smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cc([N+](=O)[O-])cn1 1421982 KKDZVQAQUQQIHX-ZETCQYMHSA-N 362.695 3.663 5 50 FHBA COc1cc2c(cc1OC)CN(C/C=C/c1ccccc1[N+](=O)[O-])CC2 1226207 CCWIMBIGBIRCFQ-FNORWQNLSA-N 354.406 3.684 5 50 FHBA Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(Br)c1 947092 JFUQSKQTKYRRQP-UHFFFAOYSA-N 365.183 3.683 5 50 FHBA O=C1C[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)c2ccc3ccccc3c2N1 1190324 DBTRBNOGOBENDT-CQSZACIVSA-N 362.341 3.951 5 50 FHBA CCCCOc1cccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 2053679 JIDOOEHYZIAFQS-UHFFFAOYSA-N 373.434 3.901 5 50 FHBA COc1cc(C=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1Cl 2985628 BFFZXSKCDFTFKA-UHFFFAOYSA-N 351.742 3.527 5 50 FHBA Cc1cc(OC[C@H](O)CN(Cc2ccccc2)C(C)(C)C)ccc1[N+](=O)[O-] 771875 OYHKGTQGXDOFIT-GOSISDBHSA-N 372.465 3.944 5 50 FHBA O=C(CCC(=O)OCc1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl 1136171 KNCSPSWBEOIQKI-UHFFFAOYSA-N 362.769 3.710 5 50 FHBA COc1ccc(C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 1188897 AKKCYZLEYIOISX-UHFFFAOYSA-N 371.374 3.628 5 50 FHBA O=[N+]([O-])c1ccc(N2CCC3(CC2)NCCc2c3[nH]c3ccccc23)cc1 4051288 QBWNQQLMOFYOIJ-UHFFFAOYSA-N 362.433 3.718 5 50 FHBA O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccc([N+](=O)[O-])cc1 3124339 BYTLJZQCTWNAGY-UHFFFAOYSA-N 350.161 3.660 5 50 FHBA COC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 1097965 WFDVVEIJQHMVHI-UHFFFAOYSA-N 369.160 3.941 5 50 FHBA CCO[C@@H]1[C@@H](C)[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 1443866241 AVPZPMNBDUGQGY-JBBXEZCESA-N 356.378 3.997 5 50 FHBA CC(C)(C)NC[C@H](O)COc1ccc(C2CCCCC2)cc1[N+](=O)[O-] 5379763 QNXYMNIWMAGFBL-INIZCTEOSA-N 350.459 3.770 5 50 FHBA Cc1ccc([C@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1C 1054730 OFLNETGFNIZIGM-ZDUSSCGKSA-N 366.373 3.809 5 50 FHBA COc1ccc(Nc2nc(N3CCC(C)CC3)nc(C)c2[N+](=O)[O-])cc1 4918998 KQDAFBTVXOVYED-UHFFFAOYSA-N 357.414 3.682 5 50 FHBA CCOc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 9328383 VKSXFQPKUPLTKZ-UHFFFAOYSA-N 372.406 3.601 5 50 FHBA O=[N+]([O-])c1cc([N+](=O)[O-])c2cn(-c3ccc(OC(F)(F)F)cc3)nc2c1 3672591 IPZQQHGRHKQRST-UHFFFAOYSA-N 368.227 3.741 5 50 FHBA CSc1ccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 865190 MMPSNKSYGCQWBD-UHFFFAOYSA-N 357.479 3.635 5 50 FHBA CCC[C@H](C)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n[nH]1 470486754 MYQVQUWPNPUZEV-JTQLQIEISA-N 366.443 3.639 5 50 FHBA O=C(CSc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)Nc1ccc(F)cc1 2246466 OKIIQXLJYVBALX-UHFFFAOYSA-N 372.381 3.855 5 50 FHBA O=[N+]([O-])c1ccc([C@H](O)Cn2nc(-c3ccc(F)cc3)oc2=S)cc1 4528529 VCJDUAGBIWFOND-CQSZACIVSA-N 361.354 3.653 5 50 FHBA C[C@H](OC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 248266300 FBOVAJIMDPVRRU-TZQJONAQSA-N 357.366 3.685 5 50 FHBA O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 5101334 ONSCSZKVOYAVPW-RMKNXTFCSA-N 361.810 3.775 5 50 FHBA Cc1ccc([N+](=O)[O-])c(OCCOCCn2cnc3cc(C)c(C)cc32)c1 2880189 MKTSNNAULAKPOD-UHFFFAOYSA-N 369.421 3.965 5 50 FHBA CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4904213 ZBCSUCUGKWCXMA-HNNXBMFYSA-N 356.407 3.981 5 50 FHBA CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4853134 GGPJYWPIJOXZPK-UHFFFAOYSA-N 367.449 3.855 5 50 FHBA CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 13330071 RTXMVPXZCCVIJB-OAHLLOKOSA-N 354.815 3.678 5 50 FHBA Cc1cc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)ccc1[N+](=O)[O-] 1134654 MAVPFHMBRCZGKW-UHFFFAOYSA-N 359.407 3.767 5 50 FHBA Cc1cccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)c1C 800679 GKJZOOCEJFZDMJ-UHFFFAOYSA-N 368.393 3.919 5 50 FHBA CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 7342034 XYVXQYURIQQQQP-MRXNPFEDSA-N 372.421 3.596 5 50 FHBA CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O 100015190 VABCILAOYCMVPS-OAHLLOKOSA-N 353.330 3.518 5 50 FHBA world COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC 640266 RVBHVIRGZXRPRX-SFHVURJKSA-N 372.485 3.637 5 50 FHBA in-vitro CCOc1ccc([C@H]2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1OC 1069721 FIZMCCKJDIVIBC-GOSISDBHSA-N 357.362 3.854 5 50 FHBA CCCCC(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 4696326 FGPHSWKLWPNOKU-UHFFFAOYSA-N 371.393 3.984 5 50 FHBA CNC(=O)c1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 195068186 LJCJLUJVLUOVKW-UHFFFAOYSA-N 368.418 3.690 5 50 FHBA Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)Nc1ccc(F)c(F)c1 2796408 UNWHVSYSMHHASV-UHFFFAOYSA-N 372.331 3.679 5 50 FHBA CC(C)[C@H](COC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-])c1ccccc1 3136939 CIHMILYYXXTAAB-HNNXBMFYSA-N 357.362 3.890 5 50 FHBA Cc1c(Cl)cccc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 2867277 HYWLVQFHBSHOOO-UHFFFAOYSA-N 373.840 3.827 5 50 FHBA Cc1ccc(Cl)cc1NC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C 1429855 HKWHCZCKFYXSOU-UHFFFAOYSA-N 350.806 3.789 5 50 FHBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnnn1-c1ccccc1 827213 UQKWWEBDEOPKDB-UHFFFAOYSA-N 367.312 3.741 5 50 FHBA O=c1sc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc12 2546650 RLPPZCIQMGRORG-UHFFFAOYSA-N 361.360 3.624 5 50 FHBA COc1ccccc1-c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 1077045 CIBKUEFOUMUVRF-UHFFFAOYSA-N 356.407 3.691 5 50 FHBA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1c3ccccc3cc3ccccc13)C2 75940327 BEVKBJGSNCSSKV-MSOLQXFVSA-N 358.441 3.686 5 50 FHBA CCN(CC)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(C)c1 2857029 MOZNFCDXHVPBPK-UHFFFAOYSA-N 357.410 3.767 5 50 FHBA COc1cccc(/C=C/C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)c1OC 252441465 WVJHZWSGUPUPNC-NQKYMUPYSA-N 374.501 3.669 5 50 FHBA biogenic COc1cc(C=O)cc(Cl)c1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1163576 OVRFCOUGYJXSAM-UHFFFAOYSA-N 370.144 3.942 5 50 FHBA COc1ccc(CSc2nc(C)[nH]c2[N+](=O)[O-])cc1Br 5625747 RHKDGYATGLEILO-UHFFFAOYSA-N 358.217 3.690 5 50 FHBA O=C(/C=C/COc1ccccc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F 253432431 ZKKFWENKOQSXKP-QPJJXVBHSA-N 364.304 3.770 5 50 FHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1Br 943117 ZXZXOIOSAZJFDL-UHFFFAOYSA-N 365.183 3.683 5 50 FHBA Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 1200411 NRNVLCRDUTXAKI-UHFFFAOYSA-N 359.813 3.519 5 50 FHBA CCCCOC(=O)c1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1 3879041 VNUGUYUXBWUWFR-UHFFFAOYSA-N 356.338 3.832 5 50 FHBA NC(=O)c1cc([N+](=O)[O-])cc2c1C=Cc1cc(Br)ccc1O2 1432626 QSOGOXZCLSALIS-UHFFFAOYSA-N 361.151 3.732 5 50 FHBA COc1cc(C(=O)Nc2nc3c(C)cccc3s2)c([N+](=O)[O-])cc1OC 2865435 XIPFXGWQTAGGHI-UHFFFAOYSA-N 373.390 3.782 5 50 FHBA Cc1cc(Br)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 1159794 QBDAOAPABRQRJU-UHFFFAOYSA-N 365.183 3.683 5 50 FHBA COc1cc(C(=O)Nc2ccc(F)c(Cl)c2)c([N+](=O)[O-])cc1OC 1190017 YBZKKTGXKCHHGO-UHFFFAOYSA-N 354.721 3.657 5 50 FHBA O=C(CC12CC3CC(CC(C3)C1)C2)NCCNc1ccccc1[N+](=O)[O-] 4703636 JMGBJAJQAJAAFQ-UHFFFAOYSA-N 357.454 3.729 5 50 FHBA O=[N+]([O-])c1ccc(-c2cc(O)n(-c3ccccc3Br)n2)cc1 5649831 GBDUWVZUVPAMHT-UHFFFAOYSA-N 360.167 3.916 5 50 FHBA O=[N+]([O-])c1ccc(Sc2nc3c(c(C(F)(F)F)n2)CCCC3)nc1 818428 GVDKVBZFQSLZIK-UHFFFAOYSA-N 356.329 3.829 5 50 FHBA CC(C)c1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1 1175524 KVBXRLWRGCZIEE-UHFFFAOYSA-N 361.398 3.984 5 50 FHBA COC(=O)c1cc(NC(=O)c2oc3ccccc3c2C)cc([N+](=O)[O-])c1 118723798 IBSYZIMHBWEVKI-UHFFFAOYSA-N 354.318 3.688 5 50 FHBA CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 7342033 XYVXQYURIQQQQP-INIZCTEOSA-N 372.421 3.596 5 50 FHBA Cc1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)c(Br)c1 673871 IWEAUPPKTLWNMP-UHFFFAOYSA-N 366.167 3.650 5 50 FHBA CCc1cc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)coc2cc1OC(C)=O 1109126 HVPFHQZJVAHBAB-UHFFFAOYSA-N 369.329 3.981 5 50 FHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cn2nnc3ccccc32)cc1 1136596 YIUJPWIIECQQSW-UHFFFAOYSA-N 373.372 3.640 5 50 FHBA CC(=O)c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c(C)cc(=O)oc12 1170227 KNENXNINRKSGSX-UHFFFAOYSA-N 353.330 3.791 5 50 FHBA CCNC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 1182227 KVIVAJJULZSOMH-UHFFFAOYSA-N 373.434 3.537 5 50 FHBA COc1cc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC 4819777 WFTJXEQWANTPQJ-CMDGGOBGSA-N 372.377 3.581 5 50 FHBA CN(C)Cc1cccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c1 444860147 PTCAVSSIZXLMGS-UHFFFAOYSA-N 371.440 3.995 5 50 FHBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 17074342 CGEPJSWIGGGJFR-UHFFFAOYSA-N 360.801 3.602 5 50 FHBA COc1cccc(OC)c1OC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2156196 NCHAZWRDFJFHCS-UHFFFAOYSA-N 352.730 3.876 5 50 FHBA O=C(O)C[C@H](NC(=O)Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 2426288 AMBZEKLFQDJAIM-AWEZNQCLSA-N 363.757 3.586 5 50 FHBA Cc1nn(CCCC(=O)Nc2ccccc2C(F)(F)F)c(C)c1[N+](=O)[O-] 1429840 UEBNJKADIOYXIP-UHFFFAOYSA-N 370.331 3.846 5 50 FHBA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Nc1cccc([N+](=O)[O-])c1 252444225 VYYBAEJENLPVFA-IEBWSBKVSA-N 366.421 3.743 5 50 FHBA O=c1c2ccccc2nc(Cc2ccccc2)n1-c1cccc([N+](=O)[O-])c1 2978752 OUGYCDFPQAMUBC-UHFFFAOYSA-N 357.369 3.885 5 50 FHBA Cc1ccc(NC(=O)c2ccn(COc3ccccc3[N+](=O)[O-])n2)cc1C 2800766 VDHVMAWQMAWWDM-UHFFFAOYSA-N 366.377 3.697 5 50 FHBA O=c1c2cc3c(=O)n(C4CCCC4)ccc3nc2ccn1Cc1ccccc1 40398752 JVNJQOWGSGEHDR-UHFFFAOYSA-N 371.440 3.875 5 50 FHBA O=[N+]([O-])c1cc2c(cc1CN1CC=C(c3ccc(F)cc3)CC1)OCO2 4986954 DBDIRBJGUQJDQF-UHFFFAOYSA-N 356.353 3.752 5 50 FHBA COc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1 2860837 SDIVMSVENIHGNL-LLVKDONJSA-N 364.785 3.513 5 50 FHBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)cc1Cl 4740909 OOBDYIJHXAQPDY-UHFFFAOYSA-N 373.840 3.827 5 50 FHBA COc1ccccc1N1CC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2F)C1 461777694 NMKQNGFFZHBNNU-AWEZNQCLSA-N 359.401 3.989 5 50 FHBA Cc1nn(C)cc1[C@@H]1CC(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 6527425 DARCMLMRCFQCGY-FQEVSTJZSA-N 361.405 3.992 5 50 FHBA CN1CCCN(c2nc(C(F)(F)F)nc3ccc4ccccc4c23)CC1 241371238 MLMDUSBZYXNXPW-UHFFFAOYSA-N 360.383 3.944 5 50 FHBA Cc1cccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 4184130 JXBUBZWEJIPGTJ-UHFFFAOYSA-N 359.813 3.519 5 50 FHBA Cc1c(OCC(=O)NC2CCCC2)ccc2c1oc(=O)c1ccccc12 793102 YAZNSANLVBHLDS-UHFFFAOYSA-N 351.402 3.692 5 50 FHBA Cc1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1C 2759834 RBQLADRSFAQHAZ-UHFFFAOYSA-N 350.378 3.709 5 50 FHBA CSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 805188 MMPIDXIPABNAER-HNNXBMFYSA-N 367.390 3.672 5 50 FHBA O=C(COc1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 1140199 YLGGSQLANACRKH-UHFFFAOYSA-N 363.782 3.875 5 50 FHBA Cc1cc(=O)oc2cc(OCC(=O)c3cccc([N+](=O)[O-])c3)c(Cl)cc12 2854112 UURKGDOIKLPWIN-UHFFFAOYSA-N 373.748 3.925 5 50 FHBA CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCC2 835692 VXODXKQLDDALRK-UHFFFAOYSA-N 360.391 3.574 5 50 FHBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cnn2c(C(F)F)cc(C3CC3)nc12 6829122 UIBZPULSSMQQNK-UHFFFAOYSA-N 373.319 3.705 5 50 FHBA CCCCOc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 4148011 CVZBFXJDRZHTMC-UHFFFAOYSA-N 350.396 3.575 5 50 FHBA Cc1ccccc1OCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 1143058 YVPVIEQHTDSPTN-UHFFFAOYSA-N 370.434 3.903 5 50 FHBA O=C1O[C@H](Nc2cc(OCC(F)(F)F)cc([N+](=O)[O-])c2)c2ccccc21 2800533 MLLYFBGSBZJLJF-AWEZNQCLSA-N 368.267 3.817 5 50 FHBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Br)ccc1O 4014145 FUTVAINFFRUWFA-UHFFFAOYSA-N 371.574 3.969 5 50 FHBA C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CCC2=O 4769279 OUTYSJWUIGIGQH-HIONPOMWSA-N 360.366 3.634 5 50 FHBA O=[N+]([O-])c1cc(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)ccc1O 247324510 NBBNVPBSDZBGFS-YLJYHZDGSA-N 359.470 3.529 5 50 FHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4820706 TXEZNWDDUZUQII-LBPRGKRZSA-N 373.796 3.548 5 50 FHBA Cc1cc(C)cc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 5041409 WKKNXYDPALWPEU-UHFFFAOYSA-N 373.840 3.827 5 50 FHBA O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1cccc2ccccc12 4090610 BSDWKIZSAZPSJS-UHFFFAOYSA-N 351.387 3.875 5 50 FHBA Cc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1[N+](=O)[O-] 2759887 VWIBTVZVTRWLNP-UHFFFAOYSA-N 360.757 3.647 5 50 FHBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)n1 653876 SHCQXJYZKJDEEE-UHFFFAOYSA-N 371.422 3.804 5 50 FHBA CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 7342072 RIZLPHTZNIBLJK-QGZVFWFLSA-N 372.421 3.596 5 50 FHBA O=C(COc1ccc(/C=C\[N+](=O)[O-])cc1Cl)Nc1ccccc1F 5068932 VEODKYINWYEFJJ-FPLPWBNLSA-N 350.733 3.744 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccc(Cl)cc1 5029298 XSWFMBVIIKQWEJ-UHFFFAOYSA-N 352.799 3.988 5 50 FHBA COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])c(Br)cc1O 4770661 FKKXNIFEHSAGIZ-ONEGZZNKSA-N 355.144 3.538 5 50 FHBA O=[N+]([O-])c1cc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)ccc1O 247324501 NBBNVPBSDZBGFS-PXNSSMCTSA-N 359.470 3.529 5 50 FHBA CC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc12 727453 VRWKNSJDJXLRBY-UHFFFAOYSA-N 352.346 3.817 5 50 FHBA O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 52537675 GAEASSKGAXIANV-UHFFFAOYSA-N 373.840 3.643 5 50 FHBA Cc1c(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)oc2c(F)cccc12 225528675 LALIPWPHAQUMEF-UHFFFAOYSA-N 368.324 3.595 5 50 FHBA CC(C)(C)Cc1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 1005605 VQWYTFBEYXSHFS-UHFFFAOYSA-N 354.819 3.941 5 50 FHBA COCCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 2837853 SOCHWILCJZBULH-UHFFFAOYSA-N 370.434 3.792 5 50 FHBA O=C(c1cccc([N+](=O)[O-])c1)N1CCC(Nc2ccccc2Cl)CC1 4811025 DLVDUGKNMYRPJV-UHFFFAOYSA-N 359.813 3.965 5 50 FHBA CC1(C)CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@]2(CCCOC2)O1 408339130 OBROZULEFBHZAE-MRXNPFEDSA-N 374.359 3.778 5 50 FHBA O=C(Nc1nccs1)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 1163114 ORTDYYVAFCFUIY-UHFFFAOYSA-N 368.374 3.556 5 50 FHBA Cc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1C 1181357 WSFRRVSLORTGOO-UHFFFAOYSA-N 373.840 3.827 5 50 FHBA CCCN(Cc1ccccc1)C(=S)NC(=O)c1ccccc1[N+](=O)[O-] 2879378 QCRXBHUJRBXLDP-UHFFFAOYSA-N 357.435 3.522 5 50 FHBA Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 246088038 IKKJOMRHSOIOIX-BMGDILEWSA-N 358.438 3.598 5 50 FHBA COc1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 4668242 DNBUQRJDGBTTEP-UHFFFAOYSA-N 355.394 3.846 5 50 FHBA CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 5064662 RYRRZUGVJXCARV-UHFFFAOYSA-N 350.758 3.908 5 50 FHBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CNc1ccc(Cl)c(Cl)c1 820898 NURMITZOOLNZRL-UHFFFAOYSA-N 366.160 3.567 5 50 FHBA O=C(c1ccccc1[N+](=O)[O-])N1CCC(Nc2ccccc2Cl)CC1 4817063 BBATXXIWVDNHBZ-UHFFFAOYSA-N 359.813 3.965 5 50 FHBA CCSc1ccc(C(=O)NCCOc2ccc(C)cc2)cc1[N+](=O)[O-] 2999096 VJSRYCISQUWTHL-UHFFFAOYSA-N 360.435 3.824 5 50 FHBA CCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc1 4622093 LUGJEJNPJGZCKR-UHFFFAOYSA-N 373.434 3.819 5 50 FHBA O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccccc1[N+](=O)[O-] 4663549 LTCSEWPMMPABGP-JXMROGBWSA-N 361.810 3.775 5 50 FHBA O=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 100932683 MJJZUWHRZHPHST-CQSZACIVSA-N 362.794 3.672 5 50 FHBA COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 7057620 IVMIYEKMGZUIES-UHFFFAOYSA-N 364.423 3.702 5 50 FHBA O=[N+]([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)c(Cl)c1 239366962 AGYVXLJUYKLEFF-UHFFFAOYSA-N 373.217 3.653 5 50 FHBA COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 4036965 FJGXJQSXLDXIOL-FPYGCLRLSA-N 362.769 3.917 5 50 FHBA O=C(O)c1ccc2c(c1)nc(NCCc1cccc(F)c1)c1ncncc12 1875328607 BAABXZIJMLOGRY-UHFFFAOYSA-N 362.364 3.670 5 50 FHBA O=[N+]([O-])c1ccc([C@H](O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 1738466 OMTOHUADTUJUHA-CQSZACIVSA-N 361.354 3.610 5 50 FHBA Cc1ccc(NC(=O)COc2ccc(Br)cc2)c([N+](=O)[O-])c1 4817015 VPHLAFKCYWYRNE-UHFFFAOYSA-N 365.183 3.683 5 50 FHBA O=[N+]([O-])c1c(Br)cc(Br)cc1Br 4829198 PVRGPKACTCJCBF-UHFFFAOYSA-N 359.799 3.882 5 50 FHBA CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 4866135 HMRKKFKGEQSMCG-UHFFFAOYSA-N 355.394 3.638 5 50 FHBA CCCc1cc(C(=O)OC)c(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 685883 VNHYRQTXVMNIAE-UHFFFAOYSA-N 362.407 3.956 5 50 FHBA CCc1ccccc1NC(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1 2736324 VDEBFMJVPQMSRN-UHFFFAOYSA-N 364.405 3.963 5 50 FHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1F 2970494 ABIONFFOQRGFNG-UHFFFAOYSA-N 369.146 3.514 5 50 FHBA CC(C)(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccccc1 753782 FMEUATDWKJMGPJ-GOSISDBHSA-N 358.438 3.635 5 50 FHBA O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 1165176 QLUUBLYFIPOWKU-UHFFFAOYSA-N 354.145 3.941 5 50 FHBA O=C(CC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Br 1596922 KXRJXIUEFBIAJE-UHFFFAOYSA-N 363.167 3.569 5 50 FHBA Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12)CCC3 3904724 BNQXJJUAIXUXFD-UHFFFAOYSA-N 354.391 3.528 5 50 FHBA Cc1ccccc1-c1n[nH]c(SCC(=O)c2cccc([N+](=O)[O-])c2)n1 6974041 JCAWJQYOXAIVLY-UHFFFAOYSA-N 354.391 3.663 5 50 FHBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc(C)c1C 708127 XMKNOWGVIZOPFO-UHFFFAOYSA-N 368.798 3.965 5 50 FHBA Cc1cc(OCC(=O)Oc2ccccc2[N+](=O)[O-])ccc1Br 674843 NKWFHIZBISASKG-UHFFFAOYSA-N 366.167 3.650 5 50 FHBA Cc1cccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c1C 1180678 OMPCDXJIZDABTC-UHFFFAOYSA-N 373.840 3.827 5 50 FHBA Cc1nc(-c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)c2)n[nH]1 117622274 LRNSMGPWYORXMK-UHFFFAOYSA-N 371.784 3.523 5 50 FHBA COc1ccccc1-c1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)o1 1111206 GJSIFAQRYUBARN-UHFFFAOYSA-N 371.374 3.628 5 50 FHBA O=C(COC(=O)c1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 1170570 QOKZQUFJIOJVMG-UHFFFAOYSA-N 353.252 3.653 5 50 FHBA CCCN(C(=O)OCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 4800262 AOGDSFDLRZKORY-UHFFFAOYSA-N 365.264 3.895 5 50 FHBA Cc1cc(Oc2ncccc2[N+](=O)[O-])ccc1I 462092953 LKWRVDBTTJCOKS-UHFFFAOYSA-N 356.119 3.695 5 50 FHBA O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCC(F)(F)F 1150598 KFNKBMGRJNFBJD-UHFFFAOYSA-N 363.235 3.811 5 50 FHBA O=C(NCc1ccccc1Br)Nc1cccc([N+](=O)[O-])c1 17072649 ODXFVPOEOYLSMN-UHFFFAOYSA-N 350.172 3.679 5 50 FHBA Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)CCCOc1ccccc1 1783127 QDGQRAGXWGOMMU-UHFFFAOYSA-N 373.434 3.575 5 50 FHBA O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 4810667 BKOLAGRSWLPXPU-UHFFFAOYSA-N 367.405 3.910 5 50 FHBA O=c1c2ccccc2nc(/C=C/c2cccnc2)n1-c1ccccc1[N+](=O)[O-] 4859631 HCIQJECSPHDWRD-VAWYXSNFSA-N 370.368 3.859 5 50 FHBA COc1c(O)ccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)c1[N+](=O)[O-] 2890661 DANCBDZDVYEYIE-AWEZNQCLSA-N 364.357 3.936 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Cl)cc1Cl 4698750 MPOJMFAWRCJOMF-UHFFFAOYSA-N 371.176 3.928 5 50 FHBA O=C(C[C@@H](Cc1ccc(Cl)cc1)C(=O)O)Nc1ccc([N+](=O)[O-])cc1 4672823 YKHSFKYHHLUMCK-GFCCVEGCSA-N 362.769 3.520 5 50 FHBA Cc1ccc(N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 5067956 RIBKRDASHULDGK-UHFFFAOYSA-N 370.478 3.731 5 50 FHBA O=C(c1ccc2ccccc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3904044 AOONJHCDXLIAHH-UHFFFAOYSA-N 361.401 3.710 5 50 FHBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 4758640 PNECWWUOUHGWQG-UHFFFAOYSA-N 359.813 3.519 5 50 FHBA COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])c1 5358325 VFUBQTBBVMTKEU-UHFFFAOYSA-N 357.149 3.868 5 50 FHBA O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(COc2ccc(F)cc2)o1 4151168 FCBYQVCBWSWYCZ-UHFFFAOYSA-N 357.297 3.553 5 50 FHBA CC(C)(C)OC(=O)N1CCc2cc([N+](=O)[O-])c(Br)cc2C1 95495804 RVAPXPOTRYDTJS-UHFFFAOYSA-N 357.204 3.651 5 50 FHBA O=C1[C@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 226939526 ARYQMOWMQUHBMY-PBWTXFEYSA-N 364.401 3.777 5 50 FHBA Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 4881543 IYRVQURVJABFCA-UHFFFAOYSA-N 360.420 3.518 5 50 FHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(Cl)cc1 1179775 HTFQFPAABBAVBE-RUDMXATFSA-N 361.810 3.775 5 50 FHBA O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(Cl)ccc1[N+](=O)[O-] 2762618 VSPHANCORQJTOW-UHFFFAOYSA-N 374.759 3.884 5 50 FHBA Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccccc2)o1 2763514 JPVVWCSLPOTRCG-UHFFFAOYSA-N 360.757 3.647 5 50 FHBA O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 239274800 ARYQMOWMQUHBMY-RNIPGJKVSA-N 364.401 3.777 5 50 FHBA O=[N+]([O-])c1cc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)ccc1O 247324485 NBBNVPBSDZBGFS-FXAWDEMLSA-N 359.470 3.529 5 50 FHBA CCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O 2318136 UCNQZDQOMVVMPB-UHFFFAOYSA-N 370.317 3.671 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc2ccccc2c1 5092210 XGWXZFKHBFDYHJ-UHFFFAOYSA-N 352.346 3.774 5 50 FHBA CCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2c(C)cccc12 5672987 ARWMSGOHNNPKHU-UHFFFAOYSA-N 352.346 3.564 5 50 FHBA COC(=O)c1cc(C(=O)Nc2cccc(Cl)c2Cl)cc([N+](=O)[O-])c1 1097964 DNQSIBXGMBKJNE-UHFFFAOYSA-N 369.160 3.941 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4771223 OJIPYMPFGBRHMY-UHFFFAOYSA-N 366.717 3.809 5 50 FHBA CN(Cc1nccs1)[C@@H]1CC12CCN(Cc1ccccc1[N+](=O)[O-])CC2 377164392 HYMKHIUDENRQDB-QGZVFWFLSA-N 372.494 3.538 5 50 FHBA O=[N+]([O-])c1ccc(Sc2nccn2Cc2ccccc2)c([N+](=O)[O-])c1 17360583 CYDYZLAMHRNBAH-UHFFFAOYSA-N 356.363 3.899 5 50 FHBA O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cccc([N+](=O)[O-])c1 4964431 NWQVACJJGFJHAX-UHFFFAOYSA-N 366.127 3.518 5 50 FHBA COc1cc(CN2CC=C(c3ccc(F)cc3)CC2)cc([N+](=O)[O-])c1O 4986759 NNXLXPRDPFNKSS-UHFFFAOYSA-N 358.369 3.737 5 50 FHBA CSc1ccccc1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 689177 CYPDHIQGVYGFRJ-UHFFFAOYSA-N 368.418 3.814 5 50 FHBA Cc1nn(Cc2ccccc2C(=O)Nc2ccccc2F)c(C)c1[N+](=O)[O-] 2796471 SWQPLIBVKVLIHW-UHFFFAOYSA-N 368.368 3.848 5 50 FHBA Cc1nn(C(=O)c2cccnc2)c(C)c1Sc1ccccc1[N+](=O)[O-] 955230 OVURCAQVLGGLJJ-UHFFFAOYSA-N 354.391 3.643 5 50 FHBA COC(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 1097962 JDXBJRDRXFWWKZ-UHFFFAOYSA-N 369.160 3.941 5 50 FHBA COc1ccc([N+](=O)[O-])cc1NC(=S)NCc1ccc(Cl)cc1 1120637 SJMBGPHLRAPSGT-UHFFFAOYSA-N 351.815 3.743 5 50 FHBA O=Cc1ccc(Sc2nnc(COc3ccccc3)o2)c([N+](=O)[O-])c1 2870361 RUZITLFQYZZQRU-UHFFFAOYSA-N 357.347 3.521 5 50 FHBA CCO[C@@H]1[C@H](C)[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 1443866262 AVPZPMNBDUGQGY-NXOUGTEYSA-N 356.378 3.997 5 50 FHBA CN1CCN(c2ccc([N+](=O)[O-])c(NC3C4CC5CC(C4)CC3C5)c2)CC1 4676233 OQATUGFDPCQLBM-UHFFFAOYSA-N 370.497 3.583 5 50 FHBA Cc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)c(C)c1 1129548 BOICPEJWCLOVDG-UHFFFAOYSA-N 373.840 3.827 5 50 FHBA Cc1cc(F)ccc1NC(=O)c1ccccc1Cn1nc([N+](=O)[O-])cc1C 2796383 GJVHRWGSVUFUEW-UHFFFAOYSA-N 368.368 3.848 5 50 FHBA Cc1cc(OCC(=O)N2CCC[C@H](C)C2)cc2oc(=O)c3ccccc3c12 2843744 POMCGKVUZBVNHO-AWEZNQCLSA-N 365.429 3.892 5 50 FHBA O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1nccs1 865542 GUANZFILICPEMB-UHFFFAOYSA-N 367.342 3.644 5 50 FHBA COc1ccc(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1C 1056675 CJRLUYDXPMWLTD-UHFFFAOYSA-N 350.168 3.905 5 50 FHBA CC(C)(C)NC[C@@H](O)COc1ccc(C2CCCCC2)cc1[N+](=O)[O-] 2573109 QNXYMNIWMAGFBL-MRXNPFEDSA-N 350.459 3.770 5 50 FHBA COc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 4124966 YKAFUUAOPFLTBA-UHFFFAOYSA-N 355.394 3.846 5 50 FHBA Cc1cc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)ccc1[N+](=O)[O-] 1208248 XLTWLJZTRHFWAD-UHFFFAOYSA-N 373.372 3.889 5 50 FHBA Cc1c(Cl)cccc1NC(=O)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 1385536 GKBDWQMUBHZQQT-UHFFFAOYSA-N 356.769 3.995 5 50 FHBA CC(C)CC(=O)N[C@@H](Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 5230347 WKTJNSIJUZXEGL-GFCCVEGCSA-N 368.648 3.865 5 50 FHBA O=C(O)c1ccccc1C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5092829 ZPLIZVYEMQQCPU-UHFFFAOYSA-N 354.362 3.514 5 50 FHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2ccc(Cl)cc2s1 1143233 QHPRHQASTJLERX-UHFFFAOYSA-N 363.782 3.875 5 50 FHBA Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 4703629 VBLOFLASSYBWKA-UHFFFAOYSA-N 359.813 3.519 5 50 FHBA O=C1C=C(c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)c(Cl)c1 1192255 SETGMDOCZRBSST-UHFFFAOYSA-N 363.156 3.858 5 50 FHBA O=[N+]([O-])c1cc2c3nnc(O)c-3cn(-c3ccc(F)cc3)c2cc1Cl 2498122 SOQFJCFTWWWKHM-UHFFFAOYSA-N 358.716 3.932 5 50 FHBA O=C(COc1ccccc1[N+](=O)[O-])NC(c1ccccc1)c1ccccc1 947088 HMOXFAWUOSJYGY-UHFFFAOYSA-N 362.385 3.879 5 50 FHBA Cc1c([N+](=O)[O-])cc(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)cc1[N+](=O)[O-] 102723093 FNQFFVCHYAOWHD-SKLAPFLYSA-N 360.366 3.734 5 50 FHBA Cc1ccc(F)c(NC(=O)c2ccn(COc3ccccc3[N+](=O)[O-])n2)c1 2800284 RGONCHFCKIWZAU-UHFFFAOYSA-N 370.340 3.528 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(C)C)cc1 14256222 VDLFBNRGSNVJNO-UHFFFAOYSA-N 350.396 3.528 5 50 FHBA CSC[C@@H](Cc1cccs1)Nc1ncnc2cc([N+](=O)[O-])ccc12 2325862056 HVSBHZOGPMXUAU-LLVKDONJSA-N 360.464 3.986 5 50 FHBA O=[N+]([O-])c1ccc(S(=O)(=O)c2nc3ccccc3s2)c(Cl)c1 754602 LHGRVPKZXRERHS-UHFFFAOYSA-N 354.796 3.691 5 50 FHBA COc1cc(C(=O)Nc2cc(Cl)ccc2C)c([N+](=O)[O-])cc1OC 1218260 OAFHYBFGLUZKGC-UHFFFAOYSA-N 350.758 3.826 5 50 FHBA CCOc1ccc(NC(=O)c2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 4628649 WNDCWTYKUFCDKG-UHFFFAOYSA-N 350.758 3.908 5 50 FHBA O=[N+]([O-])c1cccc(/C=C/C2=CCN(C[C@H](O)c3ccccc3)CC2)c1 4007020 YRHJMYLPJDJXMF-GLCJEOIMSA-N 350.418 3.974 5 50 FHBA O=C(COc1ccc2ccccc2c1)OCC(=O)c1ccc([N+](=O)[O-])cc1 910538 