smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1[N+](=O)[O-] 1065432 DHUHSXMWUIBQLU-UHFFFAOYSA-N 389.436 4.802 5 50 GJBA COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 13659611 FODXEOIVLZWUAS-UHFFFAOYSA-N 399.230 4.708 5 50 GJBA Cc1ccccc1-n1c(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 4785200 VFPZXYXMXJQXHC-BUHFOSPRSA-N 383.407 4.773 5 50 GJBA COc1cc(CN[C@@H](Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC 19721050 GPNCSTLNRCRZCD-FQEVSTJZSA-N 392.455 4.686 5 50 GJBA CCOc1c(Cl)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1Cl 1125548 RHBRPJQYSOMZQS-UHFFFAOYSA-N 385.203 4.561 5 50 GJBA CN(C(=O)c1cc2ccccc2c2cccnc12)[C@@H]1CCN(Cc2ccccc2)C1 475323181 XBHZMKCABKPCFM-OAQYLSRUSA-N 395.506 4.735 5 50 GJBA CCn1c(COc2cccc(C)c2C)nnc1SCc1ccc([N+](=O)[O-])cc1 1123557 CNGMFXDHONSCPP-UHFFFAOYSA-N 398.488 4.694 5 50 GJBA O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(Br)cc3)o2)cc1 2860579 HWZPWDOZQQEHRY-UHFFFAOYSA-N 392.234 4.700 5 50 GJBA O=[N+]([O-])c1cccc(-c2cs/c(=N\Cc3cccnc3)n2-c2ccccc2)c1 101137344 SAXAJNCMTFWNEP-LNVKXUELSA-N 388.452 4.610 5 50 GJBA CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 4038393 ZFJBWCLRKZHAKJ-UHFFFAOYSA-N 390.439 4.938 5 50 GJBA CCNc1nc2c(s1)c(=O)[nH]c1c2sc2nc(C(F)F)cc(C3CC3)c21 20607481 XDMSXZUXLRARII-UHFFFAOYSA-N 392.456 4.994 5 50 GJBA O=C1c2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@@H](c2ccccc2)N1c1ccccc1 5090927 IZAIDELMEMUXIA-JOCHJYFZSA-N 396.406 4.735 5 50 GJBA Cc1nn(C(=O)/C=C/c2ccccc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 4174818 MUEGXXVMBRNLIT-MDWZMJQESA-N 379.441 4.913 5 50 GJBA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Br)c([N+](=O)[O-])c1 990561 LCZUFGKPWKKIFL-UHFFFAOYSA-N 389.127 4.628 5 50 GJBA O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCc3ccccc3[N+](=O)[O-])c2)o1 5013927 AFGBJKCIPRYTLX-UHFFFAOYSA-N 385.759 4.678 5 50 GJBA C[C@@H]1[C@@H](N2C(=O)C3=C(CCCC3)[C@@H]2Nc2ccc([N+](=O)[O-])cc2)CCC[C@H]1C 239203161 RVJZQWYATNDBQG-UGCQDJOBSA-N 383.492 4.870 5 50 GJBA C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3[nH]2)c2ccccc21 2325862458 UYYRAEHXPGPOMT-JTQLQIEISA-N 389.333 4.859 5 50 GJBA COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 1073244 WXCVDRRPMUXUKB-BQYQJAHWSA-N 378.222 4.593 5 50 GJBA Cc1occc1-c1nnc2sc(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nn12 2706906 YFBFFLLRLGZFIW-UHFFFAOYSA-N 393.384 4.589 5 50 GJBA O=C(OCC12C3c4ccccc4[C@@H]1[C@H]2c1ccccc13)c1ccc([N+](=O)[O-])cc1 105026584 PUCXQQXPKBPWFS-VCUAKTQDSA-N 383.403 4.778 5 50 GJBA O=C(Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1)c1cc2ccccc2o1 4539405 XKPZYBNCAYTHAH-UHFFFAOYSA-N 379.397 4.641 5 50 GJBA O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(Cl)cc1[N+](=O)[O-] 1140207 XZELDVGDBJEFOT-UHFFFAOYSA-N 395.774 4.902 5 50 GJBA O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccc([N+](=O)[O-])cc1 1188622 GQJYBJSDMFIWBP-UKTHLTGXSA-N 384.800 4.807 5 50 GJBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H](Cc1ccccc1)c1ccccc1 3086048 PBGMZIJWHQNIQD-LJQANCHMSA-N 379.391 4.839 5 50 GJBA Cc1ccc(-c2nc3cccnc3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 5102962 FHOOGUVAVAYTOP-UHFFFAOYSA-N 388.383 4.667 5 50 GJBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(C2CCCCC2)cc1 6675597 HZEVQTZFQZFGQX-UHFFFAOYSA-N 384.432 4.669 5 50 GJBA Cn1c(Cc2cccc3ccccc23)nnc1SCc1ccc([N+](=O)[O-])cc1 1144685 LMIVUQQWPJAZGD-UHFFFAOYSA-N 390.468 4.760 5 50 GJBA O=C(O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1Cc3ccccc3[C@@H]21 5063655 WLYDIAWGBKMKGM-PCCBWWKXSA-N 386.407 4.764 5 50 GJBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(OCc2ccccc2)cc1 17080340 UIFFUILZWWNQRG-UHFFFAOYSA-N 393.399 4.826 5 50 GJBA COc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)c1ccccc1 1752569 VBGUGYKZDFXOIP-UHFFFAOYSA-N 377.400 4.842 5 50 GJBA COC(=O)c1cc(COc2ccc3c(oc(=O)c4ccccc43)c2C)c(C)o1 1149910 HETVBKYSGRYELE-UHFFFAOYSA-N 378.380 4.522 5 50 GJBA biogenic Cc1cccc(N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)c1C 4980419 UVRYLEUFUDOZIF-UHFFFAOYSA-N 391.471 4.794 5 50 GJBA C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 1108316 YZJDSYDOPXQUAR-MRXNPFEDSA-N 376.412 4.916 5 50 GJBA O=C(Nc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1Br 1187248 WTERGWTXVZCQOT-UHFFFAOYSA-N 390.020 4.916 5 50 GJBA Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1 1211099 GRBORWAAUTWVSF-UHFFFAOYSA-N 389.411 4.716 5 50 GJBA O=C(NCc1ccco1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl 6700822 APINRYFUTITSGV-UHFFFAOYSA-N 388.832 4.922 5 50 GJBA O=C(OC[C@]12[C@@H]3c4ccccc4[C@@H]1c1ccccc1[C@@H]32)c1ccc([N+](=O)[O-])cc1 257357766 PUCXQQXPKBPWFS-QQHARNDCSA-N 383.403 4.778 5 50 GJBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 104238932 XYHLXVACXKGEHH-UHFFFAOYSA-N 396.315 4.947 5 50 GJBA Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 1129298 HTIREHSKIVWRSY-UHFFFAOYSA-N 395.271 4.989 5 50 GJBA CCOc1cc2c(cc1OCC)[C@H](c1cc([N+](=O)[O-])ccc1Cl)CC(=O)N2 4915109 QGPBAVOHLVKARO-LBPRGKRZSA-N 390.823 4.520 5 50 GJBA O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1Cl 4964435 FRHNFDHOMZOKHT-UHFFFAOYSA-N 390.020 4.916 5 50 GJBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCCc2ccccc2)cc1 4014315 CNNLCKVBODWNOD-UHFFFAOYSA-N 375.428 4.810 5 50 GJBA COc1cc([N+](=O)[O-])ccc1NC(=O)CC(c1ccccc1)c1ccccc1 4599625 VPBIVYIPFKXXRJ-UHFFFAOYSA-N 376.412 4.764 5 50 GJBA O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4677107 GEBCZZCIRNUETD-UHFFFAOYSA-N 380.231 4.754 5 50 GJBA CC(=O)c1cccc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 894463 QLVDEZPNDJUKAP-UHFFFAOYSA-N 376.368 4.842 5 50 GJBA O=C(COc1ccccc1[N+](=O)[O-])N1c2ccccc2Sc2ccccc21 1218765 SOXKZEAFCSJGQV-UHFFFAOYSA-N 378.409 4.803 5 50 GJBA O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 4983871 YFULFFCDODWYKK-UHFFFAOYSA-N 393.365 4.856 5 50 GJBA CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccc(C(C)(C)C)cc12 4542464 APLONGBDYGBERU-UHFFFAOYSA-N 394.427 4.553 5 50 GJBA O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc([N+](=O)[O-])cc1 1155372 KTWGHBUPZDVYIZ-UHFFFAOYSA-N 377.331 4.794 5 50 GJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 4423121 WKZSOFYMKRLXSZ-MRXNPFEDSA-N 376.412 4.976 5 50 GJBA Cc1cccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])C2)c1 252482376 DEBDPZLGYZUWBL-JOCHJYFZSA-N 385.423 4.895 5 50 GJBA Cc1ccc(Oc2cccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2)cc1C 1233017 LQRDIHYVZHMVPU-UHFFFAOYSA-N 388.379 4.805 5 50 GJBA O=[N+]([O-])c1ccc(-c2noc(-c3cc(Br)ccc3Cl)n2)cc1 1116231 VGGNTSLDDMUZQL-UHFFFAOYSA-N 380.585 4.728 5 50 GJBA Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 1187866 MSZKIUONMMZIED-UHFFFAOYSA-N 387.848 4.901 5 50 GJBA CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1221368 VPSNLSSXTIAFHS-OAQYLSRUSA-N 389.411 4.765 5 50 GJBA CCCc1cc(=O)oc2c(C)c(OCc3cc([N+](=O)[O-])ccc3OC)ccc12 1161511 MEHGCSACRFGTGX-UHFFFAOYSA-N 383.400 4.550 5 50 GJBA O=C(c1cccs1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1[N+](=O)[O-] 1220014 XALZTPPSODKXFJ-SFHVURJKSA-N 377.425 4.648 5 50 GJBA CCOc1ccc(NC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4542786 QTQSODZMDIGTBD-ACCUITESSA-N 378.384 4.905 5 50 GJBA CCN(C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 4821370 CADQJASNCBBHSQ-UHFFFAOYSA-N 389.411 4.514 5 50 GJBA COc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 754260 XZMLACTWMHHMBZ-UHFFFAOYSA-N 380.375 4.590 5 50 GJBA CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc([N+](=O)[O-])c1 949289 OUPDIHWFPVJFFP-UHFFFAOYSA-N 396.424 4.752 5 50 GJBA COc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccc(C(C)(C)C)cc1 4042012 JFEZJVZQXXAZDL-UHFFFAOYSA-N 386.448 4.699 5 50 GJBA O=c1oc2c3c(ccc2c2ccccc12)OCN(Cc1ccc(Cl)cc1)C3 19882352 DURAYQOKZKMROQ-UHFFFAOYSA-N 377.827 4.952 5 50 GJBA biogenic Cc1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1-c1cccc2ccccc12 100581736 HKVZRTYMYIIQRB-UHFFFAOYSA-N 396.406 4.726 5 50 GJBA COc1ccc(-c2c3cn[nH]c3nc3c2oc2c(C)c(O)ccc23)cc1OC 218168303 RXVHGEMMWJLZJT-UHFFFAOYSA-N 375.384 4.556 5 50 GJBA O=C(Nc1ccc(Cl)cc1F)c1ccc(COc2ccccc2[N+](=O)[O-])o1 1083440 LICSXYAYIPHQSY-UHFFFAOYSA-N 390.754 4.812 5 50 GJBA COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccccc1[N+](=O)[O-] 4776868 MGRCRXOSKHSCBC-UHFFFAOYSA-N 389.367 4.664 5 50 GJBA COc1cccc2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)c(=O)oc12 2878969 GFYDYKIGUWLFRT-UHFFFAOYSA-N 380.381 4.500 5 50 GJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 4423123 WKZSOFYMKRLXSZ-INIZCTEOSA-N 376.412 4.976 5 50 GJBA O=C(/C=C/c1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1Br 4040792 ZNDURDFWQHRJKR-VMPITWQZSA-N 381.613 4.663 5 50 GJBA O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)/C=C/c3ccccc3)cc2)cc1 1229563 CZNSLCQKCSBINI-CCEZHUSRSA-N 381.409 4.832 5 50 GJBA O=C(CCCOc1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 1777517 DSHAXHYFTLGJEC-UHFFFAOYSA-N 391.836 4.656 5 50 GJBA Cc1cc(OC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)cc1Br 2156121 YUZIUAZGAFVFQE-UHFFFAOYSA-N 379.210 4.893 5 50 GJBA COCc1nc2cc(NC(=O)c3cc4ccccc4c4cccnc34)ccc2o1 225458090 CMAUHODNLDCLSU-UHFFFAOYSA-N 383.407 4.928 5 50 GJBA O=c1c2ccccc2c(=O)c2c1c(N1CCCC1)cc1oc3ccccc3[nH]c12 4311612 JFQKPJUUDGSTRY-UHFFFAOYSA-N 382.419 4.541 5 50 GJBA Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)cc1C 1154136 AYPJOZJTCUFSDZ-UHFFFAOYSA-N 388.379 4.805 5 50 GJBA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 942088 NDFJNUIMMZYSON-UHFFFAOYSA-N 396.424 4.752 5 50 GJBA COc1ccc(-c2cc(-c3ccccc3)n3c(=O)c4ccccc4nc3n2)cc1 1064377 UBQCFCVCWQGISP-UHFFFAOYSA-N 379.419 4.585 5 50 GJBA O=[N+]([O-])c1ccc(N2COc3ccc4cc(Br)ccc4c3C2)cc1 4706862 WARPTVPTMKHUIR-UHFFFAOYSA-N 385.217 4.867 5 50 GJBA O=C(Oc1cccc(Nc2ncnc3ccccc23)c1)c1ccc([N+](=O)[O-])cc1 949626 BYKBIYRXUDLBOW-UHFFFAOYSA-N 386.367 4.501 5 50 GJBA O=C1c2ccc(Oc3ccc(Cl)cc3)cc2C(=O)N1c1cccc([N+](=O)[O-])c1 1118913 LMKVFYROFHLVKW-UHFFFAOYSA-N 394.770 4.841 5 50 GJBA O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1ccc([N+](=O)[O-])cc1 955641 KGRKYAKMGKZZEB-UHFFFAOYSA-N 397.843 4.735 5 50 GJBA O=C(c1cccs1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1[N+](=O)[O-] 1220013 XALZTPPSODKXFJ-GOSISDBHSA-N 377.425 4.648 5 50 GJBA O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1cc([N+](=O)[O-])ccc1Cl 669444 SIYVKSHJFMRXFE-UHFFFAOYSA-N 395.774 4.902 5 50 GJBA O=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccccc1Cl 1219044 HBXREDQMILCMTN-UHFFFAOYSA-N 395.802 4.753 5 50 GJBA O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1216724 XSWCXZCNKFDLJR-GKZQGBICSA-N 386.363 4.864 5 50 GJBA CCCc1ccc(OCc2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 6400055 FHINSBDICRBEKJ-UHFFFAOYSA-N 380.400 4.972 5 50 GJBA Cc1ccc([C@@H](C)NC(=O)c2cccnc2Nc2cccc(F)c2)cc1[N+](=O)[O-] 170653410 LSEAWXVIXFHQCG-CQSZACIVSA-N 394.406 4.672 5 50 GJBA Cc1ccccc1OCC(=O)Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1 851697 TXXLNHKJDWTMNG-UHFFFAOYSA-N 378.384 4.713 5 50 GJBA CC1(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])COC(c2ccccc2)OC1 4846176 AJINOLUGATWNQO-UHFFFAOYSA-N 382.338 4.530 5 50 GJBA O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(Cl)cc1[N+](=O)[O-] 2860532 JJEBTHSNCXTLDR-UHFFFAOYSA-N 377.787 4.614 5 50 GJBA O=C(c1ccccc1)C(Sc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 100660009 NOQKQQXIUIIUJP-UHFFFAOYSA-N 377.421 4.821 5 50 GJBA COc1cccc(-c2c3c(=O)c4ccccc4c3nc3c2c(=O)c2ccccc23)c1 2026776 YDAFUJNACUINBU-UHFFFAOYSA-N 389.410 4.966 5 50 GJBA O=C(c1ccccc1Sc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 1146107 WVTWYBZXENYROI-UHFFFAOYSA-N 390.464 4.945 5 50 GJBA O=C(Nc1ccccc1Br)c1cc2c(ccc3ccccc32)oc1=O 4589984 SCGMVZWIRXCEQQ-UHFFFAOYSA-N 394.224 4.961 5 50 GJBA CCCNc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)ccc2o1 4709248 AMBCLGRLHXONNQ-UHFFFAOYSA-N 376.210 4.987 5 50 GJBA COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3nc2-c2ccc(OC)cc2)cc1 2950709 NHHUYBFTBLVCGZ-UHFFFAOYSA-N 387.395 4.889 5 50 GJBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(Br)c1 1156502 SQHQDVQVDSHFBJ-FNORWQNLSA-N 381.613 4.663 5 50 GJBA COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1OC 168100355 LTXUGMDVHOCCQO-AQJGMREQSA-N 380.444 4.909 5 50 GJBA O=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 677811 YQCCHQHBKJQVPZ-UHFFFAOYSA-N 395.802 4.753 5 50 GJBA O=C(Nc1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1)c1ccccc1 1135577 VFYQTGOQVDBKGP-UHFFFAOYSA-N 395.802 4.753 5 50 GJBA CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)c1ccccc1 950506 JERXRGUWEHPFOI-UHFFFAOYSA-N 396.424 4.752 5 50 GJBA O=[N+]([O-])c1ccc(CSc2nc(C(F)(F)F)cc(C(F)(F)F)n2)cc1 1137318 NSXVWJGQEUHNTH-UHFFFAOYSA-N 383.273 4.715 5 50 GJBA CCOc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c([N+](=O)[O-])c1 5041596 PHWPQAUSCCSNJT-UHFFFAOYSA-N 385.203 4.561 5 50 GJBA O=C(O)c1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)cc1 949095 NEUWVBXCHXXJBB-UHFFFAOYSA-N 386.367 4.647 5 50 GJBA Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)oc2ccc(F)cc12 5028179 SOAPIRYWQJNTQY-UHFFFAOYSA-N 393.168 4.803 5 50 GJBA COc1ccc(C[C@H](C)N[C@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)cc1 5032101 LXHZPHAZKBPJHO-QKKBWIMNSA-N 379.460 4.683 5 50 GJBA CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2ccccc12 1113207 IHMDVYAAVRUWGD-UHFFFAOYSA-N 384.413 4.547 5 50 GJBA O=[N+]([O-])c1ccc(/C=C/c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1 4808598 SXKNBDFMRFVKAP-RMKNXTFCSA-N 383.820 4.585 5 50 GJBA CC1(C)C(=O)O[C@H](c2cccn2-c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1=O 1121798 QZDPHUITRFSMAL-GOSISDBHSA-N 396.443 4.529 5 50 GJBA Cc1ccccc1/C=C\c1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-] 4725202 CGIOTFYGCQOTTI-PFONDFGASA-N 383.407 4.773 5 50 GJBA O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 1107608 IVJRQPGGNRCRBY-UHFFFAOYSA-N 390.020 4.916 5 50 GJBA CC(C)(C)c1csc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 4140067 SVMQANZHNLSJRG-UHFFFAOYSA-N 388.493 4.591 5 50 GJBA Cn1cnc([N+](=O)[O-])c1CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 170650862 XNGXGDSMJWERTC-UHFFFAOYSA-N 391.456 4.678 5 50 GJBA Nc1c(C(=O)c2cccc([N+](=O)[O-])c2)sc2nccc(Nc3ccccc3)c12 756232 LLEYBQCGJYLEHD-UHFFFAOYSA-N 390.424 4.761 5 50 GJBA O=C(OCc1ccc(OCc2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 1085087 KPGRBOPIKVTMBV-UHFFFAOYSA-N 381.359 4.670 5 50 GJBA O=[N+]([O-])c1cc(Cl)ccc1NCCNc1ncc(C(F)(F)F)cc1Cl 20218581 OFJYGFQZNQIEGO-UHFFFAOYSA-N 395.168 4.839 5 50 GJBA COC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)c1ccccc1[N+](=O)[O-] 1053989 KCOXKBLLVCZYLZ-UHFFFAOYSA-N 396.424 4.671 5 50 GJBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccccc2Cl)cc1 5065169 HDYPUNICOUMWSY-UHFFFAOYSA-N 395.802 4.753 5 50 GJBA Cc1sc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)nc1-c1ccc2c(c1)CCC2 1360957545 IJSUWEZINOBSPM-UHFFFAOYSA-N 397.431 4.907 5 50 GJBA CCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc(C)c1C 2762989 GCHBEGCCGCQPKS-UHFFFAOYSA-N 396.852 4.746 5 50 GJBA O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)cc1 5014011 XUXSEQFVLUALKN-UHFFFAOYSA-N 384.439 4.737 5 50 GJBA COc1ccc(-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)cc1[N+](=O)[O-] 4906372 OXWCXQHYICEUNT-UHFFFAOYSA-N 380.187 4.551 5 50 GJBA O=Cc1ccc(Sc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)c([N+](=O)[O-])c1 6057542 HGTMHPSQPBRRNB-UHFFFAOYSA-N 395.227 4.650 5 50 GJBA O=C(N(Cc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1)C(F)(F)F 1515952 JCGABIZQANDYFT-UHFFFAOYSA-N 393.148 4.997 5 50 GJBA COC(=O)c1sc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2c1Cl 2793134 NHXYYAIRSASXTO-UHFFFAOYSA-N 390.804 4.502 5 50 GJBA Cc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Br 1137075 XWTUAMNHOLLBPR-XVNBXDOJSA-N 395.640 4.971 5 50 GJBA Cc1cc(Br)c(OC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C 2156346 MVFBNHZVODLWRO-UHFFFAOYSA-N 379.210 4.893 5 50 GJBA O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 4188788 QFIBSOSDWWBSFK-KEZOAJOQSA-N 396.446 4.583 5 50 GJBA COc1c(C)cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5064731 JOWQLSZALYULDI-UHFFFAOYSA-N 399.628 4.580 5 50 GJBA Cc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 4799770 OAICQWCDDWVZKZ-UHFFFAOYSA-N 389.622 4.881 5 50 GJBA COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cn1cccn1 170591544 WPGBHWHZIQRRHD-SJORKVTESA-N 394.475 4.568 5 50 GJBA