smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(Nc1ccc([N+](=O)[O-])cc1O)C1[C@H]2CC/C=C\CC/C=C/CC[C@H]12	5344249	YWCQKKGLXGBROQ-OYASFASXSA-N	356.422	4.568	5	40	FJBB	
CCCCc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1	6342768	LQGMRWKAERSRDZ-UHFFFAOYSA-N	355.419	4.799	5	40	FJBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1csc(-c2cccs2)n1	12873721	IMFNKQCPRJBWAV-NSHDSACASA-N	373.459	4.613	5	40	FJBB	
Cc1cccc(C(=O)CN(C2=NCCCCC2)c2ccc([N+](=O)[O-])cc2)c1	28527717	CTHUHQWJIHUGPH-UHFFFAOYSA-N	365.433	4.565	5	40	FJBB	
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccnc1Cl	20508335	CRRBUXAQGDTQNR-CSKARUKUSA-N	369.764	4.555	5	40	FJBB	
Cc1cccc(-c2c[nH]c([C@H]3CCCN3Cc3ccccc3[N+](=O)[O-])n2)c1	72308654	QMMZVBCMIKXVCT-HXUWFJFHSA-N	362.433	4.630	5	40	FJBB	
Cc1c(O)ccc2c(-c3cc4c(ccc5ccccc54)oc3=O)cc(=O)oc12	2159204	OJEHSAVBPHCDPU-UHFFFAOYSA-N	370.360	4.734	5	40	FJBB	biogenic
O=C(COc1ccc2oc3ccccc3c2c1)Nc1cccc([N+](=O)[O-])c1	3323021	MDKJBKIUQNIWAE-UHFFFAOYSA-N	362.341	4.512	5	40	FJBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc2cc(Cl)ccc2o1	41306257	VNIAMFSEJNXAIL-UHFFFAOYSA-N	351.145	4.900	5	40	FJBB	
Cc1nc(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cs1	408618846	HEXLOQKLFCMULL-UHFFFAOYSA-N	353.403	4.587	5	40	FJBB	
CCN(CC)CCCNc1c(O)cc(C)c2sc3ccccc3c(=O)c12	5390208	BGAYNLPAMSKBPL-UHFFFAOYSA-N	370.518	4.573	5	40	FJBB	
Cc1ccccc1[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	20460086	IFCRLRUISAFHAH-IGVGMEOHSA-N	372.424	4.822	5	40	FJBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccco1)c1ccc(Cl)cc1	27795486	CTPYFMFWFPOSSH-UHFFFAOYSA-N	356.765	4.688	5	40	FJBB	
CCCOc1ccc(Br)cc1CNc1cccc([N+](=O)[O-])c1	387287548	ZZLONMRRCVTXPH-UHFFFAOYSA-N	365.227	4.758	5	40	FJBB	
O=[N+]([O-])c1cccc(NCc2cccc(OCc3ccc(F)cc3)c2)c1	408553719	BMZVETRXHHPREH-UHFFFAOYSA-N	352.365	4.925	5	40	FJBB	
O=C(O)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1[C@H]3CC[C@@H](C3)[C@H]21	408999612	RMSRNYLKCTVUFC-QHMOAEBESA-N	364.401	4.590	5	40	FJBB	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1	408994140	GLWVAEUTHZXTHH-JSXMMJNGSA-N	365.389	4.800	5	40	FJBB	
CCCCN(CC)c1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12	1774818	HNFWRNVSYUVRHZ-UHFFFAOYSA-N	350.422	4.831	5	40	FJBB	
O=C(CSc1cccc2ccccc12)Nc1ccc(F)c([N+](=O)[O-])c1	408543520	PQQMYMUOBCZBOV-UHFFFAOYSA-N	356.378	4.618	5	40	FJBB	
COc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc12	3251515	PFIANQSEVKHFLL-UHFFFAOYSA-N	356.765	4.662	5	40	FJBB	
CC(C)OCc1c(C(=O)OCc2ccc([N+](=O)[O-])cc2)oc2ccccc12	6598686	NHDZMAFYPALHBM-UHFFFAOYSA-N	369.373	4.623	5	40	FJBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Oc2ccccc2)cc1	8427748	UULTYSIBEAQDNS-UHFFFAOYSA-N	364.357	4.648	5	40	FJBB	
COC(=O)Cc1ccc(OCc2nc3ccccc3c3ccccc23)cc1	12545193	QSHCGPGBTWQMAK-UHFFFAOYSA-N	357.409	4.683	5	40	FJBB	
Cc1ccc(C)c(Nc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)c1	5362747	RLTIFWAVJULSDI-UHFFFAOYSA-N	363.421	4.822	5	40	FJBB	
O=C(Nc1cc2ccncc2c2ncccc12)N1CC[C@@H](c2ccccc2)C1	408978154	YLIGNMQZFQGDBY-GOSISDBHSA-N	368.440	4.804	5	40	FJBB	
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)C=Cc1cc(Br)ccc1O2	2186342	SPIKSTZHFKBBBU-UHFFFAOYSA-N	363.123	4.542	5	40	FJBB	biogenic
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1O	4014132	ABWXQZVOTXJITP-UHFFFAOYSA-N	361.568	4.513	5	40	FJBB	
Cc1cc(C)c2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2c1	4599970	RXEMUSQIOPBQOB-UHFFFAOYSA-N	361.810	4.727	5	40	FJBB	
C[C@H](Sc1ccc(F)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	5565419	IKFWQUNBFUENGM-VIFPVBQESA-N	363.345	4.776	5	40	FJBB	
Cc1c(NC(=O)c2ccc(C3SCCS3)cc2)cccc1[N+](=O)[O-]	8266682	YRRDEGCEPRLHLG-UHFFFAOYSA-N	360.460	4.634	5	40	FJBB	
O=C(Cc1coc2ccc3ccccc3c12)N1CCc2ccc([N+](=O)[O-])cc21	14728900	ZXXYJWOJGMREBN-UHFFFAOYSA-N	372.380	4.626	5	40	FJBB	
Cc1noc(C)c1C(=O)Nc1c2ccccc2n2c(C)nc3ccccc3c12	14912673	MDAGGYSRGADFHX-UHFFFAOYSA-N	370.412	4.806	5	40	FJBB	
O=C(c1ccc(Cl)cc1)c1ccc(Oc2ncccc2[N+](=O)[O-])cc1	7985688	JLFIMUKRXLYMOU-UHFFFAOYSA-N	354.749	4.667	5	40	FJBB	
O=[N+]([O-])c1ccc(NCc2ccccc2OCc2cccc(F)c2)cc1	408604790	FEWLPHKABOZXDR-UHFFFAOYSA-N	352.365	4.925	5	40	FJBB	
O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccc([N+](=O)[O-])c1	4330822	OPUIAFZPCMSWBA-UHFFFAOYSA-N	368.201	4.764	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC2c3ccccc3C1c1ccccc12	4697595	ZMXNGULFZNTBDA-ATKRNPRHSA-N	370.408	4.831	5	40	FJBB	
CC[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(C)c(C)c1	218052207	NNEPAUIRACROBO-LJQANCHMSA-N	372.490	4.712	5	40	FJBB	
C[C@@H]1Cc2ccccc2N1C(=S)Nc1cc2ncccc2c2cccnc12	408976767	SBCJVBGTGIVRPL-CQSZACIVSA-N	370.481	4.931	5	40	FJBB	
Cc1ccc2nc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)oc2c1	841521	SRVHPKYNYGWJRV-UHFFFAOYSA-N	373.368	4.964	5	40	FJBB	
COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1	7997715	OCHZSHKOJVRRSU-UHFFFAOYSA-N	372.764	4.769	5	40	FJBB	
CC(=O)Nc1ccc(-c2cc(C(=O)O)c3cc4ccccc4cc3n2)cc1	1722559	OJVOTJROKBYRMX-UHFFFAOYSA-N	356.381	4.712	5	40	FJBB	in-vitro
O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1c(F)cccc1F	3512644	FLCLOWXGZIXPIR-UHFFFAOYSA-N	366.319	4.581	5	40	FJBB	
O=C(OC[C@H]1[C@H]2CC[C@H](C2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1	5119106	GMKJTBKWFFGKGT-KVPLUYHFSA-N	351.402	4.582	5	40	FJBB	
Cc1cccc(OC(=O)c2ccc3nc4[nH]c5ccccc5c4nc3c2)c1	408722154	POGLZQUPEJVRBX-UHFFFAOYSA-N	353.381	4.792	5	40	FJBB	
CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	7072960	FPNOIXDDDZMERL-GFCCVEGCSA-N	362.813	4.779	5	40	FJBB	
O=C1Nc2ccccc2S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	409109164	YUJSYTYKZXUVDA-WQRHYEAKSA-N	364.382	4.940	5	40	FJBB	
COc1ccc(-c2ccc(C(=O)Nc3ccc(C)cc3C)o2)c([N+](=O)[O-])c1	5034516	WGAOKDXBFPACPZ-UHFFFAOYSA-N	366.373	4.733	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccc(F)cc1)c1cccs1	12752043	YMCMKABMAOHKKW-KRWDZBQOSA-N	371.393	4.707	5	40	FJBB	
CN(C)c1ccc(NC(=S)Nc2cc3ccncc3c3ncccc23)cc1	33664565	HKUFMVZWUHWDBC-UHFFFAOYSA-N	373.485	4.658	5	40	FJBB	
CN(C)c1ccc(NC(=S)Nc2cc3ncccc3c3cccnc23)cc1	33862634	WYXMSEPCAQEOBM-UHFFFAOYSA-N	373.485	4.658	5	40	FJBB	
O=Cc1nc(Br)c(-c2ccc3cc4ccccc4cc3c2)[nH]1	1857794903	STOAQSSOMKZJSM-UHFFFAOYSA-N	351.203	4.958	5	40	FJBB	
O=[N+]([O-])c1cccc(-c2cc3cccc[n+]3cc2-c2cccc([N+](=O)[O-])c2)c1	4671196	ADUDVHYIQARMON-UHFFFAOYSA-N	372.360	4.576	5	40	FJBB	
C[C@H](NC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	8434707	PMMMZJFXAAMIKV-HNNXBMFYSA-N	362.385	4.878	5	40	FJBB	
Cc1csc(N(C(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)n1	14586578	GAZBZWTVGVIDOY-UHFFFAOYSA-N	353.403	4.647	5	40	FJBB	
CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1Cl	19928272	GVGCODHSNYSFSN-UHFFFAOYSA-N	374.853	4.819	5	40	FJBB	
O=[N+]([O-])c1cc2c(cc1/C=C\c1ccccc1)[C@@H](O)[C@H](c1ccccc1)N2	36610865	ITOQIWZOAQFVLF-RGISFYSBSA-N	358.397	4.965	5	40	FJBB	
CCc1ccc(OCCNc2cc(N3CCCCC3)ccc2[N+](=O)[O-])cc1	4359250	HTQUVOHGQNTJRT-UHFFFAOYSA-N	369.465	4.638	5	40	FJBB	
COc1ccc(NCc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1	409114286	GTKOYVDQRKDNFN-UHFFFAOYSA-N	364.401	4.795	5	40	FJBB	
CC(C)c1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1	1435428	VXYAHDIGTCMMQI-MFOYZWKCSA-N	370.792	4.716	5	40	FJBB	
C/C(=C/c1c(C)n(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)[N+](=O)[O-]	3850479	BGONXVZQEYHZBY-RAXLEYEMSA-N	351.362	4.544	5	40	FJBB	
CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	8049461	QQSLZTAQQHNWLZ-OAHLLOKOSA-N	369.204	4.698	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1cccs1	12986183	VZHOAYBKYCKASB-QGZVFWFLSA-N	353.403	4.567	5	40	FJBB	
Cc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3o2)cc1	830422	IPZBTJQIANVYAG-UHFFFAOYSA-N	363.329	4.557	5	40	FJBB	
O=C(CSCc1ccc(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1	8907887	NWZXLMIEJWQPRX-UHFFFAOYSA-N	371.245	4.774	5	40	FJBB	
O=C(Nc1ccccc1)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-]	3128274	FJGCAQMCXQQKND-UHFFFAOYSA-N	358.350	4.840	5	40	FJBB	
C[C@H](c1ccccc1)N1COc2ccc3c(oc(=O)c4ccccc43)c2C1	20610019	OLSIZLYFCDUDSO-OAHLLOKOSA-N	357.409	4.859	5	40	FJBB	biogenic
Cc1ccccc1Oc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	8051480	BTKURDKNXJBUFV-UHFFFAOYSA-N	362.385	4.877	5	40	FJBB	
Cc1c(NC(=O)c2cc(Br)ccc2Cl)cccc1[N+](=O)[O-]	19164631	VMHLOTHAVSGDQT-UHFFFAOYSA-N	369.602	4.571	5	40	FJBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)c1ccc(Cl)cc1	27794452	MLYNDJLRERCNLL-UHFFFAOYSA-N	356.765	4.688	5	40	FJBB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	408999096	WHXWPGLWRCNYTD-MELFWRNSSA-N	364.401	4.590	5	40	FJBB	
CCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	714688	GIRHCQGOITWVTR-NRFANRHFSA-N	373.412	4.928	5	40	FJBB	
Cc1cc(-c2nnc(COc3cc(C)c(Cl)c(C)c3)o2)ccc1[N+](=O)[O-]	1043214	JQCKTUDMKHCZBT-UHFFFAOYSA-N	373.796	4.802	5	40	FJBB	
O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc([N+](=O)[O-])s1	7599199	RLNBAKIFBDGREN-UHFFFAOYSA-N	371.399	4.778	5	40	FJBB	
O=C(Nc1cc(Cl)cc2cccnc12)c1ccc([N+](=O)[O-])cc1Cl	12536815	MXCOJKSTDSWSFB-UHFFFAOYSA-N	362.172	4.702	5	40	FJBB	
Cc1cc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc12	12970637	XLIJOPHZFLHVME-CYBMUJFWSA-N	367.430	4.571	5	40	FJBB	
O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(OC(F)F)cc3)no2)c1	89262493	SBOVEHFHZMOKRE-UHFFFAOYSA-N	367.695	4.567	5	40	FJBB	
O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1cccc(F)c1	783169	YUABJWJOGRBOLS-UHFFFAOYSA-N	369.377	4.532	5	40	FJBB	
O=C1C(c2ccccc2)=[N+]([O-])c2cc([N+](=O)[O-])c(/C=C/c3ccccc3)cc21	3844590	BHKGDKVRDXPUFI-VAWYXSNFSA-N	370.364	4.593	5	40	FJBB	
Cc1nc2ccccc2c2c(NC(=O)c3ccccn3)c3ccccc3n12	12597862	LGRRDOVIFZVGCI-UHFFFAOYSA-N	352.397	4.596	5	40	FJBB	
CCc1c(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[nH]c(C)c1C(C)=O	58356797	UEHLNKKQQKMGKD-UHFFFAOYSA-N	355.419	4.787	5	40	FJBB	
CC(C)c1cc2c(c(C(C)C)c1)O[C@](C)(c1ccc([N+](=O)[O-])cc1)NC2=O	585152472	MXLYABNEFJMAQS-OAQYLSRUSA-N	368.433	4.837	5	40	FJBB	
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N1CCCC1	5119729	NRWCHJJKFCLPQQ-CSKARUKUSA-N	371.824	4.500	5	40	FJBB	
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cc1ccccc1[N+](=O)[O-]	30317197	KFGLCWSGCGZNQH-LLVKDONJSA-N	367.232	4.664	5	40	FJBB	
CC(C)(C)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1	3194121	ZGZZGILZIZFDFN-UHFFFAOYSA-N	362.813	4.563	5	40	FJBB	
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccccc1	9956583	DCNYYIDBBIYQKA-QXLXQBSBSA-N	356.809	4.625	5	40	FJBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1cc(-c2ccccc2)no1	58407359	XONZEQBBTJEWAA-UHFFFAOYSA-N	363.295	4.881	5	40	FJBB	
CC(=O)c1ccc(Cn2nc(-c3ccccc3)c3cc([N+](=O)[O-])ccc32)cc1	8040525	KTSYYJOLMGUMAI-UHFFFAOYSA-N	371.396	4.862	5	40	FJBB	
Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	226769225	QQIKAKMTFJKCRL-UHFFFAOYSA-N	374.352	4.619	5	40	FJBB	
CCCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1	409107424	PMDUJEPBZNSYEU-UHFFFAOYSA-N	354.435	4.556	5	40	FJBB	
Cc1ccc(C(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)cn1	22415320	DPMRSVVRKNEMMJ-UHFFFAOYSA-N	366.424	4.905	5	40	FJBB	
O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccccc3OC(F)F)no2)c1	89262488	UIHZGLWYAGYKGD-UHFFFAOYSA-N	367.695	4.567	5	40	FJBB	
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(F)cc1	1053152	CSWKNVVBJUHCLS-ZRDIBKRKSA-N	352.321	4.646	5	40	FJBB	
COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	2638835	QKYRBWJDDKVFFE-UHFFFAOYSA-N	362.813	4.807	5	40	FJBB	
CCc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-]	6558346	VZZNHNUBBKDDEL-NTEUORMPSA-N	368.414	4.782	5	40	FJBB	
O=[N+]([O-])c1cccc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1	84380163	DDNKNBPXTMQLNI-UHFFFAOYSA-N	351.381	4.505	5	40	FJBB	
COc1ccc(-c2cc(=O)c3ccc4cc(OC)c(OC)cc4c3o2)cc1	1859102	IUSJDOIYXGHFSC-UHFFFAOYSA-N	362.381	4.639	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1	21595539	XSGQIONNAFTSEL-UHFFFAOYSA-N	370.449	4.997	5	40	FJBB	
O=C(Nc1ccccc1[N+](=O)[O-])c1cccc2c(Br)cccc12	5584134	LULOJWCCLLYBEE-UHFFFAOYSA-N	371.190	4.763	5	40	FJBB	
Cc1cc(C)c2c(n1)sc1c2ncn2nc([C@@H]3C[C@H]3c3ccccc3)nc12	13643610	ZEZNUJOGZQETJT-LSDHHAIUSA-N	371.469	4.775	5	40	FJBB	
COc1ccc(OC)c2c1[C@H](c1ccccc1[N+](=O)[O-])O[C@@H]1CCCC[C@H]21	15024280	ZIAKEACEGLRLJF-PXARDIRTSA-N	369.417	4.758	5	40	FJBB	
CC(=C/c1ccccc1)/C=C1\N=C(c2ccc(Cl)c([N+](=O)[O-])c2)OC1=O	33295560	WMEGVAWOZRJXJE-MNXDUIDKSA-N	368.776	4.539	5	40	FJBB	
CN(Cc1ccccc1)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	408923224	URHLAGGSORLYKI-CJLVFECKSA-N	372.424	4.794	5	40	FJBB	
O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc([N+](=O)[O-])s1	2723859	WMIANTTVOIJECQ-UHFFFAOYSA-N	374.230	4.825	5	40	FJBB	
CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	20450598	UKEOZRAIGAQDGA-HNNXBMFYSA-N	369.204	4.698	5	40	FJBB	
Cc1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccoc5)cc4c32)cc1N	214478961	ICVVQCQGQCPAFD-UHFFFAOYSA-N	367.408	4.690	5	40	FJBB	
Cc1noc(/C=C\c2cccc(OCCOc3ccccc3)c2)c1[N+](=O)[O-]	408541631	DUAANHIOXIBMFV-KHPPLWFESA-N	366.373	4.519	5	40	FJBB	
CC(C)(C)[P@@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccncc1)N1CCCC1	5447012	FFXRKRRGRHZNFD-AREMUKBSSA-N	372.409	4.957	5	40	FJBB	
CCC(=O)c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	3256747	HLLSHAVXJDZGMF-UHFFFAOYSA-N	364.195	4.529	5	40	FJBB	
CC1=C[C@@H](C)[C@H](CN(CCC[N+](C)(C)C)C(=O)Nc2ccccc2)[C@H](C)C1	4424816	BUAJNOTVFDETEE-SJBKTWHCSA-O	372.577	4.855	5	40	FJBB	
CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	7974764	OSFNUPJNZHKSNA-UHFFFAOYSA-N	359.234	4.625	5	40	FJBB	
CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	30864376	CJIWYWDTDLPTQP-HNNXBMFYSA-N	350.827	4.758	5	40	FJBB	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C1CCCCC1	58030044	WZDOJJMRUAJVPV-KDOFPFPSSA-N	362.495	4.647	5	40	FJBB	
CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc21	409109373	CIPZRVSFNBEUHM-AQTBWJFISA-N	360.369	4.762	5	40	FJBB	
Cc1ccc(N(Cc2cccs2)C(=O)c2ccccc2[N+](=O)[O-])cc1	8586638	JQFNFOLXGKAQJE-UHFFFAOYSA-N	352.415	4.812	5	40	FJBB	
O=C(CSc1ncccc1[N+](=O)[O-])c1ccc2c(c1)-c1ccccc1C2	65693236	ICPVIIVKCXQXEW-UHFFFAOYSA-N	362.410	4.536	5	40	FJBB	
Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1[N+](=O)[O-]	824698	OPYOQEVDWQRNOU-UHFFFAOYSA-N	373.368	4.964	5	40	FJBB	
O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O	4611017	AVULBMQWQQWAKG-UHFFFAOYSA-N	361.568	4.513	5	40	FJBB	
C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	13709524	GCIZWYQXMDYUPH-GFCCVEGCSA-N	370.792	4.807	5	40	FJBB	
Cc1c(CSc2nnc(-c3cccc(Cl)c3)o2)cccc1[N+](=O)[O-]	40127653	RUVHKDKZVAPRQF-UHFFFAOYSA-N	361.810	4.899	5	40	FJBB	
CC(C)c1cc2c(c(C(C)C)c1)O[C@@](C)(c1ccc([N+](=O)[O-])cc1)NC2=O	585152471	MXLYABNEFJMAQS-NRFANRHFSA-N	368.433	4.837	5	40	FJBB	
Cc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1	7996021	SYPNWSLCWARNMY-UHFFFAOYSA-N	353.403	4.587	5	40	FJBB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccco1)c1ccc(Cl)cc1	27795271	LCGKIJJARCLODT-UHFFFAOYSA-N	356.765	4.688	5	40	FJBB	
CC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2	223014264	UPNRAFOCJSWNCR-ZGQNHIEXSA-N	364.445	4.754	5	40	FJBB	
COc1cc(C)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(C)C	223263493	YDFXPOJZKRCIPG-AWEZNQCLSA-N	356.422	4.526	5	40	FJBB	
Cc1cccc2c1Oc1ccccc1[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1	2048549	OXBFBNIBDQNWOK-IBGZPJMESA-N	360.369	4.528	5	40	FJBB	in-vitro
O=C(C[C@@H](SCc1ccco1)c1cccc([N+](=O)[O-])c1)c1cccnc1	3276801	HAAQRJYXHJAWHP-LJQANCHMSA-N	368.414	4.830	5	40	FJBB	
CC(C)(C)c1csc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1	6374939	ZMNKJDRPDBNHFR-UHFFFAOYSA-N	371.418	4.861	5	40	FJBB	
O=S(=O)(Nc1ccnc2c1ccc1ccccc12)c1ccc(Cl)cc1	40384328	AQNWJNUIDQFYGO-UHFFFAOYSA-N	368.845	4.842	5	40	FJBB	
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccccc1[N+](=O)[O-]	5185951	FDQITHBXAOWPBG-UHFFFAOYSA-N	365.823	4.686	5	40	FJBB	
O=C(CSc1ccc2ccccc2c1)Nc1ccc(F)c([N+](=O)[O-])c1	3382601	ABGYJCYIAAWPAG-UHFFFAOYSA-N	356.378	4.618	5	40	FJBB	
Cc1[nH]c2ccccc2c1[C@H](Nc1cccc([N+](=O)[O-])c1)c1cccnc1	1448693	VWMRPZNJWHSSFH-OAQYLSRUSA-N	358.401	4.981	5	40	FJBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CCSc2ccc(Cl)cc21	16298620	UMPOEOOXYWVUIX-IEXSPKMKSA-N	374.849	4.615	5	40	FJBB	
O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1	841942	MPVJHWOGTWPIIR-UHFFFAOYSA-N	354.369	4.781	5	40	FJBB	
O=C(Oc1ccc(C2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2062760	AMFHFDSVFMSBBR-UHFFFAOYSA-N	370.361	4.770	5	40	FJBB	
COc1ccc(-c2ccc(C(=O)Nc3cc(C)ccc3C)o2)c([N+](=O)[O-])c1	5034514	BHFDXANHKIJDAF-UHFFFAOYSA-N	366.373	4.733	5	40	FJBB	
C[C@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccccc2[N+](=O)[O-])N3)C1	4571560	YHFZPSCXTCGHEF-WJLVXLOQSA-N	369.446	4.551	5	40	FJBB	
O=[N+]([O-])c1cccc([C@@H]2N=C(O)c3c(-c4ccccc4)csc3N2)c1	4571743	YSPUMRWPWUXGSU-MRXNPFEDSA-N	351.387	4.752	5	40	FJBB	
Cc1ccc(C)c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1	8389450	SBZCXGLPGGOJPT-GFCCVEGCSA-N	364.854	4.984	5	40	FJBB	
Cc1cccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=NCCCCC2)c1	8414594	QTQNMNBKPHOUDH-UHFFFAOYSA-N	365.433	4.565	5	40	FJBB	
Cc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-]	12784131	SFSOCENDLZSKDX-UHFFFAOYSA-N	374.440	4.788	5	40	FJBB	
Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cccc1[N+](=O)[O-]	14258379	HGSXNKYIKIQQEW-UHFFFAOYSA-N	358.703	4.828	5	40	FJBB	
CCN(CC)c1nc2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1[N+](=O)[O-]	19901549	OYSWICSRVMOADJ-UHFFFAOYSA-N	366.377	4.564	5	40	FJBB	
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N+]1(Cc2ccccc2)CCCC1	41690156	QLVGGLZNWFXOKW-KELGSRBJSA-N	374.589	4.636	5	40	FJBB	
Cc1ccc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1	8039599	UZVLICQXTBJJSZ-LBPRGKRZSA-N	364.854	4.984	5	40	FJBB	
Cc1ccc(SCCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	4496503	PQYMPPYVSNIDMP-UHFFFAOYSA-N	373.459	4.634	5	40	FJBB	
Cc1ccc(NC(=O)CSc2cccc3ccccc23)cc1[N+](=O)[O-]	409183869	UINSHGUALDJBHR-UHFFFAOYSA-N	352.415	4.787	5	40	FJBB	
O=[N+]([O-])c1ccc(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1	1089951	ZNOGZNAWPPGXBU-UHFFFAOYSA-N	350.161	4.542	5	40	FJBB	
O=[N+]([O-])c1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)ccc1Cl	89262438	ZMPKYKCLGVXAKV-UHFFFAOYSA-N	369.686	4.984	5	40	FJBB	
CCC1(CC)C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccc2O1	223330687	RGVJPJXNTQBSQL-KRWDZBQOSA-N	368.433	4.716	5	40	FJBB	
O=[N+]([O-])c1cc(-c2ccccc2)ccc1Oc1nccc(C(F)(F)F)n1	513190195	QXWRDDMDWLYOAO-UHFFFAOYSA-N	361.279	4.863	5	40	FJBB	
CCOC(OCC)c1cccc2c(Br)ccc([N+](=O)[O-])c12	3844827	AYXNMYWCTPHXOV-UHFFFAOYSA-N	354.200	4.582	5	40	FJBB	biogenic
O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21	408992580	ANWJVUOCJYXJBH-QVSQXXKZSA-N	364.401	4.590	5	40	FJBB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N+]1(Cc2ccccc2)CCCC1	252506136	QLVGGLZNWFXOKW-GNLZIIPMSA-N	374.589	4.636	5	40	FJBB	
Cc1cccc2c(=O)c3c(O)cc(OCc4ccc(F)cc4)cc3oc12	5324867	DISRSZQNWBPYTG-UHFFFAOYSA-N	350.345	4.678	5	40	FJBB	
COc1cc([N+](=O)[O-])c2nc(Nc3nc4cc(C)cc(C)c4o3)sc2c1	57352585	JSVWUQOYNNFNIL-UHFFFAOYSA-N	370.390	4.715	5	40	FJBB	
C[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	13709526	GCIZWYQXMDYUPH-LBPRGKRZSA-N	370.792	4.807	5	40	FJBB	
O=C(/C=C/c1cccc(F)c1)OCc1cc(=O)oc2ccc3ccccc3c12	6237944	TZWRDZCZBLWYIS-DHZHZOJOSA-N	374.367	4.842	5	40	FJBB	
CCN(CC)c1cc(NC(=O)c2cccc(C)c2)c(Cl)cc1[N+](=O)[O-]	72229111	NYMKZJQZQHJXPV-UHFFFAOYSA-N	361.829	4.655	5	40	FJBB	
O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1ccccc1F	828317	CRKZISLBWLIIEA-UHFFFAOYSA-N	352.321	4.779	5	40	FJBB	
CCC(=O)Oc1cn([C@@H](C)CC)c2nc(CC)n3c4ccccc4nc3c12	13238244	XQQDTWJCALVUCV-ZDUSSCGKSA-N	364.449	4.686	5	40	FJBB	
O=[N+]([O-])c1cc(Cl)ccc1N1CCC(Cc2nc3ccccc3[nH]2)CC1	1651197489	DMFZBDIOSNZWBX-UHFFFAOYSA-N	370.840	4.584	5	40	FJBB	
Cc1ccc2c(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cccc2n1	8071796	PUVCTXHPNXHZEN-UHFFFAOYSA-N	373.368	4.964	5	40	FJBB	
CCN(CC)c1ccc2c(C)c(-c3ccc([N+](=O)[O-])cc3)c(=O)oc2c1	79006560	VMXKKBJEEJZKLF-UHFFFAOYSA-N	352.390	4.523	5	40	FJBB	
Cc1ccc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)oc2c1	726834	OGESPUIOFJIPTH-UHFFFAOYSA-N	373.368	4.964	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1C(F)(F)F	4923436	MFNVNNABCJQWIO-UHFFFAOYSA-N	359.691	4.911	5	40	FJBB	
CC(=O)Nc1ccc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	7983538	CHJLJSBSDRDBNV-UHFFFAOYSA-N	356.325	4.723	5	40	FJBB	
COc1ccc(N(Cc2cccs2)C(=O)c2cccc([N+](=O)[O-])c2)cc1	11916508	VHKGWLQANCUKFF-UHFFFAOYSA-N	368.414	4.512	5	40	FJBB	
COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1Cl	225508414	OFGOQGPHFGJBON-UHFFFAOYSA-N	374.824	4.707	5	40	FJBB	
O=[N+]([O-])c1cc(F)c(N2CCCCCC2)cc1N1CCc2ccccc2C1	4624197	NOWLIKIMEWXNDK-UHFFFAOYSA-N	369.440	4.677	5	40	FJBB	
COc1ccc(OC)c2c1[C@@H](c1ccccc1[N+](=O)[O-])O[C@H]1CCCC[C@H]21	4789085	ZIAKEACEGLRLJF-WDUKFBBWSA-N	369.417	4.758	5	40	FJBB	
CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	30864370	CJIWYWDTDLPTQP-OAHLLOKOSA-N	350.827	4.758	5	40	FJBB	
O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H]1c1ccsc1	48236558	XNMDVHUMVYLFLY-CQSZACIVSA-N	358.444	4.848	5	40	FJBB	
O=[N+]([O-])c1ccc(NCc2ccccc2OCc2ccc(F)cc2)cc1	408607334	KZXOEHHIWBIXIF-UHFFFAOYSA-N	352.365	4.925	5	40	FJBB	
O=C(CCCOc1ccc(Cl)cc1Cl)Oc1ccccc1[N+](=O)[O-]	1794909	XOXFZEJGFQKXAC-UHFFFAOYSA-N	370.188	4.666	5	40	FJBB	
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C1(c2ccccc2)CCCC1	2512722	LFDPRPNLYNHVKL-UHFFFAOYSA-N	367.430	4.655	5	40	FJBB	
C[C@@H](SC1=Nc2ccccc2CS1)C(=O)Nc1cccc([N+](=O)[O-])c1	22022016	UUGSZRQTFUZFSX-LLVKDONJSA-N	373.459	4.590	5	40	FJBB	
O=[N+]([O-])c1ccc(OCc2cccc3c2CCOC3)c(-c2cccs2)c1	600858503	AJFPSVMYFRVSPK-UHFFFAOYSA-N	367.426	4.975	5	40	FJBB	
CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2[N+](=O)[O-])N3)C1	4545409	JVHXOBHKMHBLBZ-MGPLVRAMSA-N	357.435	4.600	5	40	FJBB	
CC(C)(C)c1ccc(C(=O)CCC(=O)OCc2ccccc2[N+](=O)[O-])cc1	21741693	GBICGEUBKADEQD-UHFFFAOYSA-N	369.417	4.599	5	40	FJBB	
Cc1c(-c2ccc(C(=O)n3cc(C=O)c4ccccc43)o2)cccc1[N+](=O)[O-]	226768509	FEXCBDCWPJSTLA-UHFFFAOYSA-N	374.352	4.619	5	40	FJBB	
O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCc2ccccc21	10449003	OQOODYLJSAIMHH-LTGZKZEYSA-N	370.408	4.725	5	40	FJBB	
CCCCN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O	5552422	AUBJRGYWSBVJAP-LFIBNONCSA-N	372.402	4.691	5	40	FJBB	
C[C@H]1CCN=C(N(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1	27526053	NLMGKZKYYFMBTM-MRXNPFEDSA-N	365.433	4.503	5	40	FJBB	
CC(=O)CSc1ncnc2c1sc1nc3c(C)cc(C)cc3cc12	1327865	BERMXNCKGVSFQQ-UHFFFAOYSA-N	353.472	4.691	5	40	FJBB	
O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	7684013	SSCZBKHOHJAYPZ-UHFFFAOYSA-N	359.794	4.624	5	40	FJBB	
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)O2	218120338	DKOIGZUQWLHYDP-INIZCTEOSA-N	374.824	4.589	5	40	FJBB	
C[C@@H]1Cc2ccccc2N1C(=O)Nc1cc2ccncc2c2ncccc12	408973949	CWLCYKGPSZUKLV-CQSZACIVSA-N	354.413	4.766	5	40	FJBB	
CCNC(=O)OCc1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1	1405591	YJHFFENDTYPDOU-UHFFFAOYSA-N	366.826	4.646	5	40	FJBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCc2sccc2[C@@H]1c1cccs1	7946921	QAFJEVDZLILBRZ-QGZVFWFLSA-N	370.455	4.506	5	40	FJBB	
Cc1cc(C)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)c(C)c1	4069844	BLIHPFJIRLALAB-UHFFFAOYSA-N	367.430	4.896	5	40	FJBB	
C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2cccc([N+](=O)[O-])c2)N3)C1	4571449	HVYBXXQTRHGROY-XVKQJOEZSA-N	369.446	4.551	5	40	FJBB	
Cc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)C(=O)c2cccs2)cc1	853658	RNPOZLFMSWMXER-UHFFFAOYSA-N	352.415	4.812	5	40	FJBB	
CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	59294323	MVGRTCSZLXRJAZ-UHFFFAOYSA-N	356.422	4.688	5	40	FJBB	
O=c1c2ccccc2c2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1	2716174	KHBPRCOVPAMBEC-UHFFFAOYSA-N	367.326	4.523	5	40	FJBB	
COc1ccc([C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	5640116	VLMKZMQJNMVWEN-HXUWFJFHSA-N	363.369	4.550	5	40	FJBB	
C[C@H]1Cc2ccccc2N1C(=S)Nc1cc2ccncc2c2ncccc12	408974835	HHAFCNQEEPPRQL-AWEZNQCLSA-N	370.481	4.931	5	40	FJBB	
CCN(CC)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1	6629918	HQVHXFBEWOKDMZ-UHFFFAOYSA-N	361.829	4.655	5	40	FJBB	
Cc1ccc(-c2ccc(/C=C\c3onc(C)c3[N+](=O)[O-])o2)c([N+](=O)[O-])c1	408545370	YHSURDOHOJUADF-YVMONPNESA-N	355.306	4.538	5	40	FJBB	
CC(C)(C)CC(C)(C)NC(=O)c1cc2c(ccc3ccccc32)oc1=O	27529555	ORYGNHPLFBAFPJ-UHFFFAOYSA-N	351.446	4.891	5	40	FJBB	
O=[N+]([O-])c1c(Oc2cc(Cl)c(Cl)cc2Cl)nc2ccccn12	29163086	LTMYYIIVXQLISG-UHFFFAOYSA-N	358.568	4.995	5	40	FJBB	
CC(C)c1c2oc3cc(O)ccc3c2nc2c1c(O)nn2C1CCCC1	95472792	GQAKUECZMJIKMP-UHFFFAOYSA-N	351.406	4.980	5	40	FJBB	
C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)c1ccc([N+](=O)[O-])cn1	12527864	HXPFABFHAZSZPG-OAHLLOKOSA-N	373.416	4.526	5	40	FJBB	
CC(C)Oc1cccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1	72229462	XWKLJCOZLPMLBS-UHFFFAOYSA-N	369.204	4.941	5	40	FJBB	
Cc1ccc2c(c1)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)CC(C)(C)O2	218124897	ZXJJBDMMTJEXLY-MRXNPFEDSA-N	374.824	4.589	5	40	FJBB	
O=[N+]([O-])c1ccc([C@@H]2N=C(O)c3c(-c4ccccc4)csc3N2)cc1	6252576	XGBFDBWIPVKFDQ-MRXNPFEDSA-N	351.387	4.752	5	40	FJBB	
Cc1noc(C[C@H](CC(=O)c2ccc(F)cc2)c2ccccc2)c1[N+](=O)[O-]	19872766	WRIKFYWHMOKIGT-INIZCTEOSA-N	368.364	4.630	5	40	FJBB	
O=[N+]([O-])c1ccc(C2=Nc3ccccc3N=C(c3ccccc3O)C2)cc1	1304001	YYHIKWOVEHBVJZ-UHFFFAOYSA-N	357.369	4.946	5	40	FJBB	
Cc1noc(C[C@@H](CC(=O)c2ccc(F)cc2)c2ccccc2)c1[N+](=O)[O-]	19872764	WRIKFYWHMOKIGT-MRXNPFEDSA-N	368.364	4.630	5	40	FJBB	
O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408621373	NVUJDEHPVCXINL-UHFFFAOYSA-N	360.728	4.900	5	40	FJBB	
CN(C)c1ccc(NC(=S)Nc2cc3cccnc3c3ncccc23)cc1	6351396	PREAIJBPLHHGJJ-UHFFFAOYSA-N	373.485	4.658	5	40	FJBB	
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccccc2[N+](=O)[O-])o1	19159954	CNQRQVVBUKNKLY-UHFFFAOYSA-N	366.417	4.553	5	40	FJBB	
Cc1ccc(N2C(=O)Cc3ccccc3[C@H]2c2cccc([N+](=O)[O-])c2)cc1	70503632	QTWODZHSKJWAGO-JOCHJYFZSA-N	358.397	4.582	5	40	FJBB	
Cc1c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cccc1[N+](=O)[O-]	8331181	MYZLEWZZYUBESQ-NSHDSACASA-N	350.827	4.676	5	40	FJBB	
Cc1ccc(C(C)C)c(OCC(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)c1	72228816	MGUILYALGKBHMU-UHFFFAOYSA-N	356.422	4.661	5	40	FJBB	
CC[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1C	218052438	AIRPAMZENFIWFR-IBGZPJMESA-N	372.490	4.712	5	40	FJBB	
Cc1cc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Cl	11342831	TXXXELSVUOBGLC-JTQLQIEISA-N	369.204	4.616	5	40	FJBB	
CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	22518354	IIQFWEIEQQCUPA-INIZCTEOSA-N	362.813	4.661	5	40	FJBB	
Cc1ccc(NC(=O)c2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])c1	408625105	WUYROPHYMZOISJ-UHFFFAOYSA-N	353.403	4.587	5	40	FJBB	
Cc1oc(-c2ccccc2)nc1COC(=O)c1cc([N+](=O)[O-])ccc1Cl	12257034	ZBYIVRGCWGBPAA-UHFFFAOYSA-N	372.764	4.569	5	40	FJBB	
Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccc2)cc1	44899869	MIXCVVHIDKRIDH-NRFANRHFSA-N	360.413	4.731	5	40	FJBB	
COc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C	225507991	HSKKVTDGDNDMNR-UHFFFAOYSA-N	368.433	4.671	5	40	FJBB	
O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(Cl)c([N+](=O)[O-])c1	5197453	JUQLIZNKLCEBAD-UHFFFAOYSA-N	352.777	4.752	5	40	FJBB	
CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)c1ccc(F)cc1	71793382	CUAZCOHSVQECLA-NRFANRHFSA-N	350.393	4.955	5	40	FJBB	
C[C@@H]([C@H](c1ccc(Br)cc1)c1ccccc1Cl)[N+](=O)[O-]	1755188	DFJVKHSHTGUZAZ-ZUZCIYMTSA-N	354.631	4.900	5	40	FJBB	
C[C@H]1CCCCN1c1ccc(-c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-]	15833739	RRWYELBNICMOBS-AWEZNQCLSA-N	364.405	4.691	5	40	FJBB	
Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1ccccc1F)CO2	2117259	ACYZFWFWDSJJDX-UHFFFAOYSA-N	361.372	4.750	5	40	FJBB	biogenic
O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)C2CCCCC2)c1)C1CCCCC1	6329927	JALWBBCHMPGCHD-UHFFFAOYSA-N	373.453	4.632	5	40	FJBB	
O=C(Oc1cccc2cccnc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	6863637	YUOTUDNYWCCTJS-UHFFFAOYSA-N	360.325	4.622	5	40	FJBB	
Cc1c(C(=O)Nc2ccc(Cl)cc2)c(Cl)nc(Cl)c1[N+](=O)[O-]	1066560	YVICCLLVYRIDFR-UHFFFAOYSA-N	360.584	4.511	5	40	FJBB	
O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-])C(F)(F)F	226303141	XKXTUIOQSQRJSU-UHFFFAOYSA-N	368.355	4.563	5	40	FJBB	
COc1cccc(NC(=S)Nc2cc3cccnc3c3ncccc23)c1	408976068	PBVZWSIEUJLAJO-UHFFFAOYSA-N	360.442	4.601	5	40	FJBB	
O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])o1	3236280	FNRDMVQVWPUJRS-UHFFFAOYSA-N	365.370	4.717	5	40	FJBB	
CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)cc1Cl	14861224	SVHPMRDGVCTTJY-UHFFFAOYSA-N	361.829	4.655	5	40	FJBB	
C[C@@H](c1ccccc1)N1COc2ccc3c(oc(=O)c4ccccc43)c2C1	20610021	OLSIZLYFCDUDSO-HNNXBMFYSA-N	357.409	4.859	5	40	FJBB	biogenic
Cc1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-]	33581537	XEFQYEIZGTWFCR-UVTDQMKNSA-N	368.414	4.918	5	40	FJBB	
CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1C	223018708	GQCMCTZBZJYUHS-QGZVFWFLSA-N	362.813	4.661	5	40	FJBB	
O=[N+]([O-])c1cc2c(cc1/C=C/c1ccccc1)[C@H](O)[C@@H](c1ccccc1)N2	3845005	ITOQIWZOAQFVLF-LVIAPQIJSA-N	358.397	4.965	5	40	FJBB	
O=C(Nc1ccc([C@H]2CC2(Cl)Cl)cc1)c1cccc([N+](=O)[O-])c1	4703798	TUPUJUNZMBKDGA-CQSZACIVSA-N	351.189	4.508	5	40	FJBB	
CCCCOC(=O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21	4919275	ITDMYXSAHZUFHU-UHFFFAOYSA-N	367.836	4.734	5	40	FJBB	
Cc1ccc(NC(=O)CNc2ccccc2-c2ccccc2)c([N+](=O)[O-])c1	11618752	YSJZBTJJHPSVOT-UHFFFAOYSA-N	361.401	4.621	5	40	FJBB	
O=C(CCCOc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl	14399327	AXGXGABTLWEZGO-UHFFFAOYSA-N	369.204	4.699	5	40	FJBB	
O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1Cl	12563031	VDDZXQOTEOEIFF-UHFFFAOYSA-N	368.220	4.732	5	40	FJBB	
Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	226768018	FFNHEIPGUGTUQZ-UHFFFAOYSA-N	374.352	4.619	5	40	FJBB	
O=C(CSCc1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1Cl	408723806	PSLKUKCXXDVEOL-UHFFFAOYSA-N	371.245	4.774	5	40	FJBB	
CCC(CC)C(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	9426669	WKTJITBCNPNNKJ-UHFFFAOYSA-N	369.421	4.530	5	40	FJBB	
CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	44901062	JJOYWDZDQADNEE-LBPRGKRZSA-N	362.813	4.778	5	40	FJBB	
Cc1cc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccccc12	5986714	GRMJZKTVUWSBPC-UHFFFAOYSA-N	368.414	4.610	5	40	FJBB	
Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1	6269757	GFOVHJKLQKGBPP-UHFFFAOYSA-N	371.400	4.773	5	40	FJBB	
Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)o1	6654310	BIWNTMGBOXKTOS-UHFFFAOYSA-N	363.782	4.525	5	40	FJBB	
O=[N+]([O-])c1cc2c(c(CSCc3ccc(F)cc3Cl)c1)OCOC2	32794084	SLXOVKSODYYNSO-UHFFFAOYSA-N	369.801	4.687	5	40	FJBB	
O=c1c2ccccc2oc2cc(OCc3ccc(Cl)cc3)cc(O)c12	5443231	KOKJHMJLPBQJFE-UHFFFAOYSA-N	352.773	4.884	5	40	FJBB	biogenic
COc1ccc(S(=O)(=O)c2cc(C)c3ccc4ccccc4c3n2)cc1	6244448	OWHHCMRUHDMMAH-UHFFFAOYSA-N	363.438	4.538	5	40	FJBB	
COc1ccc(OC)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)O[C@@H]1CCCC[C@H]21	6668165	MXJZASFYLXWVPX-GCKMJXCFSA-N	369.417	4.758	5	40	FJBB	
O=[N+]([O-])c1ccc(Oc2ccc(F)cc2Br)c2ccncc12	3449159	PRWWNFQBJDDXGF-UHFFFAOYSA-N	363.142	4.837	5	40	FJBB	
Cc1c(NC(=O)CSc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-]	6510604	ZJYQKCLQNLAXQG-UHFFFAOYSA-N	370.352	4.653	5	40	FJBB	
CCc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccccc1)=N2	6844155	QRSVSKZTBKWNMQ-UHFFFAOYSA-N	370.412	4.591	5	40	FJBB	aggregator
COc1ccc([C@H](CC(C)C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	22526607	DPKVLOFEQUGOOX-BESKYLIDSA-N	368.433	4.520	5	40	FJBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1C(F)(F)F	96505889	AFFZSIHSOXYMMM-FPYGCLRLSA-N	370.714	4.919	5	40	FJBB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	217872963	GCTDIEQRWNWGIF-OAHLLOKOSA-N	374.824	4.589	5	40	FJBB	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12	23119976	SFTYMZGVJMMQPL-ZDUSSCGKSA-N	352.415	4.867	5	40	FJBB	
O=C(Nc1cccc(C(F)(F)F)c1)c1cc2cc([N+](=O)[O-])ccc2o1	1236703	VEDHQUVMIKTPKP-UHFFFAOYSA-N	350.252	4.612	5	40	FJBB	
COC/C=C/Cc1cc(NCCCc2ccccc2)c([N+](=O)[O-])cc1C	204743508	BHBKTNXWXYRGND-VOTSOKGWSA-N	354.450	4.693	5	40	FJBB	
COc1ccc2cc(CNc3cccc([N+](=O)[O-])c3C)c(Cl)nc2c1	22474436	CCCQJJPDXQNEKS-UHFFFAOYSA-N	357.797	4.726	5	40	FJBB	
COc1cc([N+](=O)[O-])c2nc(Nc3nc4ccccc4s3)sc2c1	57352475	WZGBFYWYWOHGSS-UHFFFAOYSA-N	358.404	4.566	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(Cl)cccc1Cl	225351865	QSOORVPGSVIGIM-UHFFFAOYSA-N	353.205	4.781	5	40	FJBB	
O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1ccccc1Cl	6660610	HGGKGJPTKNDCSO-UHFFFAOYSA-N	367.763	4.991	5	40	FJBB	
C[C@H]1Cc2ccccc2N1C(=O)Nc1cc2cccnc2c2cccnc12	408973335	AODZPNWYQXMGRE-AWEZNQCLSA-N	354.413	4.766	5	40	FJBB	
O=C(NCc1ccccc1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1	409002566	VBPNKQIYCMXNME-UHFFFAOYSA-N	367.412	4.586	5	40	FJBB	
O=[N+]([O-])c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1	644685	SLAKPUZCHMXDSL-UHFFFAOYSA-N	354.369	4.781	5	40	FJBB	in-vitro
CC(C)(C)c1ccc(OCCNc2ccc([N+](=O)[O-])c3cccnc23)cc1	4117404	JCPJFNAXIIDEAQ-UHFFFAOYSA-N	365.433	4.931	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc2ccccc2c1	4886377	PYWWJHXJEVVAOK-UHFFFAOYSA-N	352.415	4.787	5	40	FJBB	
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Cl)s1	4070271	ZNLUFTXZJZAAQJ-UHFFFAOYSA-N	365.823	4.686	5	40	FJBB	
O=C(CCc1ccsc1)OCc1cc(=O)oc2ccc3ccccc3c12	7555728	VZDHTGPNZUJGQB-UHFFFAOYSA-N	364.422	4.684	5	40	FJBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cc1ccccc1	3278899	WRSHQLNJTOYBSH-NTCAYCPXSA-N	359.381	4.804	5	40	FJBB	
COc1ccc(OC)c2c1[C@@H]1CCCC[C@@H]1O[C@@H]2c1ccc([N+](=O)[O-])cc1	6668162	MXJZASFYLXWVPX-VWKPWSFCSA-N	369.417	4.758	5	40	FJBB	
O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccccc3)o2)c(Cl)c1	7524224	ZGOZTIPVEVPZCS-UHFFFAOYSA-N	371.824	4.710	5	40	FJBB	
Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-]	14258378	ODZSIIWRXOITAS-UHFFFAOYSA-N	358.703	4.828	5	40	FJBB	
O=C(Nc1cccnc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F	24430544	KFUOCZKJHPUVIY-UHFFFAOYSA-N	369.377	4.532	5	40	FJBB	