DMZKJUWZHWJDBO-UHFFFAOYSA-N 365.341 3.553 5 50 FHBA C[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CCN1C(=O)c1ccccc1 4188698 LJMGFWJDFXHGMX-ZDUSSCGKSA-N 359.813 3.599 5 50 FHBA Cc1ccsc1[C@H]1CC(=O)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c21 4626315 FGVBFUKHXMIROS-LBPRGKRZSA-N 355.375 3.796 5 50 FHBA CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3cccc([N+](=O)[O-])c3)c12 2858537 RBSHQDUATKGRHW-UHFFFAOYSA-N 367.357 3.834 5 50 FHBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)CC1 17076714 JGMJYDOJTGOJMG-UHFFFAOYSA-N 374.828 3.598 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1c(C)cc(C)cc1Cl 4575333 ASRATBGIPKVTMV-UHFFFAOYSA-N 364.785 3.891 5 50 FHBA Nc1c([N+](=O)[O-])c(Nc2ccccc2)nc(Nc2ccccc2)c1[N+](=O)[O-] 19637739 UTGGOFIQPVPHMS-UHFFFAOYSA-N 366.337 3.967 5 50 FHBA O=[N+]([O-])c1ccccc1-c1ccc(NC(=S)NC[C@@H]2CCCO2)cc1 2777690 UWNALLYHXSQLBG-HNNXBMFYSA-N 357.435 3.727 5 50 FHBA CCC[C@@H]1CCCCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 170594633 KJCRCJQSXXMMPZ-OAHLLOKOSA-N 356.426 3.718 5 50 FHBA CCCOc1ccc([N+](=O)[O-])cc1/C=C1\N=C(c2ccccc2)OC1=O 2874353 SVGHODYBYHEGSZ-VBKFSLOCSA-N 352.346 3.728 5 50 FHBA O=C(Nc1ccccc1Cl)c1cc(Br)cc([N+](=O)[O-])c1O 16101899 ZYRAIVMXFXGTBJ-UHFFFAOYSA-N 371.574 3.969 5 50 FHBA C[C@@](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)(C1CC1)C(F)(F)F 471136333 JXMNNXYUEDAZIA-OAHLLOKOSA-N 357.332 3.630 5 50 FHBA Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 827198 CTRMQOKVUTVQDN-GFCCVEGCSA-N 373.796 3.548 5 50 FHBA C[C@@H]1N(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCOC1(C)C 225477568 FCZFLGRICSHOEU-AWEZNQCLSA-N 354.406 3.830 5 50 FHBA CN(C)Cc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 444850653 QAZHAWIREWJEKC-UHFFFAOYSA-N 371.440 3.995 5 50 FHBA CC(C)CNC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1134365 PZXUJOQRYLUMJV-ZHACJKMWSA-N 367.405 3.633 5 50 FHBA CC(C)CC(=O)N[C@H](Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 5230334 WKTJNSIJUZXEGL-LBPRGKRZSA-N 368.648 3.865 5 50 FHBA COc1ccc(Cl)cc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1188417 BAYIFUWKFGWICX-UHFFFAOYSA-N 366.757 3.526 5 50 FHBA O=[N+]([O-])c1cc2c(cc1CN1CCC3(C=Cc4ccccc43)CC1)OCO2 4983948 IBTKZJADASPGPF-UHFFFAOYSA-N 364.401 3.884 5 50 FHBA CCCN(C[C@H]1CCCCO1)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] 170622605 AJWMLVSTTNDXCW-MNDMWVCDSA-N 350.390 3.555 5 50 FHBA C[C@H]1CCCN(c2cc(N3CCC[C@H](C)C3)c3nonc3c2[N+](=O)[O-])C1 4020625 UVMSNKSWMRQCFR-STQMWFEESA-N 359.430 3.604 5 50 FHBA CCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 2064512 QFIUBTQMMHKRRK-UHFFFAOYSA-N 372.377 3.813 5 50 FHBA COc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)cc1Cl 799264 ZHFYQTQBWADFOL-UHFFFAOYSA-N 350.758 3.826 5 50 FHBA CCCC(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 4700230 OMQYFQXRDGCXBV-UHFFFAOYSA-N 357.366 3.594 5 50 FHBA O=[N+]([O-])c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1 19757805 IEUGPHVOVJEUDZ-UHFFFAOYSA-N 374.444 3.901 5 50 FHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCOC(=O)Nc1ccccc1 4794743 PTORWEIVCGBFPS-UHFFFAOYSA-N 372.381 3.616 5 50 FHBA O=[N+]([O-])c1ccc(CO[C@H]2C[C@@H]3[C@H]4[C@H]5[C@@H]6CC[C@@H]5[C@H]([C@H]63)[C@@H]24)c([N+](=O)[O-])c1 247342482 SSCFFSIWRCZBKK-IQGOUVLUSA-N 356.378 3.556 5 50 FHBA O=C(c1ccc(NCCC2=CCCCCC2)c([N+](=O)[O-])c1)N1CCOCC1 302184625 GVZRLGRQKFGECF-UHFFFAOYSA-N 373.453 3.760 5 50 FHBA Cc1ccc(NC(=O)CCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1C 1136231 XFHKOZOKQWMJKP-UHFFFAOYSA-N 356.378 3.674 5 50 FHBA Cc1noc(C)c1Cc1noc(-c2ccc([N+](=O)[O-])c(OC(C)C)c2)n1 420507689 YEZPSJOLYOBHSH-UHFFFAOYSA-N 358.354 3.628 5 50 FHBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] 1174324 MSPGINWDFMCYNC-UHFFFAOYSA-N 373.434 3.737 5 50 FHBA CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Cl 5103799 VSEVTUYMDLZEJZ-UHFFFAOYSA-N 350.758 3.908 5 50 FHBA CC(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4703917 BFCVEIANUKEZQS-UHFFFAOYSA-N 353.422 3.681 5 50 FHBA CN(Cc1cccc2ccccc12)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 225538647 WVPXGBUGQLFERT-UHFFFAOYSA-N 360.373 3.621 5 50 FHBA O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1[N+](=O)[O-] 1157320 XQEUJVBUVFFFHR-UHFFFAOYSA-N 374.809 3.943 5 50 FHBA COc1cc(C)ccc1OCCOCCOc1ccc(C)cc1[N+](=O)[O-] 2985189 OVPASHKRYIHBAV-UHFFFAOYSA-N 361.394 3.695 5 50 FHBA COc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1C 55543342 BBXSGOSHOSKMCS-UHFFFAOYSA-N 355.438 3.542 5 50 FHBA Cc1ccc2nc(NC(=O)COc3cc(F)ccc3[N+](=O)[O-])sc2c1 999941 DRRLKMXEADPFIZ-UHFFFAOYSA-N 361.354 3.670 5 50 FHBA O=[N+]([O-])c1cc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)ccc1O 16677787 NBBNVPBSDZBGFS-XLIONFOSSA-N 359.470 3.529 5 50 FHBA COc1ccc(Cc2cnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)cc1 851444 FKZBYFCTDREYMV-UHFFFAOYSA-N 369.402 3.903 5 50 FHBA C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 230085502 ZUNKPEVBEFIOPG-QWHCGFSZSA-N 352.394 3.585 5 50 FHBA CCCN(C[C@@H]1CCCCO1)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] 170622603 AJWMLVSTTNDXCW-DYLHUKMJSA-N 350.390 3.555 5 50 FHBA Cc1ccsc1[C@@H]1CC(=O)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c21 4626314 FGVBFUKHXMIROS-GFCCVEGCSA-N 355.375 3.796 5 50 FHBA O=[N+]([O-])c1cc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)ccc1F 32919371 WEJFMEBFZALIOZ-UHFFFAOYSA-N 359.317 3.706 5 50 FHBA O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Cl 1120896 UGTGARHOUOMHHK-UHFFFAOYSA-N 354.145 3.941 5 50 FHBA O=[N+]([O-])c1cc2c(cc1CNc1ccc(Br)cc1)OCO2 851044 XRMVIYSHHKRXJV-UHFFFAOYSA-N 351.156 3.698 5 50 FHBA O=c1c2c3c(sc2[nH]c(=S)n1-c1cccc([N+](=O)[O-])c1)CCCC3 5714444 WPKFZNHNBBPQFD-UHFFFAOYSA-N 359.432 3.897 5 50 FHBA Cc1ccc(CC(=O)Nc2ccc3c(c2)[C@H](O)CCCC3)cc1[N+](=O)[O-] 1875267980 KRLQEOJYOHLMGW-LJQANCHMSA-N 354.406 3.844 5 50 FHBA O=C(NCCNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2n1 4558076 OFKTZQVKPLDTGH-UHFFFAOYSA-N 370.796 3.638 5 50 FHBA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]21 100186921 HGNVSTHRDNMEFZ-HOJOPBEUSA-N 358.781 3.506 5 50 FHBA O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccccn1 5043008 JJQLILIIKOAXTA-VAWYXSNFSA-N 370.368 3.859 5 50 FHBA CCOc1ccc(C(=O)CSc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 754321 NGQYDIBFWGXEGF-UHFFFAOYSA-N 357.391 3.845 5 50 FHBA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1 2970053 AYHURMLJLWKOIY-UHFFFAOYSA-N 373.372 3.889 5 50 FHBA O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)c1c(-c2ccccc2)[nH]c2ccccc12 131015441 SDGZYEZOHXRFAH-UHFFFAOYSA-N 373.368 3.788 5 50 FHBA COc1ccc2nc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])sc2c1 1129431 PHVFZUKSZXSFKZ-RMKNXTFCSA-N 355.375 3.865 5 50 FHBA CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-] 5315724 RSVPPPHXAASNOL-UHFFFAOYSA-N 350.297 3.730 5 50 FHBA biogenic,in-vitro CSc1ccc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 865271 CKPUPLKCQZOBHK-UHFFFAOYSA-N 357.479 3.635 5 50 FHBA Cc1nonc1OCC(C)(C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3906129 CBRGCPRORDALEW-UHFFFAOYSA-N 360.292 3.575 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 4647170 IYJFWPBQBHTSBY-NSHDSACASA-N 364.785 3.971 5 50 FHBA C[C@H]1N(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCOC1(C)C 225477599 FCZFLGRICSHOEU-CQSZACIVSA-N 354.406 3.830 5 50 FHBA O=[N+]([O-])c1cc(SC(F)(F)F)cc(I)c1O 94986264 PUQBJOXESRBJIE-UHFFFAOYSA-N 365.070 3.517 5 50 FHBA in-vitro O=C(O)C[C@@H](NC(=O)Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 2426289 AMBZEKLFQDJAIM-CQSZACIVSA-N 363.757 3.586 5 50 FHBA Cc1ccc(Cl)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1073127 VLBFGYZYBNFKKC-UHFFFAOYSA-N 358.737 3.915 5 50 FHBA CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1 4701143 XNHVSTQDEFLGAD-UHFFFAOYSA-N 359.407 3.510 5 50 FHBA CCCCn1c(=N)n(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 22146067 ZKUJUOJEPLLMDH-UHFFFAOYSA-N 352.394 3.513 5 50 FHBA CC(C)C(=O)Nc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1119878 UUNUPGPZMCMLPT-IZZDOVSWSA-N 353.378 3.841 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=S)NCCc1cccc(Cl)c1 5041449 RMLMZIHGUXTGIE-UHFFFAOYSA-N 365.842 3.786 5 50 FHBA CCNC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2 1160104 FLNYSFOZFUCFEC-UHFFFAOYSA-N 373.434 3.537 5 50 FHBA Cc1cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c2cccc(C)c2n1 1170975 ROJQNKHIIYUUAJ-UHFFFAOYSA-N 364.357 3.800 5 50 FHBA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccccc1[N+](=O)[O-] 1185474 IMNRJAXVSNLDJB-UHFFFAOYSA-N 373.372 3.889 5 50 FHBA Cc1ccc(NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)cc1F 2796396 YHNXJJNXZCREHK-UHFFFAOYSA-N 368.368 3.848 5 50 FHBA CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 17076208 ZNNXTWVOFDXTFL-QGZVFWFLSA-N 372.421 3.738 5 50 FHBA CCOc1ccc([C@H]2Cc3c(cc([N+](=O)[O-])cc3[N+](=O)[O-])N2C)cc1OC 4624027 FOVJVFZLJPJRJA-CQSZACIVSA-N 373.365 3.644 5 50 FHBA Cc1cccc(N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)c1C 1200448 NSZSPEHHVITIBI-DHZHZOJOSA-N 365.433 3.574 5 50 FHBA CCOC(=O)c1cc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)nc1C 1129043 SGFLHYWFWVQQAW-UHFFFAOYSA-N 368.349 3.500 5 50 FHBA CCCC(=O)N[C@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 2667179 CEJIZRUNPCIGNF-NSHDSACASA-N 354.621 3.619 5 50 FHBA COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC 2647430 HNLIUCLJICNUPE-UHFFFAOYSA-N 366.757 3.526 5 50 FHBA CCN(CC)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1 2853217 CGYNXPRVDYORIJ-UHFFFAOYSA-N 357.410 3.767 5 50 FHBA CN(CCOC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc([N+](=O)[O-])cc1 4602625 AUOJGAOQCMBVQJ-UHFFFAOYSA-N 358.438 3.652 5 50 FHBA O=C(CCSCc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccccc1 2665569 LXJPSKOBFDBSGH-UHFFFAOYSA-N 359.403 3.644 5 50 FHBA COc1cc(OC)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 1124408 HACZHBATQNYMTQ-UHFFFAOYSA-N 350.758 3.826 5 50 FHBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1ccc(Cl)cc1 4551568 VGUZJZDJISYOND-CYBMUJFWSA-N 359.813 3.599 5 50 FHBA COc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c([N+](=O)[O-])c1 4901906 JAPNDUYCRRPELW-UHFFFAOYSA-N 362.210 3.551 5 50 FHBA O=C(NCCNc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1Cl 5074160 DNGKTELGAJDBTA-UHFFFAOYSA-N 354.193 3.744 5 50 FHBA CC(C)(C)CC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 4367668 AEACWXAJDSPHJA-UHFFFAOYSA-N 374.260 3.607 5 50 FHBA O=c1c2ccccc2nc(SCc2cccc([N+](=O)[O-])c2)n1C1CC1 2802389 BPMRTKJQLJQZLA-UHFFFAOYSA-N 353.403 3.932 5 50 FHBA COc1ccc(Br)cc1C(=O)Nc1ccccc1[N+](=O)[O-] 4695559 XPEAEAOOIRATKB-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA Cc1c(C(=O)c2ccc3ccccc3c2)nnn1-c1ccc([N+](=O)[O-])cc1 5697244 IFQHKCPFKSZLAN-UHFFFAOYSA-N 358.357 3.868 5 50 FHBA C[C@@]1(c2ccccc2)CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 170626458 ZYWJRFGUNBJAQE-HXUWFJFHSA-N 354.406 3.554 5 50 FHBA C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1 731528231 CZCFPDPPHGVYGB-VIFPVBQESA-N 351.717 3.816 5 50 FHBA CC[C@]12CCC[N@+]3(C)CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]23 252460940 JIHIFNDXLSTZHZ-GRSYGWAWSA-O 353.486 3.590 5 50 FHBA biogenic COc1ccccc1NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2994393 RWMNABIHERJEFO-UHFFFAOYSA-N 370.283 3.640 5 50 FHBA O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c1 1895695 WKCLHXCUKAGDTK-UHFFFAOYSA-N 364.766 3.564 5 50 FHBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 4843249 RPOARCLBDXAKGJ-NSHDSACASA-N 364.785 3.971 5 50 FHBA O=[N+]([O-])c1ccc(/C(=C/c2ccc(Br)o2)[n+]2ccccc2)o1 25539256 QJVKDUZWGDPKJQ-BENRWUELSA-N 362.159 3.877 5 50 FHBA O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc(Cl)c1Cl 170615899 IPUOVLOSGFGXAO-UHFFFAOYSA-N 370.148 3.740 5 50 FHBA COc1cccc(OCCOCCOc2ccc([N+](=O)[O-])cc2Cl)c1 2985344 MAEUXDUNDIJNMM-UHFFFAOYSA-N 367.785 3.731 5 50 FHBA COc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1[N+](=O)[O-] 4842617 VXYNOBBGCGUNHQ-UHFFFAOYSA-N 352.799 3.988 5 50 FHBA O=C1OC(c2ccco2)=N/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1121516 IUVJVMRITNPLAB-GXDHUFHOSA-N 350.286 3.792 5 50 FHBA Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 3894035 CCTJEEFSPHDBFO-UHFFFAOYSA-N 359.813 3.519 5 50 FHBA CNc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1[N+](=O)[O-] 4116707 SFRYJBWGIITLBU-UHFFFAOYSA-N 362.389 3.879 5 50 FHBA COc1ccc(CCN(C)C/C=C/c2ccccc2[N+](=O)[O-])cc1OC 1226408 NGGVSRYVZQZRCT-SOFGYWHQSA-N 356.422 3.800 5 50 FHBA O=C(O)CCCn1c(-c2cccc([N+](=O)[O-])c2)nc(=S)c2c1CCCC2 938424 CXGMVOSNHPPNFK-UHFFFAOYSA-N 373.434 3.931 5 50 FHBA COC(=O)c1c(NC(=O)Cc2ccccc2[N+](=O)[O-])sc2c1CCCC2 1128958 HGJHCSDMBXNIFG-UHFFFAOYSA-N 374.418 3.503 5 50 FHBA O=C(NC[C@@H]1CCCO1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 1311882 PCRVVOKFVKDAIF-AWEZNQCLSA-N 358.419 3.655 5 50 FHBA O=C(Nc1ccc(Cl)cn1)c1cc([N+](=O)[O-])ccc1Br 1173766 BVRDKWWANADIHE-UHFFFAOYSA-N 356.563 3.658 5 50 FHBA O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccn(Cc2ccc(Cl)cc2)n1 2754081 KNSPBFSDKUIARN-FNORWQNLSA-N 372.768 3.738 5 50 FHBA CC(C)c1nnc(CCC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)o1 180467212 MTIVNLYOTGTTPD-UHFFFAOYSA-N 372.303 3.691 5 50 FHBA CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1ccc([N+](=O)[O-])cc1 1111496 HPNDBLFDAFMPGL-UHFFFAOYSA-N 374.809 3.917 5 50 FHBA O=C(COC(=O)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1140513 GXLINSJBYJJQQC-UHFFFAOYSA-N 354.145 3.941 5 50 FHBA COc1cc(-c2c3cnn(C)c3nc3c2oc2cc(O)ccc23)ccc1O 253402344 GHOVEUVTHIWPDB-UHFFFAOYSA-N 361.357 3.955 5 50 FHBA biogenic C[C@@H]1CCCN(c2cc(N3CCC[C@@H](C)C3)c3nonc3c2[N+](=O)[O-])C1 13371805 UVMSNKSWMRQCFR-CHWSQXEVSA-N 359.430 3.604 5 50 FHBA O=C1C[C@H](c2cccc([N+](=O)[O-])c2)Sc2nc(-c3ccc(F)cc3)nn21 1155911 WNRLSMXHPCPUNM-CQSZACIVSA-N 370.365 3.870 5 50 FHBA CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc(C)c1CC 1113209 REOWVMCJDZIGPU-UHFFFAOYSA-N 362.407 3.956 5 50 FHBA Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 4183650 MKLPCGPRUJPZLY-UHFFFAOYSA-N 367.327 3.764 5 50 FHBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2cccnc2)n1 5050236 GTNKTWDOMHKHKK-UHFFFAOYSA-N 363.377 3.558 5 50 FHBA Cc1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)cc1[N+](=O)[O-] 1112465 HYSZTTDNVPGHEG-UHFFFAOYSA-N 368.418 3.792 5 50 FHBA Cc1c(Cl)cccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1206651 FCEXCLMQOXLKOB-UHFFFAOYSA-N 358.737 3.915 5 50 FHBA O=[N+]([O-])c1cc(Br)c(Br)c(Br)c1 4529788 AKLYERMMCABILW-UHFFFAOYSA-N 359.799 3.882 5 50 FHBA O=C1c2cc([N+](=O)[O-])ccc2-c2cc(Cl)c(NC(=O)C(F)(F)F)cc21 1696172 FUPOJZUMYLOSSF-UHFFFAOYSA-N 370.670 3.960 5 50 FHBA Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1[N+](=O)[O-] 944883 PTXNEZFONVBLTA-UHFFFAOYSA-N 356.378 3.968 5 50 FHBA CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)C12CCCCC2 170638947 UAKFENKKHXGGRL-SJORKVTESA-N 364.417 3.934 5 50 FHBA CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])c1 4608199 XWMAFTSWXCYBQN-UHFFFAOYSA-N 359.407 3.509 5 50 FHBA C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)C[C@@H](C)O1 949105 MQCJWTDNHBARFK-ZIAGYGMSSA-N 364.405 3.819 5 50 FHBA O=[N+]([O-])c1ccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 1121335 MDEAXGOBYPEWAT-UHFFFAOYSA-N 361.854 3.746 5 50 FHBA O=c1c2ccc(Cl)cc2ncn1Cc1c(Cl)cccc1[N+](=O)[O-] 2529400 MDMCMKVGJBNECA-UHFFFAOYSA-N 350.161 3.660 5 50 FHBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1F 6513781 YESYOIWILLMNJQ-UHFFFAOYSA-N 353.762 3.514 5 50 FHBA Cc1cccc(N2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)c1C 1135686 QZFQQJONGCUNNY-ZHACJKMWSA-N 365.433 3.574 5 50 FHBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nnc(CCc2ccccc2)s1 5010379 IIHMNPPWSGRGEG-UHFFFAOYSA-N 369.406 3.876 5 50 FHBA COCCSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC 2865294 SSIWIVMEJXRHTA-UHFFFAOYSA-N 362.407 3.594 5 50 FHBA COc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1 4868867 LBIXEJDXXINPSP-UHFFFAOYSA-N 370.434 3.615 5 50 FHBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cnn(Cc2ccc(F)cc2)c1 5060286 XYKYDNBMULNTTE-UHFFFAOYSA-N 355.329 3.623 5 50 FHBA Cc1cc(-n2ccnc2)ccc1COC(=O)/C=C/c1ccccc1[N+](=O)[O-] 2325703715 HRKGKJSIYGZVCK-VQHVLOKHSA-N 363.373 3.846 5 50 FHBA O=[N+]([O-])c1ccc(NCc2noc(-c3cccs3)n2)cc1OC(F)F 225647589 BITIJSDJLBWCGT-UHFFFAOYSA-N 368.321 3.920 5 50 FHBA O=[N+]([O-])c1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 55543186 RBPKQXBWFFOHPT-UHFFFAOYSA-N 365.355 3.936 5 50 FHBA CCOc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 1117080 YXBOPIPALPCSCY-UHFFFAOYSA-N 362.341 3.947 5 50 FHBA CC(=O)Nc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)sc2c1 2860390 RNLZLRLRGMHIEM-UHFFFAOYSA-N 370.390 3.724 5 50 FHBA O=C(O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 4178146 ZNAVRVONVDRWTE-UHFFFAOYSA-N 356.179 3.585 5 50 FHBA COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c([N+](=O)[O-])c1 4869228 XHOMMFLDGQQOTD-LLVKDONJSA-N 364.785 3.971 5 50 FHBA O=[N+]([O-])c1ccc(Oc2cccc(Oc3ccc([N+](=O)[O-])cn3)c2)nc1 1565504921 MMFKMKSWZFZKIE-UHFFFAOYSA-N 354.278 3.878 5 50 FHBA O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccccn1 853027 RRQHMHBKEBHXPJ-UHFFFAOYSA-N 361.313 3.583 5 50 FHBA O=[N+]([O-])c1cccc(-c2nc(NC[C@@H]3CCCO3)c3ccccc3n2)c1 1147500 FYRUYOJJMQELLD-HNNXBMFYSA-N 350.378 3.796 5 50 FHBA O=[N+]([O-])c1ccccc1/C=C/CN1CCN(C/C=C/c2ccccc2)CC1 4987215 NRGYNZQRBTVEKK-QXZILWSFSA-N 363.461 3.939 5 50 FHBA CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])cc1I 4099309 MCPGEGLMPANJTH-UHFFFAOYSA-N 364.139 3.546 5 50 FHBA CCCC(=O)N[C@H](Oc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 2620781 CILMKGIYXPTDNW-LLVKDONJSA-N 355.605 3.586 5 50 FHBA Cc1cccc(NC(=O)c2ccc(NC[C@@H]3CCCO3)c([N+](=O)[O-])c2)c1 4984068 ZUXPEEYVDZKXJO-INIZCTEOSA-N 355.394 3.746 5 50 FHBA O=[N+]([O-])c1cc([N+](=O)[O-])c(SCCNc2ccccc2)c([N+](=O)[O-])c1 100288842 TYXUDGASDWXPMM-UHFFFAOYSA-N 364.339 3.615 5 50 FHBA O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cccc([N+](=O)[O-])c1 4809708 VFWCMIWNKYISFH-UHFFFAOYSA-N 359.345 3.557 5 50 FHBA COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c([N+](=O)[O-])c1 4902248 RFFWZOQZYUUPKC-NSHDSACASA-N 364.785 3.971 5 50 FHBA C[C@H](OC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 248266301 FBOVAJIMDPVRRU-UHXUCMFUSA-N 357.366 3.685 5 50 FHBA CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 4913422 HOYBASCFOJZPSD-MRXNPFEDSA-N 372.421 3.738 5 50 FHBA O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@H]2CCOC3(CCCCC3)C2)n1 408448219 QNOMHVZEIOFEES-GVDBMIGSSA-N 362.474 3.747 5 50 FHBA Cc1ccc(NC(=O)COc2ccc(Br)cc2)cc1[N+](=O)[O-] 1125080 NNJJOGAINWQOKD-UHFFFAOYSA-N 365.183 3.683 5 50 FHBA O=[N+]([O-])c1ccc(S(=O)(=O)NN(c2ccccc2)c2ccccc2)cc1 1230683 OTAXYZVJGARMGH-UHFFFAOYSA-N 369.402 3.626 5 50 FHBA CCCCOC(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1 4420864 XVTMIIXROFCRSH-UHFFFAOYSA-N 356.338 3.832 5 50 FHBA O=C(Nc1ccc2nn(-c3cccc([N+](=O)[O-])c3)nc2c1)c1ccccc1 1217406 NTAOXMDMJNZPDQ-UHFFFAOYSA-N 359.345 3.581 5 50 FHBA O=C(c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)N1CCOCC1 1108221 UKIVBITXCWHPSS-UHFFFAOYSA-N 362.769 3.513 5 50 FHBA O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1cc(Cl)ccc1O 1129551 JIHVGQCKRQHYKU-UHFFFAOYSA-N 368.732 3.908 5 50 FHBA CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])c1 4006157 GDXHYAODWFBPSS-UHFFFAOYSA-N 365.729 3.807 5 50 FHBA CC[C@]12CCC[N@+]3(CC)CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]23 252441041 BYDKBTXPTYHQQH-KNAFXUBQSA-O 367.513 3.980 5 50 FHBA O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@H]2CCOC3(CCCCC3)C2)n1 408448221 QNOMHVZEIOFEES-YESZJQIVSA-N 362.474 3.747 5 50 FHBA O=c1c2cc3c(=O)n(C4CCCCC4)ccc3nc2ccn1-c1ccccn1 38829232 MAIRZMUQJLZSRL-UHFFFAOYSA-N 372.428 3.601 5 50 FHBA O=C(O)c1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 222280127 GXLNKGYTGQCCLQ-BMGDILEWSA-N 354.362 3.928 5 50 FHBA COc1ccc(-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1OC 1136165 RJRWCDQVJJBARX-UHFFFAOYSA-N 361.741 3.982 5 50 FHBA COC(=O)c1ccccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1453682 ZYXRWRIPHRYQER-UHFFFAOYSA-N 366.329 3.894 5 50 FHBA COc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1[N+](=O)[O-] 1140311 VWZDKXRVVQQQDH-UHFFFAOYSA-N 362.411 3.755 5 50 FHBA Cc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 4663267 UPDQJRYISXFVEH-UHFFFAOYSA-N 367.327 3.764 5 50 FHBA O=C(NC(=S)N(Cc1ccccc1)CC1CC1)c1cccc([N+](=O)[O-])c1 1057344 QCHNBMPRKRELCC-UHFFFAOYSA-N 369.446 3.522 5 50 FHBA CC[C@@H](NC(=O)CCn1ncc([N+](=O)[O-])c1C)C12CC3CC(CC(C3)C1)C2 6555369 LNLKRMSIPJMYSX-ZVQXUQNISA-N 374.485 3.601 5 50 FHBA CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)C12CCCCC2 170638945 UAKFENKKHXGGRL-IRXDYDNUSA-N 364.417 3.934 5 50 FHBA O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 13846174 JBCBGAQNGBPQBF-QZTJIDSGSA-N 350.374 3.941 5 50 FHBA CCOc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] 1117458 ZJKNCOWIRNGSEQ-UHFFFAOYSA-N 371.393 3.840 5 50 FHBA O=[N+]([O-])c1cccnc1N1CCN(c2ccnc3cc(Cl)ccc23)CC1 4753715 UNWXLMJUOBFOMT-UHFFFAOYSA-N 369.812 3.518 5 50 FHBA COc1cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(OC)cc1Cl 834217 ZERRAHSBASCLQK-UHFFFAOYSA-N 366.757 3.526 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 4904419 QDJBILQJYPODLE-SNVBAGLBSA-N 350.758 3.663 5 50 FHBA O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc1 20405598 LWHDOQNAOKFCNA-UHFFFAOYSA-N 353.209 3.623 5 50 FHBA COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1Cl 3001707 IDLDFAAVEQRVNX-UHFFFAOYSA-N 365.729 3.726 5 50 FHBA CCCc1cc(C(=O)OC)c(NC(=O)Cc2ccccc2[N+](=O)[O-])s1 1009091 JGQHCDDHJQVRTO-UHFFFAOYSA-N 362.407 3.577 5 50 FHBA CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 13330073 RTXMVPXZCCVIJB-HNNXBMFYSA-N 354.815 3.678 5 50 FHBA O=C1C[C@H](c2ccccc2)Sc2nc(-c3ccc([N+](=O)[O-])cc3)nn21 719385 OYJJJDIZMFTYRP-CQSZACIVSA-N 352.375 3.731 5 50 FHBA Cc1nn([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(C)c1[N+](=O)[O-] 1067543 MRJSLFIOTYQJHS-JTQLQIEISA-N 356.304 3.627 5 50 FHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1Br 1188133 IZWFZSBYHQGPQX-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA Cn1ncc2c(-c3ccc4c(c3)OCO4)c3oc4cc(O)ccc4c3nc21 253413297 UKGNYKJFNJRIND-UHFFFAOYSA-N 359.341 3.969 5 50 FHBA biogenic COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@@H]1CCCc2ccccc21 5041746 HLGBYTASZVOVNI-OAHLLOKOSA-N 357.435 3.967 5 50 FHBA O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccco2)cc1 2844997 ZEXQJZAIPBCIEM-UHFFFAOYSA-N 366.329 3.797 5 50 FHBA O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2CCOC3(CCCCC3)C2)n1 408448220 QNOMHVZEIOFEES-IXDOHACOSA-N 362.474 3.747 5 50 FHBA COc1ccc(OC)c(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 4583075 AUWBRBWDLCDHBQ-UHFFFAOYSA-N 351.746 3.909 5 50 FHBA O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)ccc1NC[C@@H]1CCCO1 3904832 AUWNPLFSKLQHNC-HNNXBMFYSA-N 366.377 3.903 5 50 FHBA CCCC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 4774808 VKYWBURNJNDXCR-NSHDSACASA-N 354.621 3.619 5 50 FHBA COc1ccccc1Nc1nc(N2CCC(C)CC2)nc(C)c1[N+](=O)[O-] 4949460 DOYGWJPXUJAWLJ-UHFFFAOYSA-N 357.414 3.682 5 50 FHBA CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]21 222312116 KOVFKYDUXJBVAW-XYPYXGAPSA-N 358.781 3.506 5 50 FHBA Cc1ccc(C(=O)COC(=O)c2cc3ccccc3cc2O)cc1[N+](=O)[O-] 1170702 JSCXKLPRWKVNGC-UHFFFAOYSA-N 365.341 3.802 5 50 FHBA COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 4014341 ZQJBFNMDPLGZRA-UHFFFAOYSA-N 355.394 3.846 5 50 FHBA O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccccc1[N+](=O)[O-] 1173031 GIVWTQDJZIMXDG-UHFFFAOYSA-N 351.387 3.875 5 50 FHBA Cc1cccc(N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1C 1183188 XMVZXIMXFOCWQZ-UHFFFAOYSA-N 373.840 3.827 5 50 FHBA O=C(NC[C@H](O)c1cccc(F)c1)c1cc([N+](=O)[O-])cc(Cl)c1Cl 225705058 ZPDAIILIORCLNQ-ZDUSSCGKSA-N 373.167 3.504 5 50 FHBA CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 17076223 MUXBQGJCPDGCOJ-KRWDZBQOSA-N 372.421 3.596 5 50 FHBA COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1Cl 1055719 QJDNYMHKWHDEPG-UHFFFAOYSA-N 374.736 3.616 5 50 FHBA Cc1ccc2cccc(OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2n1 1108284 NDZZVOKVTBJDRZ-UHFFFAOYSA-N 351.362 3.777 5 50 FHBA Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)Nc1cc(F)ccc1F 2796269 PIWRYIQCBJJEGZ-UHFFFAOYSA-N 372.331 3.679 5 50 FHBA CCC[C@H](C)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n[nH]1 491550357 XXKAMRAWBTXUHI-JTQLQIEISA-N 366.443 3.639 5 50 FHBA COc1cccc(N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)c1 55291819 YMPLMWOHEOESDR-UHFFFAOYSA-N 361.829 3.579 5 50 FHBA Cc1nc(-c2cccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c2)n[nH]1 182981134 XLXJDCZUYBSIRE-JTQLQIEISA-N 369.356 3.570 5 50 FHBA Cc1nn(Cc2ccccc2C(=O)Nc2cccc(F)c2)c(C)c1[N+](=O)[O-] 2796484 RAJSBGVBLXLHDT-UHFFFAOYSA-N 368.368 3.848 5 50 FHBA COc1ccc(Cl)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 778137 HVGAMYOLRFIXHY-UHFFFAOYSA-N 374.736 3.616 5 50 FHBA COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c(-c3ccccc3)cnn12 20605432 WMUKZJWACIXOJH-UHFFFAOYSA-N 374.356 3.758 5 50 FHBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 4658858 SOUVNLZEHXDKSD-UHFFFAOYSA-N 353.762 3.514 5 50 FHBA O=C(c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)n1nnc2ccccc21 1100068 JVDXOIDBNXUSJB-UHFFFAOYSA-N 360.329 3.820 5 50 FHBA Cc1cc(Br)c(F)cc1CNC(=O)c1ccc([N+](=O)[O-])s1 2325874400 LECNVQKFHZAXDK-UHFFFAOYSA-N 373.203 3.796 5 50 FHBA