C[C@@H](C(=O)OCc1ccc(Oc2cccnc2)cc1)c1cccc([N+](=O)[O-])c1 2325746765 MCYAQGFXZFPDPY-OAHLLOKOSA-N 378.384 4.629 5 50 GJBA Cc1cc(C)c(CSC(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 1392495 ZJENFHXZUJSIBP-UHFFFAOYSA-N 386.517 4.962 5 50 GJBA O=C(c1ccc(Br)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4846136 RHMVPKIDMCWWSQ-UHFFFAOYSA-N 389.249 4.579 5 50 GJBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc2c(Br)cccc12 1178967 BJAMVQWRHJHWLH-UHFFFAOYSA-N 389.180 4.902 5 50 GJBA Cc1cccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1C 1192749 SVLQAVJINXVLBU-UHFFFAOYSA-N 388.379 4.805 5 50 GJBA Cc1c(C(=O)Nc2ncc(Cc3cccc([N+](=O)[O-])c3)s2)oc2ccccc12 4834451 JMIKYQJVTHZYBO-UHFFFAOYSA-N 393.424 4.949 5 50 GJBA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4998238 KGMZVLNVFUIEHS-UHFFFAOYSA-N 393.365 4.856 5 50 GJBA Cc1c(C(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)cccc1[N+](=O)[O-] 1150884 DPVSBKXUFMEYHS-UHFFFAOYSA-N 385.379 4.733 5 50 GJBA aggregator CCN(CC)Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 2858785 HOAZZUZMYJWWAW-UHFFFAOYSA-N 393.281 4.778 5 50 GJBA O=C(Nc1ccc(Br)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 1143012 HYXSDNXDDWBDHW-UHFFFAOYSA-N 389.249 4.808 5 50 GJBA CCc1ccc2oc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3O)nc2c1 1211282 RKGKMYCVIYRPAR-UHFFFAOYSA-N 393.355 4.516 5 50 GJBA NC(=O)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1 3212076 AUFKRMMXJGEGTL-UHFFFAOYSA-N 384.775 4.932 5 50 GJBA CC(=O)c1ccc(Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c([N+](=O)[O-])c1 170626634 WCBOHYFHBXVYFS-UHFFFAOYSA-N 390.321 4.746 5 50 GJBA O=[N+]([O-])c1cnc(N2CCC(Nc3ccc(F)cc3)CC2)c(-c2ccccc2)c1 2325862219 NGBDHXDNAPSVGW-UHFFFAOYSA-N 392.434 4.877 5 50 GJBA COc1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1OC 1053633 JVPMDIHEJUYVOC-UHFFFAOYSA-N 392.820 4.732 5 50 GJBA COc1cccc(NC(=O)c2ccc(N(C)C3CCCCC3)c([N+](=O)[O-])c2)c1 5064346 OWGLXNZANUMOSK-UHFFFAOYSA-N 383.448 4.625 5 50 GJBA CCOc1cc(/C=C/c2ccc3ccccc3n2)cc([N+](=O)[O-])c1OC(C)=O 5065504 LKQNUUTWQTZYMV-CSKARUKUSA-N 378.384 4.637 5 50 GJBA Cc1cccc(NC(=O)c2ccc(N[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)n1 5050466 MPKYGAITZDCJTD-HNNXBMFYSA-N 376.416 4.724 5 50 GJBA O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1[N+](=O)[O-] 5046968 IIJIZUNVXKKTPX-UHFFFAOYSA-N 377.331 4.794 5 50 GJBA Cc1cc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)ccc1[N+](=O)[O-] 1210083 YZLXMECEUPSKFR-UHFFFAOYSA-N 389.367 4.669 5 50 GJBA O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc([N+](=O)[O-])o1 4838058 PZJFUOTVNHCYNX-UHFFFAOYSA-N 383.747 4.902 5 50 GJBA COC(=O)c1ccc(COc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 2844560 DVQNDPREVRXRGI-UHFFFAOYSA-N 379.368 4.753 5 50 GJBA CC[C@H](C)c1ccc(OCc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cn3)o2)cc1 5610941 DOFYJKBSZQGAMJ-AWEZNQCLSA-N 395.415 4.928 5 50 GJBA CCn1c(Sc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(OC)cc1 5065756 XUSDZIYWVABUDO-UHFFFAOYSA-N 390.852 4.686 5 50 GJBA C[C@H]1CCc2c(sc3ncnc(SCC(=O)c4cccc([N+](=O)[O-])c4)c23)C1 955189 UPBNAHKTQKSHCB-NSHDSACASA-N 399.497 4.699 5 50 GJBA CCOc1ccc(-c2csc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)n2)cc1 1228883 GZACINHJEAYGTR-UHFFFAOYSA-N 394.408 4.890 5 50 GJBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1 1049430 MVARHAYNLWQZAZ-UHFFFAOYSA-N 386.454 4.547 5 50 GJBA COc1ccc(OC)c(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c1 696009 QSRJQRBDJLLMIU-UHFFFAOYSA-N 392.820 4.732 5 50 GJBA COc1ccc([N+](=O)[O-])cc1NCCC(=O)c1ccc(-c2ccccc2)cc1 732321 ZCFMMJMANBYRND-UHFFFAOYSA-N 376.412 4.955 5 50 GJBA CCCCC(=O)Nc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 4740446 IEZDARVVOLEBNN-UHFFFAOYSA-N 398.444 4.586 5 50 GJBA Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)sc1Cc1ccccc1 4810012 GKOOTBKLLJNYCK-UHFFFAOYSA-N 399.497 4.681 5 50 GJBA CCOc1ccccc1-c1csc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 937376 LJLZSMWARQACCI-UHFFFAOYSA-N 383.429 4.678 5 50 GJBA Cc1cccc(CN(Cc2cccc(C)n2)c2ccc([N+](=O)[O-])c3cnccc23)n1 170655570 FQFIQHRFSBEBPQ-UHFFFAOYSA-N 399.454 4.757 5 50 GJBA CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 4628552 SHRMIDCGQRWGCR-SNVBAGLBSA-N 399.230 4.706 5 50 GJBA Cc1c(C(=O)NCCSCc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] 2813418 NIQLEBFLRPPELD-UHFFFAOYSA-N 399.299 4.873 5 50 GJBA O=C(O[C@@]12[C@H]3CC[C@@H](C3)[C@@H]1[C@H]1C[C@H]2c2ccccc21)c1ccc([N+](=O)[O-])cc1 247346694 UTHHWEOJJWTUEP-AMTMETCVSA-N 375.424 4.821 5 50 GJBA Cc1ccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c(C)c1 1208105 RXTMZYUNMHYMDN-UHFFFAOYSA-N 388.379 4.805 5 50 GJBA O=C(NCc1ccco1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] 4832444 UQDUBERNZNKONZ-UHFFFAOYSA-N 388.832 4.922 5 50 GJBA O=C(Nc1ccccc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 1209669 SDPRQDXRNFRBHC-UHFFFAOYSA-N 395.802 4.753 5 50 GJBA COc1cc(OC)c(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 2156190 GBGIHZQJJXMXII-UHFFFAOYSA-N 386.191 4.563 5 50 GJBA CC(=O)c1ccc(SCC(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1 4573231 MGMLMQCZPYUAHD-UHFFFAOYSA-N 380.425 4.681 5 50 GJBA O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 4906286 VKUYYBVHGDJQDM-UNMCSNQZSA-N 389.386 4.976 5 50 GJBA Cc1ccc(C(=O)[C@H](OC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1C 1121705 GYISSCMJHJBLFH-JOCHJYFZSA-N 389.407 4.993 5 50 GJBA COC(=O)c1sc2cc([N+](=O)[O-])cc(Sc3ccc(Cl)cc3)c2c1N 655614 ORXRGBUOZNWGHI-UHFFFAOYSA-N 394.861 4.983 5 50 GJBA O=[N+]([O-])c1ccc(COc2ccc(C(=S)N3CCCCC3)cc2Cl)cc1 1072997 DSEYZABIKRFCNV-UHFFFAOYSA-N 390.892 4.989 5 50 GJBA O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 675110 OAHZRVKVWRVBHU-UHFFFAOYSA-N 395.802 4.753 5 50 GJBA Cc1sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(=O)OC(C)C)c1C 1115279 XGMWNBWHHCEOEQ-UHFFFAOYSA-N 396.852 4.744 5 50 GJBA COc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1115358 SHRODHNFTBAXTD-UHFFFAOYSA-N 379.368 4.753 5 50 GJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C[C@@H](O)c1ccccc1)C1CCCCC1 1753421 FILHDMWYRWOWOW-OAQYLSRUSA-N 397.475 4.803 5 50 GJBA O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 2991821 YRHRTVQVKZQUDH-UHFFFAOYSA-N 385.272 4.565 5 50 GJBA Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 668207 JTAZENVWYLIGCP-UXBLZVDNSA-N 379.441 4.987 5 50 GJBA Cc1ccc(-c2cc(=O)oc(-c3ccc(Cl)cc3Cl)n2)cc1[N+](=O)[O-] 1183420 BTAMOCZLCWHXNU-UHFFFAOYSA-N 377.183 4.892 5 50 GJBA COc1oc([C@H]2C/C(=C/C(C)=C/c3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C 4025640 GQKXCBCSVYJUMI-WACKOAQBSA-N 397.427 4.665 5 50 GJBA biogenic,in-vitro Cc1ccc(-c2nc(-c3cc4cc([N+](=O)[O-])c(O)cc4oc3=O)cs2)c(C)c1 4948513 YHHDMOXARFEFPK-UHFFFAOYSA-N 394.408 4.814 5 50 GJBA O=C(Oc1ccc(Nc2ncnc3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1 955732 AHMAPGUPSNSVHH-UHFFFAOYSA-N 386.367 4.501 5 50 GJBA Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2cccc([N+](=O)[O-])c2)no1 1071116 RHVXWMHMJCASNC-UHFFFAOYSA-N 382.763 4.929 5 50 GJBA O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 4306424 NGVFUOMJXADYRE-PXNSSMCTSA-N 377.425 4.899 5 50 GJBA O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc([N+](=O)[O-])o1 884861 VIZWPTZAZLVHPD-UHFFFAOYSA-N 382.763 4.637 5 50 GJBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCC(c1ccccc1)c1ccccc1 669777 HPVIKVWXRPJVKK-DTQAZKPQSA-N 386.451 4.946 5 50 GJBA C[C@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(C)(C)c1ccccc1 253418785 ZREHBFBITIRHKH-INIZCTEOSA-N 389.455 4.753 5 50 GJBA Cc1ccc(NC(=O)CSc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 2890889 DZTTXNOUDJNWAN-UHFFFAOYSA-N 385.470 4.758 5 50 GJBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc2ccccc12 4724532 MHDCQVUMYLRBGV-UHFFFAOYSA-N 385.832 4.528 5 50 GJBA O=[N+]([O-])c1cc(-c2ncc(C(F)(F)F)cc2Cl)cc(Br)c1O 8873168 NTTFJVDVGRDYJH-UHFFFAOYSA-N 397.534 4.797 5 50 GJBA CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 1158719 LCFKMOXJHXSNGZ-UHFFFAOYSA-N 388.729 4.918 5 50 GJBA CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 1453676 CYBLTHGOCUWSIF-UHFFFAOYSA-N 399.790 4.719 5 50 GJBA O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cccc([N+](=O)[O-])c1 826571 HDHZKMNWLXLZFW-UHFFFAOYSA-N 377.331 4.794 5 50 GJBA O=C(c1ccccc1)c1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 1074985 ZPSHZIIKMCVWRA-UHFFFAOYSA-N 395.798 4.836 5 50 GJBA O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1 1138232 SMTKHZXVRARLSN-UHFFFAOYSA-N 375.595 4.573 5 50 GJBA CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1221367 VPSNLSSXTIAFHS-NRFANRHFSA-N 389.411 4.765 5 50 GJBA O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1c2ccccc2CCc2ccccc21 1307255 NIWMZWLLZRKWHW-UHFFFAOYSA-N 389.367 4.580 5 50 GJBA Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1[N+](=O)[O-] 1211242 XTBYLFRXRANPCA-UHFFFAOYSA-N 389.367 4.669 5 50 GJBA O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 2167915 PIMSYYVBQTZYHS-UHFFFAOYSA-N 375.595 4.573 5 50 GJBA C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)C13C[C@H]4C[C@@H](CC(Cl)(C4)C1)C3)CCC2 252441201 KBOAUZXZOYOMEX-IUCLHEPJSA-N 380.980 4.517 5 50 GJBA O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cccc(Oc2ccccc2)c1 3027494 JURJRVGJJAFORU-XSFVSMFZSA-N 386.363 4.732 5 50 GJBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2cccnc2)cc1Cl 4872866 OXWMAPYAXGSTOP-UHFFFAOYSA-N 396.834 4.816 5 50 GJBA aggregator CC(=O)c1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 1138161 UVNFBCWVEPPUIP-HYARGMPZSA-N 386.407 4.977 5 50 GJBA Cn1c(Sc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 4985965 AGHLHMBYVCXTRX-UHFFFAOYSA-N 381.244 4.848 5 50 GJBA Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3ccccc3[N+](=O)[O-])c2c1 5048618 UJEMXMQPTWTFRW-UHFFFAOYSA-N 384.395 4.766 5 50 GJBA O=[N+]([O-])c1cccc2c(NS(=O)(=O)c3cc(Cl)ccc3Cl)cccc12 4980334 OFIUJUNISTTZKY-UHFFFAOYSA-N 397.239 4.856 5 50 GJBA CCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccco1 4842657 FVLVFCQZRFXTLI-UHFFFAOYSA-N 384.339 4.636 5 50 GJBA O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1ccccc1[N+](=O)[O-] 4856517 PGPCYVBSWBGXEU-UHFFFAOYSA-N 393.346 4.989 5 50 GJBA CC[N+](CC)(CC)CCCCCCC[N@+](C)(CC)Cc1cc2ccccc2o1 239073296 GWXWXOABDQULOZ-SANMLTNESA-N 388.640 6.226 5 50 GJBA CCOc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 4069964 PIWMDMADBGVZLJ-UHFFFAOYSA-N 376.412 4.764 5 50 GJBA CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2ccc(C(C)(C)C)cc12 4542456 DKIZNCIQHPXWMR-UHFFFAOYSA-N 394.427 4.553 5 50 GJBA COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c1OC 168100563 LTXUGMDVHOCCQO-UCCCNAJCSA-N 380.444 4.909 5 50 GJBA O=c1c2c(-c3cccc([N+](=O)[O-])c3)csc2ncn1Cc1ccccc1Cl 951900 UADAJLKSOAMIIC-UHFFFAOYSA-N 397.843 4.735 5 50 GJBA Cc1cccc(NC(=O)c2ccc(N[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)n1 5050467 MPKYGAITZDCJTD-OAHLLOKOSA-N 376.416 4.724 5 50 GJBA O=c1[nH]c(-c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc2sc3c(c12)CCCC3 5728974 SLDGEAPFEPXCJL-UHFFFAOYSA-N 393.424 4.699 5 50 GJBA CCc1ccc(OCC(=O)N(Cc2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 5214227 NBDKHIGWDUAJLA-UHFFFAOYSA-N 390.439 4.769 5 50 GJBA COc1cccc2cc(-c3nc(-c4cccc([N+](=O)[O-])c4)cs3)c(=O)oc12 2883527 OXFOIAVUCRXLMA-UHFFFAOYSA-N 380.381 4.500 5 50 GJBA COc1ccc(Nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2[N+](=O)[O-])cc1 3998753 NSYQGACOUZMAHJ-OAHLLOKOSA-N 391.427 4.838 5 50 GJBA COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 13330017 FRQRYOVYWVLTKA-SECBINFHSA-N 384.219 4.793 5 50 GJBA CCc1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)nc2c1 830449 CLECAFDXLAIHPO-UHFFFAOYSA-N 377.356 4.811 5 50 GJBA CC(=O)Nc1ccc(OC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1163638 TVMROLPTILWAAD-UHFFFAOYSA-N 392.367 4.565 5 50 GJBA CCOc1ccc(NC(=O)CCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4542655 LBTDUVVLORUOAL-UHFFFAOYSA-N 380.400 4.825 5 50 GJBA COc1ccccc1CC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1124605 ZOMQQDOADFHAGL-UHFFFAOYSA-N 394.452 4.936 5 50 GJBA Cc1ccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])cc1Br 4707070 CTYPFTOOABYPMU-UHFFFAOYSA-N 383.589 4.599 5 50 GJBA O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCCCC2=O)CC1 159455080 WDXKMEYQAXXXSC-UHFFFAOYSA-N 386.495 4.610 5 50 GJBA O=C(Nc1ccc(Cl)c(C(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 1188730 HAPYCNKZWMTMEG-UHFFFAOYSA-N 380.787 4.732 5 50 GJBA O=C(N[C@@H](Cc1ccccc1)c1ccccc1)OCc1ccc([N+](=O)[O-])cc1 5737155 QPUMTIYFEPJZFK-NRFANRHFSA-N 376.412 4.805 5 50 GJBA Cc1ccc(C(=O)Nc2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)cc1 1135920 MPYXHWLRKGMPJB-UHFFFAOYSA-N 390.395 4.513 5 50 GJBA O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccc(Cl)cc1 1170956 GZOVRRJAWWRREM-UHFFFAOYSA-N 394.770 4.841 5 50 GJBA Cc1ccc([N+](=O)[O-])c(OCCSc2nnc3cc(C)c4ccccc4n23)c1 1746363 PCMQYAVJNMTGMD-UHFFFAOYSA-N 394.456 4.579 5 50 GJBA O=C1CCc2cc(Oc3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])ccc2N1 170638035 GHKDOCVARLVUFC-UHFFFAOYSA-N 386.713 4.944 5 50 GJBA Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 1111575 BOJRRTKNLANYEN-UHFFFAOYSA-N 391.452 4.697 5 50 GJBA COC(=O)c1ccc(-c2c3cc(F)c(=O)cc-3oc3cc(O)c(F)cc23)c(C)c1 96029516 DPZLMQCYZDHMGJ-UHFFFAOYSA-N 396.345 4.644 5 50 GJBA CCC(=O)C[C@H](Sc1cc(=O)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 753754 LCIJRKSJIDFQDC-SFHVURJKSA-N 383.425 4.904 5 50 GJBA Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc12 825438 DGASXNNPPALGNX-UHFFFAOYSA-N 378.413 4.556 5 50 GJBA Cc1ccccc1OCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 2843801 GBNPHKKWDRHNCX-UHFFFAOYSA-N 393.395 4.818 5 50 GJBA Cc1nn(C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1Sc1ccc(Cl)cc1 834974 MGSNFEPBYBCMNL-UHFFFAOYSA-N 387.848 4.901 5 50 GJBA Cc1cc(C(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)ccc1[N+](=O)[O-] 991334 QMVHKPVFGVIRIQ-UHFFFAOYSA-N 385.379 4.733 5 50 GJBA CCOc1cc(/C=C/[N+](=O)[O-])c(Br)cc1OCc1ccc(C)cc1 1073100 NZJYIGYDVBGTDR-CMDGGOBGSA-N 392.249 4.983 5 50 GJBA CC(=O)Nc1cccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c1 2872604 ZKALKDWDDZJJMF-UHFFFAOYSA-N 389.820 4.674 5 50 GJBA O=C(Nc1cc([N+](=O)[O-])ccc1F)Oc1ccc(OCc2ccccc2)cc1 1738489 TVLDFBSQHVYDKT-UHFFFAOYSA-N 382.347 4.924 5 50 GJBA COP(=O)(OC)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12 5060023 VSNXSESASMGADA-KRWDZBQOSA-N 375.321 4.673 5 50 GJBA COc1ccc([N+](=O)[O-])cc1NC(=O)CC(c1ccccc1)c1ccccc1 1205983 ZZNWVXVHULEUDE-UHFFFAOYSA-N 376.412 4.764 5 50 GJBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1CCc1ccccc1 4833859 NEYZOTQGXANSSO-UHFFFAOYSA-N 376.412 4.641 5 50 GJBA O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 1206530 SQPWYNBJRBAXEQ-UHFFFAOYSA-N 389.440 4.530 5 50 GJBA O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1[N+](=O)[O-] 4819582 GOWCMADITXEQFT-UHFFFAOYSA-N 375.595 4.573 5 50 GJBA Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccc(Cl)cc1Cl 4802132 BSLRPNVJVQECFJ-UHFFFAOYSA-N 389.622 4.881 5 50 GJBA Cc1cc(C(=C(Cl)Cl)c2cc(C)c(O)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O 36046701 OHHOLZWTBLIIGH-UHFFFAOYSA-N 399.186 4.726 5 50 GJBA COc1cc(/C=C/[N+](=O)[O-])c(Br)cc1OCc1ccccc1Cl 1049353 KNGAWXCVIABWCE-VOTSOKGWSA-N 398.640 4.938 5 50 GJBA Cc1cc(C(=O)OCc2ccc(-c3cnc4ccccc4n3)cc2)ccc1[N+](=O)[O-] 1443281 QHDGMFKZPGVAIT-UHFFFAOYSA-N 399.406 4.870 5 50 GJBA COc1cc([N+](=O)[O-])ccc1NC(=O)NC(c1ccccc1)c1ccccc1 17077173 REWSIKZGZBNWIR-UHFFFAOYSA-N 377.400 4.515 5 50 GJBA CCN(C(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 4821323 SOXUXDUDHHYUPA-UHFFFAOYSA-N 389.411 4.514 5 50 GJBA O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1cc(Cl)ccc1[N+](=O)[O-] 671391 BFZCEIFBAXNAKH-UHFFFAOYSA-N 395.774 4.902 5 50 GJBA O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 1193627 KSXREJVERHBIIF-WJDWOHSUSA-N 394.770 4.853 5 50 GJBA N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 17080466 JCKFRXWOKLNNFI-UHFFFAOYSA-N 393.786 4.879 5 50 GJBA O=[N+]([O-])c1cc(Cl)cnc1N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 225533809 DKEKQURGWHZZSU-INIZCTEOSA-N 383.839 4.765 5 50 GJBA Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 1164362 LMMSLGSFZGHQQU-NRFANRHFSA-N 375.380 4.684 5 50 GJBA Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 1164553 NZHIEZWTIZMVNV-NRFANRHFSA-N 375.380 4.684 5 50 GJBA O=C(Nc1ccccc1C(=O)Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 