Cc1cc(C)c(NC(=O)Cn2c(=O)c3ccccc3c3ccccc32)c(C)c1	85388506	VHRHDFSLBQXHSS-UHFFFAOYSA-N	370.452	4.719	5	40	FJBB	
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)OCc1nc2ccccc2s1	8707126	ZPYYFPJJYZPVOT-SOFGYWHQSA-N	374.805	4.615	5	40	FJBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CCSc2ccc(Cl)cc21	16298621	UMPOEOOXYWVUIX-RRGWEWPQSA-N	374.849	4.615	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCc2ccccc2)c1	19160863	KHVNSQPVENYALO-UHFFFAOYSA-N	362.385	4.735	5	40	FJBB	
CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2	223014331	UPNRAFOCJSWNCR-PBAKHKOTSA-N	364.445	4.754	5	40	FJBB	
O=C(CSCc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl	21125543	DKUWUUOHDYHRBS-UHFFFAOYSA-N	371.245	4.774	5	40	FJBB	
CCN(CC)C[C@H](C)Nc1ccc(C)c2sc3ccccc3c(=O)c12	4522709	AMSIIUAVEDAGKX-HNNXBMFYSA-N	354.519	4.865	5	40	FJBB	
CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2[N+](=O)[O-])N3)C1	4545408	JVHXOBHKMHBLBZ-QLJPJBMISA-N	357.435	4.600	5	40	FJBB	
O=C1O/C(=C(/c2ccc(CCc3ccccc3)cc2)[N+](=O)[O-])c2ccccc21	2363975	ANITZGTZZRCLDR-DQRAZIAOSA-N	371.392	4.745	5	40	FJBB	
O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3cccc(Cl)c3)o2)cc1	7365284	ASZGZNCSEOBJHP-UHFFFAOYSA-N	371.824	4.710	5	40	FJBB	
C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)C)cc1	13675074	YKOMYJJORXXAKT-KEQVLUGWSA-N	352.434	4.783	5	40	FJBB	
Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1[N+](=O)[O-]	14861843	FNZAPTXSLJPRIB-UHFFFAOYSA-N	372.384	4.699	5	40	FJBB	
Cc1ccc(SCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	218146456	MJQAJCMBVPQDGN-UHFFFAOYSA-N	350.827	4.678	5	40	FJBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c(ccc3ccccc32)o1	218494716	UKZAGGHUWCSCRD-UHFFFAOYSA-N	362.341	4.755	5	40	FJBB	
c1ccc(-c2cc[n+]3c4c2ccc2c(-c5ccccc5)cc[n+](c24)CC3)cc1	1564231	OZAPLKDXSLVXDE-UHFFFAOYSA-N	360.460	4.916	5	40	FJBB	
C[C@H](C(=O)c1ccc2cc(Br)c3ccccc3c2c1)N(C)C	1593471	WLGYGMHEMOYARN-GFCCVEGCSA-N	356.263	4.888	5	40	FJBB	
O=[N+]([O-])c1ccc2c(c1)sc1cc([N+](=O)[O-])c(Br)cc12	1697584	DZLBTSMMXXHZSI-UHFFFAOYSA-N	353.153	4.633	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1cccs1	12986181	VZHOAYBKYCKASB-KRWDZBQOSA-N	353.403	4.567	5	40	FJBB	
CC(=O)c1ccc(NC(=O)Nc2cc3ncccc3c3cccnc23)cc1	408974179	DCLSTNDYISRNIV-UHFFFAOYSA-N	356.385	4.630	5	40	FJBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])OCc1c(Cl)cccc1Cl	3249806	KFBDBWKIWCWCLW-CMDGGOBGSA-N	352.173	4.658	5	40	FJBB	
O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccc(Cl)cc3)o2)cc1	7365269	NXCBVRDVUTWQLB-UHFFFAOYSA-N	371.824	4.710	5	40	FJBB	
CC[C@H](C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	17074671	PVOQBNQVDZOLAM-LBPRGKRZSA-N	362.813	4.779	5	40	FJBB	
C[C@@H]1Cc2ccccc2N1C(=O)Nc1cc2ncccc2c2cccnc12	408976153	PSDYWVBJCLNZSG-CQSZACIVSA-N	354.413	4.766	5	40	FJBB	
Cc1ccc(-c2cc(C)nc(Sc3ccc([N+](=O)[O-])cc3C=O)n2)cc1	409389279	PKQAEAYLWQJRAR-UHFFFAOYSA-N	365.414	4.632	5	40	FJBB	
CSc1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)cc1[N+](=O)[O-]	14668567	PJFFHTDLNMMDET-UHFFFAOYSA-N	350.827	4.839	5	40	FJBB	
Cc1ccc([C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1	216479995	KUUGVMANXSDIEL-MEWQITQSSA-N	372.424	4.822	5	40	FJBB	
O=[N+]([O-])c1cccc(NCc2ccccc2OCc2ccccc2F)c1	408556890	KRMFWBJUTPISLO-UHFFFAOYSA-N	352.365	4.925	5	40	FJBB	
COc1ccc(C(=O)[C@H](C[N+]2(C)CCCCCC2)c2ccccc2)cc1	1250600	FZCSKIYYZPRLTO-JOCHJYFZSA-N	352.498	4.682	5	40	FJBB	
CCCC[N+]12CCC(CC1)[C@H](C(O)(c1ccccc1)c1ccccc1)C2	2310953	VIIOHTZMFZJVDT-JKJRPBHFSA-N	350.526	4.579	5	40	FJBB	
Cc1noc(/C=C\c2cccc(OCc3ccc(F)cc3)c2)c1[N+](=O)[O-]	98031075	XXRVSZHHAKRCMV-YFHOEESVSA-N	354.337	4.780	5	40	FJBB	
O=[N+]([O-])c1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)cc1	408606486	IBGQDYQCXNAPGP-UHFFFAOYSA-N	352.365	4.925	5	40	FJBB	
O=C(NCc1ccccc1)c1ccc2sc3nc4ccccc4nc3c2c1	408974485	AKSBAFCPBJQJJE-UHFFFAOYSA-N	369.449	4.928	5	40	FJBB	
C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2cccc([N+](=O)[O-])c2)N3)C1	4571457	HVYBXXQTRHGROY-WFTDUIAPSA-N	369.446	4.551	5	40	FJBB	
O=[N+]([O-])c1c(NC(c2ccccc2)c2ccccc2)nc2sccn12	8317441	GUFSPGYYVCQJGI-UHFFFAOYSA-N	350.403	4.506	5	40	FJBB	
Cc1noc([C@@H](C)Sc2nc3ccccc3c3nc4ccccc4n23)n1	12535701	CNPJCVQLWWEWHN-LLVKDONJSA-N	361.430	4.580	5	40	FJBB	
Cc1[nH]c2ccccc2c1[C@H](Nc1cccc([N+](=O)[O-])c1)c1ccncc1	1281075	SILRBJMNOQRPLB-OAQYLSRUSA-N	358.401	4.981	5	40	FJBB	
O=c1oc2c([N+](=O)[O-])cc(Cl)cc2cc1-c1nc2ccccc2s1	3225183	UPFNOVANCLJZPU-UHFFFAOYSA-N	358.762	4.631	5	40	FJBB	
COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@@H]2c1ccccc1[N+](=O)[O-]	4789089	ZIAKEACEGLRLJF-IUSZMWJPSA-N	369.417	4.758	5	40	FJBB	
Cc1cc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Cl	11342832	TXXXELSVUOBGLC-SNVBAGLBSA-N	369.204	4.616	5	40	FJBB	
CCN(CC)c1cc(NC(=O)c2ccc(C)cc2)c(Cl)cc1[N+](=O)[O-]	72229112	MMHGXOSJOWREAW-UHFFFAOYSA-N	361.829	4.655	5	40	FJBB	
CCC1(CC)C[C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2O1	223647522	VDPZPOIJUUDJHG-QGZVFWFLSA-N	368.433	4.716	5	40	FJBB	
CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-]	817500	FNDAKWZOUKIDCW-UHFFFAOYSA-N	355.177	4.553	5	40	FJBB	
CC[C@@H](C)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	408622602	PIFGUEFPAPUFJX-OAHLLOKOSA-N	367.449	4.961	5	40	FJBB	
O=C(Nc1ccc2c(c1)ncn2C1CCCCC1)c1ccc([N+](=O)[O-])cc1	9356218	GPNBGSRPKNXWDG-UHFFFAOYSA-N	364.405	4.702	5	40	FJBB	
Cc1cc(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)ccc1[N+](=O)[O-]	78505433	UKCJXXPQHGOIBJ-UHFFFAOYSA-N	374.387	4.766	5	40	FJBB	
CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc2c(c1)CCCC2	170555493	WSWKPXHIQCUMAH-LJQANCHMSA-N	352.434	4.663	5	40	FJBB	
COc1ccc(C(=O)Nc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)cc1	851696	DTWXLMBEQZSBHS-UHFFFAOYSA-N	364.357	4.648	5	40	FJBB	
CCc1ccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1	2125894	HXWMDDLCAFAOOM-UHFFFAOYSA-N	357.409	4.865	5	40	FJBB	biogenic
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(c1ccccc1)c1ccccc1	4857704	FPLSWOOVJJUWBF-FQEVSTJZSA-N	358.397	4.540	5	40	FJBB	
O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccccc2F)no1	6868026	HCNUTTGOEOEBAE-UHFFFAOYSA-N	358.328	4.802	5	40	FJBB	
O=c1cc(-c2ccccc2)c2ccc(Oc3ncccc3[N+](=O)[O-])cc2o1	7186459	QGFVPOBNUXMWRO-UHFFFAOYSA-N	360.325	4.556	5	40	FJBB	
O=C1S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)N1CC1CCCCC1	409125163	JIBOAHWEUMPQFF-MKILNOHCSA-N	372.446	4.768	5	40	FJBB	
O=[N+]([O-])c1cc(C(F)(F)F)cc2c1SC1=Nc3ccccc3CN12	1617733	FPVMRDWZFMSHFM-UHFFFAOYSA-N	351.309	4.727	5	40	FJBB	
Cc1nc(Oc2cccnc2[N+](=O)[O-])c2c(-c3cccs3)csc2n1	15164050	ZWDSJWGPOYVYDL-UHFFFAOYSA-N	370.415	4.824	5	40	FJBB	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1	408993957	DWBXRYCYAMPRJI-ROILNYFKSA-N	365.389	4.800	5	40	FJBB	
O=C(c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	4718892	VARRMPLWXUVENV-UHFFFAOYSA-N	364.313	4.526	5	40	FJBB	
CCc1ccc([C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)C)cc1	57568048	VXOBDGIKXZOOQG-HXUWFJFHSA-N	370.449	4.511	5	40	FJBB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1Cl	218125076	SDVBARJHDQDLAW-MRXNPFEDSA-N	374.824	4.589	5	40	FJBB	
CCN(CC)CCNc1ccc(C)c2sc3cc(C)ccc3c(=O)c12	4522808	KUPPLRFKZUGBLS-UHFFFAOYSA-N	354.519	4.785	5	40	FJBB	
Cc1nc(-c2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cs1	408622472	QPBLDMFBMQJSHE-UHFFFAOYSA-N	353.403	4.587	5	40	FJBB	
O=C1Nc2ccccc2S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	2347972	SRESPCIDFYZRRM-WOJGMQOQSA-N	364.382	4.940	5	40	FJBB	
CCCCOc1ccc(C(=O)OCC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1	4029010	GIPROSSJUFZWHQ-VBLFYTBKSA-N	374.545	4.822	5	40	FJBB	
O=C(Nc1ccccc1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1	408999136	KKSBDDQCQOGKPC-UHFFFAOYSA-N	353.385	4.908	5	40	FJBB	
C[C@H]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1	4079237	ZORCZIXAOGISJQ-VIFPVBQESA-N	373.459	4.643	5	40	FJBB	
COc1ccc(C(=O)[C@@H](C[N+]2(C)CCCCCC2)c2ccccc2)cc1	4769634	FZCSKIYYZPRLTO-QFIPXVFZSA-N	352.498	4.682	5	40	FJBB	
Cc1c(NC(=O)c2cccc(OCc3ccccc3)c2)cccc1[N+](=O)[O-]	19164750	SCTQIYCDEZWLIN-UHFFFAOYSA-N	362.385	4.735	5	40	FJBB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	409334008	GPYHEYPIPXDYRX-GPQGAXSRSA-N	365.389	4.800	5	40	FJBB	
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1F	5869296	ZYBJPONCVRWWBU-ZRDIBKRKSA-N	352.321	4.646	5	40	FJBB	
O=[N+]([O-])c1ccc(COc2ccc(-c3cnc4ccccc4n3)cc2)cc1	5025661	YXOYANPYGXULGO-UHFFFAOYSA-N	357.369	4.784	5	40	FJBB	
Cc1c(NC(=O)c2ccccc2CCc2ccccc2)cccc1[N+](=O)[O-]	13688362	TZJRGNIFKWXYDI-UHFFFAOYSA-N	360.413	4.941	5	40	FJBB	
CN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1	13712635	RJUKCEWIGYCPTF-NRFANRHFSA-N	356.385	4.608	5	40	FJBB	
CC1CCN(C(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)CC1	109156929	RUYAAKZXBXNEDI-UHFFFAOYSA-N	359.433	4.528	5	40	FJBB	
O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21	408992577	ANWJVUOCJYXJBH-OHUKFJGISA-N	364.401	4.590	5	40	FJBB	
Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)ccc1[N+](=O)[O-]	7725331	NUZXRAGLWKVWLZ-UHFFFAOYSA-N	372.384	4.699	5	40	FJBB	
CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl	8907703	BWSXRUVMRKPBPS-UHFFFAOYSA-N	355.177	4.553	5	40	FJBB	
O=C(Nc1cccc(COc2cccc(F)c2)c1)c1ccccc1[N+](=O)[O-]	31398663	QHBRLNIEMWVDSO-UHFFFAOYSA-N	366.348	4.565	5	40	FJBB	
C[C@H]1CCCCN1c1cc(NC(=O)c2ccccc2)c(Cl)cc1[N+](=O)[O-]	72229105	ZNVQRAWEIJKQBU-ZDUSSCGKSA-N	373.840	4.879	5	40	FJBB	
O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cc2ccccc2[nH]1	5530786	HVQUGCNYDVIMKM-UHFFFAOYSA-N	369.376	4.785	5	40	FJBB	
Cc1c(NC(=O)CCc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-]	225351968	KTTZECJYTJDSHP-UHFFFAOYSA-N	353.205	4.781	5	40	FJBB	
CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1C	225763472	LNFJDEJWQFTTCW-FQEVSTJZSA-N	368.433	4.578	5	40	FJBB	
Cc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)c([N+](=O)[O-])c1	408622636	PWXDOPVMSPOKPD-UHFFFAOYSA-N	368.433	4.968	5	40	FJBB	
Cc1cc2c(c3oc(=O)c4ccccc4c13)CN(c1ccc(F)cc1)CO2	2199616	FNJSTZHFNUBUMK-UHFFFAOYSA-N	361.372	4.750	5	40	FJBB	
CC(C)(Oc1ccc(Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1	2497415	JAUYUHSKSJCEKE-UHFFFAOYSA-N	359.769	4.612	5	40	FJBB	
CCc1ccccc1Nc1nc(C)c([N+](=O)[O-])c(N(C)c2ccccc2)n1	4714178	VILKCUSIRVSYHI-UHFFFAOYSA-N	363.421	4.767	5	40	FJBB	
Cc1c(C(=O)N(CCc2ccccc2)Cc2ccccc2)cccc1[N+](=O)[O-]	12998883	LAZASOWXFCNILK-UHFFFAOYSA-N	374.440	4.788	5	40	FJBB	
O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@@H]3C[C@@H](c4ccccc4)NN32)c1	19171694	JHBBRCDFRDNVNA-JAXLGGSGSA-N	373.412	4.679	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCCCCC2)cc1	38859754	FYPOKKORDJVJQZ-UHFFFAOYSA-N	367.449	4.532	5	40	FJBB	
O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1[N+](=O)[O-]	1097892	OZHCSTRHRJNZPI-NRFANRHFSA-N	371.396	4.586	5	40	FJBB	
S=C(NCCC1=CCCCC1)Nc1cc2ncccc2c2cccnc12	33786685	QEJUAXRYXQSKDP-UHFFFAOYSA-N	362.502	4.960	5	40	FJBB	
CC(=O)c1ccc(NC(=S)Nc2cc3cccnc3c3cccnc23)cc1	104376580	CBPOGSFNEDKGKR-UHFFFAOYSA-N	372.453	4.795	5	40	FJBB	
CC(C)C(NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)C(C)C	408922415	APAHACINWFLXLP-XSFVSMFZSA-N	366.461	4.932	5	40	FJBB	
CN(C(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1)c1ccccc1	408977160	VQFYVFYGUUGIRX-UHFFFAOYSA-N	352.397	4.541	5	40	FJBB	
O=[N+]([O-])c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1	3018519	XKMBUVLLFKQQJD-UHFFFAOYSA-N	372.340	4.780	5	40	FJBB	
CC1=C[C@@H](C)[C@H](CN(CCC[N+](C)(C)C)C(=O)Nc2ccccc2)[C@@H](C)C1	4424821	BUAJNOTVFDETEE-URVUXULASA-O	372.577	4.855	5	40	FJBB	
Cc1cc(C)cc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1	4682096	ZZIDUQYNCDFYPF-UHFFFAOYSA-N	373.459	4.552	5	40	FJBB	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=S)Nc1ccc([N+](=O)[O-])cc1	7561157	IBWHJOYROQUCMZ-AWEZNQCLSA-N	355.463	4.592	5	40	FJBB	
CC(C)n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1F	8389411	BGALVIOBFNAXSH-UHFFFAOYSA-N	372.425	4.866	5	40	FJBB	
O=C(O[C@@H](c1ccccc1)c1ccccn1)c1ccc([N+](=O)[O-])cc1Cl	12526659	TWRZLMGBCXMNDG-SFHVURJKSA-N	368.776	4.590	5	40	FJBB	
O=C(NC1CCCCC1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	168760291	BCCWXTMJRMLECJ-HMMYKYKNSA-N	350.418	4.584	5	40	FJBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1c(Cl)ccc(Cl)c1Cl	3316313	FGVNWILUSJNELL-UHFFFAOYSA-N	360.580	4.912	5	40	FJBB	
O=C(Nc1cccc2ccccc12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	4677155	IXSGXEMTADXXCL-UHFFFAOYSA-N	361.401	4.601	5	40	FJBB	
O=[N+]([O-])c1cccc2nc(/C=C/c3c(Cl)nc4sccn34)ccc12	6509744	UXXGTQCKVAAROP-FNORWQNLSA-N	356.794	4.676	5	40	FJBB	
CCCCCc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1Cl	2351935	UWEWBTUDCSKXDG-UHFFFAOYSA-N	371.824	4.680	5	40	FJBB	
O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(-c2ccco2)nc2ccccc12	3350374	UAKAOXJFNUTWME-UHFFFAOYSA-N	374.352	4.760	5	40	FJBB	
Cc1nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)no1	45438542	PPWQGGDFLUCBAC-UHFFFAOYSA-N	365.267	4.764	5	40	FJBB	
CCOc1ccc(C(=O)Cc2cc3cc4ccccc4cc3oc2=O)cc1	59474342	YEIIQQHUCHVIBF-UHFFFAOYSA-N	358.393	4.770	5	40	FJBB	
Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc([N+](=O)[O-])c1)c1cccnc1	1448694	VWMRPZNJWHSSFH-NRFANRHFSA-N	358.401	4.981	5	40	FJBB	
Cc1nc2oc3cc4ccccc4cc3c(=O)c2c2nc3ccccc3n12	5209233	KNOVEAXTYTYEAU-UHFFFAOYSA-N	351.365	4.604	5	40	FJBB	
C[C@H]1Cc2ccccc2N1C(=O)Nc1cc2ccncc2c2ncccc12	408973946	CWLCYKGPSZUKLV-AWEZNQCLSA-N	354.413	4.766	5	40	FJBB	
O=c1c2ccccc2oc2cc(OCc3cccc(Cl)c3)cc(O)c12	5442494	MUDJQTIMRVLSGY-UHFFFAOYSA-N	352.773	4.884	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCCC[C@]21c1ccccc1	84525233	GVICDQOKORSRKS-UZLBHIALSA-N	351.406	4.528	5	40	FJBB	
O=[N+]([O-])c1cc(F)c(N2CCC[C@H]2c2nc3ccccc3s2)c(F)c1	97229452	QUELEQDOSBKNLZ-AWEZNQCLSA-N	361.373	4.824	5	40	FJBB	
CC1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1	6348800	UMFCEXSDZPRULZ-UHFFFAOYSA-N	373.840	4.737	5	40	FJBB	
Cc1ccc([C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	20040242	VGQAWQKVCOUXMN-LJJIPZOBSA-N	372.424	4.822	5	40	FJBB	
CC1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1	6348809	JUMMRAZWXJJNCF-UHFFFAOYSA-N	373.840	4.737	5	40	FJBB	
Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1	30855847	MHGMHPKKLQLLKY-CYBMUJFWSA-N	362.813	4.579	5	40	FJBB	
CCc1ccc2oc(Nc3nc4c([N+](=O)[O-])cc(OC)cc4s3)nc2c1	57352596	OUOYGIYOHXBVOH-UHFFFAOYSA-N	370.390	4.660	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CO)c1cccc(Cl)c1Cl	595827271	BGBKMRVPNYRXDZ-ZBEGNZNMSA-N	369.248	4.594	5	40	FJBB	
O=c1c2ccccc2oc2cc(OCc3ccc(F)cc3F)cc(O)c12	5443046	PZFIKLKAAHFSPK-UHFFFAOYSA-N	354.308	4.509	5	40	FJBB	
O=C(O)CC/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	33719114	BYLOOVVAVCJDDJ-QBFSEMIESA-N	354.387	4.610	5	40	FJBB	
C[C@@H](Nc1cccc2c1CCCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	52712416	BZORJJIXTSUQCM-CYBMUJFWSA-N	364.405	4.697	5	40	FJBB	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	223119531	YTQCNBKBMLUOCR-HNNXBMFYSA-N	356.422	4.741	5	40	FJBB	
Cc1ccc(NC(=O)OCCSc2ccc(Cl)cc2)c([N+](=O)[O-])c1	5328944	XROGRIFXAWKBIC-UHFFFAOYSA-N	366.826	4.897	5	40	FJBB	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1	12986665	HRAHIDOUGZOOCK-ZDUSSCGKSA-N	370.430	4.653	5	40	FJBB	
COc1cccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)c1	408975759	MUHVWJHOBTXJCC-UHFFFAOYSA-N	368.396	4.525	5	40	FJBB	
COc1ccc(OC)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)O[C@H]1CCCC[C@H]21	6668163	MXJZASFYLXWVPX-CKJXQJPGSA-N	369.417	4.758	5	40	FJBB	
COc1cccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)c1	9087520	HKRNSYGZMDCKGV-UHFFFAOYSA-N	372.384	4.957	5	40	FJBB	
CCC1(CC)C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2O1	225601618	TWWKOOALLMFYIR-KRWDZBQOSA-N	368.433	4.716	5	40	FJBB	
Cc1cccc2nc(-c3ccc([N+](=O)[O-])cc3)c(NC3CCCCC3)n12	13564913	KHTJCEBCFXRLEG-UHFFFAOYSA-N	350.422	4.963	5	40	FJBB	
Cc1csc(N(C(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)n1	14586877	DLSQZHOQWARWED-UHFFFAOYSA-N	353.403	4.647	5	40	FJBB	
C[C@H](SC1=Nc2ccccc2CS1)C(=O)Nc1cccc([N+](=O)[O-])c1	22022017	UUGSZRQTFUZFSX-NSHDSACASA-N	373.459	4.590	5	40	FJBB	
O=C(Oc1ccc(C2CCCCC2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2748757	FVROKSFWSJBMRT-UHFFFAOYSA-N	370.361	4.770	5	40	FJBB	
Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cccc1-c1nc2ccccc2o1	4673275	QNLJOGQPUUKCJP-UHFFFAOYSA-N	373.368	4.964	5	40	FJBB	
Cc1ccc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2cccs2)cc1	12870372	NGTICTSMZFLIKK-GOSISDBHSA-N	367.430	4.876	5	40	FJBB	
CC[N+](C)(C)CCc1cc(OC)c(OC)cc1/C=C/c1ccc(OC)cc1	2096588	AOFKLJJEJSFOQT-DHZHZOJOSA-N	370.513	4.522	5	40	FJBB	biogenic
Cc1ccc(-c2noc(-c3cc4c(ccc5ccccc54)oc3=O)n2)cc1	9431154	ZIXDHGPPXQGWEC-UHFFFAOYSA-N	354.365	4.972	5	40	FJBB	
CC[N+](CC)(CC)CCCN[C@H](c1ccccc1)C(Cl)(Cl)Cl	31938835	ROHSEOQPFZZRSJ-MRXNPFEDSA-N	366.784	4.954	5	40	FJBB	
CCSC(=O)Nc1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F	1395589	YDBVJSLELORBGC-UHFFFAOYSA-N	368.336	4.645	5	40	FJBB	
COc1ccc(OCCn2c3ccccc3c3nc4ccccc4nc32)cc1	1452073	YYSLSHOHRJDJKJ-UHFFFAOYSA-N	369.424	4.825	5	40	FJBB	
O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc([N+](=O)[O-])s1	4069875	BIIVTHDQDQGCIR-UHFFFAOYSA-N	355.400	4.672	5	40	FJBB	
O=[N+]([O-])c1ccc(NCCSCc2ccccc2F)c2ccncc12	22809638	UJWJBMYBTAGMBM-UHFFFAOYSA-N	357.410	4.627	5	40	FJBB	
C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1	4571483	KYUPAQPDTNATGZ-OUSHVWPESA-N	369.446	4.551	5	40	FJBB	
C[C@@H](O)c1cccc(Oc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1	58183458	YRBYAZGMMTZCGI-CQSZACIVSA-N	363.369	4.671	5	40	FJBB	
COc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408617681	DFKDHUXEGPRZNQ-UHFFFAOYSA-N	372.764	4.769	5	40	FJBB	
O=C(Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1)c1ccccc1Cl	1453041	FPGWJNAYRRFLTA-UHFFFAOYSA-N	373.821	4.548	5	40	FJBB	
O=C(Nc1cc2cccnc2c2ncccc12)N1CC[C@@H](c2ccccc2)C1	6496105	BKGBIIRVLWDYSG-GOSISDBHSA-N	368.440	4.804	5	40	FJBB	
C[C@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1	7750809	SAWKGVPJNXQNAZ-LBPRGKRZSA-N	370.792	4.999	5	40	FJBB	
O=[N+]([O-])c1ccc2[nH]c(SCc3cccc(C(F)(F)F)c3)nc2c1	16398752	FVPYMRJDOTZWIS-UHFFFAOYSA-N	353.325	4.782	5	40	FJBB	
O=[N+]([O-])c1cc2c(cc1/C=C/c1ccccc1)[C@@H](O)[C@@H](c1ccccc1)N2	3845003	ITOQIWZOAQFVLF-CXYUPCIPSA-N	358.397	4.965	5	40	FJBB	
Cc1ccccc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1	22517389	NASZWAQJEGRVET-NRFANRHFSA-N	360.413	4.731	5	40	FJBB	
O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])cc2Cl)c1)c1ccco1	25571228	HMZDZSQQBVWQSH-UHFFFAOYSA-N	371.780	4.706	5	40	FJBB	
CCOP(=O)(OCC)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1	3897030	STNMZCHFTBZXMX-KRWDZBQOSA-N	364.338	4.972	5	40	FJBB	
Cc1cc(C)cc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)c1	4108180	HZDXNJRIGGFCJC-UHFFFAOYSA-N	358.397	4.519	5	40	FJBB	
O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccccc1[N+](=O)[O-]	10120051	OBCRXMVJTRIDRW-UHFFFAOYSA-N	373.368	4.579	5	40	FJBB	
Cc1nc2c(cc(OC(=O)c3cccc([N+](=O)[O-])c3)c3ccsc32)s1	7007453	OFCMXSOYCJLRBZ-UHFFFAOYSA-N	370.411	4.947	5	40	FJBB	
O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(Cl)c1	1685956	XAAVSTBVPMYTOM-UHFFFAOYSA-N	362.647	4.968	5	40	FJBB	
CC(C)NC(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1	6245569	ZCNBTPKEHXPICP-UHFFFAOYSA-N	352.488	4.693	5	40	FJBB	
Cc1noc([C@H](C)Sc2nc3ccccc3c3nc4ccccc4n23)n1	12535702	CNPJCVQLWWEWHN-NSHDSACASA-N	361.430	4.580	5	40	FJBB	
CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(N)c([N+](=O)[O-])c1	584906142	HHPYJCDBNRODOQ-UHFFFAOYSA-N	374.853	4.613	5	40	FJBB	
CC(=O)Oc1cn(C2CCCCC2)c2nc(C)n3c4ccccc4nc3c12	6161060	CVCZKENLBDRXSW-UHFFFAOYSA-N	362.433	4.576	5	40	FJBB	
Nc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1	6756911	LFWFPMQEXRJVLJ-UHFFFAOYSA-N	350.399	4.559	5	40	FJBB	
Cc1cccc(-c2noc(-c3ccc(NC4CCCC4)c([N+](=O)[O-])c3)n2)c1	8587141	VKTJEEFHOGFAHM-UHFFFAOYSA-N	364.405	4.975	5	40	FJBB	
Oc1cc(C(F)(F)F)nc2c3ncccc3c3nc4ccccc4nc3c12	8628797	MQPRZWVXENHHJN-UHFFFAOYSA-N	366.302	4.604	5	40	FJBB	
C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(F)cc1F	15813421	DWLRKDRPGRVBRC-SECBINFHSA-N	362.357	4.579	5	40	FJBB	
C[C@H]1CCCCN1c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	408629033	IQAHBNVATLCYSQ-ZDUSSCGKSA-N	373.840	4.879	5	40	FJBB	
COc1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1	21595563	XBGHQUDUSBYBOT-UHFFFAOYSA-N	362.794	4.724	5	40	FJBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N1c2ccccc2CCc2ccccc21	39448925	NVYPPGUTXZRALB-UHFFFAOYSA-N	358.397	4.601	5	40	FJBB	
CCC1(CC)O[C@H]2c3cc([N+](=O)[O-])ccc3O[C@H](C)N2c2ccccc21	5092258	VCQQTGZTHRRFRJ-YJYMSZOUSA-N	354.406	4.884	5	40	FJBB	
Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1cccc([N+](=O)[O-])c1	19901701	JYBSPTOJWABJNP-NRFANRHFSA-N	358.401	4.981	5	40	FJBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCc2sccc2[C@H]1c1cccs1	7946924	QAFJEVDZLILBRZ-KRWDZBQOSA-N	370.455	4.506	5	40	FJBB	
Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)ccc1[N+](=O)[O-]	7967320	XXMYNIMIUPIHNA-UHFFFAOYSA-N	371.393	4.727	5	40	FJBB	
Cc1c(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-]	14665193	ZUMYRFNFISPMAL-AWEZNQCLSA-N	356.422	4.607	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)o1	409018891	YAPHTAQBFAORMQ-CXUHLZMHSA-N	372.402	4.608	5	40	FJBB	
Cc1ccc(-c2cnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)c(C)c1	862611	HAMNDDNKVXEXTF-UHFFFAOYSA-N	353.403	4.587	5	40	FJBB	
CCOc1ccc(NC(=S)Nc2cc3ncccc3c3cccnc23)cc1	6712498	ZZKZNROLYXJNAG-UHFFFAOYSA-N	374.469	4.991	5	40	FJBB	
Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1[N+](=O)[O-]	13946165	JJCLCVSCKPWAQI-UHFFFAOYSA-N	372.384	4.699	5	40	FJBB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	408996787	NCVGXSIZVDRGMS-GPQGAXSRSA-N	364.401	4.590	5	40	FJBB	
COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	2272015	VDJJFQFOSNBBTO-ACCUITESSA-N	364.357	4.515	5	40	FJBB	
CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])c(C)c1	6243093	NWTDXHFYKJGPEA-GFCCVEGCSA-N	371.462	4.544	5	40	FJBB	
Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1	7889430	NTTFFXVPXXBXMR-OAQYLSRUSA-N	373.412	4.670	5	40	FJBB	
CCOc1cc(C=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	4739426	HZGIQSZZRPAQPM-UHFFFAOYSA-N	355.268	4.617	5	40	FJBB	
O=[N+]([O-])c1cccc(CSCc2nc(-c3cccc(Cl)c3)no2)c1	32778657	NFQPTTISXZWBCK-UHFFFAOYSA-N	361.810	4.732	5	40	FJBB	
CC[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc([N+](=O)[O-])c1	1596358722	ORXDCSTUMZETEX-OAHLLOKOSA-N	357.797	4.611	5	40	FJBB	
CN1c2ccccc2C(C)(C)[C@]12C=Nc1c(ccc3cc([N+](=O)[O-])ccc13)O2	4624537	WMTKWGIAGGCKSS-JOCHJYFZSA-N	373.412	4.967	5	40	FJBB	
O=[N+]([O-])c1cc(C(F)(F)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl	2566569	HNHPMNUNYACESB-UHFFFAOYSA-N	363.103	4.950	5	40	FJBB	
Cc1ccc(CCN(Cc2csc([N+](=O)[O-])c2)CC(F)(F)F)cc1	76089671	WCHHPMMKHCXJGF-UHFFFAOYSA-N	358.385	4.572	5	40	FJBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc2c(Cl)cccc2s1	3208962	XHSAKAQFBHNFQX-RMKNXTFCSA-N	359.794	4.510	5	40	FJBB	
CC1CCN(C(=O)c2ccc3sc4nc5ccccc5nc4c3c2)CC1	408974762	DNXYIROHIZJQLN-UHFFFAOYSA-N	361.470	4.870	5	40	FJBB	
O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(Oc2ccccc2)cc1	408712884	YVHDIEVVXNTWQX-UHFFFAOYSA-N	350.330	4.829	5	40	FJBB	
CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C	223018990	FJUCHWURZQBCHO-QGZVFWFLSA-N	362.813	4.661	5	40	FJBB	
CC(C)Oc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1	72229468	ZXQQSHGXOQFMHP-UHFFFAOYSA-N	369.204	4.941	5	40	FJBB	
C[C@H]([C@H](O)c1ccc2cc(Br)c3ccccc3c2c1)N(C)C	1676784	UNLWTAFIHVOCIF-BLVKFPJESA-N	358.279	4.739	5	40	FJBB	
O=[N+]([O-])c1ccc(Cl)c(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c1	2153960	ZGBMWTIQGVOMDQ-UHFFFAOYSA-N	369.686	4.984	5	40	FJBB	
O=[N+]([O-])c1ccc2c(c1)nc(-c1ccccc1O)n2CCc1ccccc1	72411031	CBGGHTZDISHQQG-UHFFFAOYSA-N	359.385	4.560	5	40	FJBB	
O=[N+]([O-])c1ccc(-c2nnc(COc3ccc(Cl)cc3Cl)o2)cc1	7890973	SQVDUTGLMCNIBL-UHFFFAOYSA-N	366.160	4.531	5	40	FJBB	
CC(=O)c1cc(C)ccc1OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	33618045	LXOLSTXOHJNLTG-UHFFFAOYSA-N	365.341	4.585	5	40	FJBB	
Cc1cccc(C(=O)Nc2cc(N3CCCCC3)c([N+](=O)[O-])cc2Cl)c1	72229096	LHCYSACMIFXNAN-UHFFFAOYSA-N	373.840	4.799	5	40	FJBB	
O=[N+]([O-])c1cc(-c2nc(-c3ccccc3C(F)(F)F)no2)ccc1Cl	89262436	OJYOTYBEZIUFNN-UHFFFAOYSA-N	369.686	4.984	5	40	FJBB	
O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)c2ccccn2)c2ccncc12	25371481	UDXYCNCNHOZPGC-NRFANRHFSA-N	356.385	4.740	5	40	FJBB	
Cc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-]	409203427	XXJUJKXNFZXJEC-OVCLIPMQSA-N	374.805	4.798	5	40	FJBB	
O=c1c2ccccc2oc2nc(-c3ccccc3)n3c4ccccc4nc3c12	5206225	FKLCKGSZTUOEML-UHFFFAOYSA-N	363.376	4.809	5	40	FJBB	
COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C(C)C	223265928	BFTOXYZWWPBGOR-OAHLLOKOSA-N	370.449	4.835	5	40	FJBB	
Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3)nc2c1	225262972	BDEDYFWPSARJPO-UHFFFAOYSA-N	372.384	4.699	5	40	FJBB	
C[C@H]1CCCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1	62926658	RZQBNUNKYAPQRS-LBPRGKRZSA-N	362.813	4.770	5	40	FJBB	
CN(C)C(=O)Oc1ccc(-c2ccccc2)cc1C[N+]1(C)CCCCC1	1666346	FUUZIJQMUHZKHR-UHFFFAOYSA-N	353.486	4.545	5	40	FJBB	
O=C(Nc1ccccc1OC(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])o1	19165030	JBHKTOBUWAHDEB-UHFFFAOYSA-N	374.299	4.709	5	40	FJBB	
O=[N+]([O-])c1ccc2sc(/C=C/c3cc(Cl)c4c(c3)OCCO4)nc2c1	15583032	DEAFRUZZUYWUAD-DAFODLJHSA-N	374.805	4.800	5	40	FJBB	
Cc1ccc(C(=O)Nc2cc(N3CCCCC3)c([N+](=O)[O-])cc2Cl)cc1	72229094	IGHNWJURNUYUEK-UHFFFAOYSA-N	373.840	4.799	5	40	FJBB	
Cc1sc2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc(O)c2c1C	408734762	JIDNQSWVFOYMIZ-UHFFFAOYSA-N	367.386	4.849	5	40	FJBB	
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(Cl)c1	1518224	GKLTVDNNOPILNG-UHFFFAOYSA-N	359.794	4.624	5	40	FJBB	
Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(CCc1ccccc1)CO2	19890881	XQIKALUNLTWGOV-UHFFFAOYSA-N	371.436	4.649	5	40	FJBB	biogenic
Cc1cccc(COc2ccc(/C=C\c3onc(C)c3[N+](=O)[O-])cc2)c1	408543206	NOMIHUYYIOPDEB-FLIBITNWSA-N	350.374	4.949	5	40	FJBB	
CCOc1ccc(NC(=S)Nc2cc3ccncc3c3ncccc23)cc1	408977538	WNKXLPZVHDYPGF-UHFFFAOYSA-N	374.469	4.991	5	40	FJBB	
CCOC(=O)c1cnc2c(CC)cccc2c1Nc1cccc([N+](=O)[O-])c1	955148	ZTAUWCXPVPAAID-UHFFFAOYSA-N	365.389	4.626	5	40	FJBB	
Cc1ccc(Sc2ccc(C(=O)Nc3nccs3)cc2[N+](=O)[O-])cc1	13137638	SJOWZLWDHPJVSL-UHFFFAOYSA-N	371.443	4.763	5	40	FJBB	
COc1ccc(-c2cc([N+](=O)[O-])ccc2OC[C@@H]2CC2(Cl)Cl)cc1	23075112	WADRDFVFJHCXIU-LBPRGKRZSA-N	368.216	4.843	5	40	FJBB	
Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1C	2059640	QCEXGCNUGABTFO-OAQYLSRUSA-N	373.412	4.983	5	40	FJBB	
CCOP(=O)(OCC)[C@H](Nc1cccc([N+](=O)[O-])c1)c1ccccc1	2347208	PPUIQPHUSHPJKF-KRWDZBQOSA-N	364.338	4.972	5	40	FJBB	
Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccccc3Cl)nc12	13643580	YFPAZZINCVGEHF-UHFFFAOYSA-N	365.849	4.824	5	40	FJBB	
CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1C	30852239	NWXWNPXUEGQYII-LJQANCHMSA-N	364.401	4.853	5	40	FJBB	
COc1cccc(-c2cc(C(=O)O)c3cc4ccccc4cc3n2)c1OC	1766684	NHUNVVXAHAGUTO-UHFFFAOYSA-N	359.381	4.770	5	40	FJBB	
Cc1ccccc1-c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2o1	830421	BSQPTKREEWTGEY-UHFFFAOYSA-N	363.329	4.557	5	40	FJBB	
COc1ccc2[nH]c(Sc3cc(C(F)(F)F)ccc3[N+](=O)[O-])nc2c1	5489949	SKCKHDSUZJCGIC-UHFFFAOYSA-N	369.324	4.650	5	40	FJBB	
O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl	10542610	PAOVIUQLUYNDKL-UHFFFAOYSA-N	360.797	4.822	5	40	FJBB	
O=c1cc(CSc2ccc(Cl)nn2)c2c(ccc3ccccc32)o1	10653475	SQGYCQZGWVHNBD-UHFFFAOYSA-N	354.818	4.682	5	40	FJBB	
O=C(O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21	408995139	JKIOSEDDFSQJOL-WIOUJZMWSA-N	364.401	4.590	5	40	FJBB	
O=[N+]([O-])c1cc(Cl)c(N2CCc3ccccc32)c(Br)c1	252482471	DGJXERVQCOENQT-UHFFFAOYSA-N	353.603	4.705	5	40	FJBB	
CCCCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCC	408621654	PAKXLWZQUFIANK-UHFFFAOYSA-N	372.421	4.733	5	40	FJBB	
Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)ccc1[N+](=O)[O-]	824712	GASSSFNVSQUSOA-UHFFFAOYSA-N	373.368	4.964	5	40	FJBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1c(Cl)cccc1Cl	12904151	AZPNOYYWQNFNFR-NSHDSACASA-N	367.232	4.664	5	40	FJBB	
O=C(Nc1cccc(Cl)c1Cl)C1(c2ccc([N+](=O)[O-])cc2)CC1	225991068	SHMDHZNWCWJJPJ-UHFFFAOYSA-N	351.189	4.572	5	40	FJBB	
Cc1cccc2c(=O)c3c(O)cc(OCc4ccccc4F)cc3oc12	5266824	PNQNYFNZUGMQDX-UHFFFAOYSA-N	350.345	4.678	5	40	FJBB	
Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1	6185479	GTIUHJJNMNHQQL-UHFFFAOYSA-N	373.821	4.932	5	40	FJBB	
O=[N+]([O-])c1cccc2ccc(/C=C/c3cnn(Cc4ccccc4)c3)nc12	48300206	ZDYYCQWJKQQDCE-PKNBQFBNSA-N	356.385	4.558	5	40	FJBB	
O=[N+]([O-])c1ccc(O)cc1CN(Cc1c(Cl)cccc1Cl)C1CC1	1654381996	FKXFQMGHRYBRJP-UHFFFAOYSA-N	367.232	4.772	5	40	FJBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1	5034797	UHYOJMDULJGSOG-UHFFFAOYSA-N	373.368	4.964	5	40	FJBB	
CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc2c(c1)CCCC2	170231425	JZWGKAYJRZFROR-LJQANCHMSA-N	352.434	4.663	5	40	FJBB	
COc1ccc2nc3cc(Cl)ccc3c(N[C@@H](C)CCCN(C)C)c2n1	1690210	YURMGNZPEHYOAL-ZDUSSCGKSA-N	372.900	4.587	5	40	FJBB	
O=[N+]([O-])c1ccc2c(I)c(-c3ccccc3)oc2c1	26897186	PEPWQLDCQDIASD-UHFFFAOYSA-N	365.126	4.613	5	40	FJBB	
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(F)cc1	409184440	WXACJWMVNVDPAE-UHFFFAOYSA-N	367.332	4.883	5	40	FJBB	
Cc1ccc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1	4420795	YPGWWGBRROBFRV-UHFFFAOYSA-N	355.272	4.882	5	40	FJBB	
CCCCOc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	5309452	GVGNLMNPWSHMHT-UHFFFAOYSA-N	371.418	4.636	5	40	FJBB	
CCc1ccc(-c2noc(CSCc3cccc([N+](=O)[O-])c3)n2)cc1	32778656	PQYGZINSYSRRER-UHFFFAOYSA-N	355.419	4.641	5	40	FJBB	
Cc1cc2nc(SCc3c[nH]c4cc([N+](=O)[O-])ccc34)[nH]c2cc1C	59472546	QCAKYFVGGIWQMY-UHFFFAOYSA-N	352.419	4.862	5	40	FJBB	
CCc1cc(Oc2ccc(C(C)=O)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1	64904415	WLSLYDRFGVZXLG-UHFFFAOYSA-N	363.373	4.609	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCCC[C@@]21c1ccccc1	84525234	GVICDQOKORSRKS-OXQOHEQNSA-N	351.406	4.528	5	40	FJBB	
O=Cc1nc(Br)c(-c2c3ccccc3cc3ccccc23)[nH]1	1857794684	HDRNGRVPNSLCPH-UHFFFAOYSA-N	351.203	4.958	5	40	FJBB	
O=C(Nc1cccc2ncccc12)C1(c2ccc([N+](=O)[O-])cc2)CCCC1	9485133	DGNXNERYWFEFSR-UHFFFAOYSA-N	361.401	4.594	5	40	FJBB	
O=[N+]([O-])c1c(Oc2ccc3ccc(C(F)(F)F)nc3c2)nc2ccccn12	65551900	KMAYVXISNDSKFV-UHFFFAOYSA-N	374.278	4.602	5	40	FJBB	
Cc1c(C(=O)NCc2ccccc2[N+](=O)[O-])oc2c1ccc1ccccc12	89568305	SYLSRTMQALLHGB-UHFFFAOYSA-N	360.369	4.733	5	40	FJBB	
COc1ccc(NC(=S)Nc2cccc3ccccc23)c([N+](=O)[O-])c1	17073172	KFJGZEZGOOWIOJ-UHFFFAOYSA-N	353.403	4.566	5	40	FJBB	
S=C(NCCC1=CCCCC1)Nc1ccc2nc3ccccc3nc2c1	107788929	ZWJCTPRVVLEULF-UHFFFAOYSA-N	362.502	4.960	5	40	FJBB	
CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1C	216209276	AJWLLPDEKSLDFK-FQEVSTJZSA-N	364.401	4.853	5	40	FJBB	
Cc1noc(/C=C\c2ccc(OCCOc3ccccc3)cc2)c1[N+](=O)[O-]	408543296	ORYGWQZYKSVECL-XFXZXTDPSA-N	366.373	4.519	5	40	FJBB	
O=C(Oc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1)C1CCCCC1	994637	OJZSSMSGJIFPSR-UHFFFAOYSA-N	365.389	4.624	5	40	FJBB	
Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1[N+](=O)[O-]	997377	GXAZEJBUNZHKCX-UHFFFAOYSA-N	371.780	4.772	5	40	FJBB	
Cc1ccc(-c2nc(CCNc3ccc([N+](=O)[O-])cc3C)cs2)cc1	4051097	SYPGZDYKRHSAQP-UHFFFAOYSA-N	353.447	4.990	5	40	FJBB	
C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1	32726962	FXPCANOQXYHIMW-TXEJJXNPSA-N	362.813	4.626	5	40	FJBB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)o1	409021782	YCHVYCZZKWCBKM-SXGWCWSVSA-N	372.402	4.608	5	40	FJBB	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCSc2ccc(Cl)cc21	32802033	PEEKYAOCWLGVTB-UHFFFAOYSA-N	369.229	4.654	5	40	FJBB	
O=[N+]([O-])c1c(Oc2ccc(Nc3ccccc3)cc2)nc2sccn12	8308757	XTYLUVSCVKJEOY-UHFFFAOYSA-N	352.375	4.840	5	40	FJBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cc2ccccc2nc1Cl	15549467	IJJZDBQWRIXVTR-CYBMUJFWSA-N	355.825	4.989	5	40	FJBB	
O=C(/C=C/c1ccc(SC(F)(F)F)cc1)Nc1cccc([N+](=O)[O-])c1	15566102	LQYDFWQEVQYBPT-RMKNXTFCSA-N	368.336	4.859	5	40	FJBB	
O=C(Cn1c2ccccc2c2nc3ccccc3nc21)c1ccc(F)cc1	1906934	IFVPAPKTDDCLHV-UHFFFAOYSA-N	355.372	4.760	5	40	FJBB	
Cc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)C(=O)c2ccco2)cc1C	4902414	KUNLTYIHJQLPQO-UHFFFAOYSA-N	350.374	4.652	5	40	FJBB	
CN(C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)C1CCCC1	22523475	PYRSZOHYGYGJLX-HMMYKYKNSA-N	350.418	4.536	5	40	FJBB	
CCCOc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Br	408560263	YGRRKZNUXOCNCB-UHFFFAOYSA-N	365.227	4.758	5	40	FJBB	
Cc1cccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)c1	2122017	IJBOELGFCIPSAB-UHFFFAOYSA-N	357.409	4.920	5	40	FJBB	biogenic
Cc1nc(Oc2ccc([N+](=O)[O-])cc2)c2c3c(sc2n1)C[C@@H](C)CC3	3309665	SGUABDIVSBAORC-JTQLQIEISA-N	355.419	4.825	5	40	FJBB	
Cc1ccc(NC(=O)c2cccnc2SC2CCCC2)cc1[N+](=O)[O-]	55012886	UNMLYRCAFXMZQR-UHFFFAOYSA-N	357.435	4.585	5	40	FJBB	
CC[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1C	218052373	AIRPAMZENFIWFR-LJQANCHMSA-N	372.490	4.712	5	40	FJBB	
O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1ccc([N+](=O)[O-])s1	4264281	STWZONGIILIZKL-UHFFFAOYSA-N	374.230	4.825	5	40	FJBB	
Cc1ccc(N(Cc2cccs2)C(=O)c2cccc([N+](=O)[O-])c2)cc1	11914726	YSGHODAOKJRSIQ-UHFFFAOYSA-N	352.415	4.812	5	40	FJBB	
O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc([N+](=O)[O-])cc1Cl	12875283	HJZTXJKUYIDOJP-INIZCTEOSA-N	365.216	4.783	5	40	FJBB	
O=C(Nc1ccccc1[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1	1443869	LSHAPSDOHJDEKN-CYBMUJFWSA-N	351.189	4.508	5	40	FJBB	
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccs1	6527134	QNRDKOSNRINHBZ-UHFFFAOYSA-N	355.371	4.806	5	40	FJBB	
Cc1cc(N2CCCC2)ccc1-n1c(C)nc2cc3ccccc3cc2c1=O	12594805	BSDYDYHISXLGHO-UHFFFAOYSA-N	369.468	4.756	5	40	FJBB	
O=C(CSc1cccc2cccnc12)Nc1cc(Cl)ccc1[N+](=O)[O-]	5782001	LUBQFUJTFCJKJR-UHFFFAOYSA-N	373.821	4.527	5	40	FJBB	
O=[N+]([O-])c1cc(F)ccc1NC(=S)Nc1cc(Cl)cc(Cl)c1	13840555	ZGCYTMHIZLDBGQ-UHFFFAOYSA-N	360.197	4.850	5	40	FJBB	
CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	20493051	KZZRSPDTOSTRFO-SFHVURJKSA-N	350.374	4.544	5	40	FJBB	