O=C(c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1)N1CCCC1 5041485 BKXSWSOKINEVBH-UHFFFAOYSA-N 370.434 3.640 5 50 FHBA O=C(Nc1ccc(C(=O)Nc2nccs2)cc1)c1cccc([N+](=O)[O-])c1 1119051 JOESDYIYYMKZPG-UHFFFAOYSA-N 368.374 3.556 5 50 FHBA COc1cc(OC)c(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 4796037 BJRNABSHGVKXSL-UHFFFAOYSA-N 353.718 3.917 5 50 FHBA Cc1cc(C(=O)OCc2ccc(C(=O)OC(C)C)cc2)ccc1[N+](=O)[O-] 1132737 CAUDJAJHTGOYMP-UHFFFAOYSA-N 357.362 3.825 5 50 FHBA O=C(Cn1nc(-c2ccc(F)cc2)oc1=S)c1ccc([N+](=O)[O-])cc1 2597852 CCIXJZFTQTXQMK-UHFFFAOYSA-N 359.338 3.803 5 50 FHBA Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(C)c1Cl 4833016 GDGADPYAMHFZQX-UHFFFAOYSA-N 350.758 3.588 5 50 FHBA CC[C@@](C)(O)CN(Cc1ccccc1)c1ccc(C(C)=O)cc1[N+](=O)[O-] 170603200 SVNOKJPNIDXYFE-HXUWFJFHSA-N 356.422 3.965 5 50 FHBA Cc1ccc(C(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] 1170430 VZPWDFBQAXTULH-UHFFFAOYSA-N 366.373 3.743 5 50 FHBA Cc1cc(OCc2nc(N(C)Cc3ccccc3)no2)ccc1[N+](=O)[O-] 328595013 INQVWRGVGMPYPN-UHFFFAOYSA-N 354.366 3.502 5 50 FHBA C[C@H]1CCc2c(sc3ncn(Cc4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 955574 UWQAGQLBPSTIAE-NSHDSACASA-N 355.419 3.539 5 50 FHBA CC(C)OC(=O)N(C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 4800268 GSFMJVABVHOZJR-UHFFFAOYSA-N 351.237 3.503 5 50 FHBA Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Cl)ccc1Cl 797420 OQEKRHCWSIIVKS-UHFFFAOYSA-N 363.588 3.699 5 50 FHBA Cc1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 4562237 WORSGVQXFPUZPH-UHFFFAOYSA-N 363.826 3.612 5 50 FHBA O=C(COC(=O)c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1151030 ZPWLSSBIVZOZOM-UHFFFAOYSA-N 354.145 3.941 5 50 FHBA O=[N+]([O-])c1cccc(-c2cn3cc(I)ccc3n2)c1 1386149 CLRYLXAWKMAGPK-UHFFFAOYSA-N 365.130 3.514 5 50 FHBA biogenic COC(=O)c1cc(C(C)C)sc1NC(=O)Cc1ccccc1[N+](=O)[O-] 20550092 FCUITOVUTIMJBN-UHFFFAOYSA-N 362.407 3.748 5 50 FHBA O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1ccccc1[N+](=O)[O-] 5050707 PFJXJCMPPZENPZ-UHFFFAOYSA-N 367.386 3.580 5 50 FHBA CCOc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1[N+](=O)[O-] 1134747 UPIZXBDUZYBTHW-UHFFFAOYSA-N 355.394 3.846 5 50 FHBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 100998363 AYIONCYNBFNVBU-IXAYDPDBSA-N 356.344 3.965 5 50 FHBA CCOc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OCC 5024164 PFXZQIANJCEFQL-UHFFFAOYSA-N 360.366 3.653 5 50 FHBA COc1ccc(-c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3C)s2)cc1 2872731 BFQQHSFZVMFLCW-UHFFFAOYSA-N 370.390 3.683 5 50 FHBA O=[N+]([O-])c1ccc(CS(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 754131 KPCLOZHVJZNNNL-UHFFFAOYSA-N 361.206 3.844 5 50 FHBA O=C(NC[C@H]1CCCO1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 1311881 PCRVVOKFVKDAIF-CQSZACIVSA-N 358.419 3.655 5 50 FHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](Cc2ccccc2)[C@H]1C 472352520 ZPMLZUMIXUQGGH-AEFFLSMTSA-N 367.449 3.795 5 50 FHBA COc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OC(F)F 6922621 BRAGGLXRSRNBNY-UHFFFAOYSA-N 352.293 3.766 5 50 FHBA Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)c1C 14256464 NFEYRGWWTAKBNB-UHFFFAOYSA-N 352.387 3.768 5 50 FHBA CCOC(=O)c1ccccc1Nc1c([N+](=O)[O-])c(=O)oc2ccccc12 4819318 YTUYPLVPRSLOGC-UHFFFAOYSA-N 354.318 3.622 5 50 FHBA O=Cc1ccc(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c([N+](=O)[O-])c1 5635517 QSSNMTVVVQTZIJ-UHFFFAOYSA-N 360.782 3.997 5 50 FHBA CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCC2 727226 GXLYPHDDPJOMRQ-UHFFFAOYSA-N 360.391 3.574 5 50 FHBA O=C(Cn1c(-c2ccccc2)c[n+]2ccsc12)c1ccc([N+](=O)[O-])cc1 3210617 OLNZQPCZIYDLIN-UHFFFAOYSA-N 364.406 3.746 5 50 FHBA COc1ccc(NC(=O)COc2ccc3ccccc3c2)c([N+](=O)[O-])c1 5101785 UDIZSVMUIUSDRF-UHFFFAOYSA-N 352.346 3.774 5 50 FHBA COCCSc1ccccc1C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 4704430 LABXZXQQZDASDF-UHFFFAOYSA-N 362.407 3.594 5 50 FHBA COc1cccc2sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc12 1231004 ARFBNNHWKFFSMH-JXMROGBWSA-N 355.375 3.865 5 50 FHBA COc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 4902344 SSUQIAALXQCELE-SNVBAGLBSA-N 350.758 3.663 5 50 FHBA CC(=O)c1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 792761 WPGFGEQPIXYRPC-UHFFFAOYSA-N 360.325 3.751 5 50 FHBA O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1[N+](=O)[O-] 4247938 SCYFMCHLKBHSHL-UHFFFAOYSA-N 359.345 3.557 5 50 FHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 6189094 KYMJNNDTMPCFEO-UHFFFAOYSA-N 360.757 3.647 5 50 FHBA COc1cc(CNCCc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 19720969 GUDUWOPYOORIGV-UHFFFAOYSA-N 350.802 3.598 5 50 FHBA C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c4CC[C@@H]3[C@@H]1CCC2=O 71770590 OUTYSJWUIGIGQH-PSGYZZSVSA-N 360.366 3.634 5 50 FHBA Cn1c2ccccc2c2nn3c(SCc4ccccc4F)nnc3nc21 2977974 DIAQOAPVMSIRON-UHFFFAOYSA-N 364.409 3.596 5 50 FHBA O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc([N+](=O)[O-])c1 3129765 WVWZWPHJQPOING-UHFFFAOYSA-N 370.346 3.879 5 50 FHBA COc1cc(C(=O)Nc2nc3ccc(C)cc3s2)c([N+](=O)[O-])cc1OC 1181698 WBMYKCMBIIWTLM-UHFFFAOYSA-N 373.390 3.782 5 50 FHBA Cc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 4372130 YSNNPHLASOZURC-UHFFFAOYSA-N 360.313 3.940 5 50 FHBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C)cc1 4188695 RNLJLSAWTQRPIN-CQSZACIVSA-N 373.840 3.908 5 50 FHBA COc1cc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(OC)c1OC 4670471 LRCKCYLLUMJLAJ-VMPITWQZSA-N 372.377 3.581 5 50 FHBA O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)c1ccccn1 38154873 KFZJXFDIUBDVTQ-UHFFFAOYSA-N 363.373 3.602 5 50 FHBA O=C(Nc1ccc2nn(-c3cccc([N+](=O)[O-])c3)nc2c1)c1cccs1 5093556 XKEHJHKAEVMNCV-UHFFFAOYSA-N 365.374 3.643 5 50 FHBA Cc1ccc(F)c(NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)c1 2796331 FTECWIWJGOYZDQ-UHFFFAOYSA-N 368.368 3.848 5 50 FHBA COC(=O)c1cc(C)sc1NC(=S)Nc1ccccc1[N+](=O)[O-] 5041809 LHEGMDRMXSIWIB-UHFFFAOYSA-N 351.409 3.560 5 50 FHBA C[C@H](NC(=O)c1cc([N+](=O)[O-])c(N)cc1F)c1ccc2c(c1)CCCC2 253404917 FWBCJONVFWOUOV-NSHDSACASA-N 357.385 3.686 5 50 FHBA O=C(Nc1ccc(F)cc1)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1 16945394 YDFNGUHCZAZDAO-UHFFFAOYSA-N 373.369 3.820 5 50 FHBA CC(C)(C)OC(=O)NC1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 225387995 GWDCAVWQODKTJK-UHFFFAOYSA-N 355.822 3.742 5 50 FHBA O=[N+]([O-])c1cc2ccccc2nc1N1CCN(c2ccncc2Cl)CC1 2325740037 OWGOYIFEQDLPLY-UHFFFAOYSA-N 369.812 3.518 5 50 FHBA COc1ccc(Nc2nc(Nc3ccc(O)cc3)nc(C)c2[N+](=O)[O-])cc1 5022412 GGXVNNMIRNKRRX-UHFFFAOYSA-N 367.365 3.895 5 50 FHBA Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1C 5103001 FDNVLBIQPDRELD-UHFFFAOYSA-N 373.840 3.827 5 50 FHBA CCC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O 5408259 KYNMKEMSEAXQAD-MRXNPFEDSA-N 367.357 3.908 5 50 FHBA Cc1c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)oc2ccccc12 1176559 XYIWZMUBNWWHGW-UHFFFAOYSA-N 373.365 3.915 5 50 FHBA Cc1ccc(N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]2C)cc1 2854071 CLTJAEIXEDUHGG-OAHLLOKOSA-N 354.410 3.646 5 50 FHBA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1 2970755 QZOKMULJKFLZSK-UHFFFAOYSA-N 373.372 3.889 5 50 FHBA Cc1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1 2449565 CCTUZSRRZMRUJH-UHFFFAOYSA-N 368.418 3.674 5 50 FHBA Cc1ccc(-c2nc(NC(=O)c3nn(C)cc3[N+](=O)[O-])sc2C)cc1C 653353 SSVYZBWWFLPCPS-UHFFFAOYSA-N 371.422 3.629 5 50 FHBA O=[N+]([O-])c1cc2c(cc1CNCCc1ccc(Cl)cc1Cl)OCO2 19642803 XCUSOQJFTCJZLA-UHFFFAOYSA-N 369.204 3.963 5 50 FHBA Cc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)cc1C 4310088 GPOIGQWPVQCKDB-UHFFFAOYSA-N 363.826 3.992 5 50 FHBA CC(C)(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc([N+](=O)[O-])cc1 2275327 ABWQFWBJYKVZCT-UHFFFAOYSA-N 357.366 3.944 5 50 FHBA Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)Nc1cccc(F)c1 2796438 IQTIRKDZLIIZRN-UHFFFAOYSA-N 354.341 3.539 5 50 FHBA O=[N+]([O-])c1ccc(=NCC2(c3ccncc3)CC2)[nH]c1-c1ccc(F)cc1 2325743369 KKXSSSHGOKAICG-UHFFFAOYSA-N 364.380 3.757 5 50 FHBA O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)Nc1ccccc1F 17179635 DDFPWULZYHVXHQ-UHFFFAOYSA-N 359.342 3.896 5 50 FHBA COc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-] 1209762 HSKDTQNMMNHMBP-UHFFFAOYSA-N 363.373 3.842 5 50 FHBA O=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccco1 1218902 SRGFUTOIRCACCV-UHFFFAOYSA-N 351.318 3.692 5 50 FHBA O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 1140845 IRDNKJWDGANPOK-UHFFFAOYSA-N 373.796 3.737 5 50 FHBA C[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc([N+](=O)[O-])cc1 1141308 BQEMKVRRGFERND-AWEZNQCLSA-N 373.840 3.701 5 50 FHBA COCCOc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 4866938 TYUBHXOMNXMELF-UHFFFAOYSA-N 350.758 3.526 5 50 FHBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC[C@@H]2CCCO2)c1 4998255 UZIISQQUSJEKAJ-INIZCTEOSA-N 355.394 3.746 5 50 FHBA O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1cccnc1 4438701 ORWSILVURDYEKF-FMIVXFBMSA-N 370.368 3.859 5 50 FHBA O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccccc1[N+](=O)[O-] 4809578 KPAPHKHJAVZSKN-UHFFFAOYSA-N 359.345 3.557 5 50 FHBA COC(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1 1097963 CEOJJLNUXCNZNV-UHFFFAOYSA-N 369.160 3.941 5 50 FHBA COc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1[N+](=O)[O-] 1177649 SOQWTTSVFSYFCS-UHFFFAOYSA-N 354.406 3.845 5 50 FHBA biogenic Cc1ncc([N+](=O)[O-])n1CCOC(=O)Nc1ccc(Cl)c(Cl)c1 843846 LZBIFAWBTFUUTJ-UHFFFAOYSA-N 359.169 3.655 5 50 FHBA O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 4550201 AUHDKPCOOZYGPD-UHFFFAOYSA-N 365.169 3.842 5 50 FHBA CCCOc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 4687308 YVNBBRHEESYLRE-UHFFFAOYSA-N 359.407 3.510 5 50 FHBA CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1149721 YTDYJVBFZICGDO-YCRREMRBSA-N 359.769 3.859 5 50 FHBA Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1 170090241 PIYRZSLRAMEZAE-HWPZZCPQSA-N 366.776 3.548 5 50 FHBA O=C(Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)c1ccc(F)cc1 662939 UZKNUCXOAMGGFS-UHFFFAOYSA-N 358.247 3.927 5 50 FHBA Cc1nn(C)cc1[C@H]1CC(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 6527430 DARCMLMRCFQCGY-HXUWFJFHSA-N 361.405 3.992 5 50 FHBA CC1(C)CN(c2ncc([N+](=O)[O-])cc2Br)CC2(CCCC2)O1 302708999 YZTWHBIFPIBVFL-UHFFFAOYSA-N 370.247 3.680 5 50 FHBA Cc1c(-c2nc3ccc(Br)cc3c(=O)o2)cccc1[N+](=O)[O-] 1148558 NMSASNBLSJFQJU-UHFFFAOYSA-N 361.151 3.834 5 50 FHBA COC(=O)c1cccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1C 3667858 VKPOJJKREKDAFU-UHFFFAOYSA-N 371.392 3.599 5 50 FHBA COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4998369 KFDFEZWQSQQPBX-UHFFFAOYSA-N 355.394 3.846 5 50 FHBA CCOc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC 957875 RYMLYNFXQQGTSP-JXMROGBWSA-N 356.378 3.962 5 50 FHBA COc1ccc(-c2cn3c([n+]2-c2ccc([N+](=O)[O-])cc2)SCCC3)cc1 2597988 XDJHLJZXWJZINC-UHFFFAOYSA-N 368.438 3.844 5 50 FHBA CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])c1 4622097 XYTCXYIUGFXTAQ-UHFFFAOYSA-N 359.407 3.510 5 50 FHBA O=C(COc1ccc2c(c1)CCC2)Nc1nc2ccc([N+](=O)[O-])cc2s1 4750421 BZRBPARLCIMWLL-UHFFFAOYSA-N 369.402 3.711 5 50 FHBA CC(C)c1ccc(C(=O)Nc2cccc3c2CN(C)C3=O)cc1[N+](=O)[O-] 412543511 SVGLGBSDBHAJTL-UHFFFAOYSA-N 353.378 3.556 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1Sc2ccccc2N=C1O 9316512 WLQXPBDBMRRUSV-HNNXBMFYSA-N 373.390 3.695 5 50 FHBA O=C(COc1ccc(Cl)c2cccnc12)Nc1cccc([N+](=O)[O-])c1 1124144 UNZSIRRGRSZHCG-UHFFFAOYSA-N 357.753 3.814 5 50 FHBA O=[N+]([O-])c1c(NCCc2ccccc2)ncnc1NCCc1ccccc1 4109993 JISJXMJPJRVYDC-UHFFFAOYSA-N 363.421 3.694 5 50 FHBA CCC(=O)Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl 4857355 QDPKHMMONZAXDI-UHFFFAOYSA-N 362.769 3.954 5 50 FHBA COCCSc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1OC 5027868 INEUFBLFSOSALA-UHFFFAOYSA-N 362.407 3.594 5 50 FHBA COCCNc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-] 4757939 POHHMCCCBNGOGW-UHFFFAOYSA-N 363.801 3.867 5 50 FHBA COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC 5020985 NNWUVRSGGLVINY-UHFFFAOYSA-N 366.757 3.526 5 50 FHBA N=C(N)SCc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 4725220 RKRBILSXWPKFNX-UHFFFAOYSA-N 353.407 3.574 5 50 FHBA N/C=C1\C(=O)N(c2c(Cl)cccc2Cl)c2ccc([N+](=O)[O-])cc21 5062099 MSALUYQKYQZXOH-YFHOEESVSA-N 350.161 3.880 5 50 FHBA O=c1c2c(-c3ccccc3)csc2nc2c3ccccc3c3nncn3n12 632057 KCSTUYOCLXIDPZ-UHFFFAOYSA-N 369.409 3.772 5 50 FHBA CCCN1CCC(N[C@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)CC1 5032136 FTQNXGWSSXOUKZ-IBGZPJMESA-N 356.470 3.918 5 50 FHBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(OCCCF)cc3)CC2)cc1 58980999 IKKMVNBKHOKYQH-UHFFFAOYSA-N 373.428 3.655 5 50 FHBA Cc1ccc(OCC(=O)Oc2cccc([N+](=O)[O-])c2)c(Br)c1 673896 KDOGOHNDWYLKPL-UHFFFAOYSA-N 366.167 3.650 5 50 FHBA CC(=O)Nc1c(C)c([N+](=O)[O-])c(Br)c(C)c1Br 3131027 MNBDXXVIRZZGCN-UHFFFAOYSA-N 366.009 3.695 5 50 FHBA O=[N+]([O-])c1cccc(OCCOCCOc2cccc3cccnc23)c1 4841440 OQSOVJLTHVGADQ-UHFFFAOYSA-N 354.362 3.617 5 50 FHBA CCOc1ccc([C@@H]2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1OC 1069720 FIZMCCKJDIVIBC-SFHVURJKSA-N 357.362 3.854 5 50 FHBA CC(C)(C)c1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 4619220 PNQHRORNRAHYQQ-UHFFFAOYSA-N 367.449 3.855 5 50 FHBA Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 827197 CTRMQOKVUTVQDN-LBPRGKRZSA-N 373.796 3.548 5 50 FHBA O=C(Nc1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3880229 VUHDRDOYRQRLIG-UHFFFAOYSA-N 360.801 3.602 5 50 FHBA COCCOc1ccc(Cl)cc1NC(=O)c1ccccc1[N+](=O)[O-] 4866954 FRNDXSXHUGTIKO-UHFFFAOYSA-N 350.758 3.526 5 50 FHBA Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC2(CCCC2)c2cccc(F)c21 241132953 JNOGZCHAJGDEKQ-UHFFFAOYSA-N 355.369 3.910 5 50 FHBA Cc1noc(C)c1[C@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 170608509 KGPKYXKRNAJWPS-VIFPVBQESA-N 351.790 3.615 5 50 FHBA C[C@H]1CCCN(c2cc(N3CCC[C@@H](C)C3)c3nonc3c2[N+](=O)[O-])C1 4020624 UVMSNKSWMRQCFR-OLZOCXBDSA-N 359.430 3.604 5 50 FHBA CCCCc1ccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 4676192 DOAZUBMJEUHNAG-UHFFFAOYSA-N 356.378 3.976 5 50 FHBA CCC(=O)Nc1nc(-c2cccs2)nc2c1c(=O)oc1ccccc12 753963 NHJAAYZFIWESBT-UHFFFAOYSA-N 351.387 3.813 5 50 FHBA COc1ccc(CCNc2cc(N3CCCC3)ccc2[N+](=O)[O-])cc1OC 4065366 KRTAFKARPWNUEE-UHFFFAOYSA-N 371.437 3.867 5 50 FHBA O=[N+]([O-])c1ccc2c(c1)[C@@H](O)n1nc(-c3ccc(Cl)cc3)nc1S2 810565 SKFHLRGOBSIENT-CQSZACIVSA-N 360.782 3.511 5 50 FHBA CCCSc1ncc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 4820529 QLEDKTNWYOZXCN-UHFFFAOYSA-N 352.803 3.793 5 50 FHBA C[C@H](OC(=O)NCCc1c[nH]c2ccc(O)cc12)c1ccccc1[N+](=O)[O-] 98052563 KUEQXJVRVDFKJY-LBPRGKRZSA-N 369.377 3.812 5 50 FHBA in-vitro O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1cccc([N+](=O)[O-])c1 2423339 LDCDXNZOXHKKSF-UHFFFAOYSA-N 372.768 3.870 5 50 FHBA O=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 16946402 FJWVZXBYVIDOHC-UHFFFAOYSA-N 359.342 3.896 5 50 FHBA CCc1cc(N2CC(C)(C)OC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 170612224 DAWUHGUDUUYOBQ-ZDUSSCGKSA-N 356.426 3.618 5 50 FHBA O=C(Cn1ccc2c([N+](=O)[O-])cccc21)N1CCCC[C@H]1c1cccnc1 218071709 UEZBVSRCIWQLBS-KRWDZBQOSA-N 364.405 3.698 5 50 FHBA biogenic Cc1ccc(N(Cc2ccco2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1218576 LPMJMZZIYATLOG-UHFFFAOYSA-N 372.402 3.892 5 50 FHBA COc1ccc2c(c1)Cc1sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc1-2 2830700 XMEXXJBFDAUHJE-UHFFFAOYSA-N 367.386 3.883 5 50 FHBA COc1ccc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C 1147835 QXKGAAJXXUVWQW-UHFFFAOYSA-N 365.183 3.927 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 4902839 GTYSCROAJOBLEL-LLVKDONJSA-N 364.785 3.971 5 50 FHBA CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1OC 241776840 RTBSBXGIFSPDHB-YMSVYLFOSA-N 374.437 3.557 5 50 FHBA O=C(NCCSc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)on1 1857800650 OMTJBEZZNAAZCQ-UHFFFAOYSA-N 369.402 3.772 5 50 FHBA COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br 4548620 RUSCMQTXBNQYGA-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA CCSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 1513016 RTDHBJKIWHDWMU-CQSZACIVSA-N 371.378 3.655 5 50 FHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2cccc(Cl)c2)CC1 1218402 KZXYFFHYSOSVQJ-BQYQJAHWSA-N 371.824 3.610 5 50 FHBA CCn1c(Sc2ccc(C=O)cc2[N+](=O)[O-])nnc1-c1ccccc1 1143687 KSPQVAHOQBMEJJ-UHFFFAOYSA-N 354.391 3.837 5 50 FHBA CCOc1cc2c(cc1OCC)[C@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 4912909 RKEVNMFKAGKHMN-ZDUSSCGKSA-N 356.378 3.866 5 50 FHBA O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cnccn1 1136273 PQNBGZVOGNIHQK-UHFFFAOYSA-N 351.318 3.534 5 50 FHBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)OCc1ccccc1[N+](=O)[O-] 4794238 VIRFBCJBDFYVBA-UHFFFAOYSA-N 351.702 3.905 5 50 FHBA CCO[C@@H]1C[C@H](NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C12CCCCC2 170678980 VVRUCPXBNXHRDC-JKSUJKDBSA-N 368.380 3.731 5 50 FHBA CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 4581519 DMLRYCMHCRQZGL-QGZVFWFLSA-N 370.405 3.838 5 50 FHBA COc1cc(C(=O)Nc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC 1189767 WJPFTGRBULFKMI-UHFFFAOYSA-N 370.283 3.883 5 50 FHBA COc1ccc(Br)cc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] 5094283 NUPBOLXDCTZRDD-UHFFFAOYSA-N 365.183 3.927 5 50 FHBA CCO[C@H]1C[C@@H](NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C12CCCCC2 170678988 VVRUCPXBNXHRDC-CVEARBPZSA-N 368.380 3.731 5 50 FHBA CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1cccnc1)c1ccccc1 5063381 OBDCUUHYYOZLQL-UHFFFAOYSA-N 362.389 3.879 5 50 FHBA O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2o1 4740938 FEEAMLASKMTFFV-UHFFFAOYSA-N 359.769 3.836 5 50 FHBA CCOC(=O)[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 4986156 CVVYRZATVIOPIP-AWEZNQCLSA-N 358.394 3.630 5 50 FHBA Cc1cc(-n2nc(C)nc2-c2cccc3c(=O)c4ccccc4[nH]c23)ccn1 67973997 CDXLHTQYLOAXQQ-UHFFFAOYSA-N 367.412 3.941 5 50 FHBA O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4629018 AQJNPPDYBZJQMO-UHFFFAOYSA-N 369.465 3.750 5 50 FHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Br)cc1 2998798 HOUNYXIMRTXCOI-UHFFFAOYSA-N 365.183 3.683 5 50 FHBA CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]21 169682558 HGNVSTHRDNMEFZ-XYPYXGAPSA-N 358.781 3.506 5 50 FHBA C[C@H]1C[C@H](C)CCN1C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 837527 HGOKTMDWWYWYHL-MNOVXSKESA-N 365.480 3.944 5 50 FHBA O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(F)c1 2982229 XTJPJEZRXHSRKU-UHFFFAOYSA-N 353.762 3.514 5 50 FHBA O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 4688216 WNKMRDOOZADNNE-UHFFFAOYSA-N 371.290 3.595 5 50 FHBA O=C(Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccc([N+](=O)[O-])cc1 4978135 SFEKABXOSJEZLI-UHFFFAOYSA-N 368.374 3.556 5 50 FHBA COC(=O)c1cc(C)sc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 675770 WZQBJVVTXDSAJF-UHFFFAOYSA-N 354.771 3.657 5 50 FHBA O=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccccc1[N+](=O)[O-] 4879042 BUXRZGSQGPBBBY-UHFFFAOYSA-N 357.369 3.885 5 50 FHBA Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 837616 KWCUYJSFZWJSCJ-LBPRGKRZSA-N 373.796 3.548 5 50 FHBA O=[N+]([O-])c1ccccc1Cc1nc(-c2ccc(Br)cc2)no1 1120186 WPTZMNWKXUZXES-UHFFFAOYSA-N 360.167 3.998 5 50 FHBA O=C(Oc1ccc(C(=S)N2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] 1167872 GJPZBZBVMCUAMY-UHFFFAOYSA-N 370.430 3.975 5 50 FHBA COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c([N+](=O)[O-])c1 4902249 RFFWZOQZYUUPKC-LLVKDONJSA-N 364.785 3.971 5 50 FHBA Cc1cccc(C)c1NC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1183017 YMGFOZRIKRKLOO-MDZDMXLPSA-N 355.419 3.738 5 50 FHBA O=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccc([N+](=O)[O-])cc1 985783 HMJWASBVKJOAMR-UHFFFAOYSA-N 357.369 3.885 5 50 FHBA COc1ccc(/C=C/c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1OC 5065451 JEBFPARCEZJVCR-VQHVLOKHSA-N 353.334 3.832 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 4904414 QDJBILQJYPODLE-JTQLQIEISA-N 350.758 3.663 5 50 FHBA Cc1ccccc1CSCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 2815503 OLCMQTJXHDDAHI-MDZDMXLPSA-N 356.447 3.966 5 50 FHBA O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc([N+](=O)[O-])o1 830446 UTTCQOBFSDNMDI-UHFFFAOYSA-N 365.301 3.954 5 50 FHBA Cc1cccc(C(=O)Nc2nnc(Cc3ccc([N+](=O)[O-])cc3)s2)c1 2848541 DEOYXOSDTHQKPX-UHFFFAOYSA-N 354.391 3.598 5 50 FHBA CC(C)(C)OC(=O)N1CC[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 328595356 SDSODTUXQVIDIB-ISQHREMWSA-N 373.453 3.549 5 50 FHBA CCOc1ccc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)cc1 22607789 ADKBKSYXZDIZPT-UHFFFAOYSA-N 356.385 3.585 5 50 FHBA Cc1ccc(CC(=O)Nc2ccc3c(c2)[C@@H](O)CCCC3)cc1[N+](=O)[O-] 1875267979 KRLQEOJYOHLMGW-IBGZPJMESA-N 354.406 3.844 5 50 FHBA Cc1ccc(C(C)(C)CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 6682022 GZFHVNMEGORNON-UHFFFAOYSA-N 357.454 3.986 5 50 FHBA CCOC(=O)[C@@H](Cc1ccccc1)c1ccnn1-c1cccc([N+](=O)[O-])c1 4091975 YSYBUNJBMFQDEN-SFHVURJKSA-N 365.389 3.670 5 50 FHBA Cc1cccc2c(CCNC(=O)CCNc3ccccc3[N+](=O)[O-])c[nH]c12 128689069 HXUGTUDUFHHMIW-UHFFFAOYSA-N 366.421 3.545 5 50 FHBA Cc1nn(C(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1Br 1085584 GGPUIFKDHLJARS-UHFFFAOYSA-N 358.579 3.513 5 50 FHBA CC(C)(C)C(=O)COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 1110439 GKEAMHWTZYFQHE-UHFFFAOYSA-N 356.378 3.841 5 50 FHBA CCOc1ccc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC 4908593 NUHJYPMJPWTBFC-UHFFFAOYSA-N 373.409 3.756 5 50 FHBA O=C(c1noc2c1CCCCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 156547083 RLRLXJSYRVMRPZ-UHFFFAOYSA-N 355.394 3.657 5 50 FHBA CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1 5197093 UWUQYSUSGIUBOC-LLVKDONJSA-N 350.396 3.615 5 50 FHBA CC(=O)c1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 711057 AFTSPZMIPDFMFQ-UHFFFAOYSA-N 364.151 3.779 5 50 FHBA Cc1nn([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(C)c1[N+](=O)[O-] 1067544 MRJSLFIOTYQJHS-SNVBAGLBSA-N 356.304 3.627 5 50 FHBA O=[N+]([O-])c1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1 1233451 DUJLUFZGRFVVEV-UHFFFAOYSA-N 368.414 3.663 5 50 FHBA Cc1cc(=O)oc2cc(OC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc12 1741743 IQZDAPBSSXBGFW-UHFFFAOYSA-N 358.281 3.760 5 50 FHBA CCCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 4702022 QVEWVUDKGMHYLC-UHFFFAOYSA-N 373.434 3.901 5 50 FHBA Cc1nn(-c2cc(N3CCCCC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 4180870 ZIQHNERTHZOPAF-UHFFFAOYSA-N 364.405 3.593 5 50 FHBA Cc1c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 4090566 OEKRDMNNHHUJBO-UHFFFAOYSA-N 355.375 3.776 5 50 FHBA Cc1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)c(C)c1 1000925 QUYLKOQLPZBESX-UHFFFAOYSA-N 350.378 3.709 5 50 FHBA O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])cc2cn[nH]c12 1422063 QLKLHBRDJIGFRB-UHFFFAOYSA-N 366.255 3.622 5 50 FHBA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]21 244708162 KOVFKYDUXJBVAW-WVATUKLVSA-N 358.781 3.506 5 50 FHBA CCO[C@H]1C[C@@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCCC2 170637044 VRQJYVMPXSIUSI-MSOLQXFVSA-N 371.437 3.886 5 50 FHBA CCc1cccc(CC)c1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 2848215 PFBKTVVTSRVHRY-UHFFFAOYSA-N 356.378 3.759 5 50 FHBA COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)COc1c(C)ccc(C)c1C 959361 HEYKCUKHSSINCV-MDZDMXLPSA-N 371.389 3.852 5 50 FHBA COC(=O)c1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1C 2855926 BZCBVQHBRMFSAD-UHFFFAOYSA-N 374.418 3.562 5 50 FHBA CCOc1ccc(C(=O)NC(=S)Nc2cc(C)ccc2C)cc1[N+](=O)[O-] 1173166 VIHMLZKCGZKUJN-UHFFFAOYSA-N 373.434 3.737 5 50 FHBA COCCCNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2ccccc21 4820990 GVJYYBQPZNXHEP-UHFFFAOYSA-N 369.421 3.636 5 50 FHBA CCS[C@@H]1CCC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 253426079 BDMMQOYHBCPOGP-CMPLNLGQSA-N 358.410 3.596 5 50 FHBA C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1cc([N+](=O)[O-])cn1 1069762 UZVVEHIQLFPIAH-SSDOTTSWSA-N 362.695 3.663 5 50 FHBA O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1Cc1ccco1 1163327 NQZYVRHEKZYOTL-UHFFFAOYSA-N 364.313 3.776 5 50 FHBA CSc1nnc2c(n1)O[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1-2 675515 MGHCEJUQKKUFMY-HNNXBMFYSA-N 367.390 3.672 5 50 FHBA Cc1ccc(-c2cc(=O)oc(-c3ccc(N(C)C)cc3)n2)cc1[N+](=O)[O-] 1182604 ZBTCPJFPMJXLPA-UHFFFAOYSA-N 351.362 3.651 5 50 FHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](Cc2ccccc2)[C@@H]1C 472352523 ZPMLZUMIXUQGGH-WMZOPIPTSA-N 367.449 3.795 5 50 FHBA C[C@@H](C(=O)N=c1cc(C2(C)CCCC2)o[nH]1)c1ccc([N+](=O)[O-])cc1F 448413482 KABHJHXCBZYRQH-LLVKDONJSA-N 361.373 3.718 5 50 FHBA O=[N+]([O-])c1cccnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 20405587 TXJWXRHOZQEWFW-UHFFFAOYSA-N 374.444 3.901 5 50 FHBA COc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 3108241 YUPGWHRQORAOCH-UHFFFAOYSA-N 355.375 3.979 5 50 FHBA O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br 3936850 MQBZVUNNWUIPMK-UHFFFAOYSA-N 352.144 3.707 5 50 FHBA in-vivo COc1ccc(CNC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4857921 GPXUFILJJSDRHV-UHFFFAOYSA-N 352.346 3.793 5 50 FHBA COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC 640264 RVBHVIRGZXRPRX-GOSISDBHSA-N 372.485 3.637 5 50 FHBA in-vitro CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)C1CC1 937853 IULPCXYWPOHHIC-UHFFFAOYSA-N 360.391 3.849 5 50 FHBA Cc1occc1C(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)c2ccoc2C)c1 4893167 YWDITZVVFDKOJK-UHFFFAOYSA-N 369.333 3.902 5 50 FHBA CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1OC 