1081654 HJZOTONIBNYOOX-UHFFFAOYSA-N 395.802 4.753 5 50 GJBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc2c(Br)cccc12 1184098 OLJOPXVGICNARW-UHFFFAOYSA-N 389.180 4.902 5 50 GJBA COc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 4670571 OPEPPDZBUZRNME-UHFFFAOYSA-N 376.412 4.764 5 50 GJBA Cc1cn(Cc2ccc(C3CCCCC3)cc2)c(=O)n1-c1ccccc1[N+](=O)[O-] 2325864508 QLNXLVQAXMJGQL-UHFFFAOYSA-N 391.471 4.952 5 50 GJBA COc1ccc2oc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 2861478 LTSCIUYNCWFNGK-UHFFFAOYSA-N 389.367 4.664 5 50 GJBA Cc1occc1-c1nnc2sc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nn12 1122634 FQBLYJYHWYDAGT-UHFFFAOYSA-N 393.384 4.589 5 50 GJBA Cc1ccc(C(=O)Nc2cccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1 1136462 OUDGONCYMYICCS-UHFFFAOYSA-N 390.395 4.513 5 50 GJBA CC(C)CSc1cc([N+](=O)[O-])cc2c1c(C1OCCO1)nn2-c1ccccc1 1070678 UMUNTHXWAXUQCB-UHFFFAOYSA-N 399.472 4.727 5 50 GJBA O=c1oc2c([N+](=O)[O-])cc(Cc3ccccc3)cc2cc1-c1nc2ccccc2[nH]1 2873701 SRIWBMJGJMSGNN-UHFFFAOYSA-N 397.390 4.835 5 50 GJBA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 239433514 XUZGJAQOUPUIFJ-GMAHTHKFSA-N 385.423 5.146 5 50 GJBA Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 4852382 UHINAXMZUMXXLE-UHFFFAOYSA-N 384.395 4.766 5 50 GJBA Cc1cc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)ccc1[N+](=O)[O-] 828023 KHDBVRYSAGVBQY-UHFFFAOYSA-N 388.383 4.667 5 50 GJBA O=C(Oc1c([N+](=O)[O-])cc2c(c1Br)CCCC2)c1ccc(F)cc1 2848181 FOLLGDMAVBJTEF-UHFFFAOYSA-N 394.196 4.594 5 50 GJBA O=C1OC(c2ccccc2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 5052488 FGBXXKFDHMRRCK-BOPFTXTBSA-N 394.770 4.853 5 50 GJBA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1[N+](=O)[O-] 676321 PWHNDXRFGFUMPM-UHFFFAOYSA-N 396.424 4.752 5 50 GJBA COc1ccc(CSCC(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-] 4834051 XYMVCYSDKIGIEB-UHFFFAOYSA-N 382.441 4.629 5 50 GJBA FC(F)(F)COc1ccnc2c1ccc1c(OCC(F)(F)F)ccnc12 299890327 XVFKOMJVSVNKSM-UHFFFAOYSA-N 376.256 4.665 5 50 GJBA Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c1 1149174 MKXSNOXKNAIMOZ-UHFFFAOYSA-N 389.411 4.716 5 50 GJBA O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 1211949 LOQFQFHOGZCGIN-UHFFFAOYSA-N 394.774 4.704 5 50 GJBA Cc1cc(S(=O)(=O)Nc2cccc3c([N+](=O)[O-])cccc23)ccc1Cl 4980362 IUANHOKKFAAHFL-UHFFFAOYSA-N 376.821 4.511 5 50 GJBA Cc1cccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1C 1085685 XNJOFDCCHHOXEH-UHFFFAOYSA-N 388.379 4.805 5 50 GJBA C[C@]1(c2ccccc2)CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 445024783 XUCAXWLWSZGZAD-SANMLTNESA-N 396.490 4.875 5 50 GJBA CCOC(=O)[C@H](C)Oc1cccc2c1ccc1c(-c3ccccc3)cc(=O)oc12 634526 RYGOROHIBADPDE-HNNXBMFYSA-N 388.419 4.944 5 50 GJBA Cc1cc(Br)c(OC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1C 2156141 UMDBIIRIORTXLS-UHFFFAOYSA-N 379.210 4.893 5 50 GJBA Cc1ccc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c(C(=O)O)c1 4616861 BITQZYNQPLCOEV-UHFFFAOYSA-N 392.367 4.646 5 50 GJBA COc1ccc(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc12 4846125 UUGPMXHSJOMVBH-UHFFFAOYSA-N 376.412 4.588 5 50 GJBA CCCCCCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1771521 UFKHVDPRPWPUNJ-UHFFFAOYSA-N 384.432 4.893 5 50 GJBA O=[N+]([O-])c1ccc(-c2noc(CCCOc3ccc(Cl)cc3Cl)n2)cc1 2863271 OTPDRLOYCWEDGO-UHFFFAOYSA-N 394.214 4.963 5 50 GJBA Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 1164552 NZHIEZWTIZMVNV-OAQYLSRUSA-N 375.380 4.684 5 50 GJBA O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 4660142 WOVOPMKCIDWQHD-PXNSSMCTSA-N 377.425 4.899 5 50 GJBA O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13961530 KDYLBMUQGAEFSB-UHFFFAOYSA-N 394.258 4.757 5 50 GJBA CCc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 1078754 GSQXKDSLMZYEHV-UHFFFAOYSA-N 395.440 4.544 5 50 GJBA O=C(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccc([N+](=O)[O-])cc1 1977910 WZQBTUGWCVDOLC-UHFFFAOYSA-N 387.347 4.587 5 50 GJBA Cn1ncc2c(-c3cccc(OC(F)F)c3)c3oc4cc(O)ccc4c3nc21 252482604 DKGLBOOITVMKHL-UHFFFAOYSA-N 381.338 4.842 5 50 GJBA C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1)c1cccc2ccccc12 2901568 PCKTWDVAPBYINT-LLVKDONJSA-N 399.790 4.801 5 50 GJBA C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1nc(-c2ccc(Cl)cc2)no1 225648291 CDKLSJBAMMNAPO-MRVPVSSYSA-N 380.738 4.750 5 50 GJBA CCOc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 5093777 ABHOTSUMBOYMOB-XBXARRHUSA-N 381.215 4.952 5 50 GJBA Cc1cccc([N+](=O)[O-])c1NC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N 4770589 ZGXDCQHBLHNWCP-UHFFFAOYSA-N 390.852 4.618 5 50 GJBA COc1cc(-c2oc3c(ccc4ccccc43)c(=O)c2O)ccc1N1CCCC1 100204971 ZJYFLTGQGIZYOU-UHFFFAOYSA-N 387.435 4.928 5 50 GJBA Brc1ccc(-c2csc3nc4nc5ccccc5c-4nn23)cc1 712673 VSBCFAMBEBTRMN-UHFFFAOYSA-N 381.258 4.873 5 50 GJBA O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] 1124837 UVSUTFBMELDTAY-UHFFFAOYSA-N 389.127 4.628 5 50 GJBA CCc1ccc(OCCCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 1777519 KDQPXMLJEFSWLS-UHFFFAOYSA-N 385.445 4.565 5 50 GJBA O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccccc1Cl 4142484 ONCUGRJOTOWDIV-PKNBQFBNSA-N 393.786 4.711 5 50 GJBA Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(=O)OC(C)C)c1C 1113243 QPJBBLBAYKQLMV-UHFFFAOYSA-N 396.852 4.744 5 50 GJBA Cc1ccccc1-n1c(/C=C/c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 4866889 DHXBCPVLBVRDFM-CCEZHUSRSA-N 383.407 4.773 5 50 GJBA Cc1ccc(C)c(N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)c1 1225302 ALNYBNPGCKXLNJ-UHFFFAOYSA-N 391.471 4.794 5 50 GJBA Cc1ccc2oc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3O)nc2c1 1208157 YPCHCYLBELPPMT-UHFFFAOYSA-N 389.367 4.669 5 50 GJBA O=C(COc1ccc(Cl)cc1)Oc1ccc2c(c1)oc(=O)c1ccccc12 937100 DZDAQLGAGCABQX-UHFFFAOYSA-N 380.783 4.584 5 50 GJBA CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc(C)c1CC 1111879 TURJGPRWQQAGHM-UHFFFAOYSA-N 396.852 4.610 5 50 GJBA CCc1cc(Br)ccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 4999241 WAEXCMSZDUQJKP-UHFFFAOYSA-N 380.267 4.729 5 50 GJBA O=C(Nc1c(F)cc(F)cc1Br)c1ccc(Cl)c([N+](=O)[O-])c1 1097784 YKYQCLYHURUJRJ-UHFFFAOYSA-N 391.555 4.541 5 50 GJBA CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 4954416 KVIMJJNKWCRHFC-UHFFFAOYSA-N 392.411 4.825 5 50 GJBA O=C(Nc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1NCc1cccnc1 4755438 WFQFOOCPUZDZCI-UHFFFAOYSA-N 382.807 4.508 5 50 GJBA O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1 4312635 WQYDPNUSTYWUQI-QFIPXVFZSA-N 396.406 4.735 5 50 GJBA Cc1ccc(-c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2C)cc1 2923878 FEUCALOVNHOQAZ-UHFFFAOYSA-N 383.425 4.646 5 50 GJBA CN(C)C1(CNc2nc(C(F)(F)F)nc3ccc4ccccc4c23)CCCC1 241897326 TXSBZRKOINHABY-UHFFFAOYSA-N 388.437 5.088 5 50 GJBA CC(C)(C)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1 727272 RLTXDLSNQUZABE-UHFFFAOYSA-N 378.222 4.874 5 50 GJBA O=C(Oc1c([N+](=O)[O-])cc2c(c1Br)CCCC2)c1cccs1 1114647 HIYBZRKLHHDEBU-UHFFFAOYSA-N 382.235 4.517 5 50 GJBA CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3cccc([N+](=O)[O-])c3)ccc12 2853737 ZAIBDGUZARIHLJ-UHFFFAOYSA-N 395.411 4.614 5 50 GJBA CCOc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 1073192 KVFFFZZGZGOQQJ-BQYQJAHWSA-N 396.212 4.813 5 50 GJBA COc1ccccc1Oc1cc(NC(=O)c2ccccc2C)cc([N+](=O)[O-])c1 2795441 PKETXGJFRDLPMR-UHFFFAOYSA-N 378.384 4.956 5 50 GJBA Cc1cc(C)c2c(C)c(C(=O)NCCSc3ccc([N+](=O)[O-])cc3)oc2c1 1857800568 FZKMZPKFRSUOIU-UHFFFAOYSA-N 384.457 4.788 5 50 GJBA CCOC(=O)c1cc2nc3ccccc3c-2n(-c2ccc([N+](=O)[O-])cc2)c1C 977915 IWNDGEOHPDTOLJ-UHFFFAOYSA-N 375.384 4.524 5 50 GJBA O=C(Nc1ccc([N+](=O)[O-])cc1Br)C12CC3CC(CC(C3)C1)C2 4075809 FNVPHYWMOFOQFK-UHFFFAOYSA-N 379.254 4.512 5 50 GJBA O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 969898 NGVFUOMJXADYRE-YLJYHZDGSA-N 377.425 4.899 5 50 GJBA CCCC[N+](CCCC)(CCCC)C[C@H](O)Cn1c(=O)sc2ccccc21 5591151 VBCXTZQSLLWYCD-LJQANCHMSA-N 393.617 4.641 5 50 GJBA CCOc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2c1 3203522 SNJRBDGYSVXINV-UHFFFAOYSA-N 377.809 4.509 5 50 GJBA Cc1ccc(-c2nc(-c3cc4cc([N+](=O)[O-])c(O)cc4oc3=O)cs2)cc1 4947677 NSCAMRJDIJWXMC-UHFFFAOYSA-N 380.381 4.506 5 50 GJBA COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 1113781 YSWFNGYVJDPFJC-VOTSOKGWSA-N 398.640 4.938 5 50 GJBA O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 1134714 BSZMYWCAYLDCFM-UHFFFAOYSA-N 389.127 4.628 5 50 GJBA COc1ccc(CN2C(=O)c3ccc([N+](=O)[O-])cc3Oc3ccccc32)cc1 1430632 WJLXAXBJDVALOL-UHFFFAOYSA-N 376.368 4.556 5 50 GJBA C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 4687574 IJWKYCNHEWUUQZ-LRYXAPPNSA-N 397.519 4.530 5 50 GJBA COc1cc2c(cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1)oc1ccccc12 3642261 OMBQMWSVABRSAE-UHFFFAOYSA-N 392.367 4.764 5 50 GJBA CCCc1c(C)c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2oc1=O 1893444 JVQMZTMTKGVESK-UHFFFAOYSA-N 384.344 4.663 5 50 GJBA Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 4872249 MUXMTECFFFUETN-XNTDXEJSSA-N 383.407 4.773 5 50 GJBA COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1111861 FNZKNEXCDKVGGD-UHFFFAOYSA-N 396.424 4.671 5 50 GJBA CCC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)C[C@H](C(C)(C)C)CC2 718038 PNBFDRXVESIXDA-CYBMUJFWSA-N 378.472 4.841 5 50 GJBA Cc1ccc(C(=O)Nc2cnn(Cc3cccc4ccccc34)c2)cc1[N+](=O)[O-] 1053969 MCCZPLBOICWPCD-UHFFFAOYSA-N 386.411 4.554 5 50 GJBA Cc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl 1201121 RWARKVIQXCPCKH-UHFFFAOYSA-N 393.877 4.897 5 50 GJBA O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 2334668 KSVFZMFOBVKAEN-UHFFFAOYSA-N 389.440 4.530 5 50 GJBA Cc1ccccc1-n1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 4419833 PAMJECOACNOKAO-NTCAYCPXSA-N 383.407 4.773 5 50 GJBA Cc1ccc2oc(C(=O)Nc3ccc([N+](=O)[O-])cc3Br)c(C)c2c1 5012551 XAYUISQGQQMRNI-UHFFFAOYSA-N 389.205 4.973 5 50 GJBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cc3ccccc3oc2=O)cc1 5064211 APULGSSWYVQQQA-UHFFFAOYSA-N 386.363 4.621 5 50 GJBA O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 1045625 YQLXTWCLPJDWIL-UHFFFAOYSA-N 378.228 4.885 5 50 GJBA O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN23)c1 5091091 VBRLVOHIGOAWAO-IRLDBZIGSA-N 389.386 4.976 5 50 GJBA O=[N+]([O-])c1ccc2c(c1)/C(=C\c1ccco1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 102415215 HKIYNAFPKNXQMY-OQLLNIDSSA-N 379.284 4.574 5 50 GJBA Cc1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 4419900 RRWKDHOZPAVOKQ-SDNWHVSQSA-N 383.407 4.773 5 50 GJBA COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1OC 239339161 LTXUGMDVHOCCQO-LGMIBIRUSA-N 380.444 4.909 5 50 GJBA O=C(O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1 16212528 JRYACCVUEMOIIT-BVSLBCMMSA-N 386.407 4.764 5 50 GJBA O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1Sc1nc2ccccc2s1 2915464 SXJBHMYFCCRPRY-UHFFFAOYSA-N 384.398 4.812 5 50 GJBA COc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 4690918 XGZFCEZNXUEEJP-UHFFFAOYSA-N 375.595 4.816 5 50 GJBA C[C@@H]1CCc2c(sc3ncnc(SCC(=O)c4cccc([N+](=O)[O-])c4)c23)C1 955190 UPBNAHKTQKSHCB-LLVKDONJSA-N 399.497 4.699 5 50 GJBA CCN(CC)CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1544481 YRFYIORBFFGPPZ-NRFANRHFSA-N 383.492 4.578 5 50 GJBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 5041612 IRSIOHVRTNTUCT-UHFFFAOYSA-N 389.717 4.920 5 50 GJBA Cc1cc(C(F)F)nc2sc3c4nc(NC(C)C)sc4c(=O)[nH]c3c12 20607318 JMTUBOFVEZCSRS-UHFFFAOYSA-N 380.445 4.814 5 50 GJBA Cc1ccc2occ(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)c2c1 4808574 FSMGAZQEQBLOBD-UHFFFAOYSA-N 389.205 4.593 5 50 GJBA O=C1c2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2[C@H](c2ccccc2)N1c1ccccc1 5090929 IZAIDELMEMUXIA-QFIPXVFZSA-N 396.406 4.735 5 50 GJBA CC1(C)CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)Cc2ccccc21 445144600 RSSQPCQOBBWMTK-UHFFFAOYSA-N 382.463 4.615 5 50 GJBA CC(=O)Nc1ccc(OC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 1163266 ZMUSHFXKWUCCHR-UHFFFAOYSA-N 392.367 4.565 5 50 GJBA Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 1208028 XONGPDBAXDZRAO-UHFFFAOYSA-N 389.411 4.716 5 50 GJBA Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 1228832 SXWVQFILLWCRJQ-UHFFFAOYSA-N 389.411 4.716 5 50 GJBA CCCCc1cc(=O)oc2c(C)c(OCc3cc([N+](=O)[O-])ccc3OC)ccc12 2946469 XMXSBHGMQIMJJJ-UHFFFAOYSA-N 397.427 4.940 5 50 GJBA COc1ccc(C(C)(C)C)cc1NC(=S)Nc1ccc([N+](=O)[O-])cc1OC 5041722 GLWGFTGUOFZQOB-UHFFFAOYSA-N 389.477 4.718 5 50 GJBA O=C(OC[C@@]12[C@H]3c4ccccc4[C@@H]1[C@@H]2c1ccccc13)c1ccc([N+](=O)[O-])cc1 102187560 PUCXQQXPKBPWFS-MNJSYXLPSA-N 383.403 4.778 5 50 GJBA COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1[N+](=O)[O-] 250453863 YKTUVHRAZRGOOS-ROILNYFKSA-N 394.427 4.598 5 50 GJBA CCOC(=O)c1c(NC(=O)c2ccccc2)sc([N+](=O)[O-])c1-c1ccccc1 4350527 DVSONIDVAMSNSX-UHFFFAOYSA-N 396.424 4.752 5 50 GJBA O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 17208143 RFMORLKBSBJSGA-QFIPXVFZSA-N 396.406 4.735 5 50 GJBA CSc1ccc(-c2c3cnn(C)c3nc3c2oc2cc(O)cc(O)c23)cc1 263588272 QZSGMBABMQZXMT-UHFFFAOYSA-N 377.425 4.668 5 50 GJBA CCCOC(=O)c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 2971029 PMIJHBMOMDHWTQ-UHFFFAOYSA-N 394.383 4.674 5 50 GJBA O=C(OC[C@@]12[C@@H]3c4ccccc4[C@@H]1c1ccccc1[C@@H]32)c1ccc([N+](=O)[O-])cc1 257357767 PUCXQQXPKBPWFS-XAAVFNBYSA-N 383.403 4.778 5 50 GJBA O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[C@H](c4ccc(F)c(F)c4)C3)cnc2c1 2325862576 ZQTGMXMEQXSVFS-GXTWGEPZSA-N 384.386 4.955 5 50 GJBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1ccccc1 1175894 ZANKYUQLZVRUSE-UHFFFAOYSA-N 384.395 4.700 5 50 GJBA COc1cc([N+](=O)[O-])cc2cc(-c3nc(-c4cccs4)cs3)c(=O)oc12 4858262 PVEMQRQLGVCDLI-UHFFFAOYSA-N 386.410 4.562 5 50 GJBA CCOc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1[N+](=O)[O-] 1156548 QXGBHKVBKDMSFV-UHFFFAOYSA-N 393.237 4.625 5 50 GJBA Cc1cc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)ccc1Br 2981957 BZFLKUXKOGUKRJ-UHFFFAOYSA-N 395.278 4.538 5 50 GJBA Cc1c(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cccc1[N+](=O)[O-] 2982201 VDGUJIKTVBDXGL-UHFFFAOYSA-N 389.367 4.669 5 50 GJBA Cc1cccc(Oc2ncccc2NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1C 151180649 VTTWSQKAQSZZCQ-UHFFFAOYSA-N 399.353 4.929 5 50 GJBA C[C@@]1(c2ccccc2)CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 445024782 XUCAXWLWSZGZAD-AREMUKBSSA-N 396.490 4.875 5 50 GJBA Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)c1 4012292 DNZYPMKFIXXUKC-UHFFFAOYSA-N 389.411 4.716 5 50 GJBA O=C(O)c1cc(Oc2ccc([N+](=O)[O-])cc2)cc(Oc2ccc([N+](=O)[O-])cc2)c1 2576957 JOSXKPZXMVHRKU-UHFFFAOYSA-N 396.311 4.786 5 50 GJBA in-vitro O=[N+]([O-])c1ccc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1 4980854 BUWYCNKFVRERHI-UHFFFAOYSA-N 387.483 4.549 5 50 GJBA COc1cc(COc2ccc3c(c2)oc(=O)c2ccccc23)cc(OC)c1OC 1155661 CTYGVPHXFAVHDC-UHFFFAOYSA-N 392.407 4.551 5 50 GJBA biogenic c1ccc(-c2nnc(Cn3c4ccccc4c4nc5ccccc5nc43)o2)cc1 2881898 UEWMKLSBIPQCFX-UHFFFAOYSA-N 377.407 4.836 5 50 GJBA O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN23)cc1 4906287 VKUYYBVHGDJQDM-IRLDBZIGSA-N 389.386 4.976 5 50 GJBA Cc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1[N+](=O)[O-] 867422 SIKVDCVEBDVKAG-UHFFFAOYSA-N 392.440 4.864 5 50 GJBA Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 2986034 MXNBOHHTKJUKCS-UHFFFAOYSA-N 399.299 4.873 5 50 GJBA Cc1c(O)ccc2c1oc1c(-c3cc4ccccc4nc3O)c3cnn(C)c3nc12 253623949 VLGGPUDUKYFJNN-UHFFFAOYSA-N 396.406 4.803 5 50 GJBA biogenic O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc2ccccc12 1175346 IPJHPXIJXFQTRL-UHFFFAOYSA-N 385.832 4.528 5 50 GJBA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 2836329 SFYKGNOHDJQXCA-UHFFFAOYSA-N 396.230 4.893 5 50 GJBA Cc1c(C(=O)NCCSCc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 2990071 RQKSODDEIZWRRW-UHFFFAOYSA-N 399.299 4.873 5 50 GJBA O=C(NCCSCc1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 2991031 RHAMFNAWPWDCGD-UHFFFAOYSA-N 385.272 4.565 5 50 GJBA O=C(O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1 101697059 JRYACCVUEMOIIT-HJNYFJLDSA-N 386.407 4.764 5 50 GJBA O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 5101294 ZEXLMNWXPAALGK-BUHFOSPRSA-N 383.407 4.523 5 50 GJBA O=[N+]([O-])c1ccc([C@@H]2O[C@H](c3ccccc3)N3[C@H](c4ccccc4)OC[C@@H]23)cc1 71766969 ALINGUIZUVHCAX-CWBXHPNXSA-N 388.423 4.765 5 50 GJBA c1cc2c(cc1O[C@H]1CCCCO1)nnc1cc(O[C@H]3CCCCO3)ccc12 252551333 UCJCXWLJKXAHSH-VXKWHMMOSA-N 380.444 4.594 5 50 GJBA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 805617 QFCQNZBTGMXUEV-UHFFFAOYSA-N 