O=C(Nc1ccccc1-c1nc2ccccc2o1)c1ccc([N+](=O)[O-])s1	4135304	UWSOHDSVXKUCDL-UHFFFAOYSA-N	365.370	4.717	5	40	FJBB	
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)s1	3224995	FRRRVWSZLYZZGJ-UHFFFAOYSA-N	365.823	4.686	5	40	FJBB	
COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1	408993509	VWFKRCALKFMJLC-LGMIBIRUSA-N	350.418	4.900	5	40	FJBB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2cc(C)ccc2C)o1	16291023	SABMTMTURYUPOX-UHFFFAOYSA-N	366.373	4.733	5	40	FJBB	
CC(C)COC1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1	55911953	VWRVWIOCOFRVCT-UHFFFAOYSA-N	362.473	4.665	5	40	FJBB	
CCOC(=O)c1c(Cl)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1	831981	SMLRSHCJDNVTRH-UHFFFAOYSA-N	356.765	4.640	5	40	FJBB	
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1	32726959	FXPCANOQXYHIMW-VXGBXAGGSA-N	362.813	4.626	5	40	FJBB	
Cc1cccc(C)c1NC(=O)CSCc1c[nH]c2cc([N+](=O)[O-])ccc12	59459176	WXOHZXRMLDIYAK-UHFFFAOYSA-N	369.446	4.565	5	40	FJBB	
Cc1ccc(C)c2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc12	4331461	OXPANVVPUCSGNC-UHFFFAOYSA-N	361.810	4.727	5	40	FJBB	
O=[N+]([O-])c1ccc2nc(-c3ccc(O)cc3O)cc(-c3ccccc3)c2c1	15454011	RXXDSNFEKWBKPR-UHFFFAOYSA-N	358.353	4.888	5	40	FJBB	
O=C(c1cccs1)N(CCc1ccccc1)c1ccccc1[N+](=O)[O-]	59488866	KWYVYJALZFGYEZ-UHFFFAOYSA-N	352.415	4.546	5	40	FJBB	
Cc1ccc(C23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)cc1[N+](=O)[O-]	100317312	MEJHJEXJWUTGCI-SCQRFTTHSA-N	350.256	4.889	5	40	FJBB	
CCc1cc(NCc2cc3ccccc3[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1	58544040	LGKTYNFKKCDPLI-UHFFFAOYSA-N	373.416	4.708	5	40	FJBB	
CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C	222921667	NCZJSNIUDBTLRZ-LJQANCHMSA-N	370.449	4.997	5	40	FJBB	
COc1ccc(OC)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)O[C@H]1CCCC[C@H]21	6668167	XQYSWHWKNJFTCV-CKJXQJPGSA-N	369.417	4.758	5	40	FJBB	
O=C1C(Nc2ccccc2)=C[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1	100296938	ZVNJNHBRYFLYBW-OAQYLSRUSA-N	371.396	4.679	5	40	FJBB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	247316502	KIYLZWYXEGUEGB-QKQOXNHBSA-N	364.401	4.590	5	40	FJBB	
COc1ccc(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1	5034511	HIMITLPYSOSRKO-UHFFFAOYSA-N	366.373	4.733	5	40	FJBB	
CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1C	20489791	YGIQINYDJKGFGW-IBGZPJMESA-N	364.401	4.853	5	40	FJBB	
COc1ccc(-c2nc3ccccc3nc2Cc2ccccc2[N+](=O)[O-])cc1	28294697	PBJLDNDLZQAZIM-UHFFFAOYSA-N	371.396	4.804	5	40	FJBB	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cl)cc2)CC1	12650802	AISIVRSVPKUCFX-UHFFFAOYSA-N	373.840	4.737	5	40	FJBB	
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(CCc2ccccc2)CC1	12920206	MGXMOWIGBIRCPR-UHFFFAOYSA-N	372.852	4.733	5	40	FJBB	
O=[N+]([O-])c1ccc(Nc2ccc(Br)c(Cl)c2)c([N+](=O)[O-])c1	4578567	QJZOAYYJEPLQJB-UHFFFAOYSA-N	372.562	4.663	5	40	FJBB	
O=c1oc2cc(Oc3c(Cl)cc([N+](=O)[O-])cc3Cl)ccc2s1	5770985	KRYYLYWTKSJTQH-UHFFFAOYSA-N	358.158	4.862	5	40	FJBB	
Cc1ccc(C)c(-c2cnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)c1	811290	QCMWCULVUFYRKC-UHFFFAOYSA-N	353.403	4.587	5	40	FJBB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cc2ccccc2nc1Cl	15549468	IJJZDBQWRIXVTR-ZDUSSCGKSA-N	355.825	4.989	5	40	FJBB	
Cc1ccccc1-c1noc(-c2ccc(NC(C)(C)C)c([N+](=O)[O-])c2)n1	20897621	LGCWYHWECGISMS-UHFFFAOYSA-N	352.394	4.831	5	40	FJBB	
CCC1(CC)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccc2O1	223330628	RGVJPJXNTQBSQL-QGZVFWFLSA-N	368.433	4.716	5	40	FJBB	
O=[N+]([O-])c1ccc([C@H]2[C@H]3C(c4ccccc4)=N[C@@H](c4ccccc4F)N32)cc1	12376098	UGEZQGGLUOBFLF-AZRAODJOSA-N	373.387	4.661	5	40	FJBB	
C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)C)cc1	13675076	YKOMYJJORXXAKT-LULHVWEPSA-N	352.434	4.783	5	40	FJBB	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[N+]1(Cc2ccccc2)CCCC1	252506135	QLVGGLZNWFXOKW-BUZMGHMJSA-N	374.589	4.636	5	40	FJBB	
COc1ccc([C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	1700425	VLMKZMQJNMVWEN-FQEVSTJZSA-N	363.369	4.550	5	40	FJBB	
C[C@@H](CN1COc2ccc3c(oc(=O)c4ccccc43)c2C1)c1ccccc1	20610275	POQSACZRRWWITL-INIZCTEOSA-N	371.436	4.902	5	40	FJBB	biogenic
O=C(O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21	408995138	JKIOSEDDFSQJOL-RJYYBVGHSA-N	364.401	4.590	5	40	FJBB	
CCCOc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)cc1OCCC	22815708	GBBRBWCHIPYJRF-AWEZNQCLSA-N	359.426	4.741	5	40	FJBB	
O=C(CSc1nc2cc([N+](=O)[O-])ccc2s1)c1ccc(Cl)cc1	96306360	UDNJCLQUYGYVLX-UHFFFAOYSA-N	364.835	4.833	5	40	FJBB	
Cc1cc(-c2ccc(Cl)cc2)nc(Sc2ccc([N+](=O)[O-])cn2)n1	409386736	XDTPXISJCHIJDX-UHFFFAOYSA-N	358.810	4.560	5	40	FJBB	
CCN(CC)C[C@H](OC(C)=O)c1ccc2ccc3ccc(O)cc3c2c1	1594889	GUNDBCMWZJKUBG-QFIPXVFZSA-N	351.446	4.645	5	40	FJBB	
Cc1nc2oc3c(ccc4ccccc43)c(=O)c2c2nc3ccccc3n12	5209194	IXHMQCZSTNTYAW-UHFFFAOYSA-N	351.365	4.604	5	40	FJBB	
COc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc(Cl)c1O	6831942	IGDCGMRRNCONGQ-FNORWQNLSA-N	356.765	4.681	5	40	FJBB	
[O-][n+]1c(/C=C/c2ccccc2)n(O)c2c3ccccc3c3ccccc3c21	6863944	WROIMXBUKHPEFD-CCEZHUSRSA-N	352.393	4.989	5	40	FJBB	
CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1	8203123	DRIRVGMWCBVYST-UHFFFAOYSA-N	374.853	4.819	5	40	FJBB	
CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc2ccccc2c1	65242501	UZEHKOZKCYNDCH-UHFFFAOYSA-N	374.400	4.825	5	40	FJBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)Cc1ccco1	16742564	YTVVTCLWNAONCM-UHFFFAOYSA-N	370.792	4.684	5	40	FJBB	
Cc1ccc(N2C(=O)Cc3ccccc3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	70503633	QTWODZHSKJWAGO-QFIPXVFZSA-N	358.397	4.582	5	40	FJBB	
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccc(Br)c1	116223932	VNNKLAIVSWCQAB-UHFFFAOYSA-N	369.602	4.571	5	40	FJBB	
CCCC(CCC)C(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1	4108211	VZVGTEHLOIHTES-UHFFFAOYSA-N	352.434	4.805	5	40	FJBB	
CCCCCCNc1cc(NCc2ccccc2)c([N+](=O)[O-])c2nonc12	4936097	IHVYOXWREVOCHO-UHFFFAOYSA-N	369.425	4.735	5	40	FJBB	
O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1[N+](=O)[O-]	6863728	WEVPXHNYSDUKNE-UHFFFAOYSA-N	359.794	4.624	5	40	FJBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1csc(-c2cccs2)n1	12873712	IMFNKQCPRJBWAV-LLVKDONJSA-N	373.459	4.613	5	40	FJBB	
O=C(N[C@H]1CCCc2ccccc21)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	5442822	WEXHGEXQAHAFOK-SFHVURJKSA-N	362.385	4.662	5	40	FJBB	
CCCCNc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1[N+](=O)[O-]	20897655	LKSKDEASMLHJNG-UHFFFAOYSA-N	352.394	4.832	5	40	FJBB	
CCc1ccc2oc(Nc3nc4c(C)cc([N+](=O)[O-])cc4s3)nc2c1	57352712	FIYRSPVEEZZTBS-UHFFFAOYSA-N	354.391	4.960	5	40	FJBB	
O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccccc1Cl	3510576	YSJVIBCDNHFWNA-UHFFFAOYSA-N	364.784	4.957	5	40	FJBB	
O=C(CSCc1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl	8907691	PYXFCIBYKCZXBQ-UHFFFAOYSA-N	371.245	4.774	5	40	FJBB	
COc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc32)cc1	2229142	HSNHWHFAPQSSTR-UHFFFAOYSA-N	369.424	4.803	5	40	FJBB	
O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)c2ccccn2)c2ccncc12	25371485	UDXYCNCNHOZPGC-OAQYLSRUSA-N	356.385	4.740	5	40	FJBB	
O=[N+]([O-])c1ccc(O)c(/C=C(/c2ccccc2)c2nc3ccccc3[nH]2)c1	36208984	XTWKRNXBXZPMPD-LGMDPLHJSA-N	357.369	4.766	5	40	FJBB	
COc1ccc(CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1F	2628252	DVYAMOJXIXFJBY-UHFFFAOYSA-N	350.396	4.645	5	40	FJBB	
O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc([N+](=O)[O-])s1	5676233	VZPKSZQSNZBNKO-UHFFFAOYSA-N	365.823	4.686	5	40	FJBB	
Cc1cccc(CNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1	10447516	UTSKRCAKEYYKLI-PXLXIMEGSA-N	372.424	4.760	5	40	FJBB	
COc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	408921938	LWQFGBAMZBFMMH-RCCKNPSSSA-N	374.396	4.783	5	40	FJBB	
Cc1ccc(OCc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1	3112740	MMWVCLCOKFLJBU-UHFFFAOYSA-N	362.385	4.735	5	40	FJBB	
C[C@H](OC(=O)CCC1CCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	6485519	JZXUAMNEDPOARC-ZDUSSCGKSA-N	373.409	4.610	5	40	FJBB	
Nc1ccccc1Nc1cc(-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1	3308224	BFAOKYNRSPIHBS-UHFFFAOYSA-N	371.400	4.773	5	40	FJBB	
O=C1C(c2ccccc2)=[N+]([O-])c2cc([N+](=O)[O-])c(C=Cc3ccccc3)cc21	2049239179	BHKGDKVRDXPUFI-UHFFFAOYSA-N	370.364	4.593	5	40	FJBB	
Cc1ccccc1-c1nnc(Sc2ccc([N+](=O)[O-])c3cccnc23)o1	24989888	MOLLKZDNGDVZCZ-UHFFFAOYSA-N	364.386	4.653	5	40	FJBB	
CC1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1	408629077	LNKLIRDCICDIEE-UHFFFAOYSA-N	373.840	4.737	5	40	FJBB	
Cc1ccc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1	8039601	UZVLICQXTBJJSZ-GFCCVEGCSA-N	364.854	4.984	5	40	FJBB	
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1	5701906	UXODTUGHJVFGHL-AATRIKPKSA-N	367.188	4.562	5	40	FJBB	
O=C(Oc1cccc(Cl)c1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1	6212459	JVDUFKDFFVJMNV-UHFFFAOYSA-N	374.824	4.848	5	40	FJBB	
COc1ccc(-c2csc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1OC	6560960	QKMYAPZEPFMTIJ-RMKNXTFCSA-N	368.414	4.906	5	40	FJBB	
C[C@H](Sc1nc2ccccc2o1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	6840769	BDROXBFDBZTMHY-JTQLQIEISA-N	368.374	4.639	5	40	FJBB	
Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	12257397	KGDIMZOVUWXDIA-UHFFFAOYSA-N	372.764	4.569	5	40	FJBB	
O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2c(ccc3ccccc32)oc1=O	6779934	RSTLNLAJJZEODD-UHFFFAOYSA-N	373.452	4.645	5	40	FJBB	
CC[N+](CC)(CC)CCCN[C@@H](c1ccccc1)C(Cl)(Cl)Cl	31938834	ROHSEOQPFZZRSJ-INIZCTEOSA-N	366.784	4.954	5	40	FJBB	
CCCCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC	224729367	NKNORSVREXCQOI-UHFFFAOYSA-N	372.421	4.563	5	40	FJBB	
O=C(CSCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1Cl	408723726	FSDTZBVZSVOYGS-UHFFFAOYSA-N	371.245	4.774	5	40	FJBB	
O=C(CSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl	4680704	HTWJVEBUWUAQCC-UHFFFAOYSA-N	357.218	4.632	5	40	FJBB	
NC(=O)c1ccc(SC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	5958685	YUIUAPVEVYWLLR-UHFFFAOYSA-N	364.426	4.575	5	40	FJBB	
O=C(OCc1nc2ccccc2c2ccccc12)c1ccccc1[N+](=O)[O-]	6590456	OOGNOAVZFINGMY-UHFFFAOYSA-N	358.353	4.653	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCSc2ccc(Cl)cc21	12797200	ZEBIFDPCVHXWLZ-CQSZACIVSA-N	363.826	4.607	5	40	FJBB	
COc1ccc(-c2ccc(C(=O)Nc3cc(C)cc(C)c3)o2)c([N+](=O)[O-])c1	5034563	APNQJOVNFUJGNR-UHFFFAOYSA-N	366.373	4.733	5	40	FJBB	
CCc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	7641899	LQHAXFCWNZQTSW-UHFFFAOYSA-N	353.403	4.533	5	40	FJBB	
O=[N+]([O-])c1cc(Cl)ccc1OCc1noc(-c2ccccc2Cl)n1	31708854	BJAGFESIMVCVEM-UHFFFAOYSA-N	366.160	4.531	5	40	FJBB	
C[C@H]1CCCCN1c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	408628982	GUJXGWZESAPJPM-OIQJVACTSA-N	365.433	4.626	5	40	FJBB	
CCNc1cc(Nc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c2nonc12	5025061	JXJUVFOTLVDKCY-UHFFFAOYSA-N	368.180	4.613	5	40	FJBB	
O=c1ccc2ccc(Oc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2o1	2626982	VAVYWFZAWDNDKK-UHFFFAOYSA-N	351.236	4.512	5	40	FJBB	
Cc1c(OCC(=O)Nc2ccccc2-c2ccccc2)cccc1[N+](=O)[O-]	48355999	SQDZYIXCNVVPPY-UHFFFAOYSA-N	362.385	4.588	5	40	FJBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1ccsc1)c1ccccc1	58202886	RPNNFHAGHCVMKB-MDZDMXLPSA-N	364.426	4.903	5	40	FJBB	
COc1cc(C)c([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1C(C)C	223264140	PZTLZCYFEGBRGX-HNNXBMFYSA-N	370.449	4.835	5	40	FJBB	
C[C@]1(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1(Cl)Cl	4694465	CMRCJFVJAVHNGQ-MRXNPFEDSA-N	365.216	4.784	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(F)c(Cl)c2)o1	408623176	RKQOLNDLZZVKAO-UHFFFAOYSA-N	360.728	4.900	5	40	FJBB	
O=[N+]([O-])/C(=C/Sc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1	4539682	LDSSHVUOXCCNJD-UKTHLTGXSA-N	359.388	4.572	5	40	FJBB	
CC(C)(C)n1cc(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cn1	57996932	OYEPCGPKGHNNGO-UHFFFAOYSA-N	364.405	4.521	5	40	FJBB	
Cc1ccc(S(=O)(=O)n2c3ccccc3c3c4ccccc4[nH]c32)cc1	242688589	VTYVWGQYLVAKQO-UHFFFAOYSA-N	360.438	4.821	5	40	FJBB	
O=C(CSc1ccccc1[N+](=O)[O-])Oc1ccc(-c2ccccc2)cc1	6885677	BNXLFTFIXLKKIT-UHFFFAOYSA-N	365.410	4.960	5	40	FJBB	
Cc1ccc(CNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	408921587	JCSZMNJXHVUMHT-PXLXIMEGSA-N	372.424	4.760	5	40	FJBB	
O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	10542601	SFLMVJGTJQCUGV-UHFFFAOYSA-N	360.797	4.822	5	40	FJBB	
CCCCc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1	3910335	VVLVXIOTROHLTA-UHFFFAOYSA-N	355.437	4.847	5	40	FJBB	
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	6304856	KCDMJARQOUXOKY-UHFFFAOYSA-N	369.204	4.698	5	40	FJBB	
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1	6641012	BCVJTNVWEQCIIL-FARCUNLSSA-N	367.188	4.562	5	40	FJBB	
Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1	30855854	MHGMHPKKLQLLKY-ZDUSSCGKSA-N	362.813	4.579	5	40	FJBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1	59477520	CDGUMFAQJIIACS-FMIVXFBMSA-N	364.357	4.515	5	40	FJBB	
Cc1ccc(OCCCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1	1914093	VRWNTIFAIFCLLL-UHFFFAOYSA-N	362.813	4.663	5	40	FJBB	
O=C(OC1C(c2ccccc2)=C1c1ccccc1)c1ccc([N+](=O)[O-])cc1	1707546	QFVHYRHMAAOIST-UHFFFAOYSA-N	357.365	4.745	5	40	FJBB	
O=[N+]([O-])c1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1	5205340	NNHWJSBFRIXOEX-UHFFFAOYSA-N	372.340	4.780	5	40	FJBB	
Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc1-c1ccccc1	31968403	JFHAQTOGOISSKQ-UHFFFAOYSA-N	373.821	4.932	5	40	FJBB	
COc1ccccc1-c1nc(CNc2cccc([N+](=O)[O-])c2C)cs1	65478722	AQFHTEMYYXBBJW-UHFFFAOYSA-N	355.419	4.647	5	40	FJBB	
COc1cc2c(cc1OC)C[N@@+](C)(Cc1ccc(Cl)cc1Cl)CC2	247695324	ZGQCVMOFKRXPLJ-JOCHJYFZSA-N	367.296	4.714	5	40	FJBB	
CCOc1ccc(NC(=O)Nc2cc3ncccc3c3cccnc23)cc1	408976131	PLRIMKZIZJHOCT-UHFFFAOYSA-N	358.401	4.826	5	40	FJBB	
O=[N+]([O-])c1cncc(Cl)c1OCc1cc(-c2ccc(Cl)cc2)no1	506557944	ZDHJFXMBGREJAK-UHFFFAOYSA-N	366.160	4.531	5	40	FJBB	
O=C(Nc1cccc2cccnc12)c1ccc(-c2ccccc2[N+](=O)[O-])o1	9190254	RRYLKNDZNVNXHN-UHFFFAOYSA-N	359.341	4.655	5	40	FJBB	
O=[N+]([O-])c1ccc(CCN2CCC[C@H]2c2nc3ccccc3s2)cc1	51427773	YVQUOYCJKHHJRW-KRWDZBQOSA-N	353.447	4.584	5	40	FJBB	
O=C(O)c1ccc(Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1	222632595	HYLSMEDPSQOKCM-UHFFFAOYSA-N	350.330	4.829	5	40	FJBB	
Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC2CCCCC2)cc1	4014316	NSFSZQPLHJBWFN-UHFFFAOYSA-N	353.422	4.900	5	40	FJBB	
Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3cccc(Cl)c3)nc12	4678264	SNJQVPSGKYJGMW-UHFFFAOYSA-N	352.781	4.568	5	40	FJBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccc(C)c(C)c2)o1	33688176	AJFKTJBCXQMCRS-UHFFFAOYSA-N	366.373	4.733	5	40	FJBB	
CCOc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Cl	408624024	WNLKQDDWQXNMKB-UHFFFAOYSA-N	369.204	4.861	5	40	FJBB	
O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1c[nH]c2ccccc12	6115072	PLSHHOAPMCJRBC-UHFFFAOYSA-N	369.376	4.785	5	40	FJBB	
C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl	13008560	PFRUJACDSXJJEU-CYBMUJFWSA-N	358.825	4.689	5	40	FJBB	
O=[N+]([O-])c1cc2c(cc1/C=C\c1ccccc1)[C@H](O)[C@@H](c1ccccc1)N2	13403310	ITOQIWZOAQFVLF-RHCPZQJMSA-N	358.397	4.965	5	40	FJBB	
C[C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2S1	12997347	SBUDUMXNFNJPLS-NSHDSACASA-N	362.838	4.779	5	40	FJBB	
O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCCCCC1	408907136	LFBHSYCXJNNYBD-CAPFRKAQSA-N	350.418	4.538	5	40	FJBB	
O=C(Cc1cccc2ccccc12)Nc1nc2ccc([N+](=O)[O-])cc2s1	4069832	APQLFFMVMCPXCC-UHFFFAOYSA-N	363.398	4.539	5	40	FJBB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2	409000585	UAIMPPORRAQWPB-XEHFDHBKSA-N	364.401	4.620	5	40	FJBB	
Cc1cccc([N+](=O)[O-])c1NC(=O)CSC1=Nc2ccccc2CS1	5325168	IFVVFJLDCHSCBQ-UHFFFAOYSA-N	373.459	4.509	5	40	FJBB	
COc1ccc(OC)c2c1[C@@H]1CCCC[C@@H]1O[C@@H]2c1cccc([N+](=O)[O-])c1	6668166	XQYSWHWKNJFTCV-VWKPWSFCSA-N	369.417	4.758	5	40	FJBB	
COc1ccc(-c2cc([N+](=O)[O-])ccc2OC[C@H]2CC2(Cl)Cl)cc1	23075113	WADRDFVFJHCXIU-GFCCVEGCSA-N	368.216	4.843	5	40	FJBB	
O=C(Nc1ccnc2c1ccc1ccccc12)c1ccc(Br)o1	40384283	PGARBEDIPZTUDF-UHFFFAOYSA-N	367.202	4.996	5	40	FJBB	
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(C(C)C)cc1	72228784	NWGRSKPIHHUTJU-UHFFFAOYSA-N	356.422	4.607	5	40	FJBB	
O=C(c1ccco1)N(Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1	4893558	ZPCRZTJJBUIRFN-UHFFFAOYSA-N	356.765	4.688	5	40	FJBB	
O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c([N+](=O)[O-])c1	5445232	URBPVLLEMHVPBU-UHFFFAOYSA-N	362.857	4.585	5	40	FJBB	
O=c1cc(CN2CCC[C@@H](C(F)(F)F)C2)c2c(ccc3ccccc32)o1	57332250	VCNKBYZDDSBDGZ-OAHLLOKOSA-N	361.363	4.721	5	40	FJBB	
Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@@H]2c2ccc([N+](=O)[O-])cc2)c1	4663762	OSXQEAYNFKBXQA-NRFANRHFSA-N	373.412	4.983	5	40	FJBB	
S=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CCCC1	6616535	DLWJBHKUENPEMH-UHFFFAOYSA-N	364.499	4.790	5	40	FJBB	
Cc1c(O)ccc2c1oc1c(-c3cccnc3)c3c(O)nn(C(C)C)c3nc12	79488791	QXICMKALDUBFSO-UHFFFAOYSA-N	374.400	4.693	5	40	FJBB	
Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1ccc([N+](=O)[O-])cc1	21540008	UMMFKURKNUGTQO-OAQYLSRUSA-N	358.401	4.981	5	40	FJBB	
COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c([N+](=O)[O-])c1	408575206	SSOQRWHCANUBOI-FMIVXFBMSA-N	364.357	4.515	5	40	FJBB	
O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2[N+](=O)[O-])N1C1CCCCC1	36385346	OFIHBIHVNYDAGB-RJKSWSIASA-N	350.418	4.536	5	40	FJBB	in-vitro
C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1	4571479	KYUPAQPDTNATGZ-JGKWQDMOSA-N	369.446	4.551	5	40	FJBB	
O=[N+]([O-])c1ccc(NN(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	4722097	WGUPDQMTRONQTE-UHFFFAOYSA-N	350.334	4.668	5	40	FJBB	
CCOc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC	6561587	ZYUIXGGJZRLCFI-UHFFFAOYSA-N	356.403	4.793	5	40	FJBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc(F)cc2)cs1	6889362	DDROBGITADYUES-JXMROGBWSA-N	369.377	4.509	5	40	FJBB	
C[C@H]1CCCN(c2ccc(-c3nc(-c4ccccc4)no3)cc2[N+](=O)[O-])C1	15833745	ZFLREBBCBGTQAH-AWEZNQCLSA-N	364.405	4.548	5	40	FJBB	
COc1ccc(N(C)C(=S)Nc2cc3ccncc3c3ncccc23)cc1	408976183	QCDAEIZRPCYQRE-UHFFFAOYSA-N	374.469	4.625	5	40	FJBB	
O=C(Nc1nc(-c2ccsc2Cl)cs1)c1cccc([N+](=O)[O-])c1	3187521	AEVKJAVWRRZNJC-UHFFFAOYSA-N	365.823	4.686	5	40	FJBB	
C[C@@H](C(=O)c1ccc2cc(Br)c3ccccc3c2c1)N(C)C	6486967	WLGYGMHEMOYARN-LBPRGKRZSA-N	356.263	4.888	5	40	FJBB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccs1)Cc1cccs1	24463447	WTXLYUJSVMUGAS-UHFFFAOYSA-N	358.444	4.560	5	40	FJBB	
Cc1cccc(-c2c[nH]c([C@@H]3CCCN3Cc3ccccc3[N+](=O)[O-])n2)c1	72308653	QMMZVBCMIKXVCT-FQEVSTJZSA-N	362.433	4.630	5	40	FJBB	
CC(=O)c1ccc(NC(=S)Nc2cc3cccnc3c3ncccc23)cc1	409320263	PSWLMURNFHGTQS-UHFFFAOYSA-N	372.453	4.795	5	40	FJBB	
CC1CCN(c2ccc(-c3nc(-c4ccccc4)no3)cc2[N+](=O)[O-])CC1	8586980	QMUDZUVRYKWQFF-UHFFFAOYSA-N	364.405	4.548	5	40	FJBB	
CCc1ccc2oc(Nc3nc4c([N+](=O)[O-])cc(C)cc4s3)nc2c1	57352618	OCVFOKZDXNIDDD-UHFFFAOYSA-N	354.391	4.960	5	40	FJBB	
O=[N+]([O-])c1ccc(Cl)cc1-c1nnc(-c2cc(-c3ccccc3)on2)o1	1324241662	IBEVNOOXCQNIJQ-UHFFFAOYSA-N	368.736	4.620	5	40	FJBB	
CC(C)c1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1	1435427	VXYAHDIGTCMMQI-RQZCQDPDSA-N	370.792	4.716	5	40	FJBB	
CCOC(=O)c1c(C)oc2c(-c3ccc(C)cc3[N+](=O)[O-])cc(O)cc12	4754104	UDYWRXFXDWDVPP-UHFFFAOYSA-N	355.346	4.507	5	40	FJBB	
O=C(O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)C1CCCCC1	12601110	YGYOQCZLZPMFQK-UHFFFAOYSA-N	374.418	4.540	5	40	FJBB	
O=[N+]([O-])c1cccc(NCc2cccc(OCc3cccc(F)c3)c2)c1	408559875	WYDYQLJDYURGBV-UHFFFAOYSA-N	352.365	4.925	5	40	FJBB	
CN(C(=O)c1sccc1Oc1ccccc1[N+](=O)[O-])c1ccccc1	3125662	DMNQIAHMPDLYMT-UHFFFAOYSA-N	354.387	4.725	5	40	FJBB	
Cc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1	9577768	OOIIKISDJBUOFQ-UHFFFAOYSA-N	350.827	4.596	5	40	FJBB	
Cc1ccccc1[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1	20041103	IZBIKKRTAVSNHH-NRFANRHFSA-N	360.413	4.731	5	40	FJBB	
Cc1ccccc1CNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	408927097	XZOXISPTLOSVTN-PXLXIMEGSA-N	372.424	4.760	5	40	FJBB	
COc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3)o2)c([N+](=O)[O-])c1	5034535	BWVMPALMTRTEFB-UHFFFAOYSA-N	372.764	4.769	5	40	FJBB	
CC[C@H](C)c1ccccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	5949863	WGBLLZVTNFVZOW-HNNXBMFYSA-N	367.449	4.961	5	40	FJBB	
C[C@@H](Sc1nc2ccccc2o1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	6840773	BDROXBFDBZTMHY-SNVBAGLBSA-N	368.374	4.639	5	40	FJBB	
O=[N+]([O-])c1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1	57352415	YXANPANRNGVVFG-UHFFFAOYSA-N	352.575	4.554	5	40	FJBB	
Cc1noc(/C=C\c2ccc(OCc3ccccc3F)cc2)c1[N+](=O)[O-]	98031074	FPKNRXYDKXZCPE-FLIBITNWSA-N	354.337	4.780	5	40	FJBB	
O=c1cc(-c2ccccc2)c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2o1	651399	VDDJNFRYRPLMSH-UHFFFAOYSA-N	373.364	4.947	5	40	FJBB	
COc1ccc(C2=NN(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1	4955745	NWBGGRJWENBGAN-JOCHJYFZSA-N	373.412	4.959	5	40	FJBB	
CCCNC(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1	6710499	AYILPRCNNIZHSD-UHFFFAOYSA-N	352.488	4.694	5	40	FJBB	
Cc1ccc2oc3nc(N)c(-c4nc5ccccc5s4)cc3c(=O)c2c1	94986159	GUZHSNZPLGQGAJ-UHFFFAOYSA-N	359.410	4.509	5	40	FJBB	
CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1	225505708	RDINZBZVZSBGSO-UHFFFAOYSA-N	368.433	4.833	5	40	FJBB	
COc1ccc(-c2nnc(-c3cc4c(ccc5ccccc54)oc3=O)o2)cc1	4070447	XZFUMXTXBJMXOL-UHFFFAOYSA-N	370.364	4.672	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(-c2ccccc2Cl)noc1C	4614359	RFZVLFRFYITYJN-UHFFFAOYSA-N	371.780	4.772	5	40	FJBB	
CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1	6243106	IPQOSBWLKOAPIX-GFCCVEGCSA-N	371.462	4.544	5	40	FJBB	
Cc1cc(C)c([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1C	223398738	GCJSNAMKANJMBB-INIZCTEOSA-N	372.490	4.631	5	40	FJBB	
O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2cc([N+](=O)[O-])ccc2s1	4337785	OOFQRJWECNKWSY-UHFFFAOYSA-N	356.447	4.508	5	40	FJBB	
Cc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)c([N+](=O)[O-])n1	6912405	MMHKFMFKWJPMJT-UHFFFAOYSA-N	364.386	4.762	5	40	FJBB	
O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@H]3C[C@H](c4ccccc4)NN32)c1	36286706	JHBBRCDFRDNVNA-KCZVDYSFSA-N	373.412	4.679	5	40	FJBB	
O=C(Nc1ccc(Cl)c(Cl)c1)c1coc2ccc([N+](=O)[O-])cc12	197627784	VXMQLKCHXPFJLW-UHFFFAOYSA-N	351.145	4.900	5	40	FJBB	
O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1	89262487	XALVKXNRIRMTRY-UHFFFAOYSA-N	369.686	4.984	5	40	FJBB	
CC[N+](CC)(CC)CCSCCOC(=O)c1oc2ccccc2c1C	2343249	BVOOZLSGXFDZTH-UHFFFAOYSA-N	364.531	4.508	5	40	FJBB	
O=[N+]([O-])c1c(Nc2cc(Cl)ccc2Cl)cc(Cl)c2nonc12	4812621	AQRZMPCZFFOUBL-UHFFFAOYSA-N	359.556	4.835	5	40	FJBB	
O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1NCc1ccco1	8586987	AVBRONMEZZCAHW-UHFFFAOYSA-N	362.345	4.517	5	40	FJBB	
Cc1noc(/C=C\c2cccc(OCc3ccccc3F)c2)c1[N+](=O)[O-]	408541933	GPNCVYIGAASUPB-KTKRTIGZSA-N	354.337	4.780	5	40	FJBB	
CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	8049456	QQSLZTAQQHNWLZ-HNNXBMFYSA-N	369.204	4.698	5	40	FJBB	
CC(C)CSc1ccc(C(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-]	17334006	ZBHVNOVAJOAMII-UHFFFAOYSA-N	358.463	4.615	5	40	FJBB	
O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCc2ccccc2F)o1	58161699	YDRUXHUHVRPEAQ-UHFFFAOYSA-N	360.772	4.937	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1c2ccccc2Oc2ccccc21	2309526	GZHBNFRUJYECNO-UHFFFAOYSA-N	360.369	4.780	5	40	FJBB	
CN1/C(=C\Sc2ccccc2[N+](=O)[O-])C(C)(C)c2ccc([N+](=O)[O-])cc21	12575530	PNPRJFGVGBUAEM-BOPFTXTBSA-N	371.418	4.864	5	40	FJBB	
COc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1	408921068	CJKVVJZKKZDTRO-KGENOOAVSA-N	374.396	4.783	5	40	FJBB	
O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)cc1	4819089	VERFCSQRUMDNPC-UHFFFAOYSA-N	367.368	4.544	5	40	FJBB	
O=c1oc2c3c(ccc2c2ccccc12)OCN(c1ccccc1Cl)C3	2122517	XVKHBNIARGSQDR-UHFFFAOYSA-N	363.800	4.956	5	40	FJBB	biogenic
O=[N+]([O-])c1ccccc1Oc1ccc(Br)cc1Br	3033058	YSMUGMIWJUZPPN-UHFFFAOYSA-N	373.000	4.912	5	40	FJBB	biogenic
Cc1c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cccc1[N+](=O)[O-]	8331148	MYZLEWZZYUBESQ-LLVKDONJSA-N	350.827	4.676	5	40	FJBB	
O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc([N+](=O)[O-])cc1Cl	12875292	HJZTXJKUYIDOJP-MRXNPFEDSA-N	365.216	4.783	5	40	FJBB	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1	408994139	GLWVAEUTHZXTHH-FQPNBZCCSA-N	365.389	4.800	5	40	FJBB	
COc1ccc(C(=O)Nc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1	103945441	QBIOKAVHZJSZNW-UHFFFAOYSA-N	368.396	4.525	5	40	FJBB	
COc1ccc(N(C)C(=S)Nc2cc3cccnc3c3cccnc23)cc1	408974243	DOFFCPNJVMMZKA-UHFFFAOYSA-N	374.469	4.625	5	40	FJBB	
CCN(CC)C[C@@H](C)Nc1ccc(C)c2sc3ccccc3c(=O)c12	5839937	AMSIIUAVEDAGKX-OAHLLOKOSA-N	354.519	4.865	5	40	FJBB	
Cc1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1[N+](=O)[O-]	10289259	RGQKFAJQOXBQMH-GOSISDBHSA-N	370.405	4.623	5	40	FJBB	
Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)NC1CCCCC1	8021276	ILPJMQLKVPVIJB-UHFFFAOYSA-N	362.813	4.879	5	40	FJBB	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1c(F)cc(F)cc1-c1ccccc1	59585393	ZHYHEBIPCKMYCN-UHFFFAOYSA-N	368.339	4.721	5	40	FJBB	
O=C(O)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21	408999617	RMSRNYLKCTVUFC-QZQWXXKDSA-N	364.401	4.590	5	40	FJBB	
C[C@@H]([C@@H](c1ccc(Br)cc1)c1ccccc1Cl)[N+](=O)[O-]	1755186	DFJVKHSHTGUZAZ-BONVTDFDSA-N	354.631	4.900	5	40	FJBB	
CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc([N+](=O)[O-])c2)N3)C1	4545413	CLRHKFSHHLVFEE-MGPLVRAMSA-N	357.435	4.600	5	40	FJBB	
COc1ccc([C@H]2CC(=O)c3c(-c4cccc([N+](=O)[O-])c4)ccnc3C2)cc1	14164023	YQHZQBCSIXUHOO-MRXNPFEDSA-N	374.396	4.578	5	40	FJBB	
O=C(c1ccco1)[C@@H](Cc1ccc([N+](=O)[O-])cc1)SCc1ccco1	1050432	GQOMGBZIZLICSE-QGZVFWFLSA-N	357.387	4.508	5	40	FJBB	
CC(C)(C)[P@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccncc1)N1CCCC1	5447013	FFXRKRRGRHZNFD-SANMLTNESA-N	372.409	4.957	5	40	FJBB	
COc1ccc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C)c([N+](=O)[O-])c1	36392586	GLDUSFMJNLPFDJ-KRWDZBQOSA-N	357.410	4.512	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)C(Cc1ccccc1)Cc1ccccc1	2732303	ODVYLBMPGYYODP-UHFFFAOYSA-N	360.413	4.635	5	40	FJBB	
C[C@@H]1Cc2ccccc2N1C(=O)Nc1cc2cccnc2c2ncccc12	6455376	MFRRSXAUMUJGQW-CQSZACIVSA-N	354.413	4.766	5	40	FJBB	
O=C(Nc1ccc2ncsc2c1)c1cc2c(ccc3ccccc32)oc1=O	9472000	CBJOCFIGRMGCAW-UHFFFAOYSA-N	372.405	4.808	5	40	FJBB	
O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(CCc2ccccc2)CC1	12857993	XSFBWPRVMTWEBS-UHFFFAOYSA-N	372.852	4.733	5	40	FJBB	
CCCC[N+]12CCC(CC1)[C@@H](C(O)(c1ccccc1)c1ccccc1)C2	2310954	VIIOHTZMFZJVDT-KOXWRSSLSA-N	350.526	4.579	5	40	FJBB	
Cc1ccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1	5267974	GRMNMOWFDYQBBU-UHFFFAOYSA-N	367.430	4.516	5	40	FJBB	
O=C(Nc1ccccc1SCC(F)(F)F)c1ccc([N+](=O)[O-])s1	12906180	XXWYMACUBITXBQ-UHFFFAOYSA-N	362.354	4.563	5	40	FJBB	
Cc1cccc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)c1[N+](=O)[O-]	31968245	GOJIVKYGJVYNMZ-UHFFFAOYSA-N	353.403	4.587	5	40	FJBB	
CCOc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1Br	226237516	RCESVSFMWHLVDU-UHFFFAOYSA-N	363.167	4.564	5	40	FJBB	
O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1ccccc1[N+](=O)[O-]	4331296	KICQNKAVNGJOTF-UHFFFAOYSA-N	368.201	4.764	5	40	FJBB	
Cc1cc(O[C@@H](C)C(=O)c2ccccc2)cc2oc(=O)c3ccccc3c12	4747438	ZRCGINWYEIPPNE-HNNXBMFYSA-N	358.393	4.905	5	40	FJBB	biogenic
COc1ccc(N(C)C(=S)Nc2cc3cccnc3c3ncccc23)cc1	408976466	RJPHHDWIHFYGGG-UHFFFAOYSA-N	374.469	4.625	5	40	FJBB	
O=[N+]([O-])c1ccc2nc(SCc3ccc(Br)cc3)[nH]c2c1	409392750	RQMBNXPPYZFJHX-UHFFFAOYSA-N	364.224	4.526	5	40	FJBB	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCSc1ccccc1Cl	3363349	WUAQPNINNXUIKY-UHFFFAOYSA-N	364.854	4.986	5	40	FJBB	
CCOc1ccc(NC(=O)c2cc(Cl)sc2Cl)c([N+](=O)[O-])c1	4339483	GXDWOJVPFYNUPD-UHFFFAOYSA-N	361.206	4.614	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1O)C1[C@H]2CC/C=C\CC/C=C/CC[C@@H]12	4595386	YWCQKKGLXGBROQ-IMUUNTMGSA-N	356.422	4.568	5	40	FJBB	
C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc([N+](=O)[O-])s1	31335628	VBLHJKJWVTTYMS-MRVPVSSYSA-N	359.234	4.796	5	40	FJBB	
O=[N+]([O-])c1ccc2nc(NCCOc3cccc4ccccc34)sc2c1	59461250	IIAJNMVPHKLCQY-UHFFFAOYSA-N	365.414	4.849	5	40	FJBB	
Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2)cs1	95977807	IDEHDTLOVUJBEV-UHFFFAOYSA-N	373.821	4.932	5	40	FJBB	
O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)c1ccc(Cl)cc1	629643	FWKNWWOUCYOHST-UHFFFAOYSA-N	364.784	4.861	5	40	FJBB	
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(COc2ccccc2)o1	5032714	DVNVRNUVOFPVQR-UHFFFAOYSA-N	372.764	4.673	5	40	FJBB	
CCOc1ccc(NC(=S)Nc2cc3cccnc3c3ncccc23)cc1	408977903	YZKRNWUCINOZBK-UHFFFAOYSA-N	374.469	4.991	5	40	FJBB	
Cc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2Cl)s1	1466006	VBHREXIPLSUMBV-UHFFFAOYSA-N	373.821	4.932	5	40	FJBB	
O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(Cl)ccc1[N+](=O)[O-]	1518576	CMWJOLPETXHBQX-UHFFFAOYSA-N	368.201	4.764	5	40	FJBB	
O=C(NC1CCCCC1)Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-]	1737502	JLQMCSGWCSRKSC-UHFFFAOYSA-N	367.616	4.976	5	40	FJBB	
COc1ccc2nc3cc(Cl)ccc3c(N[C@H](C)CCCN(C)C)c2n1	31937713	YURMGNZPEHYOAL-CYBMUJFWSA-N	372.900	4.587	5	40	FJBB	
Cc1cc(C)c2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1	989610	CQLCCDOCIPLHDJ-UHFFFAOYSA-N	361.810	4.727	5	40	FJBB	
CC(C)c1nc2sc3c(ncn4c(=S)[nH]nc34)c2c2c1CCCC2	1288543	RWULNRAPILNTMC-UHFFFAOYSA-N	355.492	4.552	5	40	FJBB	
O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2[N+](=O)[O-])N1C1CCCCC1	57680058	OFIHBIHVNYDAGB-MFCMXAAESA-N	350.418	4.536	5	40	FJBB	in-vitro
CC(C)c1ccccc1OCCNc1nc2ccc([N+](=O)[O-])cc2s1	59461249	UDRXIESYNAHBQK-UHFFFAOYSA-N	357.435	4.819	5	40	FJBB	
COc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	409110580	FECWGAAAUZAGTM-UHFFFAOYSA-N	364.401	4.795	5	40	FJBB	
COc1ccc2cc(CNc3ccc(F)c([N+](=O)[O-])c3)c(Cl)nc2c1	8705160	KMQDIGZVNMIFKQ-UHFFFAOYSA-N	361.760	4.556	5	40	FJBB	
Cc1ccc(OCc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1	6479685	JFBDNFUCVPBURY-UHFFFAOYSA-N	362.385	4.735	5	40	FJBB	
O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(Cl)c1	10593299	ZUCCLZSNWQROLB-UHFFFAOYSA-N	364.835	4.833	5	40	FJBB	
O=[N+]([O-])c1ccc(SNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	5446084	VDPDILJEQGIGMP-UHFFFAOYSA-N	359.285	4.641	5	40	FJBB	
CC(C)n1ncc2c(-c3ccc(O)cc3)c3oc4cc(O)ccc4c3nc21	96115829	WLRVUOSEIFGJAJ-UHFFFAOYSA-N	359.385	4.990	5	40	FJBB	biogenic
COc1cc(C)c([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1C(C)C	223263636	GLYBILLTSQVSGV-AWEZNQCLSA-N	356.422	4.526	5	40	FJBB	
O=C(CSc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl	2623892	ACKKLPQQGVJTKP-UHFFFAOYSA-N	357.218	4.632	5	40	FJBB	
Cc1c(CSc2nnc(-c3ccc(Cl)cc3)o2)cccc1[N+](=O)[O-]	40127246	PMJFFCHTDKLDSQ-UHFFFAOYSA-N	361.810	4.899	5	40	FJBB	
Cc1nc(-c2cccs2)ccc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1	84040860	MTTJINPHGIPHQR-LBPRGKRZSA-N	367.430	4.518	5	40	FJBB	
CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C	222922033	QEQMQUILZQIMGB-IBGZPJMESA-N	370.449	4.997	5	40	FJBB	
O=C(Nc1cccnc1)c1ccc2sc3nc4ccccc4nc3c2c1	408977736	XVQCITGJLZCVAC-UHFFFAOYSA-N	356.410	4.645	5	40	FJBB	
CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O	409010813	LPPFUBVJDZEJSN-YAFRSCOQSA-N	372.402	4.690	5	40	FJBB	
CCCCP(=O)(CCCC)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	4746803	YFBVAKDDUDENAN-UHFFFAOYSA-N	367.430	4.595	5	40	FJBB	
Nc1ccccc1S[C@H](CC(=O)c1cccs1)c1ccc([N+](=O)[O-])o1	3199890	GGUDNHUUNBODLV-MRXNPFEDSA-N	374.443	4.938	5	40	FJBB	
Cc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cccc1[N+](=O)[O-]	4599329	TWVQDFIHSHEACE-UHFFFAOYSA-N	358.703	4.828	5	40	FJBB	
O=C(Nc1nc2ccccc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	5740110	KZAHKIXXEYXJGE-UHFFFAOYSA-N	365.370	4.717	5	40	FJBB	
CCCCOc1cccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1	9141766	YKOAFZWRXKDKFL-UHFFFAOYSA-N	362.813	4.988	5	40	FJBB	
O=c1c(-c2ccccc2)coc2cc(Oc3ccc([N+](=O)[O-])cn3)ccc12	12554379	YWNVMDOWXPOLPY-UHFFFAOYSA-N	360.325	4.556	5	40	FJBB	
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1cc(C)ccc1C(C)C	72228817	XLBVLUHYRKQAGW-UHFFFAOYSA-N	370.449	4.915	5	40	FJBB	
CCCOc1cccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1	72229465	OJLLMGXHBBEIJV-UHFFFAOYSA-N	369.204	4.943	5	40	FJBB	
O=[N+]([O-])c1cccc(-c2nnc(CSc3nc4ccccc4s3)o2)c1	4700632	XBHSRAUYASHSCC-UHFFFAOYSA-N	370.415	4.547	5	40	FJBB	
COc1ccc(C(=O)OCc2c3ccccc3cc3ccccc23)cc1N	226331708	HVBBZDGWTOVYFX-UHFFFAOYSA-N	357.409	4.941	5	40	FJBB	
CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O	409010812	LPPFUBVJDZEJSN-HPUUJOOBSA-N	372.402	4.690	5	40	FJBB	
Cc1ccccc1[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	20455989	SEPIIUOJQZAAKQ-WOOPDLCSSA-N	372.424	4.822	5	40	FJBB	
COc1cccc(NC(=S)Nc2ccc3nc4ccccc4nc3c2)c1	408976055	OWVZBXJSZOCFKZ-UHFFFAOYSA-N	360.442	4.601	5	40	FJBB	
O=C(Nc1nc2ccc3ccccc3c2s1)c1ccc([N+](=O)[O-])s1	3187610	DGMVKRUMAQKHBS-UHFFFAOYSA-N	355.400	4.672	5	40	FJBB	
C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])C1	7191902	BJUKYEKVBGYRQH-CYBMUJFWSA-N	373.840	4.737	5	40	FJBB	
Cc1ccc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	11400330	VXKYDJUICUPHPI-LLVKDONJSA-N	350.827	4.676	5	40	FJBB	
O=[N+]([O-])c1ccc(CSc2ccc(-c3ccc(Cl)cc3)nn2)cc1	4355628	ABPUWDZCWFWEPX-UHFFFAOYSA-N	357.822	4.998	5	40	FJBB	
O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1ccccc1	12528304	XHNWGRCNIVCIPO-UHFFFAOYSA-N	361.401	4.703	5	40	FJBB	
O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc(F)cc1F	3513369	KEDNLDXOZUYUET-UHFFFAOYSA-N	366.319	4.581	5	40	FJBB	
Cc1nc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)sc1-c1ccccc1	31967712	AKPHKQCMQAOQAX-UHFFFAOYSA-N	359.432	4.649	5	40	FJBB	
CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O	409009832	INFWUDJVLOMLPM-FFCYNSPCSA-N	372.402	4.690	5	40	FJBB	
COc1cc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C(C)C	225665088	YTQLFFHULZKIRP-UHFFFAOYSA-N	362.813	4.941	5	40	FJBB	
O=C(CSCc1cccc([N+](=O)[O-])c1)Nc1cccc2ccccc12	408723702	BCVSYFKKBCDNTN-UHFFFAOYSA-N	352.415	4.620	5	40	FJBB	
C[C@@H]1Cc2ccccc2N1C(=S)Nc1cc2ccncc2c2ncccc12	408974836	HHAFCNQEEPPRQL-CQSZACIVSA-N	370.481	4.931	5	40	FJBB	