241776839 RTBSBXGIFSPDHB-XSEXMBABSA-N 374.437 3.557 5 50 FHBA O=c1[nH]nc(-c2ccccc2)c2cc3c(-c4ccccc4)nnc(O)c3cc12 842897 VLAFCNINGXWBEZ-UHFFFAOYSA-N 366.380 3.906 5 50 FHBA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]21 100186887 KOVFKYDUXJBVAW-HOJOPBEUSA-N 358.781 3.506 5 50 FHBA O=[N+]([O-])/C(=C\Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 3128151 UDUHIQMXWYLLNY-GXDHUFHOSA-N 372.324 3.667 5 50 FHBA O=C(CSc1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1O 4813916 AXYGLVIYIKZTHT-UHFFFAOYSA-N 361.404 3.641 5 50 FHBA COc1cccc(OCCNc2cc(N3CCCC3)ccc2[N+](=O)[O-])c1 4181012 VUPFUXXIHSWPHY-UHFFFAOYSA-N 357.410 3.695 5 50 FHBA CCCCOc1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 2991135 HZBXNEGIWJEGLN-UHFFFAOYSA-N 373.434 3.901 5 50 FHBA COc1cc(Br)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 1128786 RHZFZFFYJQOANE-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA CCOC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc(C)c1C 1215512 MISUIDATROSBAL-UHFFFAOYSA-N 362.407 3.631 5 50 FHBA O=C1C[C@@H](c2ccccc2)Sc2nc(-c3ccc([N+](=O)[O-])cc3)nn21 719386 OYJJJDIZMFTYRP-AWEZNQCLSA-N 352.375 3.731 5 50 FHBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C)o1 5337698 ZWTVNACLLCVFBB-LLVKDONJSA-N 363.801 3.501 5 50 FHBA CC(C)Oc1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 1173296 PAICQDIXSRMBCV-UHFFFAOYSA-N 359.407 3.509 5 50 FHBA O=[N+]([O-])c1cccc(COc2ccc(I)cc2)c1 1141243 DANXASDSKVLPGP-UHFFFAOYSA-N 355.131 3.778 5 50 FHBA Cc1cc(C)c(NC(=S)NC(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c1 3878130 SUBZQZGATBYLFQ-CMDGGOBGSA-N 355.419 3.738 5 50 FHBA CC1CCN(c2ccc(-c3n[nH]c(=O)c4ccccc34)cc2[N+](=O)[O-])CC1 3908825 PNEGUXGVJRQSJO-UHFFFAOYSA-N 364.405 3.735 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(Br)cc1 4524383 LZROIYVRVWYASC-UHFFFAOYSA-N 365.183 3.547 5 50 FHBA COc1ccccc1OCCNc1cc(N2CCCC2)ccc1[N+](=O)[O-] 4181131 RJCMTBIAXZEFEE-UHFFFAOYSA-N 357.410 3.695 5 50 FHBA O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccc([N+](=O)[O-])c1 885941 SEVDYBATEZQPPY-UHFFFAOYSA-N 359.345 3.581 5 50 FHBA CCN(CC)CCn1c2ccc([N+](=O)[O-])cc2c2cc([N+](=O)[O-])ccc21 2191366 GRXHSPDYFQLEAA-UHFFFAOYSA-N 356.382 3.953 5 50 FHBA CCCC(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 4774809 VKYWBURNJNDXCR-LLVKDONJSA-N 354.621 3.619 5 50 FHBA COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1C 4865806 NFOGPUIMOQENBC-UHFFFAOYSA-N 363.801 3.867 5 50 FHBA C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)C[C@H](C)O1 949106 MQCJWTDNHBARFK-KBPBESRZSA-N 364.405 3.819 5 50 FHBA Cc1cnc(NC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)s1 2762026 BVWGZESKHOGEJM-UHFFFAOYSA-N 359.363 3.784 5 50 FHBA COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC 4036964 HQPCRBWVNSJOFE-XBXARRHUSA-N 362.769 3.917 5 50 FHBA biogenic COc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1Br 1168096 DKRRVLVASIOGPX-UHFFFAOYSA-N 369.146 3.757 5 50 FHBA COc1cccc(OC)c1OCCOc1ccc([N+](=O)[O-])cc1Cl 2985881 JRFKPIKHLINENY-UHFFFAOYSA-N 353.758 3.723 5 50 FHBA O=C(OCC12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3897313 SGDSIRSJYXTFJF-UHFFFAOYSA-N 360.366 3.876 5 50 FHBA COC1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)CC1 328592736 BXGJIOKCBJLIQB-UHFFFAOYSA-N 352.456 3.736 5 50 FHBA CC[C@H](NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1cccc([N+](=O)[O-])c1 367598528 WCULDPCVDSFKMN-IKGGRYGDSA-N 372.425 3.816 5 50 FHBA COC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 1200308 ZIHGHAGRAZHUJC-JXMROGBWSA-N 372.402 3.584 5 50 FHBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 5090907 ISEWFCYYQIRWIW-UHFFFAOYSA-N 360.363 3.710 5 50 FHBA CCCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1 1144745 DKSNUUJNMXXLKS-UHFFFAOYSA-N 355.423 3.951 5 50 FHBA Cc1ccc(NC(=O)c2ccc(NC[C@@H]3CCCO3)c([N+](=O)[O-])c2)cc1 4706668 ZDZTWWWPKLPKHE-INIZCTEOSA-N 355.394 3.746 5 50 FHBA COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1OC 1145015 ULYBMDTYAJSRIN-UHFFFAOYSA-N 366.757 3.526 5 50 FHBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC[C@H]2CCCO2)c1 4998257 UZIISQQUSJEKAJ-MRXNPFEDSA-N 355.394 3.746 5 50 FHBA COc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c([N+](=O)[O-])c1 5792984 YWLBZAVYEUYFFS-UHFFFAOYSA-N 364.785 3.891 5 50 FHBA O=C(NC1CCCCC1)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] 1053218 DNZXDXLOFZLGAI-UHFFFAOYSA-N 367.405 3.910 5 50 FHBA O=C(Cc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1F 1183424 STXLWUKUPYYRMU-UHFFFAOYSA-N 353.147 3.678 5 50 FHBA CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1 1109891 WQKFKLDBZSFBQD-UHFFFAOYSA-N 367.361 3.633 5 50 FHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](Cc2ccccc2)[C@H]1C 472352522 ZPMLZUMIXUQGGH-SJLPKXTDSA-N 367.449 3.795 5 50 FHBA O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)Sc2nc(-c3ccc(F)cc3)nn21 1155912 WNRLSMXHPCPUNM-AWEZNQCLSA-N 370.365 3.870 5 50 FHBA O=C(Nc1nnc(/C=C/c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 5014166 DLVXJGAAQCMYMP-MDZDMXLPSA-N 352.375 3.869 5 50 FHBA Cc1cc(C(=O)Nc2ccc(Br)c(C)n2)ccc1[N+](=O)[O-] 1130400 GZKOBAULZVGXJU-UHFFFAOYSA-N 350.172 3.621 5 50 FHBA COc1ccccc1N1CC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2F)C1 461777695 NMKQNGFFZHBNNU-CQSZACIVSA-N 359.401 3.989 5 50 FHBA O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] 1171889 DPEBVJWJPFLFHP-UHFFFAOYSA-N 369.324 3.740 5 50 FHBA CC(C)CC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 5173121 NJQVMMGRZUNSCI-LBPRGKRZSA-N 368.648 3.865 5 50 FHBA Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2C[C@H](C)O[C@@H](C)C2)cc1 4978585 AUPNBNMVMZEFDS-GJZGRUSLSA-N 354.406 3.748 5 50 FHBA O=C(O)c1cc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)ccc1Cl 4995784 PZCSJGLGEDZPKQ-UHFFFAOYSA-N 360.709 3.796 5 50 FHBA O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 1173203 QKKMHUQGSBQVSI-UHFFFAOYSA-N 354.145 3.941 5 50 FHBA COc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1C 4695563 RAVYRUISGPKEJZ-UHFFFAOYSA-N 365.183 3.927 5 50 FHBA Cc1c(Nc2cccc(Br)c2[N+](=O)[O-])cnn1[C@H]1CCOC1 2325757672 IAXSSUYNLWCCMR-JTQLQIEISA-N 367.203 3.567 5 50 FHBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 4536819 GMOFJWBTWCJJOO-UHFFFAOYSA-N 374.462 3.547 5 50 FHBA CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1OC 247891818 BGNAOOHBTKJYFD-OUCADQQQSA-N 350.415 3.557 5 50 FHBA COc1ccc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1F 170875016 KPJRMWUIRLENHA-UHFFFAOYSA-N 367.764 3.760 5 50 FHBA Cc1ccc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1 2873586 RTMNHRAOGZPIPI-UHFFFAOYSA-N 368.418 3.674 5 50 FHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(Cl)cc2)CC1 998014 UQPUYOVXUSKZDE-RUDMXATFSA-N 371.824 3.610 5 50 FHBA Cn1c2ccccc2c2nnc(SCc3ccc([N+](=O)[O-])cc3)nc21 1134767 HSLLZECOJANARP-UHFFFAOYSA-N 351.391 3.717 5 50 FHBA Cc1cccc(NC(=O)c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)c1 4984069 ZUXPEEYVDZKXJO-MRXNPFEDSA-N 355.394 3.746 5 50 FHBA Cc1cccc(Oc2ccc(NC(=O)Cn3cc([N+](=O)[O-])c(C)n3)cc2)c1 253426692 NKHPDUPUOUVFMX-UHFFFAOYSA-N 366.377 3.839 5 50 FHBA Cc1ccc(OCc2ccc(C(=O)Nc3cc(C)on3)o2)c([N+](=O)[O-])c1 1019089 OLXYXZCONWTBBE-UHFFFAOYSA-N 357.322 3.624 5 50 FHBA CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CCC2 654700 OIJUQCQOGNUTGB-UHFFFAOYSA-N 374.418 3.882 5 50 FHBA CS(=O)(=O)c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1 1186983 MDPOZKJPVZGNEX-UHFFFAOYSA-N 360.416 3.698 5 50 FHBA CCc1cc2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])ncnc2s1 4320518 RNPOMMGENBAZDD-UHFFFAOYSA-N 374.447 3.893 5 50 FHBA COc1cccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 1235175 PKAAYDCYSMNETM-UHFFFAOYSA-N 355.375 3.979 5 50 FHBA O=C1c2ccccc2C(=O)N1CNc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 1221120 NILHAGBKQBYQMA-UHFFFAOYSA-N 373.368 3.927 5 50 FHBA biogenic COc1ccc([N+](=O)[O-])cc1COc1ccc2c3c(c(=O)oc2c1)CCC3 1138574 PYGRUGPCCRBLPG-UHFFFAOYSA-N 367.357 3.778 5 50 FHBA CCSc1nc2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])cc1 4149719 WYCDQFMBSPKWGF-UHFFFAOYSA-N 356.407 3.695 5 50 FHBA O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2c(c1)OCO2 2674860 DXQFSEZCKFDOJD-UHFFFAOYSA-N 369.358 3.699 5 50 FHBA Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(Br)c1 4037485 DHWLIAODPMBSJU-UHFFFAOYSA-N 365.183 3.683 5 50 FHBA CCn1c(=O)c([N+](=O)[O-])c(Nc2ccc(NC(C)=O)cc2)c2ccccc21 4188299 SGBRQZPYLBENHP-UHFFFAOYSA-N 366.377 3.632 5 50 FHBA O=[N+]([O-])c1ccc2c(c1)[C@H](O)n1nc(-c3ccc(Cl)cc3)nc1S2 2851510 SKFHLRGOBSIENT-AWEZNQCLSA-N 360.782 3.511 5 50 FHBA CCOc1ccc(NC(=O)c2ccc(Br)o2)c([N+](=O)[O-])c1 4423370 IXGSXGBHLTWJDJ-UHFFFAOYSA-N 355.144 3.601 5 50 FHBA aggregator Cc1ccc([C@@H]2N(c3ccc([N+](=O)[O-])cc3)C(=S)N3CCCN23)cc1 4845727 YABIUEWYLJPONW-KRWDZBQOSA-N 354.435 3.630 5 50 FHBA COC(=O)c1cn(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc12 1141340 IWGRYICHKWTVPG-LBPRGKRZSA-N 352.346 3.780 5 50 FHBA COc1cc(CN2CCC(Cc3ccccc3)CC2)cc([N+](=O)[O-])c1O 3109311 ZZUFZIBKYNMSCN-UHFFFAOYSA-N 356.422 3.764 5 50 FHBA CCOc1ccc(S(=O)(=O)Nc2cccc3c([N+](=O)[O-])cccc23)cc1 4980357 GWKDKTZTHFNGJX-UHFFFAOYSA-N 372.402 3.948 5 50 FHBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cc2ccccc2o1 4663525 JIWRGWYXPZQUHY-UHFFFAOYSA-N 355.375 3.776 5 50 FHBA O=C(CSc1ccsc1[N+](=O)[O-])Nc1cncc(Br)c1 1875253509 DSTBGDIBMMZTEI-UHFFFAOYSA-N 374.241 3.545 5 50 FHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1N1CCCCC1 1132701 GZPAHIGOVCCSQR-UHFFFAOYSA-N 355.394 3.603 5 50 FHBA COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc(-c2ccc(C)o2)n[nH]1 225851402 VSXRLYDZYSYCAB-UHFFFAOYSA-N 357.326 3.539 5 50 FHBA Cc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1NC(=O)C(C)C 1141164 XDWCAQWPBHIWKD-UHFFFAOYSA-N 356.378 3.855 5 50 FHBA O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1Cl 1115193 QRPCLVDQRFCEAZ-UHFFFAOYSA-N 374.809 3.943 5 50 FHBA COc1cc(Br)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 752646 IAPLBGSEROYVHC-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA COc1cc(-n2nnnc2-c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl 1392313 XLVJFQPMLBWRRH-UHFFFAOYSA-N 366.164 3.553 5 50 FHBA O=C(NSc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 3121895 ZPIMQCZMZVYVHA-UHFFFAOYSA-N 353.197 3.794 5 50 FHBA O=C(Nc1cccc2[nH]c(C(F)(F)F)nc12)c1cccc([N+](=O)[O-])c1 4625386 YVFJAQWQTDOMIQ-UHFFFAOYSA-N 350.256 3.742 5 50 FHBA COc1cc(NC(=O)c2ccc(Br)cc2)cc([N+](=O)[O-])c1 1230251 NHBIEGARCODVPO-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA Cc1cc(Br)ccc1OCC(=O)Oc1ccccc1[N+](=O)[O-] 4674870 MIOXDZYCKFJMOD-UHFFFAOYSA-N 366.167 3.650 5 50 FHBA COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)cc1C 672092 PJVSPOMPVWNRRH-UHFFFAOYSA-N 350.758 3.583 5 50 FHBA CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 3832829 SQLZNFSDWRPIEJ-UHFFFAOYSA-N 374.374 3.653 5 50 FHBA C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 5060018 FBMQCLBPIWNULU-SNVBAGLBSA-N 365.183 3.763 5 50 FHBA Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)c1 942632 HNBOWTQRJFDHOH-UHFFFAOYSA-N 365.183 3.683 5 50 FHBA COc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 1218915 BDWZQCXHNWOFTN-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA CC(=O)O[C@H](CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C[N+]1(C)CCCCC1 139341385 WHHNUCWBERIXGW-RCLSDMTESA-N 352.539 3.780 5 50 FHBA O=C(N/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1)c1ccco1 5017432 HNWOWFATUPXYRW-SFQUDFHCSA-N 374.356 3.992 5 50 FHBA O=C(NCCSCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 2983038 WKZVSODUBPWIAL-UHFFFAOYSA-N 350.827 3.911 5 50 FHBA COc1c(Cl)cccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 104230189 CQPVPWLBPPNSCG-UHFFFAOYSA-N 368.689 3.817 5 50 FHBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CCCC2 1200883 RFQDEBUMEBXRBB-UHFFFAOYSA-N 374.418 3.882 5 50 FHBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1C(=O)c1ccccc1 4575580 VELBZZSRJLLDKR-CYBMUJFWSA-N 359.813 3.599 5 50 FHBA Cc1ccc(N2C3=[N+](CCCCC3)C[C@@]2(O)c2cccc([N+](=O)[O-])c2)cc1 1188111 KIXLUYDEDWEOON-OAQYLSRUSA-N 366.441 3.554 5 50 FHBA COc1ccc(C(F)(F)F)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 4856464 RBZQZPFCXXVFEX-UHFFFAOYSA-N 370.283 3.640 5 50 FHBA Cc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] 5378331 KBTSTFRZNNBMKJ-UHFFFAOYSA-N 359.382 3.510 5 50 FHBA C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4071419 PMRIXSQNXAEKAA-JTQLQIEISA-N 365.183 3.763 5 50 FHBA Cc1ccc(-n2nc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 990044 CMTZRRVTTYTSQW-UHFFFAOYSA-N 373.372 3.889 5 50 FHBA CCc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 1205265 DABCDGGEVIFOID-UHFFFAOYSA-N 356.407 3.764 5 50 FHBA CCc1ccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 1910457 JFTBXMVTDQJKHS-UHFFFAOYSA-N 358.394 3.964 5 50 FHBA O=c1c2cc(Cl)cc(Cl)c2nc(S)n1-c1ccc([N+](=O)[O-])cc1 8729945 NZRHLWDIMGBJBA-UHFFFAOYSA-N 368.201 3.889 5 50 FHBA Cc1ccc(OCC(=O)Oc2ccccc2[N+](=O)[O-])c(Br)c1 674841 VRWVCASJLVGKOL-UHFFFAOYSA-N 366.167 3.650 5 50 FHBA CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2NC(=O)c2cccs2)CC1 1081010 PLHSLJVZJUFDMN-UHFFFAOYSA-N 373.434 3.781 5 50 FHBA CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4581455 IBUOYHXPGONYFX-KRWDZBQOSA-N 370.405 3.838 5 50 FHBA COc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1N1CCCCC1 5049578 MYGQCZRXMXASNX-UHFFFAOYSA-N 355.394 3.846 5 50 FHBA Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)Nc1ccccc1F 2796412 HYMHTZSOVHIKDP-UHFFFAOYSA-N 354.341 3.539 5 50 FHBA O=C(c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1)N1CCOCC1 991225 RFWJRGXAEVKGBN-UHFFFAOYSA-N 362.769 3.513 5 50 FHBA CC1CCN(c2cc(N3CCC(C)CC3)c3nonc3c2[N+](=O)[O-])CC1 4179536 UTTOWZUOWCOJOJ-UHFFFAOYSA-N 359.430 3.604 5 50 FHBA O=C1O[C@@H](Nc2cc(OCC(F)(F)F)cc([N+](=O)[O-])c2)c2ccccc21 2800534 MLLYFBGSBZJLJF-CQSZACIVSA-N 368.267 3.817 5 50 FHBA O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4881690 MDTNCJVMTJWIRQ-UHFFFAOYSA-N 369.465 3.894 5 50 FHBA C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c4CC[C@@H]3[C@H]1CCC2=O 105035582 OUTYSJWUIGIGQH-JTHWQDLVSA-N 360.366 3.634 5 50 FHBA COc1ccccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 939272 SDCPNOXPAPQLJK-UHFFFAOYSA-N 355.375 3.979 5 50 FHBA COc1ccccc1NC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 1828740 VXNQTSDKLKSMRY-UHFFFAOYSA-N 371.378 3.766 5 50 FHBA CC1CCN(c2ccccc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 4998948 PRUYQXCUZNXBAG-UHFFFAOYSA-N 369.421 3.849 5 50 FHBA O=C(Nc1ccc(Cl)cc1)c1cn(Cc2ccc([N+](=O)[O-])cc2)cn1 71775248 JVCGOPRBYKQELR-UHFFFAOYSA-N 356.769 3.745 5 50 FHBA O=C(NCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(F)cc1 4687288 ZUXSXKCZKCSOLM-UHFFFAOYSA-N 371.290 3.595 5 50 FHBA O=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1ccc(Cl)c([N+](=O)[O-])c1 2763504 MWUQQJXIWVLURN-UHFFFAOYSA-N 374.759 3.884 5 50 FHBA Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1 170090238 PIYRZSLRAMEZAE-QFYYESIMSA-N 366.776 3.548 5 50 FHBA O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc([N+](=O)[O-])o1 830426 LNOVJVCGPAKTTR-UHFFFAOYSA-N 350.290 3.643 5 50 FHBA CCC[C@H](C)c1nnc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 1049179 XVJIUICIAVUVLS-VIFPVBQESA-N 350.400 3.611 5 50 FHBA COc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1[N+](=O)[O-] 2872559 LCJHMXDMAKVVQL-UHFFFAOYSA-N 374.740 3.559 5 50 FHBA O=[N+]([O-])c1ccc(/C=C/c2nn3c(Cc4ccccc4)nnc3s2)cc1 4742577 ZTCSQKMMLJJVDZ-DHZHZOJOSA-N 363.402 3.855 5 50 FHBA O=C(O)[C@H](Cc1ccccc1)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 170612732 QGFPUSRJUXELMQ-SFHVURJKSA-N 366.373 3.640 5 50 FHBA O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCCO1 155764979 JPIRFWUHYIJTGW-UHFFFAOYSA-N 361.785 3.638 5 50 FHBA O=C(Nc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 2836320 YJYZBLHGLIXFFY-UHFFFAOYSA-N 351.318 3.692 5 50 FHBA CCC[C@H]1CCCCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 170594634 KJCRCJQSXXMMPZ-HNNXBMFYSA-N 356.426 3.718 5 50 FHBA O=[N+]([O-])c1ccc(O)c(Nc2ncnc3ccc(Br)cc23)c1 19792895 WQESQFPXLBRJRW-UHFFFAOYSA-N 361.155 3.750 5 50 FHBA CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 4701594 SDAJFACYEVDZGC-UHFFFAOYSA-N 359.407 3.509 5 50 FHBA O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 858007763 CQMIREQPTBGFAO-AWEZNQCLSA-N 374.828 3.963 5 50 FHBA COc1ccc(NC(=O)Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 4674692 SDJCTELKQZISIL-UHFFFAOYSA-N 365.183 3.547 5 50 FHBA Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1[N+](=O)[O-] 4840599 MSXIODVEJYGLCW-UHFFFAOYSA-N 367.405 3.782 5 50 FHBA COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c(Cl)c1 4795764 CMDRWYBXKPIVLX-UHFFFAOYSA-N 351.746 3.909 5 50 FHBA CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 3830916 MFZWMTSUNYWVBU-UHFFFAOYSA-N 356.491 3.661 5 50 FHBA biogenic,world Cc1ccc(NC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)nc1 6401185 UJAORJYPSOYFPQ-UHFFFAOYSA-N 353.334 3.723 5 50 FHBA CC(=O)O[C@@H](CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C[N+]1(C)CCCCC1 139341598 WHHNUCWBERIXGW-WERVVEIQSA-N 352.539 3.780 5 50 FHBA CCOc1ccc(CCNC(=O)Nc2ccccc2[N+](=O)[O-])cc1OCC 5065239 YFFANRQHYOOMIO-UHFFFAOYSA-N 373.409 3.756 5 50 FHBA Cc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1875319897 XKZDZECMAHLMPL-UHFFFAOYSA-N 371.374 3.956 5 50 FHBA CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2211481 LXGWHKBVMMELAB-UHFFFAOYSA-N 369.428 3.753 5 50 FHBA C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4071420 PMRIXSQNXAEKAA-SNVBAGLBSA-N 365.183 3.763 5 50 FHBA CCOC(=O)C[C@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(C)cc1 4653414 MBEJTFYSKMTNSG-INIZCTEOSA-N 370.405 3.636 5 50 FHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](Cc2ccccc2)[C@@H]1C 472352521 ZPMLZUMIXUQGGH-FUHWJXTLSA-N 367.449 3.795 5 50 FHBA CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]n1 159884785 WWNFWYWKKDHDSL-VIFPVBQESA-N 372.834 3.676 5 50 FHBA Cc1cccc(N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)c1C 1181638 MHNYXXLZJJDQHP-MDZDMXLPSA-N 365.433 3.574 5 50 FHBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 14254792 GVUNMHUWAIQFBN-UHFFFAOYSA-N 364.276 3.554 5 50 FHBA Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 4740900 IVZHZQNDCBSMQD-UHFFFAOYSA-N 359.813 3.519 5 50 FHBA O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Br)o1 652080 VXOUETKZAGMMIH-UHFFFAOYSA-N 368.168 3.812 5 50 FHBA Cc1ccc(-c2nc(N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1 1109800 PVZDYPCBPHULGO-UHFFFAOYSA-N 364.405 3.797 5 50 FHBA Cc1ccc(NC(=O)Nc2nnc(Cc3ccc([N+](=O)[O-])cc3)s2)cc1 8766504 PIYWGXWUNPNIGJ-UHFFFAOYSA-N 369.406 3.990 5 50 FHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccccc1Cl 1183557 RVDUBZOHRILQKZ-CMDGGOBGSA-N 361.810 3.775 5 50 FHBA O=[N+]([O-])c1ccc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)cc1 949100 WSTYMFXGRCOWBC-OAHLLOKOSA-N 350.378 3.796 5 50 FHBA COC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc(C)c1C 669513 BAWNYLYHGLXZIY-UHFFFAOYSA-N 368.798 3.965 5 50 FHBA COc1ccc(Cl)cc1NC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3086043 FJISPMMIFGUKRM-UHFFFAOYSA-N 366.717 3.809 5 50 FHBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(Cl)cc1 9358371 MUKOSFODXCPDDZ-UHFFFAOYSA-N 362.798 3.855 5 50 FHBA CCCOc1ccc(Nc2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])cc1 953016491 QNOQQBQAIASUQZ-UHFFFAOYSA-N 361.310 3.734 5 50 FHBA CCO[C@@H]1C[C@@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCCC2 170637042 VRQJYVMPXSIUSI-QZTJIDSGSA-N 371.437 3.886 5 50 FHBA CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc(OC)cc1 1216794 OCZUZXNRDMJLHT-GOSISDBHSA-N 353.378 3.691 5 50 FHBA COc1ccc2[nH]cc(CCNC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2c1 4814485 SJVHUUORKZQGNB-UHFFFAOYSA-N 373.796 3.711 5 50 FHBA Cc1ccc(-c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1C 5013320 VKKWVWUVKHNNHG-UHFFFAOYSA-N 354.391 3.982 5 50 FHBA O=[N+]([O-])c1cc2c(c(-c3nc(-c4cc5ccccc5[nH]4)no3)c1)OCCO2 1875336550 BLQYOQRZRWEMIK-UHFFFAOYSA-N 364.317 3.564 5 50 FHBA O=C(Nc1nc2ccc(F)cn2n1)c1cc2ccccc2c2cccnc12 225437840 QCGLOCWETHIPQM-UHFFFAOYSA-N 357.348 3.822 5 50 FHBA O=C(Nc1ccccc1)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1 1815156 DXMOGEJVRGLJCT-UHFFFAOYSA-N 355.379 3.681 5 50 FHBA aggregator O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCc2ccccc21 4821109 SWDKXAHBAXHGMX-UHFFFAOYSA-N 351.406 3.788 5 50 FHBA COCCNc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] 5064131 ZNOKMDLWKYBTBX-UHFFFAOYSA-N 363.801 3.867 5 50 FHBA CC(C)(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccccc1 753780 FMEUATDWKJMGPJ-SFHVURJKSA-N 358.438 3.635 5 50 FHBA CCOc1ccc(C(=O)Nc2cccc(NC(=O)CC)c2)cc1[N+](=O)[O-] 1209671 DTHOCUHWEVFWHC-UHFFFAOYSA-N 357.366 3.594 5 50 FHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 2763413 ONIDJRFOIGXIGS-UHFFFAOYSA-N 362.210 3.551 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Cl)c(C)c1 4725331 NSGOEEMHVVZXLP-UHFFFAOYSA-N 350.758 3.583 5 50 FHBA CC(=O)O[C@@H](CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C[N+]1(C)CCCCC1 139341455 WHHNUCWBERIXGW-ANTGDGSKSA-N 352.539 3.780 5 50 FHBA CCOc1c([N+](=O)[O-])cc2c(C)c(Br)c(=O)oc2c1OCC 3173049 JVHBOSSWLVHAQQ-UHFFFAOYSA-N 372.171 3.570 5 50 FHBA COc1ccc(OC)c(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1 3893624 WJWLLHNCKPUFJY-UHFFFAOYSA-N 359.381 3.521 5 50 FHBA CC1=C(C(=O)OC2CCCCCC2)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 4916862 MQIOZMYPOCKWDY-KRWDZBQOSA-N 372.421 3.738 5 50 FHBA COc1ccc(Cc2n[nH]c(SCc3ccc([N+](=O)[O-])cc3)n2)cc1 5049491 MFXHZQNBNKMPTC-UHFFFAOYSA-N 356.407 3.605 5 50 FHBA CCc1ccc(COc2cc(Br)cnc2C=O)cc1[N+](=O)[O-] 2325899449 FEXPIRYGUSTNCI-UHFFFAOYSA-N 365.183 3.706 5 50 FHBA O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(F)c1 1005388 RLCGEKFHZRONPN-UHFFFAOYSA-N 353.762 3.514 5 50 FHBA COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 1203985 JADBFTXHASGBNM-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA O=C(C[C@H](Cc1ccc(Cl)cc1)C(=O)O)Nc1ccc([N+](=O)[O-])cc1 4672822 YKHSFKYHHLUMCK-LBPRGKRZSA-N 362.769 3.520 5 50 FHBA O=C(C[C@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1)c1cccs1 430988929 NICXZEBOBVEROQ-CQSZACIVSA-N 360.435 3.773 5 50 FHBA C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2850636 VZSOJDYBNMUEFO-SNVBAGLBSA-N 365.183 3.763 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 4090488 IXZKUJUFTSUCEZ-UHFFFAOYSA-N 373.434 3.854 5 50 FHBA CCc1cccc(CC)c1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1113603 LOTJLVWEKPRAOK-UHFFFAOYSA-N 358.394 3.989 5 50 FHBA CCOC(=O)c1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 1120252 UQUFYDILNFFDPN-UHFFFAOYSA-N 363.753 3.782 5 50 FHBA O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cccc(C(F)(F)F)c1 2882036 OHUCCDUIZOBQTD-UHFFFAOYSA-N 357.313 3.739 5 50 FHBA COC(=O)c1c(C)oc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc12 1182232 DEBVCFPSYXNEMV-UHFFFAOYSA-N 355.302 3.655 5 50 FHBA biogenic O=C(Nc1ccc(Cl)cc1F)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 676233 MRFPZJHLCSDQKF-UHFFFAOYSA-N 374.759 3.884 5 50 FHBA O=C(COC(=O)c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 1170856 YUUXDBVNWOBSMQ-UHFFFAOYSA-N 354.145 3.941 5 50 FHBA COc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c(OC)cc1Cl 1131608 VVJBGNZIXFQLOE-UHFFFAOYSA-N 350.758 3.826 5 50 FHBA COc1ccc(C(=O)N2CC3(CCC3)c3c(F)cccc32)cc1[N+](=O)[O-] 170616385 RNQSXBGXJFYECV-UHFFFAOYSA-N 356.353 3.825 5 50 FHBA COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 1053031 GTUDZEIUGHHJAX-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cc1 4701827 AAYMXVINIYMAMM-UHFFFAOYSA-N 350.827 3.798 5 50 FHBA Cc1ccccc1CSCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 2815482 KFYVNKJORKTMDS-DHZHZOJOSA-N 356.447 3.966 5 50 FHBA Cc1ccc(N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]2C)cc1 2854072 CLTJAEIXEDUHGG-HNNXBMFYSA-N 354.410 3.646 5 50 FHBA CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1cccc([N+](=O)[O-])c1 1117358 FXPSYTNTHUHEBO-UHFFFAOYSA-N 374.809 3.917 5 50 FHBA CC1(C)CC(=O)c2sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc2C1 1128787 XNFYMMQYSRAFCF-VOTSOKGWSA-N 371.418 3.858 5 50 FHBA COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)(C)C)cc1 951452 UODIXUIRTQPGTE-UHFFFAOYSA-N 358.394 3.918 5 50 FHBA CCCC(=O)N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 2667180 CEJIZRUNPCIGNF-LLVKDONJSA-N 354.621 3.619 5 50 FHBA CCC[n+]1c(=O)c2ccccc2n2c(-c3ccc([N+](=O)[O-])cc3)csc21 1636097 OFZSVARGHJSEBQ-UHFFFAOYSA-N 366.422 3.787 5 50 FHBA Cc1ccc2[nH]c([C@H]3CCCN3CCOc3ccccc3[N+](=O)[O-])nc2c1 253431855 XVLQOPBGGMCENO-GOSISDBHSA-N 366.421 3.995 5 50 FHBA CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] 1146608 SLEJNTAXVLCYEK-UHFFFAOYSA-N 355.394 3.846 5 50 FHBA CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 4916867 MQIOZMYPOCKWDY-QGZVFWFLSA-N 372.421 3.738 5 50 FHBA O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 129627721 MMVAYGYBEWHLKT-UHFFFAOYSA-N 364.357 3.506 5 50 FHBA O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 5715171 JXFUWHHHRNHOLB-OQLLNIDSSA-N 356.359 3.537 5 50 FHBA COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(Cl)c([N+](=O)[O-])c1 19873933 QFZZCHYWHWUPFF-KRWDZBQOSA-N 357.797 3.973 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 4902836 GTYSCROAJOBLEL-NSHDSACASA-N 364.785 3.971 5 50 FHBA O=C(COc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1F 1172817 BGTYHRICJSPLQU-UHFFFAOYSA-N 369.146 3.514 5 50 FHBA