IPAYMSGKIDRVRE-UHFFFAOYSA-N 456.650 5.757 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2nc3ccccc3s2)cc1 82174080 LNIJAPKZVSOVEV-UHFFFAOYSA-N 471.517 6.122 5 1 JKBF COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O 136174275 LTYWXDKNOZKXJR-UXMQVZHISA-N 478.673 6.878 5 1 JKBF Cc1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980026 NEVXQDRBTLSLBG-UHFFFAOYSA-N 451.149 5.258 5 1 JKBF COc1cc(C[C@]2(Cc3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O 587511583 QNCPHGHSVRCFRX-GDLZYMKVSA-N 487.552 5.686 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c([N+](=O)[O-])c2)N1 587680110 SIYICMMEGRWXDG-XLFHBGCDSA-N 458.125 5.057 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 587731179 KREILHLNEIWINF-IPQOISQHSA-N 491.357 6.410 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 587751725 OGOWBBUHRWWEOS-VERVWZFWSA-N 455.283 5.428 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)N1 587847250 SWQAKVGEANMYEJ-XUSGNXJCSA-N 477.355 6.005 5 1 JKBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccc(Cl)c(Cl)c2)c1O 587943157 OAAHAPYCOPAXBL-UHFFFAOYSA-N 476.085 5.981 5 1 JKBF O=c1cc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2ccc3ccccc3c2o1 1857577979 NAZFVCNKZLOPIH-UHFFFAOYSA-N 482.530 6.136 5 1 JKBF C[C@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370854 CKXVPWNFFRXCHK-XUZZJYLKSA-N 496.541 5.959 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(Cl)cc3)c2c1 587618466 RDNBAEJOHVYLMZ-UHFFFAOYSA-N 471.922 5.514 5 1 JKBF C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1nnc2n1N=C(c1ccc([N+](=O)[O-])cc1)CS2 653687984 FXMVIIWLYDEFQV-HNNXBMFYSA-N 459.506 5.502 5 1 JKBF COc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 776340 WCWDSHFDIKIZRQ-UHFFFAOYSA-N 487.940 5.190 5 1 JKBF CCC[N+](CCC)(CCC)CCCCCCCCCCCC[N+](CCC)(CCC)CCC 13679886 UZFBFLPJRXOBSC-UHFFFAOYSA-N 454.872 8.981 5 1 JKBF CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174723 FOTXLJQDQZDDRF-HNNXBMFYSA-N 461.547 6.061 5 1 JKBF O=C(/C=C/c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1c2ccccc2cc2ccccc12 207503574 BGIIOPRQYNDLQF-DQDDEOKTSA-N 487.002 8.038 5 1 JKBF O=c1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)n1CCOc1ccccc1Cl 587064095 MGBMNIADIQRSCJ-UHFFFAOYSA-N 465.940 6.430 5 1 JKBF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc([N+](=O)[O-])cc1 587511173 FECGRFRCRCCRCG-SANMLTNESA-N 459.498 5.768 5 1 JKBF O=[N+]([O-])c1cccc([C@H]2C3=C(N=C4SC=C(c5ccc(Cl)cc5)N42)c2ccccc2SC3)c1 653887804 GUNKLUNEWRKVLO-DEOSSOPVSA-N 490.009 7.223 5 1 JKBF CCN1CCC[C@H](NCc2c3ccccc3c(CN[C@@H]3CCCN(CC)C3)c3ccccc23)C1 22863809 MNKRQQBDUQTENM-PSWAGMNNSA-N 458.694 5.141 5 1 JKBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(CCc2ccccc2)CN1C3 72111393 KVYAPFBLDFQUAG-NRFANRHFSA-N 468.597 5.261 5 1 JKBF CCc1cnc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2cccc([N+](=O)[O-])c2)s1 82163627 JVHWMZSRQFCSBD-UHFFFAOYSA-N 461.503 5.079 5 1 JKBF CC(C)(C)c1cccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 587039589 ZFTRGROCABCWFG-UHFFFAOYSA-N 460.584 7.197 5 1 JKBF O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341555 JUYYHMNJWFUFPP-LEAFIULHSA-N 497.434 5.421 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 587547796 UPTNSXFIRBVQSX-URXFXBBRSA-N 462.845 5.447 5 1 JKBF O=C(Nn1c(-c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O)c1sc2ccccc2c1Cl 1857751052 LVYLZHZTMJYJHP-UHFFFAOYSA-N 476.901 5.224 5 1 JKBF O=[N+]([O-])c1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6)c5c4)cc32)cc1 200477264 FSTFYVKCKRXTNY-UHFFFAOYSA-N 457.533 7.268 5 3 JKBF C[C@@H]1C[C@@]2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)C(=O)O1 73137786 DPNPWGOZTQVNEE-ACSYHNTCSA-N 456.586 5.015 5 1 JKBF Cc1cc2oc(=O)cc(-c3cccc([N+](=O)[O-])c3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1 96940131 XWADCLUSCORFLM-UHFFFAOYSA-N 470.525 5.484 5 1 JKBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N([C@@H]2CCCC[C@H]2C2CCCCC2)C1 253951557 WDHRTPQZLVZIPX-YHHKDRGWSA-N 496.695 6.939 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988707 WUQBRCZCQPRYQU-UHFFFAOYSA-N 456.457 5.782 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)N2 587030156 AACSUOJWLRYCBS-TZZQWBKVSA-N 494.396 5.361 5 1 JKBF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587053078 AVDJZTXUBMLYIY-NSHDSACASA-N 462.264 6.849 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O 587458425 BIQUEJWMCZZQLS-VWLOTQADSA-N 451.906 6.124 5 1 JKBF CCCc1c(O)ccc2c1O[C@](c1ccccc1F)(c1cc([N+](=O)[O-])ccc1NC)CC2=O 587466644 NAOWUWOHFAIGLO-RUZDIDTESA-N 450.466 5.343 5 1 JKBF C[C@@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611716 JKBCMEBFZHSRAV-RDGATRHJSA-N 459.479 5.906 5 1 JKBF CC(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1NC(=O)c1ccc([N+](=O)[O-])cc1 587627542 BHGSOQMAOWETHI-UHFFFAOYSA-N 459.346 6.489 5 1 JKBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587946596 ZPGDRHNYTCYXOK-MRXNPFEDSA-N 454.498 6.033 5 1 JKBF Cc1c(C(=O)Nc2cccc([C@@]3(C)N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c2)cccc1[N+](=O)[O-] 962769562 SEJWVSXOAILCCR-PXDATVDWSA-N 497.473 5.065 5 1 JKBF Oc1ccc([C@@H](c2ccc(OCCN3CCCCC3)cc2)c2cc3ccccc3c3ccccc23)cc1 28709366 YWQVENNSVHONQN-UMSFTDKQSA-N 487.643 7.744 5 1 JKBF Cc1ccc2c3c(cc(-c4c(Cl)c(Cl)c([N+](=O)[O-])c5c4OCCO5)nc13)-c1ccccc1C2=O 586994297 XOFZYQZIYRMZMV-UHFFFAOYSA-N 493.302 6.408 5 1 JKBF Cc1c(Br)ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 587053131 BNIPVTZMQSYMNG-INIZCTEOSA-N 465.735 5.323 5 1 JKBF CC(C)(C)OC(=O)N[C@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239356 JOSFAPGRCVJGOR-KVFJWPORSA-N 473.577 5.214 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SCc2ccccc2)c([N+](=O)[O-])c1 587615582 YSOSRIFDMSBUFB-IGKIAQTJSA-N 485.517 6.296 5 1 JKBF Cc1cc(SCCn2cccc2)c2cc3c(SCCn4cccc4)cc(C)nc3c(C)c2n1 27321096 LJJIJVJXFVGRRB-UHFFFAOYSA-N 472.683 6.896 5 1 JKBF CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12 40952249 XUNMBICMEBGIRO-UHFFFAOYSA-N 477.605 6.915 5 1 JKBF Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Br)cc3)c-2c/c1=N\C(C)C 95579085 UDCSASJSCXAWSM-BGABXYSRSA-N 498.428 6.649 5 1 JKBF COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)cc1 103935250 QJURPIXPJYCNBV-RKOGDMNLSA-N 485.496 5.961 5 1 JKBF O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1 299829707 RMVSYBKSIWTOER-QHCPKHFHSA-N 494.960 6.586 5 1 JKBF Brc1cc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc2c1OCCO2 586999699 AKLAYNMDHSWTAC-AATRIKPKSA-N 459.303 5.363 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1Cl 587035906 WPJWYVOOWXTIOC-UHFFFAOYSA-N 483.918 6.461 5 1 JKBF COc1cccc(-c2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(Cl)c2)c1 587051996 ITUXZNRJTKYAGT-UHFFFAOYSA-N 458.699 6.230 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 587546386 QMOREUGLOFXDEC-QPPBQGQZSA-N 463.829 5.917 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3F)c(C)c2c1 587620309 URMIPMJHIMXFPN-UHFFFAOYSA-N 473.457 5.139 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c([N+](=O)[O-])c2)N1 587681092 WDAAEVFGRDOOPY-XYZCENFISA-N 458.125 5.057 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2[N+](=O)[O-])(c2ccccc2)N1 587746401 JUOAVLQTKXLJNE-DUGLGYKQSA-N 467.338 5.988 5 1 JKBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccccc1F 4295094 VOMOICNDLLXYNX-PKTZIBPZSA-N 475.948 5.760 5 1 JKBF COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OC(=O)c1ccc(C)cc1 96937414 GHZUNIAXDLSJDY-UHFFFAOYSA-N 464.497 5.255 5 1 JKBF CCC[P@@](=O)(Oc1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1)OC(C)C 169342893 WQSBUARVLZGAFF-YTTGMZPUSA-N 456.439 6.202 5 1 JKBF Cc1cc(C)cc(-c2c(OCC[C@H]3CCC[C@@H](C)N3)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 169728540 RYBUHQOIEPFMAP-SJLPKXTDSA-N 469.969 5.673 5 1 JKBF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(O)c1 587240592 LDLIJLRNPWLQFK-UHFFFAOYSA-N 481.306 5.096 5 1 JKBF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1COc1ccc([N+](=O)[O-])cc1 587579110 YQGKQPKSWPJKAJ-LSYYVWMOSA-N 499.475 5.591 5 1 JKBF Cc1c(Br)ccc([N+](=O)[O-])c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587672177 DOWBVDHDFORDRK-RBHXEPJQSA-N 458.125 5.191 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])C(C)(C)OC2(C)C 587747790 QCVKCGYIYPFPPO-GOSWJNGUSA-N 489.385 5.897 5 1 JKBF O=c1c(-c2cccc3ccccc23)coc2c1c(O)cc1occ(-c3cccc4ccccc34)c(=O)c12 653857490 HGNJMQJDZPPNMI-UHFFFAOYSA-N 482.491 7.245 5 1 JKBF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC(C)(C)c1ccc([N+](=O)[O-])cc1 1772601412 JUEKNZCMBOGRQL-UHFFFAOYSA-N 481.501 5.174 5 1 JKBF CC(=Cc1cc(C=C(C)OC(=O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-])OC(=O)c1ccccc1 2356818539 VNMOPYYZCZBUIK-UHFFFAOYSA-N 488.452 5.939 5 1 JKBF CC1=C[C@H](CNCc2ccncc2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2356841620 USTXJKCWEHNTSA-WMTXJRDZSA-N 461.566 5.227 5 1 JKBF CCN(CCOc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1)Cc1ccccc1 13603164 XVRSAAPBHXCNGS-UHFFFAOYSA-N 491.591 5.835 5 1 JKBF CCc1cc2c3c(cc[n+]2nc1CC)c1ccc(OCc2ccccc2)cc1n3C(=O)OC(C)(C)C 26576328 ALHXAVQRTUKICQ-UHFFFAOYSA-N 482.604 6.415 5 1 JKBF O=C1NCc2c1c1c3cc(/C=C/c4ccccn4)ccc3n3c1c1c2c2ccccc2n1C[C@H](CO)C3 28819575 BIJLGWWDWJZUPE-RQMBKDMJSA-N 484.559 5.333 5 1 JKBF C[N+](C)(C)CCO[P@@](=O)(O)OCCC12C[C@H]3C[C@H](CC(CCOCc4ccccc4)(C3)C1)C2 58583280 IBVZQPMMKNNAQS-JVOXHRMMSA-O 480.606 5.410 5 1 JKBF COC(=O)/C=C(\C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 103209025 CSOBPZKQLPTVSC-JXMROGBWSA-N 459.760 5.293 5 1 JKBF CC(=O)c1ccc(CN2CCC(Nc3cc(Oc4c(C)cc(C)cc4C)ccc3[N+](=O)[O-])CC2)cc1 103230419 AAWCODHNMMWOKR-UHFFFAOYSA-N 487.600 6.591 5 1 JKBF COc1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc([N+](=O)[O-])c1O 104034125 BGHCOHJMARRHNQ-ZAMGYDSWSA-N 463.515 6.000 5 1 JKBF CCCc1nc2cc([N+](=O)[O-])ccc2n1Cc1cccc2c1ccn2-c1ccccc1C(=O)O 169310196 AIUSSFIJFZMNEC-UHFFFAOYSA-N 454.486 5.587 5 1 JKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2ccc(Br)cc2c2cc(C(F)(F)F)ccc12 169338975 HWEWFDDMPFBCKK-KKSFZXQISA-N 452.314 6.340 5 1 JKBF CC(C)COc1cc(C(=O)Nc2ccc(C(=O)O)cc2OCc2ccccc2)ccc1[N+](=O)[O-] 299852532 UFUJAFQEOMKEPN-UHFFFAOYSA-N 464.474 5.159 5 1 JKBF CSc1sc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919769 GXXHDFGEMWDFRJ-UHFFFAOYSA-N 466.393 5.410 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1Sc1nc2ccccc2s1 587036807 ACNJZFKFNMAUJJ-UHFFFAOYSA-N 484.540 5.146 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 587700028 UFNOPQKFGDPNJY-YTEVENLXSA-N 491.744 6.566 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587959473 MGRVYARJVNKYCY-RCHUDCCISA-N 465.613 8.465 5 1 JKBF O=C(NCCCCCN=c1c2c([nH]c3ccccc13)CCCC2)c1c2ccccc2nc2ccccc12 1857553988 OJFBQFBFSCUBRR-UHFFFAOYSA-N 488.635 6.249 5 1 JKBF O=C1c2ccccc2[C@](OC2CCC(O)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 66114386 DUVWOXDCHCLFLA-IJQWPOMLSA-N 492.959 5.425 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc([N+](=O)[O-])c1 82135374 KAEJFCPSXNKWNR-UHFFFAOYSA-N 473.577 5.259 5 1 JKBF O=C(Nc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1 96167959 VJKFEQUHZXSFNG-UHFFFAOYSA-N 488.525 5.707 5 1 JKBF O[C@H](C[N+]12CCC(CC1)CC2)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 169335738 TUCGKOCVDLPHPG-CEJOBHSTSA-N 454.421 6.386 5 1 JKBF CCCCOc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br 587267025 SHENHGPMJKXRMH-NSHDSACASA-N 478.303 5.494 5 1 JKBF O=[N+]([O-])c1cc2c(NCCc3ccc(Cl)cc3)ncnc2cc1N1CCN(c2ccccc2)CC1 27631189 NSSDGZAYAZTTEC-UHFFFAOYSA-N 488.979 5.173 5 1 JKBF CCc1cnc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174497 YTVGMPOUYKZEIO-UHFFFAOYSA-N 461.503 5.079 5 1 JKBF O=[N+]([O-])c1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3ccc(Br)cc3s2)cc1 103181842 VMHFBUSTURCXBJ-UHFFFAOYSA-N 494.334 5.163 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)ccc2c2c(Cl)cc(Cl)cc12 169337819 NHTSTPSJDSTSSP-HSZRJFAPSA-N 452.853 7.889 5 1 JKBF Cc1ccc2c3c(cc(Cc4ccc(Br)cc4[N+](=O)[O-])nc13)-c1ccccc1C2=O 586993387 LKNDPKCLSWIPBN-UHFFFAOYSA-N 459.299 6.016 5 1 JKBF Cc1cc2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2cc1[N+](=O)[O-] 587054251 JEYWVDCRUAYBKO-CYBMUJFWSA-N 458.301 7.019 5 1 JKBF CC(C)CCOc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1Br 587109825 OCFGQDCBAMZXTI-UHFFFAOYSA-N 486.288 6.268 5 1 JKBF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2F)c1 587142818 FVHSIPLCFUUKLX-UHFFFAOYSA-N 476.689 6.369 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Br)ncc(Br)c4[nH]3)cc2)cc1 587272445 SNGXMNSWKFLVPQ-UHFFFAOYSA-N 490.111 5.850 5 1 JKBF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587330512 BUDPVKXCGMKHJR-RDGATRHJSA-N 451.450 5.285 5 1 JKBF O=[N+]([O-])c1ccc2c(c1)C1(c3cc([N+](=O)[O-])ccc3-2)c2cccc(F)c2CCN1[C@H]1CCSC1 962714888 RRXYWPFGQHRIAB-KRWDZBQOSA-N 477.517 5.278 5 1 JKBF COC(=O)c1cc2ccccc2n1CCCCCCCCCOC(=O)Cc1ccc([N+](C)(C)C)cc1 13524944 FHUCGKFONXXALC-UHFFFAOYSA-N 493.668 6.141 5 1 JKBF CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 28339526 FPOGXYDWGZGUBR-UHFFFAOYSA-N 485.628 5.672 5 1 JKBF CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C/2COc1ccc([N+](=O)[O-])cc1 169354849 LQCVAVYPEQSXJN-NHFJDJAPSA-N 490.603 7.488 5 1 JKBF CC(C)COc1cc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OC2Cc3ccccc3C2)c1 299852415 RNRHZOZLQOPAMT-UHFFFAOYSA-N 490.512 5.126 5 1 JKBF CCCCCOc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br 587048301 RZMORGVEFFDBAE-SOFGYWHQSA-N 464.747 6.626 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587418934 CCNWKDUOJQYNOK-FYSMJZIKSA-N 486.307 5.978 5 1 JKBF O=[N+]([O-])c1ccc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c(Cl)c1Cl 962633404 LUGGMQWERJJVSF-KOSHJBKYSA-N 454.357 5.738 5 1 JKBF CC(C)=CCc1c(O)c2c(c3c(=O)c4c(O)c5c(cc4oc13)OC(C)(C)C=C5)C=CC(C)(C)O2 14768737 NKTLGMPGRFCLNF-UHFFFAOYSA-N 460.526 6.235 5 1 JKBF endogenous,in-man O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(Cl)ccc12 169337851 MBWJNYQIIJECKU-YWZLYKJASA-N 475.860 7.250 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(C(=O)c3cccc4cc5ccccc5c2c34)[C@@H]1c1ccc(F)cc1 587350742 HZLGXDILRYJJNU-PDDLMNHVSA-N 460.460 6.288 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccco2)(c2cccc([N+](=O)[O-])c2)N1 587745238 GXEZJULLSOGPEQ-UFYZZQQTSA-N 457.299 5.581 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 587751476 MWVYLNFXLUDURT-MCMMXHMISA-N 457.299 5.912 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](c1ccc(C)cc1)CC(=O)N3 1857642206 HNHWONYYMZUOGL-KRWDZBQOSA-N 457.526 5.810 5 1 JKBF O=C(O)c1cccc(NC(=O)c2ccc(Sc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)c1 1911575179 GTWGSBRNUWWYRK-UHFFFAOYSA-N 463.298 6.003 5 1 JKBF OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccc(Cl)cc3)(CC1)CC2 42889971 ZDZMLQNMFIXHBN-UHFFFAOYSA-N 463.041 5.793 5 1 JKBF O=[N+]([O-])c1ccc(C2=NN(S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CCCC2)cc1 45334534 GETYHTQNYLKPPN-UHFFFAOYSA-N 462.742 5.134 5 1 JKBF O=C(NCCc1cccc(F)c1)c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82149484 KIWRYPJXKHGFDY-UHFFFAOYSA-N 477.540 5.156 5 1 JKBF CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163681 SXZAIWPHBOTAOC-ROUUACIJSA-N 463.582 6.230 5 1 JKBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(Br)c(Br)cc3[nH]2)ccc1Cl 587047130 CEQPRLZRHDSSPF-RQOWECAXSA-N 457.509 5.820 5 1 JKBF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(F)(F)F 587711438 KFGSTEWRHQNADZ-DYBLOJMWSA-N 493.251 5.070 5 1 JKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 587860513 VTHARMRYZHAMJG-UHFFFAOYSA-N 450.278 5.191 5 1 JKBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1 587868837 URALRMJGZVOIMA-UHFFFAOYSA-N 498.417 5.148 5 1 JKBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cc(Cl)ccc2Cl)cc1NC1CCCCCCC1 15936234 PFJRHIZIARIADS-UHFFFAOYSA-N 454.310 7.127 5 3 JKBF Cc1cc(C)cc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc([N+](=O)[O-])cc2)c1 100706030 QOSPEKZCLJFSGU-UHFFFAOYSA-N 499.552 5.487 5 1 JKBF O[C@H](C[C@@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2ccc(Cl)cc12 169337840 XWUOPMDUJBLJRP-MGPUTAFESA-N 475.860 7.250 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)N2 587030153 AACSUOJWLRYCBS-DAVUEJTQSA-N 494.396 5.361 5 1 JKBF COC(=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2n1 587036933 BNYWXMZLLSCUPJ-UHFFFAOYSA-N 