Cc1cc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc12	3332721	XLIJOPHZFLHVME-ZDUSSCGKSA-N	367.430	4.571	5	40	FJBB	
Cc1cc(OC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1Cl	5898873	HPGFDDLESTZSGT-UHFFFAOYSA-N	374.824	4.766	5	40	FJBB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	409000582	UAIMPPORRAQWPB-LZRWVWJESA-N	364.401	4.620	5	40	FJBB	
Cc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1Br	834113	RBTCHBUQJIFQHG-UHFFFAOYSA-N	369.602	4.571	5	40	FJBB	
COc1ccc(CSC(=S)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1	6484363	GRZJELXUKMCSTN-UHFFFAOYSA-N	362.476	4.850	5	40	FJBB	
O=[N+]([O-])c1cc2c(cc1C=Cc1ccccc1)[C@@H](O)[C@@H](c1ccccc1)N2	2049239192	ITOQIWZOAQFVLF-FGZHOGPDSA-N	358.397	4.965	5	40	FJBB	
Cc1cccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-]	12886833	CUFFXJPZRQYEOI-UHFFFAOYSA-N	374.440	4.788	5	40	FJBB	
CCC1(CC)O[C@@H]2c3cc([N+](=O)[O-])ccc3O[C@@H](C)N2c2ccccc21	2462189	VCQQTGZTHRRFRJ-ORAYPTAESA-N	354.406	4.884	5	40	FJBB	
CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1	6243424	IPQOSBWLKOAPIX-LBPRGKRZSA-N	371.462	4.544	5	40	FJBB	
Cc1cc(C)c2c(n1)sc1c2ncn2nc([C@H]3C[C@@H]3c3ccccc3)nc12	13643607	ZEZNUJOGZQETJT-CABCVRRESA-N	371.469	4.775	5	40	FJBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(OC2CCCC2)cc1	46894201	PZOTVQXYWLBAQY-MDWZMJQESA-N	352.390	4.568	5	40	FJBB	
COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)oc1ccccc12	4718792	NJBGEZRKYDVHOG-UHFFFAOYSA-N	362.341	4.755	5	40	FJBB	
COc1ccccc1N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1	4309517	OZPIEKZWHDLFJD-NRFANRHFSA-N	373.412	4.959	5	40	FJBB	
Cc1ccc(CN2COc3cc(C)c4c(oc(=O)c5ccccc54)c3C2)cc1	55393859	RLHXRKFGMHBBMH-UHFFFAOYSA-N	371.436	4.915	5	40	FJBB	biogenic
Cc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1[N+](=O)[O-]	408992837	URESABFJBJDNES-UHFFFAOYSA-N	369.446	4.940	5	40	FJBB	
Cc1cc2nc(/C=C/c3cc4c(cc3[N+](=O)[O-])OCO4)sc2cc1C	6049110	GSAWACKYDHEVEY-ONEGZZNKSA-N	354.387	4.720	5	40	FJBB	
CCc1cccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)c1	2160162	CJWLMBRJIGEPJX-UHFFFAOYSA-N	357.409	4.865	5	40	FJBB	biogenic
Cc1c(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-]	14665191	ZUMYRFNFISPMAL-CQSZACIVSA-N	356.422	4.607	5	40	FJBB	
O=[N+]([O-])c1ccc(NCCNCc2c(Cl)cccc2Cl)c(Cl)c1	16383709	LLBXQFKUIHJSQL-UHFFFAOYSA-N	374.655	4.757	5	40	FJBB	
CSc1ccc(CN(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	40098666	JAICUCDNBZUERA-UHFFFAOYSA-N	365.842	4.634	5	40	FJBB	
Cc1c(CSc2nnc(-c3ccccc3Cl)n2C)cccc1[N+](=O)[O-]	42112647	RCUPKGOEXOOPIU-UHFFFAOYSA-N	374.853	4.644	5	40	FJBB	
CCc1ccc(O[C@@H](CC)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	222890008	ABSRMRCTERDSDF-KRWDZBQOSA-N	362.813	4.607	5	40	FJBB	
COc1cc2c(cc1OC)C[N+](C)(Cc1ccc(Cl)cc1Cl)CC2	2557651	ZGQCVMOFKRXPLJ-UHFFFAOYSA-N	367.296	4.714	5	40	FJBB	
COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-]	15540872	HWBWBJFVDVVXDB-UHFFFAOYSA-N	374.702	4.528	5	40	FJBB	
CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc([N+](=O)[O-])c1C	20454422	BTQBGSXGOTUVJM-HXUWFJFHSA-N	364.401	4.853	5	40	FJBB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc3c(c1)OCO3)N2	409000579	UAIMPPORRAQWPB-GYXYBCFCSA-N	364.401	4.620	5	40	FJBB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	408999100	WHXWPGLWRCNYTD-YDIRCUSSSA-N	364.401	4.590	5	40	FJBB	
Cc1cc([N+](=O)[O-])ccc1NC(=S)Nc1cccc(C(F)(F)F)c1	17073433	MBHVBEKTNMKMEG-UHFFFAOYSA-N	355.341	4.731	5	40	FJBB	
O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1	2025635	IKFHAFPPQTVSQH-UHFFFAOYSA-N	372.340	4.780	5	40	FJBB	
Cc1[nH]c2ccccc2c1[C@H](Nc1cccc([N+](=O)[O-])c1)c1ccccn1	2502297	NNZAPAVDZSLJHE-OAQYLSRUSA-N	358.401	4.981	5	40	FJBB	
Cc1ccc(C)c2sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc12	9141219	LGERXLDNLCDFOB-UHFFFAOYSA-N	361.810	4.727	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N1Cc2ccccc2[C@@H](c2ccccc2)C1	25251185	NOILUMZBUNPDGY-OAQYLSRUSA-N	373.412	4.774	5	40	FJBB	
O=C(c1ccc([N+](=O)[O-])s1)N1CCc2sccc2[C@@H]1c1ccccc1	32787792	DZMHOALKBWDBPU-KRWDZBQOSA-N	370.455	4.506	5	40	FJBB	
CC[N+](CC)(CC)CCCCCCCCCCCCP(=O)(O)O	44960048	CIRTZQBPHCNDAD-UHFFFAOYSA-O	350.504	4.942	5	40	FJBB	
O=C(Nc1ccc(Cl)cc1Cl)C1(c2ccc([N+](=O)[O-])cc2)CC1	225991081	LYDHQIYALKDXLZ-UHFFFAOYSA-N	351.189	4.572	5	40	FJBB	
O=C(COc1ccc(C2CCCCC2)cc1)Nc1cc([N+](=O)[O-])ccc1F	408623230	SCYMKHVOVVVOBR-UHFFFAOYSA-N	372.396	4.799	5	40	FJBB	
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccccc1	9956580	DCNYYIDBBIYQKA-KAMXEHQASA-N	356.809	4.625	5	40	FJBB	
CC[N+]1(C[C@@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CCCC1	17316929	RSHSCTWYKMMNHT-HXUWFJFHSA-N	362.578	4.771	5	40	FJBB	
Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(Cc1ccccc1)CO2	54278174	RBOMQLIHFWAPJO-UHFFFAOYSA-N	357.409	4.607	5	40	FJBB	biogenic
O=C(/C=C/c1ccc(Cl)cc1Cl)OCc1ccc([N+](=O)[O-])cc1	3375446	JJILZOLCXZBDOV-XBXARRHUSA-N	352.173	4.658	5	40	FJBB	
CC(C)CCn1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21	5164845	ZOCGHAWRRMHBLS-UHFFFAOYSA-N	361.405	4.601	5	40	FJBB	
CC[N+]1(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C[C@@H](C)C[C@@H](C)C1	36631444	RQMGHMQKNALBEM-NTPPTQMCSA-N	368.541	4.606	5	40	FJBB	
CCOc1ccccc1-c1nnc(SCc2cccc([N+](=O)[O-])c2C)o1	40127659	BHRLDOJLBIPWHL-UHFFFAOYSA-N	371.418	4.644	5	40	FJBB	
COc1ccccc1Oc1ccc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-]	5928690	OTDUVMAZPWXDQR-UHFFFAOYSA-N	363.369	4.935	5	40	FJBB	
O=C(Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1)c1cccs1	6660880	NUXOLLQCHCZNBE-UHFFFAOYSA-N	355.802	4.913	5	40	FJBB	
CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C	225507584	DUBJUMXCBSNSLS-UHFFFAOYSA-N	368.433	4.752	5	40	FJBB	
CC(C)N(C(=O)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)C(C)C	409001543	WLWWDCLIZYRPFP-UHFFFAOYSA-N	361.449	4.915	5	40	FJBB	
CN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3cc([N+](=O)[O-])ccc13)O2	4624539	WMTKWGIAGGCKSS-QFIPXVFZSA-N	373.412	4.967	5	40	FJBB	
C[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2S1	15544419	BWCANTJCNBWKDV-BMGYJQCNSA-N	354.431	4.526	5	40	FJBB	
O=C(c1ccco1)[C@H](Cc1ccc([N+](=O)[O-])cc1)SCc1ccco1	1050431	GQOMGBZIZLICSE-KRWDZBQOSA-N	357.387	4.508	5	40	FJBB	
O=C(Nc1ccc2c3c(cccc13)CC2)c1cc([N+](=O)[O-])ccc1Cl	6889314	CPRPBOHWSGJQRJ-UHFFFAOYSA-N	352.777	4.752	5	40	FJBB	
C[C@H](C1CC1)N(Cc1ccccc1)C(=S)Nc1ccc([N+](=O)[O-])cc1	7561159	IBWHJOYROQUCMZ-CQSZACIVSA-N	355.463	4.592	5	40	FJBB	
O=[N+]([O-])c1ccc(NCCNCc2cccc(Cl)c2Cl)c(Cl)c1	16383889	WAWOQAPXSIYPSC-UHFFFAOYSA-N	374.655	4.757	5	40	FJBB	
O=[N+]([O-])c1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)ccc1Cl	89262440	GWJZHENRCRWAIS-UHFFFAOYSA-N	369.686	4.984	5	40	FJBB	
CC(C)Cn1c(C(C)C)nc([N+](=O)[O-])c1Sc1ccc(Cl)cn1	987848	KZBVMDCTWBBHAK-UHFFFAOYSA-N	354.863	4.770	5	40	FJBB	
CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	7080023	FPNOIXDDDZMERL-LBPRGKRZSA-N	362.813	4.779	5	40	FJBB	
O=C(Nc1ccc(F)cc1F)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	12539895	ZQOXYYIDCMDPCF-UHFFFAOYSA-N	369.327	4.869	5	40	FJBB	
O=C(Nc1nnc(C(F)(F)F)s1)c1cc2ccccc2c2cccnc12	84594864	CGDQZAZWPKWOIV-UHFFFAOYSA-N	374.347	4.511	5	40	FJBB	
CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1C	216209229	AJWLLPDEKSLDFK-HXUWFJFHSA-N	364.401	4.853	5	40	FJBB	
Cc1ccc([C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1	216479946	KUUGVMANXSDIEL-UXZSZYKQSA-N	372.424	4.822	5	40	FJBB	
CCOP(=O)(Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2)OCC	1662439	HRDZSLVUEXPYQT-UHFFFAOYSA-N	362.322	4.759	5	40	FJBB	
COc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1[N+](=O)[O-]	9141546	RGAAPKVQCCTZFN-UHFFFAOYSA-N	356.765	4.662	5	40	FJBB	
COc1ccc([C@@H](CC(C)C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	22526603	DPKVLOFEQUGOOX-ACGJQVIASA-N	368.433	4.520	5	40	FJBB	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c1	205873022	DWBXRYCYAMPRJI-MPJUTOBNSA-N	365.389	4.800	5	40	FJBB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(C(C)C)cc3)nc12	10010540	RKAMUURLTSUINI-UHFFFAOYSA-N	371.418	4.589	5	40	FJBB	
Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccc([N+](=O)[O-])cc1	21540005	UMMFKURKNUGTQO-NRFANRHFSA-N	358.401	4.981	5	40	FJBB	
CC(C)c1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1	728530	NROXZPRPUYFZES-MFOYZWKCSA-N	370.792	4.716	5	40	FJBB	
S=C(NCCC1=CCCCC1)Nc1cc2cccnc2c2ncccc12	1104205	ADDUSLSMLXEQFP-UHFFFAOYSA-N	362.502	4.960	5	40	FJBB	
Cc1cc(NC(=O)c2cc3ccccc3o2)nc2c1c(=O)oc1ccccc12	4108220	FNUMNDMWTAYTNC-UHFFFAOYSA-N	370.364	4.648	5	40	FJBB	
COC(=O)[C@H](Oc1ccc2c(oc(=O)c3ccccc32)c1C)c1ccccc1	4747418	JIRWLAUOWUWOOC-OAQYLSRUSA-N	374.392	4.548	5	40	FJBB	
CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C	6243489	JNUFTWKRDYFNDA-LBPRGKRZSA-N	371.462	4.544	5	40	FJBB	
COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@@H]2c1cccc([N+](=O)[O-])c1	6668168	XQYSWHWKNJFTCV-WHSLLNHNSA-N	369.417	4.758	5	40	FJBB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Cl	7093809	KLUPJDONXCHVSQ-UHFFFAOYSA-N	371.245	4.774	5	40	FJBB	
COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	32806105	RLWXQAMYQOPBKE-IBGZPJMESA-N	369.421	4.753	5	40	FJBB	
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1Cl	218120609	ADWBRJYMNPOOFW-MRXNPFEDSA-N	374.824	4.589	5	40	FJBB	
O=C(O)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21	408999610	RMSRNYLKCTVUFC-KANUSWJPSA-N	364.401	4.590	5	40	FJBB	
Cc1ccc(N(CC(=O)c2ccc([N+](=O)[O-])cc2)C2=NCCCCC2)cc1	8411732	VDVCJPAVFLHICI-UHFFFAOYSA-N	365.433	4.565	5	40	FJBB	
Cc1cccc(C2(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCCC2)c1	72096857	UXWJLYGOFUJBKX-UHFFFAOYSA-N	358.825	4.756	5	40	FJBB	
COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1[N+](=O)[O-]	408577062	ZOZBEIHXVXUERS-FMIVXFBMSA-N	364.357	4.515	5	40	FJBB	
COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1	6181695	OKLNFUYJICSJMC-UHFFFAOYSA-N	356.165	4.554	5	40	FJBB	
CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1	714689	GIRHCQGOITWVTR-OAQYLSRUSA-N	373.412	4.928	5	40	FJBB	
Cn1c(-c2ccc(Cl)cc2)cn2cc(-c3cccc([N+](=O)[O-])c3)nc12	4678557	QZVDJCBULCTEIW-UHFFFAOYSA-N	352.781	4.568	5	40	FJBB	
Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)c(C)c1	5165433	WVMPWCXGNYKMMZ-UHFFFAOYSA-N	367.430	4.896	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(Cl)c(Cl)c1	225328534	ODZPUTBSBIPKBI-UHFFFAOYSA-N	353.205	4.781	5	40	FJBB	
O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(F)cc3)cc2)c1	408555024	GTIADJXDTPVFLX-UHFFFAOYSA-N	352.365	4.925	5	40	FJBB	
Cc1cc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(C)c1Cl	408705636	KGSXZIHYOWUHTJ-CYBMUJFWSA-N	362.813	4.579	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)C1(Cc2cccc(Cl)c2)CCCC1	1530525671	PNMOGAUKJMDTFO-UHFFFAOYSA-N	358.825	4.990	5	40	FJBB	
Cc1cccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-]	7306330	YBTSPQDBBFFGHF-UHFFFAOYSA-N	358.703	4.828	5	40	FJBB	
CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	20483054	KAJXEFHXKBGMBZ-CQSZACIVSA-N	369.204	4.698	5	40	FJBB	
COc1ccc(NC(=S)Nc2cc3ccncc3c3ncccc23)cc1	408974687	GSQDFUXTIZBRSI-UHFFFAOYSA-N	360.442	4.601	5	40	FJBB	
Cc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-]	9064450	PVVZEMTXCHROFU-OAHLLOKOSA-N	353.422	4.534	5	40	FJBB	
Cc1ccc([N+](=O)[O-])c(Oc2nc(-c3ccncc3)nc3ccccc23)c1	24102857	PSEYSQHWLOWFJX-UHFFFAOYSA-N	358.357	4.701	5	40	FJBB	
O=c1c2ccccc2oc2cc(OCc3ccccc3Cl)cc(O)c12	5443292	AUSPLHRDZNCPKK-UHFFFAOYSA-N	352.773	4.884	5	40	FJBB	biogenic
COc1cc(/C=C/c2nc3cc(C)c(C)cc3s2)cc([N+](=O)[O-])c1O	35593096	BWPUCNNYQZYRFA-SNAWJCMRSA-N	356.403	4.706	5	40	FJBB	
CC(C)CC1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccc([N+](=O)[O-])cc1	5446745	KXFJXGLGHUUOGC-AZUAARDMSA-N	351.406	4.835	5	40	FJBB	
CCCCN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O	5552424	GSEDOGHBOXXVPC-LFIBNONCSA-N	372.402	4.691	5	40	FJBB	
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(Br)cc1	6280636	DTXZWUUWBAQRHE-UHFFFAOYSA-N	369.602	4.571	5	40	FJBB	
O=C(c1ccc([N+](=O)[O-])s1)N(Cc1cccs1)Cc1cccs1	12614463	KDZULSJSDWDSLS-UHFFFAOYSA-N	364.473	4.622	5	40	FJBB	
Cc1ccccc1[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	20455987	SEPIIUOJQZAAKQ-NSFRLNINSA-N	372.424	4.822	5	40	FJBB	
CCCCOc1ccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2CC)cc1	72228719	OWJPKQAMEGLQMY-UHFFFAOYSA-N	356.422	4.897	5	40	FJBB	
Cc1ccccc1NC(=O)Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1	7889396	SSYCGPGQOXHPEX-UHFFFAOYSA-N	367.430	4.516	5	40	FJBB	
Cc1ccc2cccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)c2n1	16348847	SLRBURSVUGVUKF-JXMROGBWSA-N	367.792	4.757	5	40	FJBB	
O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc([N+](=O)[O-])ccc1F	21595412	ZSQCQDWWDBYJLZ-DHZHZOJOSA-N	352.321	4.646	5	40	FJBB	
Cc1ccccc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1	216280214	GHWABWQRFWPGGN-NRFANRHFSA-N	360.413	4.731	5	40	FJBB	
Cc1cc(C)c2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2c1	1518580	MQZUXACEOQJZJI-UHFFFAOYSA-N	361.810	4.727	5	40	FJBB	
CC(C)(C)OC(=O)N[C@H](Cc1c2ccccc2cc2ccccc12)C(=O)O	2389726	GYXDEFFXDFOZMJ-LJQANCHMSA-N	365.429	4.513	5	40	FJBB	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	2737348	RPHAGXHEOAVJAJ-SNVBAGLBSA-N	369.204	4.616	5	40	FJBB	
O=[N+]([O-])c1cccc(CSc2ccc3nc(-c4ccccc4)cn3n2)c1	4251290	UTEJUAOLEDMRCT-UHFFFAOYSA-N	362.414	4.597	5	40	FJBB	
CCCCNc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1[N+](=O)[O-]	20897736	PSCXYSIIVWNVNC-UHFFFAOYSA-N	368.393	4.532	5	40	FJBB	
CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]	817504	XTAXOIDJXOJWFM-UHFFFAOYSA-N	355.177	4.553	5	40	FJBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(C(F)(F)F)c1	1959249	XFGZSZXSZAPODZ-QPJJXVBHSA-N	370.714	4.919	5	40	FJBB	
C[C@@H](c1ccccc1)[C@@H]1OC[C@H](C[N+]2(Cc3ccccc3)CCCCC2)O1	4364517	JDFNXYLSSCARAW-NKKJXINNSA-N	366.525	4.733	5	40	FJBB	
Cc1c(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cccc1[N+](=O)[O-]	9064451	DUXLAWIJXVDJDZ-AWEZNQCLSA-N	353.422	4.534	5	40	FJBB	
O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)c(N3CCOCC3)s2)s1	16492814	MIUDDBSFFDGGJE-UHFFFAOYSA-N	372.471	4.888	5	40	FJBB	
Cc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1	97165895	CIMPNDSHSQEELK-UHFFFAOYSA-N	364.351	4.520	5	40	FJBB	
Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccccc1[N+](=O)[O-]	678124	FURHFBXWWPIRPI-UHFFFAOYSA-N	373.368	4.964	5	40	FJBB	
Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1C	3554228	VAEWHCDDFSODBQ-UHFFFAOYSA-N	353.403	4.587	5	40	FJBB	
O=[N+]([O-])c1cc(F)ccc1NC(=S)Nc1cccc(Cl)c1Cl	13840547	QKBZVUVNAPNRDC-UHFFFAOYSA-N	360.197	4.850	5	40	FJBB	
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc(Cl)sc1Cl	4173438	KIHIATRYRNXTBX-UHFFFAOYSA-N	374.230	4.825	5	40	FJBB	
O=C(CSc1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1	5215098	DEHVFPSDFCRYBG-UHFFFAOYSA-N	357.218	4.632	5	40	FJBB	
COc1ccc(C(=O)OCc2nc3ccccc3c3ccccc23)c(OC)c1	6608033	KNCKFFAGELEPNN-UHFFFAOYSA-N	373.408	4.762	5	40	FJBB	
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(OCC(C)C)cc1	9141737	OKPYCJGKBUAHBN-UHFFFAOYSA-N	362.813	4.844	5	40	FJBB	
COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1[N+](=O)[O-]	408620597	HPGNOCWHMXVYND-UHFFFAOYSA-N	372.764	4.769	5	40	FJBB	
S=C(NCCC1=CCCCC1)Nc1cc2cccnc2c2cccnc12	408977273	VCTVBGFNGHYTLL-UHFFFAOYSA-N	362.502	4.960	5	40	FJBB	
O=[N+]([O-])c1ccc(Oc2ccccc2CNc2ccccc2)c([N+](=O)[O-])c1	409114713	PVYLXMKMJYJQFG-UHFFFAOYSA-N	365.345	4.907	5	40	FJBB	
O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccccc1[N+](=O)[O-]	4331290	LCSFSPKDUSUIMG-UHFFFAOYSA-N	368.201	4.764	5	40	FJBB	
CC[N+]1(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CCCCCC1	36631468	NPGBPWCPUXGKPH-JOCHJYFZSA-N	354.514	4.504	5	40	FJBB	
C[C@@H](Sc1ccc(F)c(F)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	5565420	IKFWQUNBFUENGM-SECBINFHSA-N	363.345	4.776	5	40	FJBB	
CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1	225505665	LTCIYOWHUSJWAG-UHFFFAOYSA-N	368.433	4.834	5	40	FJBB	
Cc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1C	6028014	KTLLEJVZULIHGB-UHFFFAOYSA-N	373.459	4.552	5	40	FJBB	
Cc1nc(Oc2cccnc2[N+](=O)[O-])c2cc(-c3ccccc3)sc2n1	15164013	UZUXKEZXKUAWGT-UHFFFAOYSA-N	364.386	4.762	5	40	FJBB	
CCOc1cccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1	72229463	SXLQNTKTSLWOAB-UHFFFAOYSA-N	355.177	4.553	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCCC[C@]21c1ccccc1	84525235	GVICDQOKORSRKS-JXFKEZNVSA-N	351.406	4.528	5	40	FJBB	
[O-][n+]1c(-c2ccccc2)c(-c2ccccc2)[n+]([O-])c2cc3ccccc3cc21	1713820	NQGFGMMMZJLSLE-UHFFFAOYSA-N	364.404	4.594	5	40	FJBB	
CCN(CC)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1	6629922	YELGQNGGEIBQDT-UHFFFAOYSA-N	361.829	4.655	5	40	FJBB	
CCN(Cc1ccc(Cl)s1)C(=O)c1ccc([N+](=O)[O-])cc1Cl	7974801	SIBVJDGVLWKHEO-UHFFFAOYSA-N	359.234	4.625	5	40	FJBB	
CN(C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)C1CCCCC1	44901114	GJAPVZUUMLNNNY-LTGZKZEYSA-N	364.445	4.927	5	40	FJBB	
Cc1c(NC(=O)C2c3ccccc3Oc3ccccc32)cccc1[N+](=O)[O-]	2310395	MULSMCYFZGZXDQ-UHFFFAOYSA-N	360.369	4.780	5	40	FJBB	
CCOc1ccc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc1OC	6628118	ZPBBVZGUMQWLIZ-WEVVVXLNSA-N	356.403	4.782	5	40	FJBB	
O=C(O[C@H](c1ccccc1)c1ccccn1)c1ccc([N+](=O)[O-])cc1Cl	12526660	TWRZLMGBCXMNDG-GOSISDBHSA-N	368.776	4.590	5	40	FJBB	
Cc1cc(C(=O)N(Cc2cccs2)Cc2cccs2)ccc1[N+](=O)[O-]	12753021	CJVICEXMCLWWTJ-UHFFFAOYSA-N	372.471	4.869	5	40	FJBB	
Cc1c(NC(=O)c2ccccc2OCc2ccccc2)cccc1[N+](=O)[O-]	13687276	OPLGPLWTGJNGHU-UHFFFAOYSA-N	362.385	4.735	5	40	FJBB	
Cc1cccc(C(=O)n2nc(C)c(Sc3ccc([N+](=O)[O-])cc3)c2C)c1	3218479	SFGBWNZYPXWBMS-UHFFFAOYSA-N	367.430	4.556	5	40	FJBB	
COc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1)oc1ccccc12	3567032	WMMVDYLFHPERCH-UHFFFAOYSA-N	362.341	4.755	5	40	FJBB	
O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(F)c([N+](=O)[O-])c1	59055292	HZZZXXRNRABZJS-DHZHZOJOSA-N	352.321	4.646	5	40	FJBB	
O=[N+]([O-])c1cc(-c2nc(-c3ccccc3OC(F)F)no2)ccc1Cl	89262441	DODUDGNPXBTWCS-UHFFFAOYSA-N	367.695	4.567	5	40	FJBB	
COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	408556190	IYXLXNCBVFIJKD-UHFFFAOYSA-N	364.401	4.795	5	40	FJBB	
COc1ccc(-c2ccc(C(=O)Nc3ccccc3Cl)o2)c([N+](=O)[O-])c1	5034538	OCEPAXIERAOHDI-UHFFFAOYSA-N	372.764	4.769	5	40	FJBB	
O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)c(Br)c3)oc2c1	216744717	MGTCMIIVAWBUSL-UHFFFAOYSA-N	353.559	4.819	5	40	FJBB	
O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2C2CCCC2)cc1	5150727	KVRUNOMRYFGKBZ-UHFFFAOYSA-N	359.389	4.670	5	40	FJBB	
CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C	6243192	JNUFTWKRDYFNDA-GFCCVEGCSA-N	371.462	4.544	5	40	FJBB	
O=C(Nc1nc2ccccc2s1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	7064365	OWAOAQHZKNEAPR-UHFFFAOYSA-N	365.370	4.717	5	40	FJBB	
C[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1	29994387	OVOVGDHJASVTJY-SNVBAGLBSA-N	370.188	4.585	5	40	FJBB	
C[C@H]1C/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3c(C(=O)O)c2C1	33597398	SOXKAFNAHIIIQA-FRRXJZEGSA-N	374.396	4.964	5	40	FJBB	
CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1	4031843	YNFCMMMOFPCFSX-UHFFFAOYSA-N	362.385	4.913	5	40	FJBB	
C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)[N+](=O)[O-]	33828573	XUTNMURPRFWBQI-CSKARUKUSA-N	352.173	4.850	5	40	FJBB	
COc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl	1517898	URUKBQZMQINSAR-UHFFFAOYSA-N	372.764	4.769	5	40	FJBB	
CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc([N+](=O)[O-])c2)N3)C1	4545412	CLRHKFSHHLVFEE-QLJPJBMISA-N	357.435	4.600	5	40	FJBB	
O=[N+]([O-])c1ccccc1[C@H]1N=C(O)c2c(-c3ccccc3)csc2N1	4571738	BBPKPVGPSOJDMI-INIZCTEOSA-N	351.387	4.752	5	40	FJBB	
CC(C)(C)c1ccc(OCCNc2nc3ccc([N+](=O)[O-])cc3s2)cc1	59461241	HISBAWBIXZDYDR-UHFFFAOYSA-N	371.462	4.993	5	40	FJBB	
O=[N+]([O-])c1ccc(CSc2nnc(Nc3ccccc3F)s2)cc1	3464463	SMMZYOJQTBBKEP-UHFFFAOYSA-N	362.411	4.621	5	40	FJBB	
CC(C)c1ccc(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)cc1	4678651	MTEOEYXATBJTQD-UHFFFAOYSA-N	350.422	4.731	5	40	FJBB	
CCOc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	5233982	UNSDFWOAEHMFQV-UHFFFAOYSA-N	352.346	4.506	5	40	FJBB	
CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	22518348	IIQFWEIEQQCUPA-MRXNPFEDSA-N	362.813	4.661	5	40	FJBB	
Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1-c1ccccc1	31968369	SZRRZGWTPQJTLM-UHFFFAOYSA-N	373.821	4.932	5	40	FJBB	
Cc1cc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2cc1C	4586151	WTBTZAVMNQQWRC-UHFFFAOYSA-N	361.810	4.727	5	40	FJBB	
C[C@@]1(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1(Cl)Cl	4694468	CMRCJFVJAVHNGQ-INIZCTEOSA-N	365.216	4.784	5	40	FJBB	
COc1ccc([C@@H]2CC(=O)c3c(-c4cccc([N+](=O)[O-])c4)ccnc3C2)cc1	14164019	YQHZQBCSIXUHOO-INIZCTEOSA-N	374.396	4.578	5	40	FJBB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	408999093	WHXWPGLWRCNYTD-ASTIPKKCSA-N	364.401	4.590	5	40	FJBB	
O=[N+]([O-])c1ccc(N2CCC(c3nc4ccccc4s3)CC2)c(F)c1	58377769	VWSCSURGRRYDCJ-UHFFFAOYSA-N	357.410	4.728	5	40	FJBB	
CCCCOc1cccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1	6323588	DWUGJRQVAMORBR-UHFFFAOYSA-N	371.418	4.636	5	40	FJBB	
O=C(Nc1ccc(N2CCCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	10429855	LHXOOEUDBTWBGY-UHFFFAOYSA-N	367.430	4.662	5	40	FJBB	
O=C(c1ccccc1)c1ccc(Sc2nccn2C2CC2)c([N+](=O)[O-])c1	14322434	CFLFVZJEEIUUFF-UHFFFAOYSA-N	365.414	4.508	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)NC1(Cc2ccc(Cl)cc2)CCC1	1216793213	QBTVQXPJCCSVFO-UHFFFAOYSA-N	359.813	4.535	5	40	FJBB	
Cc1ccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1F	2118787	VFIPKOYDXGGRCI-UHFFFAOYSA-N	361.372	4.750	5	40	FJBB	biogenic
CC(C)c1ccccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	4122592	SFRPTRRMLVDHMF-UHFFFAOYSA-N	353.422	4.571	5	40	FJBB	
Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C	831603	QCEXGCNUGABTFO-NRFANRHFSA-N	373.412	4.983	5	40	FJBB	
O=[N+]([O-])c1cc2c(cc1/C=C/c1ccccc1)[C@H](O)[C@H](c1ccccc1)N2	3845006	ITOQIWZOAQFVLF-KFDAMUOLSA-N	358.397	4.965	5	40	FJBB	
CCCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC	7653241	POMWDRYKPNZNJP-UHFFFAOYSA-N	372.421	4.733	5	40	FJBB	
Cc1c(C(=O)Nc2ccc(Br)cc2Cl)cccc1[N+](=O)[O-]	14785365	GJAKITFEUDAKDB-UHFFFAOYSA-N	369.602	4.571	5	40	FJBB	
CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ccccc21	409122311	XRMMSSPARIZBIU-LGMDPLHJSA-N	360.369	4.762	5	40	FJBB	
O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@H]3C[C@@H](c4ccccc4)NN32)c1	19171700	JHBBRCDFRDNVNA-TUNNFDKTSA-N	373.412	4.679	5	40	FJBB	
CC1CCN(C(=S)c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)CC1	107825555	CSCXGVKDAMQBQO-UHFFFAOYSA-N	370.474	4.581	5	40	FJBB	
CC1=CC(C)(C)Nc2ccc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc21	832683	NMJHHBNZLJFWCS-IZZDOVSWSA-N	364.401	4.821	5	40	FJBB	
Cc1csc(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])n1	3324502	ONZDVSINHWUGTN-UHFFFAOYSA-N	356.428	4.742	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1	40913277	VOAKMJGDFLTSGK-ZDUSSCGKSA-N	362.813	4.579	5	40	FJBB	
Cc1ccccc1-c1nnc(Sc2ccc([N+](=O)[O-])c3cnccc23)o1	57681870	KAEXBKIGALIYEI-UHFFFAOYSA-N	364.386	4.653	5	40	FJBB	
O=[N+]([O-])c1ccc(-c2csc(/C=C/c3ccc4c(c3)OCO4)n2)cc1	6786890	NNWKJLKELQLPEG-KRXBUXKQSA-N	352.371	4.617	5	40	FJBB	
Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]	655008	QZODJSOFKXPGAF-QPJJXVBHSA-N	351.189	4.862	5	40	FJBB	
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(F)cc1F	8071786	WDATVOBRRDKEJE-JXMROGBWSA-N	370.311	4.785	5	40	FJBB	
O=C(Nc1ccccc1SCC(F)(F)F)c1ccc([N+](=O)[O-])cc1	14900875	ZUQKWEUPQRNSQV-UHFFFAOYSA-N	356.325	4.502	5	40	FJBB	
O=C(OCc1ccccc1)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1	408976450	QZTSPYSQRKJCEF-UHFFFAOYSA-N	369.380	4.980	5	40	FJBB	
CC(C)c1ccc(-c2nc(COc3cccnc3[N+](=O)[O-])cs2)cc1	9466330	ACHADFNQVJQFRC-UHFFFAOYSA-N	355.419	4.816	5	40	FJBB	
CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	20493050	KZZRSPDTOSTRFO-GOSISDBHSA-N	350.374	4.544	5	40	FJBB	
COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C	225537863	BUELCARWCAVYNK-UHFFFAOYSA-N	368.433	4.752	5	40	FJBB	
O=C(Nc1cc2ccncc2c2ncccc12)N1CC[C@H](c2ccccc2)C1	408978155	YLIGNMQZFQGDBY-SFHVURJKSA-N	368.440	4.804	5	40	FJBB	
COc1ccc(NCc2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1	409121730	ZQFXLTUSONTHRV-UHFFFAOYSA-N	364.401	4.795	5	40	FJBB	
CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1	5219122	GRPZEOFRPMQRPB-QFIPXVFZSA-N	370.412	4.998	5	40	FJBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2sccc2[C@@H]1c1cccs1	7946970	JZRGVSFIPDCLHZ-QGZVFWFLSA-N	370.455	4.506	5	40	FJBB	
C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1	13670892	DOKFLVALIYZPMG-NRUITVPNSA-N	352.434	4.783	5	40	FJBB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	13708755	SSAUCOMURNIRLD-LBPRGKRZSA-N	370.792	4.807	5	40	FJBB	
CC[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(C)c(C)c1	218052273	NNEPAUIRACROBO-IBGZPJMESA-N	372.490	4.712	5	40	FJBB	
O=[N+]([O-])c1cc(Oc2ccc3oc4c(c3c2)CCCC4)cc([N+](=O)[O-])c1	3038214	UOJDHDSJVRXJOO-UHFFFAOYSA-N	354.318	4.920	5	40	FJBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1cccc(Cl)c1)Cc1ccco1	16753962	RVNAKTYARZEQJV-UHFFFAOYSA-N	370.792	4.684	5	40	FJBB	
Cc1sc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1	17242573	HZFJLOJKBSSPHT-XFXZXTDPSA-N	365.414	4.679	5	40	FJBB	
O=C(Nc1cccnc1Cl)c1sc2c([N+](=O)[O-])cccc2c1Cl	21595637	WQWNFNYXXOEKLV-UHFFFAOYSA-N	368.201	4.764	5	40	FJBB	
COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1	408995779	NISSAZXJCVFJIH-KIXCERJESA-N	350.418	4.900	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1cccc2ccccc12	409176841	ZDAITMSXXTYTRI-UHFFFAOYSA-N	352.415	4.787	5	40	FJBB	
O=[N+]([O-])c1cc2c(cc1C=Cc1ccccc1)[C@H](O)[C@@H](c1ccccc1)N2	2049239200	ITOQIWZOAQFVLF-YADHBBJMSA-N	358.397	4.965	5	40	FJBB	
CSc1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	4517392	WAVIEQKXGNYVPN-UHFFFAOYSA-N	371.443	4.693	5	40	FJBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1-c1ccccc1	11619025	IJCRPUJYIVVNKF-UHFFFAOYSA-N	361.401	4.621	5	40	FJBB	
COc1cc(CNc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	237287605	ATGAOTXXLGNOKO-UHFFFAOYSA-N	364.401	4.795	5	40	FJBB	
Cc1nn(Cc2csc(-c3ccc(C(C)C)cc3)n2)c(C)c1[N+](=O)[O-]	7391628	SGUZTDRXEUACCQ-UHFFFAOYSA-N	356.451	4.703	5	40	FJBB	
O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2C2CC2)cc1	7763495	FQWUCAWWNQDFBE-UHFFFAOYSA-N	358.448	4.542	5	40	FJBB	
O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)c([N+](=O)[O-])c1	6329272	PARVVQIOQVINFO-UHFFFAOYSA-N	368.201	4.764	5	40	FJBB	
Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(Cl)cc1Cl	72228831	IMYSWINHYHBBCL-UHFFFAOYSA-N	369.204	4.536	5	40	FJBB	
Cc1cccc2sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc12	4194498	KRWRFHBULXYDEX-UHFFFAOYSA-N	369.427	4.980	5	40	FJBB	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(CCc2ccccc2)CC1	11228304	SUSZUSAPMWUFGC-UHFFFAOYSA-N	372.852	4.733	5	40	FJBB	
COc1cc([N+](=O)[O-])cc2sc(Nc3nc4cc(C)c(C)cc4o3)nc12	57352702	UTYYCUQHLTWFEJ-UHFFFAOYSA-N	370.390	4.715	5	40	FJBB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)C2)cc1	6086278	UWGCZSFTAULFNQ-JOCHJYFZSA-N	373.412	4.959	5	40	FJBB	
Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1[N+](=O)[O-]	6478334	FGEDVWDOFKMRFC-UHFFFAOYSA-N	369.602	4.571	5	40	FJBB	
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccc(C(C)C)cc1	9141757	MAGQJAOOCGNHRQ-UHFFFAOYSA-N	362.813	4.698	5	40	FJBB	
Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1	686980	JNGCDHRRYKSWIP-UHFFFAOYSA-N	373.368	4.964	5	40	FJBB	
O=C(Oc1ccc(Cl)c2cccnc12)c1ccc(Cl)c([N+](=O)[O-])c1	7612475	LOHLNQWYCKEMDV-UHFFFAOYSA-N	363.156	4.669	5	40	FJBB	
O=C1OC(c2ccc3ccccc3c2)=N/C1=C\C=C\c1cccc([N+](=O)[O-])c1	13785338	BIHRFUPIVHZRBL-GRJRDJAOSA-N	370.364	4.649	5	40	FJBB	
Cc1[nH]c2ccccc2c1[C@@H](C[N+](=O)[O-])c1ccc(Br)cc1	907784	HNDLKTLJICGRFP-HNNXBMFYSA-N	359.223	4.647	5	40	FJBB	
O=C(Nc1ccc2c(c1)OCCCO2)c1cc2ccccc2c2cccnc12	58911768	SKOOCGKTNYGTSP-UHFFFAOYSA-N	370.408	4.802	5	40	FJBB	
Cc1cccc(C(=O)Nc2ccccc2N2CCCCCC2)c1[N+](=O)[O-]	12822036	UDYANZADZLGJFI-UHFFFAOYSA-N	353.422	4.536	5	40	FJBB	
O=[N+]([O-])c1cc(Cl)ccc1OCc1noc(-c2ccc(Cl)cc2)n1	31708869	ZZYLULNBDXXMFN-UHFFFAOYSA-N	366.160	4.531	5	40	FJBB	
Cc1ccc(OC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1	408975437	KHIONEPKIPCWQY-UHFFFAOYSA-N	353.381	4.792	5	40	FJBB	
CC(CNc1ccc(Cl)cc1)(CNc1ccc(Cl)cc1)[N+](=O)[O-]	1724552	HBBMRZZBXBDGHN-UHFFFAOYSA-N	354.237	4.553	5	40	FJBB	
COc1ccc(NC(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc12	5447291	NUNAPUPCOAPIAA-UHFFFAOYSA-N	363.804	4.697	5	40	FJBB	
CC(C)N1c2ccccc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2	2326540	RSZXVSYKICUXJF-OAQYLSRUSA-N	350.418	4.903	5	40	FJBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1N1CCCC1	107937320	XZVXOZKAWYNBPI-MDZDMXLPSA-N	371.824	4.500	5	40	FJBB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1Cl	218124991	SDVBARJHDQDLAW-INIZCTEOSA-N	374.824	4.589	5	40	FJBB	
Cc1ccc(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)o2)cc1C	6205772	JMQHSWNPPILPQY-UHFFFAOYSA-N	354.337	4.863	5	40	FJBB	
COc1ccc(-c2noc(-c3cc4c(ccc5ccccc54)oc3=O)n2)cc1	6816404	ZBXMFBNBKKCWNI-UHFFFAOYSA-N	370.364	4.672	5	40	FJBB	
Cc1ccccc1[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	20460087	IFCRLRUISAFHAH-HRNYAPDYSA-N	372.424	4.822	5	40	FJBB	
COc1ccc(-c2cc(C(=O)O)nc3ccc4ccccc4c23)cc1OC	1069701	QGRKLIDDUPCAJK-UHFFFAOYSA-N	359.381	4.770	5	40	FJBB	
COc1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	6762575	BIPKEKNOYJJNOQ-UHFFFAOYSA-N	372.764	4.769	5	40	FJBB	
CCCCOc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1	14258340	FBDMFRTXHYXDNJ-UHFFFAOYSA-N	362.813	4.988	5	40	FJBB	
O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1ccc(F)cc1	3068175	ULNCUHKZVQAYGV-UHFFFAOYSA-N	369.377	4.532	5	40	FJBB	
O=[N+]([O-])c1c(Cl)nc2c(Br)cc(Cl)cc2c1Cl	95098223	OFJLWUFVOGVZNF-UHFFFAOYSA-N	356.390	4.866	5	40	FJBB	
CC(C)(C)c1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1	1036317	QJLMZJWWKYHMNC-UHFFFAOYSA-N	353.378	4.521	5	40	FJBB	
CCCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1	409103946	HUXCVAQPFVTJJA-UHFFFAOYSA-N	354.435	4.556	5	40	FJBB	
O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@@H]3C[C@H](c4ccccc4)NN32)c1	36286709	JHBBRCDFRDNVNA-RZUBCFFCSA-N	373.412	4.679	5	40	FJBB	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)OCc1cc(=O)oc2ccc3ccccc3c12	102244157	AAQDJAHOLKXVGF-BHYGNILZSA-N	362.425	4.816	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](CO)c1cccc(Cl)c1Cl	595827264	BGBKMRVPNYRXDZ-BDJLRTHQSA-N	369.248	4.594	5	40	FJBB	
Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2C)nc1-c1ccc(F)cc1	6994133	ZJVGNJSJPARQBE-UHFFFAOYSA-N	371.393	4.727	5	40	FJBB	
Cc1ccc(CN2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1	54278181	JJBIIZSHLUKWCR-UHFFFAOYSA-N	371.436	4.915	5	40	FJBB	biogenic
Cc1cc(C)n(-c2nc(-c3ccccc3)c([N+](=O)[O-])c(-c3ccccc3)n2)n1	12954035	NRYIISFCABNYHK-UHFFFAOYSA-N	371.400	4.521	5	40	FJBB	
COc1ccc([N+](=O)[O-])cc1NCc1ncc(-c2ccc(Cl)cc2)o1	25908199	RGLDUJMXTRYONQ-UHFFFAOYSA-N	359.769	4.524	5	40	FJBB	
CCc1c(CC)c2ccc(OC(C)=O)cc2c2cc(OC(C)=O)ccc12	1713129	OOASJQLYVWAIJD-UHFFFAOYSA-N	350.414	4.968	5	40	FJBB	
CC[C@H](C)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	408622601	PIFGUEFPAPUFJX-HNNXBMFYSA-N	367.449	4.961	5	40	FJBB	
O=[N+]([O-])c1cc(-c2noc(C3CCCCC3)n2)ccc1N1CCCCC1	9669053	NOVRZWSRQFOGBF-UHFFFAOYSA-N	356.426	4.683	5	40	FJBB	
Cc1ccc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc2c1C	4275370	XWPDAVBMWHVNSJ-UHFFFAOYSA-N	361.810	4.727	5	40	FJBB	
O=[N+]([O-])c1ccc(N[C@H](c2ccc3c(c2)OCCO3)C2CC2)c(Cl)c1	84452245	FVDKACGCBZSRFC-SFHVURJKSA-N	360.797	4.583	5	40	FJBB	
O=C(Nc1cccc(F)c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408624059	UBKZSMZLCRUKEH-UHFFFAOYSA-N	360.728	4.900	5	40	FJBB	
O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1ccc([N+](=O)[O-])cc1Cl	12929289	QJDMIIZXIPYEAB-UHFFFAOYSA-N	374.755	4.577	5	40	FJBB	
O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc([N+](=O)[O-])o1	2709760	ZPSXPQXNGSGULA-UHFFFAOYSA-N	365.370	4.717	5	40	FJBB	
O=C(Nc1ccc([C@@H]2CC2(Cl)Cl)cc1)c1cccc([N+](=O)[O-])c1	4703797	TUPUJUNZMBKDGA-AWEZNQCLSA-N	351.189	4.508	5	40	FJBB	
CC(C)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21	11247263	JSRMZMILTUUBSF-UHFFFAOYSA-N	370.452	4.917	5	40	FJBB	
O=C(Nc1ccccc1OC(F)F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408619509	CLYKRNBTSHDRLM-UHFFFAOYSA-N	374.299	4.709	5	40	FJBB	
CCCCOc1ccc(C[N+](C)(CC)CC)cc1C[N+](C)(CC)CC	1791946	LNWVECDTISOFJQ-UHFFFAOYSA-N	350.591	4.838	5	40	FJBB	
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccc([N+](=O)[O-])c1	3554240	NRKMAXCUPYZERM-UHFFFAOYSA-N	365.823	4.686	5	40	FJBB	
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1	7688115	UBPQDJLBPMVTRF-UHFFFAOYSA-N	368.311	4.655	5	40	FJBB	
Cc1cccc(C2=N/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)O2)c1	41108851	YUCBBDOFDATRNH-LDADJPATSA-N	374.352	4.508	5	40	FJBB	
Cc1ccc2cccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2n1	6672212	HCJMMCFPGJYFNA-UHFFFAOYSA-N	373.368	4.964	5	40	FJBB	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc3nc4ccccc4nc3c2)C1	408976128	PKUDHGUCLQPWDZ-QMHKHESXSA-N	359.473	4.824	5	40	FJBB	
COc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1	5034532	XCRDOGPAZXYJBG-UHFFFAOYSA-N	372.764	4.769	5	40	FJBB	
O=[N+]([O-])c1ccc(CSc2ncnc3sc4c(c23)CCCC4)cc1	853642	MKGYCOHSKBRAHV-UHFFFAOYSA-N	357.460	4.771	5	40	FJBB	
COc1ccc(Oc2cc(Nc3ccc([N+](=O)[O-])cn3)ccc2OC)cc1	11607062	BTNUTLVJTYHEOF-UHFFFAOYSA-N	367.361	4.543	5	40	FJBB	
COc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1[N+](=O)[O-]	12971571	FFFSRBCHKSHADB-UHFFFAOYSA-N	368.433	4.532	5	40	FJBB	
O=[N+]([O-])c1ccc(NCC2(c3cccc(F)c3)CCOCC2)c(Cl)c1	58363120	QMESNIDVEKFZNG-UHFFFAOYSA-N	364.804	4.548	5	40	FJBB	
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc([N+](=O)[O-])cc1	1001952	ATGZZVGGOSSYOU-UHFFFAOYSA-N	365.823	4.686	5	40	FJBB	
Cc1ccc2c(c1)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)CC(C)(C)O2	218124819	ZXJJBDMMTJEXLY-INIZCTEOSA-N	374.824	4.589	5	40	FJBB	