COc1cc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1OC 4036960 KYVDYCIBVZHDHE-UHFFFAOYSA-N 366.757 3.526 5 50 FHBA Cc1ccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)cc1Cl 5028127 UWKUFVOUCDVPFK-LBPRGKRZSA-N 373.796 3.548 5 50 FHBA CCCC(=O)N[C@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 3018977 BOXPMWYWXSHDQN-LLVKDONJSA-N 355.605 3.586 5 50 FHBA O=C(O)[C@H](CSCc1ccccc1)NSc1ccccc1[N+](=O)[O-] 31719568 SRCCJCWCKMDQMO-ZDUSSCGKSA-N 364.448 3.578 5 50 FHBA in-vitro Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC[C@@H]2CCCO2)cc1 4872444 VDSVJAIHFNODNE-INIZCTEOSA-N 355.394 3.746 5 50 FHBA O=[N+]([O-])c1ccc(-c2cc(O)n3nc(-c4cccc(F)c4)cc3n2)cc1 5632274 LLDJLYPYFZXRTM-UHFFFAOYSA-N 350.309 3.816 5 50 FHBA O=[N+]([O-])c1c(NCc2ccccc2)cc(N2CCCCC2)c2nonc12 4131821 NPIYWVHIXKVKQA-UHFFFAOYSA-N 353.382 3.733 5 50 FHBA CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1 4701815 OVHCBNKWBULYLQ-UHFFFAOYSA-N 359.407 3.509 5 50 FHBA Cc1cc(C)c(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 4973909 IXRILSQYAXZHRN-UHFFFAOYSA-N 354.815 3.974 5 50 FHBA COC(=O)c1cn(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc12 1141341 IWGRYICHKWTVPG-GFCCVEGCSA-N 352.346 3.780 5 50 FHBA CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 2694977 NLDSKHPGYBVLTR-UHFFFAOYSA-N 374.447 3.910 5 50 FHBA O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl 4976830 HKJUOCQTZYGQQL-UHFFFAOYSA-N 354.193 3.744 5 50 FHBA C[C@H](C(=O)N=c1cc(C2(C)CCCC2)o[nH]1)c1ccc([N+](=O)[O-])cc1F 448413483 KABHJHXCBZYRQH-NSHDSACASA-N 361.373 3.718 5 50 FHBA CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(OC)cc1 1216795 OCZUZXNRDMJLHT-SFHVURJKSA-N 353.378 3.691 5 50 FHBA COc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 2850682 PPZDLOVRUOCDKL-UHFFFAOYSA-N 366.167 3.628 5 50 FHBA CCOc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1[N+](=O)[O-] 1165394 CIWLWHXIOBVOEK-UHFFFAOYSA-N 371.393 3.840 5 50 FHBA CCc1ccc(-c2nc(NC(C)=O)c3c(=O)oc4ccccc4c3n2)cc1 753968 MNXDOUASLDNKPU-UHFFFAOYSA-N 359.385 3.924 5 50 FHBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CCC2 996207 UBRZFPALQSODEM-UHFFFAOYSA-N 374.418 3.882 5 50 FHBA Cc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl 1181564 PLFJILZCPVHESP-UHFFFAOYSA-N 363.826 3.992 5 50 FHBA O=[N+]([O-])c1ccc(-n2ncnc2-c2ncc(C(F)(F)F)cc2Cl)cc1 261494825 KDEQEGOHXWQVOY-UHFFFAOYSA-N 369.690 3.910 5 50 FHBA O=C(Nc1cccc2cccnc12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 5027983 PTUDVHMBDKIGCR-UHFFFAOYSA-N 362.389 3.996 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@H]1CCCc2ccccc21 5041747 HLGBYTASZVOVNI-HNNXBMFYSA-N 357.435 3.967 5 50 FHBA CC(C)(C)Nc1nc(Nc2cccc([N+](=O)[O-])c2)nc(NC(C)(C)C)n1 755200 IYRQGZCLODFREK-UHFFFAOYSA-N 359.434 3.944 5 50 FHBA biogenic Cc1ccc(C(=O)Nc2ccc3nn(-c4cccc([N+](=O)[O-])c4)nc3c2)cc1 1218295 WHTCXWMEGMWMKX-UHFFFAOYSA-N 373.372 3.889 5 50 FHBA O=C(Oc1ccccc1)Oc1c(Cl)cc2oc(=O)sc2c1[N+](=O)[O-] 3659545 ITZAUZOJOIZEIM-UHFFFAOYSA-N 367.722 3.994 5 50 FHBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1 3894030 IVQRXLYUPBPQTO-UHFFFAOYSA-N 351.328 3.940 5 50 FHBA O=C(Nc1cc(F)ccc1F)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13961525 XWPDFJBJWQCLEM-UHFFFAOYSA-N 361.348 3.728 5 50 FHBA O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H]1C=C[C@H]2C1=C1CCCCC1 226939531 ARYQMOWMQUHBMY-CAMMJAKZSA-N 364.401 3.777 5 50 FHBA Cc1cccnc1NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 4840482 LNYLSYSGHIFBJJ-UHFFFAOYSA-N 354.410 3.931 5 50 FHBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 4090613 QTXAIRNIXMTVOQ-UHFFFAOYSA-N 351.387 3.875 5 50 FHBA CCOc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1 4893149 PCXSDDXZVVJFJS-UXBLZVDNSA-N 372.377 3.663 5 50 FHBA CCCCOc1cccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 5090795 ZHVVYMBYMRQQOI-UHFFFAOYSA-N 357.410 3.616 5 50 FHBA COc1cc(OC)c(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl 5041712 KGXHLKFOHOWGKO-UHFFFAOYSA-N 351.746 3.909 5 50 FHBA O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 18241443 JBCBGAQNGBPQBF-ROUUACIJSA-N 350.374 3.941 5 50 FHBA COC(=O)c1cn(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12 1170324 MBESVYRKJJTMEM-UHFFFAOYSA-N 358.737 3.678 5 50 FHBA CCOP(=O)(CCCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCC 71770107 UCCWDXXXZKJHEZ-UHFFFAOYSA-N 362.275 3.538 5 50 FHBA CCOc1cc(OCC)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 5103108 DCBUDYOXIWBYKA-UHFFFAOYSA-N 360.366 3.653 5 50 FHBA Cc1cc(C)c2c(N)c(C(=O)Nc3c(C)cccc3[N+](=O)[O-])sc2n1 4709453 NMLZFWBMFMLPID-UHFFFAOYSA-N 356.407 3.964 5 50 FHBA CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 17076209 ZNNXTWVOFDXTFL-KRWDZBQOSA-N 372.421 3.738 5 50 FHBA CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c1 878039 RGUPKGLMCHIULH-LLVKDONJSA-N 373.434 3.941 5 50 FHBA COC(=O)[C@H](C)Oc1cccc2c1ccc1c3c(c(=O)oc12)CCCC3 3902498 HSUYTLOTSJEVLP-LBPRGKRZSA-N 352.386 3.765 5 50 FHBA Cc1ccc(NC(=O)c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)cc1 4706669 ZDZTWWWPKLPKHE-MRXNPFEDSA-N 355.394 3.746 5 50 FHBA COc1cc(C=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1178718 JMRWZNXBNCLLRP-UHFFFAOYSA-N 366.167 3.757 5 50 FHBA Nc1c(C(=O)c2ccc(Br)cc2)oc2cc([N+](=O)[O-])ccc12 2581160 RNOBWEKCGACXCG-UHFFFAOYSA-N 361.151 3.917 5 50 FHBA O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1cccnc1 828808 AXTRVMBQUXPSLO-UHFFFAOYSA-N 361.313 3.583 5 50 FHBA Cc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 4841574 YCMVFQGIQODXHG-UHFFFAOYSA-N 359.813 3.519 5 50 FHBA Cc1cccc(N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)c1C 4756028 STIBSOWTUNZFOG-UHFFFAOYSA-N 370.478 3.731 5 50 FHBA Cc1cc([N+](=O)[O-])nn1CC(=O)N1c2ccccc2C=Cc2ccccc21 6668606 DQFNTMUQCDMJIS-UHFFFAOYSA-N 360.373 3.948 5 50 FHBA O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)c1ccc2c(c1)OCO2 630250 MEJSSMHTIYPYHZ-UHFFFAOYSA-N 374.348 3.937 5 50 FHBA biogenic O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccccn1 1233583 ZWTGBNXZKGJSFI-UHFFFAOYSA-N 361.313 3.583 5 50 FHBA Cc1ccc(Sc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 1386986 AZAJNZQLQOFTEP-UHFFFAOYSA-N 358.419 3.527 5 50 FHBA COc1ccc(C(C)(C)c2ccc(Oc3nc([N+](=O)[O-])nn3C)cc2)cc1 4721139 LNFRRBMTOVYSFY-UHFFFAOYSA-N 368.393 3.850 5 50 FHBA O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccccc1[N+](=O)[O-] 4809043 WSYMIEFYRLXNGE-UHFFFAOYSA-N 372.768 3.870 5 50 FHBA COC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc(C)c1C 1200668 BAUGTRWGHLIOCR-RMKNXTFCSA-N 360.391 3.712 5 50 FHBA CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4581454 IBUOYHXPGONYFX-QGZVFWFLSA-N 370.405 3.838 5 50 FHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cc2ccncc2)cc1 11700494 DTOKMHJMSULUGS-UHFFFAOYSA-N 363.373 3.598 5 50 FHBA O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 1177388 QGYFIWJTQHUWAS-UHFFFAOYSA-N 353.762 3.514 5 50 FHBA CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1OC 247891823 BGNAOOHBTKJYFD-YRGRVCCFSA-N 350.415 3.557 5 50 FHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2)o1 4681950 GOHCTXVTQSSUTP-UHFFFAOYSA-N 370.390 3.684 5 50 FHBA O=c1cc(-c2ccc3c(c2)OCCCCO3)oc2ccc([N+](=O)[O-])cc12 2090482 RNTGRZFKALLLRA-UHFFFAOYSA-N 353.330 3.920 5 50 FHBA CCCOc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC 2841329 KQLYRJZSDHQTGK-UHFFFAOYSA-N 374.393 3.582 5 50 FHBA Cc1ccc(CSCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 2979545 LQUQZIWWZWSABR-MDZDMXLPSA-N 356.447 3.966 5 50 FHBA O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc([N+](=O)[O-])cc1 4838872 XHFUJFKZLRDBCX-UHFFFAOYSA-N 367.405 3.863 5 50 FHBA COc1ccc(Br)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 1176582 QGBKEZQRQYXYEI-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 4696324 ACUJAZISLZNADN-UHFFFAOYSA-N 371.393 3.984 5 50 FHBA CC(C)[C@H](C)N(Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(F)(F)F 328596062 PXTQKWIVOMEQMC-NSHDSACASA-N 362.348 3.870 5 50 FHBA COc1ccc(NC(=O)Cc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 5063718 IMMMWKATWPCRED-UHFFFAOYSA-N 369.402 3.908 5 50 FHBA COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc(C)c1C 1023516 OSMFCFLMNVSBPT-UHFFFAOYSA-N 368.798 3.965 5 50 FHBA CCS[C@@H]1CCC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 253426103 BDMMQOYHBCPOGP-ZYHUDNBSSA-N 358.410 3.596 5 50 FHBA O=C(C[S@](=O)c1ccccc1[N+](=O)[O-])Oc1ccc(Cl)cc1Cl 1113653 NKZKOUAGTNGFKO-HSZRJFAPSA-N 374.201 3.615 5 50 FHBA O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)ccc1NC[C@H]1CCCO1 3904833 AUWNPLFSKLQHNC-OAHLLOKOSA-N 366.377 3.903 5 50 FHBA CC1CCN(c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 4998943 VZOWDXXBMKYQCB-UHFFFAOYSA-N 369.421 3.849 5 50 FHBA O=[N+]([O-])c1ccc([C@@H](O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 1738464 OMTOHUADTUJUHA-AWEZNQCLSA-N 361.354 3.610 5 50 FHBA O=C(SCCn1c(=O)sc2ccccc21)c1ccc([N+](=O)[O-])cc1 5740018 GVIVIVZOUAAEJK-UHFFFAOYSA-N 360.416 3.545 5 50 FHBA COc1cc(Br)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 1137811 ZXPHIWKYWWDRSM-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 1188490 WXDXWBZUOMXBIS-UHFFFAOYSA-N 360.391 3.574 5 50 FHBA O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1cc2ccccc2o1 1177970 ZIGRNHTXXFUXSM-UHFFFAOYSA-N 359.338 3.607 5 50 FHBA O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)CN(c3ccccc3)N2)cc1 33902991 BBXGBRVXVDRHGA-UHFFFAOYSA-N 359.389 3.745 5 50 FHBA Cc1cc(OCC(=O)N2CCC[C@@H](C)C2)cc2oc(=O)c3ccccc3c12 2843743 POMCGKVUZBVNHO-CQSZACIVSA-N 365.429 3.892 5 50 FHBA CCOc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OCC 674889 FOGPDXBXGHFTPY-UHFFFAOYSA-N 374.393 3.582 5 50 FHBA Cc1ccc(C(=O)CSc2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 1127673 CNGMNWITQJJSQX-UHFFFAOYSA-N 355.375 3.928 5 50 FHBA CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 4856120 DSSOZMHKGCHKLW-UHFFFAOYSA-N 355.394 3.638 5 50 FHBA O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCCc2ccccc21 4821187 CSYQRGTYIWCPBT-UHFFFAOYSA-N 351.406 3.788 5 50 FHBA O=c1oc2ccccc2n1Cc1csc(-c2ccc([N+](=O)[O-])cc2)n1 6764652 SFRPRRYYJJRCMC-UHFFFAOYSA-N 353.359 3.675 5 50 FHBA O=[N+]([O-])c1c(I)ccc(Br)c1Cl 36532737 XETSYSSPRVSLRK-UHFFFAOYSA-N 362.348 3.615 5 50 FHBA O=[N+]([O-])c1ccc(-c2nc(NC[C@@H]3CCCO3)c3ccccc3n2)cc1 949101 WSTYMFXGRCOWBC-HNNXBMFYSA-N 350.378 3.796 5 50 FHBA Cc1ccc(-c2noc(CCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 1062780 SEGNIKGNNUPXMO-UHFFFAOYSA-N 352.350 3.525 5 50 FHBA Cc1ccc(NC(=O)CCC(=O)OCc2cccc([N+](=O)[O-])c2)cc1C 1135904 NKYUQZWIGIWLKF-UHFFFAOYSA-N 356.378 3.674 5 50 FHBA Cc1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1 1211739 UFFJEPDTIKEZRH-UHFFFAOYSA-N 355.375 3.928 5 50 FHBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)n1 4748715 BTGOSIVPIREPGQ-UHFFFAOYSA-N 354.410 3.931 5 50 FHBA Cc1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1Cl 1112959 JLAIHYGPCKZXNM-UHFFFAOYSA-N 373.840 3.827 5 50 FHBA COc1ccc(NC(=O)c2ccccc2Br)c([N+](=O)[O-])c1 4948066 FFXCMVBCBQHGCP-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA O=C(/N=c1\sc([N+](=O)[O-])cn1Cc1ccccc1)Nc1ccccc1 71767339 IIVGNWQSPVVBCX-ZPHPHTNESA-N 354.391 3.639 5 50 FHBA CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]n1 159884669 WWNFWYWKKDHDSL-SECBINFHSA-N 372.834 3.676 5 50 FHBA CCOC(=O)[C@H](Cc1ccccc1)c1ccnn1-c1cccc([N+](=O)[O-])c1 4091977 YSYBUNJBMFQDEN-GOSISDBHSA-N 365.389 3.670 5 50 FHBA O=C(C[S@@](=O)c1ccccc1[N+](=O)[O-])Oc1ccc(Cl)cc1Cl 54251750 NKZKOUAGTNGFKO-QHCPKHFHSA-N 374.201 3.615 5 50 FHBA Cc1c(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)oc2ccccc12 1178180 KPMRPBGKUXGYSD-UHFFFAOYSA-N 373.365 3.915 5 50 FHBA Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 5013801 WAWCFCMTJQUWTD-UHFFFAOYSA-N 363.826 3.992 5 50 FHBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 55543122 GNXSUADCBVPQLJ-UHFFFAOYSA-N 365.355 3.936 5 50 FHBA COc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 904703 OXZIRDOOWKLZRZ-UHFFFAOYSA-N 355.375 3.979 5 50 FHBA O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1O 1062768 HXBJIFUMQMJIHJ-UHFFFAOYSA-N 352.799 3.826 5 50 FHBA C[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc([N+](=O)[O-])cc1 1141309 BQEMKVRRGFERND-CQSZACIVSA-N 373.840 3.701 5 50 FHBA Cc1c(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)oc2ccccc12 1178610 YFMMYAXZHFQGKA-UHFFFAOYSA-N 355.375 3.776 5 50 FHBA O=C(Nc1cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c1)c1ccco1 2764361 ASFWVWSCOVPZKK-UHFFFAOYSA-N 362.235 3.719 5 50 FHBA CN(C)C(=O)N[C@H](Sc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 3130633 FZZRGKDVCXVUIU-SECBINFHSA-N 372.661 3.654 5 50 FHBA CC(=O)c1ccc(N2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 4923879 PJRQNLBTCAGURK-GQCTYLIASA-N 365.433 3.633 5 50 FHBA CC(C)[C@@H](C)N(Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(F)(F)F 328596061 PXTQKWIVOMEQMC-LLVKDONJSA-N 362.348 3.870 5 50 FHBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCCc1ccccc1 1210936 VAQSQWNVMJRCJX-UHFFFAOYSA-N 373.459 3.656 5 50 FHBA O=[N+]([O-])c1ccc(O)cc1CSc1nnc(Cc2ccccc2F)o1 239667154 BPDKNCOECUQGJJ-UHFFFAOYSA-N 361.354 3.706 5 50 FHBA COc1cc(OC)c(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl 8942260 JMSWKTCZVSJJJN-UHFFFAOYSA-N 350.758 3.826 5 50 FHBA COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)c([N+](=O)[O-])cc1OC 1191418 OIOJLMCCMGMQPM-UHFFFAOYSA-N 350.758 3.826 5 50 FHBA COc1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c(OC)cc1Cl 1135418 CLSHOJNEIHIVDJ-BQYQJAHWSA-N 362.769 3.917 5 50 FHBA O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1nccs1 842487 JZPSBSCNSMKONN-UHFFFAOYSA-N 367.342 3.644 5 50 FHBA Cc1ccc(Cn2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 1056283 NWUOCVIPGHCQGM-UHFFFAOYSA-N 350.378 3.709 5 50 FHBA Cc1ccc(C)c(OC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c1C 1077397 AZXWUEUCLBZHPR-UHFFFAOYSA-N 353.330 3.846 5 50 FHBA CCOC(=O)CCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1O 4582291 FRQVFXNBQLENFU-UHFFFAOYSA-N 366.414 3.923 5 50 FHBA Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12)CCCC3 4958140 AAEYTMMNWWKSKZ-UHFFFAOYSA-N 368.418 3.918 5 50 FHBA COc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 4964432 UFDQDHHWJLUMMY-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 4834341 QJCGQJUIFXJLDB-SNVBAGLBSA-N 365.183 3.763 5 50 FHBA Cc1cccc(C)c1NC(=O)CCC(=O)OCc1ccc([N+](=O)[O-])cc1 1135884 PRWSVNXTVIFIKN-UHFFFAOYSA-N 356.378 3.674 5 50 FHBA COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(Br)cc1 669900 OARHXJUWBOYGSZ-UHFFFAOYSA-N 365.183 3.547 5 50 FHBA Cc1c(C(=O)Nc2nnc(CCc3ccccc3)s2)cccc1[N+](=O)[O-] 1153087 JSPQFFCSOHTTIM-UHFFFAOYSA-N 368.418 3.792 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 4903989 RMHZTUHJSVFFAA-UHFFFAOYSA-N 362.210 3.551 5 50 FHBA Cc1nc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)sc1C 45068013 CKMVBGLVWFDUPG-UHFFFAOYSA-N 364.408 3.540 5 50 FHBA O=C(CSc1nnc(COc2ccccc2)o1)c1cccc([N+](=O)[O-])c1 1077589 KZKXJTSLPNWXLZ-UHFFFAOYSA-N 371.374 3.532 5 50 FHBA C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2850635 VZSOJDYBNMUEFO-JTQLQIEISA-N 365.183 3.763 5 50 FHBA O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1cccc(C(F)(F)F)c1 3879051 XFFWBQCYZYFXER-UHFFFAOYSA-N 369.215 3.802 5 50 FHBA C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 4834340 QJCGQJUIFXJLDB-JTQLQIEISA-N 365.183 3.763 5 50 FHBA Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cccc([N+](=O)[O-])c1 1053930 NBJHLTUCYIQJQD-UHFFFAOYSA-N 368.368 3.848 5 50 FHBA CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+](=O)[O-] 3824468 YUVNGBZROXQYQH-UHFFFAOYSA-N 371.418 3.681 5 50 FHBA in-vivo C[C@H]1CCCN(c2cc(Nc3ccccc3O)c([N+](=O)[O-])c3nonc23)C1 4754371 NMYVIPLKRRMZKR-NSHDSACASA-N 369.381 3.817 5 50 FHBA CCCCc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 17073011 WSHUNAQRGRQERP-UHFFFAOYSA-N 352.387 3.877 5 50 FHBA O=[N+]([O-])c1ccc(N2CCCC2)cc1N1CCN(Cc2ccccc2)CC1 55208222 QIBVRMSHSNEASG-UHFFFAOYSA-N 366.465 3.517 5 50 FHBA O=[N+]([O-])c1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 55543780 QYGCVZZOHWULMS-UHFFFAOYSA-N 371.384 3.997 5 50 FHBA O=[N+]([O-])c1ccc([C@@H](O)Cn2nc(-c3ccc(F)cc3)oc2=S)cc1 2597851 VCJDUAGBIWFOND-AWEZNQCLSA-N 361.354 3.653 5 50 FHBA O=C(CCC(=O)OCc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 4865425 OUYRCPLUZMRCCN-UHFFFAOYSA-N 362.769 3.710 5 50 FHBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(OCc2ccccc2)cc1 2818598 NGHVUTFIQVYELU-UHFFFAOYSA-N 374.352 3.974 5 50 FHBA O=C(OCc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1cnccn1 2868650 DMSVOBOJVPAQQX-UHFFFAOYSA-N 367.386 3.893 5 50 FHBA C[C@@H](OC(=O)NCCc1c[nH]c2ccc(O)cc12)c1ccccc1[N+](=O)[O-] 98052564 KUEQXJVRVDFKJY-GFCCVEGCSA-N 369.377 3.812 5 50 FHBA in-vitro O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1Br 4532472 MPVMIWDETLWHAU-UHFFFAOYSA-N 366.127 3.518 5 50 FHBA CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 4581520 DMLRYCMHCRQZGL-KRWDZBQOSA-N 370.405 3.838 5 50 FHBA Cc1c(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] 4805775 FGAAHFJAPKRYPX-UHFFFAOYSA-N 367.405 3.782 5 50 FHBA CC(C)(C)OC(=O)Nc1cc(I)cc([N+](=O)[O-])c1 71788954 WYGVIKBMRWQNJH-UHFFFAOYSA-N 364.139 3.546 5 50 FHBA O=[N+]([O-])c1ccc(CO[C@@H]2C[C@@H]3[C@H]4[C@H]5[C@@H]6CC[C@@H]5[C@H]([C@H]63)[C@H]42)c([N+](=O)[O-])c1 247342470 SSCFFSIWRCZBKK-GZWDEHQKSA-N 356.378 3.556 5 50 FHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)(F)F)cc1 1217581 ZUDUHHZBJQUUDD-UHFFFAOYSA-N 356.256 3.511 5 50 FHBA C[C@H](c1ccco1)N(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccn1 17446574 HRPDYESAZQHKFY-CQSZACIVSA-N 367.361 3.756 5 50 FHBA O=C(NC[C@@H](O)c1cccc(F)c1)c1cc([N+](=O)[O-])cc(Cl)c1Cl 225705031 ZPDAIILIORCLNQ-CYBMUJFWSA-N 373.167 3.504 5 50 FHBA COc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1 2860836 SDIVMSVENIHGNL-NSHDSACASA-N 364.785 3.513 5 50 FHBA Cc1cc(C)c2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2c1 2912119 PIGQNDFGCRWOGD-UHFFFAOYSA-N 372.362 3.982 5 50 FHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Br)s1 1055906 KJUXXNMVTXCYAR-UHFFFAOYSA-N 357.185 3.680 5 50 FHBA O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccccn1 4792853 CBFITDAALUOZHA-JLHYYAGUSA-N 370.368 3.859 5 50 FHBA O=C(Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccco1 1132187 YSARMLOCFYKICN-UHFFFAOYSA-N 366.329 3.797 5 50 FHBA COCCNc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] 4838170 WYTLLVFVXAZSKY-UHFFFAOYSA-N 363.801 3.867 5 50 FHBA COc1cc(OC)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1Cl 1122789 CYUONWFOVIYNDO-UHFFFAOYSA-N 366.757 3.526 5 50 FHBA O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)CCC2 2512887 LPCHIYRMRVGBFU-UHFFFAOYSA-N 352.799 3.538 5 50 FHBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(Cn2cc(Cl)cn2)c1 2759759 SNRFXQHULPRCKE-UHFFFAOYSA-N 374.759 3.884 5 50 FHBA O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 100052170 OEJUHHGUMHIUBB-UHFFFAOYSA-N 371.309 3.547 5 50 FHBA biogenic COc1cc(C=O)cc(Br)c1OCc1ccccc1[N+](=O)[O-] 1053166 RWICYMZEVUGINB-UHFFFAOYSA-N 366.167 3.757 5 50 FHBA COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 4719186 KNRBXQGBJBLXMF-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1Cl 4800784 FWPOQORETJBFPO-UHFFFAOYSA-N 354.681 3.940 5 50 FHBA O=C(Nc1cccc2[nH]c(C(F)(F)F)nc12)c1ccc([N+](=O)[O-])cc1 4625385 RELUXRWSWGLFMJ-UHFFFAOYSA-N 350.256 3.742 5 50 FHBA COc1ccccc1N1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O 15011162 DXNDQQFOORUHMR-DHDCSXOGSA-N 372.358 3.550 5 50 FHBA COc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c([N+](=O)[O-])c1 4702874 ZVPRHPWVNLVOET-UHFFFAOYSA-N 350.758 3.583 5 50 FHBA O=c1[nH]nc(-c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c2ccccc12 35966676 WULZNJAIOUHOGN-UHFFFAOYSA-N 364.405 3.879 5 50 FHBA COC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCCC2 1111958 BBRSFLBIRYSPBG-UHFFFAOYSA-N 374.418 3.964 5 50 FHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(-c2ccccc2)noc1C 1147131 XBRZSINYXCGKMN-UHFFFAOYSA-N 353.334 3.819 5 50 FHBA Cc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 4699983 QXNLMDKURHHCSY-UHFFFAOYSA-N 370.390 3.684 5 50 FHBA Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 1148350 PDOFYSKIXZNUAH-UHFFFAOYSA-N 373.840 3.827 5 50 FHBA NS(=O)(=O)c1ccc(CNc2ccnc3cc4ccccc4cc23)cc1 1505267 ARGIMXGPJRDXHY-UHFFFAOYSA-N 363.442 3.648 5 50 FHBA O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2oc1=O 4833683 WKWZWOQJTHFWJG-UHFFFAOYSA-N 359.721 3.712 5 50 FHBA Cc1cc2occ(CC(=O)Nc3ncc([N+](=O)[O-])s3)c2cc1Cl 4868350 JGFQQZRVCYVEQD-UHFFFAOYSA-N 351.771 3.941 5 50 FHBA O=C(CCC(=O)OCc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 4865429 KFWNAYCQYHYWSA-UHFFFAOYSA-N 362.769 3.710 5 50 FHBA O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 1157365 LEYHSXNQCGYETJ-UHFFFAOYSA-N 373.796 3.737 5 50 FHBA Cc1ccc(C(=O)NC(=S)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] 1049945 WHAFVKMEJCFNTP-UHFFFAOYSA-N 367.789 3.823 5 50 FHBA CCCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCC2 2089771 VMPCIDRQNKPLOS-UHFFFAOYSA-N 374.418 3.964 5 50 FHBA O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cc1 2764414 FNFOGDMCQZSPLB-UHFFFAOYSA-N 356.769 3.745 5 50 FHBA CCCCC(=O)Nc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 2833588 AZYHGXBDBJDASM-UHFFFAOYSA-N 371.393 3.741 5 50 FHBA COc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)c([N+](=O)[O-])c1 4265139 QYCGFTXIOFQGPX-UHFFFAOYSA-N 353.334 3.819 5 50 FHBA Cc1cc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc([N+](=O)[O-])c1 230141633 ZKGZRPIPOOHSHQ-UHFFFAOYSA-N 373.372 3.889 5 50 FHBA O=C(c1ccccc1Oc1ccc([N+](=O)[O-])cc1Cl)N1CCOCC1 784154 AHUVKVZMKUSUTB-UHFFFAOYSA-N 362.769 3.513 5 50 FHBA O=C(CCC(=O)OCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl 1136056 WRELRRQRYVCIDA-UHFFFAOYSA-N 362.769 3.710 5 50 FHBA CCc1cc(=O)oc2cc(OCc3cc([N+](=O)[O-])ccc3OC)ccc12 1152495 SFKYHKRSQNNSLR-UHFFFAOYSA-N 355.346 3.851 5 50 FHBA CC1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1 4998569 BZLKYOPREYDDHM-UHFFFAOYSA-N 369.421 3.849 5 50 FHBA COc1cccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1 1166255 OREYDSZLECYBFB-MHWRWJLKSA-N 370.386 3.840 5 50 FHBA CCCCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 2819358 CZXHJFADSTUKKP-UHFFFAOYSA-N 371.393 3.984 5 50 FHBA O=C(COc1ccc([N+](=O)[O-])cc1Cl)NC12CC3CC(CC(C3)C1)C2 5118648 FRATYXVPQAXUEK-UHFFFAOYSA-N 364.829 3.712 5 50 FHBA COC(=O)c1c(C)oc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc12 942065 LENUKTZXHNQFEG-UHFFFAOYSA-N 355.302 3.655 5 50 FHBA biogenic COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 951450 HCASRPXDZZVJTO-UHFFFAOYSA-N 364.785 3.891 5 50 FHBA CCCC(=O)Nc1ccccc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 1120853 SCQFCRWWYQEYET-UHFFFAOYSA-N 357.366 3.594 5 50 FHBA COc1ccccc1N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 55543957 DVQAETAAGAOFIB-UHFFFAOYSA-N 361.829 3.579 5 50 FHBA Cc1cc(N2CCC(Nc3cccnc3)CC2)c2cccc([N+](=O)[O-])c2n1 1875257214 DGEDPDQHMPVSMX-UHFFFAOYSA-N 363.421 3.927 5 50 FHBA CCOC(=O)c1ccc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1 6783924 LGJDOAZNSAQJJO-UHFFFAOYSA-N 354.318 3.622 5 50 FHBA COc1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1508490 BYGUTCNSTUYRAG-UHFFFAOYSA-N 355.375 3.979 5 50 FHBA O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1176850 GRZGXFUDEWHUIZ-UHFFFAOYSA-N 353.762 3.514 5 50 FHBA O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc([N+](=O)[O-])o1 4150578 KCSCYIVJVSRGFZ-UHFFFAOYSA-N 350.290 3.643 5 50 FHBA CC[C@H](NC(=O)CCn1ncc([N+](=O)[O-])c1C)C12CC3CC(CC(C3)C1)C2 8480539 LNLKRMSIPJMYSX-LMFLDHGRSA-N 374.485 3.601 5 50 FHBA COc1ccc(C)cc1-n1ccc2c(cnc3nc4ccccc4n32)c1=O 22607833 QJEBJIVKGHOZOB-UHFFFAOYSA-N 356.385 3.504 5 50 FHBA CN1CCC[C@@H]1Cc1c[nH]c2ccc(Nc3ncccc3[N+](=O)[O-])cc12 3793347 YPFIYPNOWVPAPR-OAHLLOKOSA-N 351.410 3.851 5 50 FHBA in-vitro O=C(Nc1sccc1C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 1055391 HZWMNFKTJFPHLC-UHFFFAOYSA-N 357.347 3.754 5 50 FHBA CCOc1ccc(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 1207364 VJCWLMNRJBHXNC-UHFFFAOYSA-N 350.168 3.987 5 50 FHBA COc1cc2c(cc1OC)CN(Cc1cc(Cl)ccc1[N+](=O)[O-])CC2 22779306 ZRGTYPJZUIEZLK-UHFFFAOYSA-N 362.813 3.824 5 50 FHBA O=[N+]([O-])c1ccc(CCNc2nccn3nc(-c4ccccc4)cc23)cc1 1875324354 UQLPBVWHPLMYFD-UHFFFAOYSA-N 359.389 3.959 5 50 FHBA CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 1184214 CXYFUVZBVZNBRT-YBEGLDIGSA-N 370.386 3.840 5 50 FHBA C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)C[C@@H](C)O1 13582374 MQCJWTDNHBARFK-OKILXGFUSA-N 364.405 3.819 5 50 FHBA CCc1ccc(OCCNc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1 4819805 DWMYALNTYIWGGH-UHFFFAOYSA-N 354.362 3.755 5 50 FHBA biogenic,in-vitro CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 13330177 IVUIAPNJUWMEGS-HNNXBMFYSA-N 354.815 3.678 5 50 FHBA Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(Cl)cc1 2886212 FTKHGHFXVKQZMT-UHFFFAOYSA-N 357.197 3.825 5 50 FHBA COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] 6249190 KCKFYNCXHRQOFR-UHFFFAOYSA-N 355.394 3.846 5 50 FHBA CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 1186607 QQPSYRUGEZGNFY-YBEGLDIGSA-N 370.386 3.840 5 50 FHBA CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 2811390 QBHQZDCADRKIPP-UHFFFAOYSA-N 372.377 3.813 5 50 FHBA Cc1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1Cl 1071965 VAOZHCDIHHFIGB-UHFFFAOYSA-N 359.813 3.519 5 50 FHBA Cc1cc(Br)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 1202622 ZCXJKHLMGKXBCR-UHFFFAOYSA-N 365.183 3.683 5 50 FHBA O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)Nc1ccccc1F 1833435 