388.383 4.667 5 50 GJBA Cc1cc(C(=O)Nc2sccc2C(=O)Nc2ccc([N+](=O)[O-])cc2)cs1 4802257 HEMOYYSYSNPXMH-UHFFFAOYSA-N 387.442 4.531 5 50 GJBA O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N1CCCc2ccccc21 4811187 JSKPOXYJSKGQRZ-UHFFFAOYSA-N 379.460 4.568 5 50 GJBA O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 2878975 MWVHGFXMXXWOLV-UHFFFAOYSA-N 395.802 4.753 5 50 GJBA CC(=O)c1cccc(OC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 1167895 CSVXXGIAFAQUAU-UHFFFAOYSA-N 377.352 4.809 5 50 GJBA C[C@H](NC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1)c1cccc2ccccc12 2901567 PCKTWDVAPBYINT-NSHDSACASA-N 399.790 4.801 5 50 GJBA O=[N+]([O-])c1ccc([C@@H]2O[C@H](c3ccccc3)N3[C@@H](c4ccccc4)OC[C@H]23)cc1 32168062 ALINGUIZUVHCAX-KAOXLYBCSA-N 388.423 4.765 5 50 GJBA O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccccc1[N+](=O)[O-] 1218992 YSZQJCIZPOSDJS-UHFFFAOYSA-N 377.331 4.794 5 50 GJBA COc1ccc(NC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c([N+](=O)[O-])c1 4039799 JVIZBJZVQVUXGY-UHFFFAOYSA-N 392.411 4.596 5 50 GJBA O=C(O[C@]12[C@H]3CC[C@@H](C3)[C@H]1[C@H]1C[C@H]2c2ccccc21)c1ccc([N+](=O)[O-])cc1 247346736 UTHHWEOJJWTUEP-YSGWMAJBSA-N 375.424 4.821 5 50 GJBA O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccncc1 1141173 GPTQGWJOSSCPRW-UHFFFAOYSA-N 384.775 4.793 5 50 GJBA CCOc1cc2c(cc1OCC)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)CC(=O)N2 4915101 QGPBAVOHLVKARO-GFCCVEGCSA-N 390.823 4.520 5 50 GJBA O=c1oc2cc(OCc3cc4c(cc3Cl)OCO4)ccc2c2ccccc12 1165290 JROIQVHRWQVVJL-UHFFFAOYSA-N 380.783 4.907 5 50 GJBA CCn1c2ccccc2c2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 2849720 WBGGUINUOFVBPM-UHFFFAOYSA-N 389.411 4.740 5 50 GJBA O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccccc1 2982117 FMZXKQNDTYDUGB-UHFFFAOYSA-N 395.802 4.753 5 50 GJBA CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] 2979808 XQXPFTWKTWNIMM-UHFFFAOYSA-N 388.729 4.918 5 50 GJBA O=[N+]([O-])c1cc(Cl)cnc1N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 225533777 DKEKQURGWHZZSU-MRXNPFEDSA-N 383.839 4.765 5 50 GJBA CCC(=O)Oc1cccc2ccc(/C=C/c3cc([N+](=O)[O-])ccc3OC)nc12 5013665 DTMQWUXPFIAQLP-CSKARUKUSA-N 378.384 4.637 5 50 GJBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Br)cc1 1153381 DPRMRFDHZRLVCN-KRXBUXKQSA-N 381.613 4.663 5 50 GJBA Cc1ccc(NC(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)cc1Cl 4706952 BKDCULWLRCBAPC-UHFFFAOYSA-N 396.834 4.816 5 50 GJBA O=C(c1cc(-c2ccccc2)nc2ccccc12)N1Cc2ccc([N+](=O)[O-])cc2C1 1323315883 UUYKABPAHDSNHT-UHFFFAOYSA-N 395.418 4.966 5 50 GJBA O=[N+]([O-])c1cccc(-c2nc3sc(-c4cccc([N+](=O)[O-])c4)nc3s2)c1 1818652 LNDJNDZFXXEGPS-UHFFFAOYSA-N 384.398 4.903 5 50 GJBA O=C(Nc1ccccc1C(=O)Nc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 1141118 KXWKDARYFPKQJB-UHFFFAOYSA-N 395.802 4.753 5 50 GJBA O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ccncc2)cc1 2325728295 NVRFZDLNPAZEDH-UHFFFAOYSA-N 392.415 4.613 5 50 GJBA O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)Nc1ccc(Cl)cc1 3273257 CCHAKDCTBHVPBR-UHFFFAOYSA-N 379.799 4.617 5 50 GJBA COc1cc([N+](=O)[O-])ccc1NC(=O)N(Cc1ccccc1)c1ccccc1 4795370 AAKILRBNCAPBIL-UHFFFAOYSA-N 377.400 4.842 5 50 GJBA O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccccc1[N+](=O)[O-] 989719 HTOCCJWIRNUJIU-UHFFFAOYSA-N 377.331 4.794 5 50 GJBA CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C(=O)OC(C)C 1113103 UMWFFUVYYBTKEY-UHFFFAOYSA-N 390.461 4.653 5 50 GJBA COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nc2c1 1065224 HURRWMMYKNBNFB-UHFFFAOYSA-N 393.355 4.565 5 50 GJBA COc1cc(C2SCCS2)cc([N+](=O)[O-])c1OC(=O)c1ccc(C)cc1 2534614 MENCEONAPQKVBE-UHFFFAOYSA-N 391.470 4.610 5 50 GJBA C[C@H](Oc1ccc(Br)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 2850306 PSOICOVJLQOFAJ-JTQLQIEISA-N 390.193 4.547 5 50 GJBA O=[N+]([O-])c1ccc(-n2c3ccc([N+](=O)[O-])cc3c3cc([N+](=O)[O-])ccc32)cc1 104205912 ZMOBPDWCALCECL-UHFFFAOYSA-N 378.300 4.508 5 50 GJBA O=[N+]([O-])c1ccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)o1 19325024 AOFWBEFGCDPGTE-UHFFFAOYSA-N 377.444 4.595 5 50 GJBA CCCOc1ccc(/C=C/C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 9012337 ZXWQJHBSOBVIFA-BJMVGYQFSA-N 383.429 4.645 5 50 GJBA Cc1nc([N+](=O)[O-])c(Sc2nc3ccccc3s2)n1Cc1ccccc1 854058 HWXZABQQHTYFPO-UHFFFAOYSA-N 382.470 4.909 5 50 GJBA CC(=O)c1ccc(N2CCC(c3cc(-c4cccs4)[nH]n3)CC2)c([N+](=O)[O-])c1 4024799 AEAFGRSEFWGDRW-UHFFFAOYSA-N 396.472 4.633 5 50 GJBA CN(C(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1)C1CCCCC1 6690860 CBFCBZUEMDVWDC-UHFFFAOYSA-N 381.476 4.654 5 50 GJBA CCOC(=O)c1c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2n2ccccc12 1398643 UAJLPNXXOAGXSH-UHFFFAOYSA-N 390.395 4.756 5 50 GJBA COc1ccc(Cl)cc1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 4828980 RATWSNZYLPJVTJ-UHFFFAOYSA-N 389.717 4.920 5 50 GJBA CCOC(=O)c1ccsc1NC(=O)c1cc2c(ccc3ccccc32)oc1=N 17080113 UMLZIMOGAGWYFA-UHFFFAOYSA-N 392.436 4.556 5 50 GJBA O=[N+]([O-])c1ccccc1-c1ccc(-c2nn3c(-c4ccccc4)nnc3s2)o1 2860737 UURVZGWSURNYSF-UHFFFAOYSA-N 389.396 4.688 5 50 GJBA COc1ccc(C[C@H](C)N[C@@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)cc1 5032097 LXHZPHAZKBPJHO-LHSJRXKWSA-N 379.460 4.683 5 50 GJBA CC(=O)c1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 2848076 FVMPOGPMBZLVTI-UHFFFAOYSA-N 384.775 4.963 5 50 GJBA COc1cc2c(cc1NC(=O)COc1ccc([N+](=O)[O-])cc1)oc1ccccc12 2850604 UVTKFJKRAJOHJY-UHFFFAOYSA-N 392.367 4.520 5 50 GJBA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 2836652 BVSNBDRDOVOCJR-UHFFFAOYSA-N 375.812 4.548 5 50 GJBA O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[C@@H](c4ccc(F)c(F)c4)C3)cnc2c1 2325862579 ZQTGMXMEQXSVFS-TZMCWYRMSA-N 384.386 4.955 5 50 GJBA O=C(NC1c2ccccc2Oc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 1022274 NVVKTEAZJDRLIB-UHFFFAOYSA-N 380.787 4.873 5 50 GJBA Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1C 1118757 RHZWFWFYHVXGMJ-QFIPXVFZSA-N 389.407 4.993 5 50 GJBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1sc2ccccc2c1Cl 5572478 BOZUZZFYEZILJL-UHFFFAOYSA-N 391.861 4.590 5 50 GJBA Cc1cc(Br)c2oc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2c1 1349952036 SPJBGTSQXNRLFB-UHFFFAOYSA-N 389.205 4.973 5 50 GJBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccc(Cl)cc1Cl 2311993 JMRCGFOMEYXBFO-UHFFFAOYSA-N 399.230 4.708 5 50 GJBA CCN1C(=O)c2cccc3c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc1c23 4661883 QEQHXEMKAVWCHA-UHFFFAOYSA-N 395.802 4.634 5 50 GJBA Cc1nn(-c2ccccc2)c(OC(=O)C(C)C)c1Sc1ccccc1[N+](=O)[O-] 1144698 XEBWKXMAYLUEPP-UHFFFAOYSA-N 397.456 4.802 5 50 GJBA CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1129175 LFGMEKHKRBTDMG-LLVKDONJSA-N 391.880 4.889 5 50 GJBA O=C(O[C@]12[C@H]3CC[C@@H](C3)[C@@H]1[C@H]1C[C@H]2c2ccccc21)c1ccc([N+](=O)[O-])cc1 247346718 UTHHWEOJJWTUEP-QWBRSMMOSA-N 375.424 4.821 5 50 GJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)Oc1cc(C)c(Br)c(C)c1 1560687 HQJIHZDOKUMALB-UHFFFAOYSA-N 379.210 4.893 5 50 GJBA Cc1cc(C)n(-c2cc(Oc3ccc([N+](=O)[O-])cc3)nc(-c3ccccc3)n2)n1 2810875 ALYZUKLUZFCINO-UHFFFAOYSA-N 387.399 4.647 5 50 GJBA COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)ccc1[N+](=O)[O-] 1226959 YQTOZMWJTBKFBD-UHFFFAOYSA-N 389.367 4.664 5 50 GJBA CCOc1ccccc1NC(=O)c1ccc(COc2ccc(C)cc2[N+](=O)[O-])o1 669019 YFGINFJBENSMLY-UHFFFAOYSA-N 396.399 4.726 5 50 GJBA O=[N+]([O-])c1cnc(N(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)nc1 4106804 BBYPYLYAKFUPIP-UHFFFAOYSA-N 389.242 4.898 5 50 GJBA O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 17207858 ZMUJSQUPWBKHBQ-JOCHJYFZSA-N 396.406 4.735 5 50 GJBA O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)nc1 1144973 CAPHKCVWYGXDFG-UHFFFAOYSA-N 378.335 4.617 5 50 GJBA O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 4955147 HYIRFRFFQRZQPT-UHFFFAOYSA-N 378.413 4.728 5 50 GJBA O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1 4542126 VSVPGFOTFAEGPS-UHFFFAOYSA-N 375.595 4.573 5 50 GJBA O=[N+]([O-])c1cccc(Br)c1OCc1ccc(C(F)(F)F)cc1 68675269 IAEUUNDCOHBWAX-UHFFFAOYSA-N 376.128 4.955 5 50 GJBA O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccccc1[N+](=O)[O-] 1509882 BENLAIPDFBOYEP-UHFFFAOYSA-N 380.787 4.732 5 50 GJBA Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 2836777 XLHSZZAMCFFFJW-UHFFFAOYSA-N 395.271 4.989 5 50 GJBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 4091687 OWSUWGHNFRXXKM-UHFFFAOYSA-N 391.452 4.697 5 50 GJBA O=c1c2ccccc2nc(/C=C/c2ccccc2F)n1-c1ccc([N+](=O)[O-])cc1 4350295 NFQHPKYTXWNWRX-NTEUORMPSA-N 387.370 4.603 5 50 GJBA O=[N+]([O-])c1cccc([C@H]2C=C(c3ccc(Cl)cc3Cl)Nc3ncnn32)c1 101078928 IYTKAZQZJXDTKQ-MRXNPFEDSA-N 388.214 4.549 5 50 GJBA CC[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444309348 DOIRZUNLXOLHGK-LJQANCHMSA-N 382.463 4.658 5 50 GJBA O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 826625 UKZYBODSEQARHP-GZTJUZNOSA-N 394.770 4.853 5 50 GJBA COc1ccc(Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2[N+](=O)[O-])cc1 3998752 NSYQGACOUZMAHJ-HNNXBMFYSA-N 391.427 4.838 5 50 GJBA O=[N+]([O-])c1ccc(CSc2nnc(-c3cccc(Br)c3)o2)cc1 1209157 PQQZSNLPFPOLHY-UHFFFAOYSA-N 392.234 4.700 5 50 GJBA O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3ccc(Cl)cc3)c2c1 1389412 DXBPSDRBNDZPRI-UHFFFAOYSA-N 379.803 4.894 5 50 GJBA Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1NC(=O)c1ccco1 2979376 YXWURNHODREYMD-UHFFFAOYSA-N 399.790 4.654 5 50 GJBA aggregator O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccccc1[N+](=O)[O-] 4700646 QTBPACRDHZWWOL-UHFFFAOYSA-N 379.850 4.589 5 50 GJBA O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2c(Cl)c(Cl)ccc2s1 2859678 GFSQFEUFCMKEFR-UHFFFAOYSA-N 398.227 4.529 5 50 GJBA CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(OC)cc1 877724 WLGSLXJHRNLJAQ-UHFFFAOYSA-N 397.456 4.932 5 50 GJBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@H]1c1ccc2c3c(cccc13)CC2 2873355 DIRZDYWWPRMLKK-QFIPXVFZSA-N 390.464 4.734 5 50 GJBA O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc([N+](=O)[O-])cc1Cl 995248 DRSRIVORJVZFAZ-UHFFFAOYSA-N 377.784 4.763 5 50 GJBA O=C(Nc1ncc([N+](=O)[O-])s1)c1cc(-c2ccccc2)nc2ccccc12 4196018 QSGDVDULPGKPOX-UHFFFAOYSA-N 376.397 4.519 5 50 GJBA O=[N+]([O-])c1ccc(N2CCOCC2)cc1NC(c1ccccc1)c1ccccc1 4543355 GWLXXKFCXCTZJW-UHFFFAOYSA-N 389.455 4.633 5 50 GJBA aggregator CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 1168152 DYJUBSPGWWBPRV-UHFFFAOYSA-N 379.416 4.953 5 50 GJBA NC1=N[C@@H](c2c3ccccc3cc3ccccc23)N(c2cccc(Cl)c2)C(N)=N1 96027068 SZMMTUVDHGWHAX-OAQYLSRUSA-N 399.885 4.795 5 50 GJBA Cc1c(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cccc1[N+](=O)[O-] 997717 ICMIMCSSGIVCBD-UHFFFAOYSA-N 375.356 4.557 5 50 GJBA CCOc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C)cc1 877685 LIPMNIYASHTDTM-UHFFFAOYSA-N 383.429 4.678 5 50 GJBA Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C)cc2[N+](=O)[O-])C3=O)cc1 4905524 POMZZBLIJKMCGP-UHFFFAOYSA-N 388.379 4.805 5 50 GJBA CCCNc1nc2c(s1)c(=O)[nH]c1c2sc2nc(C(F)(F)F)cc(C)c21 20607474 DOWSPYBCLVRXLV-UHFFFAOYSA-N 398.435 4.897 5 50 GJBA O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 52537468 XMBJEEIWJKXAGN-UHFFFAOYSA-N 395.846 4.566 5 50 GJBA Cc1cc(C)c2oc(C(=O)NCCSc3ccc([N+](=O)[O-])cc3)c(C)c2c1 1857800686 PPIUMYSVQCAHPN-UHFFFAOYSA-N 384.457 4.788 5 50 GJBA Cc1c(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 1150725 WGFSBIMWGQCWTN-OAQYLSRUSA-N 375.380 4.684 5 50 GJBA Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)ccc1[N+](=O)[O-] 1111354 TXJAXHKBPITYCC-UHFFFAOYSA-N 393.365 4.775 5 50 GJBA O=C(Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)c1ccccc1 1207562 GDCDXVOXVDKOOW-UHFFFAOYSA-N 395.802 4.753 5 50 GJBA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 2835534 OOAVLNHACFGQOF-UHFFFAOYSA-N 375.812 4.548 5 50 GJBA O=[N+]([O-])c1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 1007216 WOVOPMKCIDWQHD-YLJYHZDGSA-N 377.425 4.899 5 50 GJBA O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2ccccc2)cc1 1179757 RQEHJGPLUSETMO-UHFFFAOYSA-N 395.415 4.528 5 50 GJBA O=C(O[C@@H]1C=CC23CCCCC12CCCC3)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 45071277 WUORKMIEGGYXQL-QHGAOEGBSA-N 386.404 4.719 5 50 GJBA Cn1ncc2c(-c3ccc(F)c(Cl)c3)c3oc4cc(O)cc(O)c4c3nc21 409415615 SVMZOPCGSNTEHP-UHFFFAOYSA-N 383.766 4.738 5 50 GJBA CCOc1ccc2nc(SCc3ccc(OC)c([N+](=O)[O-])c3)sc2c1 1058287 KQOGYGVSEGMJRD-UHFFFAOYSA-N 376.459 4.904 5 50 GJBA COc1ccc(Oc2cc([N+](=O)[O-])cc3c2C(=O)Nc2ccccc2O3)cc1 969354 GHDCZHVQIGWOMS-UHFFFAOYSA-N 378.340 4.754 5 50 GJBA Cc1cccc(-n2c(/C=C/c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)c1 4419898 XHOWOWGJTWXPHN-BUHFOSPRSA-N 383.407 4.773 5 50 GJBA Cc1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 4978605 GQIOJSBWUHKBSC-UHFFFAOYSA-N 376.368 4.820 5 50 GJBA CC[C@H](C)N(C)C(=O)c1cc2ccccc2c(-c2cc([N+](=O)[O-])ccc2F)n1 5924866 GXXKDYZSBGOJQN-ZDUSSCGKSA-N 381.407 4.820 5 50 GJBA Cc1cc(Br)cc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1180357 NFIQMPPWTPOTLT-UHFFFAOYSA-N 383.629 4.880 5 50 GJBA Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 4695550 CLMYXGUOLUCRPZ-UHFFFAOYSA-N 376.840 4.872 5 50 GJBA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cn1 4881778 JKWWPZWEELKPEG-UHFFFAOYSA-N 393.186 4.512 5 50 GJBA O=C1OC(c2ccccc2)=N/C1=C/Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 100477281 WQPXJBSTCKHICC-XSFVSMFZSA-N 385.379 4.519 5 50 GJBA C[C@@H]1Oc2ccccc2C=C1c1c2cnn(C)c2nc2c1oc1cc(O)cc(O)c12 409415346 BOJJKIYDOFCFNL-NSHDSACASA-N 399.406 4.600 5 50 GJBA biogenic O=[N+]([O-])c1cccc(-c2ccc(-c3nn4c(-c5ccccc5)nnc4s3)o2)c1 1113915 UTRCOKAEWWQDTA-UHFFFAOYSA-N 389.396 4.688 5 50 GJBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 4258307 VLQNMRKJZFXHOG-OAHLLOKOSA-N 392.411 4.676 5 50 GJBA CCOC(=O)[C@@H](Oc1ccc2c(oc(=O)c3ccccc32)c1C)c1ccccc1 622172 UAIHPIQVMGMISS-QFIPXVFZSA-N 388.419 4.938 5 50 GJBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 4818863 RTYSIZOOYGNEIN-UHFFFAOYSA-N 386.367 4.564 5 50 GJBA O=Cc1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1158440 DKAJZHFAKBBGSZ-UHFFFAOYSA-N 390.111 4.981 5 50 GJBA Cc1ccc(-n2c(/C=C/c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 4550646 SUQVQLLDPPBEHV-NTCAYCPXSA-N 383.407 4.773 5 50 GJBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Br)ccc1Cl 4699643 QWGXSPOYCPKCRY-UHFFFAOYSA-N 390.020 4.916 5 50 GJBA O=C(Nc1ccccc1OC(F)F)c1cc([N+](=O)[O-])c(Cl)cc1Cl 408515598 CZYBCTYZWVRHMA-UHFFFAOYSA-N 377.130 4.755 5 50 GJBA O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc([N+](=O)[O-])cc1Cl 1169928 XHOSOUMGJXXEQI-UHFFFAOYSA-N 394.774 4.704 5 50 GJBA O=c1c2ccccc2c2nc3c(c(-c4ccc(O)cc4)c12)c(=O)c1ccccc13 629680 GIVQKVWIDSVTRZ-UHFFFAOYSA-N 375.383 4.663 5 50 GJBA Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1[N+](=O)[O-] 828024 ATINTRZEWHPCEG-UHFFFAOYSA-N 388.383 4.667 5 50 GJBA CC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)nc2c1c(=O)oc1ccccc12 707446 UXLBEKKWPZKDRC-UHFFFAOYSA-N 387.439 4.659 5 50 GJBA O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 2984517 MHHOLXMHHNODBU-UHFFFAOYSA-N 385.272 4.565 5 50 GJBA O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1064085 QUJSOZPFHXQTHW-UHFFFAOYSA-N 377.400 4.707 5 50 GJBA CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 4457102 HVBVBFGKIGZYOH-HMHNVIDESA-N 399.428 4.617 5 50 GJBA O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)c(Cl)c1 1165232 IUWMOJWPQMDTDQ-UHFFFAOYSA-N 388.590 4.595 5 50 GJBA COc1ccc(NCC/N=c2\cc(C)[nH]c3c2ccc2ccccc23)cc1OC 5796814 ZYGWGODFOASSCK-UHFFFAOYSA-N 387.483 4.660 5 50 GJBA Cc1cc([N+](=O)[O-])cc(C)c1OCCCCOc1c(C)cc([N+](=O)[O-])cc1C 2880285 ZDAQDQSBYBOGEL-UHFFFAOYSA-N 388.420 4.975 5 50 GJBA O=C(Oc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 1133254 PRLQEDUKUANZNY-UHFFFAOYSA-N 385.379 4.667 5 50 GJBA O=C(Nc1ccccc1C(=O)Oc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 1187207 RMJNYXWIWXIGHP-UHFFFAOYSA-N 396.786 4.720 5 50 GJBA Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1 1160115 QJURVYOVKCWDFF-UHFFFAOYSA-N 380.351 4.560 5 50 GJBA Cc1ccc(C(=O)[C@@H](OC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 1165056 RCULYDAQDUZMBZ-QFIPXVFZSA-N 389.407 4.993 5 50 GJBA Cc1c(Sc2cc(Br)ccc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 4474749 WOOKWVFMEZLBFA-UHFFFAOYSA-N 387.186 4.864 5 50 GJBA C[N@@+]12CCCC[C@H]1[C@@H](COC(=O)C13C[C@H]4C[C@@H](CC(Cl)(C4)C1)C3)CCC2 252461040 KBOAUZXZOYOMEX-KXKPZHKESA-N 380.980 4.517 5 50 GJBA biogenic O=[N+]([O-])c1cccc(Cl)c1CSc1nnnn1-c1cccc2ccccc12 1156841 JKMZHOHQEPNDBU-UHFFFAOYSA-N 