O=[N+]([O-])c1cccc(NCc2ccc(OCc3cccc(F)c3)cc2)c1	408556098	HOLDKXWVTMAGSK-UHFFFAOYSA-N	352.365	4.925	5	40	FJBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(OC2CCCC2)cc1	217894132	UIACHVOXCPWJNP-VGOFMYFVSA-N	352.390	4.568	5	40	FJBB	
c1ccc(-n2nnnc2SCc2nc3ccccc3c3ccccc23)cc1	4455951	CXCDRWDVOPRNEV-UHFFFAOYSA-N	369.453	4.656	5	40	FJBB	
Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Cl)cc1	6185172	KBSRGEKZWDXPEK-UHFFFAOYSA-N	373.821	4.932	5	40	FJBB	
Cc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1[N+](=O)[O-]	12982797	WRGBPKIJTJWICV-UHFFFAOYSA-N	359.432	4.649	5	40	FJBB	
Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-]	5125470	YNJSNGPLPTUNQG-UHFFFAOYSA-N	373.368	4.964	5	40	FJBB	
O=C(Cc1ccc(Cl)cc1)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl	72229019	NUHTWIBDUXXEBN-UHFFFAOYSA-N	359.596	4.736	5	40	FJBB	
CC[N@+]1(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C[C@@H](C)C[C@@H](C)C1	245229239	RQMGHMQKNALBEM-KAQDMCDHSA-N	368.541	4.606	5	40	FJBB	
O=[N+]([O-])c1cccnc1N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1	75094639	IBTCVMFXCIXSIS-AWEZNQCLSA-N	351.328	4.740	5	40	FJBB	
C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	408629164	NEKBXUILYBWWLT-ZDUSSCGKSA-N	373.840	4.879	5	40	FJBB	
O=C1Nc2ccccc2/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1	409110299	BGBHYKGRHOWYCI-MOSHPQCFSA-N	372.380	4.667	5	40	FJBB	
O=C(OCc1nc2ccccc2s1)c1cc2cc([N+](=O)[O-])ccc2s1	3200411	VPQUKZZUSSUMIU-UHFFFAOYSA-N	370.411	4.776	5	40	FJBB	
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	6304864	MPFSBIRVZAENQA-UHFFFAOYSA-N	369.204	4.698	5	40	FJBB	
O=[N+]([O-])c1ccc2nc(NCCOc3ccc4ccccc4c3)sc2c1	59461251	LJVWPAZYARZOKR-UHFFFAOYSA-N	365.414	4.849	5	40	FJBB	
COc1cc(C)c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1C(C)C	223264091	PZTLZCYFEGBRGX-OAHLLOKOSA-N	370.449	4.835	5	40	FJBB	
COc1ccc2c(-c3cc4c(ccc5ccccc54)oc3=O)cc(=O)oc2c1	2157224	LBQHSUXRGBXBMI-UHFFFAOYSA-N	370.360	4.728	5	40	FJBB	biogenic
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](c1ccc(F)cc1)c1cccs1	12752039	YMCMKABMAOHKKW-QGZVFWFLSA-N	371.393	4.707	5	40	FJBB	
CCc1nc2oc3c(ccc4ccccc43)c(=O)c2c2nc3ccccc3n12	5208974	WXPJRUPEPQKFJK-UHFFFAOYSA-N	365.392	4.858	5	40	FJBB	
Cc1ccc(S(=O)(=O)Nc2ccnc3c2ccc2ccccc23)cc1C	40384242	MLTOKSHAGUUXPR-UHFFFAOYSA-N	362.454	4.806	5	40	FJBB	
Cc1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1	59294412	WQGAOZPOSYGQGW-UHFFFAOYSA-N	370.449	4.997	5	40	FJBB	
CCCOc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1	72229469	ICHOHFDOYBZUDH-UHFFFAOYSA-N	369.204	4.943	5	40	FJBB	
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)cc3)c2n1	95865023	OHLFWLUPLZLCGD-UHFFFAOYSA-N	351.793	4.894	5	40	FJBB	
O=C(Nc1ccccc1F)c1ccc2[nH]c3nc4ccccc4nc3c2c1	408974980	HCZGEDWHNNZDTO-UHFFFAOYSA-N	356.360	4.656	5	40	FJBB	
CCCCCn1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21	1872182	MMGCGUOJAYAVAJ-UHFFFAOYSA-N	361.405	4.745	5	40	FJBB	
O=C(/C=C/c1ccco1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1	6191185	MOQAMWWXAVPJIC-CSKARUKUSA-N	354.369	4.509	5	40	FJBB	
Cc1ccc([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2cccs2)cc1	12870377	NGTICTSMZFLIKK-SFHVURJKSA-N	367.430	4.876	5	40	FJBB	
C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1	13670891	DOKFLVALIYZPMG-XETPBLJFSA-N	352.434	4.783	5	40	FJBB	
O=C(Nc1ccccc1F)c1sc2c([N+](=O)[O-])cccc2c1Cl	59294505	PYKFIJUREXGNOJ-UHFFFAOYSA-N	350.758	4.854	5	40	FJBB	
O=[N+]([O-])c1ccc2nc(-c3ccc(Br)cc3Cl)oc2c1	216744781	BMVBDRLHLZQRAC-UHFFFAOYSA-N	353.559	4.819	5	40	FJBB	
O=C(OCc1csc(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1Cl	2653208	XWTXCTBXUNRUPN-UHFFFAOYSA-N	374.805	4.729	5	40	FJBB	
CC(C)CC1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccc([N+](=O)[O-])cc1	5446746	KXFJXGLGHUUOGC-UYAOXDASSA-N	351.406	4.835	5	40	FJBB	
CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc2c(C)cccc2s1	6205474	FNUJQCSHVVXNAW-ZHACJKMWSA-N	367.430	4.579	5	40	FJBB	
O=[N+]([O-])c1ccc(CSc2nn(-c3ccccc3)c(=S)s2)cc1	6543601	ZGVIXUCAHWJLFU-UHFFFAOYSA-N	361.473	4.864	5	40	FJBB	
O=[N+]([O-])c1cc2c(cc1/C=C\c1ccccc1)[C@@H](O)[C@@H](c1ccccc1)N2	13403315	ITOQIWZOAQFVLF-COZHZMBOSA-N	358.397	4.965	5	40	FJBB	
Cc1cc(-c2ccc(/C=C\c3onc(C)c3[N+](=O)[O-])o2)cc([N+](=O)[O-])c1C	408541109	BNGMLVZSHBPQTI-ALCCZGGFSA-N	369.333	4.847	5	40	FJBB	
Cc1ccc(C)c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1	8389447	SBZCXGLPGGOJPT-LBPRGKRZSA-N	364.854	4.984	5	40	FJBB	
Cc1c(-c2ccc([N+](=O)[O-])cc2)oc2c(Cl)cc(Cl)cc2c1=O	3294600	JTSQJPJCLFQZGJ-UHFFFAOYSA-N	350.157	4.983	5	40	FJBB	
Cc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1	3603683	CXAAZUXFWBZWDC-UHFFFAOYSA-N	369.602	4.571	5	40	FJBB	
C[C@]12CC3CC(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)(C1)C[C@](C)(C3)C2	100280644	PFFLPYSAXZCSIV-PCJZUQFSSA-N	362.857	4.727	5	40	FJBB	
Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	3634731	CTJGKPUXTOVHIK-FQEVSTJZSA-N	359.385	4.674	5	40	FJBB	
O=C1OC(c2ccc3ccccc3c2)=N/C1=C\C=C\c1ccc([N+](=O)[O-])cc1	13798938	NCZGVLVZJFIUHT-SUOULJECSA-N	370.364	4.649	5	40	FJBB	
Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])cc1C	9255521	JBUYVBUEIRUEKE-UHFFFAOYSA-N	362.813	4.661	5	40	FJBB	
COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1	408995778	NISSAZXJCVFJIH-JPVNBAAASA-N	350.418	4.900	5	40	FJBB	
O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(F)cc3)cc2)cc1	409198860	FZEUHUHCVYQXBD-UHFFFAOYSA-N	352.365	4.925	5	40	FJBB	
CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1c2ccccc2CCc2ccccc21	6176727	FYEGSOAMXOORHB-UHFFFAOYSA-N	373.412	4.519	5	40	FJBB	
Cc1ccccc1-c1nnc(SCCCOc2ccc([N+](=O)[O-])cc2)o1	48363519	SUHWDVKCRAWMEB-UHFFFAOYSA-N	371.418	4.514	5	40	FJBB	
Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1	5737561	XWVILFPRDISXFO-UHFFFAOYSA-N	353.403	4.587	5	40	FJBB	
O=[N+]([O-])c1cc2c(cc1/C=C/c1ccc3ccc(Cl)cc3n1)OCO2	84383487	DDPMFFGJDMWEAF-ZZXKWVIFSA-N	354.749	4.696	5	40	FJBB	
O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])o1	830429	BUBOVCVFKJMRFM-UHFFFAOYSA-N	365.370	4.717	5	40	FJBB	
O=C(CSCc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl	8907631	DCHUKDJYJCXRLR-UHFFFAOYSA-N	371.245	4.774	5	40	FJBB	
COc1ccc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C)c([N+](=O)[O-])c1	36392585	GLDUSFMJNLPFDJ-QGZVFWFLSA-N	357.410	4.512	5	40	FJBB	
Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1C	9645667	CPZUCOWNIUYIND-UHFFFAOYSA-N	360.413	4.982	5	40	FJBB	
O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H]1c1ccsc1	48236560	XNMDVHUMVYLFLY-AWEZNQCLSA-N	358.444	4.848	5	40	FJBB	
O=C(Nc1cc2ncccc2c2cccnc12)N1CC[C@H](c2ccccc2)C1	408976355	QSVGKYYAVWWWCO-KRWDZBQOSA-N	368.440	4.804	5	40	FJBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1Oc1ccccc1	3307254	UEQZFHKEQGBAPZ-UHFFFAOYSA-N	364.357	4.648	5	40	FJBB	
CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cc(-c2ccccc2)n1	408582381	NKYYXVOQBVJHOL-UHFFFAOYSA-N	365.414	4.714	5	40	FJBB	
CCC1(CC)O[C@H]2c3cc([N+](=O)[O-])ccc3O[C@@H](C)N2c2ccccc21	5092254	VCQQTGZTHRRFRJ-DJJJIMSYSA-N	354.406	4.884	5	40	FJBB	
C[C@@H]1Cc2ccccc2N1C(=O)Nc1cc2cccnc2c2cccnc12	408973339	AODZPNWYQXMGRE-CQSZACIVSA-N	354.413	4.766	5	40	FJBB	
O=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)NC1CCCCC1	409001552	WMYOQUAXPQTCAL-UHFFFAOYSA-N	359.433	4.719	5	40	FJBB	
CC1=C[C@@H](C)[C@@H](CN(CCC[N+](C)(C)C)C(=O)Nc2ccccc2)[C@H](C)C1	101840684	BUAJNOTVFDETEE-KCZVDYSFSA-O	372.577	4.855	5	40	FJBB	
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1cccc2ccccc12	837262	HZCIMGIAWZKXEH-UHFFFAOYSA-N	368.348	4.702	5	40	FJBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccc1	985486	DUDANVRJAASBSY-CCEZHUSRSA-N	358.397	4.841	5	40	FJBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2cccnc2)cc1/C=C\c1cccnc1	4830623	JXNZSYXHHWKUQG-SFECMWDFSA-N	374.356	4.634	5	40	FJBB	
O=[N+]([O-])c1ccc(CCN2CCC[C@@H]2c2nc3ccccc3s2)cc1	51427775	YVQUOYCJKHHJRW-QGZVFWFLSA-N	353.447	4.584	5	40	FJBB	
O=[N+]([O-])c1cccc(CSCCCc2nc(-c3cccs3)no2)c1	32778652	IKMMOARCUMCGSC-UHFFFAOYSA-N	361.448	4.572	5	40	FJBB	
Cc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1[N+](=O)[O-]	12849878	KRAXFXDNUOUVNG-UHFFFAOYSA-N	372.471	4.869	5	40	FJBB	
Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCCc1c[nH]c2ccccc12	3330913	ZXPJDDDDGWZOJO-UHFFFAOYSA-N	351.406	4.654	5	40	FJBB	
O=[N+]([O-])c1nc(Oc2ccccc2)n(C(c2ccccc2)c2ccccc2)n1	5047218	CHBPQSNFUKJIJK-UHFFFAOYSA-N	372.384	4.616	5	40	FJBB	
O=C(/C=C/c1ccc(F)cc1)OCc1cc(=O)oc2ccc3ccccc3c12	6886382	RIILYMUDRSKSJC-KPKJPENVSA-N	374.367	4.842	5	40	FJBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccs1)Cc1cccs1	12753653	BRXHJHDHWGFBPI-UHFFFAOYSA-N	358.444	4.560	5	40	FJBB	
O=c1c2ccccc2c2ccccc2c(=O)n1-c1cc(Cl)ccc1Cl	2716180	KFCQJFUSQZMSQN-UHFFFAOYSA-N	368.219	4.811	5	40	FJBB	
O=c1c2ccccc2sc2nc(-c3ccco3)n3c4ccccc4nc3c12	5207679	COFVGIJQPHABOK-UHFFFAOYSA-N	369.405	4.871	5	40	FJBB	
Cc1ccc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	11400326	VXKYDJUICUPHPI-NSHDSACASA-N	350.827	4.676	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1	95977159	FFTUUECSEQUJAN-UTKZUKDTSA-N	365.433	4.836	5	40	FJBB	
COc1ccc(OC)c2c1[C@@H]1CCCC[C@@H]1O[C@@H]2c1ccccc1[N+](=O)[O-]	4789082	ZIAKEACEGLRLJF-IVZHQMGZSA-N	369.417	4.758	5	40	FJBB	
CCN(CC)CCSc1c2ccccc2nc2c(OC)ccc(OC)c12	5499403	JZXAAMBURSYXLD-UHFFFAOYSA-N	370.518	4.839	5	40	FJBB	
CCn1c(SCc2cccc([N+](=O)[O-])c2C)nnc1-c1cccs1	40122867	NRMNUAPRWDICLX-UHFFFAOYSA-N	360.464	4.535	5	40	FJBB	
Cc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1C	1081662	LPEYJMNBTSPUEW-UHFFFAOYSA-N	371.396	4.578	5	40	FJBB	
O=C(O)/C(=C/c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	1725988	KIBRLGQDGADSDK-NTUHNPAUSA-N	371.698	4.892	5	40	FJBB	
COc1cc2c(cc1OCc1ccccc1)[C@H](CC(C)C)[N+](C)(C)CC2	4273399	QGKWILCMJYQDDS-NRFANRHFSA-N	354.514	4.994	5	40	FJBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2sccc2[C@H]1c1cccs1	7946969	JZRGVSFIPDCLHZ-KRWDZBQOSA-N	370.455	4.506	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1O)C1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12	4595387	YWCQKKGLXGBROQ-UFBKQNNJSA-N	356.422	4.568	5	40	FJBB	
CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c1[N+](=O)[O-]	5139143	MYVMMXACRYYJJK-UHFFFAOYSA-N	369.727	4.802	5	40	FJBB	
O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(Cl)c1	89800414	NLDDDEDQQSONES-MRXNPFEDSA-N	374.824	4.751	5	40	FJBB	
C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2	222900965	BOFNCBRGQDMXCK-GFCCVEGCSA-N	358.825	4.618	5	40	FJBB	
Cc1c(NC(=O)CCc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-]	225328641	NAEIEEVSTJMQGQ-UHFFFAOYSA-N	353.205	4.781	5	40	FJBB	
Cc1[nH]c2ccccc2c1[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccn1	4123457	CUWCPGCUDWGNDY-OAQYLSRUSA-N	358.401	4.981	5	40	FJBB	
CSc1ccc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1[N+](=O)[O-]	12987211	OVZVUIRIFGABKJ-LBPRGKRZSA-N	374.487	4.848	5	40	FJBB	
Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(C(C)(C)C)cc1	72228786	OGMHLZBSUSWLBK-UHFFFAOYSA-N	356.422	4.527	5	40	FJBB	
O=C(/C=C/c1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1	5861611	MFISAKBYBWHVHX-FPYGCLRLSA-N	359.794	4.510	5	40	FJBB	
Cc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-]	409192892	GRABTLBYHWESDL-OQLLNIDSSA-N	374.805	4.798	5	40	FJBB	
O=c1oc2c3c(ccc2c2ccccc12)OCN(c1ccc(F)c(F)c1)C3	2113735	MINPXOMAGJLTKO-UHFFFAOYSA-N	365.335	4.581	5	40	FJBB	biogenic
Cc1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)nc2c1	4150583	NJULZDXXWALVCW-UHFFFAOYSA-N	363.329	4.557	5	40	FJBB	
CCCCc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1	1818817	LBWJWUKIBLMWBP-UHFFFAOYSA-N	374.396	4.891	5	40	FJBB	
Cc1ccc(C)c(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1	3388654	OQQQDBXLHNGRBF-UHFFFAOYSA-N	358.444	4.796	5	40	FJBB	
CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1ccc2ccccc2c1	10898811	SSFSPSIWXYPRHH-UHFFFAOYSA-N	368.820	4.603	5	40	FJBB	
O=C(Nc1ccc(F)cc1)c1sccc1Oc1ccc([N+](=O)[O-])cc1	3125651	WHZJUWYJGQKOGT-UHFFFAOYSA-N	358.350	4.840	5	40	FJBB	
O=[N+]([O-])c1ccc([C@H]2N=C(O)c3c(-c4ccccc4)csc3N2)cc1	6252575	XGBFDBWIPVKFDQ-INIZCTEOSA-N	351.387	4.752	5	40	FJBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)Cc1ccco1	16749694	NZYWWSOELRZHKR-UHFFFAOYSA-N	370.792	4.684	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)c1nc2ccccc2s1	43148958	KBYBUDHSJHVKQR-LBPRGKRZSA-N	370.434	4.738	5	40	FJBB	
O=C(Nc1ccccc1F)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	408924583	KIUVOGHGVMXRQN-NBVRZTHBSA-N	362.360	4.913	5	40	FJBB	
C[C@H]1Cc2ccccc2N1C(=S)Nc1cc2cccnc2c2cccnc12	408974223	DLNYCRFNAFXDRE-AWEZNQCLSA-N	370.481	4.931	5	40	FJBB	
C[C@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	6549361	KPNVVDRANFTIAT-OBIHZWKSSA-N	354.387	4.522	5	40	FJBB	
O=C(NCc1ccc(F)cc1)c1sc2cc([N+](=O)[O-])ccc2c1Cl	999580	UXLBSULMVFSPJN-UHFFFAOYSA-N	364.785	4.532	5	40	FJBB	
O=C(O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2	3885016	OBICDYRXQOLKBN-SDNWHVSQSA-N	360.369	4.718	5	40	FJBB	
COc1cc([N+](=O)[O-])cc2sc(Nc3nc4ccc(C)c(C)c4o3)nc12	57352700	NKESMXDQOYVVRO-UHFFFAOYSA-N	370.390	4.715	5	40	FJBB	
COc1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1	408975406	JNPRFMTVYNSIKG-UHFFFAOYSA-N	368.396	4.525	5	40	FJBB	
Cc1ccc(Sc2nn3c(=O)c4ccccc4nc3c3ccccc23)cc1	1801737	FXOVFKALJRYWFU-UHFFFAOYSA-N	369.449	4.856	5	40	FJBB	
CC1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])CC1	4896053	ZIWZXJRXSBXAOS-UHFFFAOYSA-N	373.840	4.737	5	40	FJBB	
CCc1ccc(-c2csc(NC(=O)c3cccc(C)c3[N+](=O)[O-])n2)cc1	6220584	VJFLRNWHQWGOAJ-UHFFFAOYSA-N	367.430	4.841	5	40	FJBB	
Cc1ccc(OCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C	59475460	SGCIZRKXSWXTOF-UHFFFAOYSA-N	354.328	4.721	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2ccc(F)cc2)o1	6528070	LWPAGENUUJQCQM-UHFFFAOYSA-N	360.728	4.900	5	40	FJBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccco1)Cc1ccccc1Cl	16750683	HFFUTUMSWSSMCY-UHFFFAOYSA-N	370.792	4.684	5	40	FJBB	
O=[N+]([O-])c1cc(NC(=S)Nc2cc(Cl)cc(Cl)c2)ccc1F	17074178	XFMWSBXWRQWHGJ-UHFFFAOYSA-N	360.197	4.850	5	40	FJBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(C2CCCCC2)cc1	408620625	HYHRMCOVQHQZJZ-UHFFFAOYSA-N	368.433	4.968	5	40	FJBB	
O=[N+]([O-])c1ccc(SC2=NCCCN2C2CCCCC2)c(Cl)c1	1578201	GCCJFPLTLVFQJD-UHFFFAOYSA-N	353.875	4.735	5	40	FJBB	
Cc1ccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1C	2113984	FMLHUVDFWPMPQA-UHFFFAOYSA-N	357.409	4.920	5	40	FJBB	biogenic
COc1ccc(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1	819843	VHPHXHYBWXLKDV-UHFFFAOYSA-N	362.385	4.831	5	40	FJBB	
CCCCCCOC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1	3194388	USTWVRKFALHXHU-UHFFFAOYSA-N	370.405	4.584	5	40	FJBB	
O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1c[nH]c2ccccc12	6027897	RIVBKCHMBLCWPC-UHFFFAOYSA-N	369.427	4.661	5	40	FJBB	
CSc1nnc2c3sc4nc(C(C)C)c5c(c4c3ncn12)CCCC5	1241515	MZAICAUFWWSZSF-UHFFFAOYSA-N	369.519	4.611	5	40	FJBB	
CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	20046535	FVPITJKOHNJKPN-KRWDZBQOSA-N	362.813	4.661	5	40	FJBB	
Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1	97165904	ZDVUWYSZGQXTJR-UHFFFAOYSA-N	364.351	4.520	5	40	FJBB	
O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1	3342897	IQHPYDYDKIDOMR-UHFFFAOYSA-N	359.596	4.736	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N(Cc1cccs1)Cc1cccs1	17742472	BOQFROBXFQMCHQ-UHFFFAOYSA-N	373.459	4.952	5	40	FJBB	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1	408993954	DWBXRYCYAMPRJI-GPQGAXSRSA-N	365.389	4.800	5	40	FJBB	
Cc1cc(NC(=O)CCCc2ccccc2)nc2c1c(=O)oc1ccccc12	4108218	LYPUSOKWYYUVLV-UHFFFAOYSA-N	372.424	4.611	5	40	FJBB	
COC(=O)[C@@H](Oc1ccc2c(oc(=O)c3ccccc32)c1C)c1ccccc1	4747417	JIRWLAUOWUWOOC-NRFANRHFSA-N	374.392	4.548	5	40	FJBB	
CC(=O)/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1	5377949	IOJYEHVVBVKRME-FCQUAONHSA-N	353.381	4.577	5	40	FJBB	
O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1NC1CCCC1	8587021	IQSJMPUKABPLLL-UHFFFAOYSA-N	350.378	4.666	5	40	FJBB	
Cc1c(NC(=O)COc2ccc(C3CCCCC3)cc2)cccc1[N+](=O)[O-]	21124910	VONHJAPEHHDGNX-UHFFFAOYSA-N	368.433	4.968	5	40	FJBB	
COc1cc(C(C)=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	7983930	OHOAKBPHMAEILQ-UHFFFAOYSA-N	355.268	4.617	5	40	FJBB	
CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc([N+](=O)[O-])cc1	17306850	OSWOZLDEMRESGW-UHFFFAOYSA-N	371.780	4.717	5	40	FJBB	
Cc1c(C(=O)Nc2ccccc2N(C)c2ccccc2)cccc1[N+](=O)[O-]	36393118	BCPDLWHIBRJYGR-UHFFFAOYSA-N	361.401	4.923	5	40	FJBB	
C[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2S1	12997346	SBUDUMXNFNJPLS-LLVKDONJSA-N	362.838	4.779	5	40	FJBB	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12	23119975	SFTYMZGVJMMQPL-CYBMUJFWSA-N	352.415	4.867	5	40	FJBB	
CCOc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1	72229467	BFVWYGUEMJIKNR-UHFFFAOYSA-N	355.177	4.553	5	40	FJBB	
O=[N+]([O-])c1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1	2251160	PHBFHFIMUBUMEI-UHFFFAOYSA-N	359.341	4.703	5	40	FJBB	
S=C(NCCC1=CCCCC1)Nc1cc2ccncc2c2ncccc12	408977549	WPMUUBMGWOEESV-UHFFFAOYSA-N	362.502	4.960	5	40	FJBB	
O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1Cl	4829280	SKQRQGSITHADOA-UHFFFAOYSA-N	359.691	4.911	5	40	FJBB	
O=C(OCc1csc(-c2ccccc2)n1)c1ccc(Cl)c([N+](=O)[O-])c1	5656118	SNOWPZJZLXMTGF-UHFFFAOYSA-N	374.805	4.729	5	40	FJBB	
Cc1ccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=NCCCCC2)cc1	27027704	PYNCIDHSLXNUPU-UHFFFAOYSA-N	365.433	4.565	5	40	FJBB	
Cc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)ccc12	2625230	LUOITYSQWWEPQF-UHFFFAOYSA-N	365.263	4.821	5	40	FJBB	
O=C(Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1)c1ccc(F)cc1	6660667	UPDGEALAQTTYGX-UHFFFAOYSA-N	367.763	4.991	5	40	FJBB	
C[C@@H]1CCCN(c2ccc(-c3nc(-c4ccccc4)no3)cc2[N+](=O)[O-])C1	15833742	ZFLREBBCBGTQAH-CQSZACIVSA-N	364.405	4.548	5	40	FJBB	
O=C(OC[C@H]1[C@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1	104116976	GMKJTBKWFFGKGT-QGZVKYPTSA-N	351.402	4.582	5	40	FJBB	
Cc1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1[N+](=O)[O-]	6586629	ZAJFSQVAPNXYAV-UHFFFAOYSA-N	373.821	4.932	5	40	FJBB	
O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1	7651677	FNCHJWVWYFKCAV-UHFFFAOYSA-N	357.218	4.632	5	40	FJBB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	409334012	GPYHEYPIPXDYRX-QKQOXNHBSA-N	365.389	4.800	5	40	FJBB	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	2737347	RPHAGXHEOAVJAJ-JTQLQIEISA-N	369.204	4.616	5	40	FJBB	
CCOc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)ccc1OC	6614896	SYXDXOAZVHRYMV-JXMROGBWSA-N	350.374	4.721	5	40	FJBB	
C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1	84697676	RZQBNUNKYAPQRS-GFCCVEGCSA-N	362.813	4.770	5	40	FJBB	
CCCCCCOc1ccc(OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	5792370	SYDQJDMLBNGPTN-UHFFFAOYSA-N	373.405	4.782	5	40	FJBB	
Cc1c(O)ccc2c1oc1c(-c3cccnc3)c3cnn(C(C)C)c3nc12	96114632	RLXFUPIYEHCUMQ-UHFFFAOYSA-N	358.401	4.988	5	40	FJBB	biogenic
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1	225765366	JIEKIXDMNMVAHI-OAHLLOKOSA-N	356.422	4.741	5	40	FJBB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	247316511	KIYLZWYXEGUEGB-ROILNYFKSA-N	364.401	4.590	5	40	FJBB	
CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1C	20489789	YGIQINYDJKGFGW-LJQANCHMSA-N	364.401	4.853	5	40	FJBB	
O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccs1	33653134	QBFOCLXFSMYCEH-UHFFFAOYSA-N	355.371	4.806	5	40	FJBB	
CC[N+]1(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CCCCCC1	36631467	NPGBPWCPUXGKPH-QFIPXVFZSA-N	354.514	4.504	5	40	FJBB	
CC(=O)c1cccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)oc2C)c1	5033331	UJVAEAGESLGRLR-UHFFFAOYSA-N	364.357	4.618	5	40	FJBB	
COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	408616818	AAKLOLMLUPOCIN-UHFFFAOYSA-N	372.764	4.769	5	40	FJBB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	408996790	NCVGXSIZVDRGMS-QKQOXNHBSA-N	364.401	4.590	5	40	FJBB	
N=c1oc2c([N+](=O)[O-])cc(Cl)cc2cc1-c1nc2ccccc2s1	4980065	GJPCEBCBEXOPAB-UHFFFAOYSA-N	357.778	4.751	5	40	FJBB	
O=c1oc2ccccc2c2c1Cc1c(oc3ccc4ccccc4c3c1=O)O2	1572553	XOWMMJHWRVUNCJ-UHFFFAOYSA-N	368.344	4.749	5	40	FJBB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	247316493	KIYLZWYXEGUEGB-GPQGAXSRSA-N	364.401	4.590	5	40	FJBB	
CCCCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O	5552426	QMTQKZNTQJUJIF-LFIBNONCSA-N	372.402	4.691	5	40	FJBB	
Cc1oc2cc(Oc3ccc([N+](=O)[O-])cn3)ccc2c(=O)c1-c1ccccc1	23616853	HOPXXUXKNGMZSC-UHFFFAOYSA-N	374.352	4.864	5	40	FJBB	
CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C	222921724	NCZJSNIUDBTLRZ-IBGZPJMESA-N	370.449	4.997	5	40	FJBB	
Cc1ccc(OCc2cc3ccc(C)c(C)c3nc2Cl)c([N+](=O)[O-])n1	8163288	XKEZUGHRGJRPGG-UHFFFAOYSA-N	357.797	4.696	5	40	FJBB	
O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2[N+](=O)[O-])N1C1CCCCC1	39931572	OFIHBIHVNYDAGB-JLMWTWJWSA-N	350.418	4.536	5	40	FJBB	in-vitro
Cc1cc(C)c(OC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c([N+](=O)[O-])c1	103681916	ZMVZPDHSJJBCGD-CXTCDGGRSA-N	363.841	4.695	5	40	FJBB	
Cc1noc(/C=C\c2ccccc2OCCOc2ccccc2)c1[N+](=O)[O-]	408544521	UNAORNLSTQDPEH-QXMHVHEDSA-N	366.373	4.519	5	40	FJBB	
Cc1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1[N+](=O)[O-]	409179903	PMZJJRGUCDJWDK-UHFFFAOYSA-N	352.415	4.787	5	40	FJBB	
Cc1[nH]c2ccccc2c1[C@H](C[N+](=O)[O-])c1ccc(Br)cc1	907785	HNDLKTLJICGRFP-OAHLLOKOSA-N	359.223	4.647	5	40	FJBB	
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1	6526755	GYJXQXLFHOFXIT-UHFFFAOYSA-N	367.332	4.883	5	40	FJBB	
CCOc1cc(CC[N+](C)(C)C)cc2c1ccc1ccc(OC)c(OC)c12	1676207	ZIZSXFSCQMKIHR-UHFFFAOYSA-N	368.497	4.658	5	40	FJBB	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-]	32754289	FYAXVFLSLVROOL-GCZGRYASSA-N	350.374	4.574	5	40	FJBB	
COc1ccc(C)cc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O	408806788	BTBLQORJQNVVER-UHFFFAOYSA-N	359.381	4.516	5	40	FJBB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc3c(c1)OCO3)N2	409000576	UAIMPPORRAQWPB-DNLDMXRNSA-N	364.401	4.620	5	40	FJBB	
COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1	4257502	GPDOBHQWMHONBO-JOCHJYFZSA-N	373.412	4.959	5	40	FJBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1c(Cl)cccc1Cl	3249986	RJKAWQSPGGHGIE-RMKNXTFCSA-N	352.173	4.658	5	40	FJBB	
Cc1ccc(-c2onc(C)c2C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	35672325	LPXALGHQQAXUTK-UHFFFAOYSA-N	371.780	4.772	5	40	FJBB	
CC(C)N1c2ccccc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2	2326542	RSZXVSYKICUXJF-NRFANRHFSA-N	350.418	4.903	5	40	FJBB	
CCc1ccc(O[C@H](CC)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	222890060	ABSRMRCTERDSDF-QGZVFWFLSA-N	362.813	4.607	5	40	FJBB	
O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)cc1	58356386	XYSFSLDTUYAFHE-UHFFFAOYSA-N	354.387	4.547	5	40	FJBB	
COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Cl)cc1	4807096	CHSJEFIEQFTFKV-UHFFFAOYSA-N	363.804	4.697	5	40	FJBB	
Cc1ccc(-c2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)o2)cc1C	107737693	JQOOTPUHXGIHPQ-UHFFFAOYSA-N	354.337	4.863	5	40	FJBB	
CCOc1ccc(Oc2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)cc1	7063977	RAXXRLDHQRYOLU-UHFFFAOYSA-N	368.345	4.631	5	40	FJBB	
O=[N+]([O-])c1cccnc1NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12	21363877	WIVZYSQWCQJALS-KRWDZBQOSA-N	358.401	4.715	5	40	FJBB	
O=C(Nc1nc2c(s1)CCCC2)c1cc2ccccc2c2cccnc12	32928414	KNBQABVLQUKGDZ-UHFFFAOYSA-N	359.454	4.976	5	40	FJBB	
O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1	6062358	QVTWUXHKKJKNSY-UHFFFAOYSA-N	360.580	4.912	5	40	FJBB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1	7093768	BQKROKNQKZFNDX-UHFFFAOYSA-N	371.245	4.774	5	40	FJBB	
Cc1cccc2[nH]c(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc12	821795	QSLIBZWDLWYUEQ-UHFFFAOYSA-N	372.384	4.699	5	40	FJBB	
Cc1c(NC(=O)c2ccc(Sc3ccccn3)cc2)cccc1[N+](=O)[O-]	58439292	SWSAILCWMPTDCL-UHFFFAOYSA-N	365.414	4.702	5	40	FJBB	
O=C(CSCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1	408723808	PYRVSGPZJOQEGL-UHFFFAOYSA-N	371.245	4.774	5	40	FJBB	
Cc1ccc(NC(=O)CSc2ccc3ccccc3c2)c([N+](=O)[O-])c1	8727427	XZRKQQZEVNDDGY-UHFFFAOYSA-N	352.415	4.787	5	40	FJBB	
CCc1cccc(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c1	13070902	ZCWCIYWIAZBLSH-UHFFFAOYSA-N	367.449	4.790	5	40	FJBB	
C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	223789898	QFUAJXAWHKSQSD-LBPRGKRZSA-N	374.824	4.533	5	40	FJBB	
CCOc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	7923994	FVNLGCZAOVCOHZ-GOSISDBHSA-N	374.824	4.624	5	40	FJBB	
Cc1nc(SCc2ccc([N+](=O)[O-])cc2)c2oc3ccccc3c2n1	5176964	INJYMWIPEKXCKB-UHFFFAOYSA-N	351.387	4.885	5	40	FJBB	
CN(Cc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)c1ccc(F)cc1	71793383	CUAZCOHSVQECLA-OAQYLSRUSA-N	350.393	4.955	5	40	FJBB	
Cc1ccc(C2=Nc3ccc(C)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1	4954629	OHQXMJPDPKUDGS-UHFFFAOYSA-N	370.412	4.646	5	40	FJBB	
O=[N+]([O-])c1cc(-c2nc(-c3cccc(OC(F)F)c3)no2)ccc1Cl	89262443	FWDUBVSRQULDEI-UHFFFAOYSA-N	367.695	4.567	5	40	FJBB	
O=C(Oc1cccc(Cl)c1Cl)c1ccc(NC2CC2)c([N+](=O)[O-])c1	8192348	OJHCEADTVBVRLT-UHFFFAOYSA-N	367.188	4.695	5	40	FJBB	
O=C(NCC1CCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	223426713	RDKVMCPPTQXGDQ-RCCKNPSSSA-N	364.445	4.832	5	40	FJBB	
O=c1c(-c2ccccc2)coc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12	1447910	SJMVMVDTJPFWRU-UHFFFAOYSA-N	373.364	4.947	5	40	FJBB	biogenic
C[C@@H]([C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1)N(C)C	1676785	UNLWTAFIHVOCIF-HXPMCKFVSA-N	358.279	4.739	5	40	FJBB	
CC(=O)c1ccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)oc2C)cc1	5033379	ZBJPYMDZUUNZNK-UHFFFAOYSA-N	364.357	4.618	5	40	FJBB	
COc1cc2c(cc1OCc1ccccc1)[C@@H](CC(C)C)[N+](C)(C)CC2	4273398	QGKWILCMJYQDDS-OAQYLSRUSA-N	354.514	4.994	5	40	FJBB	
CCCCN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O	6635489	AUBJRGYWSBVJAP-WJDWOHSUSA-N	372.402	4.691	5	40	FJBB	
O=[N+]([O-])c1ccc2c(c1)nc(/C=C/c1cccc(O)c1)n2-c1ccccc1	6648851	SKTSKWCDCDRAEY-FMIVXFBMSA-N	357.369	4.810	5	40	FJBB	
CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1	59482648	KMKXHPILXGTSSF-UHFFFAOYSA-N	367.430	4.923	5	40	FJBB	
CC[C@@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1	95460560	ALTQDAFYGQUHGV-MRXNPFEDSA-N	364.405	4.751	5	40	FJBB	
CCc1cccc(C)c1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	4813870	UVIDJKBENIBQGS-UHFFFAOYSA-N	350.374	4.978	5	40	FJBB	
COc1ccc([C@H](CC(C)C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	30855022	RBYCGTWVDKOREU-JCRIEJSWSA-N	368.433	4.520	5	40	FJBB	
CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cc2ccccc2cc1OC	72228639	QDDJHGMIFHYBPN-UHFFFAOYSA-N	364.401	4.880	5	40	FJBB	
CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	222991353	UTURLXVDEHAPFR-KRWDZBQOSA-N	362.813	4.661	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OCc1ccccc1	13687272	OBULDHDXYPNNQB-UHFFFAOYSA-N	362.385	4.735	5	40	FJBB	
Cc1noc(/C=C/c2ccc(OCc3ccc(F)cc3)cc2)c1[N+](=O)[O-]	9295472	PKPSXTAAACQRAY-IZZDOVSWSA-N	354.337	4.780	5	40	FJBB	
CC(C)c1ccc(CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	217874992	RQHPKXRKDPZFDA-UHFFFAOYSA-N	360.841	4.734	5	40	FJBB	
O=[N+]([O-])c1ccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)nc1	4823458	AAFLWKZTCWDNEW-UHFFFAOYSA-N	371.289	4.668	5	40	FJBB	
Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-]	5747235	AAAPGEGJZAKOLQ-UHFFFAOYSA-N	358.703	4.828	5	40	FJBB	
CC(C)(C)NC(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1	6761733	GJIQEZMTOBBZTD-UHFFFAOYSA-N	350.447	4.918	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2	4428148	LUBRUUCAKILCLG-UHFFFAOYSA-N	368.355	4.769	5	40	FJBB	
Cc1ccc(-n2c(C)nc3c(sc4nc5ccccc5cc43)c2=O)cc1	643060	LIKDMNZAZKDFBS-UHFFFAOYSA-N	357.438	4.765	5	40	FJBB	
O=C(Nc1nc2ccc(F)cc2s1)c1cc2cc([N+](=O)[O-])ccc2s1	4194499	OKVYWIFWZATZKO-UHFFFAOYSA-N	373.390	4.811	5	40	FJBB	
CCCCCCn1cc(OC(C)=O)c2c1nc(C)n1c3ccccc3nc21	5477633	XRDVVYJGPNXRHV-UHFFFAOYSA-N	364.449	4.651	5	40	FJBB	
Cc1ccc(Oc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1	6460598	TUHNCCQYTMOZDR-UHFFFAOYSA-N	362.385	4.877	5	40	FJBB	
C[C@@H](SCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	3532194	TUJJDNZAPUDXHD-LLVKDONJSA-N	350.827	4.509	5	40	FJBB	
Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1	72228881	KCSWGYYPBSJMKJ-UHFFFAOYSA-N	362.813	4.661	5	40	FJBB	
CCCOc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Br	408609849	PCRZZQIRSUTMGF-UHFFFAOYSA-N	365.227	4.758	5	40	FJBB	
C[C@H]1Cc2ccccc2N1C(=O)Nc1cc2ncccc2c2cccnc12	408976152	PSDYWVBJCLNZSG-AWEZNQCLSA-N	354.413	4.766	5	40	FJBB	
O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1[N+](=O)[O-]	1097891	OZHCSTRHRJNZPI-OAQYLSRUSA-N	371.396	4.586	5	40	FJBB	
CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1	408836565	SNNCBVMUXTXFKJ-UHFFFAOYSA-N	367.430	4.923	5	40	FJBB	
Cc1c(NC(=O)c2ccccc2[N+](=O)[O-])cccc1-c1nc2ccccc2o1	839010	HYOALNHYNULBHK-UHFFFAOYSA-N	373.368	4.964	5	40	FJBB	
C[C@@H]1CCCCN1c1ccc(-c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-]	15833736	RRWYELBNICMOBS-CQSZACIVSA-N	364.405	4.691	5	40	FJBB	
COc1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12	408994838	JUTSLLPDDJSDEE-PPRBQIKUSA-N	350.418	4.900	5	40	FJBB	
CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	5652869	GJQHQYSMOLQIPI-LLVKDONJSA-N	368.842	4.563	5	40	FJBB	
CCOc1ccc(NC(=O)Nc2cc3cccnc3c3ncccc23)cc1	6963332	HZUVTTAANVEZIX-UHFFFAOYSA-N	358.401	4.826	5	40	FJBB	
O=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCCCCC1	408997133	RMYJDZFTVMRHRM-UHFFFAOYSA-N	359.433	4.672	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)c1nc2ccccc2s1	43148960	KBYBUDHSJHVKQR-GFCCVEGCSA-N	370.434	4.738	5	40	FJBB	
O=C(Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1)c1cccc(F)c1	6660436	IIZVHJMODUNMKX-UHFFFAOYSA-N	367.763	4.991	5	40	FJBB	
CN1c2ccccc2C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21	5334759	ZEFTXDHGNFMVNB-IBGZPJMESA-N	373.412	4.641	5	40	FJBB	
C[C@@H](OC(=O)CCC1CCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	6485520	JZXUAMNEDPOARC-CYBMUJFWSA-N	373.409	4.610	5	40	FJBB	
CC(C)(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	8907624	BJLKVJSEILNFSK-UHFFFAOYSA-N	362.813	4.563	5	40	FJBB	
CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc2c(c1)CCCC2	170231427	JZWGKAYJRZFROR-IBGZPJMESA-N	352.434	4.663	5	40	FJBB	
C[C@@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)c1cccc([N+](=O)[O-])c1	12928802	XARVDKDDAUUFAT-OFFHKIPUSA-N	370.409	4.876	5	40	FJBB	
O=[N+]([O-])c1cccnc1NC[C@H](c1ccccc1)c1c[nH]c2ccccc12	21363882	WIVZYSQWCQJALS-QGZVFWFLSA-N	358.401	4.715	5	40	FJBB	
CC(C)(C)NC(=S)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408588750	YGWPMAWFKWDKOV-UHFFFAOYSA-N	361.492	4.831	5	40	FJBB	
CN(C(=O)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)c1ccccc1	38199722	XVPXLEIWQFKWAG-UHFFFAOYSA-N	367.412	4.933	5	40	FJBB	
O=[N+]([O-])c1cc(F)c(N2CCC[C@@H]2c2nc3ccccc3s2)c(F)c1	97229454	QUELEQDOSBKNLZ-CQSZACIVSA-N	361.373	4.824	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	14665179	FHQMIRVQRCDAHM-CQSZACIVSA-N	356.422	4.607	5	40	FJBB	
O=C(OCc1ccccc1)c1cccc([N+](=O)[O-])c1OCc1ccccc1	35243486	PASQATSQCXYGQJ-UHFFFAOYSA-N	363.369	4.531	5	40	FJBB	in-vitro
CCOc1cc(C(=O)O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	7604187	GDDLMBFNVVTHSN-UHFFFAOYSA-N	371.267	4.503	5	40	FJBB	
CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc([N+](=O)[O-])c1	216228159	QEQQJSLKHRGAFZ-LJQANCHMSA-N	350.374	4.544	5	40	FJBB	
CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2ccc([N+](=O)[O-])cc2)C1	20674327	SNOAUVDHLXHAEL-UHFFFAOYSA-N	361.401	4.603	5	40	FJBB	
CC[N@+]1(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C[C@@H](C)C[C@@H](C)C1	245229240	RQMGHMQKNALBEM-RDMBEQIISA-N	368.541	4.606	5	40	FJBB	
CC(C)(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	14241390	ISTWMGGKSMBWGQ-UHFFFAOYSA-N	373.430	4.518	5	40	FJBB	
CC(C)n1ncc2c(-c3cccc(O)c3)c3oc4cc(O)ccc4c3nc21	96114462	RNGSEMGQAZEFAY-UHFFFAOYSA-N	359.385	4.990	5	40	FJBB	biogenic
O=[N+]([O-])c1ccc(COc2cccc(/C=C3/SC(=S)N=C3O)c2)cc1	1107847	ZUWLHIQRPDLWRV-OQLLNIDSSA-N	372.427	4.503	5	40	FJBB	
Cc1cc(NC(=O)CCC2CCCC2)nc2c1c(=O)oc1ccccc12	4108213	FSJPOEQAIIQYMT-UHFFFAOYSA-N	350.418	4.559	5	40	FJBB	
Cn1c(-c2cccc(Cl)c2)cn2cc(-c3cccc([N+](=O)[O-])c3)nc12	4678331	ILXQIIUCIMPKIZ-UHFFFAOYSA-N	352.781	4.568	5	40	FJBB	
Cc1ccc(-c2noc(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)n2)cc1	8587162	OLRRPNNIOCWAKC-UHFFFAOYSA-N	364.405	4.611	5	40	FJBB	
COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1	39360898	SMVFIBMBEQUAEE-LUAWRHEFSA-N	366.373	4.649	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC2c3ccccc3C1c1ccccc12	4697594	ZMXNGULFZNTBDA-ORFBVSJDSA-N	370.408	4.831	5	40	FJBB	
CSc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1	5694391	PXVYXLGMYYHWCT-UHFFFAOYSA-N	371.462	4.559	5	40	FJBB	
O=C(Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1)c1ccccc1F	6660980	IADMXWFNOYJJBN-UHFFFAOYSA-N	367.763	4.991	5	40	FJBB	
Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-]	8330961	GPIPKYXPPGNMGI-SOFGYWHQSA-N	351.189	4.862	5	40	FJBB	
Cc1c(Oc2ccc([N+](=O)[O-])cn2)ccc2c(-c3ccccc3)cc(=O)oc12	23077999	CMAOJJOSNQZQDY-UHFFFAOYSA-N	374.352	4.864	5	40	FJBB	
C[C@@]12CC3CC(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)(C1)C[C@@](C)(C3)C2	100280641	PFFLPYSAXZCSIV-GYLWBPJWSA-N	362.857	4.727	5	40	FJBB	
Cc1ccc2nc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)oc2c1	13946177	IOANPOPVUXOEOP-UHFFFAOYSA-N	373.368	4.964	5	40	FJBB	
O=C(Nc1ccc(OC2CCCC2)cc1)c1cc(Cl)ccc1[N+](=O)[O-]	40060407	NCPKGSVUCHQBIZ-UHFFFAOYSA-N	360.797	4.822	5	40	FJBB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	409334004	GPYHEYPIPXDYRX-CQTZQYROSA-N	365.389	4.800	5	40	FJBB	
Cc1ccc(S(=O)(=O)Cc2cc(-c3ccccc3)ccc2[N+](=O)[O-])cc1	3199870	JWRCTCCXQWLRSU-UHFFFAOYSA-N	367.426	4.544	5	40	FJBB	
COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	8780110	DRUHBGMLIZEBNW-UHFFFAOYSA-N	364.401	4.795	5	40	FJBB	
O=[N+]([O-])c1ccc(-n2c(O)c3cc(Cl)cc(Cl)c3nc2=S)cc1	139187349	ACAJIEOCIOCNMQ-UHFFFAOYSA-N	368.201	4.676	5	40	FJBB	
O=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	3110412	VKWQGSXFICYMLW-UHFFFAOYSA-N	371.736	4.562	5	40	FJBB	
O=C(Nc1ccccc1-c1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1	4135288	ZQAYTDKVUYPCPX-UHFFFAOYSA-N	359.341	4.655	5	40	FJBB	