NKSKGLXIJYCQSR-UHFFFAOYSA-N 359.342 3.896 5 50 FHBA Cc1ccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)cc1Cl 5028126 UWKUFVOUCDVPFK-GFCCVEGCSA-N 373.796 3.548 5 50 FHBA Cc1ccc([C@@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1C 1054729 OFLNETGFNIZIGM-CYBMUJFWSA-N 366.373 3.809 5 50 FHBA Cc1cccc(Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 2844483 UNWXNWGWGWRBBX-UHFFFAOYSA-N 354.391 3.598 5 50 FHBA COc1ccc(Br)cc1COC(=O)c1ccc([N+](=O)[O-])cc1 1000116 LXKSFCUKXLCXLU-UHFFFAOYSA-N 366.167 3.723 5 50 FHBA Cc1ccc(NC(=O)c2ccc(Cn3nc([N+](=O)[O-])c(Cl)c3C)o2)cc1 2764372 UCXHROCPMINVMR-UHFFFAOYSA-N 374.784 3.955 5 50 FHBA Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H](O)c1ccc(F)cc1 170090244 PIYRZSLRAMEZAE-MGPLVRAMSA-N 366.776 3.548 5 50 FHBA COc1ccc(C(=O)Oc2ccccc2[N+](=O)[O-])cc1Br 674839 YVFJTDAWMSSVFS-UHFFFAOYSA-N 352.140 3.585 5 50 FHBA COc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1 2872915 TUTFKQIOTHPXAR-UHFFFAOYSA-N 357.391 3.870 5 50 FHBA CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 4551429 WMSFLBNITRTYDQ-UHFFFAOYSA-N 359.407 3.509 5 50 FHBA CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 13330175 IVUIAPNJUWMEGS-OAHLLOKOSA-N 354.815 3.678 5 50 FHBA O=C(NCCNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 4474183 XSDDCRBBITUJHM-UHFFFAOYSA-N 354.193 3.744 5 50 FHBA Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] 1175549 GQGUZYHWUIUQSI-UHFFFAOYSA-N 367.405 3.782 5 50 FHBA Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(-n2nc3ccccc3n2)c1 1303493 HOKJWIQVBZTBLY-UHFFFAOYSA-N 374.356 3.856 5 50 FHBA O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc([N+](=O)[O-])o1 830445 DOORHQWJCPTFKV-UHFFFAOYSA-N 365.301 3.954 5 50 FHBA Cc1ccc([C@]23C[C@H]2CN(C(=O)CCc2ccccc2[N+](=O)[O-])C3)cc1 2325782976 QFWPDUBHOOODFJ-GHTZIAJQSA-N 350.418 3.636 5 50 FHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(Br)c1 674493 YGMMTPZUULJIIJ-UHFFFAOYSA-N 365.183 3.927 5 50 FHBA Cc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1Cl 1115096 YATLVFFYYGJCKX-UHFFFAOYSA-N 373.840 3.827 5 50 FHBA COC(=O)c1cc(C(=O)Nc2nc3ccc(C)cc3s2)cc([N+](=O)[O-])c1 1180660 VUMZYIAQZOBHMZ-UHFFFAOYSA-N 371.374 3.552 5 50 FHBA Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3ncccc3c2)cc1[N+](=O)[O-] 2069179 KXXJVFMPAXUEPZ-UHFFFAOYSA-N 352.306 3.612 5 50 FHBA O=C(OCC(=O)c1ccccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 1121323 QHJSDBMBGFFAIE-UHFFFAOYSA-N 354.145 3.941 5 50 FHBA COc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 4902342 SSUQIAALXQCELE-JTQLQIEISA-N 350.758 3.663 5 50 FHBA CC(C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 1056747 VDGHXMYUUZEIEQ-UHFFFAOYSA-N 361.785 3.639 5 50 FHBA O=C(COC(=O)c1ccc2c3c(cccc13)CC2)c1ccc([N+](=O)[O-])cc1 1178691 FCCDCQOIVPASEW-UHFFFAOYSA-N 361.353 3.886 5 50 FHBA CCCCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1852882 OWVBGHBYHONZQX-UHFFFAOYSA-N 357.362 3.813 5 50 FHBA Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C)cc1 4560844 KKUXIRBMWNDCHJ-CQSZACIVSA-N 373.840 3.908 5 50 FHBA CC(=O)Oc1ccc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C)oc2c1 2576213 QQFJOBXIGIQEQN-UHFFFAOYSA-N 355.302 3.727 5 50 FHBA biogenic Cc1oc(C(C)(C)C)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3894052 IWPPDZHPMQERAI-UHFFFAOYSA-N 371.437 3.756 5 50 FHBA O=[N+]([O-])c1ccc2c(c1N1CCC(Oc3ccc(F)cc3)CC1)CCN2 170602003 XACRVYWFEFVQIE-UHFFFAOYSA-N 357.385 3.750 5 50 FHBA COc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] 1126843 OQYWMOXYTFWQFX-UHFFFAOYSA-N 355.394 3.846 5 50 FHBA COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 1192004 WUIFEWGROQFZNQ-UHFFFAOYSA-N 370.283 3.883 5 50 FHBA CCO[C@@H]1C[C@@H](NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C12CCCCC2 170678986 VVRUCPXBNXHRDC-HZPDHXFCSA-N 368.380 3.731 5 50 FHBA CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C)c1CC 1113586 QEUVOBRRFMOAMG-UHFFFAOYSA-N 362.407 3.956 5 50 FHBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)c1 14254855 JYGVSKWROAKUAH-UHFFFAOYSA-N 364.276 3.554 5 50 FHBA CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccc([N+](=O)[O-])cc1 4989920 JNHHAORIYCGJKA-UHFFFAOYSA-N 372.377 3.627 5 50 FHBA O=C(NCCCNc1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 4546621 KEWAVAZIEXIJII-UHFFFAOYSA-N 351.765 3.619 5 50 FHBA Cc1ccnc(NCc2cccnc2-n2cnc3ccccc32)c1[N+](=O)[O-] 253418855 BJZHQEJURPVQQQ-UHFFFAOYSA-N 360.377 3.644 5 50 FHBA Cc1nn(C(=O)c2ccncc2)c(C)c1Sc1ccccc1[N+](=O)[O-] 955231 ZSGGRRJEZMRXEY-UHFFFAOYSA-N 354.391 3.643 5 50 FHBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccc(Cl)cc1Cl 1196842 VDZFXDGOELSDDS-UHFFFAOYSA-N 351.145 3.698 5 50 FHBA Cc1cccc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)c1 4814593 SBBDXXWZMUNUED-UHFFFAOYSA-N 368.418 3.674 5 50 FHBA CCCOc1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 2984816 OBTOLAXSWQTRQF-UHFFFAOYSA-N 359.407 3.510 5 50 FHBA CC(C)C(=O)Nc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 1138806 GNNJXLAJJNEMRG-MDZDMXLPSA-N 353.378 3.841 5 50 FHBA CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 1183952 XDIUPZUPGZBXIO-YBEGLDIGSA-N 370.386 3.840 5 50 FHBA Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] 649727 CMAYDJNYJPAZQZ-UHFFFAOYSA-N 359.813 3.519 5 50 FHBA CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C 4809530 VWESZLIHNIBJEU-UHFFFAOYSA-N 370.814 3.756 5 50 FHBA O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 55062912 LPVCFPLUVQZBOK-UHFFFAOYSA-N 365.355 3.936 5 50 FHBA CCC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@](O)(c2ccc(Cl)cc2)C1 825697 ONALEILBEBSSML-SFHVURJKSA-N 373.796 3.705 5 50 FHBA O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(Cl)c1 2978786 BJOMYZHQHWJXDN-UHFFFAOYSA-N 353.762 3.514 5 50 FHBA C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1 731528227 CZCFPDPPHGVYGB-SECBINFHSA-N 351.717 3.816 5 50 FHBA CC1(C)CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@]2(CCCOC2)O1 408339128 OBROZULEFBHZAE-INIZCTEOSA-N 374.359 3.778 5 50 FHBA Cc1cc(C)c(NC(=O)CSc2nncc3ccccc23)c([N+](=O)[O-])c1 4698048 AMDUZEZLOPMACM-UHFFFAOYSA-N 368.418 3.886 5 50 FHBA Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(Br)c1 939324 PKQMIELZPIRMJC-UHFFFAOYSA-N 365.183 3.683 5 50 FHBA CCOc1cc2c(cc1OCC)[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 17073569 QYVRWMVTOHRERQ-CQSZACIVSA-N 356.378 3.866 5 50 FHBA COc1ccc(-c2n[nH]c(SCc3ccc(OC)c([N+](=O)[O-])c3)n2)cc1 6645367 KYTVRSYBRQEBPA-UHFFFAOYSA-N 372.406 3.689 5 50 FHBA CC[C@]12CCC[N@@+]3(CC)CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]23 252441042 BYDKBTXPTYHQQH-LCXINAFSSA-O 367.513 3.980 5 50 FHBA biogenic O=C(CSc1nccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 1051197 CSCSDFCPHUMHNW-UHFFFAOYSA-N 353.403 3.815 5 50 FHBA C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cc([N+](=O)[O-])cn1 1421983 KKDZVQAQUQQIHX-SSDOTTSWSA-N 362.695 3.663 5 50 FHBA CCn1c(Cc2ccccc2)nnc1Sc1ccc(C=O)cc1[N+](=O)[O-] 2870504 URUUYJXYXSIIJK-UHFFFAOYSA-N 368.418 3.761 5 50 FHBA O=C1S/C(=C\c2cccc(F)c2)C(=O)N1CNc1cccc([N+](=O)[O-])c1 334163609 YUHDFWUIWYEGKH-NVNXTCNLSA-N 373.365 3.840 5 50 FHBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1 4755239 CZEBSINLEKBISR-UHFFFAOYSA-N 359.813 3.519 5 50 FHBA CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 4912907 RKEVNMFKAGKHMN-CYBMUJFWSA-N 356.378 3.866 5 50 FHBA CCCCn1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O 40398819 VJAALUFKLYANBN-UHFFFAOYSA-N 373.456 3.754 5 50 FHBA O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1cccc2ccccc12 1177760 RJWFNMTUPUKXLT-UHFFFAOYSA-N 351.387 3.875 5 50 FHBA COc1ccc(Cc2cnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 851443 DXHADNDBFOJQBU-UHFFFAOYSA-N 369.402 3.903 5 50 FHBA Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)o1 857086 FNNALZAXSVQEFZ-UHFFFAOYSA-N 370.390 3.684 5 50 FHBA COc1ccc(NC(=O)COc2cccc3ccccc23)c([N+](=O)[O-])c1 4699072 INGIPRMQXAHKBE-UHFFFAOYSA-N 352.346 3.774 5 50 FHBA O=C(N1N=C(c2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1)C(F)(F)F 252484823 GIVQROMJZINFPO-OAHLLOKOSA-N 363.295 3.835 5 50 FHBA COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 834236 JZIACAOHSOXLMK-UHFFFAOYSA-N 354.406 3.698 5 50 FHBA Cc1ccc(NC(=O)c2ccn(COc3ccccc3[N+](=O)[O-])n2)c(C)c1 2800467 NHORYFGXHFZMBE-UHFFFAOYSA-N 366.377 3.697 5 50 FHBA CC[C@]12CCC[N@+]3(CC)CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]23 252441040 BYDKBTXPTYHQQH-KELBGUDLSA-O 367.513 3.980 5 50 FHBA biogenic COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc(C)c1C 1115042 VZYXDXHKEZUETE-BQYQJAHWSA-N 360.391 3.712 5 50 FHBA O=C(CSc1cc(N2CCCC2)ccc1[N+](=O)[O-])Nc1ccccc1 4561038 BGYDBTGFLHQWPK-UHFFFAOYSA-N 357.435 3.926 5 50 FHBA COc1ccccc1N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 55543043 CJEGRVQDNULVBP-UHFFFAOYSA-N 361.829 3.579 5 50 FHBA Cc1c(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])oc2ccccc12 4090565 KNQDJHWGXSORBF-UHFFFAOYSA-N 355.375 3.776 5 50 FHBA COCCOc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1 4869963 YLPJIXCFBUVXNH-UHFFFAOYSA-N 350.758 3.526 5 50 FHBA CCC[C@@H](C)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n[nH]1 491550360 XXKAMRAWBTXUHI-SNVBAGLBSA-N 366.443 3.639 5 50 FHBA Cc1cc(OCC(=O)c2cccc([N+](=O)[O-])c2)c2c(C)c(C)c(=O)oc2c1 2856150 NRWNTPVCCTWHKK-UHFFFAOYSA-N 367.357 3.888 5 50 FHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(CN2CCCCC2)cc1 4993513 PETYAVJHPJMMDK-UHFFFAOYSA-N 369.421 3.598 5 50 FHBA CC(=O)O[C@H](CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C[N+]1(C)CCCCC1 136609354 WHHNUCWBERIXGW-XODKDNOYSA-N 352.539 3.780 5 50 FHBA CCSc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5062973 FBQRAUYWPYPYIE-UHFFFAOYSA-N 371.462 3.669 5 50 FHBA C[C@H]1CCCN(c2cc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c3nonc23)C1 169617263 UVMSNKSWMRQCFR-QWHCGFSZSA-N 359.430 3.604 5 50 FHBA O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 3039371 NFDZNTFHWGFZHH-UHFFFAOYSA-N 367.405 3.910 5 50 FHBA Cc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(O)cc2)c1[N+](=O)[O-] 4256249 XCYXORSQESTCIS-UHFFFAOYSA-N 353.338 3.592 5 50 FHBA Cc1[nH]c2ccccc2c1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 71930749 YEDFBRQOCFPXSO-UHFFFAOYSA-N 350.422 3.707 5 50 FHBA N=c1c2c(=O)oc3ccccc3c2ccn1CCc1c[nH]c2ccccc12 1848443207 YXUWXUTUSGISKE-UHFFFAOYSA-N 355.397 3.951 5 50 FHBA Cc1c(Nc2cccc(Br)c2[N+](=O)[O-])cnn1[C@@H]1CCOC1 2325757673 IAXSSUYNLWCCMR-SNVBAGLBSA-N 367.203 3.567 5 50 FHBA O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1C1CC1 2802153 GCIKTCGLQGOYFF-UHFFFAOYSA-N 353.403 3.932 5 50 FHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4820705 TXEZNWDDUZUQII-GFCCVEGCSA-N 373.796 3.548 5 50 FHBA Cc1ccc(-c2nc3ccc(Br)cc3c(=O)o2)cc1[N+](=O)[O-] 977722 QOQFYRQZYNEKOS-UHFFFAOYSA-N 361.151 3.834 5 50 FHBA O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(Br)cn2)cc1 5041957 MBMAJNKORMOQSR-UHFFFAOYSA-N 353.201 3.561 5 50 FHBA COc1ccc([N+](=O)[O-])cc1NC1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 101000434 UEORSABWIKKTGT-JYJNAYRXSA-N 357.454 3.692 5 50 FHBA CN(C)Cc1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 436094347 STCBQYFCWJQCBM-UHFFFAOYSA-N 371.440 3.995 5 50 FHBA CCOc1ccccc1OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 783707 NMTZCQIZAFXHKT-UHFFFAOYSA-N 373.390 3.621 5 50 FHBA O=[N+]([O-])c1cc(-c2ncc(C(F)(F)F)cc2Cl)cc([N+](=O)[O-])c1O 81225773 KWDJGIOMIPYYOO-UHFFFAOYSA-N 363.635 3.943 5 50 FHBA Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H](O)c1ccc(F)cc1 170090245 PIYRZSLRAMEZAE-QLJPJBMISA-N 366.776 3.548 5 50 FHBA CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 17076222 MUXBQGJCPDGCOJ-QGZVFWFLSA-N 372.421 3.596 5 50 FHBA CCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2ccc(C)cc12 5672976 HJBCULALBKBWAF-UHFFFAOYSA-N 352.346 3.564 5 50 FHBA Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccc([N+](=O)[O-])c1 1140815 URSQHLGTSFLKKD-UHFFFAOYSA-N 372.381 3.504 5 50 FHBA CCCC(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 2733988 QSRPDJBCSMCSMA-UHFFFAOYSA-N 357.366 3.594 5 50 FHBA Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 837618 KWCUYJSFZWJSCJ-GFCCVEGCSA-N 373.796 3.548 5 50 FHBA COc1cccc(NC(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)c1 1168682 LGGDGXLXDYVFQV-UHFFFAOYSA-N 371.378 3.766 5 50 FHBA COc1cccc(/C=C/C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)c1OC 252441466 WVJHZWSGUPUPNC-OZECJGNBSA-N 374.501 3.669 5 50 FHBA biogenic O=C(c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1)N1CCOCC1 1140768 FWDWCZBLORTLKT-UHFFFAOYSA-N 362.769 3.513 5 50 FHBA O=[N+]([O-])c1cc(Br)c(Cl)cc1I 67796618 FAASTNUYSNSGHG-UHFFFAOYSA-N 362.348 3.615 5 50 FHBA Cn1nc([N+](=O)[O-])nc1Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4686202 SMMIUUCWJIEBRH-UHFFFAOYSA-N 354.410 3.983 5 50 FHBA CSc1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 104230874 ZITLQFIBZHKQNE-UHFFFAOYSA-N 350.312 3.877 5 50 FHBA Cc1nc2ncccn2c1-c1csc(Nc2cccc([N+](=O)[O-])c2)n1 888705 PXJUMXJUXBISHW-UHFFFAOYSA-N 352.379 3.813 5 50 FHBA CC(C)CC(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 5173124 NJQVMMGRZUNSCI-GFCCVEGCSA-N 368.648 3.865 5 50 FHBA Cc1ccc(Sc2nc([N+](=O)[O-])nn2CC(=O)c2ccccc2)cc1 1134801 KBSOLSPFUMNRLB-UHFFFAOYSA-N 354.391 3.529 5 50 FHBA COc1c(O)ccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)c1[N+](=O)[O-] 2890660 DANCBDZDVYEYIE-CQSZACIVSA-N 364.357 3.936 5 50 FHBA COC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2 687041 COTHJVVAZMHQTJ-UHFFFAOYSA-N 360.391 3.574 5 50 FHBA Cc1ccc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)cc1Cl 1429846 BFGLXIWHDIXSJW-UHFFFAOYSA-N 350.806 3.789 5 50 FHBA O=[N+]([O-])c1cccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)c1 1115215 ZEZKQXFCYOXPRT-UHFFFAOYSA-N 361.854 3.746 5 50 FHBA Cc1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])cc1F 52507960 AYCCCHHJWYDDMN-UHFFFAOYSA-N 353.394 3.854 5 50 FHBA CC(C)(C)NC(=O)c1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 1215837 ONHVVGXZHMPWRR-FMIVXFBMSA-N 367.405 3.775 5 50 FHBA COc1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC 1191722 SDMLZYDYOVGWNK-UHFFFAOYSA-N 366.757 3.526 5 50 FHBA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ncc([N+](=O)[O-])s1 4151124 RKXMPSCTGRFVJB-UHFFFAOYSA-N 364.770 3.920 5 50 FHBA O=C(NCCNc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1Cl 4558016 DDCGCJLAYGCWMU-UHFFFAOYSA-N 354.193 3.744 5 50 FHBA COc1cc(/C=C/c2nc3ccc(C(=O)O)cc3s2)cc([N+](=O)[O-])c1O 225458296 WXOWJUYDARFSRH-GORDUTHDSA-N 372.358 3.787 5 50 FHBA COc1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 1209562 ZBMCVBWXTLEOGH-UHFFFAOYSA-N 373.368 3.970 5 50 FHBA O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc([N+](=O)[O-])cc1 885943 XQJWOUAKQYDDSV-UHFFFAOYSA-N 359.345 3.581 5 50 FHBA CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 1171105 KERVKICZMAJZTK-UHFFFAOYSA-N 359.407 3.509 5 50 FHBA O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc([N+](=O)[O-])o1 917720 DVCOSFGUZDERBQ-UHFFFAOYSA-N 357.347 3.754 5 50 FHBA Cc1ccc(OCCNc2cc(N3CCOCC3)ccc2[N+](=O)[O-])cc1C 4181142 GFPPLUROIGPOGO-UHFFFAOYSA-N 371.437 3.539 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1Sc2ccccc2N=C1O 17015379 WLQXPBDBMRRUSV-OAHLLOKOSA-N 373.390 3.695 5 50 FHBA COC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 754888 SXBRHVFCFSGWEI-UHFFFAOYSA-N 369.160 3.941 5 50 FHBA Cc1cc(C(F)(F)F)nc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1 1079552 BTAJOKGKDKNSRN-UHFFFAOYSA-N 357.313 3.687 5 50 FHBA Cc1cccc(N2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)c1C 998331 IKSXIOUOAIWLAB-UHFFFAOYSA-N 373.840 3.827 5 50 FHBA C[C@@H](c1ccco1)N(C(=O)COc1ccccc1[N+](=O)[O-])c1ccccn1 17446571 HRPDYESAZQHKFY-AWEZNQCLSA-N 367.361 3.756 5 50 FHBA Cc1c(-c2nc(-c3ccc(Br)o3)no2)cccc1[N+](=O)[O-] 1445773 VJXANKHYBVAAHQ-UHFFFAOYSA-N 350.128 3.976 5 50 FHBA CCc1ccc(OCCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 4041904 MBDCDCOCWRJXKA-UHFFFAOYSA-N 358.394 3.964 5 50 FHBA Cc1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])c(Br)c1 4037484 DJZRETXIKQRSOA-UHFFFAOYSA-N 365.183 3.683 5 50 FHBA Cc1ccc(OCc2ccc(C(=O)Nc3cccnc3)o2)c([N+](=O)[O-])c1 12649501 NJJIAXNIPDUXMV-UHFFFAOYSA-N 353.334 3.723 5 50 FHBA O=C(O)[C@@H](Cc1ccccc1)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 170612733 QGFPUSRJUXELMQ-GOSISDBHSA-N 366.373 3.640 5 50 FHBA CC(=O)[C@H](C)Oc1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 1134028 DKNRTPRVEOWASV-LBPRGKRZSA-N 353.330 3.725 5 50 FHBA COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)C(C)C 1110899 ZPUKUMOXMNRBFR-UHFFFAOYSA-N 371.393 3.759 5 50 FHBA CCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 4695297 QKOBDDBTOSKLLX-OQLLNIDSSA-N 374.374 3.920 5 50 FHBA CSc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 72136736 MYKVWKVGMUFQHI-UHFFFAOYSA-N 350.312 3.877 5 50 FHBA CC1(C)CC(=O)c2sc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])nc2C1 12655455 SVSUVQGQICHTAJ-BQYQJAHWSA-N 371.418 3.858 5 50 FHBA O=[N+]([O-])c1ccc(CO[PH](=O)OCc2ccc([N+](=O)[O-])cc2)cc1 150655157 WJQSWTFHQWGDJM-UHFFFAOYSA-N 352.239 3.626 5 50 FHBA CC(C)(C)OC(=O)N[C@H]1CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CC1 263622937 CGVROTVJIMUQHX-OTVXOJSOSA-N 364.398 3.588 5 50 FHBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccn(Cc2ccc(Cl)cc2)n1 1055960 ONNQMKRRUQFHDE-UHFFFAOYSA-N 370.796 3.674 5 50 FHBA CCOC(=O)COc1cccc2c1ccc1c3c(c(=O)oc12)CCCC3 3902497 KGMQOEPBCFBMCX-UHFFFAOYSA-N 352.386 3.767 5 50 FHBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 1002572 ZOBOHTCYVNRKDO-UHFFFAOYSA-N 362.695 3.736 5 50 FHBA O=C(CSc1nnc(Cc2ccccc2)o1)c1ccc([N+](=O)[O-])cc1 1111207 UNYKMSFHPVLPNQ-UHFFFAOYSA-N 355.375 3.544 5 50 FHBA O=C(COc1ccc(Br)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 1198273 DNFWONGQLLRJSK-UHFFFAOYSA-N 369.146 3.514 5 50 FHBA COc1ccc(Br)cc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1219136 MFGHXRYMPZWVQM-UHFFFAOYSA-N 369.146 3.757 5 50 FHBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cnn(Cc2ccc(Cl)cc2)c1 4749430 PURMSRIQDSWSRL-UHFFFAOYSA-N 370.796 3.674 5 50 FHBA O=c1c(Cl)c2oc3cc(N4CCOCC4)ccc3nc-2c2ccccc12 3879184 VAKRTGVNWBKSMG-UHFFFAOYSA-N 366.804 3.936 5 50 FHBA Cn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc2ccccc12 17076246 ZJHAWAWVFIPXDP-UHFFFAOYSA-N 372.435 3.551 5 50 FHBA COc1cc(C=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1205918 RLRATJYEOSPFBN-UHFFFAOYSA-N 366.167 3.757 5 50 FHBA CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2 973518 FKDQUCOHPVTDTF-UHFFFAOYSA-N 374.418 3.964 5 50 FHBA CCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 4561069 HVYHGHMGTFXVNI-UHFFFAOYSA-N 359.407 3.510 5 50 FHBA CCOc1ccc2nc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)sc2c1 6242786 WUHLPPGNRSTFLC-UHFFFAOYSA-N 373.390 3.864 5 50 FHBA COCCCNc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 5050448 LKVLUPQKFMVMFT-UHFFFAOYSA-N 363.801 3.949 5 50 FHBA COc1ccc(OCCNc2cc(N3CCCC3)ccc2[N+](=O)[O-])cc1 4131958 LZBRNZMKKKGKFE-UHFFFAOYSA-N 357.410 3.695 5 50 FHBA O=[N+]([O-])c1cccnc1NCCNc1ncc(C(F)(F)F)cc1Cl 20366010 ZVZGCHWOUJKNOM-UHFFFAOYSA-N 361.711 3.581 5 50 FHBA Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1Br 1156939 RNBLPWCYKMOITO-UHFFFAOYSA-N 365.183 3.683 5 50 FHBA COc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-] 2845951 KFKWAXZEXAIBGE-UHFFFAOYSA-N 362.210 3.551 5 50 FHBA Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1[N+](=O)[O-] 4822492 FZADMTCPPRPIQV-UHFFFAOYSA-N 365.183 3.683 5 50 FHBA COc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cc1OC 4833515 ORXJVSDKQVVNCN-UHFFFAOYSA-N 351.742 3.622 5 50 FHBA O=[N+]([O-])c1ccc(COc2ccc(I)cc2)cc1 2537663 GRXNZZJAKOZNMN-UHFFFAOYSA-N 355.131 3.778 5 50 FHBA Cc1c(NC(=O)COc2ccc(Br)cc2)cccc1[N+](=O)[O-] 674346 DMKGZSNTTWTIMS-UHFFFAOYSA-N 365.183 3.683 5 50 FHBA CCc1c(C(=O)N(C)c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 158005761 GFWGNDROFPXCPF-UHFFFAOYSA-N 368.368 3.759 5 50 FHBA O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc([N+](=O)[O-])o1 800764 SWLQAKOUPZETBK-UHFFFAOYSA-N 350.290 3.643 5 50 FHBA O=[N+]([O-])c1ccccc1-c1ccc(NC(=S)NC[C@H]2CCCO2)cc1 2777689 UWNALLYHXSQLBG-OAHLLOKOSA-N 357.435 3.727 5 50 FHBA CCO[C@@H]1C[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCCC2 170637040 VRQJYVMPXSIUSI-ZWKOTPCHSA-N 371.437 3.886 5 50 FHBA O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 681020 VAJFGEBFYFTKEZ-UHFFFAOYSA-N 353.762 3.514 5 50 FHBA CCc1ccccc1OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 790705 YHNXLYKKNHZBAW-UHFFFAOYSA-N 357.391 3.784 5 50 FHBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nnc(Cc2ccccc2)s1 4596735 KSGCOKBWLVZQRK-UHFFFAOYSA-N 355.379 3.681 5 50 FHBA COc1ccc(NC(=S)Nc2ccc(F)cc2[N+](=O)[O-])cc1OC 5041276 VNNFHRJFWOUDGV-UHFFFAOYSA-N 351.359 3.560 5 50 FHBA O=C(Cc1ccc(Br)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 1180648 SMNGARXYZMJHGG-UHFFFAOYSA-N 353.147 3.678 5 50 FHBA COC(=O)c1cn(C(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc12 1299433 PBWIPGIKGLPJJA-UHFFFAOYSA-N 358.737 3.678 5 50 FHBA COc1cc2c(cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1)CCCC2 1137693 ITINXFXKGUCEJW-UHFFFAOYSA-N 356.378 3.743 5 50 FHBA C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c4CC[C@H]3[C@H]1CCC2=O 105035586 OUTYSJWUIGIGQH-XLVADTIASA-N 360.366 3.634 5 50 FHBA O=C1C[C@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 4118284 MJJZUWHRZHPHST-AWEZNQCLSA-N 362.794 3.672 5 50 FHBA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)O)cc1[N+](=O)[O-] 3187972 UFBIFLLBASDUOK-CSKARUKUSA-N 365.345 3.554 5 50 FHBA CNC(=O)c1ccc(N2CCC[C@]2(C)Cc2ccccc2)c([N+](=O)[O-])c1 170596911 QWRBNGFYICAHTL-HXUWFJFHSA-N 353.422 3.556 5 50 FHBA CCOc1cc2c(cc1OCC)[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2 4912915 TWCGQUAIASWYBF-AWEZNQCLSA-N 356.378 3.866 5 50 FHBA O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cccc([N+](=O)[O-])c1 4977060 DQRXPEDSIUVACS-UHFFFAOYSA-N 351.318 3.692 5 50 FHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)(F)F)cc1 5094695 DCMUIHRSPSITCT-UHFFFAOYSA-N 356.256 3.511 5 50 FHBA O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2810897 FINRIDGSPWFCAH-UHFFFAOYSA-N 355.228 3.774 5 50 FHBA CCO[C@H]1C[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C12CCCC2 170637041 VRQJYVMPXSIUSI-ROUUACIJSA-N 371.437 3.886 5 50 FHBA O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccccc1Cl 1148437 MEMFYIQDOPCVOC-UHFFFAOYSA-N 350.827 3.798 5 50 FHBA COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(OC)cc1Cl 1230401 JJFUSNRPLJSVOO-UHFFFAOYSA-N 350.758 3.826 5 50 FHBA CCCOc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC 2840594 DYHVNXHYDJYWCU-UHFFFAOYSA-N 358.394 3.882 5 50 FHBA CCS[C@H]1CCC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 253426087 BDMMQOYHBCPOGP-JQWIXIFHSA-N 358.410 3.596 5 50 FHBA CC[C@@H](NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1cccc([N+](=O)[O-])c1 367598530 WCULDPCVDSFKMN-ZACQAIPSSA-N 372.425 3.816 5 50 FHBA O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(Cl)c1Cl 1188171 CHDUIADFJMMORS-UHFFFAOYSA-N 355.133 3.852 5 50 FHBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 4658857 SUINUKXTLXNEGY-UHFFFAOYSA-N 353.762 3.514 5 50 FHBA CC1=C(C(=O)OCC2CCCCC2)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 7342071 RIZLPHTZNIBLJK-KRWDZBQOSA-N 372.421 3.596 5 50 FHBA COc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 1072978 LTSQLQSSNULQRV-UHFFFAOYSA-N 354.406 3.845 5 50 FHBA biogenic Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 4663524 CHDXRLCHZRBUMQ-UHFFFAOYSA-N 373.434 3.817 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 4694302 NTCJLCQZHKYUGK-UHFFFAOYSA-N 364.785 3.891 5 50 FHBA O=c1c2ccccc2nc(/C=C/c2cccnc2)n1-c1ccc([N+](=O)[O-])cc1 4598693 ADCSQHQHUYJORL-KPKJPENVSA-N 370.368 3.859 5 50 FHBA CCCOC(=O)N(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 4800265 XCUJKYZKPQXQKR-UHFFFAOYSA-N 365.264 3.895 5 50 FHBA O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccccc1[N+](=O)[O-] 4820939 UOIDYPILOYIRCS-UHFFFAOYSA-N 367.386 3.580 5 50 FHBA CC(C)c1[nH]nc(C(=O)N2CCC(C)(c3ccccc3)CC2)c1[N+](=O)[O-] 332411706 IDAWFQTYOKGQGO-UHFFFAOYSA-N 356.426 3.635 5 50 FHBA O=C1C(Cl)=C(c2ccc(Cl)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 5101581 RIPDHAOREZVAMM-UHFFFAOYSA-N 363.156 3.772 5 50 FHBA CCOc1ccc(C(=O)NC(=S)Nc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 1144462 RMBJIDXEOHYMDN-UHFFFAOYSA-N 373.434 3.737 5 50 FHBA Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)sc2c1 2069177 ANEUBNZBUHAYSC-UHFFFAOYSA-N 372.362 3.982 5 50 FHBA Cc1c(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cccc1[N+](=O)[O-] 1206474 IKGFTJMTTGLYPE-UHFFFAOYSA-N 373.372 3.889 5 50 FHBA O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1Cl 2981956 JQGDFRMOTHSEIB-UHFFFAOYSA-N 353.762 3.514 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2cc(Cl)ccc2oc1=O 4750597 SXIIQXLLQANNDJ-UHFFFAOYSA-N 374.736 3.616 5 50 FHBA COC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 13880550 YZWDRRHABCBYSC-YCRREMRBSA-N 360.753 3.687 5 50 FHBA O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(OC(F)(F)F)cc1 2883671 AKXLEYJFKNTXMG-UHFFFAOYSA-N 373.312 3.619 5 50 FHBA CCCCc1ccc(OC(=O)C[S@@](=O)c2ccccc2[N+](=O)[O-])cc1 4387495 OYNOYGUZYZEPTG-VWLOTQADSA-N 361.419 3.651 5 50 FHBA C[C@@H]1CCc2c(sc3ncn(Cc4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 955575 UWQAGQLBPSTIAE-LLVKDONJSA-N 355.419 3.539 5 50 FHBA COc1ccc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 4075997 AMNRPOKASIOSBU-UHFFFAOYSA-N 369.402 3.903 5 50 FHBA CCS[C@H]1CCC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 