463.500 5.081 5 1 JKBF CCOc1cc(/C=C\c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1OC(F)F 587130443 MITBHWULRNHTKA-XQRVVYSFSA-N 454.227 5.404 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)cc2)cc1 587272957 YCMTUQBEHZUEQI-UHFFFAOYSA-N 478.224 6.712 5 1 JKBF CCCc1c(O)ccc2c1O[C@](c1ccc(C(=O)OCC)cc1)(c1ccc([N+](=O)[O-])cc1)CC2=O 587473520 WUKMHIMJJVMQIA-HHHXNRCGSA-N 475.497 5.339 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])N1 587749158 XOZATMZFDXWYCW-YTEVENLXSA-N 485.309 5.485 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 587751726 OGOWBBUHRWWEOS-YTEVENLXSA-N 455.283 5.428 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)N1 587841939 CQSPGWHZUPWSGZ-GTJPDFRWSA-N 477.355 6.005 5 1 JKBF O=[N+]([O-])c1ccc2c(c1)C1=NN(c3ccccc3)[C@@H](c3ccccc3Br)[C@@H]1CCC2 6041297 XJCLRQALYIQTDK-YKSBVNFPSA-N 462.347 6.275 5 1 JKBF COc1cc([C@H](CC(=O)c2ccc(C)cc2)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 49816722 CRLRDHCTZNQLSN-NRFANRHFSA-N 450.491 5.355 5 1 JKBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136054 AXAZQQPEKYILQR-NHCUHLMSSA-N 487.604 5.585 5 1 JKBF CCCCCc1nc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174899 QWUAIGIDSJSYJJ-UHFFFAOYSA-N 485.588 6.711 5 1 JKBF COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4ccc(C(F)(F)F)cc4)c3oc2c1OC 96933371 XPLBXLGRFXGNQJ-UHFFFAOYSA-N 460.404 5.666 5 1 JKBF CC[C@H](C)NC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 105176611 UOHCGRZDILBMAC-BRYJNJBFSA-N 451.571 5.063 5 1 JKBF O[C@@H](Cc1ccc2ccccc2n1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169338511 MIBNIWWYULZKSP-VWLOTQADSA-N 485.427 7.855 5 1 JKBF CCOc1cc(/C=C/c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(Br)c1OC 586978459 SPXBUIXHUMDUCN-SNAWJCMRSA-N 497.143 5.574 5 1 JKBF CNc1c(F)cccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587135613 JZFRLDKDMMXHKH-UHFFFAOYSA-N 495.466 5.693 5 1 JKBF CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587141736 BACWNSJATCHMMT-BUXKBTBVSA-N 494.882 5.532 5 1 JKBF Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587504979 KAOHXICLSGHHEY-HHHXNRCGSA-N 461.945 6.653 5 1 JKBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1ccc([N+](=O)[O-])cc1 587576954 QGQVDIADXATPIT-SHQCIBLASA-N 485.448 5.804 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587959597 MGRVYARJVNKYCY-UUQHCRCUSA-N 465.613 8.465 5 1 JKBF CCc1cccc(NC(=O)Nc2ccc(N=c3c4ccccc4[nH]c4cc([N+](=O)[O-])ccc34)cc2)c1 653771425 YCPUCUWEWZRASW-UHFFFAOYSA-N 477.524 6.668 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc([C@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)cc2)c([N+](=O)[O-])c1 962703695 NNIQCOXPHWEAOO-BVZFJXPGSA-N 495.532 5.887 5 1 JKBF O=[N+]([O-])c1ccc(C[C@]2(c3ccc4ccccc4c3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963096767 GLMFGFNCOHJVER-YTMVLYRLSA-N 452.529 6.394 5 1 JKBF CC(C)CNC(=O)c1c(-c2ccc(COC(=O)c3ccccc3[N+](=O)[O-])cc2)oc2ccccc12 1772581724 JCLGOVWKVNDRNP-UHFFFAOYSA-N 472.497 5.751 5 1 JKBF C[N+](C)(C)c1cccc(C(=O)OCCCCn2ccc3cc(OCc4ccccc4)ccc32)c1 27088353 ZSADCBKQIAVGOX-UHFFFAOYSA-N 457.594 6.054 5 1 JKBF COC(=O)Cc1csc(-c2nc3cc4ccccc4cc3nc2-c2cc(CC(=O)OC)cs2)c1 28476302 YTXYGLKAPGAMHB-UHFFFAOYSA-N 488.590 5.671 5 1 JKBF COc1ccc([N+](=O)[O-])cc1CSc1nc2cc(NC(=O)NC(C)(C)C)ccc2n1C(C)C 28523454 ZGFMULDJDHJZIP-UHFFFAOYSA-N 471.583 5.746 5 1 JKBF Nc1cc2c3ccccc3c(=O)c3ccc4c5ccc6c(=O)c7ccccc7c7ccc(c1c4c32)c5c67 38652795 QTISTTPDRYSKGV-UHFFFAOYSA-N 471.515 7.528 5 1 JKBF CCCCNC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 82134309 WSTKWXURPGYHFL-UHFFFAOYSA-N 473.455 5.213 5 1 JKBF CC(C)CN(C)c1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2cccc([N+](=O)[O-])c2)n1 82135914 PYYADIJVLZQLPV-UHFFFAOYSA-N 487.482 5.093 5 1 JKBF CCc1cnc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2cccc([N+](=O)[O-])c2)s1 82163727 UPULAWXHNKLYNA-UHFFFAOYSA-N 491.573 5.410 5 1 JKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586968414 DEQRHDSYZXMPHI-UHFFFAOYSA-N 474.302 6.668 5 1 JKBF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587238044 AHRAZZJGHZUVOI-YPTVITADSA-N 473.577 5.214 5 1 JKBF O=C1C[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)Oc2c1ccc1c2CCCC1 587506560 YWTNQWZWNGKZSU-JOCHJYFZSA-N 468.303 6.203 5 1 JKBF COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1[N+](=O)[O-] 587745916 ILSWTAFCSWJJPN-NPMABZOXSA-N 499.336 5.574 5 1 JKBF COc1cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)ccc1OCC(=O)c1ccc([N+](=O)[O-])cc1 963106306 KCPGUOTXLFTXTC-XMMPIXPASA-N 487.339 5.407 5 1 JKBF CCOc1ccc([C@@]2(C)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 963840592 BFHSAOHTEBHTCP-BCHFMIIMSA-N 484.549 5.202 5 1 JKBF CCOP(=O)(OCC)[C@@H](NCCC[N+](C)(C)CC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1857569564 JQSPLORAGYLIIJ-XMMPIXPASA-O 485.670 6.328 5 1 JKBF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 774737 ZOYZWWSUOHDMBS-PXAZEXFGSA-N 478.332 5.360 5 1 JKBF COc1cc2oc3c(C)c(=O)cc4oc(-c5ccccc5)cc(c2c2c1CC[C@H](c1ccccc1)O2)c43 15147734 FWKBXSPDFCAHFN-XMMPIXPASA-N 488.539 7.743 5 1 JKBF biogenic Cc1cc(OCCCCCCCCCC[N+](C)(C)Cc2ccc([N+](=O)[O-])o2)c(C(C)C)cc1Cl 59719588 WUHWMNIRWITBFH-UHFFFAOYSA-N 494.096 8.049 5 1 JKBF CC[C@@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 82135607 ZYLGAFCQJATJJD-XJLXEZPNSA-N 451.571 5.063 5 1 JKBF COP(=O)(OC)[C@@H](OC(=O)COc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 103205068 YTDRYJUOPMPXAZ-QGZVFWFLSA-N 464.194 5.008 5 1 JKBF CCOC(=O)/C=C/COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 103218164 POOBUTPAWIUQLD-ONEGZZNKSA-N 473.787 5.335 5 1 JKBF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@+](C)(CCc4ccccc4)[C@@H]2N3C)cc1 253806905 QAOKOBSRMLDYEY-ZYPSJOPPSA-O 484.664 6.548 5 1 JKBF CC(C)(C)OC(=O)N[C@]1(c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239141 IKLCFXHTXQMPTO-OYYXRSNLSA-N 471.601 6.424 5 1 JKBF CCCc1c(O)ccc2c1O[C@](COc1ccc(C=O)cc1OC)(c1ccc([N+](=O)[O-])cc1)CC2=O 587472967 PECHRQGFPIDLQD-HHHXNRCGSA-N 491.496 5.014 5 1 JKBF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1COc1cccc([N+](=O)[O-])c1 587579114 YSNXDAWHAQJBMC-LSYYVWMOSA-N 499.475 5.591 5 1 JKBF Cc1c(Br)ccc([N+](=O)[O-])c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587672175 DOWBVDHDFORDRK-CQLKUDPESA-N 458.125 5.191 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3ccc4cccc5ccc2c3c45)N1 587813118 ASPRMOLRNZVQNL-RXAIFQJESA-N 458.374 7.283 5 1 JKBF Cn1c2nc3ccccc3c-2c(NCCCCN=c2c3c([nH]c4ccccc24)CCCC3)c2ccccc21 1857766311 VMTDFPOABMLNGK-UHFFFAOYSA-N 499.662 6.984 5 1 JKBF CC[C@H]1OCCC[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586912704 OTBASCFBUPILKP-WZONZLPQSA-N 484.508 5.518 5 1 JKBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 587942135 VMHBORPCUNTVML-SSDOTTSWSA-N 476.571 6.879 5 1 JKBF CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](Oc1cc2ccccc2c2ccccc12)c1ccnc2ccc(O)cc12 13783107 OVOHVXCZSNSNOD-RBXORJKSSA-N 488.631 7.487 5 1 JKBF COc1ccc(-n2c(C)nc3c(-c4ccc(Br)cc4)nc4ccccc4c3c2=O)cc1 28646077 MUOUJTGOARFKMQ-UHFFFAOYSA-N 472.342 5.680 5 1 JKBF CCCCCc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163771 NGUNOMRDMCPSFF-UHFFFAOYSA-N 489.551 6.542 5 1 JKBF CCCCn1cc(C(=O)O)c(=O)c2c3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3ccc21 169308519 SQVFNSYKGPXJLH-UHFFFAOYSA-N 485.490 6.055 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586948853 PIYUWWLLTZKHMP-UHFFFAOYSA-N 494.426 5.405 5 1 JKBF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587108424 MJNIAVASGYKJAR-NRFANRHFSA-N 497.502 5.204 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)N1 587752864 UBCUFPKVKDYGMM-WHEQGISXSA-N 457.299 5.912 5 1 JKBF CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c(OCCCCCCCCCCCC[N+](C)(C)C)ccc(c23)C1 14947234 VTSGPEONETVLBC-ZBQRRTSWSA-N 499.760 5.828 5 1 JKBF COc1ccc(-c2[nH]c3ccccc3c2CCNC(=O)CCCc2ccc([N+](=O)[O-])cc2)cc1OC 27557734 GHYBSJPOWMVVDX-UHFFFAOYSA-N 487.556 5.442 5 1 JKBF CCc1c(Cc2c(Cl)cccc2Cl)nc(SC/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O 28862948 LLBQTUMSGVWBPN-SNAWJCMRSA-N 476.385 5.944 5 1 JKBF CCCCc1nc2cc([N+](=O)[O-])ccc2n1Cc1ccc2c(ccn2-c2ccccc2C(=O)O)c1 169310200 GZKSWGAGHQQNOS-UHFFFAOYSA-N 468.513 5.978 5 1 JKBF Cc1onc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079056 FRFNUQQDWPBTPH-UHFFFAOYSA-N 458.865 5.639 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSc2nc3ccc([N+](=O)[O-])cc3s2)N1 587857623 LWXQNIRYAPHCDL-DGIBIBHMSA-N 482.400 5.648 5 1 JKBF C[C@@]1(c2ccc(Oc3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)NCCc2c(Cl)cc(Cl)cc21 963120524 JGMMMXAIMLYVKM-QFIPXVFZSA-N 498.193 7.410 5 1 JKBF COc1cc2oc(=O)ccc2cc1[C@H](C=C(C)C)c1c(O)cc2c(c1O)c(=O)c1cccc(O)c1n2C 13307615 BKMYROCJHYRJQO-SFHVURJKSA-N 499.519 5.022 5 1 JKBF biogenic Fc1nc(Sc2ncnc3nc[nH]c23)nc(-c2c3ccccc3c3sc4ccccc4n23)n1 17222405 QONWIXBYJFPZDE-UHFFFAOYSA-N 470.518 5.116 5 1 JKBF CC(C)(C)c1cc(I)c2c(c1)C[N+](C)(C)C1(CCC(C(C)(C)C)CC1)O2 39318373 SYKOBEQSDNUDRW-UHFFFAOYSA-N 470.459 6.490 5 1 JKBF Cc1oc(-c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163768 YRROWSDADCJXID-UHFFFAOYSA-N 495.514 6.476 5 1 JKBF Cc1cc(C)c(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc3cnccc32)c(C)c1 84731918 RPNROEMOTSSEIP-UHFFFAOYSA-N 481.965 5.638 5 1 JKBF CCN(CC)CCC[C@H](C)Nc1c2c3ccccc3nc-2n(C)c2ccc(Br)cc12 103001688 OCDWAWMYFMXDSR-KRWDZBQOSA-N 467.455 6.516 5 1 JKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(Br)cnc(Br)c2[nH]1 587109018 GDDGWDUDOGBNJP-UHFFFAOYSA-N 480.038 5.001 5 1 JKBF COc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(Cl)c(C)c1[N+](=O)[O-] 587328462 UPROCXWJXYKVSU-YKSBVNFPSA-N 471.868 5.684 5 1 JKBF COc1c(CC=C(C)C)c(O)c2c(=O)c3cc(O)ccc3oc2c1CC=C(C)CCC=C(C)C 2356684102 JPADBONROBGKKV-UHFFFAOYSA-N 462.586 7.110 5 1 JKBF O=C(/C=C/C=C(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1)NCCCCc1cccnc1 29484820 UATKSJLOJPVPRW-LHHJGKSTSA-N 472.501 5.025 5 1 JKBF COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(F)cc3)c-2c/c1=N\C(C)C 72316845 GBVYFZVFPAGNNG-JJKYIXSRSA-N 453.521 5.726 5 1 JKBF CC1(C)C[C@@]2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)C(=O)O1 73137801 WVVPDZUTUIUEIL-SSEXGKCCSA-N 470.613 5.405 5 1 JKBF COc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)cc2-c2cc(C)nn2-c2ccccc2)cc1 98082160 FVTMOTNOENOKAZ-UHFFFAOYSA-N 451.486 5.617 5 1 JKBF COc1ccc(-c2nc(SCc3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)c(OC)c1OC 103248677 DOMPDJQUZKKWFJ-UHFFFAOYSA-N 494.594 6.703 5 1 JKBF CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(O)CC(C)(C)CC2=N1 104081271 HPXWKTVNCCNXRA-QFIPXVFZSA-N 480.952 6.035 5 1 JKBF CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587197519 FZDDYXNMGPNNFR-UHFFFAOYSA-N 491.507 5.918 5 1 JKBF Cc1nc2cccc3c2c(c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)CC3 587211010 JNXWVMYAOMLSOA-UIOOFZCWSA-N 464.477 5.100 5 1 JKBF COc1cccc(-c2cc(COc3ccc4c(c3)oc(=O)c3ccccc34)nc3c2oc2ccccc23)c1 587367016 WHPRYPQXKMIBIW-UHFFFAOYSA-N 499.522 7.495 5 1 JKBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCCCCC[N+](C)(C)C)[C@@H]1c1ccccc1C(F)(F)F 169714274 QBNKIZCQSBLZBC-FYYLOGMGSA-N 497.578 5.137 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc([N+](=O)[O-])c1 587135920 RZCHICAPXPGLDI-UHFFFAOYSA-N 479.411 5.546 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)CC2=O 587464101 IKZPMCPGNIOGKG-HSZRJFAPSA-N 487.430 6.771 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)(C)C)c(-c3ccncc3)c2c1 587620250 BERIRPFTUBKMGL-UHFFFAOYSA-N 480.546 5.245 5 1 JKBF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@]3(CCCC[C@@H]3c3ccc([N+](=O)[O-])c(Cl)c3)N12 962657974 DPTZEJNYLBUQQU-WGURPXDASA-N 479.964 5.448 5 1 JKBF Nc1c([C@]2(c3ccc(Cl)cc3)c3c(F)cccc3C[C@@H]3CCCN32)oc2cc([N+](=O)[O-])ccc12 963104042 GPXXLSAIEZZLRR-QYBDOPJKSA-N 477.923 6.028 5 1 JKBF CC1(C)COC(CCC[C@]2(c3cccc([N+](=O)[O-])c3)c3c(F)cccc3C[C@H]3CCCN32)OC1 963105387 PWSGCTMLOTZUEP-ZBLYBZFDSA-N 468.569 5.567 5 1 JKBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)CCC=C(C)C)C[C@H](C(C)(C)O)O4 2356723326 FADVHPZQTZALCA-HSZRJFAPSA-N 494.584 5.676 5 1 JKBF CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCc1ccc(OC(F)(F)F)cc1 2483660 WGKZPCOGFTUOIW-UHFFFAOYSA-N 497.857 6.029 5 1 JKBF O=c1nc(-c2ccccc2)cc(-c2ccc(OCc3cc(=O)oc4c3ccc3ccccc34)cc2)[nH]1 49583182 FVNYUKNGNDVJGH-UHFFFAOYSA-N 472.500 5.943 5 1 JKBF CCc1cnc(-c2cnc(NCCc3ccccc3OC)nc2-c2cccc([N+](=O)[O-])c2)s1 82163911 HUVDQZRTXJYMNH-UHFFFAOYSA-N 461.547 5.401 5 1 JKBF COc1ccc(-c2cnc(-c3cnc(NC[C@H]4CCCO4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 82174482 PAGSJFFLSFOOLM-HXUWFJFHSA-N 489.557 5.442 5 1 JKBF COc1cccc(-c2ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c(Cl)c2)c1 587052339 OTKHYIFIEGQVLW-UHFFFAOYSA-N 458.699 6.230 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C)c2c1 587618035 MQWFPZWQZOCBEZ-UHFFFAOYSA-N 471.922 5.514 5 1 JKBF O=[N+]([O-])c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 587875383 KCTRNWJDGDZYCA-UHFFFAOYSA-N 486.868 5.147 5 1 JKBF O=[N+]([O-])c1ccc(-c2cn([C@H](CN3CCOCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 653886926 LPPFMXYDGIQRLK-XMMPIXPASA-N 485.569 5.143 5 1 JKBF O=[N+]([O-])c1ccc([C@@H]2CCCCCC[C@]23NC2(CC2)Cc2ccc(Br)cc23)cc1 961612096 DZGCLDUAOJRAAZ-URXFXBBRSA-N 455.396 6.369 5 1 JKBF COc1cc([C@H]2NCCc3cccc(-c4ccccc4)c32)cc([N+](=O)[O-])c1I 962660277 IBVSQZQKYCRILY-JOCHJYFZSA-N 486.309 5.110 5 1 JKBF Cc1ccc([C@@]2(c3ccccc3C(=O)O)NCCc3cccc(-c4ccccc4)c32)cc1[N+](=O)[O-] 962674686 YMKNPPNMJKRXGE-LJAQVGFWSA-N 464.521 5.706 5 1 JKBF O=[N+]([O-])c1c(Br)cc(Br)c2c1Nc1c(ccc(Cl)c1Cl)S2 5957153 RDHDWQQGGAXHCH-UHFFFAOYSA-N 470.957 6.635 5 1 JKBF O=[N+]([O-])c1cc2c(OCC[C@@H]3CCCCN3)c(-c3ccc(Cl)c(Cl)c3)c(O)nc2cc1Cl 29416649 VSATUVSPDAYJSO-ZDUSSCGKSA-N 496.778 6.387 5 1 JKBF O=[N+]([O-])c1cn(C[C@H](OCc2ccc(F)cc2)c2ccc(Cl)cc2Cl)c(Br)n1 66078155 VVYYAEFLMYIRHG-INIZCTEOSA-N 489.128 5.958 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2nc3ccccc3s2)cc1 82174887 XPBBMVQQZCSXIU-UHFFFAOYSA-N 487.972 6.637 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 587057203 TWYRNQPOROWPGH-UHFFFAOYSA-N 483.105 6.379 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587736514 SEIMOZMPBJVNRJ-MCMMXHMISA-N 459.290 5.462 5 1 JKBF O=[N+]([O-])c1ccc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(C(F)(F)F)c1 962965257 ZXWXMCUMPJGLLW-GOSISDBHSA-N 460.374 5.373 5 1 JKBF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(F)c1 963256807 FTUHGLNGMRBDBC-DEOSSOPVSA-N 456.901 5.384 5 1 JKBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)CCC=C(C)C)C=CC(C)(C)O4 2356477117 XDMFZDJOFFBFDK-UHFFFAOYSA-N 476.569 6.785 5 1 JKBF CN(CCCCCCCCCCCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1ccccc1 28641441 JLVUWPGHBWDHKA-UHFFFAOYSA-N 499.695 8.358 5 1 JKBF in-vivo O=C1[C@H](Cc2ccccc2)N=C(c2ccccc2)c2ccccc2N1Cc1cccc([N+](=O)[O-])c1 66136480 XZHPLAFUZPFORF-SANMLTNESA-N 461.521 5.590 5 1 JKBF O=[N+]([O-])c1cccc([C@@H]2ONC3=C2[C@H](c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@H]32)c1 82157150 DIFMRIZVFMWUOY-NSIYGSDQSA-N 467.569 6.241 5 1 JKBF Cc1oc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163599 PGLHVMAJJKAMKE-FQEVSTJZSA-N 457.490 5.273 5 1 JKBF CCCCCc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163606 NYPXZNVZAXRSRG-LJQANCHMSA-N 451.527 5.339 5 1 JKBF CC[C@@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174714 ZESTYDZRDLMUJX-OAHLLOKOSA-N 491.573 6.070 5 1 JKBF CC(C)C(=O)c1c(Nc2cc(Cl)cc(Cl)c2)nc2c(Cl)ccc([N+](=O)[O-])c2c1O 84604790 BVHXYHDBZFKZNF-UHFFFAOYSA-N 454.697 6.391 5 1 JKBF Brc1ccc([C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)N2CCCC2)cc1 586984028 BQTDCFIORPNSSY-QHCPKHFHSA-N 458.363 5.607 5 1 JKBF O=C1c2ccccc2-c2cc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc3ccc(O)c1c23 586986342 LFKBFWROMWLXKA-UHFFFAOYSA-N 450.372 5.670 5 1 JKBF Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587117895 JVHOVOCIWJOPRD-JTQLQIEISA-N 476.484 5.799 5 1 JKBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587265968 IAEGRXTVQJWPCS-ZETCQYMHSA-N 490.192 5.214 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)N1 587742810 BBQKPFUGHOIBMB-XMHCIUCPSA-N 487.325 5.405 5 1 JKBF CCO[C@@H]1CCCN1c1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc23)c(F)c1 1772627518 UXBJXOYOPUSJBI-HSZRJFAPSA-N 469.524 5.414 5 1 JKBF