CCCCn1c(CCC)nc([N+](=O)[O-])c1Sc1ccc(Cl)cn1	17440257	SIZYHHHDVIUWLX-UHFFFAOYSA-N	354.863	4.744	5	40	FJBB	
C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccccc2[N+](=O)[O-])N3)C1	4571558	YHFZPSCXTCGHEF-RPJXKNNSSA-N	369.446	4.551	5	40	FJBB	
CCC(=O)Oc1cn([C@H](C)CC)c2nc(CC)n3c4ccccc4nc3c12	13238247	XQQDTWJCALVUCV-CYBMUJFWSA-N	364.449	4.686	5	40	FJBB	
CC[N+]1(C[C@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CCCC1	17316931	RSHSCTWYKMMNHT-FQEVSTJZSA-N	362.578	4.771	5	40	FJBB	
COC(=O)Nc1cccc(NC(=O)c2cc3ccccc3c3cccnc23)c1	55518423	YZQUWWREPCOLKQ-UHFFFAOYSA-N	371.396	4.819	5	40	FJBB	
COc1ccc(C(C)(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	3552084	IPEHSKOSYGZYNI-UHFFFAOYSA-N	362.813	4.807	5	40	FJBB	
COc1ccc(NC(=O)c2ccccc2Oc2ccccc2)c([N+](=O)[O-])c1	4071171	DATPUQXEJABFNG-UHFFFAOYSA-N	364.357	4.648	5	40	FJBB	
Cc1cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)ccc1[N+](=O)[O-]	7327791	MNNZLJUKGCSTEV-UHFFFAOYSA-N	372.384	4.699	5	40	FJBB	
Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1[N+](=O)[O-]	14785136	VFBFCVHOPAETTC-UHFFFAOYSA-N	369.602	4.571	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N1Cc2ccccc2[C@H](c2ccccc2)C1	25251181	NOILUMZBUNPDGY-NRFANRHFSA-N	373.412	4.774	5	40	FJBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ncc(-c2ccccc2)o1	32911801	FZOVXMQEDDHYGW-UHFFFAOYSA-N	363.295	4.881	5	40	FJBB	
Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc([N+](=O)[O-])c1)c1ccncc1	1281076	SILRBJMNOQRPLB-NRFANRHFSA-N	358.401	4.981	5	40	FJBB	
O=c1c2ccccc2oc2nc(-c3cccs3)n3c4ccccc4nc3c12	5205185	QXBRSLFDOBBABM-UHFFFAOYSA-N	369.405	4.871	5	40	FJBB	
Cc1ccc(C23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1[N+](=O)[O-]	18128043	MEJHJEXJWUTGCI-ZPVISIIKSA-N	350.256	4.889	5	40	FJBB	
Cc1ccc(CN2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1	20403891	OYRQGJGDHVTMLQ-UHFFFAOYSA-N	357.409	4.607	5	40	FJBB	
Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-]	5747230	SHSYIUMTZSEKCN-UHFFFAOYSA-N	358.703	4.828	5	40	FJBB	
O=C(Nc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1)C1CC1	8042042	SPRGURJLVMMTNN-UHFFFAOYSA-N	365.414	4.734	5	40	FJBB	
O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1ccc(Cl)cc1	6660713	KDZANEQYPWTDNB-UHFFFAOYSA-N	367.763	4.991	5	40	FJBB	
O=C(Nc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1)C1CC1	12760605	QZSBRNIRJNYWNA-UHFFFAOYSA-N	365.414	4.734	5	40	FJBB	
COc1ccc([C@@H](CC(C)C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	30855017	RBYCGTWVDKOREU-QARGNGGGSA-N	368.433	4.520	5	40	FJBB	
CCOC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])c3cnccc23)c1	69349054	IPBPICGXNAGBLJ-UHFFFAOYSA-N	353.334	4.504	5	40	FJBB	
CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	222962413	BMVLLIAKJDMDDH-MRXNPFEDSA-N	362.813	4.661	5	40	FJBB	
Cc1cc(C)cc(COn2c(-c3ccccc3)nc3ccc([N+](=O)[O-])cc32)c1	3063692	HDRYZPCIASVQEK-UHFFFAOYSA-N	373.412	4.857	5	40	FJBB	
O=C(O)/C(=C\c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	1725989	KIBRLGQDGADSDK-QPEQYQDCSA-N	371.698	4.892	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nc2ccccc2s1	33040299	DKIQENBGYJONIZ-HNNXBMFYSA-N	368.418	4.574	5	40	FJBB	
CC(=O)c1ccc(NC(=O)Nc2cc3cccnc3c3cccnc23)cc1	408975298	LXKPNRBZCDKWPU-UHFFFAOYSA-N	356.385	4.630	5	40	FJBB	
CCOc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1[N+](=O)[O-]	4838609	RIQYWAIBSAYCAH-UHFFFAOYSA-N	374.396	4.817	5	40	FJBB	
O=C(Nc1ccc(Cl)cc1Cl)c1coc2ccc([N+](=O)[O-])cc12	408967147	QBXSMQZZHOZVND-UHFFFAOYSA-N	351.145	4.900	5	40	FJBB	
COc1ccc(OC(=O)/C=C/c2ccccc2[N+](=O)[O-])c(C(C)(C)C)c1	3346080	XFMVFUMDQOCKDM-FMIVXFBMSA-N	355.390	4.520	5	40	FJBB	
CC[N+](CC)(CC)CCN[C@@H](c1ccccc1)C(Cl)(Cl)Cl	4878384	OFJMIMYUYBJTIS-HNNXBMFYSA-N	352.757	4.564	5	40	FJBB	
O=c1c2cc([N+](=O)[O-])cc3cccc(c32)c2nc3cccc4cccc(c43)n12	820726	CAESKYYONDAURO-UHFFFAOYSA-N	365.348	4.653	5	40	FJBB	
Cc1nc2oc3ccccc3c(=O)c2cc1C(=O)Nc1ccc(Cl)cc1	1387350	VOOXBUYITQSTMW-UHFFFAOYSA-N	364.788	4.555	5	40	FJBB	
O=c1c2cccc3c(N4CCCCC4)ccc(c32)c2nc3ccccc3n12	2294652	UEVMJXPDIPPFPE-UHFFFAOYSA-N	353.425	4.582	5	40	FJBB	
Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n1	6085225	PEEBOIFNSDLLPW-UHFFFAOYSA-N	371.443	4.763	5	40	FJBB	
CCCCOC(=O)c1cc(Cl)c(NC2CCCCC2)c([N+](=O)[O-])c1	70462659	UDYPPRQZHYOUHI-UHFFFAOYSA-N	354.834	4.950	5	40	FJBB	
O=c1c2ccc([N+](=O)[O-])cc2sn1-c1cc(C(F)(F)F)ccc1Cl	1442063	RASDYYMGRVXASJ-UHFFFAOYSA-N	374.727	4.633	5	40	FJBB	
Cc1cc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)c(C)n1C(C)C	32777359	HDIOCZPOYMZYIU-UHFFFAOYSA-N	373.434	4.710	5	40	FJBB	
O=C(O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1	408992891	UCDVXHRBYLVPRJ-BLMTYFJBSA-N	364.401	4.590	5	40	FJBB	
CCc1ccccc1NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)oc1C	5033330	PPKHAEUEXSPSET-UHFFFAOYSA-N	350.374	4.978	5	40	FJBB	
CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(C)cc2)s1	408836599	SVGDUAFGXULLJS-UHFFFAOYSA-N	353.403	4.652	5	40	FJBB	
Cc1ccc(-c2noc(-c3ccc(NC4CCCC4)c([N+](=O)[O-])c3)n2)cc1	8586803	BOPXGLBEBJIZJR-UHFFFAOYSA-N	364.405	4.975	5	40	FJBB	
O=C(O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21	408995137	JKIOSEDDFSQJOL-IOBXNNCGSA-N	364.401	4.590	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc2c(Br)cccc12	834924	JOXMFOGOUPHIQB-UHFFFAOYSA-N	371.190	4.763	5	40	FJBB	
O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)c1	2252792	DLAAKIMVQSGWSQ-UHFFFAOYSA-N	367.368	4.544	5	40	FJBB	
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(Cl)c1	2439508	MYMXRGODVPWELZ-UHFFFAOYSA-N	374.853	4.819	5	40	FJBB	
O=[N+]([O-])c1ccc(F)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1	6925824	MQSGUGVMHVPKMR-UHFFFAOYSA-N	360.197	4.850	5	40	FJBB	
CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccccc1	59482651	SJJWUXRNJQUGOY-UHFFFAOYSA-N	367.430	4.923	5	40	FJBB	
Cc1ccccc1[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1	20041106	IZBIKKRTAVSNHH-OAQYLSRUSA-N	360.413	4.731	5	40	FJBB	
Cc1cc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)ccc2[nH]1	43771444	ADJCWPXBXAKIDV-UHFFFAOYSA-N	351.387	4.852	5	40	FJBB	
O=C1C(Nc2ccccc2)=C[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1	100296940	ZVNJNHBRYFLYBW-NRFANRHFSA-N	371.396	4.679	5	40	FJBB	
COc1cc(C)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C(C)C	223271524	YQPJSTPVHRTJQK-HNNXBMFYSA-N	370.449	4.835	5	40	FJBB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	13708753	SSAUCOMURNIRLD-GFCCVEGCSA-N	370.792	4.807	5	40	FJBB	
CC[C@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1	95460559	ALTQDAFYGQUHGV-INIZCTEOSA-N	364.405	4.751	5	40	FJBB	
Cc1ccc(C)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1	6586659	HXHXWRAQQYJQBM-UHFFFAOYSA-N	367.430	4.896	5	40	FJBB	
CC(=O)c1ccc(NC(=S)Nc2cc3ncccc3c3cccnc23)cc1	6707861	XSXAQGJAQCKSTB-UHFFFAOYSA-N	372.453	4.795	5	40	FJBB	
O=c1cc(CSc2ncccc2[N+](=O)[O-])c2c(ccc3ccccc32)o1	89873167	VCMISUYMKVBUTO-UHFFFAOYSA-N	364.382	4.542	5	40	FJBB	
C[C@@H]1CCCCN1c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	408628984	GUJXGWZESAPJPM-WDBUWWRISA-N	365.433	4.626	5	40	FJBB	
Cc1ccc(C)c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc12	9141218	VZZHGXNVMKYQLW-UHFFFAOYSA-N	361.810	4.727	5	40	FJBB	
C[C@H](CN1COc2ccc3c(oc(=O)c4ccccc43)c2C1)c1ccccc1	20610277	POQSACZRRWWITL-MRXNPFEDSA-N	371.436	4.902	5	40	FJBB	biogenic
CC(C)(C)c1ccc(-c2n[nH]c(SCc3ccc([N+](=O)[O-])cc3)n2)cc1	9199369	VLYKSENXJIEJMN-UHFFFAOYSA-N	368.462	4.970	5	40	FJBB	
CCOP(=O)(OCC)C(F)(F)[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1	256174216	FNXGJJRLYQJCQF-GFCCVEGCSA-N	371.704	4.559	5	40	FJBB	
COP(=O)(OC)[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	5511818	FNBWDMBJUOFJHJ-HNNXBMFYSA-N	370.729	4.845	5	40	FJBB	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	223119587	YTQCNBKBMLUOCR-OAHLLOKOSA-N	356.422	4.741	5	40	FJBB	
O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	6883343	RJHAGDZMYKGDJF-UHFFFAOYSA-N	360.728	4.900	5	40	FJBB	
CN(Cc1ncc(-c2ccc(Cl)cc2)o1)Cc1ccccc1[N+](=O)[O-]	26348538	HAGWHOQFFVHKRP-UHFFFAOYSA-N	357.797	4.535	5	40	FJBB	
O=C(CC(c1ccccc1)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F	4673524	HBACYQLCTCWXQS-UHFFFAOYSA-N	364.376	4.895	5	40	FJBB	
COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1	4771159	SMVFIBMBEQUAEE-PKNBQFBNSA-N	366.373	4.649	5	40	FJBB	
CCCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1	6998116	MQZZQJBHJQQUHF-UHFFFAOYSA-N	357.391	4.516	5	40	FJBB	
CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(C)cc2C)s1	408834986	WMDOAQDCQQMTEJ-UHFFFAOYSA-N	367.430	4.961	5	40	FJBB	
O=C(O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21	408995140	JKIOSEDDFSQJOL-XRJOUIEWSA-N	364.401	4.590	5	40	FJBB	
O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21	408992574	ANWJVUOCJYXJBH-LQOLNCQKSA-N	364.401	4.590	5	40	FJBB	
O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(Cl)cc3Cl)no2)cc1	9190813	QNFUUAFPMUBYNV-UHFFFAOYSA-N	350.161	4.542	5	40	FJBB	
Cc1cc(C(=O)Nc2ccc(Br)c(Cl)c2)ccc1[N+](=O)[O-]	9426425	LXCHYHVDVDSNRN-UHFFFAOYSA-N	369.602	4.571	5	40	FJBB	
Cc1noc(C)c1CSc1nc2ccccc2c2nc3ccccc3n12	13137585	KDTMHJKOQHLMSK-UHFFFAOYSA-N	360.442	4.933	5	40	FJBB	
O=[N+]([O-])[C@@H](c1ccccc1)C(c1ccccc1)[C@H](c1ccccc1)[N+](=O)[O-]	1577818	OLODMNOGGBANQB-SFTDATJTSA-N	362.385	4.806	5	40	FJBB	
O=C(Cc1c(Cl)cccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl	6537831	AXWCXFSXJXEHEO-UHFFFAOYSA-N	359.596	4.736	5	40	FJBB	
Cc1cc(-c2n[nH]c(COc3ccc(C(C)(C)C)cc3)n2)ccc1[N+](=O)[O-]	40169713	PTVOBJHDKJQPIW-UHFFFAOYSA-N	366.421	4.565	5	40	FJBB	
Cc1ccccc1-c1noc(-c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)n1	8587078	IRLGQEPGIQFNNR-UHFFFAOYSA-N	364.405	4.975	5	40	FJBB	
O=C(Nc1ccc(Cl)cn1)c1sc2c([N+](=O)[O-])cccc2c1Cl	8992465	WPEYXBSNTPVVRW-UHFFFAOYSA-N	368.201	4.764	5	40	FJBB	
CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	30873166	BUZYPFASNGNTIF-INIZCTEOSA-N	362.813	4.661	5	40	FJBB	
O=c1c2ccccc2c2ccccc2c(=O)n1-c1cccc(Cl)c1Cl	2716179	QGBXHSSTVHLVKX-UHFFFAOYSA-N	368.219	4.811	5	40	FJBB	
COc1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)cc1	4834590	XWHWBTQJSCDVMA-UHFFFAOYSA-N	372.384	4.957	5	40	FJBB	aggregator
CC[N+]1(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C[C@H](C)C[C@@H](C)C1	36631446	RQMGHMQKNALBEM-VIZSFHNOSA-N	368.541	4.606	5	40	FJBB	
COc1cc(C)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C(C)C	223271470	YQPJSTPVHRTJQK-OAHLLOKOSA-N	370.449	4.835	5	40	FJBB	
O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21	408992570	ANWJVUOCJYXJBH-IAEISPRFSA-N	364.401	4.590	5	40	FJBB	
Nc1ccccc1Sc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-]	6816127	UJIAWELQLSYLFZ-UHFFFAOYSA-N	350.399	4.559	5	40	FJBB	
CCCOc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)cc1OCCC	22815703	GBBRBWCHIPYJRF-CQSZACIVSA-N	359.426	4.741	5	40	FJBB	
O=C(c1ccc([N+](=O)[O-])s1)N1CCc2sccc2[C@H]1c1ccccc1	32787797	DZMHOALKBWDBPU-QGZVFWFLSA-N	370.455	4.506	5	40	FJBB	
O=[N+]([O-])c1ccc2[nH]c(/C=C/c3ccccc3OCc3cccnc3)nc2c1	71798835	RKQHYIFFYUOCDJ-JXMROGBWSA-N	372.384	4.616	5	40	FJBB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C1/Sc2ccccc2NC1=O	409091920	VRLILDOODKNVFT-LDADJPATSA-N	369.446	4.526	5	40	FJBB	
COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1	4257501	GPDOBHQWMHONBO-QFIPXVFZSA-N	373.412	4.959	5	40	FJBB	
O=C(Nc1ccc(SC(F)F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	1517774	AYIINDBMDKGNNZ-UHFFFAOYSA-N	358.753	4.815	5	40	FJBB	
Cc1ccc(C(=O)NC2c3ccccc3Oc3ccccc32)cc1[N+](=O)[O-]	3084703	OOEYIWKUVJSMHV-UHFFFAOYSA-N	360.369	4.528	5	40	FJBB	
Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1Cl	4623861	JABDVNMXKUNEQI-UHFFFAOYSA-N	373.840	4.799	5	40	FJBB	
COc1cc2ccccc2cc1C(=O)Nc1c(C)cc([N+](=O)[O-])cc1C	72228635	HQKHQUJKIZDNKF-UHFFFAOYSA-N	350.374	4.626	5	40	FJBB	
COc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccccc3)c2c1	910529	WMEAJDRYSMNPTL-UHFFFAOYSA-N	357.369	4.881	5	40	FJBB	
CN1/C(=C\[C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)C(C)(C)c2ccccc21	12564956	KVBFEQLMPLBWDO-OFNOZLENSA-N	361.445	4.840	5	40	FJBB	
Cc1ccc2c(n1)sc1c2nc(C(F)(F)F)n2c3ccccc3nc12	15109250	PWPGVDQJDZHLGP-UHFFFAOYSA-N	358.348	4.973	5	40	FJBB	
CCCOc1ccc(Br)cc1CNc1ccc([N+](=O)[O-])cc1	315430903	KPQAJUXAYILULP-UHFFFAOYSA-N	365.227	4.758	5	40	FJBB	
Cc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-]	9064449	PVVZEMTXCHROFU-HNNXBMFYSA-N	353.422	4.534	5	40	FJBB	
Cc1ccc(NC(=O)CNc2ccccc2-c2ccccc2)cc1[N+](=O)[O-]	11618734	VJTQDYDEDCAYEZ-UHFFFAOYSA-N	361.401	4.621	5	40	FJBB	
CCc1ccc([C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)C)cc1	57568051	VXOBDGIKXZOOQG-FQEVSTJZSA-N	370.449	4.511	5	40	FJBB	
CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1C	225701590	KOGKWOQVUNLGLZ-FQEVSTJZSA-N	368.433	4.578	5	40	FJBB	
COc1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21	408994839	JUTSLLPDDJSDEE-UCCCNAJCSA-N	350.418	4.900	5	40	FJBB	
COc1ccc(OC)c2c1[C@H](c1ccccc1[N+](=O)[O-])O[C@H]1CCCC[C@H]21	15024283	ZIAKEACEGLRLJF-HTZUNMPGSA-N	369.417	4.758	5	40	FJBB	
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)CSc1ccc(Cl)cc1	408624026	WOMXOPXYWZBZPL-UHFFFAOYSA-N	371.245	4.941	5	40	FJBB	
CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)cn(-c2ccccc2)c1C	1753226	KDSKSQYCMGAPTN-UHFFFAOYSA-N	350.374	4.538	5	40	FJBB	
O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)nc3ccccc23)c([N+](=O)[O-])c1	3200350	AHRIFWJBSUNPAG-UHFFFAOYSA-N	372.340	4.780	5	40	FJBB	
COc1cc(-c2cc(=O)c3ccc4ccccc4c3o2)cc(Cl)c1O	41181956	MPMNBOUGIFSSMC-UHFFFAOYSA-N	352.773	4.981	5	40	FJBB	
O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3F)n2C2CC2)cc1	5333387	VHYNCBFXYLYOLN-UHFFFAOYSA-N	370.409	4.620	5	40	FJBB	
O=C(/C=C/c1ccccc1)OCc1cc(=O)oc2ccc3ccccc3c12	7699018	XNQWBFOVKIIPCC-JLHYYAGUSA-N	356.377	4.703	5	40	FJBB	
Cc1nc(-c2cccs2)ccc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1	84040867	MTTJINPHGIPHQR-GFCCVEGCSA-N	367.430	4.518	5	40	FJBB	
O=C1Nc2ccccc2S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	409105331	IMOBIHZMPZEOHL-WQRHYEAKSA-N	364.382	4.940	5	40	FJBB	
O=c1oc2c3c(ccc2c2ccccc12)OCN(c1ccc(F)cc1F)C3	2117380	YITLCNPSQOXBQU-UHFFFAOYSA-N	365.335	4.581	5	40	FJBB	biogenic
O=C(CC1CCCC1)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)O	12601114	BIORCPZFMZQFKT-UHFFFAOYSA-N	374.418	4.540	5	40	FJBB	
COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc(Cl)c1O	5130261	PVEBMAWRSNALPG-GORDUTHDSA-N	362.794	4.743	5	40	FJBB	
CCCc1nc2oc3ccc(Cl)cc3c(=O)c2c2nc3ccccc3n12	5207588	YMZCYMNKZDWELE-UHFFFAOYSA-N	363.804	4.748	5	40	FJBB	
CC(=O)c1ccc(Nc2ccc(NC(=O)CC(C)C)cc2)c([N+](=O)[O-])c1	24969642	OMBKRFNOWSREJO-UHFFFAOYSA-N	355.394	4.526	5	40	FJBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1	57313102	JWIFRZLTXJCSOG-UHFFFAOYSA-N	370.449	4.997	5	40	FJBB	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1	12944537	RMAGWXJEMTVPRJ-PLSXKVAHSA-N	350.374	4.574	5	40	FJBB	
O=[N+]([O-])c1ccc2oc(-c3ccc(Br)cc3Cl)nc2c1	226248514	KAGCDFVFUCGVEU-UHFFFAOYSA-N	353.559	4.819	5	40	FJBB	
CCc1sc(C)nc1-c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	408579334	FVPJFUPLHHVKMM-UHFFFAOYSA-N	367.430	4.841	5	40	FJBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Cl)c1)Cc1ccco1	16753951	KHDATNKBHQFHPX-UHFFFAOYSA-N	370.792	4.684	5	40	FJBB	
O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1NCc1ccccc1	72242783	ZGCUFXLCBHSLBN-UHFFFAOYSA-N	372.384	4.924	5	40	FJBB	
CC(C)c1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1	1304160	APVFQZOUVISHDM-CXUHLZMHSA-N	370.792	4.716	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2cc(C=O)c3ccccc32)o1	226768529	GXROXMRBKROZJU-UHFFFAOYSA-N	374.352	4.619	5	40	FJBB	
Cc1cccc2c1Oc1ccccc1[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1	3953936	OXBFBNIBDQNWOK-LJQANCHMSA-N	360.369	4.528	5	40	FJBB	in-vitro
O=C(OCCN=c1c2ccccc2ccc2ccccc12)c1ccccc1	6003057	YANJNZAJRMMXON-UHFFFAOYSA-N	353.421	4.751	5	40	FJBB	
O=C(Nc1cccc(F)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	7944825	NRTWVHVKQSICDM-UHFFFAOYSA-N	360.728	4.900	5	40	FJBB	
CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc([N+](=O)[O-])ccc1C	40095694	VQEVDJAMUJAWOK-UHFFFAOYSA-N	353.831	4.672	5	40	FJBB	
CC1CCN(c2cc(NC(=O)c3ccccc3)c(Cl)cc2[N+](=O)[O-])CC1	72229099	UWMDOVBNCGQEFB-UHFFFAOYSA-N	373.840	4.737	5	40	FJBB	
COc1ccc(N(C)C(=S)Nc2ccc3nc4ccccc4nc3c2)cc1	408977278	WOHWLNGUDMBQNW-UHFFFAOYSA-N	374.469	4.625	5	40	FJBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccco2)nc2ccccc12	3249982	ICTJKBKAXLRGNJ-UHFFFAOYSA-N	374.352	4.760	5	40	FJBB	
CC(C)Oc1ncccc1CNC(=O)c1cc2ccccc2c2cccnc12	84621955	VJQHBZPVXIUXIV-UHFFFAOYSA-N	371.440	4.500	5	40	FJBB	
Cc1ccccc1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12	97165898	NRZMJAOTWMEOFE-UHFFFAOYSA-N	364.351	4.520	5	40	FJBB	
O=[N+]([O-])c1ccccc1-c1nnc(COc2ccc(Cl)cc2Cl)o1	111859066	UYNXJFKYWZMTHR-UHFFFAOYSA-N	366.160	4.531	5	40	FJBB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	408999098	WHXWPGLWRCNYTD-NFKIQKPMSA-N	364.401	4.590	5	40	FJBB	
C[C@@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1	6549363	KPNVVDRANFTIAT-JATZPVMKSA-N	354.387	4.522	5	40	FJBB	
Cc1ccc2c(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cccc2n1	21595568	MFOXPQRSMJTVMN-UHFFFAOYSA-N	373.368	4.964	5	40	FJBB	
CC(C)n1[nH]c(=O)c2c(-c3ccccc3)c3oc4cc(O)ccc4c3nc21	79191572	KQDGNXQCHXYKRW-UHFFFAOYSA-N	359.385	4.578	5	40	FJBB	biogenic
CCc1c(-c2ccc([N+](=O)[O-])cc2)c(=O)oc2ccc(Br)cc12	2631217	KYSDIHWJAQWCEA-UHFFFAOYSA-N	374.190	4.693	5	40	FJBB	
CCC(C)(C)NC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1	3327725	PJAVPVLCQSABAZ-UHFFFAOYSA-N	362.426	4.804	5	40	FJBB	
COc1ccc(OC)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)O[C@@H]1CCCC[C@H]21	6668169	XQYSWHWKNJFTCV-GCKMJXCFSA-N	369.417	4.758	5	40	FJBB	
O=C(CCc1ccccc1)Nc1ccc2c(=O)c3cccc(F)c3oc2c1	6660892	WBWDNVVQAKIWIU-UHFFFAOYSA-N	361.372	4.657	5	40	FJBB	
Cc1ccc([C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)cc1	22523794	RZGYFPSHWAVNER-OAQYLSRUSA-N	360.413	4.731	5	40	FJBB	
O=C(O)CC/C(=C/c1ccccc1[N+](=O)[O-])c1nc2ccccc2s1	33581535	OROUQJBSSLJYKH-QBFSEMIESA-N	354.387	4.610	5	40	FJBB	
O=C(c1ccccc1)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21	630730	PYEDPPASSYSFMN-UHFFFAOYSA-N	374.399	4.823	5	40	FJBB	
Cc1ccc(-c2csc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1	671452	JBUUOCLWGJKCSG-UHFFFAOYSA-N	353.403	4.587	5	40	FJBB	
Cc1ccc(C2=N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)O2)cc1	5003078	IEDWJQBMVKVPOM-PDGQHHTCSA-N	374.352	4.508	5	40	FJBB	
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc([N+](=O)[O-])c1	7688109	WGRABWQIDASFLK-UHFFFAOYSA-N	368.311	4.655	5	40	FJBB	
Cc1ccc(NC(=O)c2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1	408721210	FAHQMLSQORMSBV-UHFFFAOYSA-N	352.397	4.825	5	40	FJBB	
COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1OC	5516058	NKQHAAMNQRNYBE-UHFFFAOYSA-N	369.424	4.803	5	40	FJBB	
CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(Cl)c(Cl)c1	7001071	HLGWUZSDIVKYPY-GQCTYLIASA-N	367.188	4.644	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1	95977157	FFTUUECSEQUJAN-DYESRHJHSA-N	365.433	4.836	5	40	FJBB	
O=C1C(Nc2ccccc2)=C[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1	100518978	HKPGEBQMGUIXMA-OAQYLSRUSA-N	371.396	4.679	5	40	FJBB	
COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1	408995777	NISSAZXJCVFJIH-IFCUIPEHSA-N	350.418	4.900	5	40	FJBB	
Cc1ccc([C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)cc1	22523789	RZGYFPSHWAVNER-NRFANRHFSA-N	360.413	4.731	5	40	FJBB	
CCc1cc([N+](=O)[O-])cc2nc(Cc3ccc(Br)cc3)oc12	73642641	DHKYQZBXBINNRZ-UHFFFAOYSA-N	361.195	4.652	5	40	FJBB	
Cc1cc2sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc2cc1Cl	6826344	ZLNXFXFBXSIWLW-AATRIKPKSA-N	373.821	4.818	5	40	FJBB	
Cc1cc(O[C@H](C)C(=O)c2ccccc2)cc2oc(=O)c3ccccc3c12	4747441	ZRCGINWYEIPPNE-OAHLLOKOSA-N	358.393	4.905	5	40	FJBB	biogenic
Cc1ccc(C(C)C)c(OCC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1	15178723	WKRLDUWGAWCJPT-MRXNPFEDSA-N	370.449	4.625	5	40	FJBB	
COc1ccc2nc3ccccc3nc2c1NC(=O)c1cccc(Cl)c1	76494934	LPQRMZMQIPUJDJ-UHFFFAOYSA-N	363.804	4.697	5	40	FJBB	
Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@H]2c2ccc([N+](=O)[O-])cc2)c1	4663761	OSXQEAYNFKBXQA-OAQYLSRUSA-N	373.412	4.983	5	40	FJBB	
O=[N+]([O-])c1ccc(CN2CCC(c3nc4ccccc4s3)CC2)cc1	4966553	UGJPLVQQOAHKFN-UHFFFAOYSA-N	353.447	4.584	5	40	FJBB	
O=c1c2ccccc2[nH]c2ccc(OCc3coc(-c4cccs4)n3)cc12	12521529	QYFILMJGYCBZML-UHFFFAOYSA-N	374.421	4.977	5	40	FJBB	
O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1	4599974	ASVIMJACHXAECL-UHFFFAOYSA-N	364.376	4.895	5	40	FJBB	
Cc1cc([C@H](C)NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)s1	95349612	BGLCBNCFPHMKBV-ZRQQLDRUSA-N	364.854	4.817	5	40	FJBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)C1[C@H]2CCC[C@H]1C2c1ccccc1	100547426	SLBAQKDVVGCPQK-BEEJXANESA-N	350.418	4.672	5	40	FJBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(SC(F)F)cc1	6889359	GWEFMOHLRLJYOK-BJMVGYQFSA-N	350.346	4.561	5	40	FJBB	
Cc1c(NC(=O)CNc2ccccc2-c2ccccc2)cccc1[N+](=O)[O-]	11618785	RPSZJZJDDYSCFR-UHFFFAOYSA-N	361.401	4.621	5	40	FJBB	
Cc1cc(NS(=O)(=O)c2ccc(F)cc2)c2ccc3ccccc3c2n1	40384468	DAYAPXMTWRSRNM-UHFFFAOYSA-N	366.417	4.636	5	40	FJBB	
COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1	408993506	VWFKRCALKFMJLC-AQJGMREQSA-N	350.418	4.900	5	40	FJBB	
COc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C(C)C	223265980	BFTOXYZWWPBGOR-HNNXBMFYSA-N	370.449	4.835	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](CO)c1cccc(Cl)c1Cl	595827266	BGBKMRVPNYRXDZ-BZNIZROVSA-N	369.248	4.594	5	40	FJBB	
O=C(O)CC/C(=C\c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1	5937656	XULGLVDYWYNFAP-JLHYYAGUSA-N	354.387	4.610	5	40	FJBB	
O=C(O)C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2s1	28699941	ULSTXNHBDTZMAE-XFFZJAGNSA-N	374.805	4.873	5	40	FJBB	
CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC	408606667	JQMOKRHNBSGYDC-UHFFFAOYSA-N	350.802	4.658	5	40	FJBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)Cc1ccccc1-2	861616	LDAKIFDPKNDJST-DHZHZOJOSA-N	356.381	4.818	5	40	FJBB	
COc1ccc(/C=C/C(=O)Nc2ccc3c(=O)c4ccccc4oc3c2)cc1	6660389	MUTPPXKSOKVOEL-MDWZMJQESA-N	371.392	4.607	5	40	FJBB	
CCSc1ccccc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	5240686	ZVOBZJIQWRTRLJ-UHFFFAOYSA-N	359.432	4.569	5	40	FJBB	
Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1ccc(F)cc1)CO2	2112560	KIDILMWDUJNINE-UHFFFAOYSA-N	361.372	4.750	5	40	FJBB	biogenic
COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccccc1	2206593	JPBDOMNHLMGMQN-UHFFFAOYSA-N	369.424	4.825	5	40	FJBB	
Cc1ccc(F)cc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1	6249526	YBHQBSZWLQEBCB-ZDUSSCGKSA-N	371.412	4.531	5	40	FJBB	
CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1C	225763450	LNFJDEJWQFTTCW-HXUWFJFHSA-N	368.433	4.578	5	40	FJBB	
O=c1c2ccccc2nc2c3ccccc3c(SCc3ccccc3)nn12	719557	JLKTUESEWXCBKN-UHFFFAOYSA-N	369.449	4.688	5	40	FJBB	
CCOP(=O)(OCC)[C@@H](Nc1cccc([N+](=O)[O-])c1)c1ccccc1	1646002	PPUIQPHUSHPJKF-QGZVFWFLSA-N	364.338	4.972	5	40	FJBB	
Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)o1	7967710	AUHZRYQOEBRYDP-UHFFFAOYSA-N	363.782	4.525	5	40	FJBB	
O=[N+]([O-])c1ccc(N[C@@H](c2ccc3c(c2)CCC3)c2cccs2)nc1	13014479	ZULKXUCDOAQYEL-IBGZPJMESA-N	351.431	4.742	5	40	FJBB	
O=[N+]([O-])c1ccc(Oc2ccc(CNc3ccccc3)cc2)c([N+](=O)[O-])c1	409110538	DTRLJHPDXIBZDR-UHFFFAOYSA-N	365.345	4.907	5	40	FJBB	
CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2[N+](=O)[O-])N3)C1	4545407	JVHXOBHKMHBLBZ-QFYYESIMSA-N	357.435	4.600	5	40	FJBB	
CCCCCC[C@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21	12528019	OJTWJMGMYVJJGR-KRWDZBQOSA-N	364.489	4.630	5	40	FJBB	
Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1Cl	408621226	KSKTXNVYTZSNGQ-UHFFFAOYSA-N	373.821	4.932	5	40	FJBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)Oc1ccc(-c2ccccc2)cc1	5208304	JNEYXUVPZLNAQF-UHFFFAOYSA-N	364.357	4.881	5	40	FJBB	
CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	17074670	PVOQBNQVDZOLAM-GFCCVEGCSA-N	362.813	4.779	5	40	FJBB	
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1-c1ccccc1	3515219	HMEZFBPKQGGPJB-OAHLLOKOSA-N	362.385	4.668	5	40	FJBB	
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Sc1nccn1C1CC1	71793335	RZBKRAAHJVMGAE-UHFFFAOYSA-N	363.748	4.950	5	40	FJBB	
O=[N+]([O-])c1cc2c(cc1C=Cc1ccccc1)[C@@H](O)[C@H](c1ccccc1)N2	2049239187	ITOQIWZOAQFVLF-FCHUYYIVSA-N	358.397	4.965	5	40	FJBB	
O=c1[nH]c2ccccc2nc1CSc1nc2ccccc2c2ccccc12	12139488	YUVFTXKZCXDENQ-UHFFFAOYSA-N	369.449	4.917	5	40	FJBB	
C[C@@H](c1ccccc1)[C@H]1OC[C@H](C[N+]2(Cc3ccccc3)CCCCC2)O1	4364526	JDFNXYLSSCARAW-OYDLWJJNSA-N	366.525	4.733	5	40	FJBB	
O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc([N+](=O)[O-])cc1	5949169	NPFJPNORAJCZNE-UHFFFAOYSA-N	359.341	4.655	5	40	FJBB	
CCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1	6962175	RFFATHPSYIGHDX-UHFFFAOYSA-N	353.403	4.533	5	40	FJBB	
CN(C)CCC(=O)c1ccc2cc(Br)c3ccccc3c2c1	1676782	WVNMCRLMRKIADH-UHFFFAOYSA-N	356.263	4.890	5	40	FJBB	
Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1cccc(F)c1)CO2	2122249	PWLKFGWNSLHDKW-UHFFFAOYSA-N	361.372	4.750	5	40	FJBB	biogenic
Cc1cc(C)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1	11246788	ISLQYUCSGVOHBR-UHFFFAOYSA-N	370.452	4.719	5	40	FJBB	
C[C@H](SCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1F	60518371	VUCJBNAMLVKMMK-JTQLQIEISA-N	367.373	4.734	5	40	FJBB	
O=[N+]([O-])c1ccc(CSc2nc3ccc(Br)cc3[nH]2)cc1	20765226	LPTNFQLKNGVMJB-UHFFFAOYSA-N	364.224	4.526	5	40	FJBB	
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccc(Cl)c1	5671120	QBRBGCHQGIJSKN-UHFFFAOYSA-N	359.794	4.624	5	40	FJBB	
CN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1	13712627	RWDBTBGVPGCVJG-NRFANRHFSA-N	356.385	4.608	5	40	FJBB	
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2nc1Cl	5446957	LTENBMMABCCJBT-UHFFFAOYSA-N	362.172	4.702	5	40	FJBB	
O=[N+]([O-])c1ccc2nc(-c3cc(Br)ccc3Cl)oc2c1	73640091	GOVCIQUSSIVTKT-UHFFFAOYSA-N	353.559	4.819	5	40	FJBB	
Cc1ccc(NC(=O)[C@H](Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	89626370	CLEKHZDHWQONQK-HXUWFJFHSA-N	361.401	4.695	5	40	FJBB	
Cc1cc([N+](=O)[O-])cc2nc(/C=C/c3ccc(Br)cc3)oc12	226249715	NIMDNCIFTTVVRP-QPJJXVBHSA-N	359.179	4.977	5	40	FJBB	
O=C(OC[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1	5119107	GMKJTBKWFFGKGT-HNJRGHQBSA-N	351.402	4.582	5	40	FJBB	
COc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccc(Cl)cc2[C@@H]2OCC[C@H]12	8165916	RRHCHQVMNLHETK-NXOUGTEYSA-N	360.797	4.501	5	40	FJBB	
O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3C[C@@H](c4ccccc4)NN32)c1	19171689	JHBBRCDFRDNVNA-ONTIZHBOSA-N	373.412	4.679	5	40	FJBB	
CCCCn1cc(OC(=O)CC)c2c1nc(CC)n1c3ccccc3nc21	2450117	NVXLGVYMVJJVCH-UHFFFAOYSA-N	364.449	4.515	5	40	FJBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCCCCCCCCCC1	6343813	SXJOZMXZHMOWPK-UHFFFAOYSA-N	368.499	4.546	5	40	FJBB	
O=[N+]([O-])c1cccc2ccc(/C=C/c3c(Cl)nc4sccn34)nc12	6832421	VSEFRNCIXIAKKU-VOTSOKGWSA-N	356.794	4.676	5	40	FJBB	
Cc1c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cccc1[N+](=O)[O-]	8833420	AFJDMVJUFYJFAR-UHFFFAOYSA-N	372.384	4.699	5	40	FJBB	
Cc1cc(C)c2c(n1)sc1c2ncn2nc([C@@H]3C[C@@H]3c3ccccc3)nc12	13643604	ZEZNUJOGZQETJT-HUUCEWRRSA-N	371.469	4.775	5	40	FJBB	
C[C@H]([C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1)N(C)C	1676786	UNLWTAFIHVOCIF-CWTRNNRKSA-N	358.279	4.739	5	40	FJBB	
CSc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1	4517492	JAVSLPNDWYOUIP-UHFFFAOYSA-N	371.443	4.693	5	40	FJBB	
CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc([N+](=O)[O-])c1C	20454424	BTQBGSXGOTUVJM-FQEVSTJZSA-N	364.401	4.853	5	40	FJBB	
C[C@@H]1CCCCN1c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	408629032	IQAHBNVATLCYSQ-CYBMUJFWSA-N	373.840	4.879	5	40	FJBB	
O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cccc([N+](=O)[O-])c1	6547316	VCOPWPFDBKBCEY-UHFFFAOYSA-N	365.370	4.717	5	40	FJBB	
CSc1ccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1[N+](=O)[O-]	12987210	OVZVUIRIFGABKJ-GFCCVEGCSA-N	374.487	4.848	5	40	FJBB	
CCOc1cc(NCc2ccc(OCC(F)(F)F)cc2)ccc1[N+](=O)[O-]	72307803	UQNGAVBNNMKNAR-UHFFFAOYSA-N	370.327	4.547	5	40	FJBB	
CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc2ccccc2c1	5898849	HMIRKLSPCGBKQY-UHFFFAOYSA-N	364.401	4.813	5	40	FJBB	
C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCCC2	7706001	RXLFGZXKNCUILX-LBPRGKRZSA-N	358.825	4.618	5	40	FJBB	
O=[N+]([O-])c1ccc(Sc2nnc3sc4ccccc4n23)c(Cl)c1	22530099	NBTMHANPDLLSJL-UHFFFAOYSA-N	362.823	4.657	5	40	FJBB	
O=[N+]([O-])c1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1	408993631	WVWVWCXWWZINJB-UHFFFAOYSA-N	355.419	4.631	5	40	FJBB	
Cc1c(OCC(=O)c2ccc(F)cc2)ccc2c1oc(=O)c1ccccc12	5921523	YJDYRGYXBJJQKK-UHFFFAOYSA-N	362.356	4.655	5	40	FJBB	
CSc1nc2ccc3ncc4c(=O)c5ccccc5oc4c3c2s1	12880065	BEUBANIXZUWJSH-UHFFFAOYSA-N	350.424	4.826	5	40	FJBB	
Cc1ccc(-c2noc(-c3ccc(Oc4cccnc4)cc3)n2)cc1[N+](=O)[O-]	545569218	GEGSKOKCMFURBV-UHFFFAOYSA-N	374.356	4.808	5	40	FJBB	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1	12944545	RMAGWXJEMTVPRJ-VNDWYCCKSA-N	350.374	4.574	5	40	FJBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)C1[C@@H]2CCC[C@@H]1C2c1ccccc1	100547422	SLBAQKDVVGCPQK-NXMBOHNASA-N	350.418	4.672	5	40	FJBB	
O=C(Nc1cc2ncccc2c2cccnc12)N1CC[C@@H](c2ccccc2)C1	408976357	QSVGKYYAVWWWCO-QGZVFWFLSA-N	368.440	4.804	5	40	FJBB	
Cc1ccccc1C(=O)Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl	72229097	LIWQKIYIEXKBHM-UHFFFAOYSA-N	373.840	4.799	5	40	FJBB	
COc1ccc(NC(=S)Nc2cc3cccnc3c3cccnc23)cc1	408975859	OJAGJHSFYPDFIP-UHFFFAOYSA-N	360.442	4.601	5	40	FJBB	
C[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2S1	15544422	BWCANTJCNBWKDV-ZHZWZMEUSA-N	354.431	4.526	5	40	FJBB	
Cc1noc(/C=C\c2ccccc2OCc2ccccc2F)c1[N+](=O)[O-]	408543662	PTIDCQWLVBYKGK-KHPPLWFESA-N	354.337	4.780	5	40	FJBB	
C[C@@H]1C/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3c(C(=O)O)c2C1	33597397	SOXKAFNAHIIIQA-DKXRRRNBSA-N	374.396	4.964	5	40	FJBB	
O=C(NCCC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1	5681851	MOWJHAMSAOVWAN-UHFFFAOYSA-N	360.413	4.547	5	40	FJBB	
O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cccc([N+](=O)[O-])c1	10120052	NBHLEETXDWXCPL-UHFFFAOYSA-N	373.368	4.579	5	40	FJBB	
O=C(CCc1cccc2ccccc12)Nc1cc([N+](=O)[O-])ccc1Cl	222670533	NSJNTRMKMIXMBU-UHFFFAOYSA-N	354.793	4.973	5	40	FJBB	
CSc1ncccc1C(=O)OCc1nc2ccccc2c2ccccc12	6609228	MZSFWJFNJJVXAC-UHFFFAOYSA-N	360.438	4.862	5	40	FJBB	
Cc1ccc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-]	29848027	FHQRIGLNDABXQC-OAQYLSRUSA-N	372.424	4.691	5	40	FJBB	
COc1cccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1	408922986	DGFLEIBYHGLXTO-KGENOOAVSA-N	374.396	4.783	5	40	FJBB	
O=C(NCc1ccco1)c1ccc2sc3nc4ccccc4nc3c2c1	408977582	XJQFQAGGXFJSLZ-UHFFFAOYSA-N	359.410	4.521	5	40	FJBB	
CN(c1ccccc1)c1nc(Cl)nc(/C=C/c2ccccc2)c1[N+](=O)[O-]	4420718	PVNNIIBEPCNWIA-OUKQBFOZSA-N	366.808	4.977	5	40	FJBB	
COc1ccccc1CNc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1	7889376	JSCZIJRGDXWGKM-UHFFFAOYSA-N	355.419	4.647	5	40	FJBB	
O=C(Oc1c(Cl)cc(Cl)c2cccnc12)c1cccc([N+](=O)[O-])c1	2836545	YYSDAGVXAVMNPW-UHFFFAOYSA-N	363.156	4.669	5	40	FJBB	
O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	5442823	WEXHGEXQAHAFOK-GOSISDBHSA-N	362.385	4.662	5	40	FJBB	
Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])s2)cc1	7975446	NKOCYRLKHNRSNK-UHFFFAOYSA-N	352.415	4.812	5	40	FJBB	
O=C(Oc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12)c1ccccc1	3844597	DYOQSCQYEDNBJT-UHFFFAOYSA-N	358.353	4.962	5	40	FJBB	
COc1ccc(OCc2nc3ccccc3c3ccccc23)c([N+](=O)[O-])c1	7736850	DYKYGCKNDRSPQZ-UHFFFAOYSA-N	360.369	4.884	5	40	FJBB	
O=C(Nc1nc2ccccc2c2nc3ccccc3n12)c1ccc(Cl)cc1	6309717	YSKAQXBEOWIGFK-UHFFFAOYSA-N	372.815	4.941	5	40	FJBB	
Cc1cccc(NC(=O)Cc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c1	7889401	XUPOHVAOIVRJCT-UHFFFAOYSA-N	367.430	4.516	5	40	FJBB	
O=C(O)c1cc([N+](=O)[O-])cc2c1C=Cc1cc(Cl)cc(Cl)c1O2	1432625	DTGNSKYBBXTPTK-UHFFFAOYSA-N	352.129	4.876	5	40	FJBB	
CSc1nc2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2s1	3295401	BYJICIQXHSWXLJ-RUDMXATFSA-N	371.443	4.578	5	40	FJBB	
COc1ccc(C2=NN(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1	4955742	NWBGGRJWENBGAN-QFIPXVFZSA-N	373.412	4.959	5	40	FJBB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cccc1Cl	7093579	XNMQCKPXFWIBIA-UHFFFAOYSA-N	371.245	4.774	5	40	FJBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c2ncsc12	7598821	VFSJSTPRUNFCLQ-QPJJXVBHSA-N	359.794	4.510	5	40	FJBB	
O=c1c2ccccc2oc2cc(OCc3c(F)cccc3F)cc(O)c12	8519987	HUQDXJFTILXREE-UHFFFAOYSA-N	354.308	4.509	5	40	FJBB	biogenic
Cc1csc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)n1	15140627	IJQQCBONPBHAQQ-UHFFFAOYSA-N	357.347	4.727	5	40	FJBB	
Cc1[nH]c(SCc2cccc([N+](=O)[O-])c2C)nc1Cc1ccccc1	59122203	HTTFJPZBSDLNQT-UHFFFAOYSA-N	353.447	4.818	5	40	FJBB	
CCCOc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OC	408607283	KNGJWHASVCKQBH-UHFFFAOYSA-N	350.802	4.658	5	40	FJBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1	6597286	LBVOWFXAZMIMQO-UHFFFAOYSA-N	363.369	4.531	5	40	FJBB	
O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccccc1[N+](=O)[O-]	9141700	LDIQYNGHLUDLSQ-UHFFFAOYSA-N	354.406	4.660	5	40	FJBB	
Cc1ccc(-c2ccc(/C=C\c3onc(C)c3[N+](=O)[O-])o2)cc1[N+](=O)[O-]	408544917	WBBKFDFRBRQJKI-VURMDHGXSA-N	355.306	4.538	5	40	FJBB	
COc1ccccc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl	8071923	RYIFIWAAMCRBOI-UHFFFAOYSA-N	362.794	4.724	5	40	FJBB	
O=c1oc2c([N+](=O)[O-])cccc2cc1-c1nc(-c2ccc(F)cc2)cs1	2205743	QROLNAYTPSYOAX-UHFFFAOYSA-N	368.345	4.631	5	40	FJBB	
CC[C@@H](C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	7072926	CWFRSQIRAINZRA-GFCCVEGCSA-N	362.813	4.779	5	40	FJBB	
Cc1nn2c(nc(Oc3ccccc3[N+](=O)[O-])c3ccccc32)c1Cl	16737768	WJGAVXJCAZMBNY-UHFFFAOYSA-N	354.753	4.545	5	40	FJBB	
Cc1cc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)ccc1Cl	4689059	IXQLNTDCTCRFBA-UHFFFAOYSA-N	369.204	4.536	5	40	FJBB	
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1-c1ccccc1	3515217	HMEZFBPKQGGPJB-HNNXBMFYSA-N	362.385	4.668	5	40	FJBB	
CC(/C=C1\N=C(c2ccc(Cl)c([N+](=O)[O-])c2)OC1=O)=C\c1ccccc1	4644418	WMEGVAWOZRJXJE-QLBXNTAJSA-N	368.776	4.539	5	40	FJBB	
Cc1nn(-c2ccc(Br)cc2)c(C)c1-c1cccc([N+](=O)[O-])c1	5034032	VUXMPHKTUNYTIK-UHFFFAOYSA-N	372.222	4.827	5	40	FJBB	