253426089 BDMMQOYHBCPOGP-PWSUYJOCSA-N 358.410 3.596 5 50 FHBA CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)C12CCCCC2 170638946 UAKFENKKHXGGRL-IAGOWNOFSA-N 364.417 3.934 5 50 FHBA Cc1cccc(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1C 5041807 PQWIVRFDMPRXRB-UHFFFAOYSA-N 354.410 3.566 5 50 FHBA CCOC(=O)c1cc(CC)sc1NC(=O)Cc1ccccc1[N+](=O)[O-] 2800925 WJTMZZJJUXPROP-UHFFFAOYSA-N 362.407 3.577 5 50 FHBA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1c3ccccc3cc3ccccc13)C2 72428034 BEVKBJGSNCSSKV-ZWKOTPCHSA-N 358.441 3.686 5 50 FHBA Cc1cc([N+](=O)[O-])c(C)c(Br)c1I 690356 KROAXCZLVBBAFZ-UHFFFAOYSA-N 355.957 3.579 5 50 FHBA O=C(c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)N1CCOCC1 1099240 LLPSGXUCLFDPJU-UHFFFAOYSA-N 362.769 3.513 5 50 FHBA CCOC(=O)c1cccc(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 1116150 GDZFZSUKOCUXSF-UHFFFAOYSA-N 363.753 3.782 5 50 FHBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC[C@H]2CCCO2)cc1 4872445 VDSVJAIHFNODNE-MRXNPFEDSA-N 355.394 3.746 5 50 FHBA CCC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O 5408258 KYNMKEMSEAXQAD-INIZCTEOSA-N 367.357 3.908 5 50 FHBA COc1ccc(C(=O)c2c(C)oc3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c23)cc1 12731271 ZUBULJFKGJZPRN-UHFFFAOYSA-N 372.289 3.503 5 50 FHBA Cc1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)ccc1[N+](=O)[O-] 20352790 KGBVZTNTIYHVOT-UHFFFAOYSA-N 373.840 3.515 5 50 FHBA Cc1c(Cl)c([N+](=O)[O-])nn1C12C[C@H]3C[C@@H](CC(CC(=O)O)(C3)C1)C2 100772608 FFOUCKPQFNFKTL-YXEONTRPSA-N 353.806 3.523 5 50 FHBA Cc1ccc(C(=O)NC(=S)Nc2cccc3cccnc23)cc1[N+](=O)[O-] 1065393 OYPVALSBOHQIDU-UHFFFAOYSA-N 366.402 3.578 5 50 FHBA CCCCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C 2853445 GMNRNOZVTSUGJE-UHFFFAOYSA-N 355.394 3.685 5 50 FHBA O=C(Nc1ccc(Br)cn1)c1ccc([N+](=O)[O-])cc1Cl 1207421 QGAFOOGEFTVOMD-UHFFFAOYSA-N 356.563 3.658 5 50 FHBA Cc1noc(C)c1[C@@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 170608507 KGPKYXKRNAJWPS-SECBINFHSA-N 351.790 3.615 5 50 FHBA Cc1ccc(C(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)c([N+](=O)[O-])c2)cc1 4978716 WERMJLHQEVSMMB-HUUCEWRRSA-N 354.406 3.748 5 50 FHBA O=c1c2cc(Cl)ccc2ncn1Cc1c(Cl)cccc1[N+](=O)[O-] 2529399 IAINZJLXNRXONV-UHFFFAOYSA-N 350.161 3.660 5 50 FHBA CCC(=O)Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cc1 4839047 AMONYVKQLGUOJM-UHFFFAOYSA-N 362.769 3.954 5 50 FHBA CSc1cccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 13737258 ABVVQGXZFIKXKP-UHFFFAOYSA-N 372.450 3.671 5 50 FHBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 4843250 RPOARCLBDXAKGJ-LLVKDONJSA-N 364.785 3.971 5 50 FHBA Cc1ccccc1N(C(F)F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 4865588 NJMQBHMTTGEDTR-UHFFFAOYSA-N 356.350 3.630 5 50 FHBA CCC[C@@H](C)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n[nH]1 470486755 MYQVQUWPNPUZEV-SNVBAGLBSA-N 366.443 3.639 5 50 FHBA Cc1c(Cl)cccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 1182740 SGJRIOGOPGXOJY-UHFFFAOYSA-N 363.826 3.992 5 50 FHBA Cc1nn(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1Br 710752 KRAFTFBXSUBSTL-UHFFFAOYSA-N 358.579 3.513 5 50 FHBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCc1ccccc1 1211590 XUPJHZWWIZCOST-UHFFFAOYSA-N 359.432 3.613 5 50 FHBA O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 100800099 JBCBGAQNGBPQBF-HDICACEKSA-N 350.374 3.941 5 50 FHBA O=C(Nc1ccc(Br)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4955428 CQCPYARFOSCAGX-UHFFFAOYSA-N 366.127 3.518 5 50 FHBA O=C(Nc1nc(-c2ccccc2)cs1)c1cccc([N+](=O)[O-])c1C(=O)O 3669076 IIJIHXLFACGVFB-UHFFFAOYSA-N 369.358 3.669 5 50 FHBA Cc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 3996084 SYHJUZIYJUDXFM-UHFFFAOYSA-N 374.462 3.547 5 50 FHBA O=[N+]([O-])c1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 3879786 XKGSJZNTSDZQPH-UHFFFAOYSA-N 355.316 3.529 5 50 FHBA CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1OC 241776838 RTBSBXGIFSPDHB-USRAEIGSSA-N 374.437 3.557 5 50 FHBA CC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O 100015192 VABCILAOYCMVPS-HNNXBMFYSA-N 353.330 3.518 5 50 FHBA world O=C1[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 226395922 OIKKCGMAEBHWII-QGTPRVQTSA-N 350.374 3.668 5 50 FHBA C[C@@H]1CCN(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)[C@H](C)C1 837531 HGOKTMDWWYWYHL-GHMZBOCLSA-N 365.480 3.944 5 50 FHBA O=[N+]([O-])c1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1 20405004 JZRMQNWNCVZXKE-UHFFFAOYSA-N 354.435 3.527 5 50 FHBA COc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(Br)c1F 253432984 QNHSZAQHXZSTKL-UHFFFAOYSA-N 369.146 3.757 5 50 FHBA Cc1ccc(N2C3=[N+](CCCCC3)C[C@]2(O)c2cccc([N+](=O)[O-])c2)cc1 1188113 KIXLUYDEDWEOON-NRFANRHFSA-N 366.441 3.554 5 50 FHBA Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C)cc1 4560838 KKUXIRBMWNDCHJ-AWEZNQCLSA-N 373.840 3.908 5 50 FHBA O=C(Nc1ccc(F)cc1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 9065289 SUWYFTKOWQZMAO-UHFFFAOYSA-N 359.342 3.896 5 50 FHBA CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N(CC)C1=S 1167391 DQPDTGFXZPCTNB-RVDMUPIBSA-N 371.418 3.665 5 50 FHBA CCO[C@H]1[C@@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@H]1C 1443866280 AVPZPMNBDUGQGY-OCBCSQNSSA-N 356.378 3.997 5 50 FHBA COc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1NC(=O)C(C)C 1122555 ZDSQLMDOWJDXFH-UHFFFAOYSA-N 371.393 3.759 5 50 FHBA COc1ccc(C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] 1182500 GYULAVDMWFKBGJ-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA O=C(Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2790417 AUVSNIGGFNNSIO-UHFFFAOYSA-N 366.127 3.518 5 50 FHBA CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1OC 2819626 HTDAUAFRBSYVON-UHFFFAOYSA-N 371.393 3.984 5 50 FHBA CSc1nnc2c(n1)O[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 805187 MMPIDXIPABNAER-OAHLLOKOSA-N 367.390 3.672 5 50 FHBA Cc1ccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1[N+](=O)[O-] 4998816 FLKMPXNPJFVAHM-UHFFFAOYSA-N 373.434 3.817 5 50 FHBA CCC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@](O)(c2ccc(Cl)cc2)C1 825698 ONALEILBEBSSML-GOSISDBHSA-N 373.796 3.705 5 50 FHBA Cc1cc(C)c2c(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)coc2c1 4866566 XGQIDIZDAONRTH-UHFFFAOYSA-N 368.345 3.868 5 50 FHBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccccc1Cl 1215987 RQFGEGZFYWFMJE-JXMROGBWSA-N 361.810 3.775 5 50 FHBA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 5060113 PGEQWOMXYYSWDJ-SNVBAGLBSA-N 365.183 3.763 5 50 FHBA COc1ccc(NC(=O)COc2ccccc2C(C)(C)C)c([N+](=O)[O-])c1 3957293 OMVCDMJKIGXSCZ-UHFFFAOYSA-N 358.394 3.918 5 50 FHBA O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 2978949 MSJUVNUEMKNEIS-UHFFFAOYSA-N 353.762 3.514 5 50 FHBA O=[N+]([O-])c1nc(Oc2cccc3cccnc23)n(Cc2ccccc2F)n1 1061702 YUUXKHSZZSTIPU-UHFFFAOYSA-N 365.324 3.714 5 50 FHBA Cc1ccc(N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1C 1114966 SYWBXAHTNAFLGD-UHFFFAOYSA-N 373.840 3.827 5 50 FHBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(CC)cc2)cc1[N+](=O)[O-] 1171478 MVWDNDFCFGDFTO-UHFFFAOYSA-N 373.434 3.683 5 50 FHBA COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CCCC2 1067924 UPHOXMJHZRRSPN-UHFFFAOYSA-N 374.418 3.882 5 50 FHBA COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 4978158 BFHJMLDCDBCOCW-UHFFFAOYSA-N 355.394 3.846 5 50 FHBA O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(F)cc1 1153957 USVBDISPLMMXSS-UHFFFAOYSA-N 358.247 3.770 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccccc1C(C)(C)C 3958588 HVYATRKQKYNPGV-UHFFFAOYSA-N 358.394 3.918 5 50 FHBA C[C@@H]1CCCN(c2cc(Nc3ccccc3O)c([N+](=O)[O-])c3nonc23)C1 4754369 NMYVIPLKRRMZKR-LLVKDONJSA-N 369.381 3.817 5 50 FHBA CCOc1ccc(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 957101 AQJDKKLVXDWZSM-UHFFFAOYSA-N 373.390 3.621 5 50 FHBA O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 1196220 PHBXOXXAFHIMID-UHFFFAOYSA-N 371.374 3.583 5 50 FHBA O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 13940338 ILVDVSIGYIJHOG-OQLLNIDSSA-N 356.359 3.537 5 50 FHBA O=C(O)c1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 104836162 GXLNKGYTGQCCLQ-JCGIZDLHSA-N 354.362 3.928 5 50 FHBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 55542847 MAEUDJDYWWOLGR-UHFFFAOYSA-N 365.355 3.936 5 50 FHBA CCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 4687987 UTKPYEGJIFTAII-NTEUORMPSA-N 371.374 3.838 5 50 FHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Br)c1 1194232 YLFRGMFTCLNJGL-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA COc1ccc(NC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 4702867 YWWXNZTTWHTYKB-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA CCCCOC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 1886289 JJUYMRVUSRDWKE-UHFFFAOYSA-N 372.377 3.569 5 50 FHBA O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(c2cccc(Cl)c2)CC1 1134263 PMQUKMGMKMWSEY-CMDGGOBGSA-N 371.824 3.610 5 50 FHBA O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)o1 4866313 QEQJQILABGXRFD-UHFFFAOYSA-N 360.547 3.961 5 50 FHBA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2c1ccc2cc([N+](=O)[O-])ccc2n1 225778952 LFKMQCHNHJXQNC-MQVJKMGUSA-N 363.421 3.792 5 50 FHBA O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 239159691 MPTQPLUKQXAYSQ-ILRDRHFLSA-N 362.385 3.797 5 50 FHBA CSc1nnc2c(n1)O[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1-2 675513 MGHCEJUQKKUFMY-OAHLLOKOSA-N 367.390 3.672 5 50 FHBA C[C@]1(c2ccccc2)CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 170626457 ZYWJRFGUNBJAQE-FQEVSTJZSA-N 354.406 3.554 5 50 FHBA CCCCc1ccc(OC(=O)C[S@](=O)c2ccccc2[N+](=O)[O-])cc1 2847270 OYNOYGUZYZEPTG-RUZDIDTESA-N 361.419 3.651 5 50 FHBA COc1ccccc1OCCOCCOc1ccc([N+](=O)[O-])cc1Cl 2991268 UEHOJQCBVMXVRB-UHFFFAOYSA-N 367.785 3.731 5 50 FHBA C[C@H]1CN(C(=O)c2cc(F)cc3c(O)c4cc(F)ccc4nc23)C[C@@H](C)O1 275937649 ITCACNFESRJFMK-PHIMTYICSA-N 372.371 3.621 5 50 FHBA O=C(NC1CCCCC1)c1ccc(C(=O)NC2CCCCC2)c([N+](=O)[O-])c1 717926 CRJHYFZOAOFGIP-UHFFFAOYSA-N 373.453 3.720 5 50 FHBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)OCc1ccc2c(c1)OCO2 4583048 CHBDBBXGHKHULN-UHFFFAOYSA-N 350.714 3.726 5 50 FHBA O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 858007764 CQMIREQPTBGFAO-CQSZACIVSA-N 374.828 3.963 5 50 FHBA Cc1ccc(NC(=O)Cn2cncc2-c2ccc([N+](=O)[O-])cc2)cc1C 1114385 UURVDVLIZLQZSU-UHFFFAOYSA-N 350.378 3.714 5 50 FHBA CCOc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OCC 1078373 ZXCXBKGZWLABRJ-UHFFFAOYSA-N 360.366 3.653 5 50 FHBA O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1F 4599694 ZQHBQTKWPFUUPP-UHFFFAOYSA-N 365.169 3.842 5 50 FHBA CCc1c(C)sc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1C(=O)OC 656580 QGVVBZPCMAMXHK-JXMROGBWSA-N 374.418 3.966 5 50 FHBA CCN(CC)CCNc1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12 1128004 WBUPGKVOHRHZIE-UHFFFAOYSA-N 365.437 3.959 5 50 FHBA COc1cc(C=O)ccc1OCCCOc1ccc([N+](=O)[O-])cc1Cl 2984001 QXMODADNEIDKJB-UHFFFAOYSA-N 365.769 3.917 5 50 FHBA CCOc1ccc(C(=O)Nc2ccc(NC(=O)CC)cc2)cc1[N+](=O)[O-] 1204004 YWNFKDLOJLOCHX-UHFFFAOYSA-N 357.366 3.594 5 50 FHBA CC(C)(C)Cc1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 1005658 IBQFMPBFDNZIIA-UHFFFAOYSA-N 354.819 3.941 5 50 FHBA C[C@H]1CCN(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)[C@H](C)C1 837530 HGOKTMDWWYWYHL-WDEREUQCSA-N 365.480 3.944 5 50 FHBA CCn1cc(CNC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cn1 1111949 CFKYRLNSZFWWLO-UHFFFAOYSA-N 364.814 3.609 5 50 FHBA CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C(N)=O 1209382 SCHXQYDEIPTCIK-UHFFFAOYSA-N 367.814 3.532 5 50 FHBA Cc1cccnc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 4858056 DUVNUZZGNWSHGH-UHFFFAOYSA-N 354.410 3.787 5 50 FHBA O=C(Nc1ccccc1Cl)c1cn(Cc2ccc([N+](=O)[O-])cc2)cn1 71775245 ANMVYAODHDXBCQ-UHFFFAOYSA-N 356.769 3.745 5 50 FHBA O=C(N1N=C(c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1)C(F)(F)F 252484822 GIVQROMJZINFPO-HNNXBMFYSA-N 363.295 3.835 5 50 FHBA Cc1ccc2[nH]c([C@@H]3CCCN3CCOc3ccccc3[N+](=O)[O-])nc2c1 253431862 XVLQOPBGGMCENO-SFHVURJKSA-N 366.421 3.995 5 50 FHBA O=C(CN1Cc2ccc([N+](=O)[O-])cc2C1)Nc1ccc(C(F)(F)F)cc1 1340802246 RAGJHFUPQLVJMB-UHFFFAOYSA-N 365.311 3.568 5 50 FHBA CC(=O)c1ccc(N2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 55031507 IQZVQOMBKITCME-UHFFFAOYSA-N 373.840 3.773 5 50 FHBA COc1ccc(-c2c3cnn(C)c3nc3c2oc2cc(O)ccc23)cc1O 253405802 IMZPZXDZEZRUGJ-UHFFFAOYSA-N 361.357 3.955 5 50 FHBA biogenic CC(C)CC(=O)N[C@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 3053152 MYEMHFJLMAREEO-LBPRGKRZSA-N 368.648 3.865 5 50 FHBA O=C(NCCNc1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 4695969 UPTLNOXLUDDRHN-UHFFFAOYSA-N 354.193 3.744 5 50 FHBA O=C(Nc1cccc(C(=O)Nc2nccs2)c1)c1ccc([N+](=O)[O-])cc1 1134571 MINGTMVKBULXKP-UHFFFAOYSA-N 368.374 3.556 5 50 FHBA COCCN(C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)nc2sccc12 1875253541 MHDQGWWVFFLNMD-UHFFFAOYSA-N 358.423 3.658 5 50 FHBA CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 36230970 KQIGSECKWQNHKD-UHFFFAOYSA-N 357.366 3.537 5 50 FHBA O=C(CSCc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1O 35832786 XLDYRTAPKQIASS-UHFFFAOYSA-N 352.799 3.826 5 50 FHBA CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CCN1Cc1ccccc1 170595193 YERMGKVYHXJQIL-IBGZPJMESA-N 367.449 3.640 5 50 FHBA O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 5581603 WRBVLGHAFYEVGS-UHFFFAOYSA-N 369.324 3.740 5 50 FHBA CC(C)CC(=O)N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 3053153 MYEMHFJLMAREEO-GFCCVEGCSA-N 368.648 3.865 5 50 FHBA COc1ccccc1N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 55543710 XPNSISWFSXFHDS-UHFFFAOYSA-N 361.829 3.579 5 50 FHBA CC[C@]12CCC[N@@+]3(CC)CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]23 252441039 BYDKBTXPTYHQQH-FVEXOFTDSA-O 367.513 3.980 5 50 FHBA CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CCN1Cc1ccccc1 170595192 YERMGKVYHXJQIL-LJQANCHMSA-N 367.449 3.640 5 50 FHBA O=C(Nc1ccc([N+](=O)[O-])c(I)c1)c1cccs1 170617648 USRSWKZYWGWWRP-UHFFFAOYSA-N 374.159 3.513 5 50 FHBA Cc1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 1174262 VLHMLIXIZHKIBE-UHFFFAOYSA-N 363.826 3.992 5 50 FHBA CCOc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 4830392 JLKQYHSEMGJJOE-UHFFFAOYSA-N 372.406 3.601 5 50 FHBA COc1cc(C=O)ccc1OC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4771280 KQZRDOXPHKKQLV-UHFFFAOYSA-N 350.714 3.680 5 50 FHBA CCOc1ccccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4983538 WBLBMIDQISLLEQ-UHFFFAOYSA-N 355.394 3.846 5 50 FHBA CC(C)(C)OC(=O)Nc1ccc(I)cc1[N+](=O)[O-] 95802913 YJHGAFUPACBMDJ-UHFFFAOYSA-N 364.139 3.546 5 50 FHBA CCOc1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1179783 IZFXVOZBJXKCMB-IZZDOVSWSA-N 371.418 3.520 5 50 FHBA CCCN1CCC(N[C@@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)CC1 5032132 FTQNXGWSSXOUKZ-LJQANCHMSA-N 356.470 3.918 5 50 FHBA COc1cc(CNc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC 851069 BKZHUBZFKUEWLN-UHFFFAOYSA-N 367.199 3.987 5 50 FHBA COC(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 1206962 DHLITBMGGTUXNG-UHFFFAOYSA-N 368.267 3.653 5 50 FHBA O=c1[nH]c(CCNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cs1 170610812 AROHFBQNNNXVPU-UHFFFAOYSA-N 367.736 3.671 5 50 FHBA CCCCOc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4844702 CZXBZAACQYIDOC-UHFFFAOYSA-N 350.396 3.575 5 50 FHBA COc1cc(CN2CCC3(C=Cc4ccccc43)CC2)cc([N+](=O)[O-])c1O 4984003 LAESYAYBPHLROH-UHFFFAOYSA-N 366.417 3.870 5 50 FHBA Cc1ccc2cccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])c2n1 4739325 PRCVBFSVHHSRLW-UHFFFAOYSA-N 366.402 3.578 5 50 FHBA CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 4980361 YTIIWKFOQCDHDX-UHFFFAOYSA-N 364.423 3.747 5 50 FHBA CCOc1ccccc1-n1ccc2c(cnc3nc4ccccc4n32)c1=O 19959382 ORSPKFCXXXSSMA-UHFFFAOYSA-N 356.385 3.585 5 50 FHBA COc1cc(OC)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl 1165955 RSWZMMJIIAFWHN-UHFFFAOYSA-N 350.758 3.826 5 50 FHBA CCn1c(SCc2ccc(OC)c([N+](=O)[O-])c2)nc2ccccc2c1=O 2863167 BINYMLABRGZJPI-UHFFFAOYSA-N 371.418 3.626 5 50 FHBA O=C(/C=C/c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4707038 SJOAFGQCQCXCKP-BJMVGYQFSA-N 371.824 3.610 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 4647171 IYJFWPBQBHTSBY-LLVKDONJSA-N 364.785 3.971 5 50 FHBA COc1ccc2[nH]cc(CCNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2c1 13957951 QTIDSZBQVFJFOM-UHFFFAOYSA-N 373.796 3.711 5 50 FHBA CC1(C)c2cc([N+](=O)[O-])ccc2N2Cc3cc([N+](=O)[O-])ccc3O[C@]21C 44127149 UCOSCQHFNIEATI-SFHVURJKSA-N 355.350 3.909 5 50 FHBA Cc1cccc2[nH]cc(CCNC(=O)N3CCc4cc([N+](=O)[O-])ccc43)c12 225541082 FYLBBLALJLQJNQ-UHFFFAOYSA-N 364.405 3.699 5 50 FHBA O=C(NCCSCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 2986824 VPMHFIVAXZCFQM-UHFFFAOYSA-N 350.827 3.911 5 50 FHBA Cc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)oc2ccccc12 3904045 OZZFOYDYOOUCST-UHFFFAOYSA-N 365.389 3.612 5 50 FHBA O=C(O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 104836158 GXLNKGYTGQCCLQ-FHLIZLRMSA-N 354.362 3.928 5 50 FHBA CCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1 4701831 WBISMSVQSIDAKV-UHFFFAOYSA-N 373.434 3.901 5 50 FHBA COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1[N+](=O)[O-] 834240 WBPYQBBMVRQVIQ-UHFFFAOYSA-N 369.146 3.757 5 50 FHBA O=C(OCc1c(Cl)cccc1[N+](=O)[O-])c1coc(-c2cccnc2)n1 1875344296 BILOZLINYYGLFZ-UHFFFAOYSA-N 359.725 3.655 5 50 FHBA O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccccc1[N+](=O)[O-] 2544870 ZUERLXOJMYYSIS-UHFFFAOYSA-N 350.161 3.660 5 50 FHBA O=C(CSc1nccc(-c2cccs2)n1)Nc1cccc([N+](=O)[O-])c1 2790297 XQQNGXPMLVBBEU-UHFFFAOYSA-N 372.431 3.844 5 50 FHBA O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] 1173032 KWQXCYUFLVVKBR-UHFFFAOYSA-N 369.324 3.740 5 50 FHBA Cc1cc(C)n(-c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)n1 3469179 XWPXDXZTHJSRDD-UHFFFAOYSA-N 351.362 3.754 5 50 FHBA O=C(Oc1cc([N+](=O)[O-])ccc1Cl)C(C(F)(F)F)C(F)(F)F 4594210 BVAGEHVFVCLARS-UHFFFAOYSA-N 351.586 3.894 5 50 FHBA C[C@H]1CN(C)CC[C@H]1N(C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 241644469 PRAVEMPIGJILRJ-MAUKXSAKSA-N 367.449 3.602 5 50 FHBA O=[N+]([O-])c1ccc(-c2nnc(NCc3ccccc3)s2)c([N+](=O)[O-])c1 2546599 ILXBBFVEWBICNR-UHFFFAOYSA-N 357.351 3.634 5 50 FHBA O=c1c([N+](=O)[O-])c(N2CCCCC2)c2ccccc2n1Cc1ccccc1 4264109 BGZJSRIGXYUSQR-UHFFFAOYSA-N 363.417 3.948 5 50 FHBA O=[N+]([O-])c1cccc(/C=C/C2=CCN(C[C@@H](O)c3ccccc3)CC2)c1 755519 YRHJMYLPJDJXMF-LCCNJJIFSA-N 350.418 3.974 5 50 FHBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 5094431 FBDZBZTUPYUBSL-UHFFFAOYSA-N 363.826 3.612 5 50 FHBA O=C(COc1ccc(OC(F)(F)F)cc1)Nc1cccc([N+](=O)[O-])c1 8378522 JNACZEIZENRRJD-UHFFFAOYSA-N 356.256 3.511 5 50 FHBA CCc1c(C)sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1C(N)=O 687074 IYVLGPRQLCYZAR-UHFFFAOYSA-N 367.814 3.532 5 50 FHBA CCCC(=O)N[C@@H](Oc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 2620782 CILMKGIYXPTDNW-NSHDSACASA-N 355.605 3.586 5 50 FHBA O=[N+]([O-])c1ccc(OCc2nc(-c3ccc(Br)o3)no2)cc1 1421815 KAXSCQKFUSZIBZ-UHFFFAOYSA-N 366.127 3.579 5 50 FHBA Cc1cc(-c2nc3ccc(Br)cc3c(=O)o2)ccc1[N+](=O)[O-] 832889 RLVAOODQHFAZSH-UHFFFAOYSA-N 361.151 3.834 5 50 FHBA Cc1sc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)nc1-c1ccccc1 1144292 XVKVGCVDBLTQLO-UHFFFAOYSA-N 365.370 3.827 5 50 FHBA O=C(Cc1ccccc1[N+](=O)[O-])NCCSc1ccc(Cl)cc1 2842250 QPEGYRYNECRECX-UHFFFAOYSA-N 350.827 3.699 5 50 FHBA Cc1ccc(C)c2sc(NC(=O)COc3ccccc3[N+](=O)[O-])nc12 4869061 CVWGKZXREKDOJQ-UHFFFAOYSA-N 357.391 3.839 5 50 FHBA O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccncc1 1234090 ZRAVZHZGRICMLN-UHFFFAOYSA-N 361.313 3.583 5 50 FHBA CCOC(=O)[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 4986150 CVVYRZATVIOPIP-CQSZACIVSA-N 358.394 3.630 5 50 FHBA CCCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc(C)c1 6400413 CBNABOKZPVXBIL-UHFFFAOYSA-N 364.456 3.580 5 50 FHBA CCc1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1181449 KQDSGJXWOZAYEI-DHZHZOJOSA-N 355.419 3.684 5 50 FHBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccco2)cc1 5065653 LIFQTFLPCZLJOQ-UHFFFAOYSA-N 351.318 3.692 5 50 FHBA Cc1ccc(C(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)c([N+](=O)[O-])c2)cc1 18165901 WERMJLHQEVSMMB-GASCZTMLSA-N 354.406 3.748 5 50 FHBA COc1cc(C(=O)Nc2cccc(Cl)c2C)c([N+](=O)[O-])cc1OC 1189895 XGVRUEAIWWCYKH-UHFFFAOYSA-N 350.758 3.826 5 50 FHBA C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CCN1C(=O)c1ccccc1 4188696 LJMGFWJDFXHGMX-CYBMUJFWSA-N 359.813 3.599 5 50 FHBA O=C(NCCCNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1F 4550332 GFEROGIUBYVAJR-UHFFFAOYSA-N 351.765 3.619 5 50 FHBA CCCCn1nc(C)c2c(C(=O)OC)cc(-c3cccc([N+](=O)[O-])c3)nc21 13961102 RQBYOYJJDKZBKQ-UHFFFAOYSA-N 368.393 3.902 5 50 FHBA COc1ccccc1NC(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 1763396 BKAOXKWZECYKHG-UHFFFAOYSA-N 371.378 3.766 5 50 FHBA CC(C)[C@@H](COC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-])c1ccccc1 3136938 CIHMILYYXXTAAB-OAHLLOKOSA-N 357.362 3.890 5 50 FHBA O=C(c1ccccc1Cl)c1cc([N+](=O)[O-])ccc1NC(=O)C(F)(F)F 5027946 OTGRHNLWLHNFEW-UHFFFAOYSA-N 372.686 3.980 5 50 FHBA Cc1sc2ncnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])c2c1C 5059491 PTFVAHJLUFLMBI-UHFFFAOYSA-N 374.447 3.947 5 50 FHBA Cn1ncc2c(-c3ccc(C(=O)O)cc3)c3oc4cc(O)ccc4c3nc21 253411885 PFSRHBICVMYSLN-UHFFFAOYSA-N 359.341 3.939 5 50 FHBA biogenic Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Br 4983699 HOHYUBOBCZAEMN-UHFFFAOYSA-N 370.590 3.966 5 50 FHBA C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1cc([N+](=O)[O-])cn1 1069760 UZVVEHIQLFPIAH-ZETCQYMHSA-N 362.695 3.663 5 50 FHBA O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccccc1[N+](=O)[O-] 990043 PZIXPKDROUHBFM-UHFFFAOYSA-N 359.345 3.581 5 50 FHBA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1 252669443 HNXXWYBHOKWZDK-DYESRHJHSA-N 353.466 3.937 5 50 FHBA CCc1c(C)sc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1C(=O)OC 996198 DZNAWUUEDIYYHG-UHFFFAOYSA-N 362.407 3.874 5 50 FHBA NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCCCC2 2734191 VLKZJOZSCJVGRE-UHFFFAOYSA-N 373.434 3.667 5 50 FHBA CC[C@](C)(O)CN(Cc1ccccc1)c1ccc(C(C)=O)cc1[N+](=O)[O-] 170603199 SVNOKJPNIDXYFE-FQEVSTJZSA-N 356.422 3.965 5 50 FHBA C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(N)cc1F)c1ccc2c(c1)CCCC2 253404908 FWBCJONVFWOUOV-LLVKDONJSA-N 357.385 3.686 5 50 FHBA COc1cc(C(N)=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4844788 SQGSTWDMYNJTPI-UHFFFAOYSA-N 356.256 3.513 5 50 FHBA Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)cccc1-c1nc2ncccc2o1 830413 DLMGJYALOGMYEL-UHFFFAOYSA-N 364.317 3.952 5 50 FHBA COc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 4699020 AKKQOPHNRANNIE-UHFFFAOYSA-N 371.176 3.928 5 50 FHBA CN(Cc1nccs1)[C@H]1CC12CCN(Cc1ccccc1[N+](=O)[O-])CC2 377164391 HYMKHIUDENRQDB-KRWDZBQOSA-N 372.494 3.538 5 50 FHBA CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1149978 CJHAUMNXPFAPLI-UHFFFAOYSA-N 361.785 3.639 5 50 FHBA O=C(NC(=S)Nc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 1173641 ZNUCJMVPRCDWHP-UHFFFAOYSA-N 351.387 3.875 5 50 FHBA Cc1nn(C(=O)c2cccnc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 1203221 CEQYZEHVVVGFOC-UHFFFAOYSA-N 354.391 3.643 5 50 FHBA O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccs1 4182845 MJVUEFYJNVJWNW-UHFFFAOYSA-N 359.329 3.517 5 50 FHBA Cc1cccc(N2CCN(C(=S)Nc3ccccc3[N+](=O)[O-])CC2)c1C 17075951 TUQNJCDDINVAET-UHFFFAOYSA-N 370.478 3.731 5 50 FHBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C)cc1 4188692 RNLJLSAWTQRPIN-AWEZNQCLSA-N 373.840 3.908 5 50 FHBA COc1ccc(OCCOCCOc2ccc([N+](=O)[O-])cc2Cl)cc1 4701990 YLVYQULKGQRYAY-UHFFFAOYSA-N 367.785 3.731 5 50 FHBA Cc1cccc(-c2noc(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)c1 4810473 NGLQQDGGUFAWHW-UHFFFAOYSA-N 366.377 3.915 5 50 FHBA COc1ccc(C(=O)NC(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-] 821208509 XFVIJQQSBAYHNQ-UHFFFAOYSA-N 365.345 3.719 5 50 FHBA COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 939942 DWSMILWUXJGLPE-UHFFFAOYSA-N 355.375 3.979 5 50 FHBA O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc([N+](=O)[O-])cc1 1166172 GZNCMWBKSPZEFS-UHFFFAOYSA-N 351.318 3.692 5 50 FHBA Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 1230710 OMFFMHDBCLYMPU-UHFFFAOYSA-N 354.815 3.974 5 50 FHBA CN(Cc1ccoc1)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 447687607 DKNFGANDMCOENM-UHFFFAOYSA-N 351.231 3.873 5 50 FHBA COc1ccc([N+](=O)[O-])cc1COc1ccc2c(C)c(C)c(=O)oc2c1 1177268 AQZWIVOTSCNRDA-UHFFFAOYSA-N 355.346 3.906 5 50 FHBA O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1cccnc1 828811 JZOYETVYQMJSPM-UHFFFAOYSA-N 361.313 3.583 5 50 FHBA O=[N+]([O-])c1ccccc1OCCOCCOc1cccc2cccnc12 2991028 SYHYQSOWKXACTH-UHFFFAOYSA-N 354.362 3.617 5 50 FHBA Cc1cc(OC[C@@H](O)CN(Cc2ccccc2)C(C)(C)C)ccc1[N+](=O)[O-] 771876 OYHKGTQGXDOFIT-SFHVURJKSA-N 372.465 3.944 5 50 FHBA Cc1cc(=O)oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc12 652787 GBIVWKJKWSJKQF-UHFFFAOYSA-N 359.721 3.882 5 50 FHBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 855613 VMPZXMYCWVMIEL-UHFFFAOYSA-N 374.418 3.964 5 50 FHBA COc1ccc(Br)cc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 4842766 TULCLRXKQCWOPU-UHFFFAOYSA-N 365.183 3.927 5 50 FHBA COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 2873499 NUXMNYUGKHUUGE-UHFFFAOYSA-N 355.375 3.979 5 50 FHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(Cc2ccccc2)CC1 17075566 UMFFFQSLGKUOPS-UHFFFAOYSA-N 368.437 3.689 5 50 FHBA Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2C[C@H](C)O[C@H](C)C2)cc1 