CCOP(=O)(OCC)[C@H](NCC[N+](C)(C)CC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1857565603 PJZIBTYTMLJSON-QHCPKHFHSA-O 471.643 5.938 5 1 JKBF CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1[N+](=O)[O-])C[C@H]4OCC)O[C@@H](C)CC3=O 29132865 QOLVZALCPIGQFF-PNHOKKKMSA-N 493.512 5.609 5 1 JKBF CCN1CCC[C@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccc([N+](=O)[O-])cc23)C1 29204187 ZVPRKSNMIAEGIR-AWEZNQCLSA-N 461.353 5.485 5 1 JKBF Nc1ccc(-c2ccc3[nH]c(-c4ccc(Cn5cc([N+](=O)[O-])c(C(F)(F)F)n5)cc4)nc3c2)cc1N 587118319 LZTWMACDGWVLDA-UHFFFAOYSA-N 493.449 5.233 5 1 JKBF Cc1c(I)cnn1[C@@H](C)c1nc2c3ccccc3c3ccccc3c2[nH]1 587183439 YPVVGBNJMWLICO-ZDUSSCGKSA-N 452.299 5.588 5 1 JKBF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3cc([N+](=O)[O-])ccc3SCc3ccco3)N12 962661728 ICYBASTUNKGWFJ-BVAGGSTKSA-N 489.553 5.216 5 1 JKBF O=[N+]([O-])c1ccc([C@]2(c3ccccc3Cl)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962703786 NRYMPDNFBPULDV-KBMIEXCESA-N 468.981 6.043 5 1 JKBF COc1ccc2c(c1OC)c(-c1ccc3c(c1)OCO3)[n+]1c3c2ccc2c4c(cc(c23)CC1)OCO4 1857544839 HYNBTYPMVFUZBW-UHFFFAOYSA-N 480.496 5.131 5 1 JKBF C[C@](O)(CSc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857577669 RJWKLWFVRLRGJT-INIZCTEOSA-N 468.375 5.114 5 1 JKBF CC(C=CC=C(C)C=C[C@]1(O)[C@@H](C)CC(=O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C(=O)O 2356428278 FDJMTBRSNJXYKT-YZNIXAGQSA-N 464.646 6.837 5 1 JKBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135335 CKXODFYDRSDFNM-OALUTQOASA-N 491.567 5.496 5 1 JKBF CCCCCc1nc(-c2cnc(NCc3ccc(C)cc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163857 GJEDBCXHBLVROF-UHFFFAOYSA-N 471.561 6.668 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3ccnc(Br)c3[nH]2)ccc1Sc1nc2ccccc2s1 587035347 PDZYMLPGRBQCCR-UHFFFAOYSA-N 484.360 6.057 5 1 JKBF O=C(O)c1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587345538 ZXFBVXUMKBHVHS-LSYYVWMOSA-N 499.450 5.440 5 1 JKBF COC(=O)C(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627541 BHDJUXXNRLEZGT-UHFFFAOYSA-N 460.286 5.136 5 1 JKBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(C)c(C(=O)c3cccc([N+](=O)[O-])c3)n3ccccc23)N1 962944374 HSAOVVJJJIXGGW-WINIVTDRSA-N 478.552 5.882 5 1 JKBF N[C@@H](CO)[C@H](O)/C=C/CCCOC(=O)CCCCCc1ccc2ccc3cccc4ccc1c2c34 29341844 UBUVKVMDGQXIOO-GLXUYSAJSA-N 473.613 5.247 5 1 JKBF Cc1ccc(CNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82135961 LISIXKBJMQHSLM-UHFFFAOYSA-N 465.554 5.320 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2)nc1C(F)(F)F 587118999 SZQGZDKFRBRCQH-UHFFFAOYSA-N 457.199 5.104 5 1 JKBF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1C 587165622 GRNJJIGYFSPNQU-UHFFFAOYSA-N 470.888 5.460 5 1 JKBF O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3c4ccccc4cc4cccc2c34)[C@H]1c1ccc(F)cc1 587350375 HRVDICWMFFYKPM-BHBYDHKZSA-N 460.460 6.288 5 1 JKBF CN(C)c1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587508823 FMUQNVXDZLFCPV-MUUNZHRXSA-N 486.524 5.147 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587785197 YMAUXMSBPDICQP-JYRVWZFOSA-N 450.292 5.983 5 1 JKBF Cc1c([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 963105516 MRNOFHAWYFNPDZ-NEKDWFFYSA-N 455.533 6.155 5 1 JKBF CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(Oc1ncnc(Oc3ccccc3Cl)c1[N+](=O)[O-])C2 1772619360 CGYXJUVLLRILLG-ZIAGYGMSSA-N 476.917 5.140 5 1 JKBF O=[N+]([O-])c1ccc(N2CCC(NCC[C@H](O)c3ccc(F)c(Cl)c3)CC2)c(C(F)(F)F)c1 1857749448 FFAOIJAFLKKBOG-FQEVSTJZSA-N 475.870 5.088 5 1 JKBF C[C@@H](OC(=O)c1c(Cl)cc(Cl)cc1Cl)c1cccc2nc3c(C(=O)O)cccc3nc12 29470530 KNJUJRXKNRBBEE-SNVBAGLBSA-N 475.715 6.359 5 1 JKBF COc1ccc(-c2c3c4ccccc4oc(=O)c3n3ccc4cc(OC)c(OC)cc4c23)cc1OC 40401720 IEFQXIKWBQHCRX-UHFFFAOYSA-N 481.504 6.054 5 1 JKBF O=[N+]([O-])c1cccc(-c2ccc(-c3cnnc(N4CC[C@H](c5cccc(Cl)c5)C4)n3)cc2)c1 103226966 LHWLZLCRIFXEQO-NRFANRHFSA-N 457.921 5.761 5 1 JKBF CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]3[C@H]2C1 299816803 SCFFICSANODMCT-ZVLTXUJWSA-N 471.557 5.909 5 1 JKBF Cc1cc2nc(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)[nH]c2cc1[N+](=O)[O-] 587030759 KQBRPNFLYDRNON-UHFFFAOYSA-N 452.923 5.902 5 1 JKBF Cc1c(Br)ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 587035810 UDFKRYQXFDNFDZ-UHFFFAOYSA-N 497.399 6.970 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 587570819 MBSGKFHKAGXSJS-BVAGGSTKSA-N 491.858 5.998 5 1 JKBF CN(C)C(=O)c1ccc2c(c1)[C@@]1(NCC2)c2ccccc2CC[C@H]1c1cc(Cl)c([N+](=O)[O-])cc1F 962933195 SIJDJRNELBUZSF-KDYSTLNUSA-N 493.966 5.208 5 1 JKBF COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC 774821 GTYCRDAISOKJSK-UHFFFAOYSA-N 493.903 5.517 5 1 JKBF CCN(Cc1ccccc1)C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82149852 CDQIDLKINKCLQV-UHFFFAOYSA-N 473.577 5.706 5 1 JKBF COc1c(O)cc2oc3cc(O)c(C/C=C(/C)CCC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 150298741 ABFFWBKBJIQSFF-WQRHYEAKSA-N 478.585 6.816 5 1 JKBF O=C(O)c1cn(CC(F)(F)F)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2c1=O 169308505 XPZTYKPPBXRBIJ-UHFFFAOYSA-N 475.426 5.539 5 1 JKBF CCN(CC)CCCCOc1ccc2c(=O)c3c(O)cc(OCCCCN(CC)CC)cc3oc2c1 299861751 LZCGPDPNUNDROW-UHFFFAOYSA-N 498.664 5.653 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587041541 XGSIEPAHPOGCMS-UHFFFAOYSA-N 467.348 6.079 5 1 JKBF CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587726057 HOHJUMZEYVKPIF-ZAMGYDSWSA-N 488.332 5.503 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1 587744288 CUGVWWSXACGIJO-PKQAIAMASA-N 478.318 5.492 5 1 JKBF CCN1CCC[C@@]2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)C1=O 73129795 SUJPLSLDZHKORQ-HKBQPEDESA-N 483.656 5.322 5 1 JKBF COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CC4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 82163559 DQCXIJBJCBIUBJ-UHFFFAOYSA-N 489.557 5.681 5 1 JKBF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82216942 MWTPLIPTYQFWQF-VGSWGCGISA-N 451.571 5.353 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)N1 587720528 SDAAUKHQIOVPHP-MCMMXHMISA-N 459.290 5.462 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587081623 RRGPBCHTARUXIJ-UHFFFAOYSA-N 469.686 5.264 5 1 JKBF COc1cccc(-c2cc(-c3c4ccccc4cc4ccccc34)nc3c2oc2ccccc23)c1 587364992 HMSQKJQXXYXPRA-UHFFFAOYSA-N 451.525 8.630 5 1 JKBF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O 587458424 BIQUEJWMCZZQLS-RUZDIDTESA-N 451.906 6.124 5 1 JKBF COc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c(C)c1[N+](=O)[O-] 587696359 TZBNRIMVEAPHNL-AYLIAGHASA-N 457.727 5.265 5 1 JKBF O=[N+]([O-])c1cccc([C@@]2(CCSc3ccc(Cl)cc3)c3ccc(F)cc3C[C@H]3CCCN32)c1 963105213 PLIXLYLPAWBZBN-GJZUVCINSA-N 483.008 6.834 5 1 JKBF C[N+](C)(C)[C@@H]1CCC[C@@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1CCCCC1 28712525 UNKINHDOSMZFNA-RPBOFIJWSA-O 458.644 7.149 5 1 JKBF CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)c(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 29401627 MLORPVDQFWDMDN-DNQXCXABSA-N 493.560 6.646 5 1 JKBF CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(O)ccc1[N+](=O)[O-] 71330050 YIXKEWUEPUUUMG-KRWDZBQOSA-N 459.779 5.239 5 1 JKBF Cc1cc(N2CCC(NC(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)c2cc(C(F)(F)F)ccc2n1 299855226 ASPPKNHLWINVKI-UHFFFAOYSA-N 489.523 5.426 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587055966 RQQARAPJYROFPV-HSZRJFAPSA-N 478.936 5.831 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc([N+](=O)[O-])c1 587137276 WYWFBZPEFWFSND-UHFFFAOYSA-N 455.514 7.404 5 1 JKBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 587262413 RNHIRNBURPCKKM-UHFFFAOYSA-N 462.344 5.588 5 1 JKBF COc1cc2c(cc1OC)[C@@](C)(c1cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c1)N(C)[C@@H](C)C2 962641301 ZVPDAHWEQRNWAU-YMGMXPECSA-N 489.572 5.313 5 1 JKBF O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)c([C@H]2c3ccsc3CCN2Cc2ccco2)c1 962701380 DAJUYHMVKPQRTK-HSZRJFAPSA-N 491.535 6.176 5 1 JKBF C[C@@]1(c2ccc(Br)cc2[N+](=O)[O-])c2cccc(F)c2CCN1[C@H]1CCSC1 962706732 OIHGPLKNJQGGEI-XOBRGWDASA-N 451.361 5.124 5 1 JKBF O=S(=O)(O)Oc1c2ccccc2c2ccc3c(OS(=O)(=O)O)c4ccccc4c4ccc1c2c34 4551892 QIVXQJHLRHKUSL-UHFFFAOYSA-N 494.502 5.254 5 1 JKBF COc1cc(-c2c3c4ccc(O)cc4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)ccc1O 28520903 UIEZQGRBCXSXNR-UHFFFAOYSA-N 469.449 5.153 5 1 JKBF O=C1c2ccccc2C(=O)N1CCCCCCCCCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 58541332 VARGDVGJIMZDTR-UHFFFAOYSA-N 492.494 6.409 5 1 JKBF O=[N+]([O-])c1cccc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2nc3ccccc3s2)c1 82163923 HYLQBHARZRWKTP-UHFFFAOYSA-N 487.972 6.637 5 1 JKBF O=C(Nc1ccccc1)Nc1nc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cs1 587019917 ZUFAJHYODYQDQF-UHFFFAOYSA-N 451.515 5.351 5 1 JKBF Cc1nn(Cc2ccccc2-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(C)c1[N+](=O)[O-] 587267508 LIVVRXPIZKIACG-UHFFFAOYSA-N 453.502 5.579 5 1 JKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 587268736 CKZLUIYDFLHSHW-UHFFFAOYSA-N 497.964 5.193 5 1 JKBF C[C@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344635 XHKXOTCQEOHASX-XTEPFMGCSA-N 485.467 6.506 5 1 JKBF COC(=O)c1ccc(Oc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587508922 GLHGISSJBKIEFO-VWLOTQADSA-N 473.481 5.759 5 1 JKBF COc1ccc(N=c2[nH]c(-c3cccc(C(F)(F)F)c3)nc3ccc([N+](=O)[O-])cc23)cc1OC 1857747533 RREYFAKMGYIYMQ-UHFFFAOYSA-N 470.407 5.407 5 1 JKBF C[C@@](C(=O)O[C@H]1C[N+]2(CCOc3ccc(Cl)cc3)CCC1CC2)(c1ccccc1)N1CCCCC1 73164232 MKXOEYWYQYOBEQ-BNAAVTMESA-N 498.087 5.272 5 1 JKBF Cc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82174901 PTEMWJCEJREFTE-UHFFFAOYSA-N 467.554 6.292 5 1 JKBF COc1cc2cc(C(=O)C[C@H]3CCCC[N@+](C)(Cc4ccccc4)CC3)sc2cc1OC 261137708 MKTGQOMRSQXJEL-MMTVBGGISA-N 452.640 6.328 5 1 JKBF CCCCOc1cc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2cc1Br 587271422 CAXUGRGMJXUFHC-UHFFFAOYSA-N 482.334 6.872 5 1 JKBF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc([N+](=O)[O-])cc1Cl 587509725 WJWMHHOMIRTIPF-AREMUKBSSA-N 493.943 6.421 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc2)N1 587749909 ZZSLMWUEYJRDAS-YTEVENLXSA-N 485.309 5.485 5 1 JKBF CC(C)=CCOc1cc(O)c2c(=O)c3cc(OCC=C(C)C)c(OCC=C(C)C)cc3oc2c1 1857553595 RNRVMLVQTVNEDP-UHFFFAOYSA-N 464.558 6.687 5 1 JKBF Cn1c2c3ccccc3nc-2c(N2C3=CCC=C[C@@H]3c3nc4ccccc4cc32)c2ccccc21 2356737607 HYJDHWJYPDIKFT-NRFANRHFSA-N 450.545 7.459 5 1 JKBF COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCc2ccccc2F)c([N+](=O)[O-])cc1OC 773752 BLPMGWNICIEERT-UHFFFAOYSA-N 495.438 5.142 5 1 JKBF CC(C)C(=O)N(c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 36189676 ZFXRZGCZDCRDBC-HIJVVHCSSA-N 495.664 5.816 5 1 JKBF C[C@@](C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)N1CCCCC1 73196512 YHGPEGHFOGAKHM-JRZMRVHDSA-N 483.698 5.071 5 1 JKBF COc1cc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(Cl)c1OCC(C)C 587046051 CRXWWNMYMCNZTG-CMDGGOBGSA-N 458.949 6.527 5 1 JKBF Clc1cccc(COc2ccc(/C=C/c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c1 587071889 UKDQQLPMMZZHCH-JLHYYAGUSA-N 462.940 7.062 5 1 JKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587109838 OHVMDHVISHGSFP-UHFFFAOYSA-N 468.151 5.862 5 1 JKBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587266839 PNUNGGXSHSHXJC-ZETCQYMHSA-N 463.294 5.590 5 1 JKBF O=C1C[C@@H](c2ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587504709 FUNGSUVOUCRWMX-QHCPKHFHSA-N 499.510 7.350 5 1 JKBF O=C1C[C@H](c2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)Oc2c1ccc1c2CCCC1 587538639 QOXRUZDMLFTABW-JOCHJYFZSA-N 488.590 6.941 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 587576189 NFLMCZBXDFIEMI-NAKRPHOHSA-N 493.475 5.277 5 1 JKBF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccc(SC4CCCCC4)c([N+](=O)[O-])c3)N12 962669875 QNDVQVVILOGEAC-SHQCIBLASA-N 491.613 5.756 5 1 JKBF COc1ccc([N+](=O)[O-])cc1CSc1nc(N)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3 1857746568 WKEGXHATYBEDST-ZDUSSCGKSA-N 458.609 5.634 5 1 JKBF Cc1ccc(S(=O)(=O)N(CCCNCCCCN)Cc2c3ccccc3cc3ccccc23)cc1 13522124 GANMZUVVLCZJFP-UHFFFAOYSA-N 489.685 5.211 5 1 JKBF Cc1ccc(Nc2cc(Oc3c(C)cc(Br)cc3C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 53314337 VCZHIFKMFUBLFY-UHFFFAOYSA-N 472.295 6.727 5 1 JKBF O=C(Nc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)Nc1cccc([N+](=O)[O-])c1 96167960 ONZLULVMERVWDC-UHFFFAOYSA-N 488.525 5.707 5 1 JKBF CCC[P@](=O)(Oc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1)OC(C)C 169342865 FVVHUJCPPABXQY-JGCGQSQUSA-N 456.439 6.202 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c([N+](=O)[O-])c2)N1 587680109 SIYICMMEGRWXDG-VVVCHXIZSA-N 458.125 5.057 5 1 JKBF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccc([N+](=O)[O-])cc1 587750128 GTAAVLMODOSXER-ZLOXQWCVSA-N 487.325 5.921 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 587751646 NJERSSYZSCAZNX-LNTNWRBDSA-N 467.338 5.988 5 1 JKBF CCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 2481099 BMMWBSJPWHENRX-UHFFFAOYSA-N 459.886 5.117 5 1 JKBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCOc1ccccc1 4216165 BYDVRFLSASKNRC-PKTZIBPZSA-N 473.957 5.457 5 1 JKBF COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3Cl)[C@H]1C2 73139906 ZKUAYZSWZMMLHE-CYFREDJKSA-N 492.919 5.431 5 1 JKBF Cc1onc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)c1COc1ccc(Cl)cc1 587075882 LZXUGUSEUMFNAO-UHFFFAOYSA-N 463.675 5.429 5 1 JKBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587269884 SOUYKDQDESWZDC-UHFFFAOYSA-N 482.290 5.204 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2N(C)c2cc3c(=O)c4ccccc4n(C)c3cc21 587397905 CJPFLOFIGKTFGN-WJOKGBTCSA-N 487.559 5.573 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 587748613 ALOVUSMHMSQSEV-YTEVENLXSA-N 455.283 5.428 5 1 JKBF Cc1c(F)ccc2c1[C@](CCCCCC(=O)O)(c1cc3ccccc3c3ccccc13)NCC2 962147364 OYXCHYWUVNSIGX-PMERELPUSA-N 455.573 6.865 5 1 JKBF COc1cc2c(cc1OC)[C@@H](c1ccc([N+](=O)[O-])o1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962675330 HGMDOEFTBUWRCQ-NRFANRHFSA-N 476.407 5.012 5 1 JKBF O=C(O)Cn1c(Cc2ccc(Cl)cc2)nc2c(-c3ccc(Cl)cc3)nc3ccccc3c2c1=O 1857635882 SLYILAODMUJLCM-UHFFFAOYSA-N 490.346 5.594 5 1 JKBF CCc1c(C)c2cc3nc(cc4[nH]c(c5c6nc(cc1[nH]2)C(C)=C6CCC5)c(CC)c4C)C(C)=C3C 13458592 HEGOOBSWTRWHDU-UHFFFAOYSA-N 476.668 8.274 5 1 JKBF CC(C)(C)OC(=O)C[C@](C)(O)C[C@H](O)CSc1nc2c3ccccc3c3ccccc3c2[nH]1 27441166 SJVNCXHIUZEQPS-YHAMSUFESA-N 466.603 5.195 5 1 JKBF COc1cccc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)c1 36455161 YMEGTTNXCFCPBX-UHFFFAOYSA-N 483.476 5.456 5 1 JKBF O=C(c1c2ccccc2cc2ccccc12)N1CCN(C2CCN(C(=O)C3CCCCC3)CC2)CC1 49034348 HFLMAGRECQLDDB-UHFFFAOYSA-N 483.656 5.322 5 1 JKBF CC(C)CN(CC(C)C)C(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 82136175 CVRSMSNNXDYDAB-UHFFFAOYSA-N 461.566 5.418 5 1 JKBF COC(=O)C1=C(C)NC(C)=C(c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@H]1c1cccc(Cl)c1Cl 587056634 QDFBTCDSIUHXBU-LJQANCHMSA-N 473.316 5.343 5 1 JKBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587159588 STVDJNOPXMCBMN-UHFFFAOYSA-N 472.270 5.531 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(I)cc4[nH]3)c2)cc1 587272456 TWLPCGYYWSNGON-UHFFFAOYSA-N 457.227 5.535 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)cc1 587273211 QRWADTGQWGSGIH-UHFFFAOYSA-N 478.224 6.712 5 1 JKBF O=C(c1cccc(OC(F)F)c1)c1c(-c2cccc(OC(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587646637 YXIUCMXNDCPAGV-UHFFFAOYSA-N 474.366 6.177 5 1 JKBF Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587697855 UPSJOHVHKBAAQT-FATZIPQQSA-N 489.772 6.284 5 1 JKBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1 587868229 ISWHUPBFRIDSEX-UHFFFAOYSA-N 498.417 5.148 5 1 JKBF C[N+](C)(C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 34049451 QQJRQLNVCYHBED-UHFFFAOYSA-O 458.369 5.099 5 1 JKBF CCCCCCN(CCCCCC)C[C@H](O)c1cccc2ccc3cccc(Br)c3c12 169337072 UMMJCRKPTGDCSR-SANMLTNESA-N 484.522 8.252 5 1 JKBF COc1ccccc1-c1cc(-c2cc3c(ccc4ccccc43)oc2=O)nc(Cc2ccc(F)cc2)n1 473115306 RMXSMAHMWGHIQD-UHFFFAOYSA-N 488.518 6.809 5 1 JKBF O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc([N+](=O)[O-])cc6[nH]5)c34)c12 586883872 MGFZMHSECOKCIM-UHFFFAOYSA-N 459.461 6.810 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 587122862 FFYBPEVBKMVRGJ-UHFFFAOYSA-N 462.247 5.566 5 1 JKBF O=C(Nc1cccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 587243386 