397.847 4.669 5 50 GJBA CCC(C)(C)c1ccc(Oc2nc([N+](=O)[O-])nn2Cc2ccccc2F)cc1 1426575 IEIAAVOJJLLYOP-UHFFFAOYSA-N 384.411 4.854 5 50 GJBA O=[N+]([O-])c1cccc([C@@H]2C=C(c3ccc(Cl)cc3Cl)Nc3ncnn32)c1 101078925 IYTKAZQZJXDTKQ-INIZCTEOSA-N 388.214 4.549 5 50 GJBA Cc1cc(C)cc(NC(=O)COc2ccc3c(oc(=O)c4ccccc43)c2C)c1 2854588 XUJVIGJZIOQJCA-UHFFFAOYSA-N 387.435 4.889 5 50 GJBA Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 861668 QHKDKHMOEBZHNS-UHFFFAOYSA-N 382.763 4.929 5 50 GJBA CSc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 1161498 SSMFVTVEGKAYJX-MHWRWJLKSA-N 386.454 4.553 5 50 GJBA CCCCc1cc(=O)oc2cc(OCc3cc([N+](=O)[O-])ccc3OC)ccc12 2892007 JPUWFNOMOXSLCA-UHFFFAOYSA-N 383.400 4.631 5 50 GJBA O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1cccc([N+](=O)[O-])c1 1151173 VPPRBUVBKHORGO-HNNXBMFYSA-N 383.454 4.709 5 50 GJBA CC(C)c1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 980007 NCSOFCYZRMMGCF-WOJGMQOQSA-N 382.441 4.955 5 50 GJBA O=C(Nc1ccc(F)c(Cl)c1)c1ccc(COc2ccccc2[N+](=O)[O-])o1 2762991 LNSFLIPNCIETPJ-UHFFFAOYSA-N 390.754 4.812 5 50 GJBA COc1ccc(C[C@@H](C)N[C@@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)cc1 5032099 LXHZPHAZKBPJHO-SPLOXXLWSA-N 379.460 4.683 5 50 GJBA COc1cccc(NC(=O)c2ccc(NCCc3ccccc3)c([N+](=O)[O-])c2)c1 5064997 UUQYYKGKZKBOID-UHFFFAOYSA-N 391.427 4.510 5 50 GJBA O=[N+]([O-])c1cc(-c2nnc3c(C(F)(F)F)nc4ccccc4n23)ccc1Cl 4053033 OSAVJVHNBCRLST-UHFFFAOYSA-N 393.712 4.525 5 50 GJBA COc1ccc(Cl)cc1NC(=O)c1cc2c(ccc3ccccc32)oc1=N 17077499 NRCXEAYMQBTMPA-UHFFFAOYSA-N 378.815 4.980 5 50 GJBA CCCCN(C(=O)OCCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 4800267 DFDRPBYQLCRULP-UHFFFAOYSA-N 393.318 4.675 5 50 GJBA CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21 5090809 QKOIJIPMLYEQMI-UHFFFAOYSA-N 395.440 4.523 5 50 GJBA COc1ccc(Cl)cc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 12062405 MJEYANCETKAKJQ-UHFFFAOYSA-N 379.799 4.861 5 50 GJBA c1cnc(N2CCN(Cc3ccc4ccc5cccc6ccc3c4c56)CC2)nc1 19632935 JTPHVCGJUNKECK-UHFFFAOYSA-N 378.479 4.696 5 50 GJBA O=C(/C=C/c1cncs1)OCc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 2325748878 FULZAYHDRAXEMM-CMDGGOBGSA-N 382.397 4.600 5 50 GJBA CCCCCOc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 1799598 DDTPYTGPXHAFJI-ZRDIBKRKSA-N 384.432 4.824 5 50 GJBA CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br 4819576 SGCGJXKZPOPHIP-UHFFFAOYSA-N 399.628 4.662 5 50 GJBA O=C(Oc1ccccc1C(=O)Nc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 1154890 HVNURRLEVKXHQR-UHFFFAOYSA-N 396.786 4.720 5 50 GJBA CCOc1cc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc(OCC)c1OCC 1120848 LGPHJQGAICSGNS-UHFFFAOYSA-N 399.403 4.508 5 50 GJBA CCC(=O)c1ccc(OC(=O)CCSc2ccc([N+](=O)[O-])cc2Cl)cc1 5013371 OVNSVABCPUEJKB-UHFFFAOYSA-N 393.848 4.929 5 50 GJBA O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc([N+](=O)[O-])o1 830410 KXROYXDQXPLDFM-UHFFFAOYSA-N 383.747 4.902 5 50 GJBA Cc1cccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccccc2[N+](=O)[O-])c1 15837274 GHWAWPUCSLBMTD-YPKPFQOOSA-N 383.407 4.773 5 50 GJBA O=[N+]([O-])c1ccc(OCc2ccc(F)cc2)c(/C=C2/SC(=S)N=C2O)c1 1181554 IIPHGJRWGDMKKV-OVCLIPMQSA-N 390.417 4.642 5 50 GJBA COc1ccc(Br)cc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C 4499453 UHAREORRPCHZGP-UHFFFAOYSA-N 399.628 4.580 5 50 GJBA O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cccc([N+](=O)[O-])c1 826461 JHFIEDFSKDOOHA-UHFFFAOYSA-N 377.331 4.794 5 50 GJBA CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1153918 AREQHTORZWYQQF-OAQYLSRUSA-N 389.411 4.765 5 50 GJBA Cc1ccc(C(=O)[C@H](OC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 1165055 RCULYDAQDUZMBZ-JOCHJYFZSA-N 389.407 4.993 5 50 GJBA COc1ccc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cn1cccn1 170591542 WPGBHWHZIQRRHD-IRXDYDNUSA-N 394.475 4.568 5 50 GJBA O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cc([N+](=O)[O-])ccc1Cl 1134913 BIYKWBKOZHCIGD-UHFFFAOYSA-N 385.832 4.723 5 50 GJBA CC(C)(C)c1ccc(NC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 4531851 KXMDFPTYYQDFNN-UHFFFAOYSA-N 377.238 4.907 5 50 GJBA COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 5041491 FUUXBOCLYCZRGU-UHFFFAOYSA-N 388.383 4.691 5 50 GJBA O=c1c2ccccc2[nH]c2ccc(Oc3ccc([N+](=O)[O-])c4cnccc34)cc12 2325710400 IILRQINPGHZALR-UHFFFAOYSA-N 383.363 4.930 5 50 GJBA CCOc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 1185110 ARTSJQDUQMQWIY-UHFFFAOYSA-N 399.628 4.662 5 50 GJBA Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 4838910 YXFXYGHJNKVQCR-UHFFFAOYSA-N 384.395 4.766 5 50 GJBA CN(C(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1)c1ccccc1 5063484 QFJRQEMEJCQYBM-UHFFFAOYSA-N 375.428 4.526 5 50 GJBA Cc1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)c3cccc(C)c3)c2)c1 4893216 AAHFJGWWLXUSFI-UHFFFAOYSA-N 389.411 4.716 5 50 GJBA O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1025133 KIEGXLJFCOKEHD-UHFFFAOYSA-N 380.787 4.732 5 50 GJBA O=C(Oc1cc(-c2ccccc2)c2oc(=O)sc2c1)c1ccc([N+](=O)[O-])cc1 1188789 ALXSEFPKSKHEBE-UHFFFAOYSA-N 393.376 4.649 5 50 GJBA biogenic O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccc([N+](=O)[O-])c1 2573335 JEAHEAIQPROIEB-UHFFFAOYSA-N 391.408 4.829 5 50 GJBA O=[N+]([O-])c1ccc2c(c1)C(=C(Cl)Cl)O[C@H](C(Cl)(Cl)Cl)O2 2519718 JBMFMIXAZCTFGE-SECBINFHSA-N 379.410 4.804 5 50 GJBA O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 17207857 ZMUJSQUPWBKHBQ-QFIPXVFZSA-N 396.406 4.735 5 50 GJBA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc([N+](=O)[O-])c1C 1052110 BVKUHDMEYMKLOL-UHFFFAOYSA-N 389.770 4.911 5 50 GJBA c1cc2c(cc1O[C@H]1CCCCO1)nnc1cc(O[C@@H]3CCCCO3)ccc12 252551332 UCJCXWLJKXAHSH-SZPZYZBQSA-N 380.444 4.594 5 50 GJBA O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1-c1cccc(Cl)c1 1081660 GQYSIWWNVUGHIU-UHFFFAOYSA-N 377.787 4.614 5 50 GJBA C[C@H](C(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc([N+](=O)[O-])c2nc1O 6373500 NWQCIYNXFLQWPC-QMMMGPOBSA-N 392.198 4.537 5 50 GJBA O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1CC[C@H]3O1 100373669 OTPNDVKVEAIXTI-HZPDHXFCSA-N 393.402 4.607 5 50 GJBA in-vitro O=C(Nc1cccc(Br)c1)c1cc2c(ccc3ccccc32)oc1=O 845988 RIFFNZBOMVCBPN-UHFFFAOYSA-N 394.224 4.961 5 50 GJBA CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(-c2cc([N+](=O)[O-])ccc2F)n1 5922247 GXXKDYZSBGOJQN-CYBMUJFWSA-N 381.407 4.820 5 50 GJBA Cc1ccc(-c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1 2826616 BULATHOVPDTYDN-UHFFFAOYSA-N 391.814 4.923 5 50 GJBA aggregator COc1ccc([C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 4419882 BGWYLHWVVVCQJA-NRFANRHFSA-N 376.412 4.764 5 50 GJBA O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1ccc(Oc2ccccc2)cc1 16310097 JPUSHPXDJXMAKM-UHFFFAOYSA-N 393.315 4.575 5 50 GJBA Cn1ncc2c(-c3cccc(OC(F)F)c3)c3oc4cc(O)cc(O)c4c3nc21 409415605 SHGAAMMUJHBFSL-UHFFFAOYSA-N 397.337 4.547 5 50 GJBA COc1cccc(-c2csc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c1 1791130 CJNMDVOJTVJHOI-UHFFFAOYSA-N 389.820 4.633 5 50 GJBA Cc1cc(C(F)F)nc2sc3c4nc(NC5CC5)sc4c(=O)[nH]c3c12 20607469 AEYUUWAJLZJHFV-UHFFFAOYSA-N 378.429 4.568 5 50 GJBA CC(C)(C)c1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 851648 PZQGJIUZHKAHPN-UHFFFAOYSA-N 378.222 4.874 5 50 GJBA Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 4573152 RHABBXRPWCSIIE-MRXNPFEDSA-N 396.468 4.610 5 50 GJBA O=C1c2ccc(Oc3ccc(Cl)cc3)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 4914513 ZLZCVTGTXHFXSR-UHFFFAOYSA-N 394.770 4.841 5 50 GJBA COc1cc([N+](=O)[O-])cc2cc(-c3nc(-c4ccccc4)cs3)c(=O)oc12 4857219 VCQFNNWTUOUTQA-UHFFFAOYSA-N 380.381 4.500 5 50 GJBA CCCCCCC(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 5250173 FRGXFVPWGRPRNC-CQSZACIVSA-N 396.702 4.790 5 50 GJBA C[C@@H](CSc1c2ccc(N(C)C)cc2nc2cc(N(C)C)ccc12)CN(C)C 71767300 QKXWCCANUOWYTB-MRXNPFEDSA-N 396.604 4.810 5 50 GJBA Cc1cc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)ccc1[N+](=O)[O-] 1157402 XJHWLJNYEDDGPP-UHFFFAOYSA-N 381.428 4.991 5 50 GJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(Br)cc1 1062147 SWWJAPQUMYLDQB-UHFFFAOYSA-N 395.278 4.538 5 50 GJBA Cc1cccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3CCC(C)C)c1 4867372 YDORTVNWSUYUSE-UHFFFAOYSA-N 397.482 4.638 5 50 GJBA O=[N+]([O-])c1ccc(-c2ccc(/C=C/c3cc(C(F)(F)F)nc(O)n3)o2)cc1 3833704 KGJFOVNBCLBWLW-ZZXKWVIFSA-N 377.278 4.540 5 50 GJBA CCN(CC)CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1738647 YRFYIORBFFGPPZ-OAQYLSRUSA-N 383.492 4.578 5 50 GJBA CCOc1ccccc1-c1csc(NC(=O)c2cccc([N+](=O)[O-])c2C)n1 1791470 NUGCGDKZUGVDOV-UHFFFAOYSA-N 383.429 4.678 5 50 GJBA O=c1c([N+](=O)[O-])c(Nc2ccc(F)cc2)c2ccccc2n1-c1ccccc1 16183747 OFTICTVCKAUBPR-UHFFFAOYSA-N 375.359 4.782 5 50 GJBA O=[N+]([O-])c1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1Cl 25576440 AHYBWBYWJSVTQT-UHFFFAOYSA-N 375.775 4.888 5 50 GJBA COc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 17076944 RBBVJIWLTLLTHN-UHFFFAOYSA-N 376.412 4.764 5 50 GJBA O=C(Nc1cccc(C(=O)Nc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 752612 WNFVMNYWRUUZDS-UHFFFAOYSA-N 395.802 4.753 5 50 GJBA O=[N+]([O-])c1cccc(-c2noc(-c3cc(Br)ccc3Cl)n2)c1 5060121 OALIJNDVHYHPJQ-UHFFFAOYSA-N 380.585 4.728 5 50 GJBA COc1cccc(OCc2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)c1 1002305 PZWGWWCETXBCGO-UHFFFAOYSA-N 392.411 4.743 5 50 GJBA Cc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 1136625 KEHBDLMRSZHVFH-UHFFFAOYSA-N 390.395 4.513 5 50 GJBA COc1ccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1 1156267 TXRCPSOALKDCKD-UHFFFAOYSA-N 389.367 4.664 5 50 GJBA CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 4724817 QGKWRBVOWCQDPQ-UHFFFAOYSA-N 391.880 4.673 5 50 GJBA O=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 2998973 YSWCFDRSCANDSF-UHFFFAOYSA-N 390.111 4.981 5 50 GJBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2ccccc12 657022 NYTPNZNZRHZNOC-UHFFFAOYSA-N 384.413 4.547 5 50 GJBA O=C(Nc1ccccc1)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 1209699 UUTWFVIRFSFYKT-UHFFFAOYSA-N 395.802 4.753 5 50 GJBA Cc1ccc([C@H](C)NC(=O)c2cccnc2Nc2cccc(F)c2)cc1[N+](=O)[O-] 170653412 LSEAWXVIXFHQCG-AWEZNQCLSA-N 394.406 4.672 5 50 GJBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)c2cccs2)c1 1167751 IUARPODBLMDRIG-MDZDMXLPSA-N 393.424 4.561 5 50 GJBA aggregator O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2ccccc12 1177782 MHSHNBJQDWBENV-UHFFFAOYSA-N 385.832 4.528 5 50 GJBA COc1ccc(NC(=O)c2ccccc2CCc2ccccc2)c([N+](=O)[O-])c1 4833240 SMOIUBWHYNIJJR-UHFFFAOYSA-N 376.412 4.641 5 50 GJBA COc1ccc([N+](=O)[O-])cc1NCc1ccc(OC)c(OCc2ccccc2)c1 2770392 LVOBKRVKAMAZTK-UHFFFAOYSA-N 394.427 4.803 5 50 GJBA Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 1229003 JJXFFKOHLJCBFF-UHFFFAOYSA-N 389.411 4.716 5 50 GJBA O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 17208146 RFMORLKBSBJSGA-JOCHJYFZSA-N 396.406 4.735 5 50 GJBA COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cccc([N+](=O)[O-])c1 2749171 BUAOVPSNCQYAQJ-UHFFFAOYSA-N 396.424 4.671 5 50 GJBA O=C(Nc1nnc(SC/C=C/c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 2872126 WGQIZRSSQYZMFW-QPJJXVBHSA-N 398.469 4.504 5 50 GJBA O=[N+]([O-])c1cccc(NC(=S)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)c1 5042043 JYQDRAQJSUAJHJ-UHFFFAOYSA-N 397.504 4.526 5 50 GJBA O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(Oc2ccccc2)cc1 2884631 YDMFYIMHJSOZTR-UHFFFAOYSA-N 381.413 4.513 5 50 GJBA Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1151285 WXPCLZDIZNSAFX-UHFFFAOYSA-N 389.622 4.881 5 50 GJBA O=C(c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 4845984 KGXPAEXNOWUTLY-UHFFFAOYSA-N 389.249 4.579 5 50 GJBA COc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccccc2[N+](=O)[O-])cc1 754261 QMFPAKWWOAOSPA-UHFFFAOYSA-N 380.375 4.590 5 50 GJBA Cc1cc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)ccc1[N+](=O)[O-] 2880998 NWEKXYKHQXGOBA-UHFFFAOYSA-N 384.395 4.766 5 50 GJBA O=C(Nc1cccc(N2CCCCCC2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 170637020 NATPYWSOZFPBSO-UHFFFAOYSA-N 378.432 4.709 5 50 GJBA COC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1[N+](=O)[O-] 214477601 JLDMDYKFKNFMEY-UHFFFAOYSA-N 393.395 4.539 5 50 GJBA O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(Cl)ccc1[N+](=O)[O-] 826986 KDSIYTJEBYGDIP-UHFFFAOYSA-N 395.777 4.753 5 50 GJBA C[C@@H](C(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc([N+](=O)[O-])c2nc1O 6694125 NWQCIYNXFLQWPC-MRVPVSSYSA-N 392.198 4.537 5 50 GJBA Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)cc1C 4833915 MDWSPGSMGGYZNC-UHFFFAOYSA-N 388.379 4.805 5 50 GJBA COc1cccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)c1 990037 BAEVEFNKUYDGMY-UHFFFAOYSA-N 389.367 4.664 5 50 GJBA CCCCn1c2nc3ccccc3nc2c2c(=O)n([C@H](C)c3ccccc3)cnc21 4866966 PQSGSNWOKHDZSY-MRXNPFEDSA-N 397.482 4.704 5 50 GJBA O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 5102157 CAULTRQMBAHRQM-NTCAYCPXSA-N 383.407 4.523 5 50 GJBA CCCNc1nc2c(s1)c(=O)[nH]c1c2sc2nc(C(F)F)cc(C)c21 20607322 FULLPKJJLMQQCQ-UHFFFAOYSA-N 380.445 4.815 5 50 GJBA Cc1c(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cccc1[N+](=O)[O-] 1207622 VIEOIBBJUGOVFI-UHFFFAOYSA-N 399.790 4.654 5 50 GJBA O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 5052895 HVUXTTMAEYJVAJ-MFOYZWKCSA-N 378.771 4.746 5 50 GJBA CCCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1[N+](=O)[O-] 1857798306 XFEACAVBNAUYFE-UHFFFAOYSA-N 393.237 4.707 5 50 GJBA COc1cc(C=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1144682 LBWCLKBBHHXSQI-UHFFFAOYSA-N 375.686 4.880 5 50 GJBA COc1c(Cl)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl 1170228 DHQVHRHWVHDUNF-UHFFFAOYSA-N 375.595 4.816 5 50 GJBA CCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 1150117 ULRNTYFQCSUJPZ-CSKARUKUSA-N 387.823 4.639 5 50 GJBA CCSc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-] 1084505 VHAXREBBRPJMDX-UHFFFAOYSA-N 393.468 4.945 5 50 GJBA O=[N+]([O-])c1cc(-c2nnc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)ccc1Cl 1720533 XDJOUQBOFCTFFW-UHFFFAOYSA-N 381.131 4.527 5 50 GJBA O=C(N[C@H](Cc1ccccc1)c1ccccc1)OCc1ccc([N+](=O)[O-])cc1 5737184 QPUMTIYFEPJZFK-OAQYLSRUSA-N 376.412 4.805 5 50 GJBA O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 15016302 WOVOPMKCIDWQHD-XLIONFOSSA-N 377.425 4.899 5 50 GJBA O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1CCc1ccccc1 4918199 YLPYSTDYNCCNNG-NTCAYCPXSA-N 397.434 4.718 5 50 GJBA COP(=O)(OC)[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12 5060027 VSNXSESASMGADA-QGZVFWFLSA-N 375.321 4.673 5 50 GJBA O=C(O)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1Cc3ccccc3[C@H]21 4151471 NSBACPAXNQNGKI-CEWLAPEOSA-N 386.407 4.764 5 50 GJBA O=C(NCc1nc(C(F)(F)F)cs1)c1cc2ccccc2c2cccnc12 225409665 NIVSMEDUJWFCAY-UHFFFAOYSA-N 387.386 4.793 5 50 GJBA Cc1cccc(NC(=O)c2ccc(N(C)Cc3ccccc3)c([N+](=O)[O-])c2)c1 4668152 RAIUQIZXUFHCDV-UHFFFAOYSA-N 375.428 4.792 5 50 GJBA O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 823295 RIANNPYNUKVCAK-UHFFFAOYSA-N 395.802 4.753 5 50 GJBA COc1ccc([C@H]2CCCCCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 170607378 BHKQGAZCPBLEKB-OAQYLSRUSA-N 393.443 4.842 5 50 GJBA O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc([N+](=O)[O-])cc1 4558135 AGUITQCXLODUFM-UHFFFAOYSA-N 379.850 4.589 5 50 GJBA O=C(c1cccs1)N1N=C(c2cccs2)C[C@@H]1c1cccc([N+](=O)[O-])c1 1151172 VPPRBUVBKHORGO-OAHLLOKOSA-N 383.454 4.709 5 50 GJBA CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 1173927 NDCCVQWTMYBYRK-UHFFFAOYSA-N 379.416 4.953 5 50 GJBA O=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 55543069 CASTUBLHJZQMPO-UHFFFAOYSA-N 399.800 4.589 5 50 GJBA O=[N+]([O-])c1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1Cl 55543939 PWTCGONEOKKOHG-UHFFFAOYSA-N 399.800 4.589 5 50 GJBA O=C(Nc1cccc([N+](=O)[O-])c1)c1c(Br)sc2c1CCCC2 1158777 PBZZOUUJHILSPL-UHFFFAOYSA-N 381.251 4.550 5 50 GJBA CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccc(Cl)cc1Cl 1119143 AVUHAVSSIJCYPI-UHFFFAOYSA-N 396.259 4.726 5 50 GJBA O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 1164402 TWZFGEYWYNMCTO-UHFFFAOYSA-N 388.590 4.595 5 50 GJBA O=C(O)c1ccc(N[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 1111992 DRBWUGJJKRTKMJ-HXUWFJFHSA-N 390.395 4.719 5 50 GJBA O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1Cl 1158969 JNIWBMLJDJCXCJ-UHFFFAOYSA-N 377.787 4.614 5 50 GJBA COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1OC 239339162 LTXUGMDVHOCCQO-PPRBQIKUSA-N 380.444 4.909 5 50 GJBA O=c1c2ccccc2nc(/C=C/c2cccs2)n1-c1ccc([N+](=O)[O-])cc1 