CC(C)(C)c1ccc(-c2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)n[nH]2)cc1	40169668	LYTCRROFDINIBL-UHFFFAOYSA-N	356.813	4.998	5	40	FJBB	
Cc1cccc(C)c1Nc1nc(C)c([N+](=O)[O-])c(N(C)c2ccccc2)n1	5390608	VXBRKTDYRCXTKF-UHFFFAOYSA-N	363.421	4.822	5	40	FJBB	
CC[C@@H](C)c1ccccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	5949817	WGBLLZVTNFVZOW-OAHLLOKOSA-N	367.449	4.961	5	40	FJBB	
O=C(Nc1ccc2scnc2c1)c1cc2c(ccc3ccccc32)oc1=O	9472074	ONTKCGXCNOQBJW-UHFFFAOYSA-N	372.405	4.808	5	40	FJBB	
O=C(Nc1cc2cccnc2c2cccnc12)N1CC[C@@H](c2ccccc2)C1	408976961	UCBPWMNWXSZFND-GOSISDBHSA-N	368.440	4.804	5	40	FJBB	
C[C@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2cccc([N+](=O)[O-])c2)N3)C1	4571452	HVYBXXQTRHGROY-NSNHRWCXSA-N	369.446	4.551	5	40	FJBB	
COc1ccc(OC)c(CSc2nc3ccc([N+](=O)[O-])cc3s2)c1	7184942	SZYWCXKCSZZXHU-UHFFFAOYSA-N	362.432	4.514	5	40	FJBB	
CN(C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1	10285065	CQTFNVMTWDDPTO-LTGZKZEYSA-N	358.397	4.798	5	40	FJBB	
COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1	408993511	VWFKRCALKFMJLC-PPRBQIKUSA-N	350.418	4.900	5	40	FJBB	
Cc1ccc(C2=N/C(=C\c3ccc(C(C)(C)C)cc3)C(=O)O2)cc1[N+](=O)[O-]	4508014	AKEMNUMZHIUCPH-BOPFTXTBSA-N	364.401	4.545	5	40	FJBB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	408996781	NCVGXSIZVDRGMS-CQTZQYROSA-N	364.401	4.590	5	40	FJBB	
CC[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O	409009833	INFWUDJVLOMLPM-OKHBPPCESA-N	372.402	4.690	5	40	FJBB	
CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc([N+](=O)[O-])c2)N3)C1	4545410	CLRHKFSHHLVFEE-HWPZZCPQSA-N	357.435	4.600	5	40	FJBB	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cc1cc(Cl)ccc1[N+](=O)[O-]	4660250	CDPDCRHHSXXBBE-ISTRZQFTSA-N	353.846	4.795	5	40	FJBB	
Ic1c2ccccc2c(N2CCC2)c2ccccc12	2362804421	ZYUFUOBUYCHNDU-UHFFFAOYSA-N	359.210	4.808	5	40	FJBB	
O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1	2716181	CQGJCKMCEJZQAT-UHFFFAOYSA-N	368.219	4.811	5	40	FJBB	
Cc1c(CSc2nnc(-c3ccco3)n2CC(C)C)cccc1[N+](=O)[O-]	40122987	PZDDHTJKRIRPDW-UHFFFAOYSA-N	372.450	4.703	5	40	FJBB	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1C1CCCCC1	58030023	WZDOJJMRUAJVPV-KBXCAEBGSA-N	362.495	4.647	5	40	FJBB	
Cc1cc(NC(=S)Nc2ccc(F)c(Cl)c2)c([N+](=O)[O-])cc1C	6831721	ZBRMHWGNJQHKKP-UHFFFAOYSA-N	353.806	4.813	5	40	FJBB	
CCCCNc1ccc(-c2nc(-c3ccccc3OC)no2)cc1[N+](=O)[O-]	20897712	LRPIQOQXXZLITA-UHFFFAOYSA-N	368.393	4.532	5	40	FJBB	
O=[N+]([O-])c1ccc(NCc2ccccc2OCc2ccccc2F)cc1	408603105	ATOUFIJZYCAGSJ-UHFFFAOYSA-N	352.365	4.925	5	40	FJBB	
Cc1cccc(NC(=O)c2sc(C)nc2-c2ccc([N+](=O)[O-])cc2)c1	947148	SGDKAVSBILDRIA-UHFFFAOYSA-N	353.403	4.587	5	40	FJBB	
Cc1csc2nc(CSc3nc4cc([N+](=O)[O-])ccc4s3)cn12	1832968	NPCIZGAOZUIIPW-UHFFFAOYSA-N	362.461	4.514	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cccc2ccccc12	4745480	VGSAHGLYQYHFGC-UHFFFAOYSA-N	371.190	4.763	5	40	FJBB	
CCc1cccc(CC)c1NC(=O)CSCc1ccc([N+](=O)[O-])cc1	7093530	VPBPNDXECOZPLW-UHFFFAOYSA-N	358.463	4.592	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1	95977160	FFTUUECSEQUJAN-UWJYYQICSA-N	365.433	4.836	5	40	FJBB	
CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(N)c([N+](=O)[O-])c1	101375720	HHPYJCDBNRODOQ-JZJYNLBNSA-N	374.853	4.613	5	40	FJBB	
C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccccc2[N+](=O)[O-])N3)C1	4571562	YHFZPSCXTCGHEF-AEJRJEJWSA-N	369.446	4.551	5	40	FJBB	
O=[N+]([O-])c1c(N[C@@H](Cc2ccccc2)c2ccccc2)nc2sccn12	8338334	HCABMPDTOHTZLO-INIZCTEOSA-N	364.430	4.700	5	40	FJBB	
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccccc1Br	13608728	YESQLYWLGRFLTQ-UHFFFAOYSA-N	369.602	4.571	5	40	FJBB	
Cc1cc(C)c2c(n1)sc1c2ncn2nc([C@H]3C[C@H]3c3ccccc3)nc12	13643613	ZEZNUJOGZQETJT-GJZGRUSLSA-N	371.469	4.775	5	40	FJBB	
CC(C)(C)c1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408681779	ZBTUQQJTBKXLEH-UHFFFAOYSA-N	362.813	4.563	5	40	FJBB	
O=[N+]([O-])c1cc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3o2)ccc1Cl	3149140	RVVAAHOKSQONCU-UHFFFAOYSA-N	354.105	4.618	5	40	FJBB	
COc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc(Cl)c1OC	5155793	UDPTYFXWLQZNHU-SOFGYWHQSA-N	370.792	4.984	5	40	FJBB	
Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]	14258360	OBMVDDJVJLKETM-UHFFFAOYSA-N	358.703	4.828	5	40	FJBB	
CN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1	13712632	RJUKCEWIGYCPTF-OAQYLSRUSA-N	356.385	4.608	5	40	FJBB	
COCc1ccc(C(=O)OCc2nc3ccccc3c3ccccc23)cc1	6590871	BMPRJNJDFORYLH-UHFFFAOYSA-N	357.409	4.891	5	40	FJBB	
O=[N+]([O-])c1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1	8410016	IKDLGWUJLYZIGJ-UHFFFAOYSA-N	371.462	4.738	5	40	FJBB	
CCCc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1	12607882	ZSRDJKMLELOXMY-UHFFFAOYSA-N	370.452	4.746	5	40	FJBB	
C[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1	29994388	OVOVGDHJASVTJY-JTQLQIEISA-N	370.188	4.585	5	40	FJBB	
CC(C)c1ccc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	218127163	HJGXYUPCAGXSRA-UHFFFAOYSA-N	360.841	4.734	5	40	FJBB	
COc1ccc(NC(=S)Nc2cc3ncccc3c3cccnc23)cc1	408973252	ADDYTSKVHPSNHT-UHFFFAOYSA-N	360.442	4.601	5	40	FJBB	
O=[N+]([O-])c1cc2c(c(COc3ccc(-c4ccccc4)cc3)c1)OCOC2	2632306	XTWVVVOYSPKJOP-UHFFFAOYSA-N	363.369	4.707	5	40	FJBB	
CC(=O)c1cccc(NC(=O)c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c1	11690006	RTKDVJAXZFJRKL-UHFFFAOYSA-N	364.357	4.618	5	40	FJBB	
CCOP(=O)(OCC)[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1	3897031	STNMZCHFTBZXMX-QGZVFWFLSA-N	364.338	4.972	5	40	FJBB	
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)cn1	4776831	JPGULGSRZBCTOL-JXMROGBWSA-N	369.764	4.555	5	40	FJBB	
CC(=O)c1ccc2c(=O)n3c4cc5ccccc5cc4nc3c3cccc1c23	5379287	LBROUBROJPTSNX-UHFFFAOYSA-N	362.388	4.948	5	40	FJBB	
O=C1Nc2ccccc2S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	33362102	SRESPCIDFYZRRM-WQRHYEAKSA-N	364.382	4.940	5	40	FJBB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	217872877	GCTDIEQRWNWGIF-HNNXBMFYSA-N	374.824	4.589	5	40	FJBB	
Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	226766898	WHDRWHVXXCQQDV-UHFFFAOYSA-N	374.352	4.619	5	40	FJBB	
CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	222962469	BMVLLIAKJDMDDH-INIZCTEOSA-N	362.813	4.661	5	40	FJBB	
C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	408629335	XLFFTQDIJVZJFP-ZDUSSCGKSA-N	373.840	4.879	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(c1ccccc1)c1ccccc1	4857701	FPLSWOOVJJUWBF-HXUWFJFHSA-N	358.397	4.540	5	40	FJBB	
Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1nccs1	5033220	APKZASMNKXZIHQ-UHFFFAOYSA-N	363.782	4.525	5	40	FJBB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	408996794	NCVGXSIZVDRGMS-ROILNYFKSA-N	364.401	4.590	5	40	FJBB	
CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1C	30852244	NWXWNPXUEGQYII-IBGZPJMESA-N	364.401	4.853	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(F)c(Cl)c2)o1	408625879	YNWMWEUPTXKEMV-UHFFFAOYSA-N	360.728	4.900	5	40	FJBB	
Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c([N+](=O)[O-])c1	4591082	ZXARLUUVZKCZIB-UHFFFAOYSA-N	371.780	4.772	5	40	FJBB	
COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)c3cccs3)ccc12	5548494	QBAUZIJIDXTQHF-UHFFFAOYSA-N	366.394	4.544	5	40	FJBB	
Cc1c(NC(=O)CCSc2ccc(Cl)cc2)cccc1[N+](=O)[O-]	6455965	CKWOFOMUHMOFPT-UHFFFAOYSA-N	350.827	4.678	5	40	FJBB	
O=[N+]([O-])c1cccc(COc2ncnc3scc(-c4ccccc4)c23)c1	7002043	DJCALUVMWRTWOQ-UHFFFAOYSA-N	363.398	4.846	5	40	FJBB	
COc1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	408994837	JUTSLLPDDJSDEE-LGMIBIRUSA-N	350.418	4.900	5	40	FJBB	
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCCC2	7706002	RXLFGZXKNCUILX-GFCCVEGCSA-N	358.825	4.618	5	40	FJBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccnc2)cc1/C=C/c1cccnc1	8627774	JXNZSYXHHWKUQG-KQQUZDAGSA-N	374.356	4.634	5	40	FJBB	
Cc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1[N+](=O)[O-]	12820514	ZRJVCHJMUSJUJR-UHFFFAOYSA-N	368.389	4.587	5	40	FJBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)c1cc2ccccc2o1	40095058	VRHQZSBWFIKDPI-GFCCVEGCSA-N	369.377	4.575	5	40	FJBB	
COc1ccc(NC(=S)Nc2cc3cccnc3c3ncccc23)cc1	408977122	VITXHUIVBDHJNA-UHFFFAOYSA-N	360.442	4.601	5	40	FJBB	
O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)c([N+](=O)[O-])c1	942110	JBFPOALWXREAMH-UHFFFAOYSA-N	359.794	4.624	5	40	FJBB	
CC[N+](C)(CC)CCCOC(=O)c1ccccc1Oc1ccc(C)cc1	1726492	VFOWFEZLEDUHBZ-UHFFFAOYSA-N	356.486	4.821	5	40	FJBB	
Cc1occc1-c1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1	7466819	HSADYKRRUHMMAE-UHFFFAOYSA-N	371.296	4.716	5	40	FJBB	
O=C(N[C@@H]1CCOc2ccccc21)c1cc2ccccc2c2cccnc12	40122812	CPHDQUFPWFGDLT-HXUWFJFHSA-N	354.409	4.642	5	40	FJBB	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C1CCCCC1	58030035	WZDOJJMRUAJVPV-KSSFIOAISA-N	362.495	4.647	5	40	FJBB	
Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)cccc1-c1nc2ccccc2o1	830435	AVEGQSNFTXEMKK-UHFFFAOYSA-N	363.329	4.557	5	40	FJBB	
C[C@@H]([C@H](O)c1ccc2cc(Br)c3ccccc3c2c1)N(C)C	1676783	UNLWTAFIHVOCIF-BUXKBTBVSA-N	358.279	4.739	5	40	FJBB	
CC(=O)O[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1	5481152	ZHNIXXNROSSAPL-HNNXBMFYSA-N	360.416	4.559	5	40	FJBB	
O=C(C[C@H](SCc1ccco1)c1cccc([N+](=O)[O-])c1)c1cccnc1	3276803	HAAQRJYXHJAWHP-IBGZPJMESA-N	368.414	4.830	5	40	FJBB	
O=[N+]([O-])c1cccc(-c2c[nH]c(=S)n2-c2ccc(OC(F)F)cc2)c1	26423058	FPBVXZRKRBMNNT-UHFFFAOYSA-N	363.345	4.711	5	40	FJBB	
Cc1sc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1[N+](=O)[O-]	40107097	AHQALVOXLWAYNY-UHFFFAOYSA-N	373.365	4.543	5	40	FJBB	
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1[N+](=O)[O-]	6169892	POPAEGQWRXKOBC-VOTSOKGWSA-N	367.188	4.562	5	40	FJBB	
O=[N+]([O-])c1cc2c(c(CSCc3ccc(Cl)cc3)c1)OCOC2	16049515	ZJPDBQLWYGZDAE-UHFFFAOYSA-N	351.811	4.548	5	40	FJBB	
Cc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1C	223398685	GCJSNAMKANJMBB-MRXNPFEDSA-N	372.490	4.631	5	40	FJBB	
O=C(Nc1nc2c(F)cccc2s1)c1cc2cc([N+](=O)[O-])ccc2s1	2723807	PFOSFSBZNDIWIC-UHFFFAOYSA-N	373.390	4.811	5	40	FJBB	
Cc1ccc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1	5942441	RDXQOSJWFNYPCY-UHFFFAOYSA-N	358.297	4.981	5	40	FJBB	
COc1cc([N+](=O)[O-])cc2sc(Nc3nc4ccccc4s3)nc12	57352469	GUTFBBQBXAPSSS-UHFFFAOYSA-N	358.404	4.566	5	40	FJBB	
O=[N+]([O-])c1cccc(NCc2ccccc2OCc2ccc(F)cc2)c1	408554396	DQGZKIZXIKRDCR-UHFFFAOYSA-N	352.365	4.925	5	40	FJBB	
CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])c(C)c1	6243408	NWTDXHFYKJGPEA-LBPRGKRZSA-N	371.462	4.544	5	40	FJBB	
O=[N+]([O-])c1ccc(-c2nnc(COc3cc(Cl)ccc3Cl)o2)cc1	7039834	OUHHYGQXKLTKPC-UHFFFAOYSA-N	366.160	4.531	5	40	FJBB	
CC(C)(C)C(=O)COc1cccc2c1ccc1c3c(c(=O)oc12)CCCC3	11865517	KMPXEQOMCSTXSF-UHFFFAOYSA-N	364.441	4.819	5	40	FJBB	
CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2[N+](=O)[O-])N3)C1	4545406	JVHXOBHKMHBLBZ-HWPZZCPQSA-N	357.435	4.600	5	40	FJBB	
O=C(Nc1ccc(-c2nccs2)cc1)c1cc([N+](=O)[O-])ccc1Cl	12883774	VFLATPBTDFCTKU-UHFFFAOYSA-N	359.794	4.624	5	40	FJBB	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1	408994141	GLWVAEUTHZXTHH-MELFWRNSSA-N	365.389	4.800	5	40	FJBB	
O=C(Nc1ccccc1OC(F)F)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	6936802	LMBJWLLDTPIKOK-UHFFFAOYSA-N	374.299	4.709	5	40	FJBB	
CCC1(CC)O[C@@H]2c3cc([N+](=O)[O-])ccc3O[C@H](C)N2c2ccccc21	27522172	VCQQTGZTHRRFRJ-BFUOFWGJSA-N	354.406	4.884	5	40	FJBB	
O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	39764430	BOUMWHSVNXPMIM-UHFFFAOYSA-N	360.728	4.900	5	40	FJBB	
Cc1cccc2c3nc4ccccc4nc3n(CC(=O)OCCC(C)C)c12	2409459	PBFNNMBMLJMWMU-UHFFFAOYSA-N	361.445	4.635	5	40	FJBB	
O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)N1CCCCCC1	408906196	AUYWPEFHZCGYES-CAPFRKAQSA-N	350.418	4.538	5	40	FJBB	
Cc1ccc(NC(=O)COc2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(C)c1	1424027	LDIXNSWKEVLJCK-UHFFFAOYSA-N	369.204	4.536	5	40	FJBB	
Cc1noc(/C=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c1[N+](=O)[O-]	6825010	DUSORMOEDFGTJX-QPJJXVBHSA-N	374.736	4.673	5	40	FJBB	
CC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2	223015670	MDTBFKXETPBLOB-LJQANCHMSA-N	352.434	4.663	5	40	FJBB	
Cc1c2cc[n+](CCN3CCCCC3)cc2c(C)c2c1[nH]c1ccc(O)cc12	1570312	FYCLDNIGWUYSFQ-UHFFFAOYSA-O	374.508	4.570	5	40	FJBB	in-vitro
O=[N+]([O-])c1ccc(-c2nnc(CSc3nc4ccccc4s3)o2)cc1	5629100	LYEKHLODHXANDC-UHFFFAOYSA-N	370.415	4.547	5	40	FJBB	
Cc1ccc(S(=O)(=O)Nc2cc(C)nc3c2ccc2ccccc23)cc1	40384461	DZGJEUBSPIZACP-UHFFFAOYSA-N	362.454	4.806	5	40	FJBB	
O=C(OCc1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])ccc1Cl	3245817	DTWZPWIWTUKJKH-UHFFFAOYSA-N	360.580	4.912	5	40	FJBB	
CCCc1noc(-c2ccc(NCc3ccc(C)cc3)c([N+](=O)[O-])c2)n1	8587144	JSDWHMRWKBYZFZ-UHFFFAOYSA-N	352.394	4.518	5	40	FJBB	
COc1ccc2oc(C)c(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2c1	41156427	ZWUYFJDSSNXQNT-UHFFFAOYSA-N	360.753	4.564	5	40	FJBB	
C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2cccc([N+](=O)[O-])c2)N3)C1	4571455	HVYBXXQTRHGROY-GIPXDSIXSA-N	369.446	4.551	5	40	FJBB	
Cc1ccc(Nc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)c(C)c1	5003740	QCEGDHKFSLHNLV-UHFFFAOYSA-N	363.421	4.822	5	40	FJBB	
Cc1cc2sc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)nc2cc1Cl	6826119	CFBYFJHQEOCMHW-UHFFFAOYSA-N	361.810	4.727	5	40	FJBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1	21596012	UQUDIKPIVOJPBG-FMIVXFBMSA-N	364.357	4.515	5	40	FJBB	
CC(C)C[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1	22518971	RYUYPDFDSANEML-LJQANCHMSA-N	372.490	4.732	5	40	FJBB	
Cc1cc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)ccc1[N+](=O)[O-]	9064402	GGIMLZAITVMUBR-OAHLLOKOSA-N	353.422	4.534	5	40	FJBB	
C[C@H]1Cc2ccccc2N1C(=S)Nc1cc2cccnc2c2ncccc12	409319873	NAPZMHDKNCEHRD-AWEZNQCLSA-N	370.481	4.931	5	40	FJBB	
O=C(O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1	408992895	UCDVXHRBYLVPRJ-QGCVXUCCSA-N	364.401	4.590	5	40	FJBB	
Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1[N+](=O)[O-]	5541202	PVFJOBKUOUXEOT-UHFFFAOYSA-N	358.703	4.828	5	40	FJBB	
COc1cccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1	408625845	YITMMSIARSEFKK-UHFFFAOYSA-N	372.764	4.769	5	40	FJBB	
C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc12)c1cccc(C(F)(F)F)c1	586980879	VRCODIMLMQYQKL-QMMMGPOBSA-N	368.340	4.791	5	40	FJBB	
CC1CCN(c2ccc(C(=O)NC3CCCCCCC3)cc2[N+](=O)[O-])CC1	5931060	NEHXIGJNGQUQJF-UHFFFAOYSA-N	373.497	4.674	5	40	FJBB	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1c2ccccc2Oc2ccccc21	994538	NZKSKIPSAUFQQW-UHFFFAOYSA-N	364.332	4.610	5	40	FJBB	
O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc2c3c(cccc13)CC2	4078812	NDFZBNFIEIHIBO-JXMROGBWSA-N	350.399	4.560	5	40	FJBB	
Cc1cc(C)cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1	7641888	LQYOFNCAMIWLMN-UHFFFAOYSA-N	353.403	4.587	5	40	FJBB	
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl	13008558	PFRUJACDSXJJEU-ZDUSSCGKSA-N	358.825	4.689	5	40	FJBB	
O=[N+]([O-])c1ccc2o/c(=N\c3ccccc3)c(Nc3ccccc3)nc2c1	104311864	OSQWYROEDCNOBF-XDOYNYLZSA-N	358.357	4.712	5	40	FJBB	
CCCCCOC(=O)Cn1c2nc3ccccc3nc2c2cccc(C)c21	2397863	YPVMPIYKARFZIZ-UHFFFAOYSA-N	361.445	4.780	5	40	FJBB	
COc1ccccc1Nc1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1	3235103	QGELJZMVXYXVAR-UHFFFAOYSA-N	372.384	4.957	5	40	FJBB	
O=[N+]([O-])c1ccc2nc(Nc3nc4ccccc4nc3Cl)sc2c1	16545152	WZDMLCBCNNXRAV-UHFFFAOYSA-N	357.782	4.545	5	40	FJBB	
COc1ccc(NC(=S)Nc2ccc3nc4ccccc4nc3c2)cc1	408975407	JOJQPIOZXZKGBO-UHFFFAOYSA-N	360.442	4.601	5	40	FJBB	
C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccccc2[N+](=O)[O-])N3)C1	4571564	YHFZPSCXTCGHEF-CHWGLKMVSA-N	369.446	4.551	5	40	FJBB	
CC(=O)Oc1cc2oc3cc(=O)c4ccccc4c-3nc2c2ccccc12	4039886	JTOGFGQBJKYLHR-UHFFFAOYSA-N	355.349	4.525	5	40	FJBB	biogenic
C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2S1	12857971	KAKMAANZEABWER-LLVKDONJSA-N	362.838	4.779	5	40	FJBB	
Cc1ccc(S(=O)(=O)Nc2ccnc3c2ccc2ccccc23)c(C)c1	40384347	WGLWFTCPGYOCFH-UHFFFAOYSA-N	362.454	4.806	5	40	FJBB	
Cc1ccccc1N1COc2c(cc3c(oc(=O)c4ccccc43)c2C)C1	2120872	SUCISZZCVBUSPG-UHFFFAOYSA-N	357.409	4.920	5	40	FJBB	biogenic
CCN(CC)CCCNc1ccc(C)c2sc3ccccc3c(=O)c12	4367238	PCWHSKRBUDSYGJ-UHFFFAOYSA-N	354.519	4.867	5	40	FJBB	
NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1	8436369	OEOCYHNUFOHOMM-UHFFFAOYSA-N	369.380	4.576	5	40	FJBB	
O=[N+]([O-])c1ccccc1C1N(Cc2ccccc2)CCN1Cc1ccccc1	19323947	FJXQMIZJAJKAFN-UHFFFAOYSA-N	373.456	4.611	5	40	FJBB	
Cc1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1	408975707	LUSHFKITSZJUFC-UHFFFAOYSA-N	352.397	4.825	5	40	FJBB	
CCN(CC)CCCNc1cc(OC)cc2nc3cc(Cl)ccc3nc12	4522509	PTKKROSDPICUMQ-UHFFFAOYSA-N	372.900	4.589	5	40	FJBB	
CCCCN(CCCC)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	5503441	ZKRCWIQZJGSRLP-UHFFFAOYSA-N	361.486	4.628	5	40	FJBB	
O=[N+]([O-])c1cc2c(cc1/C=C\c1ccccc1)[C@H](O)[C@H](c1ccccc1)N2	245239430	ITOQIWZOAQFVLF-POJYLLKHSA-N	358.397	4.965	5	40	FJBB	
O=[N+]([O-])c1cc2c(cc1C=Cc1ccccc1)[C@H](O)[C@H](c1ccccc1)N2	2049239196	ITOQIWZOAQFVLF-VXKWHMMOSA-N	358.397	4.965	5	40	FJBB	
Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)c(NC3CCCCC3)n2c1	13564914	GVFAVXZTDKXHJS-UHFFFAOYSA-N	350.422	4.963	5	40	FJBB	
C[C@@H]1CCCCN1c1cc(NC(=O)c2ccccc2)c(Cl)cc1[N+](=O)[O-]	72229104	ZNVQRAWEIJKQBU-CYBMUJFWSA-N	373.840	4.879	5	40	FJBB	
CCc1ccc(C(=O)Nc2cc(N3CCCC3)c([N+](=O)[O-])cc2Cl)cc1	72229137	CGMVFIMIRPPZAK-UHFFFAOYSA-N	373.840	4.663	5	40	FJBB	
O=C(O)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21	408999606	RMSRNYLKCTVUFC-JEOQOABZSA-N	364.401	4.590	5	40	FJBB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	409334015	GPYHEYPIPXDYRX-ROILNYFKSA-N	365.389	4.800	5	40	FJBB	
Cc1cc(C(=O)Nc2ccc(Br)cc2Cl)ccc1[N+](=O)[O-]	7748383	WIBZMWMXNPYNPR-UHFFFAOYSA-N	369.602	4.571	5	40	FJBB	
Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)O2	217872816	SLKNYAQANSQPFX-OAHLLOKOSA-N	374.824	4.589	5	40	FJBB	
O=C(Nc1cc(Cl)cc(Cl)c1)C1(c2ccc([N+](=O)[O-])cc2)CC1	225991117	ICRHNWXKBBQAAP-UHFFFAOYSA-N	351.189	4.572	5	40	FJBB	
CN(Cc1ccccc1)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	408907456	OLKOWAUENAVKHB-CJLVFECKSA-N	372.424	4.794	5	40	FJBB	
O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc([N+](=O)[O-])cc1	6775643	SWLLVGQITJMIQD-UHFFFAOYSA-N	359.341	4.655	5	40	FJBB	
C[C@@H](c1cc2ccccc2o1)N(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-]	32754290	FYAXVFLSLVROOL-GETOMWPZSA-N	350.374	4.574	5	40	FJBB	
Cc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1	3451141	DXIMVUGHNXWFKB-UHFFFAOYSA-N	373.821	4.932	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2noc(-c3ccccc3)c2c1	5034732	ZXDBJCDHXZDMPV-UHFFFAOYSA-N	359.341	4.655	5	40	FJBB	
Cc1cc(=O)c2cc3ccc4c5[nH]c(C)cc(=O)c5cc5ccc(c2[nH]1)c3c54	16940446	PXGNNMKMMSGLNY-UHFFFAOYSA-N	364.404	4.884	5	40	FJBB	
CCOCc1cc(CC)sc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2275817	WGGMQFSHXKJVJL-UHFFFAOYSA-N	368.436	4.815	5	40	FJBB	
O=C(Oc1cccc2cccnc12)c1cccc2nc3ccccc3nc12	4814873	JFNVCLRLWLRRKV-UHFFFAOYSA-N	351.365	4.550	5	40	FJBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)C1[C@H]2CCC[C@@H]1C2c1ccccc1	13590657	SLBAQKDVVGCPQK-FWYSVENZSA-N	350.418	4.672	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1ccsc1	58139890	QNMPXFRJYYJNBN-AWEZNQCLSA-N	351.815	4.679	5	40	FJBB	
COc1ccc(NC(=O)c2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1	408723129	ZMTTWIQLFZNQPG-UHFFFAOYSA-N	368.396	4.525	5	40	FJBB	
COc1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	408994836	JUTSLLPDDJSDEE-AQJGMREQSA-N	350.418	4.900	5	40	FJBB	
Cc1ccc(C)c(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)c1	1510200	IZOIQGIAPVGVJA-UHFFFAOYSA-N	353.403	4.587	5	40	FJBB	
CCCCOc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	3030655	GLCKJAYDMGYYPV-UHFFFAOYSA-N	355.419	4.959	5	40	FJBB	
C[C@H](c1cc2ccccc2o1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1	12986663	HRAHIDOUGZOOCK-CYBMUJFWSA-N	370.430	4.653	5	40	FJBB	
COc1cc(C)c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1C(C)C	223263579	GLYBILLTSQVSGV-CQSZACIVSA-N	356.422	4.526	5	40	FJBB	
Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(C)c1	5863810	NCGNKSSGLJICLN-UHFFFAOYSA-N	367.449	4.763	5	40	FJBB	
O=C(CSc1ccccc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	19929521	IZFPOGMTCJIYMS-UHFFFAOYSA-N	357.218	4.632	5	40	FJBB	
O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2	3885081	QPEPMDUUYSZMDB-WYMLVPIESA-N	360.369	4.718	5	40	FJBB	
O=C(Nc1nc(-c2ccccc2)cs1)c1cc(Cl)ccc1[N+](=O)[O-]	1518583	QAMCVXQEJIJINK-UHFFFAOYSA-N	359.794	4.624	5	40	FJBB	
O=[N+]([O-])c1cc2c(cc1CNc1ccc(C3CCCCC3)cc1)OCO2	1000126	QDYOPVDEUGNELW-UHFFFAOYSA-N	354.406	4.983	5	40	FJBB	
Cc1ccc(F)cc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1	6249527	YBHQBSZWLQEBCB-CYBMUJFWSA-N	371.412	4.531	5	40	FJBB	
Clc1ccc2c(c1)c1nc3ccccc3nc1n2CCC1OCCCO1	9419709	XZFJIPALIBCTHV-UHFFFAOYSA-N	367.836	4.544	5	40	FJBB	
CCc1ccccc1NC(=O)c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1	5034575	UKMNYTQXHRXENQ-UHFFFAOYSA-N	366.373	4.678	5	40	FJBB	
Cc1ccc(C)c(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1	6028034	YEPAJTIQCYNGOF-UHFFFAOYSA-N	373.459	4.552	5	40	FJBB	
CN(c1ccccc1)c1ccc(CNc2ncccc2[N+](=O)[O-])cc1F	83869642	JZZMSFPNLXXEOY-UHFFFAOYSA-N	352.369	4.509	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCCC[C@@]21c1ccccc1	84525236	GVICDQOKORSRKS-OXJNMPFZSA-N	351.406	4.528	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F	610162380	YMGGUMHMKFMHGJ-ZDUSSCGKSA-N	373.718	4.673	5	40	FJBB	
CCOc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1Br	226237681	FTFDLCHEZOSONZ-UHFFFAOYSA-N	363.167	4.564	5	40	FJBB	
O=[N+]([O-])c1ccc(Sc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1	2187353	MLGXXVKKYOGKSS-UHFFFAOYSA-N	359.407	4.645	5	40	FJBB	
C[C@@H]1CCc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2C1	4079236	ZORCZIXAOGISJQ-SECBINFHSA-N	373.459	4.643	5	40	FJBB	
O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccccc1[N+](=O)[O-]	4070583	ZANLKDFNJPMPMW-UHFFFAOYSA-N	373.821	4.548	5	40	FJBB	
O=[N+]([O-])c1cccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nc3ccccc32)c1	13234052	OSMPAFWJPRRTKE-UHFFFAOYSA-N	374.356	4.568	5	40	FJBB	
Cc1c(C(=O)N2c3ccccc3CCc3ccccc32)cccc1[N+](=O)[O-]	1304000	WJYZBOXWFAOAJM-UHFFFAOYSA-N	358.397	4.980	5	40	FJBB	
O=C1OC(c2cccc3ccccc23)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-]	4696727	XEBNWLHMSAGHMD-JXLMVQBASA-N	370.364	4.649	5	40	FJBB	
CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	222918057	VFVAWKAWQARFEP-SFHVURJKSA-N	356.422	4.688	5	40	FJBB	
O=c1cc(COc2ccc(-c3nnco3)cc2)c2c(ccc3ccccc32)o1	7433522	HYEKKGAOVGDDLS-UHFFFAOYSA-N	370.364	4.575	5	40	FJBB	
Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1	97165906	LSDDZNWQSYWMDD-UHFFFAOYSA-N	364.351	4.520	5	40	FJBB	
Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(Cl)c1	408622756	RICZRFGJQYRWSU-UHFFFAOYSA-N	373.821	4.932	5	40	FJBB	
CC(C)Cc1nc2sc3c(ncn4c(=S)[nH]nc34)c2c2c1CCCC2	1245427	ONPQAIBSYBRXLP-UHFFFAOYSA-N	369.519	4.627	5	40	FJBB	
O=[N+]([O-])c1cc(-c2csc(Cc3cn4ccccc4n3)n2)ccc1Cl	12544728	LJRUJGJSSABMME-UHFFFAOYSA-N	370.821	4.610	5	40	FJBB	
CCSc1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1	30862547	VVWDJENNLGGETK-UHFFFAOYSA-N	362.476	4.579	5	40	FJBB	
CN(C)c1ccc(NC(=S)Nc2cc3cccnc3c3cccnc23)cc1	408974230	DMPOZENAUJHGHK-UHFFFAOYSA-N	373.485	4.658	5	40	FJBB	
Cc1cc(C(=O)Oc2ccc(Br)cc2Cl)ccc1[N+](=O)[O-]	5937176	HWSGJPLTNIIYFK-UHFFFAOYSA-N	370.586	4.538	5	40	FJBB	
Cc1c(NC(=O)CCc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-]	225371647	UYMRDUDLVOGTMH-UHFFFAOYSA-N	353.205	4.781	5	40	FJBB	
O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2cccc(F)c2)o1	846031	PTZVHUBPLABEOB-UHFFFAOYSA-N	358.328	4.802	5	40	FJBB	
O=[N+]([O-])c1ccc(NCc2ccc(OCc3cccc(F)c3)cc2)cc1	408608075	MPANHGLAOVAZAC-UHFFFAOYSA-N	352.365	4.925	5	40	FJBB	
COc1cc(C)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(C)C	223263442	YDFXPOJZKRCIPG-CQSZACIVSA-N	356.422	4.526	5	40	FJBB	
O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccccc3F)cc2)cc1	408606639	JLEDTGZVWJHIEL-UHFFFAOYSA-N	352.365	4.925	5	40	FJBB	
COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccccc1Cl	5444420	NSFKSJPWMKRTFO-UHFFFAOYSA-N	363.804	4.697	5	40	FJBB	
CCOc1ccccc1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12	5630728	MLAAUJUDDYHHPB-UHFFFAOYSA-N	374.392	4.702	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1nc2ccccc2s1	33040298	DKIQENBGYJONIZ-OAHLLOKOSA-N	368.418	4.574	5	40	FJBB	
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1	205872985	DWBXRYCYAMPRJI-YYCIOMMLSA-N	365.389	4.800	5	40	FJBB	
Cc1ccc(C)c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1	5019233	QOUJUMSKKURYFX-UHFFFAOYSA-N	350.827	4.596	5	40	FJBB	
CC(=O)c1ccc(NCc2csc(-c3ccccc3)n2)c([N+](=O)[O-])c1	12728209	UZEVJRNLWIQFKU-UHFFFAOYSA-N	353.403	4.533	5	40	FJBB	
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CC=C(c2ccccc2)CC1	12761466	KEROGPRHHTVTKA-VQHVLOKHSA-N	368.820	4.577	5	40	FJBB	
COc1cc2ccccc2cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	1517853	XGLCHZIMRMGWQP-UHFFFAOYSA-N	356.765	4.662	5	40	FJBB	
CSc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-]	3553756	ZYMNOIWATKEIHX-UHFFFAOYSA-N	371.443	4.693	5	40	FJBB	
COc1ccccc1-n1c(SCC(C)C)nc2cc([N+](=O)[O-])ccc21	12561543	XZGTUUXRSIMILR-UHFFFAOYSA-N	357.435	4.690	5	40	FJBB	
Cc1c(O[C@@H](C)C(=O)c2ccccc2)ccc2c1oc(=O)c1ccccc12	639073	XNBDIPIFVFANTA-HNNXBMFYSA-N	358.393	4.905	5	40	FJBB	biogenic
O=c1oc2c3c(ccc2c2ccccc12)OCN(c1ccc(Cl)cc1)C3	2120532	MWLVMQHAEFMGFS-UHFFFAOYSA-N	363.800	4.956	5	40	FJBB	biogenic
Cc1nc(Oc2ccc([N+](=O)[O-])cc2)c2c3c(sc2n1)C[C@H](C)CC3	3309667	SGUABDIVSBAORC-SNVBAGLBSA-N	355.419	4.825	5	40	FJBB	
CCCCc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	4122591	CWGAFRCSMQOOOO-UHFFFAOYSA-N	367.449	4.790	5	40	FJBB	
CCc1ccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)oc2C)cc1	7813361	DGEIJLLIQNUDJC-UHFFFAOYSA-N	350.374	4.978	5	40	FJBB	
CC[N+](CC)(CC)CCN[C@H](c1ccccc1)C(Cl)(Cl)Cl	5885904	OFJMIMYUYBJTIS-OAHLLOKOSA-N	352.757	4.564	5	40	FJBB	
C[C@H]1Cc2ccccc2N1C(=O)Nc1cc2cccnc2c2ncccc12	6455837	MFRRSXAUMUJGQW-AWEZNQCLSA-N	354.413	4.766	5	40	FJBB	
CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1	7073054	QRJUIALPHDTDTD-GFCCVEGCSA-N	362.813	4.779	5	40	FJBB	
O=C(CSc1nc2cc([N+](=O)[O-])ccc2s1)c1ccc(Cl)s1	12173057	PAFRWZPGXBGAOI-UHFFFAOYSA-N	370.864	4.894	5	40	FJBB	
CCCCCC[C@@H](C)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21	12528018	OJTWJMGMYVJJGR-QGZVFWFLSA-N	364.489	4.630	5	40	FJBB	
CC[N+]1(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C[C@@H](C)C[C@H](C)C1	36631445	RQMGHMQKNALBEM-JTAQYXEDSA-N	368.541	4.606	5	40	FJBB	
O=C(NCC1=CCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	223424646	GUNWTNQVLCTFCC-RCCKNPSSSA-N	362.429	4.752	5	40	FJBB	
O=C(NC(c1ccccc1)c1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CC1	225991864	LOFFGKFTKABAJH-UHFFFAOYSA-N	372.424	4.532	5	40	FJBB	
COc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1OC	1448951	DFQCKGBKZMANFY-UHFFFAOYSA-N	369.424	4.803	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl	5618184	YSKGZRWTIBUIOX-QPJJXVBHSA-N	351.189	4.862	5	40	FJBB	
O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1cccc(Cl)c1	6660501	NZHJAABSEUWXRG-UHFFFAOYSA-N	367.763	4.991	5	40	FJBB	
O=C(Nc1cccc2cccnc12)C1(c2ccc([N+](=O)[O-])cc2)CCCC1	9476867	YOECAOOGWKJQHM-UHFFFAOYSA-N	361.401	4.594	5	40	FJBB	
Cc1csc(-c2ccc(Oc3nc4sccn4c3[N+](=O)[O-])cc2)n1	24829788	FCTOSSGCHDWNNB-UHFFFAOYSA-N	358.404	4.528	5	40	FJBB	
CC(C)c1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1	1304161	APVFQZOUVISHDM-SXGWCWSVSA-N	370.792	4.716	5	40	FJBB	
Cc1noc(/C=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c1[N+](=O)[O-]	408541389	CMUYPNQWNDWDEN-DAXSKMNVSA-N	374.736	4.673	5	40	FJBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccnc2)cc1/C=C\c1cccnc1	8627772	JXNZSYXHHWKUQG-CGXWXWIYSA-N	374.356	4.634	5	40	FJBB	
O=C(Nc1cc2cccnc2c2ncccc12)N1CC[C@H](c2ccccc2)C1	6496158	BKGBIIRVLWDYSG-SFHVURJKSA-N	368.440	4.804	5	40	FJBB	
CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1	7080085	QRJUIALPHDTDTD-LBPRGKRZSA-N	362.813	4.779	5	40	FJBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCC2)c(Cl)c1	4688532	QKUDTNVTLRRLJW-RMKNXTFCSA-N	371.824	4.500	5	40	FJBB	
O=C(Nc1ccc2ccccc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	6616554	LJSIELRAFGHTEZ-UHFFFAOYSA-N	361.401	4.601	5	40	FJBB	
CC(=O)c1ccc(N[C@@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1	40060585	GQKKRJZSJOMNOH-JTQLQIEISA-N	350.321	4.572	5	40	FJBB	
Cc1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1C	72229505	IKCLWFZBLXVDHY-UHFFFAOYSA-N	369.204	4.536	5	40	FJBB	
COc1cc2c(cc1OC)C[N@+](C)(Cc1ccc(Cl)cc1Cl)CC2	247695327	ZGQCVMOFKRXPLJ-QFIPXVFZSA-N	367.296	4.714	5	40	FJBB	
COc1cc2oc3ccccc3c(=O)c2cc1CSc1ccccc1N	3954566	VMGAYMORJUGJIC-UHFFFAOYSA-N	363.438	4.829	5	40	FJBB	in-vitro
O=C(Nc1nc(-c2cccs2)cs1)c1cc(Cl)ccc1[N+](=O)[O-]	4072648	ABRDBTXKXRQGPN-UHFFFAOYSA-N	365.823	4.686	5	40	FJBB	
COc1ccc(C(=O)Cn2c3ccccc3c3nc4ccccc4nc32)cc1	938885	DFHXKIVXGZQUKF-UHFFFAOYSA-N	367.408	4.629	5	40	FJBB	
Cc1cc(NC(=S)SCc2ccc(F)cc2)c([N+](=O)[O-])cc1C	6484361	FYDYCTIWSSSURB-UHFFFAOYSA-N	350.440	4.981	5	40	FJBB	
O=C1c2ccccc2N[C@H](c2ccccc2[N+](=O)[O-])N1c1ccc(F)cc1	7889533	ZSRWAZYUXSFJCQ-IBGZPJMESA-N	363.348	4.505	5	40	FJBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(Nc2ccccc2)cc1	32904328	AZSFBDNETWQMKL-XNTDXEJSSA-N	359.385	4.990	5	40	FJBB	
Cc1ccc(C)c(S(=O)(=O)Nc2ccnc3c2ccc2ccccc23)c1	40384321	USYKVEWHOIDUPO-UHFFFAOYSA-N	362.454	4.806	5	40	FJBB	
C[C@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1	6416684	KYUPAQPDTNATGZ-QZSFGQKKSA-N	369.446	4.551	5	40	FJBB	
CC[C@H](C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	7079992	CWFRSQIRAINZRA-LBPRGKRZSA-N	362.813	4.779	5	40	FJBB	
COc1ccccc1Cn1c(C)c(C)c2c1ncn1c3ccccc3nc21	9059917	HSVHJOIVMHJKAN-UHFFFAOYSA-N	356.429	4.511	5	40	FJBB	
O=[N+]([O-])c1ccc(N[C@H](c2ccc3c(c2)CCC3)c2cccs2)nc1	13014482	ZULKXUCDOAQYEL-LJQANCHMSA-N	351.431	4.742	5	40	FJBB	
C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(F)cc1F	15813423	DWLRKDRPGRVBRC-VIFPVBQESA-N	362.357	4.579	5	40	FJBB	
Cc1nc([N+](=O)[O-])c(SCc2ccc(F)cc2)n1Cc1ccccc1	27246767	RKFZLDIUQYBPGY-UHFFFAOYSA-N	357.410	4.579	5	40	FJBB	
O=C(c1ccccc1)c1nc2ccccc2c(O)c1-c1ccc([N+](=O)[O-])cc1	4962582	ADUGYMFFEXEGIZ-UHFFFAOYSA-N	370.364	4.747	5	40	FJBB	
C[C@@H](C(=O)Nc1ccc2[nH]c3ccccc3c2c1)c1ccc([N+](=O)[O-])cc1	44781929	HEBOGRSWFPPLIN-CYBMUJFWSA-N	359.385	4.972	5	40	FJBB	
Cc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-]	14878160	FRGHHKZCEYJSOC-UHFFFAOYSA-N	362.385	4.658	5	40	FJBB	
COc1cc([N+](=O)[O-])cc2sc(Nc3nc4cc(C)cc(C)c4o3)nc12	57352699	RODJUHKLRQOGBS-UHFFFAOYSA-N	370.390	4.715	5	40	FJBB	
O=C(Nc1ccc(-c2cnco2)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1	2570436	VSOXXAAXJFLIHC-UHFFFAOYSA-N	358.741	4.547	5	40	FJBB	
Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	3634733	CTJGKPUXTOVHIK-HXUWFJFHSA-N	359.385	4.674	5	40	FJBB	
CC(=O)c1ccc(Oc2ccc(Oc3ccccn3)cc2)c([N+](=O)[O-])c1	24716470	GMAQCYMHKHUBEJ-UHFFFAOYSA-N	350.330	4.777	5	40	FJBB	
C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	408629334	XLFFTQDIJVZJFP-CYBMUJFWSA-N	373.840	4.879	5	40	FJBB	
Cc1cc(C)c(NC(=O)Cc2coc3cc(C)cc(C)c23)c([N+](=O)[O-])c1	15230866	JJNSTJKMWYHHTO-UHFFFAOYSA-N	352.390	4.756	5	40	FJBB	
CC(=O)Nc1cc([N+](=O)[O-])cc(C)c1OCc1ccc(Cl)cc1Cl	575444395	LQCPXHYPCBQWOX-UHFFFAOYSA-N	369.204	4.747	5	40	FJBB	
Cc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1	1505813	YSPITFYZJDJPNP-UHFFFAOYSA-N	373.368	4.964	5	40	FJBB	
Cc1ccc(-c2nnc(Cn3c4ccccc4c(=O)c4ccccc43)o2)cc1	5363657	NQDILEIZDATLJE-UHFFFAOYSA-N	367.408	4.561	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1	40913276	VOAKMJGDFLTSGK-CYBMUJFWSA-N	362.813	4.579	5	40	FJBB	
CCCN(Cc1ccccc1)C(=O)c1ccc2nc3ccccc3nc2c1	408976293	QKANLKAAGNACQM-UHFFFAOYSA-N	355.441	4.835	5	40	FJBB	
COc1ccc(OC)c(-c2cc(C(=O)O)c3cc4ccccc4cc3n2)c1	3954408	ZCLXWKXUYMPGDQ-UHFFFAOYSA-N	359.381	4.770	5	40	FJBB	in-vitro
O=[N+]([O-])c1ccc(N(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1	4365761	GHQHXJJEGUJPCW-UHFFFAOYSA-N	363.373	4.710	5	40	FJBB	
CCCOc1ccc(Br)cc1/C=C\c1onc(C)c1[N+](=O)[O-]	33744157	RHIANALFLYOQPZ-XQRVVYSFSA-N	367.199	4.613	5	40	FJBB	
COc1ccc(Cn2c(C)c(C)c3c2ncn2c4ccccc4nc32)cc1	9059781	FOOINIMYBOWHLX-UHFFFAOYSA-N	356.429	4.511	5	40	FJBB	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc([N+](=O)[O-])s1	31335631	VBLHJKJWVTTYMS-QMMMGPOBSA-N	359.234	4.796	5	40	FJBB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N+]1(Cc2ccccc2)CCCC1	41690147	QLVGGLZNWFXOKW-MSNJVRRCSA-N	374.589	4.636	5	40	FJBB	
COc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]	96505810	QWGHHGJGHDNSND-XVNBXDOJSA-N	367.188	4.562	5	40	FJBB	
CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc2c(c1)CCCC2	170555494	WSWKPXHIQCUMAH-IBGZPJMESA-N	352.434	4.663	5	40	FJBB	
COc1ccc([C@@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2c2ccccc2)cc1	226761209	SZQPBWPGPLDBDB-QFIPXVFZSA-N	373.412	4.959	5	40	FJBB	
O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2Br)cc1	2565530	VGJDYXRUTQCYSG-UHFFFAOYSA-N	373.000	4.912	5	40	FJBB	
COc1cc(C2SCCS2)ccc1OCc1ccc([N+](=O)[O-])cc1	5475164	YVUYPZWBOBWQJD-UHFFFAOYSA-N	363.460	4.661	5	40	FJBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nc(-c2ccccc2)n[nH]1	1047245	GQFPCGBVUBXVPE-UHFFFAOYSA-N	366.324	4.550	5	40	FJBB	
O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1ccccc1F	3238863	VMESSTVKRCROBF-UHFFFAOYSA-N	373.383	4.928	5	40	FJBB	
Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccc2)cc1	44899868	MIXCVVHIDKRIDH-OAQYLSRUSA-N	360.413	4.731	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F	610162379	YMGGUMHMKFMHGJ-CYBMUJFWSA-N	373.718	4.673	5	40	FJBB	
Cc1ccc(Nc2nc(Cl)nc(Nc3cccc([N+](=O)[O-])c3)n2)cc1C	869129	WNOFUOFYFZRMCL-UHFFFAOYSA-N	370.800	4.537	5	40	FJBB	
CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC	408556308	ITQFBAYMUXLTFF-UHFFFAOYSA-N	350.802	4.658	5	40	FJBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cc1ccccc1	3278974	XYMODRXLWGZODT-NTCAYCPXSA-N	358.397	4.838	5	40	FJBB	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N+]1(Cc2ccccc2)CCCC1	41690153	QLVGGLZNWFXOKW-CAUSLRQDSA-N	374.589	4.636	5	40	FJBB	
O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccccc3C(F)(F)F)no2)c1	89262480	DFYGNIXKCZOCMI-UHFFFAOYSA-N	369.686	4.984	5	40	FJBB	