FEMMGRYLGMQKHM-UHFFFAOYSA-N 491.507 5.818 5 1 JKBF O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341557 JUYYHMNJWFUFPP-LSYYVWMOSA-N 497.434 5.421 5 1 JKBF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(Br)cc1[N+](=O)[O-] 587653050 BTRSDWUIEMJETQ-UHFFFAOYSA-N 458.218 5.002 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)N1 587754336 YCVRHCSVNRQNFH-QKVFXAPYSA-N 461.287 5.292 5 1 JKBF O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 1772604879 JCCOKLQZKHCTBR-UHFFFAOYSA-N 480.424 5.058 5 1 JKBF O=[N+]([O-])c1ccc(N2CCC(NCC[C@@H](O)c3ccc(F)c(Cl)c3)CC2)c(C(F)(F)F)c1 1857749449 FFAOIJAFLKKBOG-HXUWFJFHSA-N 475.870 5.088 5 1 JKBF O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccc(C(F)(F)F)cc1 96269766 YZSQQCSTOBVGNF-UHFFFAOYSA-N 474.442 6.091 5 1 JKBF O[C@H](C[C@H]1CCCCN1)c1cc2cc(Br)ccc2c2cc(C(F)(F)F)ccc12 169337790 LCNWRLAJHIEHCI-IIBYNOLFSA-N 452.314 6.340 5 1 JKBF CC[N@+]1(C)CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 254111020 ATTLRCVUJOHHKI-KCMSVQPVSA-N 462.224 5.857 5 1 JKBF CC[N@+]1(C)CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 254111024 ATTLRCVUJOHHKI-MDGPWXEQSA-N 462.224 5.857 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(Br)cc2[nH]1 586949214 VFLKYZLENAEGOY-UHFFFAOYSA-N 487.335 5.010 5 1 JKBF Cc1cc2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2cc1[N+](=O)[O-] 587054256 JEYWVDCRUAYBKO-ZDUSSCGKSA-N 458.301 7.019 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 587166511 VCQQBAHWAMFENG-UHFFFAOYSA-N 472.299 5.340 5 1 JKBF CC[C@H](C)n1ncc(I)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587181066 MNFUBWIHHGTZQA-NSHDSACASA-N 468.302 5.098 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)N1 587841537 BPCJFWSWBIOPDZ-MCMMXHMISA-N 473.367 6.271 5 1 JKBF CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCc1cccc(C(F)(F)F)c1 776281 XTGGEDHZXVMUGT-UHFFFAOYSA-N 491.422 5.225 5 1 JKBF COC(=O)c1cccc2nc3c([C@H](C)Oc4ccc5nc6ccccc6nc5c4)cccc3nc12 3952737 UMCSSUSEJCLNON-INIZCTEOSA-N 460.493 5.806 5 1 JKBF biogenic CC1(C)[C@H]2CC=C(C[N+]3(C)CCC(NC(=O)Nc4cc(F)cc(C(F)(F)F)c4)CC3)[C@@H]1C2 28708725 UHEIMFYWKSXTFD-KQOJQTIYSA-O 454.532 5.567 5 1 JKBF Cn1c2n/c(=N\c3ccc(Cl)cc3)n3ccc4ccccc4c3c2c(=O)n1-c1ccccc1 31870634 JHBWFURRDLGFEY-BYCLXTJYSA-N 451.917 5.016 5 1 JKBF Cc1nc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163761 GEBICOLCMUVGBJ-UHFFFAOYSA-N 485.422 5.834 5 1 JKBF CCCCCc1nc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163952 ZSLCAQHYTPFBPB-UHFFFAOYSA-N 485.588 6.711 5 1 JKBF CC(C)CCOc1ccc(Br)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 586982448 YMGICKHOEXJZPG-UHFFFAOYSA-N 461.363 6.514 5 1 JKBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1cccc(Cl)c1 587071187 KMGDEGQDWUVPDX-IBGZPJMESA-N 473.964 6.121 5 1 JKBF C[C@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332609 RODHFNMJKMOGGJ-LADGPHEKSA-N 484.867 5.239 5 1 JKBF CCCCN(CCCC)c1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 587663925 SPJWQDVQRYKTEX-UHFFFAOYSA-N 486.572 6.073 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)N1 587752320 QZIOZIUAEKCEEC-XMHCIUCPSA-N 481.325 5.435 5 1 JKBF Cc1ccc(-c2ccc3c(c2)C[C@@H](C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCC3)cc1 72106411 DLDMBICNXCWVTP-LJAQVGFWSA-O 497.703 6.551 5 1 JKBF Cc1oc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174590 KFBVDPOIWZMCMS-QZTJIDSGSA-N 469.545 6.165 5 1 JKBF CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 113054253 SRPFKYGZNVXNMX-KCTUUFLGSA-N 470.633 5.614 5 1 JKBF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3c4cccnc4c4ncccc4c3[nH]1)C(=O)OC2 586915724 QSEFEFZWDMMYFI-NVNXTCNLSA-N 494.551 5.474 5 1 JKBF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 587048375 URLRLPALUMPTRX-VZUCSPMQSA-N 486.837 6.566 5 1 JKBF CCOc1cc(/C=C/c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1OC(F)F 587130442 MITBHWULRNHTKA-GQCTYLIASA-N 454.227 5.404 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587263664 NIQZNLNHEHVBSN-OAHLLOKOSA-N 459.458 5.053 5 1 JKBF COc1cc(C=O)ccc1Oc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12 587645160 XZYBGRODFCIDGF-UHFFFAOYSA-N 457.269 6.663 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)N1 587695485 JZTXMULEXJCMPC-MQJDWESPSA-N 495.732 5.945 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 587753309 UZMWNDPGWDNGCM-ODCWNRFASA-N 494.364 6.123 5 1 JKBF Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(C(F)(F)F)cc3)c-2c/c1=N\C(C)C 95573473 XGNQGTSHWISPAF-IWBSIUBASA-N 487.529 6.905 5 1 JKBF C[N@+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@H]1[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 299814872 VCNWWPPKTLBCIZ-HHNDSTAQSA-N 487.322 7.321 5 1 JKBF C[N@+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@H]1[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 299814874 VCNWWPPKTLBCIZ-UPULCKDPSA-N 487.322 7.321 5 1 JKBF CC(C)(C)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 587037571 KEQUCIIJGGGFDG-UHFFFAOYSA-N 460.584 7.197 5 1 JKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 587268740 CQXKFNQANCMKCH-UHFFFAOYSA-N 455.234 5.520 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)O2 587377440 IKLXLQMEEMWONY-DEOSSOPVSA-N 463.877 5.376 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 587748610 ALOVUSMHMSQSEV-AMXDTQDGSA-N 455.283 5.428 5 1 JKBF CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1 82193580 MZQUCJLPOVEIQD-APWZRJJASA-N 460.600 5.028 5 1 JKBF CC(C)C(=O)c1c(Nc2cccc(Cl)c2Cl)nc2c(Cl)ccc([N+](=O)[O-])c2c1O 84604461 XLICSMPXMDPOCF-UHFFFAOYSA-N 454.697 6.391 5 1 JKBF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(Nc4ccc(OC)cc4)c([N+](=O)[O-])cc3C(=O)C[C@H]21 98084818 VNAIJAGZIWLDCA-QLBJFCOMSA-N 452.507 5.171 5 1 JKBF O=[S@@](CCCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(Br)cc1 586960272 NWSGEQFBPRAOMQ-LJAQVGFWSA-N 465.376 5.162 5 1 JKBF COc1cc(/C=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(Cl)c1OCC(C)C 587046765 LUZXIMUNWKGHQI-HJWRWDBZSA-N 458.949 6.527 5 1 JKBF NC(=O)c1ccccc1Oc1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644090 MOPYGNBOYKRJBI-UHFFFAOYSA-N 452.264 5.397 5 1 JKBF Cc1ccc([C@]2(c3ccc(Cl)c([N+](=O)[O-])c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587696346 SZXKYPVHGHJBHP-LFVRLGFBSA-N 489.772 6.284 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 587846129 GQJGHFDTVRSCID-GTJPDFRWSA-N 461.356 6.023 5 1 JKBF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 961782857 ZVJUEZBUVYDDQT-QHCPKHFHSA-N 492.601 5.959 5 1 JKBF COc1cc2c(cc1OC1CCCC1)C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N=C2c1ccccc1 1857560970 MRDGCBFFEIWTKT-DEOSSOPVSA-N 485.540 5.326 5 1 JKBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@H]1CC(=O)N([C@H]2CCCC[C@@H]2C2CCCCC2)C1 40764250 WDHRTPQZLVZIPX-RSGWKFRKSA-N 496.695 6.939 5 1 JKBF CCCCN(CCCC)c1ccc(CCc2ccc(Nc3ccc([N+](=O)[O-])cc3C(=O)O)cc2)cc1 40934325 HCJKXFCNXUTTTB-UHFFFAOYSA-N 489.616 7.228 5 1 JKBF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4cc(C)ccc4C(C)C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587432790 LTYYNYAQMRHGMV-CCLHPLFOSA-N 459.498 6.316 5 1 JKBF O=C(CCc1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12)N1C(=O)OC[C@@H]1c1ccccc1 587646162 WBEISGNDXIMHMG-JOCHJYFZSA-N 473.460 5.535 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c3ccccc3cc3ccccc23)(C(F)(F)F)N1 587709347 LGPPETJISCLXJN-SHACYNPGSA-N 488.322 7.235 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(=O)O)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587745743 IKAXOCMLEHENAM-NPMABZOXSA-N 485.309 5.021 5 1 JKBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963449710 RVZNVEAJRZPSCM-OZXSUGGESA-N 494.507 5.107 5 1 JKBF O=C(CCCc1ccc2ccc3cccc4ccc1c2c34)Nc1ccc(O)cc1C(=O)C[C@H](O)C(=O)O 28713667 AVTNVZZTBGAZSU-SANMLTNESA-N 495.531 5.269 5 1 JKBF CC(C)(C)c1ccc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@H]2CCCCN2)cc1 29466573 IEQJCAJJNAKNSJ-GOSISDBHSA-N 483.996 6.378 5 1 JKBF Cc1cc(Nc2ncc3c(n2)c(Nc2ccc(F)c(Cl)c2)nc2cc(C(=O)O)ccc23)[nH]n1 167612545 XUODPQGJBRXIBE-UHFFFAOYSA-N 463.860 5.187 5 1 JKBF COC(=O)c1ccc(Oc2ccc([C@@H]3c4c(ccc(OC)c4OC)C[C@@H](C)N3C)cc2[N+](=O)[O-])cc1 962620337 GXMCUKZXOURBQX-PUAOIOHZSA-N 492.528 5.157 5 1 JKBF COc1ccc2c(c1)[C@@H](c1ccc(Oc3nn(C)cc3[N+](=O)[O-])cc1)N(Cc1ccc(F)cc1)CC2 963304679 UHPHIWZOZGRVAQ-AREMUKBSSA-N 488.519 5.416 5 1 JKBF CC(C)c1ccc2nc3ccc(C(=O)NCCN(C4CCCCC4)C4CCCCC4)cn3c(=O)c2c1 29401023 XXMDAMHIBHADAB-UHFFFAOYSA-N 488.676 5.668 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2ccc(Cl)cc2c2c(Cl)cc(Cl)cc12 169338001 URWRIAOWYMAWFU-HSZRJFAPSA-N 452.853 7.889 5 1 JKBF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587246704 FEJRWPLURVXMTJ-UHFFFAOYSA-N 453.296 5.648 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)[C@H]1c1ccc(F)cc1 587328407 UJCLOBHLRJDGAL-BDYUSTAISA-N 489.886 6.396 5 1 JKBF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc([N+](=O)[O-])c21 587342614 OJSREPOXXVRWKO-NAKRPHOHSA-N 481.435 5.287 5 1 JKBF O=C1C[C@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)Oc2c1ccc1c2CCCC1 587504350 ISEQKWYMKGVTPR-XMMPIXPASA-N 467.880 6.765 5 1 JKBF COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c([N+](=O)[O-])c1 587746051 IUFLYJBDQVCOCE-MQJDWESPSA-N 461.287 5.389 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2[N+](=O)[O-])(c2ccccc2)N1 587746402 JUOAVLQTKXLJNE-FEXCRCJTSA-N 467.338 5.988 5 1 JKBF Cc1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 587747488 OFCCBFRSDNGBHG-QKFKETGDSA-N 471.326 6.221 5 1 JKBF O=c1ccc2cnc3ccc(-c4ccc(N5CCCC5)nc4)cc3c2n1-c1cccc(C(F)(F)F)c1 1857587352 BTUXMCBWFVNMFR-UHFFFAOYSA-N 486.497 6.220 5 1 JKBF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587035009 RXNPDOOOCKQSBN-CYBMUJFWSA-N 473.352 5.720 5 1 JKBF CCCCOc1cc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2cc1Br 587135533 GDKZGMUUUUTZGM-UHFFFAOYSA-N 498.352 7.194 5 1 JKBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CC1 587268861 CCENTUOLMXSRSV-UHFFFAOYSA-N 450.442 5.103 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)N1 587699453 XDCBDYZUFPAAPW-YBTHPKLGSA-N 464.722 5.564 5 1 JKBF O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@H](O)Cn3ccnc3)c(Cc3ccccc3)cc2c1 43024400 NWZWEGAUPAOXBG-RUZDIDTESA-N 484.487 5.595 5 1 JKBF O=[N+]([O-])c1cn(C[C@@H](OCc2ccc(Cl)cc2)c2ccc(F)cc2F)c(Br)n1 66079353 RNIXDRQOBHDZDS-MRXNPFEDSA-N 472.673 5.444 5 1 JKBF O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(F)c(C(F)(F)F)c1 71316925 REYNCADZGULYFT-UHFFFAOYSA-N 485.440 6.912 5 1 JKBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135099 XWGVYMWHXFYKFE-ROUUACIJSA-N 451.571 5.447 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc([N+](=O)[O-])c1 82135228 SPOOROREKPRVDC-UHFFFAOYSA-N 485.544 5.536 5 1 JKBF CCCCCc1nc(-c2cnc(NCCOc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163594 JDNUEHYGZWMXKW-UHFFFAOYSA-N 487.560 6.239 5 1 JKBF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c3ccccc3c3ccccc3c2[nH]1 587128136 JBAKXFDVVHEDNQ-UHFFFAOYSA-N 461.447 5.293 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587734347 QXGRBAKCTMZBEM-AMXDTQDGSA-N 491.357 6.410 5 1 JKBF CCC[C@@H](CC1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781258 HGBHIHKKIXWYBV-QFIPXVFZSA-N 492.623 7.021 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)N1 587847246 SWQAKVGEANMYEJ-LAJNKCICSA-N 477.355 6.005 5 1 JKBF C/C(=C\c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C1CCCCC1 587968521 RJYMUEZBSIMAKT-LFIBNONCSA-N 494.547 6.829 5 1 JKBF O=[N+]([O-])c1ccc([C@@H]2CCc3ccccc3[C@]23c2nc(Cl)cc4c2CCN3C4)c2ccccc12 963466742 FFQAXNAPRRQTGX-RBJSKKJNSA-N 467.956 6.142 5 1 JKBF O=c1c(Cl)c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12 1857586392 VARXOYNPYITUGK-UHFFFAOYSA-N 469.206 5.590 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@@H](c1ccc(C)cc1)CC(=O)N3 1857642207 HNHWONYYMZUOGL-QGZVFWFLSA-N 457.526 5.810 5 1 JKBF COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC 775337 AYQLPIOEQHAFGN-UHFFFAOYSA-N 477.448 5.003 5 1 JKBF CCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174042 ZIMXQLBQBZLEPO-UHFFFAOYSA-N 461.547 6.063 5 1 JKBF O=C(c1c(Nc2ccc(Cl)cc2Cl)nc2c(Cl)ccc([N+](=O)[O-])c2c1O)C1CC1 84605032 WSSZVZOIZUXHIQ-UHFFFAOYSA-N 452.681 6.145 5 1 JKBF C[N@+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1 255983466 KMLZVZXTJRRFSZ-AYWVHJORSA-N 482.282 7.118 5 1 JKBF O=C(O)c1cc2[nH]c(/C=C\c3ccsc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587026075 QYPFBJZOHJROJH-BHQIHCQQSA-N 480.501 6.077 5 1 JKBF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c4cccnc4c4ncccc4c3[nH]1)N2 587032950 WGMYUUIZECMVKR-RKPNYOAGSA-N 472.599 5.786 5 1 JKBF CCCCOc1cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2cc1Br 587273850 VUGYLIFHVLNSAI-UHFFFAOYSA-N 482.334 6.872 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1nccn1Cc1ccccc1[N+](=O)[O-])CC2=O 587472581 KIZOMJVMRBOYJR-LJAQVGFWSA-N 497.551 5.715 5 1 JKBF Cc1ccc([C@]2(c3ccc(Cl)c([N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587546472 QZDRRUJEFFVUGH-RPLLCQBOSA-N 487.895 6.168 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)N1 587698368 PWQBTTDRBJBZEH-SBKAZYGRSA-N 465.706 6.033 5 1 JKBF COc1ccc(COc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)cc2Cl)cc1 653871695 PSIDIBVKZJKXOX-UHFFFAOYSA-N 451.866 5.569 5 1 JKBF C[C@@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962701615 LKWHSTTZAUDXPB-IVZQSRNASA-N 475.636 5.715 5 1 JKBF O=c1nc(N2CC[C@@]3(CCN(CC4CCCCC4)C3)C2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857586773 INIJULYPBNFFSP-JOCHJYFZSA-N 496.555 5.066 5 1 JKBF O=C(Nc1ccc2cc3ccc(NC(=O)c4ccc(F)cc4)cc3nc2c1)c1ccc(F)cc1 28712666 LSWKBJOELKEXST-UHFFFAOYSA-N 453.448 6.171 5 1 JKBF COc1c(O)cc2oc3cc(O)c(C/C=C(/C)CO)c(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C 38944516 BXFCPUCGPCDZKT-XXGRXQMWSA-N 494.584 5.788 5 1 JKBF biogenic,in-vitro O=[N+]([O-])c1ccc(CN(Cc2ccc(Cl)cc2)C[C@@H]2CCN(Cc3ccccc3)C2)s1 84671701 QHEIHDDOKLYFDH-OAQYLSRUSA-N 456.011 5.834 5 1 JKBF Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587508705 SNIHEXZHSWOCOW-MHZLTWQESA-N 461.945 6.653 5 1 JKBF COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513938 VQPZOIKYXWSCBS-AREMUKBSSA-N 458.514 5.801 5 1 JKBF CC(C)(C)[C@@]1(COc2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541636 GJBVNDUZEGKVPE-OFVILXPXSA-N 483.904 5.779 5 1 JKBF CSc1ccc(/C=C/c2ccc3c(c2)c(=NCCN2CCCC2)c2oc4ccccc4c2n3C)cc1 1857537399 GYYSIMKLAURLJQ-MTRCNWHOSA-N 493.676 6.967 5 1 JKBF CCN(CC)C(=S)c1ccc(-c2c3ccc(=[N+](C)C)cc-3sc3cc(N(C)C)ccc23)s1 95560739 ZPFQVPGAZHGQIC-UHFFFAOYSA-N 480.748 5.850 5 1 JKBF C[N@+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@H]1c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1 255983468 KMLZVZXTJRRFSZ-QABMSTFYSA-N 482.282 7.118 5 1 JKBF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 586943823 GOUIDZDQQMQNCD-UHFFFAOYSA-N 483.618 6.119 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)ccc1Sc1nc2ccccc2s1 587037743 MUAHRDWLHHYPPA-UHFFFAOYSA-N 458.446 6.316 5 1 JKBF COc1cc(C=O)ccc1OC[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514391 XMPLBDBCYDKSBT-MUUNZHRXSA-N 487.508 5.234 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1 587747855 QLEPYZQOEIFLPM-MCMMXHMISA-N 457.299 5.912 5 1 JKBF CCOC(=O)CCCCCC[C@@]1(c2ccc(OC)c([N+](=O)[O-])c2)c2ccc(F)cc2C[C@H]2CCCN21 963104645 LYBQCEDFJBWMMN-QDPGVEIFSA-N 498.595 5.910 5 1 JKBF COC(=O)c1cccc2nc3c([C@@H](O)[C@H](CCCCCCC(C)C)C(=O)OC)cccc3nc12 2356383898 DQBJQIJYPPAUEG-NBGIEHNGSA-N 466.578 5.389 5 1 JKBF COc1cc2cc(C(=O)[C@H]3CCC[N+](C)(Cc4ccc([N+](=O)[O-])o4)CC3)sc2cc1OC 36286928 KFZOWBNTEIELDM-JMTKMGNOSA-N 459.544 5.049 5 1 JKBF O[C@@H](CC[C@@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169338504 WQCSUFPQZUJUAU-JTSKRJEESA-N 455.442 6.986 5 1 JKBF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc([N+](=O)[O-])c(Br)cc1C3 586987010 XJDRXZHRBZJRGW-UHFFFAOYSA-N 459.255 5.394 5 1 JKBF COC(=O)C1=C(C)NC(C)=C(c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@H]1c1cccc(Cl)c1Cl 587056629 QDFBTCDSIUHXBU-IBGZPJMESA-N 473.316 5.343 5 1 JKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587072846 YGAGKXGFLOMHGW-WMBPGHKDSA-N 481.177 6.907 5 1 JKBF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c(Cl)cc12 587078276 NFLYBLUZKMJQOE-SNVBAGLBSA-N 472.841 5.232 5 1 JKBF