5014227 YXZRWYWXOWXPMU-VAWYXSNFSA-N 375.409 4.526 5 50 GJBA O=[N+]([O-])c1ccc(Cn2cc(-c3ccc(Cl)c(Cl)c3)[n+]3c2CCC3)cc1 13801726 QLIXLJRNMWPRBW-UHFFFAOYSA-N 389.262 4.652 5 50 GJBA CCn1ccc(C(=O)Nc2cc(Oc3ccc(Cl)cc3)cc([N+](=O)[O-])c2)n1 653253 KZDURFPGJJDRJX-UHFFFAOYSA-N 386.795 4.509 5 50 GJBA O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 13382002 VKUYYBVHGDJQDM-IFMALSPDSA-N 389.386 4.976 5 50 GJBA O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](c1ccccc1)C1CCCC1 2859577 FIPBKSLODWXUMP-HXUWFJFHSA-N 388.851 4.675 5 50 GJBA O=C1c2cccc(Oc3ccc(Cl)cc3)c2C(=O)N1c1cccc([N+](=O)[O-])c1 1144351 VHTJBRWECVVKGZ-UHFFFAOYSA-N 394.770 4.841 5 50 GJBA O=[N+]([O-])c1ccc2c(c1)C(=C(Cl)Cl)O[C@@H](C(Cl)(Cl)Cl)O2 25758150 JBMFMIXAZCTFGE-VIFPVBQESA-N 379.410 4.804 5 50 GJBA COc1cc2c(cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1)oc1ccccc12 4549027 QFXJBFPWTRVNQV-UHFFFAOYSA-N 376.368 4.684 5 50 GJBA O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 1207454 ZEAFBECCTFZQIK-UHFFFAOYSA-N 394.774 4.704 5 50 GJBA Cc1ccc(-c2csc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c(C)c1 1200212 JAQTXPNRYAYURB-VQHVLOKHSA-N 379.441 4.987 5 50 GJBA O=C(COc1ccc(Cl)cc1Cl)OCc1ccc([N+](=O)[O-])cc1Cl 4833871 ICKCRRDOQVJAJZ-UHFFFAOYSA-N 390.606 4.677 5 50 GJBA Cc1ccc(C(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1C 1119813 NHWVMYCUSMHGHZ-JOCHJYFZSA-N 389.407 4.993 5 50 GJBA O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1 1060324 YZSKOQJPQCYWFK-UHFFFAOYSA-N 390.770 4.998 5 50 GJBA Cc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)c1C 1150729 LIQVTSNLRWEDIJ-UHFFFAOYSA-N 389.411 4.716 5 50 GJBA CC[C@H](C)c1ccc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 5062924 CLYHNRIEEIKAEI-INIZCTEOSA-N 398.532 4.627 5 50 GJBA CCOc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)sc2c1 1116451 ZJAJFTUSNASYPK-UHFFFAOYSA-N 377.809 4.509 5 50 GJBA COc1ccc(-c2ccccc2)cc1NCc1cc(OC)c(OC)cc1[N+](=O)[O-] 23282910 JVZNWNNOSGQZER-UHFFFAOYSA-N 394.427 4.900 5 50 GJBA CC(C)(C)OC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])s1 84559538 WYSLOKHVFKLWOU-UHFFFAOYSA-N 396.896 4.654 5 50 GJBA in-vitro Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)ccc1[N+](=O)[O-] 670319 LXYWBKAVIVDQPL-UHFFFAOYSA-N 375.356 4.557 5 50 GJBA CCOC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2ccccc12 671691 VWFQXUQJVJIOBC-UHFFFAOYSA-N 384.413 4.547 5 50 GJBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1CCc1ccccc1 951547 CWEWSKLNNBTNSW-UHFFFAOYSA-N 376.412 4.641 5 50 GJBA COc1ccccc1OCc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 1111797 KWVGWNXKDDEFMY-UHFFFAOYSA-N 393.395 4.539 5 50 GJBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 1154232 MCSKHDLSWQJFNF-UHFFFAOYSA-N 399.406 4.805 5 50 GJBA O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccc(Cl)cc1 4839844 WXQKGLQLBFUEHU-PKNBQFBNSA-N 393.786 4.711 5 50 GJBA O=[N+]([O-])c1ccc(N(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1 72400680 LSNJBIDKQIRWRQ-UHFFFAOYSA-N 380.316 4.881 5 50 GJBA in-vitro CC[C@@H](C)c1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1 1000972 FYLIWCFPJNZYGQ-OAHLLOKOSA-N 378.432 4.605 5 50 GJBA Cc1c(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cccc1[N+](=O)[O-] 4819903 TYYMGHWPPTXIKQ-UHFFFAOYSA-N 375.380 4.610 5 50 GJBA CCOC(=O)c1c(C)sc(Sc2ccc(Cl)cc2[N+](=O)[O-])c1OC 977898 IESCCWOVPKJHAO-UHFFFAOYSA-N 387.866 4.955 5 50 GJBA COc1cccc(Nc2c([N+](=O)[O-])c(=O)n(-c3ccccc3)c3ccccc23)c1 5586909 DIIDKKQKJAMRQC-UHFFFAOYSA-N 387.395 4.651 5 50 GJBA CCc1ccc2c(Cl)c(C(=O)Nc3ccc([N+](=O)[O-])c(N)c3)sc2c1 6284340 IFQSBIYNAHLTHD-UHFFFAOYSA-N 375.837 4.860 5 50 GJBA Cc1c(Cl)cccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 1206607 HYXNTIBXHXMBKV-UHFFFAOYSA-N 393.877 4.897 5 50 GJBA Cc1cc(Cl)cc(Cl)c1CNc1c([N+](=O)[O-])c(=O)oc2ccccc12 8683582 BBWQDSWOLYIUBL-UHFFFAOYSA-N 379.199 4.929 5 50 GJBA CC[C@H]1Cc2ccccc2CN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 444309347 DOIRZUNLXOLHGK-IBGZPJMESA-N 382.463 4.658 5 50 GJBA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 1125146 OECZZWFPXYGKIQ-UHFFFAOYSA-N 391.836 4.654 5 50 GJBA O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccc(Cl)cc1 1170390 XQOHBUKBCVFWEY-UHFFFAOYSA-N 394.770 4.841 5 50 GJBA O=C1S/C(=C/c2ccc(Cl)s2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 13546561 MROLPWJYASPVFT-KPKJPENVSA-N 380.834 4.546 5 50 GJBA O=[N+]([O-])c1ccccc1NCc1cccc(CNc2ccccc2[N+](=O)[O-])c1 4774769 OXIFTCOMIOROKM-UHFFFAOYSA-N 378.388 4.727 5 50 GJBA COc1ccc([C@@H]2CCCCCN2C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 170607376 BHKQGAZCPBLEKB-NRFANRHFSA-N 393.443 4.842 5 50 GJBA Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2)c(C)c1 1080997 POGYNMCMCOCISB-UHFFFAOYSA-N 389.411 4.716 5 50 GJBA CC(=O)c1ccc(OC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1144005 YOXPMGMTRRPJST-UHFFFAOYSA-N 377.352 4.809 5 50 GJBA O=C(O)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1Cc3ccccc3[C@H]21 1163575 NSBACPAXNQNGKI-HMXCVIKNSA-N 386.407 4.764 5 50 GJBA CCc1ccc(CC)c(S(=O)(=O)Nc2cccc3c([N+](=O)[O-])cccc23)c1 4980338 QVBHZNQSJPZWFS-UHFFFAOYSA-N 384.457 4.674 5 50 GJBA COc1cc(CN[C@H](Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC 19721051 GPNCSTLNRCRZCD-HXUWFJFHSA-N 392.455 4.686 5 50 GJBA C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)C(c1ccccc1)c1ccccc1)CCC2 252441288 NFYRNAJXDJGGCJ-ZEVJAHDQSA-N 378.536 4.771 5 50 GJBA biogenic O=C(Nc1ccc(Cl)c(C(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 1188627 KZJYZLCVIPEQIN-UHFFFAOYSA-N 380.787 4.732 5 50 GJBA O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1[N+](=O)[O-] 1114541 JTUCSLHLSJDJSQ-UHFFFAOYSA-N 377.784 4.763 5 50 GJBA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 1180736 LEGHMOADXJLRQE-UHFFFAOYSA-N 388.383 4.667 5 50 GJBA Cc1nn(-c2ccccc2)c(Cl)c1-c1cc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[nH]1 2750015 CEDQJKGRVDPUTP-UHFFFAOYSA-N 397.778 4.799 5 50 GJBA Cc1cccc(Oc2cc(NC(=O)c3ccccc3C(=O)O)cc([N+](=O)[O-])c2)c1 828318 BNNVOUBNJDUVIP-UHFFFAOYSA-N 392.367 4.646 5 50 GJBA O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc([N+](=O)[O-])o1 849441 NCDMXFKAZBHCOH-UHFFFAOYSA-N 383.747 4.902 5 50 GJBA CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 1219130 TVHTWJOJOGWUQE-FQEVSTJZSA-N 377.400 4.831 5 50 GJBA Cc1sc2nc3c4ccccc4c(NC4CCCCC4)nn3c(=O)c2c1C 944676 MJJXTLCGJUFLQC-UHFFFAOYSA-N 378.501 4.819 5 50 GJBA CCOc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 1209611 NAVRKNHWGPCBNN-UHFFFAOYSA-N 382.372 4.514 5 50 GJBA Cc1ccc(Nc2nc(Nc3ccc(C)cc3)c([N+](=O)[O-])c(N)c2[N+](=O)[O-])cc1 19638796 NCECSSUKBAUXFT-UHFFFAOYSA-N 394.391 4.584 5 50 GJBA C[C@@H]1[C@@H](N2C(=O)C3=C(CCCC3)[C@H]2Nc2ccc([N+](=O)[O-])cc2)CCC[C@H]1C 239203160 RVJZQWYATNDBQG-UFNANVBGSA-N 383.492 4.870 5 50 GJBA CCCc1cc(=O)oc2cc(C)cc(OCc3cc([N+](=O)[O-])ccc3OC)c12 1164278 DZKLELTXUSDUDJ-UHFFFAOYSA-N 383.400 4.550 5 50 GJBA O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](c1ccccc1)C1CCCC1 2859576 FIPBKSLODWXUMP-FQEVSTJZSA-N 388.851 4.675 5 50 GJBA O=C(Nc1cccc(Cl)c1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4983251 XYBPJJNRWAOEFZ-UHFFFAOYSA-N 380.231 4.754 5 50 GJBA O=C(NC(=S)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1[N+](=O)[O-] 4701298 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O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Oc2ccccc2Cl)cc1 1134760 HPEJKMIBHRGPSR-UHFFFAOYSA-N 394.770 4.841 5 50 GJBA C[N@+]12CCCC[C@@H]1[C@H](COC(=O)C(c1ccccc1)c1ccccc1)CCC2 252441287 NFYRNAJXDJGGCJ-PPJWLVRDSA-N 378.536 4.771 5 50 GJBA biogenic Cc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C(C)(C)C)c1 947365 MBIILERQYLWSCQ-UHFFFAOYSA-N 376.840 4.872 5 50 GJBA COc1ccc(C[C@@H](C)N[C@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)cc1 5032104 LXHZPHAZKBPJHO-SZNDQCEHSA-N 379.460 4.683 5 50 GJBA CCc1ccc(C(c2ccc(CC)o2)c2cc3c(cc2[N+](=O)[O-])OCCO3)o1 3847565 VOBUBLHSKPTXQQ-UHFFFAOYSA-N 383.400 4.857 5 50 GJBA biogenic Cc1cc(C)cc(Oc2cc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc([N+](=O)[O-])c2)c1 6399883 WAIJJNQONBNSJG-BGYRXZFFSA-N 394.427 4.684 5 50 GJBA COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1[N+](=O)[O-] 250453858 YKTUVHRAZRGOOS-MPJUTOBNSA-N 394.427 4.598 5 50 GJBA Cc1nnc(-c2ccc(Oc3ccc(Br)cc3)c([N+](=O)[O-])c2)o1 1167828 VHPGDRQAIWYHCE-UHFFFAOYSA-N 376.166 4.508 5 50 GJBA CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(OC)cc1 1185831 IQTXSAAFHZPRQZ-UHFFFAOYSA-N 397.456 4.932 5 50 GJBA CCc1ccccc1NC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 1127726 SFIYUNDGKVSNCR-UHFFFAOYSA-N 389.411 4.662 5 50 GJBA COc1cccc2c(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)c(C)cnc12 225696738 BULYKCRNPJNBAK-ZDUSSCGKSA-N 397.456 4.579 5 50 GJBA O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 2992015 ZCJMJLZCJLTYLV-UHFFFAOYSA-N 385.272 4.565 5 50 GJBA CN(C)c1ccc2c(SCCN3CCCC3)c3ccc(N(C)C)cc3nc2c1 71767290 RJFYEHSLDCVEFA-UHFFFAOYSA-N 394.588 4.708 5 50 GJBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(Br)cc2)o1 1185899 JYQRTDXQKIJUDT-UHFFFAOYSA-N 387.189 4.870 5 50 GJBA NC1=N[C@H](c2c3ccccc3cc3ccccc23)N(c2cccc(Cl)c2)C(N)=N1 96027069 SZMMTUVDHGWHAX-NRFANRHFSA-N 399.885 4.795 5 50 GJBA CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)ccc(O)c3c(=O)c2c1O 5854400 OJXQLGQIDIPMTE-UHFFFAOYSA-N 396.439 4.786 5 50 GJBA endogenous,in-man O=C(Oc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 888019 VHRMRISYMJIWMZ-UHFFFAOYSA-N 396.786 4.720 5 50 GJBA aggregator CC(=O)Nc1ccc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 12379699 HGQKKNGDFHYGGW-UHFFFAOYSA-N 393.355 4.921 5 50 GJBA O=C(O[C@@]12[C@H]3CC[C@@H](C3)[C@H]1[C@H]1C[C@H]2c2ccccc21)c1ccc([N+](=O)[O-])cc1 247346755 UTHHWEOJJWTUEP-ZMELFREYSA-N 375.424 4.821 5 50 GJBA O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c1 4306430 NGVFUOMJXADYRE-XLIONFOSSA-N 377.425 4.899 5 50 GJBA CC(C)Oc1ccc(C=O)cc1C[N+](C)(C)Cc1cc(C=O)ccc1OC(C)C 95221323 BTMXVKHKBBQYRQ-UHFFFAOYSA-N 398.523 4.663 5 50 GJBA O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@H]2C=Cc3ccccc3N12 101870231 QFIBSOSDWWBSFK-YCAMKHIRSA-N 396.446 4.583 5 50 GJBA CCOc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C)cc1 877721 RVFSKZMHFRAFCA-UHFFFAOYSA-N 383.429 4.678 5 50 GJBA O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(Cl)c1 1078784 HOHFWYBJPUYAGL-UHFFFAOYSA-N 390.770 4.998 5 50 GJBA O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4983414 WVHCTQNLYHUHOB-UHFFFAOYSA-N 387.439 4.699 5 50 GJBA O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 1095921 FTNSFKAFDNIENS-UHFFFAOYSA-N 389.436 4.586 5 50 GJBA aggregator CC[N+](C)(CC)CCS[C@H](COC(=O)Cc1ccccc1)c1ccccc1 2156496 VOFBDYAZQDMFNG-JOCHJYFZSA-N 386.581 4.733 5 50 GJBA Cc1cccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 4438550 XSMMFAHLWJGGDL-SDNWHVSQSA-N 383.407 4.773 5 50 GJBA Cc1ccc(-c2nn3c4cc(N5CCOCC5)ccc4nc3c3ccccc23)cc1 4622449 PLZLQRGTKNWZSU-UHFFFAOYSA-N 394.478 4.848 5 50 GJBA O=[N+]([O-])c1cccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)c1 5013923 VBDNJSZNSIFUAV-UHFFFAOYSA-N 384.439 4.737 5 50 GJBA Cc1ccc2c(c1)nc(-c1cccc([N+](=O)[O-])c1)n2Cc1cccc([N+](=O)[O-])c1 8464649 QPGFIRIHCXDTJM-UHFFFAOYSA-N 388.383 4.876 5 50 GJBA C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3[nH]2)c2ccccc21 2325862459 UYYRAEHXPGPOMT-SNVBAGLBSA-N 389.333 4.859 5 50 GJBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(-c2ccc(C)cc2)cc1 4039792 AVUVAXYWJLNVTQ-UHFFFAOYSA-N 392.411 4.596 5 50 GJBA O=c1nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c2scc(-c3ccccc3)c12 16393182 SPCYABNFVNRAPH-UHFFFAOYSA-N 395.465 4.852 5 50 GJBA CN(C(=O)c1cc2ccccc2c2cccnc12)c1ccc(Br)cn1 225512370 YJMNPFBHCKVZLD-UHFFFAOYSA-N 392.256 4.822 5 50 GJBA CC[N+](CC)(CC)CCCCCCC[N@@+](C)(CC)Cc1cc2ccccc2o1 239073295 GWXWXOABDQULOZ-AREMUKBSSA-N 388.640 6.226 5 50 GJBA CC(=O)c1ccc2cc(Oc3ncc(Br)cc3[N+](=O)[O-])ccc2c1 170666722 WMHQJLJLRRUUPH-UHFFFAOYSA-N 387.189 4.900 5 50 GJBA O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1 4312634 WQYDPNUSTYWUQI-JOCHJYFZSA-N 396.406 4.735 5 50 GJBA C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 1108315 YZJDSYDOPXQUAR-INIZCTEOSA-N 376.412 4.916 5 50 GJBA CCc1sc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)nc1-c1ccccc1 1130111 GEFNAKXVWPOEEE-UHFFFAOYSA-N 383.429 4.542 5 50 GJBA COc1ccc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cn1cccn1 170591541 WPGBHWHZIQRRHD-DLBZAZTESA-N 394.475 4.568 5 50 GJBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C)c1-c1ccccc1 937360 PDOKHJYGNCCMDK-UHFFFAOYSA-N 396.424 4.671 5 50 GJBA COc1ccc([C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 4419884 BGWYLHWVVVCQJA-OAQYLSRUSA-N 376.412 4.764 5 50 GJBA O=[N+]([O-])c1ccccc1Cn1cc(/C=C2\SC(=S)N=C2O)c2ccccc21 16192771 SZINGVFJMTTYDD-MFOYZWKCSA-N 395.465 4.927 5 50 GJBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(Br)ccc1Cl 1150823 GRXVBJUSVOBNOA-UHFFFAOYSA-N 390.020 4.916 5 50 GJBA COc1ccc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cn1cccn1 170591543 WPGBHWHZIQRRHD-IAGOWNOFSA-N 394.475 4.568 5 50 GJBA c1cc2c(cc1O[C@@H]1CCCCO1)nnc1cc(O[C@@H]3CCCCO3)ccc12 252551331 UCJCXWLJKXAHSH-FGZHOGPDSA-N 380.444 4.594 5 50 GJBA COc1ccc(C(=O)COc2ccc3c(oc(=O)c4ccccc43)c2C)cc1F 622127 SHCDELSNECNYEH-UHFFFAOYSA-N 392.382 4.664 5 50 GJBA COC(=O)c1sccc1NC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 3613348 MNMOXXBKLKQUPI-UHFFFAOYSA-N 396.833 4.563 5 50 GJBA CCn1ncc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccc([N+](=O)[O-])cc2)c1C 5674622 MOWKPMDNJOSCDA-NRFANRHFSA-N 393.422 4.614 5 50 GJBA CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 1175585 JYHVSBUEFIEXJI-UHFFFAOYSA-N 391.880 4.673 5 50 GJBA Cc1cc(OC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(C)cc1Br 2156143 VRGMIXLLTPVVPU-UHFFFAOYSA-N 379.210 4.893 5 50 GJBA O=[N+]([O-])c1ccc(/C=C/c2ccccc2)c(S(=O)(=O)Oc2ccccc2)c1 2270841 YIQJZVRKGSRPLF-VAWYXSNFSA-N 381.409 4.533 5 50 GJBA Cc1ccc(OCc2ccc(C(=O)Nc3cccc(C)c3C)o2)c([N+](=O)[O-])c1 2744854 VVCYJVUWTZGUAS-UHFFFAOYSA-N 380.400 4.944 5 50 GJBA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc([N+](=O)[O-])c1C 685839 QHYNTXIAMMOOOX-UHFFFAOYSA-N 396.424 4.671 5 50 GJBA CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 2836467 GEUZNVCKXNAIRH-UHFFFAOYSA-N 392.411 4.825 5 50 GJBA O=c1c2ccccc2c2nc3c(c(-c4ccccc4O)c12)c(=O)c1ccccc13 633886 PWPAAPVGCNMMQV-UHFFFAOYSA-N 375.383 4.663 5 50 GJBA Cc1ccc(C)c(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 1170797 XFSUUVRGOFXATI-UHFFFAOYSA-N 388.379 4.805 5 50 GJBA O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc([N+](=O)[O-])cc1Cl 1182874 ZJAZWWGTAPEYTP-UHFFFAOYSA-N 394.774 4.704 5 50 GJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 1640270 FIXVMMSSVDKOLA-UHFFFAOYSA-N 389.622 4.881 5 50 GJBA O=C(O)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1Cc3ccccc3[C@@H]21 4151469 NSBACPAXNQNGKI-HLAWJBBLSA-N 386.407 4.764 5 50 GJBA O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)o1 4980380 QJZXQDWYJNMYAR-UHFFFAOYSA-N 397.862 4.830 5 50 GJBA COc1ccc2nc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 2974291 SISZGZNYQGWHPH-UHFFFAOYSA-N 395.396 4.725 5 50 GJBA O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)c1 12276103 VBRLVOHIGOAWAO-RBBKRZOGSA-N 389.386 4.976 5 50 GJBA O=c1c2ccccc2nc(/C=C/c2ccc(F)cc2)n1-c1ccc([N+](=O)[O-])cc1 13598169 FTBRUWDIORSYGM-VGOFMYFVSA-N 387.370 4.603 5 50 GJBA COc1ccc(NC(=O)c2ccc(NCCc3ccccc3)c([N+](=O)[O-])c2)cc1 5065344 DFWMBZKYGJJJMZ-UHFFFAOYSA-N 391.427 4.510 5 50 GJBA O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cc([N+](=O)[O-])ccc1Cl 1220029 KFXSVNNMKGFMTL-UHFFFAOYSA-N 394.774 4.704 5 50 GJBA O=C(O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1Cc3ccccc3[C@@H]21 5063653 WLYDIAWGBKMKGM-QHAWAJNXSA-N 386.407 4.764 5 50 GJBA O=C(Nc1cccc(Br)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 2998836 LMZQVDSEEYOAQV-UHFFFAOYSA-N 387.189 4.870 5 50 GJBA Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 4993512 CRORSUOGJBUVNM-UHFFFAOYSA-N 396.468 4.607 5 50 GJBA Cc1ccc(C(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 1164361 LMMSLGSFZGHQQU-OAQYLSRUSA-N 375.380 4.684 5 50 GJBA CC[N+](C)(CC)CCS[C@@H](COC(=O)Cc1ccccc1)c1ccccc1 2156493 VOFBDYAZQDMFNG-QFIPXVFZSA-N 386.581 4.733 5 50 GJBA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)o1 238937422 VGDNVYIZLTYGJF-RXVVDRJESA-N 375.384 4.739 5 50 GJBA O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cccc([N+](=O)[O-])c1 2794016 IHQOKKWYLIAXOU-UHFFFAOYSA-N 391.355 