18189587 AUPNBNMVMZEFDS-GASCZTMLSA-N 354.406 3.748 5 50 FHBA Cc1ccc(CSCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 2978598 AZRWSYABVJJHTA-DHZHZOJOSA-N 356.447 3.966 5 50 FHBA O=[N+]([O-])c1nn(Cc2c(Cl)cccc2Cl)cc1Br 4867827 ZCYXOXQIBPAOCQ-UHFFFAOYSA-N 350.987 3.909 5 50 FHBA COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(Cl)c([N+](=O)[O-])c1 19873931 QFZZCHYWHWUPFF-QGZVFWFLSA-N 357.797 3.973 5 50 FHBA O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Cl)cn1 2868535 NOMKBJPDKQEBCC-UHFFFAOYSA-N 353.721 3.597 5 50 FHBA aggregator CCOC(=O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 4986748 YDCDUOTZGJHRMC-UHFFFAOYSA-N 358.394 3.630 5 50 FHBA Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)c1 5041772 GPAYALHKVNKYKK-UHFFFAOYSA-N 363.826 3.992 5 50 FHBA O=C1OC(c2cccc(Br)c2)=N/C1=C\c1cccc([N+](=O)[O-])c1 1511209 TUASATDQPGSKJP-ZSOIEALJSA-N 373.162 3.702 5 50 FHBA O=[N+]([O-])c1nn(Cc2ccc(Cl)c(Cl)c2)cc1Br 1125776 JTEUAYIUXYLBIC-UHFFFAOYSA-N 350.987 3.909 5 50 FHBA COc1ccc(CSc2nnc(-c3ccc(F)cc3)n2C)cc1[N+](=O)[O-] 2838878 CCTUCDHHCNZEBX-UHFFFAOYSA-N 374.397 3.830 5 50 FHBA O=[N+]([O-])c1cccc(OCCCCN2CCN(Cc3ccccc3)CC2)c1 4833023 YNAYTMKNGKUXGB-UHFFFAOYSA-N 369.465 3.572 5 50 FHBA COc1ccccc1N1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 5671215 ATICMRYAFPQDRI-XNTDXEJSSA-N 356.359 3.844 5 50 FHBA O=C1S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 15010132 DLNGYWXTCZQNBJ-NVNXTCNLSA-N 374.349 3.676 5 50 FHBA CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c1 878040 RGUPKGLMCHIULH-NSHDSACASA-N 373.434 3.941 5 50 FHBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C)o1 5337697 ZWTVNACLLCVFBB-NSHDSACASA-N 363.801 3.501 5 50 FHBA O=C(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1ccc([N+](=O)[O-])cc1 1054923 JSQKDCRQUWTTOA-UHFFFAOYSA-N 374.759 3.884 5 50 FHBA Cc1ccc(CN2CC(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1 170613847 VUIZLIXKKSKXAO-UHFFFAOYSA-N 359.769 3.525 5 50 FHBA O=C(NCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1F 4184285 UCAGFGNKPLAKJD-UHFFFAOYSA-N 371.290 3.595 5 50 FHBA Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1C 881430 RMDZFTRZGDEEOX-UHFFFAOYSA-N 363.826 3.992 5 50 FHBA Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 4551538 YSIGHMXTVPOKOG-UHFFFAOYSA-N 359.813 3.519 5 50 FHBA COc1cc(CN2CCc3c([nH]c4ccccc34)C2)c([N+](=O)[O-])cc1OC 19537813 AMQJJEJTXMNJJN-UHFFFAOYSA-N 367.405 3.652 5 50 FHBA COc1ccc([N+](=O)[O-])cc1COc1ccc2c(C)cc(=O)oc2c1C 1110908 UMHMHRDKVDYTBN-UHFFFAOYSA-N 355.346 3.906 5 50 FHBA CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1[N+](=O)[O-] 1157522 XTKHOUDBGOBZTG-UHFFFAOYSA-N 350.758 3.908 5 50 FHBA Cc1cc(C)nc(Sc2cc(Cl)c3nsnc3c2[N+](=O)[O-])n1 1185398 LKUBELGKSWTFKU-UHFFFAOYSA-N 353.816 3.811 5 50 FHBA Cc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] 830006 ZNTGMLBXAKPZMO-UHFFFAOYSA-N 359.813 3.519 5 50 FHBA O=C(Nc1ccc(Cl)cn1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5027991 DLSVJLXONMGTCO-UHFFFAOYSA-N 360.801 3.886 5 50 FHBA Cc1nc2ncccn2c1-c1csc(Nc2ccc([N+](=O)[O-])cc2)n1 4094887 XZSXFZZSLDUVEC-UHFFFAOYSA-N 352.379 3.813 5 50 FHBA Cc1cccc(CSCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 2989644 DNSCHKVGYFGFOC-JXMROGBWSA-N 356.447 3.966 5 50 FHBA O=C(NCCNc1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2o1 4506992 RPPVCXWUMAHFKS-UHFFFAOYSA-N 359.769 3.836 5 50 FHBA Cn1c(=O)c([N+](=O)[O-])c(Nc2ccc(Br)cc2)c2ccccc21 5060938 WBYOHOUSWSDPMB-UHFFFAOYSA-N 374.194 3.953 5 50 FHBA COC(=O)c1cc([N+](=O)[O-])c(C(=O)OC)cc1Oc1ccc(Cl)cc1 802068 PNMVBKCGVMYRQM-UHFFFAOYSA-N 365.725 3.614 5 50 FHBA O=[N+]([O-])c1ccc(N2CCNCC2)cc1Sc1cccc2cccnc12 4543611 VWXKGDSFQKTRHI-UHFFFAOYSA-N 366.446 3.704 5 50 FHBA O=C1S/C(=C/c2ccccc2F)C(=O)N1Cc1cccc([N+](=O)[O-])c1 1154792 OAIIYVQBCASVED-OQLLNIDSSA-N 358.350 3.970 5 50 FHBA COc1ccc(CNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 4838557 FWPMESCOPOYJHO-UHFFFAOYSA-N 352.346 3.793 5 50 FHBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c(C)c1 4998530 KERWMUVVBMODIG-UHFFFAOYSA-N 373.840 3.827 5 50 FHBA CCOc1ccc([C@@H]2Cc3c(cc([N+](=O)[O-])cc3[N+](=O)[O-])N2C)cc1OC 4624025 FOVJVFZLJPJRJA-AWEZNQCLSA-N 373.365 3.644 5 50 FHBA COc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 951520 MTZRTRATZCKSMF-UHFFFAOYSA-N 350.758 3.583 5 50 FHBA aggregator O=C(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccco1 1216575 ZRELLAZRTDJXTK-UHFFFAOYSA-N 351.318 3.692 5 50 FHBA O=C(Nc1ccc(Br)cn1)Nc1cc([N+](=O)[O-])ccc1F 3091354 OHXSYUBLIUPDTB-UHFFFAOYSA-N 355.123 3.535 5 50 FHBA CN(C)C(=O)N[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 3130634 FZZRGKDVCXVUIU-VIFPVBQESA-N 372.661 3.654 5 50 FHBA COc1cc(Cl)c(C)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 1122662 NEQZHGLJDYTYJP-UHFFFAOYSA-N 350.758 3.826 5 50 FHBA O=C1C[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)c2ccc3ccccc3c2N1 1190326 DBTRBNOGOBENDT-AWEZNQCLSA-N 362.341 3.951 5 50 FHBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1nc(-c2ccccc2)cs1 1206233 MEEVTFUQWJDQOB-UHFFFAOYSA-N 351.343 3.519 5 50 FHBA O=C(/C=C/c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4881700 CJTWZBYLKPKBOB-RUDMXATFSA-N 371.824 3.610 5 50 FHBA CCCOc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 3017319 QCRJFKDDTXONFS-UHFFFAOYSA-N 368.345 3.742 5 50 FHBA O=[N+]([O-])c1ccc(NC(=S)Nc2ccn(Cc3ccccc3)n2)cc1 4998980 JOTMNQQUHFYUKM-UHFFFAOYSA-N 353.407 3.649 5 50 FHBA Cc1c([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3)cc2)nn1C 679925 LTDXVRURYZJJLL-UHFFFAOYSA-N 352.350 3.681 5 50 FHBA O=C(/C=C/c1cc([N+](=O)[O-])ccc1O)Nc1cccc(Br)c1 35349208 LGZPVOYSOWLQBH-QPJJXVBHSA-N 363.167 3.715 5 50 FHBA CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C(N)=O 1115095 ACQPZBSJACCKGO-UHFFFAOYSA-N 367.814 3.532 5 50 FHBA COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(Cl)cc1 2507081 DCKPHZJOPPROGI-UHFFFAOYSA-N 352.799 3.988 5 50 FHBA O=[N+]([O-])c1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 55543200 VPUAKYMPELBFHE-UHFFFAOYSA-N 365.355 3.936 5 50 FHBA O=C(Cn1ccc2c([N+](=O)[O-])cccc21)N1CCCC[C@@H]1c1cccnc1 247429738 UEZBVSRCIWQLBS-QGZVFWFLSA-N 364.405 3.698 5 50 FHBA CNC(=O)c1ccc(N2CCC[C@@]2(C)Cc2ccccc2)c([N+](=O)[O-])c1 170596912 QWRBNGFYICAHTL-FQEVSTJZSA-N 353.422 3.556 5 50 FHBA O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1Cl 681017 GGOBEGWPFIAEGU-UHFFFAOYSA-N 353.762 3.514 5 50 FHBA O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1226916 VKIDQPFOHCWYOC-UHFFFAOYSA-N 354.145 3.941 5 50 FHBA CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1 5197142 UWUQYSUSGIUBOC-NSHDSACASA-N 350.396 3.615 5 50 FHBA Cc1c(Cl)cccc1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 1002478 DHZGMRJURSIFCU-UHFFFAOYSA-N 360.757 3.647 5 50 FHBA O=C1OC(c2ccccc2[N+](=O)[O-])=N/C1=C/c1ccc(Br)cc1 1156958 XYZPTFQIOFGEEX-UKTHLTGXSA-N 373.162 3.702 5 50 FHBA CCCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4750398 ORGRPDQEYDQHBH-UHFFFAOYSA-N 353.422 3.510 5 50 FHBA CCOC(=O)c1ccc(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1121691 DWUUXUXTQJSQKZ-UHFFFAOYSA-N 363.753 3.782 5 50 FHBA O=[N+]([O-])c1ccccc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 55543853 PSNARNPRDKPSJX-UHFFFAOYSA-N 365.355 3.936 5 50 FHBA O=C(C[C@@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1)c1cccs1 430988927 NICXZEBOBVEROQ-AWEZNQCLSA-N 360.435 3.773 5 50 FHBA COC(=O)[C@@H](C)Oc1cccc2c1ccc1c3c(c(=O)oc12)CCCC3 3902499 HSUYTLOTSJEVLP-GFCCVEGCSA-N 352.386 3.765 5 50 FHBA COC(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 1097960 FGUNBJMTETUZHJ-UHFFFAOYSA-N 368.267 3.653 5 50 FHBA CCOC(=O)C[C@@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(C)cc1 4653415 MBEJTFYSKMTNSG-MRXNPFEDSA-N 370.405 3.636 5 50 FHBA CCOc1cc2c(cc1OCC)[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2 17073568 QYVRWMVTOHRERQ-AWEZNQCLSA-N 356.378 3.866 5 50 FHBA COc1cccc(NC(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 17138160 RKCUHGAIJIQINW-UHFFFAOYSA-N 371.378 3.766 5 50 FHBA O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc([N+](=O)[O-])c1 1183551 HSRPWUQGWJIRFM-RMKNXTFCSA-N 361.810 3.775 5 50 FHBA COc1ccc(NC(=O)c2ccccc2Br)cc1[N+](=O)[O-] 4841333 HRTLIVVWJMKNKN-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA CSC[C@H](Cc1cccs1)Nc1ncnc2cc([N+](=O)[O-])ccc12 2325862057 HVSBHZOGPMXUAU-NSHDSACASA-N 360.464 3.986 5 50 FHBA COc1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3Cl)n2)cc1OC 1167046 DSVCYTWCVAHNFO-UHFFFAOYSA-N 361.741 3.982 5 50 FHBA COc1cc(Cl)c(C)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 951514 OSZHEKMLUVYDFU-UHFFFAOYSA-N 350.758 3.583 5 50 FHBA Cc1ccc(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1 2843174 MWMRBXNCDRHBPG-UHFFFAOYSA-N 370.224 3.640 5 50 FHBA O=C1S/C(=C2/C(O)=Nc3ccc([N+](=O)[O-])cc32)C(=O)N1c1ccccc1 15659871 JJOFXRULKPPDAE-BUHFOSPRSA-N 367.342 3.808 5 50 FHBA C[C@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 5060112 PGEQWOMXYYSWDJ-JTQLQIEISA-N 365.183 3.763 5 50 FHBA O=C(NCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccc(F)c1 4688228 OTBJFCLEOZKIOJ-UHFFFAOYSA-N 371.290 3.595 5 50 FHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1F 1185568 UIKZBKLOIRENJP-UHFFFAOYSA-N 369.146 3.514 5 50 FHBA O=C(Nc1sccc1C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccnc1 4750514 QFGXOGFMNBFZNP-UHFFFAOYSA-N 368.374 3.556 5 50 FHBA CCOc1cc([N+](=O)[O-])cc2cc(-c3nc4ccccc4[nH]3)c(=O)oc12 1061615 PUFXGHJGVDSVBO-UHFFFAOYSA-N 351.318 3.643 5 50 FHBA O=C(O)CCCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2978306 IXUQUZXFSJGBDN-UHFFFAOYSA-N 360.391 3.939 5 50 FHBA COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCCN(C)C)c2c1 3778885 HZCWPKGYTCJSEB-UHFFFAOYSA-N 367.409 3.539 5 50 FHBA investigational COc1ccc(Nc2ncnc(Nc3ccc(OC)cc3)c2[N+](=O)[O-])cc1 3877601 DYWRYWHSMAFJIW-UHFFFAOYSA-N 367.365 3.889 5 50 FHBA Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 4806802 LWTPSCNCBBESJM-UHFFFAOYSA-N 352.350 3.525 5 50 FHBA CCn1cc(C(=O)O)c(=O)c2cc(-c3ccc([N+](=O)[O-])o3)c(Cl)cc21 5073749 DWXHUDQJCDWIQM-UHFFFAOYSA-N 362.725 3.541 5 50 FHBA Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 246088048 IKKJOMRHSOIOIX-ZTFGCOKTSA-N 358.438 3.598 5 50 FHBA O=C(NC(=S)Nc1cccc2ccccc12)c1ccccc1[N+](=O)[O-] 672509 INGMJINETGHLOQ-UHFFFAOYSA-N 351.387 3.875 5 50 FHBA O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCSc1ccccc1 6597933 HBDZYZBQBZBNTP-UHFFFAOYSA-N 362.476 3.737 5 50 FHBA CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)C12CCCCC2 170638944 UAKFENKKHXGGRL-DLBZAZTESA-N 364.417 3.934 5 50 FHBA COc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1OC 4755599 CXCHEJOTZXCMMW-UHFFFAOYSA-N 350.758 3.826 5 50 FHBA COc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1 1156973 MZXCRYNBUQWDDY-XBXARRHUSA-N 362.769 3.917 5 50 FHBA CCCC(=O)N[C@@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 3018979 BOXPMWYWXSHDQN-NSHDSACASA-N 355.605 3.586 5 50 FHBA NC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCCCC2 1199999 CGGNDUKWQOVKLT-UHFFFAOYSA-N 373.434 3.667 5 50 FHBA Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)Nc1ccc(F)cc1F 2796326 UARANNWMWYYKIX-UHFFFAOYSA-N 372.331 3.679 5 50 FHBA O=C(OC12C([C@H]3CC[C@H]1C3)[C@H]1CC[C@H]2C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 247318518 LDZOXEWMYRHCRB-GQGHBHCHSA-N 372.377 3.875 5 50 FHBA CCOc1cc(/C=C\[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C 4545126 WKDAPNQXQZDJTM-KHPPLWFESA-N 356.378 3.659 5 50 FHBA CCC[C@@H](C)c1nnc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 1049178 XVJIUICIAVUVLS-SECBINFHSA-N 350.400 3.611 5 50 FHBA O=C(NCCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 4573392 XVLSOUBPNFBZJH-UHFFFAOYSA-N 351.765 3.619 5 50 FHBA O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cccc(Br)c1 5713840 BEJOJCUVVNGMQB-NTEUORMPSA-N 373.162 3.702 5 50 FHBA O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 4703607 LBDMYFLTEGQVCG-UHFFFAOYSA-N 354.193 3.744 5 50 FHBA Nc1c(C(=O)Nc2ccccc2)sc2cc([N+](=O)[O-])cc([N+](=O)[O-])c12 3617460 XUUUXIPKMHJLDS-UHFFFAOYSA-N 358.335 3.552 5 50 FHBA CCN1C(=O)c2cccc3c(NC(=O)c4cccc([N+](=O)[O-])c4)ccc1c23 755059 UVVNLOBNMSVJMR-UHFFFAOYSA-N 361.357 3.980 5 50 FHBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CNc1cccc(Cl)c1Cl 990293 MNEAHKZLUKVTFA-UHFFFAOYSA-N 366.160 3.567 5 50 FHBA COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1122412 HXEOPWBXLHCORY-UHFFFAOYSA-N 366.329 3.894 5 50 FHBA O=C1NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S1 1231362 GQINGBJFMMILFF-WUXMJOGZSA-N 350.739 3.832 5 50 FHBA O=[N+]([O-])c1cccnc1N1CCC(c2cc(-c3cccs3)[nH]n2)CC1 20405460 OIXUTXCOFQIBCV-UHFFFAOYSA-N 355.423 3.825 5 50 FHBA COc1cccc(CCNc2nc3cc(C(=O)O)ccc3c3cncnc23)c1 1875328718 JLSRVJYBKQUFNV-UHFFFAOYSA-N 374.400 3.539 5 50 FHBA COC(=O)c1ccc(Sc2nc(-c3ccccc3)c[nH]2)c([N+](=O)[O-])c1 1066345 JNFVDTWJQMRGHP-UHFFFAOYSA-N 355.375 3.923 5 50 FHBA O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1 1152737 BPLBFUDVBKXUIE-UHFFFAOYSA-N 367.405 3.910 5 50 FHBA Cc1c(C(=O)OCc2ccc(C(=O)OC(C)C)cc2)cccc1[N+](=O)[O-] 1130244 VNGNJNQTPCCANC-UHFFFAOYSA-N 357.362 3.825 5 50 FHBA Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 5041509 ZRCGDVPLHIMGGJ-UHFFFAOYSA-N 360.313 3.723 5 50 FHBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1ccc(Cl)cc1 4551569 VGUZJZDJISYOND-ZDUSSCGKSA-N 359.813 3.599 5 50 FHBA O=[N+]([O-])c1ccc(N2CCCC2)cc1N1CCN(c2ccccc2)CC1 4881833 RVAJHSHDPIWFGE-UHFFFAOYSA-N 352.438 3.522 5 50 FHBA CCCCC(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 2857684 ISKZKJUJFIQECB-UHFFFAOYSA-N 371.393 3.984 5 50 FHBA Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccccc2Cl)CC1 4125042 PQMGVRAGWRDFPE-UHFFFAOYSA-N 359.813 3.519 5 50 FHBA Cc1ccc(C(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 4978717 WERMJLHQEVSMMB-GJZGRUSLSA-N 354.406 3.748 5 50 FHBA CCc1cc(=O)oc2c(C)c(OCC(=O)c3cccc([N+](=O)[O-])c3)ccc12 2854109 KIRVLZCBRFXHRD-UHFFFAOYSA-N 367.357 3.834 5 50 FHBA Cc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C 881428 MIZQQJYPCPERKU-UHFFFAOYSA-N 363.826 3.992 5 50 FHBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1C(=O)c1ccccc1 4575585 VELBZZSRJLLDKR-ZDUSSCGKSA-N 359.813 3.599 5 50 FHBA COCCCNc1ccc(C(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-] 4810550 FCHHYYCKTIPPNS-UHFFFAOYSA-N 369.421 3.636 5 50 FHBA O=[N+]([O-])c1ccc(-c2nn3c(CCc4ccccc4)nnc3s2)cc1 4866759 SDDRRDRLMMPRSD-UHFFFAOYSA-N 351.391 3.546 5 50 FHBA O=C(NCc1cccnc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 4819078 ABQAHKKUPFCKQJ-DEDYPNTBSA-N 359.385 3.847 5 50 FHBA CN1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1 4499250 MDKRJVYHNBQWOY-UHFFFAOYSA-N 360.845 3.612 5 50 FHBA COc1ccc([N+](=O)[O-])cc1NC1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 101000436 UEORSABWIKKTGT-HRCADAONSA-N 357.454 3.692 5 50 FHBA COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 5049859 XVINPRCDSCIQTI-UHFFFAOYSA-N 355.394 3.846 5 50 FHBA CC(C)(C)C(=O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1109520 RZVPFOYFUFHYGY-UHFFFAOYSA-N 356.378 3.841 5 50 FHBA COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Br 1186402 OECZCNJWHAGQMR-UHFFFAOYSA-N 369.146 3.757 5 50 FHBA COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c([N+](=O)[O-])c1 4869226 XHOMMFLDGQQOTD-NSHDSACASA-N 364.785 3.971 5 50 FHBA CCOc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)c([N+](=O)[O-])c1 5464902 OHRWWIAUGROTMI-UHFFFAOYSA-N 362.341 3.947 5 50 FHBA CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2s1 2886329 LCZXVSNFHWUKMF-UHFFFAOYSA-N 374.378 3.788 5 50 FHBA CC(C)(C)c1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O)cc1 4755879 WDDSHNAQHRVIRM-ATVHPVEESA-N 368.389 3.748 5 50 FHBA COc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c([N+](=O)[O-])cc1OC 221970065 AFKHDRXKZQRWRH-XNPNBVRTSA-N 362.426 3.557 5 50 FHBA C[C@](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)(C1CC1)C(F)(F)F 471136332 JXMNNXYUEDAZIA-HNNXBMFYSA-N 357.332 3.630 5 50 FHBA O=C(O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 222280075 GXLNKGYTGQCCLQ-ZTFGCOKTSA-N 354.362 3.928 5 50 FHBA CCc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2oc1=O 1110212 FULORMIYPRDVFM-UHFFFAOYSA-N 368.345 3.525 5 50 FHBA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc([N+](=O)[O-])cc1 4685155 HEOVVGSRBPVPAL-UHFFFAOYSA-N 366.377 3.696 5 50 FHBA CCN(CC)c1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 1172485 ZADMPTCZHLRKLC-UHFFFAOYSA-N 372.450 3.568 5 50 FHBA O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 825810 FBMRZUPLOAPHLO-UHFFFAOYSA-N 362.407 3.562 5 50 FHBA O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1[N+](=O)[O-] 1067640 PCKLUCOIGRDJDF-UHFFFAOYSA-N 353.762 3.514 5 50 FHBA CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 2890173 ZGXKAZQMVHDDOL-UHFFFAOYSA-N 368.418 3.848 5 50 FHBA Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2cc(F)ccc12 4982318 BFGRNPMHSSRXLJ-UHFFFAOYSA-N 366.396 3.917 5 50 FHBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(Cl)cc2)CC1 1112177 HLPZPPANVGOQCO-XCVCLJGOSA-N 371.824 3.610 5 50 FHBA O=C(NCCSCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 2991021 LVGNMWNUBRFFOU-UHFFFAOYSA-N 350.827 3.911 5 50 FHBA CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 4913421 HOYBASCFOJZPSD-INIZCTEOSA-N 372.421 3.738 5 50 FHBA O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2CCOC3(CCCCC3)C2)n1 408448218 QNOMHVZEIOFEES-BRWVUGGUSA-N 362.474 3.747 5 50 FHBA O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccccc1[N+](=O)[O-] 1053665 JTSINMKPMCCIRK-UHFFFAOYSA-N 356.769 3.745 5 50 FHBA CC1(C)c2cc([N+](=O)[O-])ccc2N2Cc3cc([N+](=O)[O-])ccc3O[C@@]21C 44127146 UCOSCQHFNIEATI-GOSISDBHSA-N 355.350 3.909 5 50 FHBA O=C(Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1)Nc1ccccc1F 17180841 YMYUOCWPHDQFRU-UHFFFAOYSA-N 373.369 3.820 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Cl)cc1C 4040205 KLHLIOFMIZANBD-UHFFFAOYSA-N 350.758 3.583 5 50 FHBA O=[N+]([O-])c1ccccc1CN1CCC(N2CCc3ccccc3C2)CC1 4744589 CEASBSABHOIRQB-UHFFFAOYSA-N 351.450 3.618 5 50 FHBA CCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 1513022 RTDHBJKIWHDWMU-AWEZNQCLSA-N 371.378 3.655 5 50 FHBA CCOc1cc2c(cc1OCC)[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2 4912914 TWCGQUAIASWYBF-CQSZACIVSA-N 356.378 3.866 5 50 FHBA O=C(COC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 891979 AABPCJFVLDUVQS-UHFFFAOYSA-N 354.145 3.941 5 50 FHBA CC(=O)[C@@H](C)Oc1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 1134029 DKNRTPRVEOWASV-GFCCVEGCSA-N 353.330 3.725 5 50 FHBA Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 2857054 NMBIHJCKTQFVEM-UHFFFAOYSA-N 374.828 3.911 5 50 FHBA CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1OC 241776837 RTBSBXGIFSPDHB-AQDIXCGQSA-N 374.437 3.557 5 50 FHBA CCO[C@H]1C[C@H](NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C12CCCCC2 170678983 VVRUCPXBNXHRDC-HOTGVXAUSA-N 368.380 3.731 5 50 FHBA O=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1 1022421 UTBITCARMYVFAD-WUXMJOGZSA-N 350.739 3.832 5 50 FHBA COCCCNc1nc2c(s1)c(=O)[nH]c1c2sc2nc(C)cc(C)c21 20606908 ONMOURNHIUWUHR-UHFFFAOYSA-N 374.491 3.813 5 50 FHBA O=[N+]([O-])c1cccc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)c1 1147498 FYRUYOJJMQELLD-OAHLLOKOSA-N 350.378 3.796 5 50 FHBA Cc1cc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 4289707 HYHGTFQKFHKDNH-UHFFFAOYSA-N 354.815 3.974 5 50 FHBA CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4904216 ZBCSUCUGKWCXMA-OAHLLOKOSA-N 356.407 3.981 5 50 FHBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C1(c2ccccc2)CCOCC1 5014176 LAMWTKSBCGDLGI-UHFFFAOYSA-N 360.797 3.935 5 50 FHBA Cc1cc(OCC(=O)N2CCC(C)CC2)cc2oc(=O)c3ccccc3c12 1131183 WGWADWZNBWURNA-UHFFFAOYSA-N 365.429 3.892 5 50 FHBA Nc1nc2c(c3c1c(=O)oc1ccc(Br)cc13)CCCCC2 19015046 OIURTPKXSOEOTR-UHFFFAOYSA-N 359.223 3.955 5 50 FHBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc(OC(C)C)c1 4687324 RVQOMIHVAICBQR-UHFFFAOYSA-N 373.434 3.817 5 50 FHBA O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4851394 SJBDVQIVBIBALF-CYBMUJFWSA-N 369.255 3.536 5 50 FHBA Cc1nc(-c2cccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c2)n[nH]1 182981156 XLXJDCZUYBSIRE-SNVBAGLBSA-N 369.356 3.570 5 50 FHBA COc1ccc(-c2c3cnn(C)c3nc3c2oc2cc(O)cc(O)c23)cc1 263586524 VGPOQUMIELIZRF-UHFFFAOYSA-N 361.357 3.955 5 50 FHBA biogenic CN(CCOc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])cc(F)c1F 408512942 UUZYERRHOCXFLE-UHFFFAOYSA-N 370.739 3.677 5 50 FHBA O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)cc1Cl 4357991 IPLLMQIQQIJCNP-UHFFFAOYSA-N 369.755 3.758 5 50 FHBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccnc1NCCc1ccccc1 19848991 SRBVUALWXHDYEJ-UHFFFAOYSA-N 362.389 3.897 5 50 FHBA COC(=O)c1ccc(C)c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 980255 YXNXHRNDYGHOLH-UHFFFAOYSA-N 374.418 3.562 5 50 FHBA O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1144971 OWGPMMPNKQCKMU-UHFFFAOYSA-N 353.762 3.514 5 50 FHBA CS(=O)(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1792939 WEKHSHMCROYTRB-UHFFFAOYSA-N 366.445 3.759 5 50 FHBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1c(F)c(F)c(F)c(F)c1F 2085536 OWHKUDCKDYFZDP-UHFFFAOYSA-N 350.174 3.682 5 50 FHBA C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 5060017 FBMQCLBPIWNULU-JTQLQIEISA-N 365.183 3.763 5 50 FHBA O=C(CC12CC3CC(CC(C3)C1)C2)NCCNc1ccc([N+](=O)[O-])cc1 4703732 FDAXSSBIWXMUPQ-UHFFFAOYSA-N 357.454 3.729 5 50 FHBA COc1cc(C)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C 55543227 MWVCDUNVZBPCBL-UHFFFAOYSA-N 355.438 3.542 5 50 FHBA COc1ccc(-c2nsc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])n2)cc1 172973926 VWBJHJOKVBTOJI-UHFFFAOYSA-N 370.390 3.683 5 50 FHBA C[C@H]1CCN(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](C)C1 837525 HGOKTMDWWYWYHL-QWRGUYRKSA-N 365.480 3.944 5 50 FHBA CCc1c(C)sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C(N)=O 1116594 NMRKQNIQJIMBHK-UHFFFAOYSA-N 367.814 3.532 5 50 FHBA Cc1ccc([C@H]2N(c3ccc([N+](=O)[O-])cc3)C(=S)N3CCCN23)cc1 4845726 YABIUEWYLJPONW-QGZVFWFLSA-N 354.435 3.630 5 50 FHBA O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 1127590 METSMKGKLPHBGT-UHFFFAOYSA-N 367.405 3.863 5 50 FHBA O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 4663131 FUKIRCBPDDHIIF-XCVCLJGOSA-N 361.810 3.775 5 50 FHBA O=[N+]([O-])c1nn(Cc2ccc(Cl)cc2Cl)cc1Br 2735513 UONUEBOWLPBILK-UHFFFAOYSA-N 350.987 3.909 5 50 FHBA COc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 5094716 IIYSBTFBTQSNJP-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA O=c1c2cccc3cccc(c32)c2nc3ncc(Br)cc3n12 6686448 UXEXCBQYFBDRCG-UHFFFAOYSA-N 350.175 3.749 5 50 FHBA Cn1cccc1-c1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2[nH]1 13143482 BXKIOAHCBRBFIV-UHFFFAOYSA-N 361.361 3.729 5 50 FHBA CC[N+](CC)(CC)CCCCCC(=O)NC1CC(C)(C)N([O])C(C)(C)C1 103683313 GMOOYWVPNJZOKR-UHFFFAOYSA-O 369.594 3.907 5 50 FHBA O=c1[nH]nc(-c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)c2ccccc12 4148839 KSJAPDSBNRAIDD-UHFFFAOYSA-N 373.372 3.505 5 50 FHBA Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(-n2nc3ccccc3n2)c1 2751239 LJKLDIMZZMGDKU-UHFFFAOYSA-N 374.356 3.856 5 50 FHBA O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1cccc([N+](=O)[O-])c1 4247937 LJVJPXBUJAZCRR-UHFFFAOYSA-N 359.345 3.557 5 50 FHBA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]21 239309191 HGNVSTHRDNMEFZ-WVATUKLVSA-N 358.781 3.506 5 50 FHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)c2cccc3cccc1c23 2852488 VWFPSVIKIIMCEP-UHFFFAOYSA-N 361.357 3.655 5 50 FHBA Cc1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1C 1180543 VKWGHJSYCOSCON-VQHVLOKHSA-N 355.419 3.738 5 50 FHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1N1CCCCC1 1131670 YUCFAUHGAPBKSF-UHFFFAOYSA-N 355.394 3.603 5 50 FHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(Br)c1 4016097 XSYCPXYGPBYEKT-UHFFFAOYSA-N 351.156 3.618 5 50 FHBA O=[N+]([O-])c1ccc(-c2cc(O)n3nc(-c4ccc(F)cc4)cc3n2)cc1 8829051 DUKUYCGQPVOCKR-UHFFFAOYSA-N 350.309 3.816 5 50 FHBA aggregator COC(=O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 1079776 HNAYZYLSDPJKDC-UHFFFAOYSA-N 370.206 3.673 5 50 FHBA COc1ccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])c1 3833449 ZBKUEVHLNJMLDT-UHFFFAOYSA-N 372.406 3.519 5 50 FHBA CCN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Cl)cc2)CC1 4499257 WTPMCLVFWZNZLZ-UHFFFAOYSA-N 373.840 3.621 5 50 FHBA CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 1443866307 AVPZPMNBDUGQGY-UYHISHBKSA-N 356.378 3.997 5 50 FHBA O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4851393 SJBDVQIVBIBALF-ZDUSSCGKSA-N 369.255 3.536 5 50 FHBA Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2C[C@@H](C)O[C@H](C)C2)cc1 4978584 AUPNBNMVMZEFDS-HUUCEWRRSA-N 354.406 3.748 5 50 FHBA O=[N+]([O-])c1cnc(Oc2ccc(-n3cccn3)cc2)c(Br)c1 301578992 ZQFASDDNWPPNDE-UHFFFAOYSA-N 361.155 3.730 5 50 FHBA COc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1Br 673894 RAWHUMGAPBTYPB-UHFFFAOYSA-N 352.140 3.585 5 50 FHBA COc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-] 4980340 BHSJSLHXTPMHAY-UHFFFAOYSA-N 358.375 3.557 5 50 FHBA Cc1ccccc1NC(=O)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1 2238528 NRBQQTZGXGKXJN-UHFFFAOYSA-N 369.406 3.990 5 50 FHBA O=C(CCC(=O)OCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1 4832084 SGAUEXLVZIKQPS-UHFFFAOYSA-N 362.769 3.710 5 50 FHBA Cc1cccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)c1C 1198817 XWCBSVLTKBEFJZ-UHFFFAOYSA-N 373.840 3.827 5 50 FHBA O=[N+]([O-])c1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 4999102 REVBLPLNPVYIBU-UHFFFAOYSA-N 370.478 3.546 5 50 FHBA