Fc1ccc(F)c(SCc2cccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)c1 587141668 ZREXTXZPYZJVIK-UHFFFAOYSA-N 454.505 6.897 5 1 JKBF Cc1cc2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc2cc1[N+](=O)[O-] 587167657 BBZNVMHSOUJDFV-UHFFFAOYSA-N 470.508 6.320 5 1 JKBF C[C@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335185 ZVUTYHFSINPTBG-FYYLOGMGSA-N 491.393 5.698 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](COc1ccc(C=O)cc1OC)(c1ccc([N+](=O)[O-])cc1)CC2=O 587472968 PECHRQGFPIDLQD-MHZLTWQESA-N 491.496 5.014 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 587547797 UPTNSXFIRBVQSX-XUZZJYLKSA-N 462.845 5.447 5 1 JKBF COc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c(C)c1[N+](=O)[O-] 587691096 BWEPCWCAVFBQGN-ZRNGKTOUSA-N 457.727 5.265 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 587712126 NYYKITVYHPAEEL-YPMLDQLKSA-N 461.253 5.507 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1 587747858 QLEPYZQOEIFLPM-WHEQGISXSA-N 457.299 5.912 5 1 JKBF CCCCc1cc2c3ccc(OC)c(OC)c3c(-c3ccccc3)[n+]3c2c2c(cc4c(c12)OCO4)CC3 1857557764 HLCYREOTHAKUMI-UHFFFAOYSA-N 492.595 6.745 5 1 JKBF O=[N+]([O-])c1cccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)c1 13441328 XPFGMUGGXJNCTR-UHFFFAOYSA-N 496.611 5.980 5 1 JKBF CCCCCCNC(=O)Nc1ccc2cc3ccc(NC(=O)NCCCCCC)cc3nc2c1 40846886 ZDAXDWFDWOBUOS-UHFFFAOYSA-N 463.626 6.792 5 1 JKBF Cc1oc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174072 VBTIKLJVYSDZGS-UHFFFAOYSA-N 495.514 6.476 5 1 JKBF Cn1c2nc3ccccc3c-2c(NCCCNC(=O)Nc2ccccc2)c2cc([N+](=O)[O-])ccc21 103080418 IWRONFJYFFSPLR-UHFFFAOYSA-N 468.517 5.363 5 1 JKBF COc1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc([N+](=O)[O-])c1O 104034111 BGHCOHJMARRHNQ-JCQPUDPBSA-N 463.515 6.000 5 1 JKBF Clc1cc(NCCCN2CCCCC2)c2cc3c(nc2c1)c1ccccc1n3CCN1CCCC1 299854743 AIVNRODETAFVMM-UHFFFAOYSA-N 490.095 6.380 5 1 JKBF CC(C)CCOc1ccc(Br)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 586982400 VHDNAYSVXNVTNE-UHFFFAOYSA-N 459.387 7.724 5 1 JKBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(OC(C)=O)cc2)(c2ccc([N+](=O)[O-])cc2)N1 962947948 KMHYYJMVKTZELH-NFQMXDRXSA-N 455.514 5.218 5 1 JKBF Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCc2ccccc21 40981025 RRIMNMVKXWBRBE-UHFFFAOYSA-N 452.514 5.475 5 1 JKBF CCCCCc1nc(-c2cnc(NCCCOCCC)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174059 YWFPLBCLHMVULS-UHFFFAOYSA-N 467.570 5.977 5 1 JKBF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586937527 QDEMFCGZJVPXHN-IBGZPJMESA-N 491.642 5.049 5 1 JKBF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586983148 WINJAXPKQKPNSE-CYBMUJFWSA-N 481.188 6.369 5 1 JKBF COc1cc2c3c(c1)O[C@H](c1c(OC(=O)c4cccc([N+](=O)[O-])c4)ccc4ccccc14)[C@@H](C2)C3=O 587431933 IFYSQCLSUGENMR-IDISGSTGSA-N 481.460 5.465 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2=O 587471730 MTIUDKIOUBUMMP-JOCHJYFZSA-N 453.491 6.250 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 587550790 YNCHYTXORGPIID-OZXSUGGESA-N 489.867 6.449 5 1 JKBF O=C(c1c(-c2ccc(I)cc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587645488 BQBLPJUBHFWASD-UHFFFAOYSA-N 460.149 5.093 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CCS[C@@H]3C3CCCCC3)c2c1 1857637601 BYTYWSFGGQWCLY-HHHXNRCGSA-N 498.092 6.146 5 1 JKBF COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc([N+](=O)[O-])cc12 13588145 XKTFIRAURSDPJW-UHFFFAOYSA-N 492.531 6.485 5 1 JKBF CCCCCOc1ccc2c3cc[n+]4nc(CC)c(CC)cc4c3n(C(=O)OC(C)(C)C)c2c1 26579702 QQZNBZYOAYDYGV-UHFFFAOYSA-N 462.614 6.405 5 1 JKBF CCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 82147625 HWMUKJKEXNPZSL-JHOJWFKBSA-N 451.571 5.064 5 1 JKBF CCc1cnc(-c2cnc(NCCc3ccccc3OC)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174871 CZRBKVSTQOQQRR-UHFFFAOYSA-N 461.547 5.401 5 1 JKBF COc1cc([C@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1O 84709199 WPAJSOSVEBPLGT-HXUWFJFHSA-N 472.457 5.438 5 1 JKBF O=C(Nc1ccccc1)N1CCN(Cc2cccc(Oc3cc4ccccc4c4ccccc34)c2)CC1 200260985 LKMDMRKBURTLPM-UHFFFAOYSA-N 487.603 7.135 5 1 JKBF CC[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](Oc1cc2ccccc2c2ccccc12)c1ccnc2ccc(O)cc12 299813157 OVOHVXCZSNSNOD-MSRVXUKKSA-N 488.631 7.487 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587129281 WEDNISKGPNILGV-UHFFFAOYSA-N 451.252 5.962 5 1 JKBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Sc3ccccn3)c([N+](=O)[O-])c1)(c1ccccn1)O2 587409170 GZGDQWZPXMDXRP-SANMLTNESA-N 484.537 5.336 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 587572854 AAQVHQIIEFQGNR-WIOPSUGQSA-N 459.410 5.175 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)N1 587700025 UFNOPQKFGDPNJY-VERVWZFWSA-N 491.744 6.566 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(=O)O)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587745860 IKAXOCMLEHENAM-ZAMGYDSWSA-N 485.309 5.021 5 1 JKBF C[C@H](c1ccc(-c2ccccc2)c(F)c1)c1nnc2n1N=C(c1ccc([N+](=O)[O-])cc1)CS2 653687985 FXMVIIWLYDEFQV-OAHLLOKOSA-N 459.506 5.502 5 1 JKBF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 82148394 DBLCKTBFCVBBCL-HXOBKFHXSA-N 493.995 5.668 5 1 JKBF CCc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587575350 JKSJDVZUZMPNJO-ZEQKJWHPSA-N 457.438 5.361 5 1 JKBF C[N+](C)(CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)Cc1cccc(Cl)c1 40812404 WBVZEYNUVZZXEK-UHFFFAOYSA-N 478.003 7.628 5 1 JKBF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2C1 587034009 LKCKCLWINSXDPE-UHFFFAOYSA-N 457.559 5.681 5 1 JKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587058061 ZZIBCYLRFSQGHR-JOCHJYFZSA-N 478.940 5.083 5 1 JKBF CCn1cc([N+](=O)[O-])cc1[C@@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 587684537 RGQGLWWKYXTKFU-ABKXIKBNSA-N 499.595 5.466 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1 587846531 USCCDKIRHMPSIF-WHEQGISXSA-N 479.415 6.545 5 1 JKBF COc1c(O)cc2oc3c(C/C=C(\C)CCC=C(C)C)c(O)cc(O)c3c(=O)c2c1CCC(C)(C)O 1857567900 CYDYQULRHNUYDI-LICLKQGHSA-N 496.600 6.010 5 1 JKBF COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCCCC2)cc([N+](=O)[O-])c1O 1151673 WBOGXTWEMFARII-HSZRJFAPSA-N 498.576 6.019 5 1 JKBF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@@H]1/C=C/c1ccccc1[N+](=O)[O-] 27523556 FHFKIZWPIXKTAT-XCUGMSHPSA-N 462.502 5.479 5 1 JKBF CN(CCCCCCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1ccc(Cl)cc1 28640401 MPTMPRNBEUZKIR-UHFFFAOYSA-N 464.005 7.061 5 1 JKBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82216892 NEWRXLZCRONKCQ-AEFFLSMTSA-N 463.538 5.216 5 1 JKBF COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587409251 HJXNXRKAEGQRJV-NRFANRHFSA-N 466.515 5.360 5 1 JKBF O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 587501149 ANBQMFHIEQMXCN-QHCPKHFHSA-N 474.479 5.959 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 587573443 BUYBTWAQJMXQMF-SHQCIBLASA-N 469.449 5.582 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 587751122 KTZFIGSDXIDHIC-GKVSMKOHSA-N 483.381 6.297 5 1 JKBF Cc1cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@@H]2CCCCN2)cc([C@@H](C)O)c1 29465057 JALKFUONYGFTTA-QAPCUYQASA-N 485.968 5.442 5 1 JKBF COc1ccc(Nc2cncc(-c3cc4c(cnc5cc(OC)c(OC)cc54)c(N)n3)c2)cc1 45259635 QFULRUKOKBRSMC-UHFFFAOYSA-N 453.502 5.197 5 1 JKBF CCN(Cc1ccccc1)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82216993 BMJLKTWNGFOPFA-UHFFFAOYSA-N 459.550 5.459 5 1 JKBF O[C@H](C[C@@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(Br)ccc12 169338867 CNQDJSRIJDOHSD-HRAATJIYSA-N 452.314 6.340 5 1 JKBF Brc1ccc(COc2ccccc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 586999082 VAJYGWHDQFOEMZ-UHFFFAOYSA-N 481.353 6.668 5 1 JKBF COC(=O)C1=C(C)NC(C)=C(c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)[C@@H]1c1cccc(Cl)c1Cl 587055634 LXGZLGPKCKGONH-FQEVSTJZSA-N 487.343 5.651 5 1 JKBF CC[C@@]1(CSc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587369587 LLMDPCZWEJNUNE-VWNXMTODSA-N 453.491 5.740 5 1 JKBF O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587513970 WHIJBVPWAATOSC-AREMUKBSSA-N 465.509 6.033 5 1 JKBF CC[C@H](C)c1ccc2[nH]c(C)c([C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]3C(=O)Oc4ccccc4C3=O)c2c1 587640614 BQUHXUSHESOJTK-AAIKVBOUSA-N 482.536 6.448 5 1 JKBF Oc1nc2cc3ccccc3cc2cc1[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817505 NXASEUZBWJZXAJ-GDLZYMKVSA-N 471.560 6.389 5 1 JKBF COc1ccc(Nc2ncnc3c2[C@H](c2cccc([N+](=O)[O-])c2)c2c(c(=O)oc4ccccc24)O3)cc1 1772586023 CMRHSGURNXHEBS-OAQYLSRUSA-N 494.463 5.529 5 1 JKBF COc1ccc(N=c2c(OC)ccc3c4ccc5c6c(cc7c5c4n(cc2-3)CC7)OCO6)cc1 1857537946 XKWZYAMIYSQAHY-UHFFFAOYSA-N 450.494 5.434 5 1 JKBF COc1ccc(CN(C)CCCCCCCOc2ccc3c(=O)c4ccccc4oc3c2)cc1 28642204 LARYSHBOMUVFBF-UHFFFAOYSA-N 459.586 6.416 5 1 JKBF O=C(Cc1cccc2ccccc12)Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)s1 299825945 DDRVTSKVTAYRLL-UHFFFAOYSA-N 482.521 6.240 5 1 JKBF O=[N+]([O-])c1ccc(C(c2c[nH]c3ccc([N+](=O)[O-])cc23)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 299836071 YJHYFPFCEXOBNP-UHFFFAOYSA-N 457.402 5.554 5 1 JKBF CCCCCOc1cc2nc(-c3ccc(NCCOC)c([N+](=O)[O-])c3)[nH]c2cc1Br 587261668 FKJQTPDGWGEKJW-UHFFFAOYSA-N 477.359 5.528 5 1 JKBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1nc4ccccc4s1)[C@@H](C2)C3=O 587454348 WGZVXZRYSJVJDG-HJPURHCSSA-N 476.535 5.853 5 1 JKBF O=C1C[C@@H](c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c2)Oc2c1ccc1c2CCCC1 587530810 HKXXTBJRWYDNEE-VWLOTQADSA-N 477.538 5.154 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)N1 587697726 TVYSYJFNKUBGSU-GIPWTMENSA-N 464.722 5.564 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1 587743453 ARHMNPUSKPIYLI-DMZKTXOQSA-N 457.299 5.912 5 1 JKBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(N2CCCCC2)ccc1[N+](=O)[O-] 587862511 BSKIJXOTHNCMFV-UHFFFAOYSA-N 474.439 5.165 5 1 JKBF Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@@H]2CC[C@@H](C)CN2)c1 29479740 DEJKUVXSAZOXDV-KDOFPFPSSA-N 469.969 5.943 5 1 JKBF c1ccc2cc3cc4cc5cc6cc7cc8cc9ccccc9cc8cc7cc6cc5cc4cc3cc2c1 64622655 UIFXPOUSHBMMEG-UHFFFAOYSA-N 478.594 10.912 5 1 JKBF in-vitro CC[C@@H](C)Nc1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2cccc([N+](=O)[O-])c2)n1 82136108 KNUJPWCCYDMMLT-CQSZACIVSA-N 473.455 5.211 5 1 JKBF C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)/C=C/c5ccccc5[N+](=O)[O-])CCC[C@@]4(C)[C@@H]3CC1)C2 474602248 AUMKKAXCTFXKEP-OMSZHITNSA-N 463.618 7.120 5 1 JKBF CCCCCOc1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2cc1Br 587136043 APNQYEZXXXJFAG-UHFFFAOYSA-N 479.350 5.887 5 1 JKBF O=C1c2ccc(O)cc2O[C@@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587339066 DORCBGWSMXFTCP-DGPALRBDSA-N 497.522 6.717 5 1 JKBF O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)[C@H]1c1ccc(F)cc1 587354388 QKJJEAAWWYYYJC-UZNNEEJFSA-N 498.553 8.019 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1Cl 587542311 INKZAQXZFIUITF-XUZZJYLKSA-N 462.845 5.447 5 1 JKBF CCN1C(=O)[C@@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc21 587649124 QLZSRYKZQCXDJV-NDEPHWFRSA-N 469.541 5.643 5 1 JKBF COc1cc2c(cc1OC)C[N@+]1(Cc3ccccc3)CCCc3cc(OC)c(OC)cc3[C@@H]1C2 1857556501 DZQXUDWCCIDAFO-SETSBSEESA-N 460.594 5.482 5 1 JKBF COc1cc2nc3c(/C=C\c4cc(OC)c(OC)c(OC)c4)ccc(OC)c3nc2cc1OC 40979426 JNUKZQIVMPKGTM-FPLPWBNLSA-N 462.502 5.005 5 1 JKBF O=Cc1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2 96914189 GVZCFIYVNGIZBC-UHFFFAOYSA-N 490.566 7.802 5 1 JKBF CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)C(F)(F)F 169309374 ZJKRNOYDZUGUON-QFIPXVFZSA-N 490.390 5.064 5 1 JKBF Cc1ccc(-c2csc3ncnc(SCc4nc5cc6nc7ccccc7nc6cc5[nH]4)c23)cc1 587038196 MTXMOGRWVGEXCT-UHFFFAOYSA-N 490.617 6.932 5 1 JKBF CCCCCOc1cc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2cc1Br 587260683 ADCKATYPMIERTO-UHFFFAOYSA-N 464.316 5.487 5 1 JKBF O=C1C[C@H](c2cc([N+](=O)[O-])ccc2Oc2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587508425 OVAPWAQHNROHRH-XMMPIXPASA-N 483.442 6.991 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 587748585 ABOXUEQBRMITGE-RULNZOCKSA-N 483.293 5.001 5 1 JKBF COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCCC2)cc([N+](=O)[O-])c1O 20109661 PPZNPUHMGRRFJK-QFIPXVFZSA-N 470.522 5.383 5 1 JKBF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@@H]2CCCC[C@H]21 586962250 WBQGDEGLPDMAKP-ZCXSQJBPSA-N 483.597 5.354 5 1 JKBF Cc1c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980454 ZUJGQJIOAMDGNV-UHFFFAOYSA-N 495.049 5.870 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)cccc4[nH]3)cc2)nc1C(F)(F)F 587119425 VWLSTPDLGVEOOP-UHFFFAOYSA-N 466.217 5.164 5 1 JKBF CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccc3c(c1)oc(=O)c1ccccc13)CC2=O 587491791 PSEZUVSEILVOJV-OLRZCDJHSA-N 458.510 5.796 5 1 JKBF COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c([N+](=O)[O-])c1 587574359 FTPYXUWIIYESFT-DHLKQENFSA-N 459.410 5.272 5 1 JKBF COc1cc2c(cc1OC)[C@](C)(COc1ccc3c(c1)oc(=O)c1ccccc13)N(C)[C@@H](C)C2 962568915 LRGLPFKUHOLQDC-HPGBDJQBSA-N 459.542 5.134 5 1 JKBF O=C(C[C@]1(c2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1)Nc1ccc([N+](=O)[O-])cc1 962706782 ONQBWEJYRPUOQC-CUNXSJBXSA-N 491.588 5.370 5 1 JKBF Cn1nc(C(F)(F)F)cc1-c1ccc(C[C@@H](O)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 1857753467 KDXHAEBKKQBDPC-JOCHJYFZSA-N 468.435 5.352 5 1 JKBF COc1cc(/C=C\c2ccc(OC)c(O[C@@H](C)c3ccc([N+](=O)[O-])s3)c2O)cc(OC)c1OC 1911585824 TZKMIJYOAVGVOK-AFNCTOJWSA-N 487.530 5.707 5 1 JKBF CCN(CC)CCC[C@H](C)Nc1cc(/C=C\c2ccc([N+](=O)[O-])cc2)nc2cc(OC)ccc12 64245790 LJBAIPFUPVEHGJ-DBBZSVRUSA-N 462.594 6.244 5 1 JKBF O=C(O[C@H]1C[N+]2(Cc3nnc(-c4ccccc4)o3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1 103278242 YBUGOMSORKYASS-LAAOYOPBSA-N 474.625 5.616 5 1 JKBF COc1c(OC(C)=O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 169345083 FTTGIOHJZUEULL-UHFFFAOYSA-N 452.503 5.309 5 1 JKBF CCCC[C@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 474602108 AIKNDCYBVNXHND-QFIPXVFZSA-N 451.479 5.103 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1)CC2=O 587464346 OLEZHQOTULNNPZ-JOCHJYFZSA-N 478.467 5.738 5 1 JKBF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3ccccc3c2[N+](=O)[O-])N1C(=O)c1ccccc1 963451371 VJJAYOHOPLHPQO-IGKIAQTJSA-N 491.503 5.470 5 1 JKBF CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 29401623 MLORPVDQFWDMDN-ZEQRLZLVSA-N 493.560 6.646 5 1 JKBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135437 YDLIYUIHTUODFF-RTWAWAEBSA-N 487.604 5.666 5 1 JKBF O=C(Nc1ccccc1)N1CC[C@@H](CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84672132 GTVODJKJZCFONR-IBGZPJMESA-N 485.009 5.866 5 1 JKBF O=C(Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)s1)c1ccccc1Cl 299825999 DNEPYQHVZXHRPE-UHFFFAOYSA-N 452.879 5.811 5 1 JKBF CC(C)Cn1c(SCc2nc3cncc([N+](=O)[O-])c3[nH]2)nnc1-c1ccc(Cl)cc1Cl 586964772 DHQIZMQEONVWHS-UHFFFAOYSA-N 478.365 5.380 5 1 JKBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587048560 JZVUPDNPQCIVAE-UHFFFAOYSA-N 486.963 5.623 5 1 JKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)cc1 587271316 BRUULDRCYHJVTD-UHFFFAOYSA-N 494.223 6.592 5 1 JKBF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc([N+](=O)[O-])cc1 587511170 FECGRFRCRCCRCG-AREMUKBSSA-N 459.498 5.768 5 1 JKBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])c(C)c2)o1 587872495 YQQMDPHLGKTIEY-UHFFFAOYSA-N 465.437 5.165 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c(oc5ccccc54)c(NCCNCCO)c3c2)cc1 1857754978 SXUROYWTQZTASK-VOTSOKGWSA-N 469.610 6.020 5 1 JKBF O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3cccc([N+](=O)[O-])c3)ccc12 14946802 OLLLPKCZZWSPEN-UHFFFAOYSA-N 496.544 6.635 5 1 JKBF O=C(Nc1ccccc1)Nc1ccc2c(c1)NC(=O)/C2=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 102091799 IKRIMJSHNGHORJ-PXLXIMEGSA-N 466.453 5.992 5 1 JKBF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)cc2)CC1 586881900 WVISTPCOHQEJNJ-WKILWMFISA-N 456.384 7.365 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)ccc1Sc1nc2ccccc2s1 587036939 BQJMXJYMAVQUTM-UHFFFAOYSA-N 473.461 6.313 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 587068613 WCDWXCOXQXFTEY-UHFFFAOYSA-N 484.697 6.000 5 1 JKBF C[C@@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344631 XHKXOTCQEOHASX-IAPPQJPRSA-N 485.467 6.506 5 1 JKBF COc1cc(C(=O)Oc2ccccc2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] 587507929 DJJHSKQIRXFAMD-MUUNZHRXSA-N 487.508 5.582 5 1 