4.572 5 50 GJBA Cc1ccc(C(=O)[C@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 1106164 NXAOREXTHOTCAF-HSZRJFAPSA-N 389.407 4.613 5 50 GJBA Cc1c(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 2990850 PNJZSUNFMFGGGN-UHFFFAOYSA-N 399.299 4.873 5 50 GJBA COc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 989818 DURUWHDKJQYGIN-UHFFFAOYSA-N 389.367 4.664 5 50 GJBA Cc1ccc(OCC(=O)n2nc(C)c(Sc3ccccc3[N+](=O)[O-])c2C)cc1 1135730 HQIIOJHVCICVBX-UHFFFAOYSA-N 397.456 4.587 5 50 GJBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(Cl)cc1Cl 5595943 CVVRGGBLJUIAHZ-UHFFFAOYSA-N 397.243 4.509 5 50 GJBA O=Cc1ccc(OC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1 1161288 PZQCVLGAIFSKIB-UHFFFAOYSA-N 379.393 4.778 5 50 GJBA O=[N+]([O-])c1ccccc1OCc1cccc(COc2ccccc2[N+](=O)[O-])c1 3468192 LCMLTUBFMBDZIG-UHFFFAOYSA-N 380.356 4.661 5 50 GJBA CCn1ncc([C@H]2CC(c3ccc(F)cc3)=NN2c2ccc([N+](=O)[O-])cc2)c1C 5674624 MOWKPMDNJOSCDA-OAQYLSRUSA-N 393.422 4.614 5 50 GJBA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1F 2309866 LUXBPHSERJOICQ-UHFFFAOYSA-N 387.194 4.838 5 50 GJBA CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 4628553 SHRMIDCGQRWGCR-JTQLQIEISA-N 399.230 4.706 5 50 GJBA O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 675592 IPWIWZBCXLHXKQ-UHFFFAOYSA-N 393.424 4.514 5 50 GJBA CCOC(=O)[C@H](Oc1ccc2c(oc(=O)c3ccccc32)c1C)c1ccccc1 622167 UAIHPIQVMGMISS-JOCHJYFZSA-N 388.419 4.938 5 50 GJBA O=C(O)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1Cc3ccccc3[C@@H]21 4151470 NSBACPAXNQNGKI-SESVDKBCSA-N 386.407 4.764 5 50 GJBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 4258306 VLQNMRKJZFXHOG-HNNXBMFYSA-N 392.411 4.676 5 50 GJBA CCCCCCC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 5250158 FRGXFVPWGRPRNC-AWEZNQCLSA-N 396.702 4.790 5 50 GJBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1Cc2ccccc2C2(CCC2)C1 1875256423 GYFNHEHTEJMHGK-UHFFFAOYSA-N 394.474 4.759 5 50 GJBA Cc1ccc(C(=O)[C@@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 1106165 NXAOREXTHOTCAF-QHCPKHFHSA-N 389.407 4.613 5 50 GJBA COc1ccccc1Oc1cc([N+](=O)[O-])cc2c1C(=O)Nc1ccccc1O2 1446238 WKTONCUESLKLBS-UHFFFAOYSA-N 378.340 4.754 5 50 GJBA biogenic COc1ccc(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c2ccccc12 4846143 SXVNIASDVNEJMX-UHFFFAOYSA-N 390.439 4.978 5 50 GJBA Cc1cccc(-n2c(/C=C\c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 32629555 BFHCXISIVRUOEF-SEYXRHQNSA-N 383.407 4.773 5 50 GJBA O=[N+]([O-])c1ccc(C(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1 66139588 GFDFIMKBMBRKCK-UHFFFAOYSA-N 379.328 4.591 5 50 GJBA biogenic O=C(Nc1ccc(F)cc1)c1sccc1Oc1ccc([N+](=O)[O-])cc1F 3128263 OJXRUCLBEJTYFM-UHFFFAOYSA-N 376.340 4.979 5 50 GJBA COc1ccccc1Oc1cc(NC(=O)c2cccc(C)c2)cc([N+](=O)[O-])c1 2800070 YZSJSIMOQMZXRX-UHFFFAOYSA-N 378.384 4.956 5 50 GJBA O=c1[nH]cnc2nc3c(cc12)c1ccccc1n3-c1c(Cl)cccc1Cl 5706313 IJFVJOBGCPIYOY-UHFFFAOYSA-N 381.222 4.722 5 50 GJBA CC(=O)N(C)c1cc([N+](=O)[O-])cc2c1C=Cc1cc(Br)ccc1O2 1428669 XBDDDEPFGBZNEO-UHFFFAOYSA-N 389.205 4.616 5 50 GJBA O=C(O)CCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12 4521714 YPOHVKMXKUSZRL-UHFFFAOYSA-N 378.429 4.529 5 50 GJBA O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccc([N+](=O)[O-])c1 725968 ADQDEMXQPOGVGX-UHFFFAOYSA-N 377.331 4.794 5 50 GJBA CCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)s1 2502165 GZSIEXCQEDGKAN-UHFFFAOYSA-N 389.462 4.575 5 50 GJBA O=[N+]([O-])c1ccc(OCc2ccccc2F)c(/C=C2/SC(=S)N=C2O)c1 1181363 FOWOANYXCPUXGM-OVCLIPMQSA-N 390.417 4.642 5 50 GJBA CCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1[N+](=O)[O-] 2982294 VOQIZFGQGLFYCD-UHFFFAOYSA-N 377.400 4.989 5 50 GJBA COc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)cc1Cl 1145912 BJFUVBWIAYNDQT-GQCTYLIASA-N 397.214 4.571 5 50 GJBA CCN(CC)c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 1219317 WGHFJWAKYITREM-UHFFFAOYSA-N 379.416 4.953 5 50 GJBA CN(C(=O)c1cc2ccccc2c2cccnc12)[C@H]1CCN(Cc2ccccc2)C1 475323180 XBHZMKCABKPCFM-NRFANRHFSA-N 395.506 4.735 5 50 GJBA CCn1c2ccccc2c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 5249424 WARBMHWTLNUKHO-UHFFFAOYSA-N 395.440 4.523 5 50 GJBA O=C(O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]23)cc1 16212525 JRYACCVUEMOIIT-NNWRFLSQSA-N 386.407 4.764 5 50 GJBA CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 2836644 IYSZLTVKUCAZRD-UHFFFAOYSA-N 375.812 4.548 5 50 GJBA CCCCn1c2nc3ccccc3nc2c2c(=O)n([C@@H](C)c3ccccc3)cnc21 4866963 PQSGSNWOKHDZSY-INIZCTEOSA-N 397.482 4.704 5 50 GJBA Cc1ccc(C)c(OCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1C 957924 NAPOEUQNKZJDCS-UHFFFAOYSA-N 397.456 4.661 5 50 GJBA O=C(COc1cc(O)c2c(=O)c3ccccc3oc2c1)c1ccc(Cl)cc1 4084020 QVLVJXZPEDCHRF-UHFFFAOYSA-N 380.783 4.567 5 50 GJBA biogenic O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N1CCCCC1 1126751 CYCCWPXCZGZFSN-PKNBQFBNSA-N 385.851 4.890 5 50 GJBA O=C(Nc1ccc(-c2nc3cccnc3o2)cc1)c1ccc([N+](=O)[O-])cc1Cl 1216068 TUSIQKLXWGHSCX-UHFFFAOYSA-N 394.774 4.704 5 50 GJBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2-c2ccccc2)c([N+](=O)[O-])c1 104238143 GRGSMPGWYSXKSE-UHFFFAOYSA-N 380.316 4.822 5 50 GJBA C[C@H]1Oc2ccccc2C=C1c1c2cnn(C)c2nc2c1oc1cc(O)cc(O)c12 409415345 BOJJKIYDOFCFNL-LLVKDONJSA-N 399.406 4.600 5 50 GJBA biogenic O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2ccccc2)cc1 1106168 QABYOKQIBAGUHD-UHFFFAOYSA-N 395.798 4.955 5 50 GJBA CN(C(=O)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1)C1CCCCC1 5051326 DIBSEAOLSMFZMY-UHFFFAOYSA-N 381.476 4.654 5 50 GJBA COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1[N+](=O)[O-] 250453852 YKTUVHRAZRGOOS-GPQGAXSRSA-N 394.427 4.598 5 50 GJBA O=[N+]([O-])c1ccc2nc(CCc3nc4ccc([N+](=O)[O-])cc4s3)sc2c1 2370753 CCPDPNJXVFYZGE-UHFFFAOYSA-N 386.414 4.508 5 50 GJBA Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c(C(F)(F)F)cc(=O)oc12 2983132 DRTXOAMFQOIINE-UHFFFAOYSA-N 379.290 4.607 5 50 GJBA CC[C@@H](C)c1ccc(OCc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cn3)o2)cc1 5610883 DOFYJKBSZQGAMJ-CQSZACIVSA-N 395.415 4.928 5 50 GJBA C[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c([N+](=O)[O-])cc(Cl)nc21 214486541 XHUJDCUEPMDAEO-UHFFFAOYSA-N 395.841 4.929 5 50 GJBA O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc([N+](=O)[O-])cc1Cl 1217005 JJYXUMVWQOZYGZ-UHFFFAOYSA-N 394.774 4.704 5 50 GJBA CCOC(=O)c1sc2cc([N+](=O)[O-])cc(SCc3ccccc3)c2c1N 652380 IVFOQICEKCFPFR-UHFFFAOYSA-N 388.470 4.861 5 50 GJBA C/C=C1\CC(C)(C)C[C@H]2C[C@@]2(C)[C@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71786231 XXFAOJHAKYKGCP-DHGDTKEHSA-N 388.420 4.821 5 50 GJBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H](Cc1ccccc1)c1ccccc1 1741737 PBGMZIJWHQNIQD-IBGZPJMESA-N 379.391 4.839 5 50 GJBA O=c1cc(-c2ccccc2)cc(-c2ccccc2)n1OCc1ccc([N+](=O)[O-])cc1 5490842 VNLUHAWWJKZZNT-UHFFFAOYSA-N 398.418 4.719 5 50 GJBA C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1nc(-c2ccc(Cl)cc2)no1 225648271 CDKLSJBAMMNAPO-QMMMGPOBSA-N 380.738 4.750 5 50 GJBA Cc1cccc(C(=O)Nc2cccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)c1 1115622 JHSQAMSWLCSOTD-UHFFFAOYSA-N 390.395 4.513 5 50 GJBA CC(=O)c1ccc(-c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1 43191279 CGGLMNUQBLNXKF-UHFFFAOYSA-N 375.380 4.992 5 50 GJBA Cc1cc(C(=O)NCCNc2c(Cl)cccc2[N+](=O)[O-])c(-c2ccccc2)o1 5059614 PHAYYRLDHGNXGD-UHFFFAOYSA-N 399.834 4.659 5 50 GJBA Cc1ccccc1-c1nnc(C)n1-c1ccc(Oc2ncccc2[N+](=O)[O-])cc1 155020463 VBFJOIRVQBJHKI-UHFFFAOYSA-N 387.399 4.647 5 50 GJBA NC(=O)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccco3)c2)cc1 216430123 GTTDVYCKFQYVNN-UHFFFAOYSA-N 385.379 4.683 5 50 GJBA in-vitro CCC(=O)C[C@@H](Sc1cc(=O)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 753755 LCIJRKSJIDFQDC-GOSISDBHSA-N 383.425 4.904 5 50 GJBA C[C@H](CSc1c2ccc(N(C)C)cc2nc2cc(N(C)C)ccc12)CN(C)C 71767299 QKXWCCANUOWYTB-INIZCTEOSA-N 396.604 4.810 5 50 GJBA O=[N+]([O-])c1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 684438 WOVOPMKCIDWQHD-FXAWDEMLSA-N 377.425 4.899 5 50 GJBA O=C(O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1Cc3ccccc3[C@H]21 5063659 WLYDIAWGBKMKGM-PWRODBHTSA-N 386.407 4.764 5 50 GJBA COc1ccc([N+](=O)[O-])cc1COc1ccc2c(oc(=O)c3ccccc32)c1C 1152339 GOSFEFCAJZSEEX-UHFFFAOYSA-N 391.379 4.750 5 50 GJBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccccc1Cc1ccccc1 5041537 RYAIHGKKLKHBOD-UHFFFAOYSA-N 377.400 4.838 5 50 GJBA O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccc([N+](=O)[O-])cc1Cl 1132437 HTYLFKDOHVRXPX-UHFFFAOYSA-N 392.802 4.815 5 50 GJBA Cc1ccc2c(c1)Oc1ccc([N+](=O)[O-])cc1C(=O)N2Cc1ccc(F)cc1 4107919 JESVBKAQVHDCAG-UHFFFAOYSA-N 378.359 4.995 5 50 GJBA COc1cccc2c(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)c(C)cnc12 225696768 BULYKCRNPJNBAK-CYBMUJFWSA-N 397.456 4.579 5 50 GJBA Cc1ccc(C2=N/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C(=O)O2)cc1 1167389 LRAOGORBYJVHJE-LDADJPATSA-N 388.379 4.816 5 50 GJBA O=[N+]([O-])c1ccc2nc(N[C@H]3CCC[C@@H](c4ccc(F)c(F)c4)C3)cnc2c1 2325862578 ZQTGMXMEQXSVFS-OCCSQVGLSA-N 384.386 4.955 5 50 GJBA CCOc1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)c([N+](=O)[O-])c1 4652539 LTKRINJHTZOZJN-UHFFFAOYSA-N 392.839 4.753 5 50 GJBA O=C1c2cccc(Oc3ccc(Cl)cc3)c2C(=O)N1c1ccc([N+](=O)[O-])cc1 4803646 QEJOBMZBVKCDDZ-UHFFFAOYSA-N 394.770 4.841 5 50 GJBA O=C(Nc1cccc2ccccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4810493 UJYWKHVKUNAENH-UHFFFAOYSA-N 375.428 4.991 5 50 GJBA Cc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] 1208965 XOWRJLQIBBPUPW-UHFFFAOYSA-N 389.367 4.669 5 50 GJBA O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1 1197129 HBHUACMPIHVSNT-UHFFFAOYSA-N 393.365 4.856 5 50 GJBA O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 55544096 JTZQGQYMLDCJBT-UHFFFAOYSA-N 399.800 4.589 5 50 GJBA O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 1218741 YZKCTWUHZRSQHH-UHFFFAOYSA-N 378.228 4.885 5 50 GJBA CC[C@@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1133182 LIRKKIJSKVLONE-GCZGRYASSA-N 383.473 4.635 5 50 GJBA COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c2ccccc12 4846146 BHYIWECDMXQIIX-UHFFFAOYSA-N 390.439 4.978 5 50 GJBA O=C(O)c1ccc(N[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 1111993 DRBWUGJJKRTKMJ-FQEVSTJZSA-N 390.395 4.719 5 50 GJBA O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 1192890 SXKYFPNTDIDNLZ-WJDWOHSUSA-N 394.770 4.853 5 50 GJBA O=[N+]([O-])c1ccc(Oc2cccc3cccnc23)c(I)c1 1216395 IJTYLRFVONQGLM-UHFFFAOYSA-N 392.152 4.540 5 50 GJBA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Br 4040790 HSYBGVNLZDNYMP-FPYGCLRLSA-N 381.613 4.663 5 50 GJBA O=[N+]([O-])c1cccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)c1 2311535 ZFZMBUWPMRUQRX-UHFFFAOYSA-N 378.413 4.728 5 50 GJBA Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1C 1119815 NHWVMYCUSMHGHZ-QFIPXVFZSA-N 389.407 4.993 5 50 GJBA O=C(O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]23)cc1 101697052 JRYACCVUEMOIIT-FCEUIQTBSA-N 386.407 4.764 5 50 GJBA O=c1c2c(-c3cccc([N+](=O)[O-])c3)csc2ncn1Cc1cccc(Cl)c1 951905 GLMXDIMULYWPAF-UHFFFAOYSA-N 397.843 4.735 5 50 GJBA O=C(Nc1ccccc1F)c1sccc1Oc1ccc([N+](=O)[O-])cc1F 3128267 RRZMTUPNCDWJNT-UHFFFAOYSA-N 376.340 4.979 5 50 GJBA CCCn1c2ccccc2c2nnc(SCc3ccc([N+](=O)[O-])cc3)nc21 1132372 QMCLNUCLCXPFEE-UHFFFAOYSA-N 379.445 4.590 5 50 GJBA O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1 830068 HPKIDKYRHQYHCT-UHFFFAOYSA-N 391.408 4.829 5 50 GJBA Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 4573151 RHABBXRPWCSIIE-INIZCTEOSA-N 396.468 4.610 5 50 GJBA O=C(O[C@H]1C=CC23CCCCC12CCCC3)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 45071279 WUORKMIEGGYXQL-KKXNLOMOSA-N 386.404 4.719 5 50 GJBA Cc1ccccc1NS(=O)(=O)c1ccc2oc3cc([N+](=O)[O-])ccc3c2c1 4606545 JODSCXMABJZSPU-UHFFFAOYSA-N 382.397 4.603 5 50 GJBA O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc([N+](=O)[O-])cc1Cl 10321890 DHNDQXHNBXFYGY-UHFFFAOYSA-N 392.802 4.815 5 50 GJBA COc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1[N+](=O)[O-] 1053032 LFHNEWKGLRLZFI-UHFFFAOYSA-N 375.595 4.816 5 50 GJBA C/C=C/c1ccc(OCCOC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 1753795 DBPOGAYVSIXKFL-SNAWJCMRSA-N 386.404 4.572 5 50 GJBA Cc1ccc(Nc2c(C=O)cnc3ccc(Br)cc23)cc1[N+](=O)[O-] 214489457 JXNDRJOKVJEQMU-UHFFFAOYSA-N 386.205 4.770 5 50 GJBA CCc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3o2)cc1 1209892 ODVREANKOMGDFH-UHFFFAOYSA-N 377.356 4.811 5 50 GJBA CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc([N+](=O)[O-])cc3)n2)s1 4661290 HJUOMYBKCXFMJR-UHFFFAOYSA-N 389.462 4.575 5 50 GJBA COc1cc(NC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(OC)cc1Cl 4771222 PBNZJFGVLUOTTP-UHFFFAOYSA-N 386.191 4.563 5 50 GJBA O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@H]2C=Cc3ccccc3N12 229884396 QFIBSOSDWWBSFK-LWSSLDFYSA-N 396.446 4.583 5 50 GJBA O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1cccc(C(F)(F)F)c1 692398 XRGCUUBPEHJSEW-UHFFFAOYSA-N 386.285 4.567 5 50 GJBA CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2ccccc12 656834 DZTOEXLDSKSTKV-ZHACJKMWSA-N 396.424 4.638 5 50 GJBA O=[N+]([O-])c1ccc(-c2nc3sc(-c4ccc([N+](=O)[O-])cc4)nc3s2)cc1 2570712 IFFBTALRGFYPAN-UHFFFAOYSA-N 384.398 4.903 5 50 GJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1-c1ccccc1C(=O)O 5102852 FYTQTZXYKXICOQ-UHFFFAOYSA-N 376.368 4.521 5 50 GJBA CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 4740448 OXSTVHDAJFXRHR-UHFFFAOYSA-N 389.839 4.875 5 50 GJBA Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1C 1118754 RHZWFWFYHVXGMJ-JOCHJYFZSA-N 389.407 4.993 5 50 GJBA O=c1oc2cc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)cc2c2c1CCCC2 651389 WPJXGBQBIBBJGN-UHFFFAOYSA-N 385.803 4.812 5 50 GJBA O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 13382001 VKUYYBVHGDJQDM-RBBKRZOGSA-N 389.386 4.976 5 50 GJBA c1ccc2nc3c(nc2c1)c1nc2ccccc2nc1c1nc2ccccc2nc31 118421277 JWBHNEZMQMERHA-UHFFFAOYSA-N 384.402 4.976 5 50 GJBA O=[N+]([O-])c1cccnc1Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 1395070 BWNJAGVIXDXVNI-UHFFFAOYSA-N 387.424 4.660 5 50 GJBA O=C(CCSc1c(Cl)cccc1[N+](=O)[O-])Nc1cccc2ncccc12 2850720 VGJAYQMJPKTKJN-UHFFFAOYSA-N 387.848 4.917 5 50 GJBA CC[C@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1133185 LIRKKIJSKVLONE-GETOMWPZSA-N 383.473 4.635 5 50 GJBA CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(OC)cc1 877671 AYDQSVDURFJDNU-UHFFFAOYSA-N 397.456 4.932 5 50 GJBA COc1cc(/C=C/C(=O)Nc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC 1000131 IFRDCDVNICRSBM-IZZDOVSWSA-N 384.432 4.561 5 50 GJBA COc1cc2c(cc1NC(=O)Cc1ccccc1[N+](=O)[O-])oc1ccccc12 4699511 YEEUOUKUURBHOK-UHFFFAOYSA-N 376.368 4.684 5 50 GJBA O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N12 4188792 QFIBSOSDWWBSFK-KIHHCIJBSA-N 396.446 4.583 5 50 GJBA O=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 5060549 LPNXFROJIWKCKO-UHFFFAOYSA-N 375.428 4.939 5 50 GJBA O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 1164564 YOKNFNOBKUUSQY-UHFFFAOYSA-N 388.590 4.595 5 50 GJBA COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1[N+](=O)[O-] 250453867 YKTUVHRAZRGOOS-YYCIOMMLSA-N 394.427 4.598 5 50 GJBA CCCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 2969289 JHUCAWZLBHNNMP-UHFFFAOYSA-N 394.383 4.674 5 50 GJBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1Sc1ccccc1 2856765 AUTGBCOZFWGOTA-UHFFFAOYSA-N 386.454 4.547 5 50 GJBA O=[N+]([O-])c1ccc([C@@H]2O[C@H](c3ccccc3)N3[C@H](c4ccccc4)OC[C@H]23)cc1 257355389 ALINGUIZUVHCAX-WZYRSQIMSA-N 388.423 4.765 5 50 GJBA O=C(O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1Cc3ccccc3[C@H]21 5063657 WLYDIAWGBKMKGM-NJDAHSKKSA-N 386.407 4.764 5 50 GJBA CC1(C)C(=O)O[C@@H](c2cccn2-c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1=O 1121800 QZDPHUITRFSMAL-SFHVURJKSA-N 396.443 4.529 5 50 GJBA O=[N+]([O-])c1ccc([C@@H]2O[C@H](c3ccccc3)N3[C@H]2CO[C@@H]3c2ccccc2)cc1 71766968 ALINGUIZUVHCAX-MYDTUXCISA-N 388.423 4.765 5 50 GJBA O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 1183530 LEWZKKYPFNKQRH-UHFFFAOYSA-N 395.415 4.528 5 50 GJBA O=c1[nH]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc3c(c12)CCCC3 1199045 ZYKANEFDSJERBC-UHFFFAOYSA-N 393.424 4.699 5 50 GJBA O=C(OCC12C3c4ccccc4[C@H]1[C@@H]2c1ccccc13)c1ccc([N+](=O)[O-])cc1 105026590 PUCXQQXPKBPWFS-BPBCLYCFSA-N 383.403 4.778 5 50 GJBA C[N@+]12CCCC[C@H]1[C@@H](COC(=O)C13C[C@H]4C[C@@H](CC(Cl)(C4)C1)C3)CCC2 252461041 KBOAUZXZOYOMEX-OHMWDSITSA-N 380.980 4.517 5 50 GJBA biogenic O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 