JKBF O=C1C[C@@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587510870 YAHHPJCPZMQFGJ-RUZDIDTESA-N 451.881 6.175 5 1 JKBF Cc1cc(-c2ccc(/C=C3/SC(=O)N(c4ccc(C(=O)O)cc4)C3=O)o2)c([N+](=O)[O-])cc1C 1857582681 UACAOFPCDDPKNB-RGVLZGJSSA-N 464.455 5.411 5 1 JKBF COc1cc(C(=O)c2cn(-c3ccc(F)cc3)cc2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 1857617660 ZLXGMBMWCSZERO-UHFFFAOYSA-N 476.460 5.448 5 1 JKBF O=[N+]([O-])c1cc([N+](=O)[O-])c2nc(-c3ccccc3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1 40864209 NUQJDIJEMIQYKK-UHFFFAOYSA-N 456.245 6.164 5 1 JKBF CC1CCN(C(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2cccc([N+](=O)[O-])c2)CC1 82135567 JBNHHCDQHXFDLU-UHFFFAOYSA-N 499.493 5.555 5 1 JKBF O=C(NCC1CCCCC1)c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82147809 MUDZBMWPVGENIZ-UHFFFAOYSA-N 451.571 5.354 5 1 JKBF CS(=O)(=O)c1ccc(-c2csc(-c3ccc(-c4ccccc4[N+](=O)[O-])c(C(=O)O)c3)n2)cc1 205009109 CVINBASQEVEALR-UHFFFAOYSA-N 480.523 5.154 5 1 JKBF O=C(Oc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 299864951 SHEWNBIWPAUXFV-UHFFFAOYSA-N 464.783 5.739 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1[N+](=O)[O-] 587074676 CHFOYDQNOTWDGZ-RVDMUPIBSA-N 497.898 6.735 5 1 JKBF COc1cccc(-c2cc(Cc3ccc(OC(F)(F)F)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587358567 DDOXFYMIVMHPOP-UHFFFAOYSA-N 494.425 7.054 5 1 JKBF O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1[N+](=O)[O-] 587575874 LDXLDBGJJRVYCX-ZEQKJWHPSA-N 483.432 5.369 5 1 JKBF O=C(O)CCC[C@@]1(c2cc3ccccc3c3ccccc23)NCCc2cccc(-c3ccccc3)c21 962668986 OSUPBZKVOPXYKN-XIFFEERXSA-N 471.600 7.304 5 1 JKBF COc1ccc2c(ccn2CCCCCCCCOC(=O)Cc2ccc([N+](C)(C)C)cc2)c1 27074008 UAAXJGQUUHGUAW-UHFFFAOYSA-N 451.631 5.973 5 1 JKBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)C1 82135558 HIIYPUTYBDKVSY-LFPKLNKRSA-N 491.636 5.653 5 1 JKBF O=[N+]([O-])c1cc(C(F)(F)F)cnc1Nc1c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c1[N+](=O)[O-] 103280258 NVXQTYHSPADZPX-UHFFFAOYSA-N 475.645 5.241 5 1 JKBF COc1c(O)cc2oc3cc4ccc5c(c4c(O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O5 238751880 LXYGNKDVOMJJTN-UHFFFAOYSA-N 458.510 6.212 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 587547802 UPTNSXFIRBVQSX-ZJSXRUAMSA-N 462.845 5.447 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc([N+](=O)[O-])c2)N1 587675880 BCEQFFQTCAEJQU-XLFHBGCDSA-N 458.125 5.057 5 1 JKBF CCc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587752891 ULLAQBPUAYGACM-MCMMXHMISA-N 459.315 5.478 5 1 JKBF CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174206 RHYQUQSQMCEDOY-VGOFRKELSA-N 463.582 6.739 5 1 JKBF Cc1ccc(CNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82224595 LLAJRXUISSXFNW-VIRUWPMXSA-N 489.576 5.366 5 1 JKBF COc1c(CC=C(C)C)c(O)c2c(=O)c3cc(O)ccc3oc2c1C/C=C(\C)CCC=C(C)C 139490533 JPADBONROBGKKV-YBFXNURJSA-N 462.586 7.110 5 1 JKBF O=C1C[C@@H](Cc2nc3c4ccccc4c4ccccc4c3[nH]2)c2c(Br)cccc2O1 587001950 BTIRKCZQSUWMFH-CQSZACIVSA-N 457.327 6.267 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccc3c(oc(=O)c4ccccc43)c1C)CC2=O 587485742 JTYDRHSXQWNLPZ-SFNQZPIRSA-N 472.537 6.104 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587732285 JJJAYWAJTXVIMW-NNWYNNILSA-N 485.328 6.127 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1 587751120 KTZFIGSDXIDHIC-CRICUBBOSA-N 483.381 6.297 5 1 JKBF CCc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587752893 ULLAQBPUAYGACM-XMHCIUCPSA-N 459.315 5.478 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)N1 587844729 MCDPRACEMIVLSK-DMZKTXOQSA-N 473.367 6.271 5 1 JKBF CCN(CCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1N(C)C 1772590492 MFGGPEGAWRYLDZ-UHFFFAOYSA-N 476.642 5.867 5 1 JKBF CC1(C)C=Cc2cc(OCc3cccc([N+](=O)[O-])c3)c(OCc3cccc([N+](=O)[O-])c3)cc2O1 1772652271 FVXBNQHNVPNKRJ-UHFFFAOYSA-N 462.458 5.845 5 1 JKBF COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC2CCCCC2)c([N+](=O)[O-])cc1OC 773385 CTEFABSZKQQGPY-UHFFFAOYSA-N 483.496 5.383 5 1 JKBF O=[N+]([O-])c1ccc(O[C@@H](CCN2CCN(c3noc4ccccc34)CC2)c2ccccc2)cc1 13530555 CAEVTCNGVAGFQK-DEOSSOPVSA-N 458.518 5.068 5 1 JKBF O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 38400974 IEOZVBDPTHRYGK-UHFFFAOYSA-N 455.518 5.172 5 1 JKBF in-vitro Cc1cc(CCC[N+]23CCC(CC2)[C@@H](OC(=O)[C@](C)(c2ccccc2)N2CCCCC2)C3)cc(C)n1 73160299 OSCMWRVJRBRUDD-ZMJBPPSBSA-N 490.712 5.185 5 1 JKBF COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)cc1 95577311 AAUNMCCIUSOUMN-UHFFFAOYSA-N 456.332 5.770 5 1 JKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(Br)ccc12 169338863 CNQDJSRIJDOHSD-KKSFZXQISA-N 452.314 6.340 5 1 JKBF CCCC[N+]1(C[C@@H]2c3ccccc3CCN2C(=O)[C@H]2CC(=O)c3ccc(Cl)cc32)CCCC1 209488530 BOXGXKNDLGLNAP-IZZNHLLZSA-N 466.045 5.547 5 1 JKBF COc1cc2cc(C(=O)C[C@@H]3CC[C@H](O)C[N@@+](C)(Cc4ccccc4)CC3)sc2cc1OC 253837973 ZFPAYSSATREUMU-SGXKSUMTSA-N 468.639 5.299 5 1 JKBF Brc1c(OCc2nc3c4ccccc4c4ccccc4c3[nH]2)ccc2ccccc12 587002555 WMBIABWBBZLKJJ-UHFFFAOYSA-N 453.339 7.364 5 1 JKBF COc1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C 587044758 QVNFYKGJZRYHMX-UHFFFAOYSA-N 454.708 5.597 5 1 JKBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586533 KNLMQEUDAWCUNO-FIPFOOKPSA-N 465.461 5.232 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Br)c2[N+](=O)[O-])N1 587675837 DFFPQWJLQYHEGS-XYZCENFISA-N 458.125 5.057 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)N1 587730421 FTVJOGOZCDBOII-XMHCIUCPSA-N 459.290 5.462 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 587748341 UQBRFWDEYYEYFX-OWJWWREXSA-N 498.352 5.303 5 1 JKBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 587870429 HYBXRTPKKOJLEL-UHFFFAOYSA-N 476.551 7.648 5 1 JKBF O=C(NCc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2480200 GEVMPBDWCCUJTD-UHFFFAOYSA-N 451.841 5.639 5 1 JKBF Cc1nc2c(ccc3ccccc32)c(-c2ccc3c(c2)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O 169352738 ILBUHYAVBSVXKM-MHZLTWQESA-N 455.554 6.629 5 1 JKBF O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 586950896 FRJFSNLBEOHDJS-UHFFFAOYSA-N 492.398 5.740 5 1 JKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587069184 CVVBRGWWSIWXAP-KYHWAXMYSA-N 457.404 8.542 5 1 JKBF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587091695 NLYRZCNECNJHFO-UHFFFAOYSA-N 463.341 5.681 5 1 JKBF O=C(O)c1cc(Br)cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c12 587272273 LWSGTGHIDODSRV-UHFFFAOYSA-N 454.236 5.391 5 1 JKBF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c1)CC2=O 587473334 SBVYPRBVJGNCPO-MHZLTWQESA-N 474.513 5.694 5 1 JKBF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Oc1nn(C)cc1[N+](=O)[O-] 587511199 FFNVAPZFMISTJL-JOCHJYFZSA-N 463.490 5.105 5 1 JKBF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587958171 BGPPMWIYVXABOD-UUQHCRCUSA-N 492.620 8.234 5 1 JKBF O=[N+]([O-])c1ccc(Sc2ncccn2)c([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962711722 MTCOQAQGMZYBLD-AOMKIAJQSA-N 468.579 5.128 5 1 JKBF O=c1nc(N2CC3(CCN(CC4CCCCC4)CC3)C2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857588106 WXGULWLRPPVLSA-UHFFFAOYSA-N 496.555 5.066 5 1 JKBF Oc1ccc2c(c1)sc1c3ccccc3n(Cc3ccc(OCCN4CCCCC4)cc3)c21 28521311 QOZYJHACMJBAJT-UHFFFAOYSA-N 456.611 6.628 5 1 JKBF C[N+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 73292423 VCNWWPPKTLBCIZ-JGQZTWHJSA-N 487.322 7.321 5 1 JKBF C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118933872 XOFUBFKYDOPJSX-ITLMGEBPSA-N 480.649 5.582 5 1 JKBF CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)c(Cl)cc2c2cc(Cl)c(Cl)cc12 169338453 NBIPKTDDGUOCGH-DEOSSOPVSA-N 487.298 8.542 5 1 JKBF CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]3[C@@H]2C1 299816802 SCFFICSANODMCT-GZEMEDCNSA-N 471.557 5.909 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586999091 VFBMGSYLLVWJHF-UXBLZVDNSA-N 489.123 6.427 5 1 JKBF CCCCN(Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587193102 SGASMNXNIBMGNA-UHFFFAOYSA-N 488.519 6.161 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])C(C)(C)OC2(C)C 587746753 LCWGSHOVVAGTAI-JNEKRMFASA-N 489.385 5.897 5 1 JKBF COc1ccccc1Nc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1Nc1cccc(Cl)c1 45317658 DUSQFTZRBAXWBQ-UHFFFAOYSA-N 466.841 5.595 5 1 JKBF Cc1oc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163672 UAJKVOFZWNYPLH-ROUUACIJSA-N 469.545 6.165 5 1 JKBF Cc1oc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174177 IMZUHRKSDMEWFA-SBUREZEXSA-N 469.545 6.673 5 1 JKBF Cc1cc(O)cc(O)c1-c1c(O)cc2oc3cc(=O)c(-c4c(C)cc(O)cc4O)c(C)c-3nc2c1C 165746494 VFUZPBURTIYOPG-UHFFFAOYSA-N 485.492 5.388 5 1 JKBF in-vitro Cc1c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980432 YXICFWNVEWIZIK-UHFFFAOYSA-N 450.598 5.761 5 1 JKBF O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NCc1ccc(C(=O)NCCc2ccccc2)cc1 1862852 VBUVMQUDSLWRPR-BMRADRMJSA-N 495.535 5.157 5 1 JKBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82150108 HINYHWACABNLEV-UHFFFAOYSA-N 459.550 5.457 5 1 JKBF COCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163462 LBNZFEHHFHXDIC-UHFFFAOYSA-N 477.546 5.299 5 1 JKBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1C/C=C(/C)CCC=C(C)C)C[C@H](C(C)(C)O)O4 238782507 FADVHPZQTZALCA-VXBLWCAWSA-N 494.584 5.676 5 1 JKBF Cc1cccc(-c2cc(-c3cc4c(ccc5ccccc54)oc3=O)nc(Cc3ccc(F)cc3)n2)c1 473137275 XRFHCTIXJWXAMJ-UHFFFAOYSA-N 472.519 7.109 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)cc2)nc1C(F)(F)F 587117988 IGUQPHVGZOTSRT-UHFFFAOYSA-N 471.317 5.300 5 1 JKBF CC(C)(C)OC(=O)N[C@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587239359 JOSFAPGRCVJGOR-UWMNEONRSA-N 473.577 5.214 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)N1 587695527 NWUNRMRRTKYDQL-PRWKNARSSA-N 464.722 5.564 5 1 JKBF Cc1ccc2[nH]c3ccccc3c(=Nc3ccc(NC(=S)Nc4ccc([N+](=O)[O-])cc4)cc3)c2c1 653762883 ZQMJIQWILGLZQC-UHFFFAOYSA-N 479.565 6.579 5 1 JKBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82135370 PVUCWRHXASDPDI-OYRHEFFESA-N 487.604 5.505 5 1 JKBF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135556 YJNAXHWWSWTTEO-ROUUACIJSA-N 451.571 5.162 5 1 JKBF CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136067 YRHYQPDMRTWOFH-BGYRXZFFSA-N 467.614 5.288 5 1 JKBF O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 84758080 CIYSDEMOSWTVMK-NVNXTCNLSA-N 489.329 5.862 5 1 JKBF Cc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cc5c(cc4[N+](=O)[O-])OCO5)C3=C(O)C2)cc1 104033882 KMMQVDYUERHVRQ-XGCWNURASA-N 469.497 6.261 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@@H]2CCCC[C@H]21 587025139 DUCWNXIHSHLMIB-AJHZIAPWSA-N 467.598 5.796 5 1 JKBF CCOC(=O)C[C@@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587501369 AIEVZDUEKHZGME-HSZRJFAPSA-N 478.328 5.594 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 587573755 XHLVBBUDNJSVSC-BVAGGSTKSA-N 457.413 5.345 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1 587844042 LRBWNQDRPCITKM-DMZKTXOQSA-N 479.415 6.545 5 1 JKBF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)N1 963186622 VHUPPWCTIBZFGA-IRLDBZIGSA-N 493.869 5.391 5 1 JKBF COc1ccccc1Sc1cc(Cl)cn2c([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)nc12 1857613587 RGSWKRURSHQRFT-UHFFFAOYSA-N 489.962 5.030 5 1 JKBF COc1ccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 1857748579 NXNMGQAIPQPWEJ-UHFFFAOYSA-N 483.524 5.420 5 1 JKBF COC(=O)CCCCC(=O)N=c1ccc2c3cccc4c3c(c3ccccc3n4C)n(C)c-2c1 377803797 QNFWLCTUIQTBEC-UHFFFAOYSA-N 453.542 5.089 5 1 JKBF Cc1ccc2c3c(cc(CC(=O)Nc4ccc(Cl)cc4[N+](=O)[O-])nc13)-c1ccccc1C2=O 586992113 DBNQJBNJHPRFHN-UHFFFAOYSA-N 457.873 5.497 5 1 JKBF CSc1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 587039622 ZPJDZTQZOGDHCV-UHFFFAOYSA-N 450.570 6.621 5 1 JKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc([N+](=O)[O-])c1 587135571 IAEWVYBEHANMBA-UHFFFAOYSA-N 460.690 6.669 5 1 JKBF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587229212 RXQVWWJANVUPJF-UHFFFAOYSA-N 496.321 5.123 5 1 JKBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@H]1CC(=O)N(c2cccc3c2CCCC3)C1 40767126 IZYRSDMGLHGGLX-DEOSSOPVSA-N 462.593 5.883 5 1 JKBF O=[N+]([O-])c1ccc(C2=NN[C@@H](c3ccc(OCc4csc(-c5ccccc5)n4)cc3)C2)cc1 299850197 BGBZINBFXCVTRB-XMMPIXPASA-N 456.527 5.736 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Cl)c3F)c(C)c2c1 587620225 SINGBQNLVSUEJF-UHFFFAOYSA-N 489.912 5.653 5 1 JKBF O=[N+]([O-])c1cccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccccc2)c1 587627764 JPINGPRDDMCBEU-UHFFFAOYSA-N 450.338 7.448 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 587751681 NNNQDKXVBFSCNO-RULNZOCKSA-N 483.293 5.001 5 1 JKBF CC(=O)OCCCc1ccc2c(c1)n(C)c1cc(CCCOC(C)=O)cc3c4ccccc4[n+](C)c2c31 13675628 VCAPWGWJIXWWPQ-UHFFFAOYSA-N 497.615 5.454 5 1 JKBF CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccc(OCc5ccccc5)cc4c3c(C)c12 28226724 HKOVEYITGDZXBW-UHFFFAOYSA-N 480.656 7.209 5 1 JKBF COc1ccc(-c2sc3ccccc3c2C(=O)c2cc(OC)c(O)c(OC)c2)c([N+](=O)[O-])c1 45353699 VLFUCUFRZQKCCC-UHFFFAOYSA-N 465.483 5.439 5 1 JKBF COc1ccc(NC(=O)Nc2ccc3c(c2)/C(=C\c2ccc(-c4cccc([N+](=O)[O-])c4)o2)C(=O)N3)cc1 53243804 KHYAGBUPIRSTQB-HZHRSRAPSA-N 496.479 6.000 5 1 JKBF Cc1ccc(CCNc2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82134928 GQMDQOAFZHWIPY-YADARESESA-N 473.577 5.323 5 1 JKBF O=[N+]([O-])c1cc2c(cc1[C@H]1Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C31)OCO2 103945397 HMFJBEIIVBFPCL-RKNYENMMSA-N 461.499 6.014 5 1 JKBF O=C(Nc1sc2c(c1-c1nc3cc4nc5ccccc5nc4cc3[nH]1)CCC2)c1ccccc1Cl 587031038 NVBPSNXLYCHWGD-UHFFFAOYSA-N 495.995 6.782 5 1 JKBF CCCCCOc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1Br 587152293 ZDWVHEFWXAATHL-UHFFFAOYSA-N 452.280 5.521 5 1 JKBF O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Oc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 587341094 IPRFFPFMOWZJGU-VPUSJEBWSA-N 469.424 5.848 5 1 JKBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCc1ccccc1 587575912 LHHXVEJWACYMHB-NAKRPHOHSA-N 499.475 5.591 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c2)N1 587726622 YKZAALMDMUCASR-KPWVOAKYSA-N 493.279 6.191 5 1 JKBF O=C(NC/C=C/C[N+]1([O-])CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1 28711323 HGHZRWWRCHMWQC-ONEGZZNKSA-N 497.426 5.176 5 1 JKBF CC(C)NC[C@@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1C(C)(C)C 169318848 PQVXKCQIOGNXOH-JJNABOQBSA-N 468.638 6.098 5 1 JKBF CC(C)Oc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cc1Br 587268898 CXBAZBUDGYIVTD-UHFFFAOYSA-N 487.354 5.041 5 1 JKBF CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645045 ILSBFLCSQNEJFD-LIJGZOPESA-N 474.567 9.003 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc([C@@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN34)co2)cc1 962643971 QSJTYTWLZOVTTF-BVAGGSTKSA-N 452.514 5.086 5 1 JKBF CCOC(=O)CCCCCC[C@@]1(c2ccc(OC)c([N+](=O)[O-])c2)c2ccc(F)cc2C[C@@H]2CCCN21 963104626 LYBQCEDFJBWMMN-NEKDWFFYSA-N 498.595 5.910 5 1 JKBF COc1oc([C@@H]2CC(C=C(C)C=C(C)CC(C)=Cc3ccc([N+](=O)[O-])cc3)=CO2)c(C)c(=O)c1C 2356821908 VDYKJNNKAHKFAL-VWLOTQADSA-N 477.557 6.905 5 1 JKBF O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)[C@H]3c4cc(Br)ccc4OC[C@H]23)c1 5823930 USKXNVQGGUMSLO-KNQAVFIVSA-N 450.292 5.332 5 1 JKBF COc1cc(O)c2c(=O)oc3cc(OCc4ccccc4)c(OCc4ccccc4)cc3c2c1 45347758 LRBJGXHSHSOQHD-UHFFFAOYSA-N 454.478 5.818 5 1 JKBF CC(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 102192328 RMTXRSKFJQIXGO-JIYPWYQOSA-N 466.753 10.988 5 1 JKBF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587033763 APSZGPOMHZXZQX-GOSISDBHSA-N 451.555 6.145 5 1 JKBF CCCCCOc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1Br 587093069 SWZVBCGXJIZUIO-UHFFFAOYSA-N 476.253 5.228 5 1 JKBF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1ccc(C(=O)OC)cc1[N+](=O)[O-])CC2=O 587472334 GTMHCLGFSDJEJQ-XMMPIXPASA-N 477.469 5.538 5 1 JKBF Cc1c(OC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc2c1oc(=O)c1ccccc12 587608817 MASZZEIFOIUTOD-SETSBSEESA-N 494.499 5.760 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)N1 587846536 USCCDKIRHMPSIF-XMHCIUCPSA-N 479.415 6.545 5 1 JKBF CSc1ccc(/C=C/c2ccc3nc4c(oc5ccccc54)c(NCCN4CCOCC4)c3c2)cc1 1857646557 GDVBDBQSLDSWGV-VOTSOKGWSA-N 495.648 6.771 5 1 JKBF CC(=O)C[C@@H](O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[C@@H](O)CC1(C)C 2356738294 IMAVGDVEEYAALY-XLJNKUFUSA-N 490.728 7.834 5 1 JKBF C[N+](C)(C)[C@H]1CCC[C@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1CCCCC1 28712528 UNKINHDOSMZFNA-LOSJGSFVSA-O 458.644 7.149 5 1 JKBF O=C(c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1 82149247 SQULSJUUGTWGOU-UHFFFAOYSA-N 485.466 5.309 5 1 JKBF CC(C)CC(=O)c1c(Nc2cc(Cl)ccc2Cl)nc2c(Cl)ccc([N+](=O)[O-])c2c1O 84604838 IJLIMUXMYOXWKC-UHFFFAOYSA-N 468.724 6.781 5 1 JKBF c1ccc2c(c1)ccc1c(CN3C[C@H]4CC[C@H](C3)N4Cc3cccc4c3ccc3ccccc34)cccc12 101417003 LWQZEQAHVYKQRP-LOYHVIPDSA-N 492.666 8.148 5 1 JKBF O=C(Nc1sc2c(c1-c1nc3cc(Cl)c([N+](=O)[O-])cc3[nH]1)CCC2)c1ccccc1Cl 587031597 TXMVYMNTRRDTTR-UHFFFAOYSA-N 473.341 6.247 5 1 JKBF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587122813 YJYCTNNSYOKOCZ-UHFFFAOYSA-N 467.201 5.656 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 587732279 JIJBGTDENIVFMQ-IPQOISQHSA-N 493.735 6.115 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 587753724 WNMYBOXFQXIWIK-RZFZLAGVSA-N 496.336 5.651 5 1 JKBF CC(C)CCCCCCCCCCCCCCCCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587957527 MPBFLOVDYRUJEP-UHFFFAOYSA-N 478.121 9.565 5 1 JKBF COc1cc([C@@]2(c3ccc(C)cc3)c3ccsc3CCN2Cc2cccnc2)cc([N+](=O)[O-])c1O 963015650 UXADSXSHPSFFHH-MHZLTWQESA-N 487.581 5.424 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 1857747956 DXMGYANIOHNCAR-UHFFFAOYSA-N 491.351 6.719 5 1 JKBF COc1cc2oc3c(C)c(OC)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC 71294304 MABUETXAZCIAOZ-UHFFFAOYSA-N 452.547 6.003 5 1 JKBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82150274 MUYIKDZZDRBLJX-NHCUHLMSSA-N 487.604 5.585 5 1 JKBF O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1ccc(Br)cc1)c1c[nH]c2ccccc12 299824187 GGCWWDDYMSNOIJ-YFHOEESVSA-N 481.306 5.063 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1[N+](=O)[O-] 587011317 NIYQDFUUBSPUSZ-UHFFFAOYSA-N 452.473 6.146 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc1Sc1nc2ccccc2s1 587038932 VFDKZVGTDNRMTO-UHFFFAOYSA-N 484.465 6.221 5 1 JKBF Cc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Br 587055868 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CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587576542 OXXAKPAIJJRQDM-ZHCXBKRASA-N 479.485 5.437 5 1 JKBF CC[N+](C)(CC)CCCOc1ccc2c(c1)C(=O)c1cc(OCCC[N+](C)(CC)CC)ccc1-2 27469280 UIIKODXSHKYVRC-UHFFFAOYSA-N 468.682 5.409 5 1 JKBF COc1c(CN(c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc2c1OC(C)(C)C=C2 72184002 NWCVQUUFCSEPNI-UHFFFAOYSA-N 480.542 5.183 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)nc1C(F)(F)F 587117940 HTMDKKLHOLXUKJ-UHFFFAOYSA-N 455.318 5.421 5 1 JKBF FC(F)(F)c1nn(CCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1Br 587118600 PXIOWNFUHLFAOI-UHFFFAOYSA-N 459.269 6.090 5 1 JKBF CC(C)OC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587744794 FQVXPSRLSWTNCC-RSUXAODGSA-N 491.357 5.281 5 1 JKBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587748062 SCSJSQILDOWOPG-MQJDWESPSA-N 461.287 5.389 5 1 JKBF COc1cc2c(cc1OC1CCCC1)C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N=C2c1ccccc1 1857594212 IMTDJROOIAERSI-DEOSSOPVSA-N 485.540 5.326 5 1 JKBF CO[C@@H]1[C@H](N(C)C)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)OC4 84462539 KNFANUJEOPLLIS-QNGCTEGKSA-N 481.552 5.123 5 1 JKBF CC(C)(C)OC(=O)N1CC[C@H](N(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84690227 UAOXQFGFWQUXFM-KRWDZBQOSA-N 451.976 5.321 5 1 JKBF O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2)cc2c1Nc1ccccc1O2 103299688 MPOJRBREJDVKHC-UHFFFAOYSA-N 462.281 5.007 5 1 JKBF CCCN(CCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)c(Cl)cc12 169337944 MMXFRGFJDMVYNG-QFIPXVFZSA-N 458.351 7.474 5 1 JKBF C[N@@+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1 253947057 KMLZVZXTJRRFSZ-HLADLETHSA-N 482.282 7.118 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1F 587037930 NUNUKXVXKKQWPQ-UHFFFAOYSA-N 467.463 5.946 5 1 JKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587269067 JTIABKKGAYCRPI-UHFFFAOYSA-N 471.233 5.399 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COc2ccc3c(c2)oc(=O)c2ccccc23)N1 587838443 BKGJAAFHQBJBGU-DLUDVSRJSA-N 482.349 5.676 5 1 JKBF Cc1cc2c(cc1F)[C@]1(CC[C@@H](c3ccccc3)C[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1)NCC2 962295258 CXFFUNZLUMNHTB-RAKYAITLSA-N 464.968 6.788 5 1 JKBF Cc1cccc2c1[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963914566 HVMURCLNPMYXTK-NLFFAJNJSA-N 492.528 5.889 5 1 JKBF COc1cc(O)ccc1-c1nnc(-c2ccc(-c3nnc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)o1 1857589125 SLXJUJCMXZQKCH-UHFFFAOYSA-N 473.470 5.212 5 1 JKBF O=[N+]([O-])c1cc([N+](=O)[O-])c(C(Br)=Cc2ccccc2)cc1C=Cc1ccccc1 2356837419 LYIOJFAVXFWPTG-UHFFFAOYSA-N 451.276 6.566 5 1 JKBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148852 AIGZTKYFSXTBKL-YRPNKDGESA-N 465.598 5.185 5 1 JKBF O=[N+]([O-])c1cccc(-c2nc(NCC3CCCCC3)ncc2-c2ncc(-c3ccccc3)s2)c1 82163528 ZFNMRBRXRJYUER-UHFFFAOYSA-N 471.586 6.835 5 1 JKBF FC(F)(F)c1cccc(-n2cc(CN3CCN(c4nc5ccccc5c5ccccc45)CC3)nn2)c1 103247841 BQQVBYFQOMFTTP-UHFFFAOYSA-N 488.517 5.310 5 1 JKBF O=[N+]([O-])c1cc2c(cc1[C@H]1Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C31)OCO2 104003293 OCBMHFGUCZLDLK-YHAMSUFESA-N 455.470 5.953 5 1 JKBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(OC(C)C)cc2[nH]1 586949583 ZPCGUZJAGOMCGX-UHFFFAOYSA-N 466.519 5.035 5 1 JKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)cc2)nc1C(F)(F)F 587119553 YEOBFHOAISVRLR-UHFFFAOYSA-N 456.211 5.709 5 1 JKBF C[C@@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579396 ZIGAEESHZCVRPD-OZXSUGGESA-N 460.486 5.168 5 1 JKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)N1 587691328 ARXQCUJYEDXTBO-YBTHPKLGSA-N 464.722 5.564 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)N1 587750946 KSITTYXXAQNLTQ-DMZKTXOQSA-N 457.299 5.912 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)N1 587841406 ATQHFSQTTSWDTK-XUSGNXJCSA-N 477.355 6.005 5 1 JKBF COc1ccc(Nc2cc(Oc3c(C)cc(Br)cc3C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 53313057 BZECQWAMTMGJEJ-UHFFFAOYSA-N 488.294 6.427 5 1 JKBF CCOP(=O)(OCC)[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccncc2)cc1 73197350 YVJUADXNQLNLEC-JOCHJYFZSA-N 498.501 6.643 5 1 JKBF COc1c(OC/C=C(\C)CO)cc2oc3cc(O)cc(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C 238761906 AZOVHLSPQFLBKM-ZYCAGONGSA-N 494.584 5.919 5 1 JKBF CS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1Cl 586925774 IWJKTEWLOZMQME-UHFFFAOYSA-N 487.765 5.233 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1[N+](=O)[O-] 587074674 CHFOYDQNOTWDGZ-PTNGSMBKSA-N 497.898 6.735 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1N1CCN(c3ccccc3)CC1)CC2=O 587472751 MFTHZUIKHLOQDJ-MHZLTWQESA-N 487.556 5.286 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 587542363 IWMBOTUMDJBRIH-QPPBQGQZSA-N 463.829 5.917 5 1 JKBF C[C@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576639 PBQBGBSSRAYOFD-SHQCIBLASA-N 469.449 5.970 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3cccc(Cl)c3)c2c1 587618178 NWTBCTFVVMDQHI-UHFFFAOYSA-N 499.932 5.078 5 1 JKBF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2c3ccccc3cc3ccccc23)N1 963165265 BKPFLSZQUUAYNS-GMAHTHKFSA-N 455.863 6.354 5 1 JKBF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1nn(-c2ccc([N+](=O)[O-])cc2)cc1CO 1772617812 UJWBKWSZZJCGRT-LMXVXWCUSA-N 489.616 5.590 5 1 JKBF CCOc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2C)cs1 8672321 IEKSKMKDIPFORQ-UHFFFAOYSA-N 481.559 5.878 5 3 JKBF CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4053073 GWYKITWEAWXSQX-UKILVPOCSA-N 493.947 5.098 5 1 JKBF Cc1ccc(SC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)O)[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1 36242464 KBYHRISSWBEZAH-PMPBWVOASA-N 486.590 5.710 5 1 JKBF O=[N+]([O-])c1c(Cl)c([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1Cl 103280160 HSZZWMHJKYIUHF-UHFFFAOYSA-N 476.538 5.529 5 1 JKBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587049112 OUIBRZABNSTDJC-VOTSOKGWSA-N 462.293 5.168 5 1 JKBF COCCN1C(=O)CC[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@H]1c1ccccc1Cl 587063684 YVAWCOJGQLRUNC-MRDQGFSESA-N 485.975 5.406 5 1 JKBF CCCCCOc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1Br 587268967 FQSHHMLMFPCRKN-UHFFFAOYSA-N 471.315 5.050 5 1 JKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)c1 587269483 DQLNXWXZWSQRKK-UHFFFAOYSA-N 463.213 5.981 5 1 JKBF COC(=O)c1ccc(Oc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587508921 GLHGISSJBKIEFO-RUZDIDTESA-N 473.481 5.759 5 1 JKBF Cc1c(Br)ccc([N+](=O)[O-])c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587672178 DOWBVDHDFORDRK-WNWIJWBNSA-N 458.125 5.191 5 1 JKBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 587869528 LSGXVPIDKBRZRK-UHFFFAOYSA-N 482.827 5.437 5 1 JKBF Cc1ncc([N+](=O)[O-])n1CCCCCOCc1c(-c2ccccc2)nc2sc3ccccc3n12 1857746542 MVNRMYUHIBTTQU-UHFFFAOYSA-N 475.574 6.016 5 1 JKBF O=[N+]([O-])c1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)ccc1Sc1nc2ccccc2s1 587038324 QSKRGUCDCOJFRK-UHFFFAOYSA-N 456.911 6.692 5 1 JKBF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c3ccccc3c3ccccc3c2[nH]1 587086750 LNBBPOBKNHZKSS-CCEZHUSRSA-N 483.402 7.900 5 1 JKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587261347 BGANGACWYJRGRK-VIFPVBQESA-N 491.344 5.860 5 1 JKBF CC(C)CCOc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br 587265544 VWDHFMIHBWCEGP-UHFFFAOYSA-N 463.288 5.158 5 1 JKBF C[C@@]1(c2ncc([N+](=O)[O-])cc2Br)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817797 QBGHCRJFQVCHIC-XMMPIXPASA-N 493.361 5.222 5 1 JKBF C(=C/c1cc(-c2ccc3ccccc3n2)nc2ccc3ccccc3c12)\c1ccc2ccccc2n1 13002313 MAWGSSMWTPIYKZ-NBVRZTHBSA-N 459.552 8.322 5 1 JKBF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C[C@@H]2CCCC[C@@H]21 587027951 UWNOIIDVHLYDPI-OWQGQXMQSA-N 489.395 5.370 5 1 JKBF O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341551 JUYYHMNJWFUFPP-LBNVMWSVSA-N 497.434 5.421 5 1 JKBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135081 QWMHFCSQWINQMN-SJLPKXTDSA-N 463.538 5.216 5 1 JKBF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82135779 IVPBWUWYUYYARS-IAGOWNOFSA-N 479.968 5.118 5 1 JKBF O=[N+]([O-])c1ccc([C@H](O)C[C@@H](O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 95785120 AVXZWYCDHOFEQY-FGZHOGPDSA-N 462.527 5.494 5 1 JKBF C[N@@+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](n1cc(Cn3c4ccccc4c4ccccc43)nn1)C2 584904954 DLTSAPZJTNDMKP-OYZUSPJKSA-N 476.648 5.990 5 1 JKBF in-vitro O=S(=O)(c1ccccc1)N1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@@H]2CCCC[C@@H]21 586961087 PGTCYFNJNCIINM-CNVLFFCLSA-N 481.621 6.564 5 1 JKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587072660 ULVHMAKYYIXVBG-HAIRLQBDSA-N 481.177 6.907 5 1 JKBF CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccc3c(oc(=O)c4ccccc43)c1C)CC2=O 587485733 JTYDRHSXQWNLPZ-ADKRDUOOSA-N 472.537 6.104 5 1 JKBF O=C(c1ccc(Cl)c(Cl)c1)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 587645105 VOKHADAPCFBXBI-UHFFFAOYSA-N 480.134 7.588 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)N1 587695489 JZTXMULEXJCMPC-WSVYEEACSA-N 495.732 5.945 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(ccc4ccccc43)oc2=O)N1 587838128 AKVNQWHHAFDAHP-YEBMWUKDSA-N 452.323 5.646 5 1 JKBF Cc1ccc2[nH]c3ccccc3c(=Nc3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c2c1 653768379 UYIYVUGIIXAKRQ-UHFFFAOYSA-N 484.537 5.571 5 1 JKBF O=[N+]([O-])c1cc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(F)cc1Br 962717908 WVESHIMILHCTCS-JEOXALJRSA-N 455.324 5.089 5 1 JKBF CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 43077627 ZPUIFOBXUIMYGP-YMVPHMABSA-N 482.691 5.737 5 1 JKBF CCN(Cc1cc(N)ccc1OC)C[C@H](O)c1cc2ccccc2c2cc(Br)ccc12 169339546 LUXYZAWLFXGOPB-VWLOTQADSA-N 479.418 5.902 5 1 JKBF Cc1ccc([C@@]2(c3ccc(Cl)c([N+](=O)[O-])c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587696343 SZXKYPVHGHJBHP-FATZIPQQSA-N 489.772 6.284 5 1 JKBF C[C@]1(c2cc([N+](=O)[O-])c(Sc3cccc(Cl)c3Cl)s2)NCCc2ccc(O)cc21 963341153 LWZACXKYLVIGIH-FQEVSTJZSA-N 467.399 6.229 5 1 JKBF Clc1ccc(/C=C/c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccc4ccccc4c23)cc1 8426891 CIOXBDFHBJODCS-JLHYYAGUSA-N 467.999 9.546 5 1 JKBF C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163504 IUZSUOOYAGIESH-VGOFRKELSA-N 471.586 6.833 5 1 JKBF CCCCC/C=C\C/C=C\CCCCCCC[C@@H](O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 535384751 SMJJEGJNWOWKIM-YVWPYOCPSA-O 468.699 5.644 5 1 JKBF in-vitro c1ccc(-c2csc(Nc3cccc(-c4nc5cc6nc7ccccc7nc6cc5[nH]4)c3)n2)nc1 587022230 WEKXXMFCIPCMCA-UHFFFAOYSA-N 471.549 6.588 5 1 JKBF Cc1cc2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc2cc1[N+](=O)[O-] 587088895 ULWQVSJWTJLPCW-KCTCVGQSSA-N 488.375 5.181 5 1 JKBF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C)CC2=O 587472372 IAFOOFYFZSPVKK-RUZDIDTESA-N 470.522 5.956 5 1 JKBF CCCc1c(O)ccc2c1O[C@H](c1cccc(Oc3ccc([N+](=O)[O-])cc3C(=O)OC)c1)CC2=O 587473572 XUVJZOGTCHHWPY-DEOSSOPVSA-N 477.469 5.538 5 1 JKBF CCOC(=O)C1CCN(c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])CC1 587509738 ISPACDLTEXOVQQ-NDEPHWFRSA-N 492.572 5.134 5 1 JKBF O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1[N+](=O)[O-] 587575872 LDXLDBGJJRVYCX-OZXSUGGESA-N 483.432 5.369 5 1 JKBF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1COc1ccc([N+](=O)[O-])cc1 587579111 YQGKQPKSWPJKAJ-NAKRPHOHSA-N 499.475 5.591 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587733458 LNRYASIBQMWCON-NPMABZOXSA-N 489.316 5.838 5 1 JKBF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ccc(Oc2ccc(Cl)c(C)c2)c([N+](=O)[O-])c1 963236905 YEWYGGDGTBHOJT-WINIVTDRSA-N 464.993 7.269 5 1 JKBF CCOC(=O)COc1cc2oc3cc4c(c(O)c3c(=O)c2c(CC=C(C)C)c1OC)C=CC(C)(C)O4 1857588731 ZPVZCTQAQOOJJN-UHFFFAOYSA-N 494.540 5.295 5 1 JKBF C[C@H]1C[C@]2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)C(=O)O1 73137797 DPNPWGOZTQVNEE-WRONEBCDSA-N 456.586 5.015 5 1 JKBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135076 QWMHFCSQWINQMN-FUHWJXTLSA-N 463.538 5.216 5 1 JKBF CCCCN(Cc1nc2cccc([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587192839 GHSIWXZTZHNZIW-UHFFFAOYSA-N 470.529 6.022 5 1 JKBF COc1ccc2c(CN3CCN(c4ccccc4Cl)CC3)cc3cc4c(cc3c2c1)OCO4 28706222 GMSZFOKWDDCIFQ-UHFFFAOYSA-N 460.961 5.706 5 1 JKBF COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OC(=O)c1ccccc1Cl 96937413 UWMQRCGXTKYYRH-UHFFFAOYSA-N 484.915 5.600 5 1 JKBF CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586995128 BSGLTSIUXZHWLA-CQSZACIVSA-N 493.333 5.051 5 1 JKBF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1cccc(Cl)c1 587072629 ZRALUFPWBSSNGJ-CQSZACIVSA-N 495.761 5.696 5 1 JKBF O=C(Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1cccc([N+](=O)[O-])c1 587578746 XJVQZGCUVLFNQJ-OZXSUGGESA-N 483.432 5.223 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SCc2ccco2)c([N+](=O)[O-])c1 587612358 JPYRSQFHXGDWKK-RDGATRHJSA-N 475.478 5.889 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@@H](c1ccc2c(c1)OCO2)CC(=O)N3 1857654065 VRTYBXDXWGMCSV-OAHLLOKOSA-N 487.508 5.230 5 1 JKBF COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC 773751 VBBSYJLCNCZGCR-UHFFFAOYSA-N 477.448 5.003 5 1 JKBF Cc1ccc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@@H]2CCCCN2)c(C)c1 29415699 YVLQUWQEJHKSBM-INIZCTEOSA-N 455.942 5.697 5 1 JKBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@H]1CC(=O)N(C23CC4CC(CC(C4)C2)C3)C1 40766875 KNYKYAAWWKOHFS-YSVJUVNZSA-N 466.625 5.769 5 1 JKBF CN(C)c1ccc2c(-c3ccc(C(=S)N4CCCCC4)s3)c3ccc(=[N+](C)C)cc-3sc2c1 40956217 JXTZWUHKOORUMQ-UHFFFAOYSA-N 492.759 5.994 5 1 JKBF O=[N+]([O-])c1c(Br)ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586960139 VMUSSHFHKKGNIC-LJAQVGFWSA-N 470.348 5.272 5 1 JKBF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)cs2)cc1 587013894 CWGIQDQPMNHJHI-UHFFFAOYSA-N 451.508 5.532 5 1 JKBF CC[C@H](C)n1ncc(I)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587180185 DRUNTJRJKQXLDF-ZDUSSCGKSA-N 466.326 6.308 5 1 JKBF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(C)ccc1[N+](=O)[O-] 587512607 ZRFURPBKSVDYBM-SANMLTNESA-N 473.525 6.076 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 587731873 LQGPXZFNEDABRO-IPQOISQHSA-N 475.289 6.051 5 1 JKBF COc1ccc2c(c1OC)[C@](C[C@H]1CCC[C@@H](C(=O)O)C1)(c1ccc([N+](=O)[O-])cc1)N(C)[C@@H](C)C2 