1226962 IAAXHZKFFVTTCQ-UHFFFAOYSA-N 389.127 4.628 5 50 GJBA CSc1ccccc1NC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 1002092 VTTWSJSEVZLQGC-UHFFFAOYSA-N 384.413 4.741 5 50 GJBA Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 834559 HQFQPZKDTIXBSA-UHFFFAOYSA-N 393.877 4.897 5 50 GJBA COc1cccc(Oc2cc([N+](=O)[O-])cc3c2C(=O)Nc2ccccc2O3)c1 1097335 NWNQHEUXJGTSJD-UHFFFAOYSA-N 378.340 4.754 5 50 GJBA biogenic O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)c1 12276105 VBRLVOHIGOAWAO-IFMALSPDSA-N 389.386 4.976 5 50 GJBA COc1ccc(CSc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 170639384 YUSOPWUDVIMTPS-UHFFFAOYSA-N 383.351 4.791 5 50 GJBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)c(Cl)cc1Cl 1149865 MMSLEIWCCRZNHY-UHFFFAOYSA-N 375.595 4.573 5 50 GJBA O=C(Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1)c1ccc([N+](=O)[O-])cc1 670432 KREHXSIQAZCLRC-UHFFFAOYSA-N 395.802 4.753 5 50 GJBA CCC(CC)c1nnc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 173732907 ZODPXRHEIGKICY-UHFFFAOYSA-N 388.371 4.621 5 50 GJBA C[N@+]12CCCC[C@@H]1[C@H](COC(=O)C13C[C@H]4C[C@@H](CC(Cl)(C4)C1)C3)CCC2 252441202 KBOAUZXZOYOMEX-VLPRNSGYSA-N 380.980 4.517 5 50 GJBA CC(C)(C)C(=O)Nc1ccc2oc3ccc(NC(=O)C(C)(C)C)cc3c(=O)c2c1 4134595 PCPAHCABSOHVME-UHFFFAOYSA-N 394.471 4.915 5 50 GJBA O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 4798126 XQGGSFHJTIDALM-UHFFFAOYSA-N 394.774 4.704 5 50 GJBA COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 13330015 FRQRYOVYWVLTKA-VIFPVBQESA-N 384.219 4.793 5 50 GJBA O=C(OC[C@]12[C@H]3c4ccccc4[C@@H]1[C@@H]2c1ccccc13)c1ccc([N+](=O)[O-])cc1 257357765 PUCXQQXPKBPWFS-GROAZDSFSA-N 383.403 4.778 5 50 GJBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 1021186 XMFZDCARMVTANF-UHFFFAOYSA-N 394.770 4.841 5 50 GJBA Nc1ccc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 2561472 CUTTXOVUXHQJIE-UHFFFAOYSA-N 377.662 4.550 5 50 GJBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc(C)c1CC 1117352 FJGDDMZLGONDHT-UHFFFAOYSA-N 396.852 4.610 5 50 GJBA CCCCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 2826967 UAVNYNWOQRYWDN-UHFFFAOYSA-N 375.812 4.629 5 50 GJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2cc3ccccc3cc2[nH]1 5028294 ZIOTXVLFWFWCCM-UHFFFAOYSA-N 392.440 4.664 5 50 GJBA O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)c1 5091089 VBRLVOHIGOAWAO-UNMCSNQZSA-N 389.386 4.976 5 50 GJBA COc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 1156798 PTBKJLWUWDKBCJ-UHFFFAOYSA-N 389.367 4.664 5 50 GJBA Cc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 2986526 LGHIGXSDYCXFPE-UHFFFAOYSA-N 399.299 4.873 5 50 GJBA CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3cccc([N+](=O)[O-])c3)c12 2853642 LTOASCQNRZOZGE-UHFFFAOYSA-N 395.411 4.614 5 50 GJBA Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 1116146 XVJKVXHCZUWDSI-UHFFFAOYSA-N 390.395 4.513 5 50 GJBA Cc1cccc([N+](=O)[O-])c1NC(=O)COc1c(Cl)cc(Cl)cc1Cl 4542120 NCJIICNNULVUSH-UHFFFAOYSA-N 389.622 4.881 5 50 GJBA O=[N+]([O-])c1cccc(C(c2cccc([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)c1 2576956 YETXOTPYXAYEMI-UHFFFAOYSA-N 394.227 4.914 5 50 GJBA O=C(Nc1nnc(SC/C=C/c2ccccc2)s1)c1ccccc1[N+](=O)[O-] 2870441 PDPSYOADINPXJK-RMKNXTFCSA-N 398.469 4.504 5 50 GJBA CC[C@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 4457103 HVBVBFGKIGZYOH-SEJMYLSOSA-N 399.428 4.617 5 50 GJBA Cc1ccc(-c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c(C)c2)cc1 1838538 AYGYBDJWUCNSGG-UHFFFAOYSA-N 383.425 4.646 5 50 GJBA Cc1ccc(-c2csc(-n3nc(-c4ccc([N+](=O)[O-])cc4)cc3O)n2)cc1 100579524 WCNLOQSRJHUSGH-UHFFFAOYSA-N 378.413 4.585 5 50 GJBA O=[N+]([O-])c1ccc(-c2cs/c(=N\Cc3cccnc3)n2-c2ccccc2)cc1 1036677 QTIXYONECYLFAO-LNVKXUELSA-N 388.452 4.610 5 50 GJBA Cc1ccccc1NCc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 1136371 BNCBMRSVRRDIOI-UHFFFAOYSA-N 376.412 4.872 5 50 GJBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@@H]1c1ccc2c3c(cccc13)CC2 2873356 DIRZDYWWPRMLKK-JOCHJYFZSA-N 390.464 4.734 5 50 GJBA CC1(C)CC(=O)c2c(nc3c(c2-c2cccc([N+](=O)[O-])c2)C(=O)CC(C)(C)C3)C1 947111 KDJQXIBPCBCZEQ-UHFFFAOYSA-N 392.455 4.967 5 50 GJBA O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 1166194 GWHDITZRBZIRJT-UHFFFAOYSA-N 380.231 4.754 5 50 GJBA Cn1c(Sc2ccc(Br)cc2)c(C=O)c2cc([N+](=O)[O-])ccc21 2243951 BSURXPZEBXKKKZ-UHFFFAOYSA-N 391.246 4.813 5 50 GJBA O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cs/c2=N\Cc2cccnc2)cc1 101137351 CIGCOODNJYRLON-LNVKXUELSA-N 388.452 4.610 5 50 GJBA Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 959529 RBGXQOOQQXGKJR-UHFFFAOYSA-N 375.380 4.662 5 50 GJBA O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cc(Br)ccc1Cl 225747358 AMZYOJLACINXHH-UHFFFAOYSA-N 390.020 4.916 5 50 GJBA Cc1ccc(C(=O)[C@@H](OC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1C 1121706 GYISSCMJHJBLFH-QFIPXVFZSA-N 389.407 4.993 5 50 GJBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccccc1Sc1ccccc1 13961295 CJNBVFYTTSUXCE-UHFFFAOYSA-N 376.393 4.547 5 50 GJBA Cc1ccc(C2=N/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)O2)cc1 1167951 GQAACIIJAWRKHW-XDHOZWIPSA-N 388.379 4.816 5 50 GJBA CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 1219131 TVHTWJOJOGWUQE-HXUWFJFHSA-N 377.400 4.831 5 50 GJBA CCCC[N+](CCCC)(CCCC)C[C@@H](O)Cn1c(=O)sc2ccccc21 5591152 VBCXTZQSLLWYCD-IBGZPJMESA-N 393.617 4.641 5 50 GJBA O=[N+]([O-])c1cccc(-c2noc(CCCOc3ccc(Cl)cc3Cl)n2)c1 2269288 GPNZHUSTDKBUBK-UHFFFAOYSA-N 394.214 4.963 5 50 GJBA O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 2962738 KLYFUEHBYIWYPX-UHFFFAOYSA-N 393.585 4.712 5 50 GJBA CCC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)C[C@@H](C(C)(C)C)CC2 718039 PNBFDRXVESIXDA-ZDUSSCGKSA-N 378.472 4.841 5 50 GJBA O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NC1CCCCC1 2869153 VAGHVIZUMGSISH-UHFFFAOYSA-N 390.512 4.577 5 50 GJBA COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1[N+](=O)[O-] 1226956 MISMNUMEXQMWGT-UHFFFAOYSA-N 389.367 4.664 5 50 GJBA COc1cccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)c1 826462 DGSNMSZPPTXXKH-UHFFFAOYSA-N 389.367 4.664 5 50 GJBA COc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 847939 KFAMMLLCPWDLRY-UHFFFAOYSA-N 380.375 4.590 5 50 GJBA Cc1ccc(-c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2)cc1 2923934 DHYDPWBZYIWQST-UHFFFAOYSA-N 383.425 4.646 5 50 GJBA O=c1c([N+](=O)[O-])c(NCCc2ccccc2)c2ccccc2n1-c1ccccc1 4264091 OLCQVHXTPRQOAQ-UHFFFAOYSA-N 385.423 4.554 5 50 GJBA O=C1c2ccccc2C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 828645 MLFHMOWTIUZJQU-UHFFFAOYSA-N 376.393 4.547 5 50 GJBA CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1129177 LFGMEKHKRBTDMG-NSHDSACASA-N 391.880 4.889 5 50 GJBA CCN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccccc1 5064184 WKSHGTFNVAQFRH-UHFFFAOYSA-N 375.428 4.874 5 50 GJBA O=[N+]([O-])c1cccc(Cl)c1NCCNc1ncc(C(F)(F)F)cc1Cl 20218576 YVPUHCJLDDRJSF-UHFFFAOYSA-N 395.168 4.839 5 50 GJBA CCc1sc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 1133037 NMRSQPCMMNOZMX-JLHYYAGUSA-N 379.441 4.933 5 50 GJBA COc1ccc2oc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)nc2c1 5028009 MIDNHQUBYMGRID-UHFFFAOYSA-N 389.367 4.664 5 50 GJBA Cc1cccc(NC(=O)c2ccc(NCCc3ccccc3)c([N+](=O)[O-])c2)c1 4668170 GNTFHAORBUKXNR-UHFFFAOYSA-N 375.428 4.810 5 50 GJBA O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccc([N+](=O)[O-])cc1 1210311 RUDNTIDFJYRXKP-UHFFFAOYSA-N 395.802 4.753 5 50 GJBA O=C(Nc1ccc(OC(F)(F)C(F)F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 1211124 KGESGYBRRPZYNA-UHFFFAOYSA-N 392.692 4.737 5 50 GJBA Cc1ccc(NC(=O)OCCOc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 1753785 MVQSWYQZCOHZSC-UHFFFAOYSA-N 385.203 4.838 5 50 GJBA C[C@H](C(=O)OCc1ccc(Oc2cccnc2)cc1)c1cccc([N+](=O)[O-])c1 2325746764 MCYAQGFXZFPDPY-HNNXBMFYSA-N 378.384 4.629 5 50 GJBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 4724320 YOEJUSKPFQESLL-UHFFFAOYSA-N 384.395 4.700 5 50 GJBA O=[N+]([O-])c1cccc2c(NS(=O)(=O)c3ccc4ccccc4c3)cccc12 4980337 VZUQGDCUDVACOH-UHFFFAOYSA-N 378.409 4.702 5 50 GJBA CC(C)c1ccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1 5063640 PSMUZLSGTGZKBM-UHFFFAOYSA-N 398.488 4.718 5 50 GJBA Cc1ccc(-c2cccnc2)cc1NC(=O)N(C)Cc1ccc([N+](=O)[O-])cc1 2325746661 DCROWKZGEVBUJM-UHFFFAOYSA-N 376.416 4.629 5 50 GJBA CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 2762911 QSLDBGWARQNDAT-UHFFFAOYSA-N 376.434 4.517 5 50 GJBA Cc1nn(C(=O)/C=C/c2ccccc2)c(C)c1Sc1ccccc1[N+](=O)[O-] 5093500 SXNLFDIOMGHEBU-OUKQBFOZSA-N 379.441 4.913 5 50 GJBA C[C@@H](Oc1ccc(Br)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 2850307 PSOICOVJLQOFAJ-SNVBAGLBSA-N 390.193 4.547 5 50 GJBA O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 2817053 WCVKPNWPABYJGC-UHFFFAOYSA-N 385.272 4.565 5 50 GJBA O=[N+]([O-])c1cc(Sc2ccc(Cl)cc2)c2c(C3OCCO3)noc2c1 1097259 SOWZFFWDDFMNRD-UHFFFAOYSA-N 378.793 4.586 5 50 GJBA CCc1cc(=O)oc2cc(OCc3cc([N+](=O)[O-])ccc3OC)c(Cl)cc12 1167221 XJKDJOPDRBAJIK-UHFFFAOYSA-N 389.791 4.505 5 50 GJBA O=[N+]([O-])c1cc([N+](=O)[O-])c(NN(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 11027059 WCBPJVKVIMMEQC-UHFFFAOYSA-N 395.331 4.576 5 50 GJBA in-vitro C[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(C)(C)c1ccccc1 253418787 ZREHBFBITIRHKH-MRXNPFEDSA-N 389.455 4.753 5 50 GJBA CCOc1ccccc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 937391 KPJDSHGHFSAKNV-UHFFFAOYSA-N 383.429 4.678 5 50 GJBA O=C(NCCSCc1cccc(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 2994749 HCCVZQOLITVAMH-UHFFFAOYSA-N 385.272 4.565 5 50 GJBA COc1cc2ccccc2cc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 1508991 RABUNYMERNGYNH-UHFFFAOYSA-N 379.397 4.619 5 50 GJBA CCOC(=O)[C@@H](C)Oc1cccc2c1ccc1c(-c3ccccc3)cc(=O)oc12 634524 RYGOROHIBADPDE-OAHLLOKOSA-N 388.419 4.944 5 50 GJBA CCc1ccc(-c2csc3ncn(Cc4ccc([N+](=O)[O-])cc4)c(=O)c23)cc1 959712 ZPVPDTQRTVUPMR-UHFFFAOYSA-N 391.452 4.644 5 50 GJBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)c(Cl)cc1Cl 1140227 KDIACYLTLFRKSM-UHFFFAOYSA-N 375.595 4.573 5 50 GJBA CC[C@@H](C)c1ccc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 5062923 CLYHNRIEEIKAEI-MRXNPFEDSA-N 398.532 4.627 5 50 GJBA O=[N+]([O-])c1cccc(N2COc3ccc4cc(Br)ccc4c3C2)c1 2297961 WGANYEQGMVODCS-UHFFFAOYSA-N 385.217 4.867 5 50 GJBA O=[N+]([O-])c1cc(/C=C/c2cc(C(F)(F)F)nc(O)n2)c(Cl)cc1Cl 3833701 KYBNCRZCEVXGRK-OWOJBTEDSA-N 380.109 4.586 5 50 GJBA O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 843652 NGVFUOMJXADYRE-FXAWDEMLSA-N 377.425 4.899 5 50 GJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C[C@H](O)c1ccccc1)C1CCCCC1 2034913 FILHDMWYRWOWOW-NRFANRHFSA-N 397.475 4.803 5 50 GJBA O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)c([N+](=O)[O-])c1 3503964 NIMPEMJAMGWLLB-UHFFFAOYSA-N 379.850 4.589 5 50 GJBA Cc1ccc(F)c(NC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)c1 2763193 UKAXUIXGBCMXOW-UHFFFAOYSA-N 384.363 4.775 5 50 GJBA O=C(Nc1cccc([N+](=O)[O-])c1OCc1ccccc1)OCc1ccccc1 606241654 QNXUEBWDJTZOKT-UHFFFAOYSA-N 378.384 4.923 5 50 GJBA O=[N+]([O-])c1ccc2nc(N[C@H]3CCC[C@H](c4ccc(F)c(F)c4)C3)cnc2c1 2325862577 ZQTGMXMEQXSVFS-JSGCOSHPSA-N 384.386 4.955 5 50 GJBA O=C(CSc1nc2ccccc2o1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4810326 UFZQNJFZVOVHJB-UHFFFAOYSA-N 380.381 4.971 5 50 GJBA CC[C@H](C)c1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1 2762529 FYLIWCFPJNZYGQ-HNNXBMFYSA-N 378.432 4.605 5 50 GJBA Cc1cccc(C2=N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)O2)c1 4905729 GURJNFAISGSHND-UNOMPAQXSA-N 388.379 4.816 5 50 GJBA CCN(C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 4810090 UYARPQIHFWOMLD-UHFFFAOYSA-N 389.411 4.514 5 50 GJBA CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 676022 OCIPZACIVUWXJS-UHFFFAOYSA-N 396.852 4.862 5 50 GJBA Cc1cc2nc(Sc3c([N+](=O)[O-])nc(C)n3Cc3ccccc3)[nH]c2cc1C 1132803 IGVASXQFZVWRKR-UHFFFAOYSA-N 393.472 4.792 5 50 GJBA O=[N+]([O-])c1ccccc1-c1ccc(/C=C/c2cc(C(F)(F)F)nc(O)n2)o1 4576302 PAENIVRKFFUEPN-AATRIKPKSA-N 377.278 4.540 5 50 GJBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 4713489 ZPNMWCCXSKLFFF-UHFFFAOYSA-N 379.328 4.548 5 50 GJBA O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc([N+](=O)[O-])cc1Cl 2463019 YRQBHXKFKBQODY-UHFFFAOYSA-N 394.774 4.704 5 50 GJBA Cc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 4955177 DFBQWDQUEMNYSV-UHFFFAOYSA-N 378.340 4.698 5 50 GJBA O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)o1 4980411 DYAMLQRCBGEWJB-UHFFFAOYSA-N 397.862 4.830 5 50 GJBA Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)c1ccc(O)cc1[N+](=O)[O-] 170595794 KMRFMTWTVAJFGR-UHFFFAOYSA-N 396.374 4.579 5 50 GJBA Cc1c(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 1150724 WGFSBIMWGQCWTN-NRFANRHFSA-N 375.380 4.684 5 50 GJBA O=c1oc2cc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2c2ccccc12 1781311 TXRUCGKCZWPWCX-UHFFFAOYSA-N 378.296 4.555 5 50 GJBA O=C(Nc1cc(C(F)(F)F)ccc1Br)c1cccc([N+](=O)[O-])c1 1226961 SCCAKBBEHPWNAO-UHFFFAOYSA-N 389.127 4.628 5 50 GJBA Cc1ccc2oc(-c3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1 1211284 OZNJOTJCHRAQRI-UHFFFAOYSA-N 389.367 4.669 5 50 GJBA O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc([N+](=O)[O-])cc1 2573336 IQCWGCYMNAIJIX-UHFFFAOYSA-N 391.408 4.829 5 50 GJBA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc([N+](=O)[O-])cc1Br 4957908 OZGHJLXUPFUSTJ-UHFFFAOYSA-N 393.281 4.902 5 50 GJBA Cc1ccc(C)c(N2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 4980393 LRDCWQXBEFBTTE-UHFFFAOYSA-N 391.471 4.794 5 50 GJBA O=c1c2ccccc2nc(Cc2cccc([N+](=O)[O-])c2)n1-c1ccccc1Cl 1154416 FAOUZPJQBAPVKI-UHFFFAOYSA-N 391.814 4.538 5 50 GJBA O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1-c1ccccc1 4842127 YJDFVGRNACXKFY-UHFFFAOYSA-N 382.803 4.933 5 50 GJBA CCOc1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc(OCC)c1OCC 1118679 JVEAEMKSFHLKJY-UHFFFAOYSA-N 399.403 4.508 5 50 GJBA O=C(Nc1cc2c(ccc3ccccc32)oc1=O)c1cc([N+](=O)[O-])ccc1Cl 22023334 XHSPZNCIIYNKJM-UHFFFAOYSA-N 394.770 4.760 5 50 GJBA O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 13704338 KIALCSMRIHRFPL-UHFFFAOYSA-N 384.395 4.700 5 50 GJBA in-vivo O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 675468 HQQXQUNUGUHXOR-UHFFFAOYSA-N 395.802 4.753 5 50 GJBA O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccc([N+](=O)[O-])cc1 2793775 JKBIUYNPTVFTEE-UHFFFAOYSA-N 391.355 4.572 5 50 GJBA CCN(C(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1)c1ccccc1 5065178 GGXBRGMEYQXEAH-UHFFFAOYSA-N 389.455 4.916 5 50 GJBA O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1ccccc1[N+](=O)[O-] 25695295 AMQKGCNSAZZPRK-UHFFFAOYSA-N 375.595 4.573 5 50 GJBA COc1ccc([N+](=O)[O-])cc1COc1cc2oc(=O)c(C)c(C)c2cc1Cl 1165137 KNFLMVBLFVCNDD-UHFFFAOYSA-N 389.791 4.559 5 50 GJBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(-c2ccco2)nc2ccccc12 1113641 PIEBBJNXYNEGLK-UHFFFAOYSA-N 377.331 4.794 5 50 GJBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC2(CCC2)c2ccccc21 445259849 IZYQTBWOHRWKTB-UHFFFAOYSA-N 380.447 4.763 5 50 GJBA O=C(CCNc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)cc1 2519796 HDTFYMFTZDPNRE-UHFFFAOYSA-N 383.629 4.696 5 50 GJBA O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccccc1[N+](=O)[O-] 2982004 RZIFVMHOILTZJA-FMIVXFBMSA-N 384.800 4.807 5 50 GJBA Cc1ccc(NC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c(C(=O)O)c1 3154433 IJEPWSGPDXSJMG-UHFFFAOYSA-N 392.367 4.646 5 50 GJBA Cc1cccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])C2)c1 252482377 DEBDPZLGYZUWBL-QFIPXVFZSA-N 385.423 4.895 5 50 GJBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2cccs2)cc1 1176874 HQVFUAAMKXQUBP-IZZDOVSWSA-N 393.424 4.561 5 50 GJBA O=C(CSc1nc2cc(Cl)ccc2s1)Nc1cccc([N+](=O)[O-])c1 1230537 IUTFAHYOBQXYLX-UHFFFAOYSA-N 379.850 4.589 5 50 GJBA C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 4687573 IJWKYCNHEWUUQZ-SCUMNGBJSA-N 397.519 4.530 5 50 GJBA Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)ccc1[N+](=O)[O-] 4749120 AJRPTZSCXUVWMP-UHFFFAOYSA-N 389.367 4.669 5 50 GJBA COc1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c(OC)c1 783482 KKNGOPKLSDGGTC-UHFFFAOYSA-N 392.820 4.732 5 50 GJBA COc1ccccc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1111647 DWMXSNWAUFBLEL-UHFFFAOYSA-N 379.368 4.753 5 50 GJBA O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1 1058026 ODQYVCOJCXAGBP-UHFFFAOYSA-N 398.469 4.848 5 50 GJBA O=C(Nc1cccc(Cl)c1)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1 5102152 PCGABVJATDATQB-UHFFFAOYSA-N 382.807 4.508 5 50 GJBA