962629833 QBEGOTWGUJOFBU-PHACRCORSA-N 482.577 5.013 5 1 JKBF COC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O 2356529612 MTDKWFMKYDMSLI-UHFFFAOYSA-N 474.641 7.703 5 1 JKBF C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1c(F)c(F)c(F)c(F)c1F 13812802 MXZQGLMNGTXBHA-UHFFFAOYSA-N 499.956 7.305 5 1 JKBF COc1cc(O)c(-c2c(O)cc(OC)c3c2ccc2cc(O)ccc23)c2ccc3cc(O)ccc3c12 15274407 CNLFNDMTGHNGIV-UHFFFAOYSA-N 478.500 6.806 5 1 JKBF biogenic,in-vitro O=C(C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 49803863 JEMHPFWVOVZKFL-HXUWFJFHSA-N 493.279 6.802 5 1 JKBF CCCCCc1nc(-c2cnc(NCc3ccccc3OC)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163832 KVAXVUOBODSBKA-UHFFFAOYSA-N 487.560 6.369 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)c(Cl)cc2c2cc(Cl)c(Cl)cc12 169338451 NBIPKTDDGUOCGH-XMMPIXPASA-N 487.298 8.542 5 1 JKBF Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587118742 ODYQUGDAEZVTGY-VIFPVBQESA-N 494.474 5.939 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1 587572962 UGZBKFLFUDTDCW-BVAGGSTKSA-N 489.480 6.294 5 1 JKBF CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587749844 ZTBWHFWFQBMHKN-UAGWRWDDSA-N 481.362 5.554 5 1 JKBF CC(C)CN(C)C(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1 82134949 ZLKJAZZRAGIPJL-UHFFFAOYSA-N 487.482 5.411 5 1 JKBF Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163542 SCKYNRXBTNZQTC-SNLNFDIBSA-N 463.607 6.275 5 1 JKBF CCCCCc1nc(-c2cnc(NCc3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174814 BLOQGPOAHPVIDB-UHFFFAOYSA-N 471.561 6.668 5 1 JKBF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](C(=O)NCC[N+](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118938405 HALONVGNZDGKLX-YPWWNGCPSA-O 499.848 7.466 5 1 JKBF O=C(O)c1ccc(-c2cc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)ccc2F)cc1F 587138270 GBVOWHMPBORMMS-UHFFFAOYSA-N 474.217 5.544 5 1 JKBF O=C(O)c1cc2[nH]c(COc3ccc(F)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587168778 MBGCZZBBJHNHTG-UHFFFAOYSA-N 496.450 5.563 5 1 JKBF CCCCCOc1cc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2cc1Br 587263738 ZWQHIBVIDLMAJF-UHFFFAOYSA-N 464.316 5.390 5 1 JKBF CCCOc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1Br 587269516 FGHNGRFXVCKPOG-UHFFFAOYSA-N 453.296 5.751 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 587575626 JUBNNEPHRNSHLQ-ZEQKJWHPSA-N 455.422 5.796 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)N1 587843162 HFSSSXPZUVTWHI-FATZIPQQSA-N 487.394 6.412 5 1 JKBF CCC[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(C)C 587956191 ZKAHHHKXVNPSMV-QGZVFWFLSA-N 470.525 6.385 5 1 JKBF COc1cc2cc(-c3nc4ncc(Br)cc4[nH]3)c3cc(OC)c(OC)cc3c2cc1OC 1857763868 CYYLBURYLPCEFO-UHFFFAOYSA-N 494.345 5.728 5 1 JKBF CCN(CC)CCCNc1ccccc1-c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 27720499 OKIYLIYNGUDJID-UHFFFAOYSA-N 460.578 5.587 5 1 JKBF CCCCCc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174608 MUTXNSNHEAMZNF-QZTJIDSGSA-N 463.582 6.230 5 1 JKBF CC(C)(C)NC[C@H](O)c1cc2ccc(Br)cc2c2cc(Br)ccc12 169339302 BJSJLHWUUBGOPR-IBGZPJMESA-N 451.202 5.940 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586961820 YBUQRQUSMMNUHC-GDLZYMKVSA-N 470.348 5.272 5 1 JKBF O=[N+]([O-])c1cc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2cc1F 586974608 WFSFKCFNVRGIAS-UHFFFAOYSA-N 483.568 6.878 5 1 JKBF O=[N+]([O-])c1cc(Br)cc2nc(COc3ccccc3C3SCCS3)[nH]c12 587041382 NDVWAWUAIRDHCT-UHFFFAOYSA-N 452.355 5.291 5 1 JKBF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc3nc4ccccc4nc3cc2[nH]1 587086879 NPURSQQWINWPPH-KHPPLWFESA-N 485.378 6.690 5 1 JKBF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587121967 HYBVTPYJHLFFMI-UHFFFAOYSA-N 454.817 6.122 5 1 JKBF COC(=O)c1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c(F)c1Nc1ccccc1 587139304 GWKVGYZEKOCHQN-UHFFFAOYSA-N 458.808 5.600 5 1 JKBF Cn1ccnc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325225 CWROOZMGVFJXKS-DHLKQENFSA-N 493.878 5.129 5 1 JKBF C[C@@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339602 UNTCVGDSSPVDFV-BDYUSTAISA-N 476.504 5.704 5 1 JKBF COC(=O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587510706 ZPMBWWCLNKCVDB-HHHXNRCGSA-N 491.927 5.823 5 1 JKBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C(F)(F)F)c2c1 587620035 PGBCFNCBOJBKTG-UHFFFAOYSA-N 491.447 5.571 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccco2)(c2cccc([N+](=O)[O-])c2)N1 587745240 GXEZJULLSOGPEQ-UORMETCESA-N 457.299 5.581 5 1 JKBF Cc1c(OC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc2c1oc(=O)c1ccccc12 587836974 CQKFTIPUIPLDIX-PTFIGZPYSA-N 496.376 5.985 5 1 JKBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587843161 HEXTTWDSHLSUOV-QKFKETGDSA-N 487.394 6.580 5 1 JKBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)N1 963187634 SHHYSHQLBWSPOD-DYESRHJHSA-N 479.842 5.001 5 1 JKBF COC(=O)Nc1ccc(Nc2nccc(-c3ccc(Oc4ccccc4[N+](=O)[O-])cc3)n2)cc1 1772583206 UJYWCPARMJUIRW-UHFFFAOYSA-N 457.446 5.766 5 1 JKBF COc1cc(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)cc2-c2ccccc2)cc(OC)c1OC 1857564788 MCDAVTOHHITQLT-UHFFFAOYSA-N 458.470 5.309 5 1 JKBF CC[C@H]1C[N@@+]2(O)CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1ccc(O)cc21 1911578232 DCDGNLWCZZPUMI-KNUZUNBXSA-O 492.640 5.017 5 1 JKBF C[N@+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@H](n1cc(Cn3c4ccccc4c4ccccc43)nn1)C2 584904952 DLTSAPZJTNDMKP-KOPYXUEFSA-N 476.648 5.990 5 1 JKBF in-vitro O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc3ccc(O)c1c23 586987012 IXWUZRXRVRGLOA-UHFFFAOYSA-N 460.445 6.519 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 587748913 BOYDOLJXPZMSJG-SHACYNPGSA-N 480.337 6.064 5 1 JKBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 587867404 YJOLBHAXQKBDDN-UHFFFAOYSA-N 495.866 6.432 5 1 JKBF COc1cc2oc3cc(OCCCCCCCN(C)Cc4ccccc4)ccc3c(=O)c2cc1OC 28641823 YXLAGEWUVMLQRD-UHFFFAOYSA-N 489.612 6.425 5 1 JKBF CCOC(=O)c1cc(-c2cccc(OC(=O)NC3CCCCC3)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 299868291 ZQEBDNZWBBHKIN-UHFFFAOYSA-N 478.505 5.045 5 1 JKBF O=C1COc2cc(Br)ccc2N1CCc1nc2c3ccccc3c3ccccc3c2[nH]1 587002116 IQRCQKUMXFNRTC-UHFFFAOYSA-N 472.342 5.600 5 1 JKBF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587019175 UQNXVXNVYIJAFB-UHFFFAOYSA-N 478.317 6.136 5 1 JKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)o1 587264201 DCZOIGAAJYDNMS-UHFFFAOYSA-N 490.313 6.740 5 1 JKBF Nc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587341266 YDPBWJVUEGJGMN-VPUSJEBWSA-N 470.456 5.324 5 1 JKBF COc1ccc2[nH]c3ccccc3c(=Nc3cccc(-c4nc5cccc(C(N)=O)c5[nH]4)c3)c2c1 1857629270 PXLJCKAFLFROHB-UHFFFAOYSA-N 459.509 5.204 5 1 JKBF O=C(Nc1cccc(Sc2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])c1)c1ccccc1 1911570435 HGAUZGRCYDCWPC-UHFFFAOYSA-N 498.516 5.928 5 1 JKBF O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 775214 NDFAFPZXYPCGFJ-QGZVFWFLSA-N 495.894 5.043 5 1 JKBF O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 72140918 QKMIUXGTOIHPPR-DHZHZOJOSA-N 490.317 5.696 5 1 JKBF COc1cc(OCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] 587262985 JYAYUIQAGWAEEV-UHFFFAOYSA-N 464.316 5.246 5 1 JKBF COc1cc2c3c(c1)O[C@H](c1c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc14)[C@@H](C2)C3=O 587433118 OCOBOXZHKKXSGE-IDISGSTGSA-N 454.482 5.404 5 1 JKBF CC(C)(C)OC(=O)NC1(c2ccc(-c3[nH]c4cc([N+](=O)[O-])ccc4c3-c3ccccc3)cc2)CCC1 587646507 DHPMPVHXVWJBPQ-UHFFFAOYSA-N 483.568 7.314 5 1 JKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](COc2ccc([N+](=O)[O-])cc2Cl)(C(C)(C)C)N1 587691475 BMQGHTJVKYHTBL-LAJNKCICSA-N 485.781 6.004 5 1 JKBF Cc1cc(OCc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)ccc1[N+](=O)[O-] 587746095 IZYDFOHAVSHFIM-WHEQGISXSA-N 475.314 5.600 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C)Oc2ccc3c(c2)oc(=O)c2ccccc23)N1 587840392 IVIWHQWOMMOEFE-HMPCPRATSA-N 496.376 6.065 5 1 JKBF CC(C)=CCC/C(C)=C/CC/C(=C/Cc1cc2oc(=O)c3c(O)ccc(O)c3c2cc1O)CO 1772636332 AWQYBQZCXFBGDV-LYCWIXAWSA-N 464.558 5.997 5 1 JKBF COc1ccc(CCNc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82148436 WCJWRSYIHVAMQQ-HOYKHHGWSA-N 489.576 5.024 5 1 JKBF CCCCCc1nc(-c2cnc(NCc3ccc(C)o3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174115 PXRSFFDYORWVNC-UHFFFAOYSA-N 461.522 6.261 5 1 JKBF O=[N+]([O-])c1ccc(-c2nc(NCCOc3ccccc3)ncc2-c2ncc(-c3ccccc3)s2)cc1 82174436 GWWIRUPVBPXIPG-UHFFFAOYSA-N 495.564 6.333 5 1 JKBF Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(F)cc4)c-3c/c2=N\C2CCOCC2)cn1 95572787 MVTHSHXVKXCVRQ-HMZBKAONSA-N 479.559 5.796 5 1 JKBF C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C 105176807 SCNVGYZCBUQNPT-MZTRBVECSA-N 463.582 5.161 5 1 JKBF O=C1c2ccccc2[C@@](O[C@@H]2CC[C@@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 140604758 RTMYOLAVEDNGOT-DRLORSAXSA-N 478.932 5.035 5 1 JKBF O[C@H](C[C@H]1CCCCN1)c1cc2cc(Cl)c(Cl)cc2c2cc(Br)ccc12 169337817 KXPAPJNOOXDWMT-SPLOXXLWSA-N 453.207 6.628 5 1 JKBF COc1cc2cc(C(=O)[C@@H]3CCC[N@+](C)(CCOc4ccccc4)CC3)sc2cc1OC 261165404 RUKXDNCEYNEPKG-WINIVTDRSA-N 454.612 5.427 5 1 JKBF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 586878190 DMGAZYKVFLXKBN-UHFFFAOYSA-N 450.292 5.748 5 1 JKBF COC(=O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587510712 ZPMBWWCLNKCVDB-MHZLTWQESA-N 491.927 5.823 5 1 JKBF O=[N+]([O-])c1cccc([C@@H]2C3=C(N=C4SC=C(c5ccc(Cl)cc5)N42)c2ccccc2SC3)c1 653887805 GUNKLUNEWRKVLO-XMMPIXPASA-N 490.009 7.223 5 1 JKBF O=C(NCCc1c[nH]c2ccccc12)c1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1 201459788 ANFBACFPFYWAMR-UHFFFAOYSA-N 451.935 5.853 5 3 JKBF O=[N+]([O-])c1ccc([C@@H]2N=C(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)S2)cc1 98082624 OZZHYVFHFWUAFW-IFMALSPDSA-N 450.470 5.826 5 1 JKBF CCCCN(CCCC)C[C@@H](O)c1cc2cc(SC)ccc2c2c(Cl)c(Cl)ccc12 169328057 LFZCQKSMMPWFHU-HSZRJFAPSA-N 464.502 7.957 5 1 JKBF COC(=O)c1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c(F)c1Nc1ccccc1 587047341 GVHFAIAIABLOPP-NTMALXAHSA-N 466.856 5.964 5 1 JKBF COC(=O)C1=C(C)NC(C)=C(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@H]1c1cccc(Cl)c1Cl 587055138 KEGYEJCPIWEVPH-IBGZPJMESA-N 491.306 5.482 5 1 JKBF O=[N+]([O-])c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 587077635 VMXOLQWODSAFHO-JQIJEIRASA-N 452.901 6.827 5 1 JKBF O=[N+]([O-])c1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1Cl 587164804 BBFJROVTFTVMPE-UHFFFAOYSA-N 462.872 5.601 5 1 JKBF O=[N+]([O-])c1cc2nc(-c3ccc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)[nH]c2cc1Cl 587171657 UBFDULMRZJYLKZ-UHFFFAOYSA-N 481.292 5.385 5 1 JKBF Nc1ccc(/C=C\c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 587251682 LODLSFHTMCMBRG-KMKOMSMNSA-N 489.487 5.598 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1 587743459 ARHMNPUSKPIYLI-MCMMXHMISA-N 457.299 5.912 5 1 JKBF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2ccc3ccc4cccc5ccc2c3c45)N1 962635069 OFERBDQTUZFGGT-NBGIEHNGSA-N 461.439 6.171 5 1 JKBF C[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 1772587108 OYDSTYBHWVDCGR-AWEZNQCLSA-N 495.898 5.311 5 1 JKBF CC(=CCc1c2c(c(O)c3c(=O)c4cc(O)ccc4oc13)C=CC(C)(C)O2)CCCC(C)(C)C 2356521122 KTSKXIXKPUDOCJ-UHFFFAOYSA-N 462.586 7.247 5 1 JKBF COc1cc(O)c(Cc2ccc(O)cc2)c2ccc3c(Cc4ccc(O)cc4)c(O)ccc3c12 13378064 GEUHSSNGWHSGHA-UHFFFAOYSA-N 452.506 6.006 5 1 JKBF biogenic,in-vitro CCN1CCC[C@@H](/N=c2\cc3n(-c4ccccc4)c4ccccc4nc-3cc2Nc2ccccc2)C1 27652481 IBIHBPUMQXVGGF-WZPUWYJRSA-N 473.624 6.259 5 1 JKBF CCc1cnc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163567 GYYBSFAWPSATCJ-UHFFFAOYSA-N 451.939 6.003 5 1 JKBF Cc1c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] 587098725 UCCSSDBZFIPBJM-UHFFFAOYSA-N 495.535 7.152 5 1 JKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587269079 KEZKNXRRXQKKPI-UHFFFAOYSA-N 471.233 5.399 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 587551869 KRLNTZWBWWFALC-BVAGGSTKSA-N 489.867 6.449 5 1 JKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 587748911 BOYDOLJXPZMSJG-JBEBIEQOSA-N 480.337 6.064 5 1 JKBF CN1CCc2c(Br)cccc2[C@H]1c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 963290124 UDGDQBNSARBJKY-VWLOTQADSA-N 476.374 5.938 5 1 JKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 587578693 WUOXVMJGXVFAPA-SHQCIBLASA-N 453.450 5.400 5 1 JKBF COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)[C@@H](C)O)N2c2ccc([N+](=O)[O-])cc2)cc1 653801327 RKSCFLCDNKHGGP-PUAOIOHZSA-N 462.477 5.142 5 1 JKBF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 963643489 ZVSJAMOGAHZTRB-SHACYNPGSA-N 493.610 5.997 5 1 JKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@@H]3c3ccc(C)cc3)c2c1 1857641962 KCGSXWFMDOFCFB-HHHXNRCGSA-N 492.044 5.857 5 1 JKBF O=c1c2ccc(Cl)cc2oc2c(CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)cccc12 5579227 CHQPFVHWSKGZMX-UHFFFAOYSA-N 497.985 5.469 5 1 JKBF CC(=O)[C@H]1O[C@]1(O)/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 13397684 YDOUJCMZGQTKDH-KTNRBRAQSA-N 488.712 8.199 5 1 JKBF endogenous,in-man O=[N+]([O-])c1ccc(N2CCCN(CC[C@H](O)c3csc4ccccc34)CC2)c(C(F)(F)F)c1 71294637 BOOMSWNMXVQXLL-NRFANRHFSA-N 479.524 5.464 5 1 JKBF C[C@H]1[C@@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C 82134500 WJVVSMDTSOVAKI-LFUSFCIXSA-N 491.636 5.845 5 1 JKBF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1 82147896 IXHPCPRKGFPKOP-AOMKIAJQSA-N 479.968 5.626 5 1 JKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(CCCO[C@@H]1CCCCO1)CC3 95580194 XQKOXJCDWXSLFF-GDLZYMKVSA-N 495.616 5.319 5 1 JKBF Cc1cc2c(Br)ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2o1 587004292 QWSUEOVSHURJPL-UHFFFAOYSA-N 451.074 5.718 5 1 JKBF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccc([N+](=O)[O-])cc1 587753571 VREVVEVBDIURQQ-JCQPUDPBSA-N 487.325 5.921 5 1 JKBF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2ccc3ccc4cccc5ccc2c3c45)N1 962635064 OFERBDQTUZFGGT-CJFMBICVSA-N 461.439 6.171 5 1 JKBF C[C@@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82174634 ZCMSORVYCKOYAE-QZTJIDSGSA-N 471.586 6.325 5 1 JKBF CCOC(=O)C1=C(C)N=C(c2ccccc2)/C(=C(/O)OCC)[C@H]1/C=C/c1ccc([N+](=O)[O-])cc1 169715058 QZZPOVSMSAXVDE-LUCFWDCXSA-N 462.502 5.370 5 1 JKBF O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3O)nc3ccc(O)c1c23 586986872 GJGJVQKUIXYTAY-UHFFFAOYSA-N 490.471 6.012 5 1 JKBF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2F)c1 587143562 ISTADJXPTZSKIZ-UHFFFAOYSA-N 464.456 5.839 5 1 JKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)cc2)cc1 587272604 WIKAEKCUGATOBF-UHFFFAOYSA-N 494.223 6.592 5 1 JKBF Cc1ccncc1[C@]1(c2cccc([N+](=O)[O-])c2)NC2(CC2)Cc2ccc(Br)cc21 961617279 UOIDANHCFLYZQH-HSZRJFAPSA-N 450.336 5.031 5 1 JKBF CN(C)C(=O)c1ccc2c(c1)[C@]1(NCC2)c2ccccc2CC[C@@H]1c1cc(Cl)c([N+](=O)[O-])cc1F 962933196 SIJDJRNELBUZSF-ZBLYBZFDSA-N 493.966 5.208 5 1 JKBF C[C@@H]1[C@@H](NC(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C 82216874 ZNUMGBWEBACCLN-UHVVYFEBSA-N 491.636 5.845 5 1 JKBF Nc1nc(-c2cc3c(ccc4ccccc43)nc2Cl)c2ccc3c4cc(Cl)ccc4[nH]c3c2n1 103300127 GUYBTWBPIRTFDW-UHFFFAOYSA-N 480.358 7.522 5 1 JKBF Cc1cc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2cc1[N+](=O)[O-] 587077857 YUCOATBKCIDZPD-GHRIWEEISA-N 466.928 7.135 5 1 JKBF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccc(C)c([N+](=O)[O-])c4)c(Cl)c1)[C@@H](C2)C3=O 587424316 YVIGOCASDSNJQJ-AFMDSPMNSA-N 479.916 5.807 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 587573361 BIKXDSYBOBVBHX-LITSAYRRSA-N 492.487 6.006 5 1 JKBF O=C(C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Nc1ccccc1 587574653 GEQBRZZKIZIQGR-LBNVMWSVSA-N 496.475 5.186 5 1 JKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)N1 587692977 BSNYKYLULMPKAD-FIKIJFGZSA-N 495.732 5.945 5 1 JKBF NS(=O)(=O)c1ccc(N2N=C(c3cccc(O)c3)C[C@H]2c2c3ccccc3cc3ccccc23)cc1 103183492 RHHRVNNBXZICLZ-NDEPHWFRSA-N 493.588 5.702 5 1 JKBF C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)ccc1C 209017432 YTIWDAUDJMCXOD-UHFFFAOYSA-N 482.543 6.187 5 1 JKBF COc1cc(C(=O)Oc2ccccc2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] 587507930 DJJHSKQIRXFAMD-NDEPHWFRSA-N 487.508 5.582 5 1 JKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 587576213 NIZMCTZHTGPZRG-JYFHCDHNSA-N 455.422 5.796 5 1 JKBF Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962648301 WUHLOULLBLJYQL-YZNIXAGQSA-N 476.580 5.216 5 1 JKBF