C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2	222901027	BOFNCBRGQDMXCK-LBPRGKRZSA-N	358.825	4.618	5	40	FJBB	
O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc(Cl)cc1Cl	4487624	BIIWIXDJTHLCTF-UHFFFAOYSA-N	368.219	4.811	5	40	FJBB	
CC(=O)Nc1ccc(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1	24842001	AAACCHDDDYYDAJ-UHFFFAOYSA-N	353.403	4.652	5	40	FJBB	
Cc1ccccc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1	22517394	NASZWAQJEGRVET-OAQYLSRUSA-N	360.413	4.731	5	40	FJBB	
Cc1ccccc1-c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1	4589637	HRJHKFGISMPLEE-UHFFFAOYSA-N	373.368	4.964	5	40	FJBB	
Cc1c(CSc2nnc(-c3cccs3)n2C2CC2)cccc1[N+](=O)[O-]	40127723	JRMSNVLJVJRBHM-UHFFFAOYSA-N	372.475	4.850	5	40	FJBB	
O=[N+]([O-])c1ccc(NCCNc2cccc3ccccc23)c2ncccc12	69740614	CISXTSHXIWJKEK-UHFFFAOYSA-N	358.401	4.820	5	40	FJBB	
O=C(Nc1nc2ccc(Cl)cc2s1)c1cc([N+](=O)[O-])ccc1Cl	1514085	PILXLYYBQDOCLY-UHFFFAOYSA-N	368.201	4.764	5	40	FJBB	
CSc1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	8165420	OZEALFOTQPCUOX-UHFFFAOYSA-N	371.462	4.559	5	40	FJBB	
Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1[N+](=O)[O-]	8940957	UJMSVQOSYHCYOJ-UHFFFAOYSA-N	373.368	4.964	5	40	FJBB	
O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccc(F)cc2)no1	9431155	IMMJLKIODZFYNN-UHFFFAOYSA-N	358.328	4.802	5	40	FJBB	
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)O2	217872726	SLKNYAQANSQPFX-HNNXBMFYSA-N	374.824	4.589	5	40	FJBB	
Cc1cc(-c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)c2ccccc2n1	4698153	VPVLWOFOWLONFM-MDZDMXLPSA-N	358.357	4.672	5	40	FJBB	
Cc1ccc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)oc2c1	830433	MUCSRRIVBUVMNE-UHFFFAOYSA-N	363.329	4.557	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C2CCCCC2)cc1	408620594	HPBCUOLFXATSLA-UHFFFAOYSA-N	368.433	4.968	5	40	FJBB	
O=C(CCSc1ccccc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1	2630689	KFMPTKBAZYTQFX-UHFFFAOYSA-N	354.790	4.508	5	40	FJBB	
Cc1c(NC(=O)N(C)Cc2csc3ccccc23)cccc1[N+](=O)[O-]	45960125	GNLYXORWDMSNCI-UHFFFAOYSA-N	355.419	4.782	5	40	FJBB	
COCCN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O	409137835	WSICWNSUHSXFMD-CPNJWEJPSA-N	363.438	4.676	5	40	FJBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1ccccc1	2753432	FZBMVJQBKKHDQU-CCEZHUSRSA-N	372.424	4.837	5	40	FJBB	
CCOc1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1OC	6366857	JMWJVAOLTCLGSY-JXMROGBWSA-N	350.374	4.721	5	40	FJBB	
C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	225369783	WKORVQHJUALJMR-LBPRGKRZSA-N	374.824	4.533	5	40	FJBB	
O=C(NCc1ccco1)Nc1ccc2sc3nc4ccccc4nc3c2c1	409001685	QIPYKYRFYIJRTQ-UHFFFAOYSA-N	374.425	4.912	5	40	FJBB	
CC(C)Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1	409089680	ORHMBJCQMLGWNR-UHFFFAOYSA-N	368.462	4.802	5	40	FJBB	
O=C(Nc1ccccc1[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1	1443870	LSHAPSDOHJDEKN-ZDUSSCGKSA-N	351.189	4.508	5	40	FJBB	
O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccc(Cl)s1	4167576	OEZGYHNSPPTBOS-UHFFFAOYSA-N	371.852	4.747	5	40	FJBB	
Cc1ccc(Oc2nc(-c3cccs3)nc3ccccc23)c([N+](=O)[O-])n1	7779844	TWBBPKADPZWXRH-UHFFFAOYSA-N	364.386	4.762	5	40	FJBB	
O=C(c1ccccc1)c1c2ncn3c4ccccc4nc3c2c2ccccn12	31848382	FXCNUJDOOAWLFB-UHFFFAOYSA-N	362.392	4.519	5	40	FJBB	
C[C@@H](SCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1F	89904999	VUCJBNAMLVKMMK-SNVBAGLBSA-N	367.373	4.734	5	40	FJBB	
CC[C@H](C)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	5652872	GJQHQYSMOLQIPI-NSHDSACASA-N	368.842	4.563	5	40	FJBB	
O=[N+]([O-])c1ccc([C@@H]2[C@H]3C(c4ccccc4)=N[C@@H](c4ccccc4F)N32)cc1	19830917	UGEZQGGLUOBFLF-AEGADVIYSA-N	373.387	4.661	5	40	FJBB	
Cc1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nc2c1	830430	KUPHUXKMNIVHMQ-UHFFFAOYSA-N	363.329	4.557	5	40	FJBB	
COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1	7997712	ZHCPXGTVGKXXFG-UHFFFAOYSA-N	372.764	4.769	5	40	FJBB	
O=C(Nc1cc2cccnc2c2cccnc12)N1CC[C@H](c2ccccc2)C1	408976962	UCBPWMNWXSZFND-SFHVURJKSA-N	368.440	4.804	5	40	FJBB	
CN(C)c1ccc(NC(=S)Nc2ccc3nc4ccccc4nc3c2)cc1	6351401	ZOGJDWNTTWLTON-UHFFFAOYSA-N	373.485	4.658	5	40	FJBB	
O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc([N+](=O)[O-])cc1	10120058	XWLSRUVMJAZXJU-UHFFFAOYSA-N	373.368	4.579	5	40	FJBB	
O=[N+]([O-])c1ccc2oc(-c3ccc(Cl)c(Br)c3)nc2c1	226248481	BLLJRLUFXMSTFH-UHFFFAOYSA-N	353.559	4.819	5	40	FJBB	
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Cl)cc1Cl	887949	FEMYNUPAUPEOIP-UHFFFAOYSA-N	368.201	4.764	5	40	FJBB	
O=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCCC1	4117391	ABIYOALQIDSJNM-UHFFFAOYSA-N	358.825	4.860	5	40	FJBB	
O=[N+]([O-])c1cccc(NCc2ccccc2OCc2cccc(F)c2)c1	408554429	DXQDXRLDZWYOPG-UHFFFAOYSA-N	352.365	4.925	5	40	FJBB	
Cc1c(O[C@H](C)C(=O)c2ccccc2)ccc2c1oc(=O)c1ccccc12	639075	XNBDIPIFVFANTA-OAHLLOKOSA-N	358.393	4.905	5	40	FJBB	biogenic
Cc1c(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cccc1[N+](=O)[O-]	9064452	DUXLAWIJXVDJDZ-CQSZACIVSA-N	353.422	4.534	5	40	FJBB	
O=C(Oc1ccc(Br)c2ccccc12)c1ccc([N+](=O)[O-])cc1	670435	AMCCQEKNNYLJRU-UHFFFAOYSA-N	372.174	4.730	5	40	FJBB	
CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2	223014178	NIOJEPGAJHGJNK-BGVYSJOJSA-N	364.445	4.754	5	40	FJBB	
O=C1C(Nc2ccccc2)=C[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1	100518981	HKPGEBQMGUIXMA-NRFANRHFSA-N	371.396	4.679	5	40	FJBB	
CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	222991304	UTURLXVDEHAPFR-QGZVFWFLSA-N	362.813	4.661	5	40	FJBB	
COc1ccc(N(C)C(=S)Nc2cc3ncccc3c3cccnc23)cc1	408974859	HQZWRMDTAQUSHF-UHFFFAOYSA-N	374.469	4.625	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)c(Cl)c1	17076008	JLCGHEHHXBITHX-UHFFFAOYSA-N	370.590	4.655	5	40	FJBB	
Cc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1	97165896	OWRIUAMGRWCCJB-UHFFFAOYSA-N	364.351	4.520	5	40	FJBB	
Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc([N+](=O)[O-])c1)c1ccccn1	2502298	NNZAPAVDZSLJHE-NRFANRHFSA-N	358.401	4.981	5	40	FJBB	
CCOc1ccc2nc(S[C@@H](C[N+](=O)[O-])c3ccccc3)sc2c1	59489741	HSJCMSGHGCVWIP-INIZCTEOSA-N	360.460	4.805	5	40	FJBB	
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1	3431049	OSXVTLGRHDCKJB-SOFGYWHQSA-N	365.216	4.573	5	40	FJBB	
O=C(Nc1cccc2cccnc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	41091640	UWKCGWLFJKDAGY-UHFFFAOYSA-N	359.341	4.655	5	40	FJBB	
CCNc1cc(Nc2cccc(Cl)c2Cl)c([N+](=O)[O-])c2nonc12	5034996	BLPAVCTWUFNOKU-UHFFFAOYSA-N	368.180	4.613	5	40	FJBB	
O=c1cc(CSC(=S)N2CCCC2)c2c(ccc3ccccc32)o1	5287405	UUQYRINRZMDWNE-UHFFFAOYSA-N	355.484	4.560	5	40	FJBB	
Cc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1[N+](=O)[O-]	10289252	RGQKFAJQOXBQMH-SFHVURJKSA-N	370.405	4.623	5	40	FJBB	
Cc1[nH]c2ccccc2c1[C@H](Nc1ccccn1)c1cccc([N+](=O)[O-])c1	19901703	JYBSPTOJWABJNP-OAQYLSRUSA-N	358.401	4.981	5	40	FJBB	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(CSc2ccccc2)o1	28435708	FBFDQIPBPHXHBR-UHFFFAOYSA-N	372.377	4.872	5	40	FJBB	
C[C@H](SCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	3532193	TUJJDNZAPUDXHD-NSHDSACASA-N	350.827	4.509	5	40	FJBB	
Cc1ccc(C(=O)CN(C2=NCCCCC2)c2cccc([N+](=O)[O-])c2)cc1	8411436	HORAZIQRYZNBAI-UHFFFAOYSA-N	365.433	4.565	5	40	FJBB	
COc1cc([N+](=O)[O-])c2nc(Nc3nc4ccc(C)c(C)c4o3)sc2c1	57352590	NZSQLXOXBIONLR-UHFFFAOYSA-N	370.390	4.715	5	40	FJBB	
COc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccc(Cl)cc2[C@@H]2OCCC[C@H]12	8165897	XATCZYCSTBXTIU-UPRAQXHNSA-N	374.824	4.891	5	40	FJBB	
O=C(c1ccccc1)c1ccc2c(=O)n3c4ccccc4nc3c3cccc1c23	822664	OBVITYFPWSTYLF-UHFFFAOYSA-N	374.399	4.823	5	40	FJBB	
CCOP(=O)(OCC)C(F)(F)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1	256174222	FNXGJJRLYQJCQF-LBPRGKRZSA-N	371.704	4.559	5	40	FJBB	
CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1	57512671	QKROOWNXNGNGCX-UHFFFAOYSA-N	374.412	4.575	5	40	FJBB	
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(C(C)C)C3=O)o2)cc1[N+](=O)[O-]	409021368	DOUPTVJFFSVUOP-CXUHLZMHSA-N	372.402	4.608	5	40	FJBB	
O=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])c2)cc1	8383620	ATINZKZZRGJHDB-UHFFFAOYSA-N	365.301	4.745	5	40	FJBB	
O=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F	12649258	OLWJNZWVZJHWJC-UHFFFAOYSA-N	369.377	4.532	5	40	FJBB	
CC(C)(C)c1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2[nH]1	24758019	DNPSPDMFKJHKFF-UHFFFAOYSA-N	372.812	4.674	5	40	FJBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(OCc2ccccc2)cc1	2774481	ZAWTUHFCKYTEKN-NTEUORMPSA-N	374.396	4.826	5	40	FJBB	
Cc1cc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)ccc1[N+](=O)[O-]	9064401	GGIMLZAITVMUBR-HNNXBMFYSA-N	353.422	4.534	5	40	FJBB	
Cc1cccc(C2=N/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)O2)c1	41078053	FBVKCGZNTKOOPW-LDADJPATSA-N	374.352	4.508	5	40	FJBB	
CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])CC1	57313026	DHWRGJGNLJMHRR-UHFFFAOYSA-N	373.840	4.737	5	40	FJBB	
Cc1cc(N2CCC(c3nc4ccccc4s3)CC2)ccc1[N+](=O)[O-]	59373355	VKABTEHLCXPXTR-UHFFFAOYSA-N	353.447	4.897	5	40	FJBB	
Cc1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c(C)c1	72229504	XEYIFYDAIAYLRX-UHFFFAOYSA-N	369.204	4.536	5	40	FJBB	
CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C	223019049	FJUCHWURZQBCHO-KRWDZBQOSA-N	362.813	4.661	5	40	FJBB	
CCCCc1nc2sc3c(ncn4c(=S)[nH]nc34)c2c2c1CCCC2	2258726	ORWFYRROQYSIIA-UHFFFAOYSA-N	369.519	4.771	5	40	FJBB	
CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2	223014118	NIOJEPGAJHGJNK-QYFOZDBKSA-N	364.445	4.754	5	40	FJBB	
O=[N+]([O-])c1ccc(Oc2ccc(COc3ccccc3)cc2)c([N+](=O)[O-])c1	1311679	KMPCYPUUHFRTEJ-UHFFFAOYSA-N	366.329	4.874	5	40	FJBB	
Cc1cc(NC(=O)c2cccc(Cl)c2)nc2c1c(=O)oc1ccccc12	4108183	QDEOHWNCYMPRTI-UHFFFAOYSA-N	364.788	4.555	5	40	FJBB	
O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3cccc(OC(F)F)c3)no2)c1	89262489	DGZQTKRVOMSNQR-UHFFFAOYSA-N	367.695	4.567	5	40	FJBB	
CC(C)(C)OC(=O)Nc1cccc(COc2cc(F)ccc2[N+](=O)[O-])c1	95431102	PCRUIURDSWJBLD-UHFFFAOYSA-N	362.357	4.660	5	40	FJBB	
CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	408578797	AZPJKOJUWCKKCZ-UHFFFAOYSA-N	367.430	4.841	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)NC1c2ccccc2Oc2ccccc21	4783946	HMQLOLDZXMQLJE-UHFFFAOYSA-N	361.357	4.612	5	40	FJBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl	1986165	HSKHOSPONHQQGO-XVNBXDOJSA-N	367.188	4.562	5	40	FJBB	
CC(C)C[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1	22518976	RYUYPDFDSANEML-IBGZPJMESA-N	372.490	4.732	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1	95977158	FFTUUECSEQUJAN-LAUBAEHRSA-N	365.433	4.836	5	40	FJBB	
O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCc2ccccc21	12521598	VRHMWKALJJMZFR-UHFFFAOYSA-N	359.385	4.541	5	40	FJBB	
CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	30873160	BUZYPFASNGNTIF-MRXNPFEDSA-N	362.813	4.661	5	40	FJBB	
COc1cc(C(=O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])cc1OC	3850631	PLXCMUNPZQQSHD-UHFFFAOYSA-N	363.369	4.510	5	40	FJBB	biogenic
O=C(Nc1ccc(F)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl	21595879	SXPUKMFNYNALJC-UHFFFAOYSA-N	350.758	4.854	5	40	FJBB	
O=[N+]([O-])c1cnc(Oc2ccc3oc4ccccc4c3c2)nc1NC1CC1	40071366	GOYHKAXDVMGPRQ-UHFFFAOYSA-N	362.345	4.651	5	40	FJBB	
C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	225369749	WKORVQHJUALJMR-GFCCVEGCSA-N	374.824	4.533	5	40	FJBB	
Cc1nc(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c(C)s1	408581561	XXMAEZROLLQXIZ-UHFFFAOYSA-N	353.403	4.587	5	40	FJBB	
O=C(c1ccccc1)c1ccc(NCc2ccccc2F)c([N+](=O)[O-])c1	6831026	NXAXCFSUWDELBO-UHFFFAOYSA-N	350.349	4.577	5	40	FJBB	
CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	20450596	UKEOZRAIGAQDGA-OAHLLOKOSA-N	369.204	4.698	5	40	FJBB	
CCCc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	4368194	FQHJTZSZJYTGOA-UHFFFAOYSA-N	356.422	4.653	5	40	FJBB	
O=c1oc2c3c(ccc2c2ccccc12)OCN(c1cccc(Cl)c1)C3	2113698	OWJAJRJTEDMKIP-UHFFFAOYSA-N	363.800	4.956	5	40	FJBB	biogenic
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1C(F)(F)F	5329447	ZZQURNQBQILNFA-UHFFFAOYSA-N	359.691	4.911	5	40	FJBB	
Cc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1[N+](=O)[O-]	5960707	PQMBZUIKUBQVHF-UHFFFAOYSA-N	358.703	4.828	5	40	FJBB	
Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1[N+](=O)[O-]	14861880	CORZEMRCLPSWKF-UHFFFAOYSA-N	372.384	4.699	5	40	FJBB	
O=C(O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1	408992898	UCDVXHRBYLVPRJ-YJKZWKBDSA-N	364.401	4.590	5	40	FJBB	
COc1ccc2c(c1)CCCN2c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	59484687	DANZIJQNURCHAG-UHFFFAOYSA-N	352.312	4.707	5	40	FJBB	
CCCCOC(=O)c1cc(Cl)c(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1	70462593	YHWVIHDUNFYFEH-LBPRGKRZSA-N	354.834	4.584	5	40	FJBB	
COc1ccc2c(c1)c1nc3cc(C)c(C)cc3nc1n2Cc1ccncc1	13689296	ZUEWQOIUVNHFDW-UHFFFAOYSA-N	368.440	4.806	5	40	FJBB	
CC(=O)c1ccc(N[C@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1	40060587	GQKKRJZSJOMNOH-SNVBAGLBSA-N	350.321	4.572	5	40	FJBB	
O=C(Nc1ccc(F)cc1)c1ccc2[nH]c3nc4ccccc4nc3c2c1	408977318	WVWTUQWXSSWVJD-UHFFFAOYSA-N	356.360	4.656	5	40	FJBB	
O=[N+]([O-])[C@H](c1ccccc1)C(c1ccccc1)[C@@H](c1ccccc1)[N+](=O)[O-]	1577815	OLODMNOGGBANQB-NHCUHLMSSA-N	362.385	4.806	5	40	FJBB	
Cc1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1	4056785	UVVBPORMMRBDRI-SOFGYWHQSA-N	351.189	4.862	5	40	FJBB	
Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1	4699637	WKPPCCOOWJRCGB-UHFFFAOYSA-N	369.204	4.536	5	40	FJBB	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1	225765341	JIEKIXDMNMVAHI-HNNXBMFYSA-N	356.422	4.741	5	40	FJBB	
Cc1oc2c3c(ccc2c(=S)c1-c1ccc([N+](=O)[O-])cc1)OCCO3	2371274	HLSBJRXFIXRRMA-UHFFFAOYSA-N	355.371	4.817	5	40	FJBB	
O=C(Cn1c2ccc(F)cc2c2nc3ccccc3nc21)c1ccccc1	8993655	WRGZSLAKUAOQIC-UHFFFAOYSA-N	355.372	4.760	5	40	FJBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1	17076529	HWSWXBIYOHLAMQ-UHFFFAOYSA-N	373.840	4.735	5	40	FJBB	
C[C@H](O)c1cccc(Oc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1	58183456	YRBYAZGMMTZCGI-AWEZNQCLSA-N	363.369	4.671	5	40	FJBB	
O=[N+]([O-])c1cccnc1N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1	75094638	IBTCVMFXCIXSIS-CQSZACIVSA-N	351.328	4.740	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](CO)c1cccc(Cl)c1Cl	595827269	BGBKMRVPNYRXDZ-MEDUHNTESA-N	369.248	4.594	5	40	FJBB	
O=C(Nc1ccc(-c2nccs2)cc1)c1ccc([N+](=O)[O-])cc1Cl	7684166	GWSRXCFLIGRXBO-UHFFFAOYSA-N	359.794	4.624	5	40	FJBB	
O=[N+]([O-])c1ccccc1[C@@H]1N=C(O)c2c(-c3ccccc3)csc2N1	4571740	BBPKPVGPSOJDMI-MRXNPFEDSA-N	351.387	4.752	5	40	FJBB	
CC(=O)c1ccc(NC(=S)Nc2cc3ccncc3c3ncccc23)cc1	408974193	DFJJDDOFAOIVTG-UHFFFAOYSA-N	372.453	4.795	5	40	FJBB	
Cc1ccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)c(C)c1	2116977	QSCVZPVTTVDXFP-UHFFFAOYSA-N	357.409	4.920	5	40	FJBB	biogenic
O=C(CCSCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl	7685845	YDIDTZSPAUVHRQ-UHFFFAOYSA-N	350.827	4.510	5	40	FJBB	
O=[N+]([O-])c1ccc(-c2ccc(-c3nnc(-c4ccco4)o3)o2)c(Cl)c1	5034190	RCVUVZBVEVIUPT-UHFFFAOYSA-N	357.709	4.818	5	40	FJBB	
CN1/C(=C\[C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)C(C)(C)c2ccccc21	12564954	KVBFEQLMPLBWDO-RANIVTSPSA-N	361.445	4.840	5	40	FJBB	
O=C(O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1	408992893	UCDVXHRBYLVPRJ-NHQIJDEQSA-N	364.401	4.590	5	40	FJBB	
C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc12)c1cccc(C(F)(F)F)c1	586980867	VRCODIMLMQYQKL-MRVPVSSYSA-N	368.340	4.791	5	40	FJBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2ccc(Cl)cc2s1	3192081	RSCPSBOHNNUUSU-QPJJXVBHSA-N	359.794	4.510	5	40	FJBB	
O=C(Nc1ccc(F)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	408907162	LSVRAFHXJIRMTE-XSFVSMFZSA-N	362.360	4.913	5	40	FJBB	
COc1ccc(OC)c2c1[C@@H](c1ccccc1[N+](=O)[O-])O[C@@H]1CCCC[C@H]21	4789093	ZIAKEACEGLRLJF-CMPZQBNXSA-N	369.417	4.758	5	40	FJBB	
CC(C)(C)/N=c1/scc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1	102946880	LPGYZDYTOQEWPL-CZIZESTLSA-N	353.447	4.813	5	40	FJBB	
Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Br	943335	HQVHKJAUJXIBQS-UHFFFAOYSA-N	370.586	4.538	5	40	FJBB	
COc1cccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)c1	2118950	ZPRLRADMPWKYEH-UHFFFAOYSA-N	373.408	4.620	5	40	FJBB	biogenic
Cc1c(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-]	5724496	DOBOUVUWJGFTGJ-UHFFFAOYSA-N	358.703	4.828	5	40	FJBB	
COc1cc(NC(=O)c2cc3ccccc3c3cccnc23)cc(OC)c1	40128513	AQUNVRKDZPPMBI-UHFFFAOYSA-N	358.397	4.658	5	40	FJBB	
Cc1cccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1C	72229503	AKESGKYQCQSQOH-UHFFFAOYSA-N	369.204	4.536	5	40	FJBB	
O=C1c2ccccc2N[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(F)cc1	7889531	ZSRWAZYUXSFJCQ-LJQANCHMSA-N	363.348	4.505	5	40	FJBB	
Cc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1	14577296	YITOWCMYYRZJSV-NRFANRHFSA-N	360.413	4.731	5	40	FJBB	
CCCCOc1cccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2CC)c1	72228680	QGFDZPVDQDZPFW-UHFFFAOYSA-N	356.422	4.897	5	40	FJBB	
O=[N+]([O-])c1cc2c(cc1/C=C/c1ccccc1)[C@@H](O)[C@H](c1ccccc1)N2	3845004	ITOQIWZOAQFVLF-QFBGAIGZSA-N	358.397	4.965	5	40	FJBB	
COc1ccccc1N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1	4309518	OZPIEKZWHDLFJD-OAQYLSRUSA-N	373.412	4.959	5	40	FJBB	
Cc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1C	5687627	CPFQXFPPHBCCEQ-UHFFFAOYSA-N	367.449	4.700	5	40	FJBB	
C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1	6409634	KYUPAQPDTNATGZ-CMBGOWRLSA-N	369.446	4.551	5	40	FJBB	
CCCCNc1ccc(-c2nc(-c3ccccc3C)no2)cc1[N+](=O)[O-]	20897619	TYXNMQHBGVOMTN-UHFFFAOYSA-N	352.394	4.832	5	40	FJBB	
COc1cc(/C=C/c2nc3cc(Cl)ccc3s2)cc([N+](=O)[O-])c1O	35587925	KHTUQEOJTAUXKU-GORDUTHDSA-N	362.794	4.743	5	40	FJBB	
C[C@@H]1Cc2ccccc2N1C(=S)Nc1cc2cccnc2c2ncccc12	409319874	NAPZMHDKNCEHRD-CQSZACIVSA-N	370.481	4.931	5	40	FJBB	
O=C(c1ccco1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	853520	ZUHOURBGNLTGOZ-UHFFFAOYSA-N	356.765	4.688	5	40	FJBB	
Cc1cc2nc3c4cc(F)ccc4n(Cc4cccnc4)c3nc2cc1C	13722285	CSPZDYYXIVWFTM-UHFFFAOYSA-N	356.404	4.937	5	40	FJBB	
O=[N+]([O-])c1cccc(-c2noc(CSc3nc4ccccc4s3)n2)c1	31840453	XXWLEMOWWHDFGG-UHFFFAOYSA-N	370.415	4.547	5	40	FJBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1	40095055	VRHQZSBWFIKDPI-LBPRGKRZSA-N	369.377	4.575	5	40	FJBB	
O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2[N+](=O)[O-])N1C1CCCCC1	57680056	OFIHBIHVNYDAGB-ZDOMSUIMSA-N	350.418	4.536	5	40	FJBB	in-vitro
CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc([N+](=O)[O-])cc1	862103	XWQFBDANJFMJGA-UHFFFAOYSA-N	374.853	4.819	5	40	FJBB	
O=[N+]([O-])c1cc2c(cc1NC(c1ccccc1)c1ccccc1)OCCO2	6346145	IIGPTWGHJTXRCO-UHFFFAOYSA-N	362.385	4.568	5	40	FJBB	
O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(Cl)c1	89800413	NLDDDEDQQSONES-INIZCTEOSA-N	374.824	4.751	5	40	FJBB	
O=C(NCCC1=CCCCC1)c1ccc2[nH]c3nc4ccccc4nc3c2c1	408977923	ZOHSOZFQRUJZED-UHFFFAOYSA-N	370.456	4.885	5	40	FJBB	
O=C1C(c2ccccc2)=[N+]([O-])c2cc([N+](=O)[O-])c(/C=C\c3ccccc3)cc21	13403305	BHKGDKVRDXPUFI-QXMHVHEDSA-N	370.364	4.593	5	40	FJBB	
O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1F)N1CCCCC1	24254290	LOYVWISSAXBOQC-UHFFFAOYSA-N	360.410	4.511	5	40	FJBB	
Cc1cc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2)c2ccccc2n1	1426800	IQNXIHWBXKPRGF-UHFFFAOYSA-N	366.764	4.822	5	40	FJBB	
Cc1ccccc1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12	97165900	MPQPKPPAFVGOGY-UHFFFAOYSA-N	364.351	4.520	5	40	FJBB	
Cc1ccc(CNc2ccc(-c3nc(C(C)C)no3)cc2[N+](=O)[O-])cc1	8586932	PWGFKELHPBVGHE-UHFFFAOYSA-N	352.394	4.689	5	40	FJBB	
Cc1cccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)c1C	2113961	OLMHANWRIHRSDU-UHFFFAOYSA-N	357.409	4.920	5	40	FJBB	biogenic
Cc1cc(NC(=O)CCC2CCCCC2)nc2c1c(=O)oc1ccccc12	4108195	RYIXHRRMXUEDKJ-UHFFFAOYSA-N	364.445	4.949	5	40	FJBB	
COc1ccc(C(=O)Nc2ccc3sc4ccccc4c(=O)c3c2)cc1	4512162	XBGMPEMAFTZMCT-UHFFFAOYSA-N	361.422	4.676	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	80344903	LPXDINYWUXJJPY-GJZGRUSLSA-N	351.189	4.644	5	40	FJBB	
Cc1c(NC(=O)CSCc2ccc(Cl)cc2F)cccc1[N+](=O)[O-]	224564794	HNYSAKOKKGBOTI-UHFFFAOYSA-N	368.817	4.568	5	40	FJBB	
O=c1c2c(-c3ccccc3)csc2nc2c3ccccc3c(Cl)nn12	948372	LIDLKUREKIRULX-UHFFFAOYSA-N	363.829	4.778	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCSc2ccc(Cl)cc21	12797204	ZEBIFDPCVHXWLZ-AWEZNQCLSA-N	363.826	4.607	5	40	FJBB	
Cc1cccc(COc2ccccc2/C=C\c2onc(C)c2[N+](=O)[O-])c1	408544423	SZGSDWYDKWOZJE-KHPPLWFESA-N	350.374	4.949	5	40	FJBB	
CCc1ccccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1	4668191	LONUJBOEFXXJQN-UHFFFAOYSA-N	367.449	4.646	5	40	FJBB	
CC(C)(C)/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1	12592208	LPGYZDYTOQEWPL-ZZEZOPTASA-N	353.447	4.813	5	40	FJBB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2ccc(O)cc2)CC1	58369547	MSTRSGAQAFOJRG-UHFFFAOYSA-N	366.339	4.703	5	40	FJBB	
O=[N+]([O-])c1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1	73642125	SVTAQVDEYBKGNQ-UHFFFAOYSA-N	353.559	4.819	5	40	FJBB	
CCOc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F	107736382	SMBHKOIHJFUOKS-BQYQJAHWSA-N	351.761	4.704	5	40	FJBB	
Cc1nc(Nc2ccccc2Cl)nc(N(C)c2ccccc2)c1[N+](=O)[O-]	5360806	NELAHKZTWHYPSP-UHFFFAOYSA-N	369.812	4.858	5	40	FJBB	
O=[N+]([O-])c1ccc2nc(-c3cc(O)ccc3O)cc(-c3ccccc3)c2c1	15454015	QSPWMPISPBYYTG-UHFFFAOYSA-N	358.353	4.888	5	40	FJBB	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cc1ccccc1[N+](=O)[O-]	30317198	KFGLCWSGCGZNQH-NSHDSACASA-N	367.232	4.664	5	40	FJBB	
C[C@@H]1Cc2ccccc2N1C(=S)Nc1cc2cccnc2c2cccnc12	408974226	DLNYCRFNAFXDRE-CQSZACIVSA-N	370.481	4.931	5	40	FJBB	
C[C@H]([C@H](c1ccc(Br)cc1)c1ccccc1Cl)[N+](=O)[O-]	1755189	DFJVKHSHTGUZAZ-MEBBXXQBSA-N	354.631	4.900	5	40	FJBB	
O=C(CNc1ccc(Cl)cc1)c1cc2c(ccc3ccccc32)oc1=O	3219064	VZCBVWLHVYKIGQ-UHFFFAOYSA-N	363.800	4.894	5	40	FJBB	
Cc1cc2nc3c4cc(F)ccc4n(Cc4ccncc4)c3nc2cc1C	13719298	VOMRJCPPVARQDX-UHFFFAOYSA-N	356.404	4.937	5	40	FJBB	
CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	20483056	KAJXEFHXKBGMBZ-AWEZNQCLSA-N	369.204	4.698	5	40	FJBB	
C[C@@H]1CCN=C(N(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1	27526051	NLMGKZKYYFMBTM-INIZCTEOSA-N	365.433	4.503	5	40	FJBB	
CC(C)c1ccccc1O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	44901064	JJOYWDZDQADNEE-GFCCVEGCSA-N	362.813	4.778	5	40	FJBB	
CCCN(CCC)c1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12	1820074	UBUZKXSKDQXTEK-UHFFFAOYSA-N	350.422	4.831	5	40	FJBB	
COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-]	408619919	DGRJCDYJBIVTLJ-UHFFFAOYSA-N	372.764	4.769	5	40	FJBB	
O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(F)cc3)cc2)cc1	408603975	CJVJMTBUHLYTKJ-UHFFFAOYSA-N	352.365	4.925	5	40	FJBB	
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1[N+](=O)[O-]	9479470	HAIYDIQPZULBIP-UHFFFAOYSA-N	368.311	4.655	5	40	FJBB	
C[C@H](Nc1cccc2c1CCCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	52712415	BZORJJIXTSUQCM-ZDUSSCGKSA-N	364.405	4.697	5	40	FJBB	
Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)O2	218120431	DKOIGZUQWLHYDP-MRXNPFEDSA-N	374.824	4.589	5	40	FJBB	
COc1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1	6503777	VLSBZDYCKQQEOM-UHFFFAOYSA-N	366.373	4.733	5	40	FJBB	
O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1cccc([N+](=O)[O-])c1	8907936	PLJXBVVGDYKWPA-UHFFFAOYSA-N	371.245	4.774	5	40	FJBB	
Cc1ccc(C(C)C)c(OCC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1	15178722	WKRLDUWGAWCJPT-INIZCTEOSA-N	370.449	4.625	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	80344895	LPXDINYWUXJJPY-HUUCEWRRSA-N	351.189	4.644	5	40	FJBB	
Cc1ccc(-c2ccc(C(=O)n3cc(C=O)c4ccccc43)o2)c([N+](=O)[O-])c1	226767342	DAAOBKPRPWFLQW-UHFFFAOYSA-N	374.352	4.619	5	40	FJBB	
O=[N+]([O-])c1ccc(F)cc1Oc1nc(-c2cccnc2)nc2ccccc12	3449920	AHUIUVFHNDUXJY-UHFFFAOYSA-N	362.320	4.531	5	40	FJBB	
O=C(c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	4952707	KCMNTTKMJGJVAY-UHFFFAOYSA-N	364.313	4.526	5	40	FJBB	
Cc1cccc2c(=O)c3c(O)cc(OCc4cccc(F)c4)cc3oc12	5272155	OQVCGDBVYBRAQV-UHFFFAOYSA-N	350.345	4.678	5	40	FJBB	
C[C@@H](NC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	8434708	PMMMZJFXAAMIKV-OAHLLOKOSA-N	362.385	4.878	5	40	FJBB	
O=C(Nc1ccc2scnc2c1)c1cc2cc([N+](=O)[O-])ccc2s1	10217482	DCGRZDCMMLKNAW-UHFFFAOYSA-N	355.400	4.672	5	40	FJBB	
Cc1ccc(C)c(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)c1	2124954	CJGCOEMSIMXTIG-UHFFFAOYSA-N	357.409	4.920	5	40	FJBB	biogenic
Cc1nc2cc(COC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2s1	3241614	UDJDSSXLXXIKRL-UHFFFAOYSA-N	362.794	4.523	5	40	FJBB	
Cc1cc([C@@H](C)NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)s1	95349611	BGLCBNCFPHMKBV-OKPNEXGHSA-N	364.854	4.817	5	40	FJBB	
Cc1ccc2nc(C3CC3)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)c2c1	72313726	NAXFETVVHVHZTB-UHFFFAOYSA-N	365.364	4.720	5	40	FJBB	
Cc1ccc2sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc2c1C	4275369	ZJOONUCGEWTYCR-UHFFFAOYSA-N	361.810	4.727	5	40	FJBB	
O=c1cc(CN2CCC[C@H](C(F)(F)F)C2)c2c(ccc3ccccc32)o1	57332248	VCNKBYZDDSBDGZ-HNNXBMFYSA-N	361.363	4.721	5	40	FJBB	
O=[N+]([O-])c1c(N[C@H](Cc2ccccc2)c2ccccc2)nc2sccn12	8338338	HCABMPDTOHTZLO-MRXNPFEDSA-N	364.430	4.700	5	40	FJBB	
CCOc1cc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)ccc1OC	6614882	JSPINOWWQRRCBX-VQHVLOKHSA-N	350.374	4.721	5	40	FJBB	
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N+]1(Cc2ccccc2)CCCC1	41690150	QLVGGLZNWFXOKW-MZURWIMNSA-N	374.589	4.636	5	40	FJBB	
CCC1(CC)C[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2O1	223647578	VDPZPOIJUUDJHG-KRWDZBQOSA-N	368.433	4.716	5	40	FJBB	
CC1=CC(C)(C)Nc2ccc(OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc21	1850778	ZGTDJVMRHOKZLT-JXMROGBWSA-N	364.401	4.821	5	40	FJBB	
CCCOc1c(Cl)cc(CNc2cccc([N+](=O)[O-])c2)cc1OC	408559258	UTJNPXJOUTYSIN-UHFFFAOYSA-N	350.802	4.658	5	40	FJBB	
CCOc1ccc(-c2ccc(SCc3ccc([N+](=O)[O-])cc3)nn2)cc1	4355984	IFAIDZXCEPFPLN-UHFFFAOYSA-N	367.430	4.743	5	40	FJBB	
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C12CC3CC(CC(C3)C1)C2	6468819	QVBNDJBKPQCLCN-UZNLNLPZSA-N	362.857	4.583	5	40	FJBB	
O=[N+]([O-])c1ccc(NCCNc2cccc3ccccc23)c2ccncc12	22797193	XPULDZYCBOVLOH-UHFFFAOYSA-N	358.401	4.820	5	40	FJBB	
CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	222917995	VFVAWKAWQARFEP-GOSISDBHSA-N	356.422	4.688	5	40	FJBB	
COc1cccc(C(=O)Oc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1	4481550	RGBHNPPAJHLUPG-UHFFFAOYSA-N	365.341	4.615	5	40	FJBB	
CCN(CC)C[C@@H](OC(C)=O)c1ccc2ccc3ccc(O)cc3c2c1	6382483	GUNDBCMWZJKUBG-JOCHJYFZSA-N	351.446	4.645	5	40	FJBB	
Cc1ccc(NCCN2CCCCC2)c2c(=O)c3ccccc3sc12	4366918	KKFBLQFPAFFXJU-UHFFFAOYSA-N	352.503	4.621	5	40	FJBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1ccccc1Cl	15831063	KEHUMCHUPFHSLB-UHFFFAOYSA-N	370.792	4.684	5	40	FJBB	
CCOc1ccc(NC(=O)Nc2cc3ccncc3c3ncccc23)cc1	408976739	RWDKJWQUTOFAQR-UHFFFAOYSA-N	358.401	4.826	5	40	FJBB	
COc1ccc2[nH]c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c1	712843	CSPMYLKWPRIKHY-UHFFFAOYSA-N	369.324	4.650	5	40	FJBB	
Cc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1[N+](=O)[O-]	24833078	XFAPVKCAMNXYMY-UHFFFAOYSA-N	372.384	4.699	5	40	FJBB	
CSc1ccc(C(=O)O[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-]	7737491	AVFUWRNEATYPNM-LLVKDONJSA-N	357.387	4.981	5	40	FJBB	
C[C@@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1	7750812	SAWKGVPJNXQNAZ-GFCCVEGCSA-N	370.792	4.999	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1ccsc1	58139882	QNMPXFRJYYJNBN-CQSZACIVSA-N	351.815	4.679	5	40	FJBB	
CCOc1ccc2nc(S[C@H](C[N+](=O)[O-])c3ccccc3)sc2c1	59489742	HSJCMSGHGCVWIP-MRXNPFEDSA-N	360.460	4.805	5	40	FJBB	
COc1ccc(N(Cc2cccs2)C(=O)c2ccccc2[N+](=O)[O-])cc1	11916241	MBDKEEAYMWKTHK-UHFFFAOYSA-N	368.414	4.512	5	40	FJBB	
CCN(CC)c1cc(NC(=O)c2ccccc2C)c(Cl)cc1[N+](=O)[O-]	72229110	POUUCYNIANOMQF-UHFFFAOYSA-N	361.829	4.655	5	40	FJBB	
CCCOc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1Br	408542591	KIDXWAVUYDXPSK-FNORWQNLSA-N	367.199	4.613	5	40	FJBB	
Cc1noc(/C=C/c2cccc(OCc3ccc(F)cc3)c2)c1[N+](=O)[O-]	6279850	XXRVSZHHAKRCMV-JXMROGBWSA-N	354.337	4.780	5	40	FJBB	
COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	32806107	RLWXQAMYQOPBKE-LJQANCHMSA-N	369.421	4.753	5	40	FJBB	
O=C(OC[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1	104116981	GMKJTBKWFFGKGT-ZULIPRJHSA-N	351.402	4.582	5	40	FJBB	
COC(=O)CCSc1c2ccc(Cl)cc2nc2ccc(OC)cc12	8232231	JMCYJGOKKAACLT-UHFFFAOYSA-N	361.850	4.705	5	40	FJBB	
C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	408629163	NEKBXUILYBWWLT-CYBMUJFWSA-N	373.840	4.879	5	40	FJBB	
Cc1ccc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	409411834	LUYUFXOQPDNVBX-UHFFFAOYSA-N	371.245	4.941	5	40	FJBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1C(F)(F)F	1753317	SKFQSEXNJNOWBH-UHFFFAOYSA-N	359.691	4.911	5	40	FJBB	
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	5164999	HBASINXNRMUZLJ-UHFFFAOYSA-N	366.417	4.553	5	40	FJBB	
CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1C	223018770	GQCMCTZBZJYUHS-KRWDZBQOSA-N	362.813	4.661	5	40	FJBB	
O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1csc(Nc2ccccc2)n1	846063	RHEDGOOZFWLFQK-UHFFFAOYSA-N	365.370	4.568	5	40	FJBB	
O=[N+]([O-])c1ccc(CSc2nnc(Nc3cccc(F)c3)s2)cc1	7576916	ALFMNTBRXDLYLK-UHFFFAOYSA-N	362.411	4.621	5	40	FJBB	
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccc3ccccc3c2n1	40384415	CVIFYIIDLSHHKG-UHFFFAOYSA-N	357.369	4.857	5	40	FJBB	
Cc1cc2sc(NC(=O)c3cccc([N+](=O)[O-])c3C)nc2cc1Cl	6826383	GUTGGUYKOHVXOO-UHFFFAOYSA-N	361.810	4.727	5	40	FJBB	
C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	223789849	QFUAJXAWHKSQSD-GFCCVEGCSA-N	374.824	4.533	5	40	FJBB	
O=C(Nc1ccccc1F)c1ccc2nc3[nH]c4ccccc4c3nc2c1	408721586	JIADWYZNLXWIOP-UHFFFAOYSA-N	356.360	4.656	5	40	FJBB	
Cc1ccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1	2124749	BJURHBJFUHYOHB-UHFFFAOYSA-N	357.409	4.920	5	40	FJBB	biogenic
Cc1ccc(C2=N/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)O2)cc1	5172993	INRTWJPBEHTRMT-PDGQHHTCSA-N	374.352	4.508	5	40	FJBB	
CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	7923992	FVNLGCZAOVCOHZ-SFHVURJKSA-N	374.824	4.624	5	40	FJBB	
O=[N+]([O-])c1ncccc1Oc1ncnc2scc(-c3ccc(F)cc3)c12	7983394	UTQOMAKWTCVOHW-UHFFFAOYSA-N	368.349	4.593	5	40	FJBB	
Cc1ccccc1[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1	216280259	GHWABWQRFWPGGN-OAQYLSRUSA-N	360.413	4.731	5	40	FJBB	
CC(C)c1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	218122667	GTRLMZYXLWNUJJ-UHFFFAOYSA-N	360.841	4.734	5	40	FJBB	
O=c1cc(-c2cccc([N+](=O)[O-])c2)c2ccc(OCc3ccccc3)cc2o1	842816	RZIVBVQKIXYYFZ-UHFFFAOYSA-N	373.364	4.947	5	40	FJBB	
O=c1oc2ccccc2cc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	3293793	CSYFAZZAAWFJRM-UHFFFAOYSA-N	367.304	4.871	5	40	FJBB	
CC(C)c1ccc(C(=O)Nc2cc(N(C)C)c([N+](=O)[O-])cc2Cl)cc1	72229130	QOJMPHUPFQOVGD-UHFFFAOYSA-N	361.829	4.690	5	40	FJBB	
Cc1ccc(C(C)C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1	19162897	DHFUEQPZUBWPQG-UHFFFAOYSA-N	362.813	4.698	5	40	FJBB	
CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Cl)c1OCC	108248050	QQECNNDALULKMU-SREVYHEPSA-N	352.774	4.512	5	40	FJBB	
O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc([N+](=O)[O-])cc1	4330807	JWJXHEXDDMYAKB-UHFFFAOYSA-N	368.201	4.764	5	40	FJBB	
Cc1ccc(Nc2nc(Cl)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C	5363740	OLXGKTLWASBXAE-UHFFFAOYSA-N	370.800	4.537	5	40	FJBB	
O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccccc3F)cc2)c1	408560290	YMWMFHHZWLXUQS-UHFFFAOYSA-N	352.365	4.925	5	40	FJBB	
Cc1cc2sc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)nc2cc1Cl	6846523	VNJZTMWXMFEWFK-UHFFFAOYSA-N	361.810	4.727	5	40	FJBB	
C[C@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)c1cccc([N+](=O)[O-])c1	12928809	XARVDKDDAUUFAT-PMDBQALLSA-N	370.409	4.876	5	40	FJBB	
Cc1noc(/C=C/c2ccc(OC(C)C)c(Br)c2)c1[N+](=O)[O-]	107810825	OLSHGBDNEDNBTM-FNORWQNLSA-N	367.199	4.611	5	40	FJBB	
CN(Cc1ccc(Cl)nc1)C(=O)c1cc2ccccc2c2cccnc12	76404354	UQTHAYVGOGJOKY-UHFFFAOYSA-N	361.832	4.709	5	40	FJBB	
O=C(Nc1nc2ccccc2s1)c1cc2cc([N+](=O)[O-])ccc2s1	4194496	BXMIPXFHXXBFIB-UHFFFAOYSA-N	355.400	4.672	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1O)C1[C@H]2CC/C=C/CC/C=C\CC[C@@H]12	4595385	YWCQKKGLXGBROQ-CJSKEXKKSA-N	356.422	4.568	5	40	FJBB	
CCc1ccc(CN(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1	8915260	YTPRRJUJKIMOHI-UHFFFAOYSA-N	364.401	4.593	5	40	FJBB	
COc1ccc([N+](=O)[O-])cc1Oc1ncnc2sc3c(c12)CCCCC3	14190593	KWIKAOXFANGJQN-UHFFFAOYSA-N	371.418	4.669	5	40	FJBB	
CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	20046532	FVPITJKOHNJKPN-QGZVFWFLSA-N	362.813	4.661	5	40	FJBB	
Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccn1	4123458	CUWCPGCUDWGNDY-NRFANRHFSA-N	358.401	4.981	5	40	FJBB	
O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1	89262482	APMPBODDTAEZFS-UHFFFAOYSA-N	369.686	4.984	5	40	FJBB	
Cc1ccc(C)c(-c2cnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)c1	811291	PVNPVVRQYVFRRK-UHFFFAOYSA-N	353.403	4.587	5	40	FJBB	
CCOc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC	7844544	QWPNQLHYEMAUBY-UHFFFAOYSA-N	356.403	4.793	5	40	FJBB	
O=C(CSc1nc2ccccc2c2ccccc12)N1CCCCCC1	12139478	BVBSJGZGGRTEIF-UHFFFAOYSA-N	350.487	4.883	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(Cl)cc1Cl	46569723	USGGTIFVZNBOGN-UHFFFAOYSA-N	353.205	4.781	5	40	FJBB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12	7093806	KUXUJFCIFRSZBF-UHFFFAOYSA-N	352.415	4.620	5	40	FJBB	
CCOc1ccc(NC(=O)Nc2cc3cccnc3c3cccnc23)cc1	408974221	DLHBHOUPOKDKCW-UHFFFAOYSA-N	358.401	4.826	5	40	FJBB	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1	408994142	GLWVAEUTHZXTHH-NFKIQKPMSA-N	365.389	4.800	5	40	FJBB	
Nc1ccccc1S[C@@H](CC(=O)c1cccs1)c1ccc([N+](=O)[O-])o1	3199888	GGUDNHUUNBODLV-INIZCTEOSA-N	374.443	4.938	5	40	FJBB	
CC(=O)O[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1	5481134	ZHNIXXNROSSAPL-OAHLLOKOSA-N	360.416	4.559	5	40	FJBB	
CCc1ccc2oc(Nc3nc4c(OC)cc([N+](=O)[O-])cc4s3)nc2c1	57352695	YWVQKFOKMSYFQE-UHFFFAOYSA-N	370.390	4.660	5	40	FJBB	
O=C(O)c1ccc(CNc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1	8702229	RSZXDJNYXOVSCX-UHFFFAOYSA-N	370.386	4.649	5	40	FJBB	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)OCc1cc(=O)oc2ccc3ccccc3c12	102244151	AAQDJAHOLKXVGF-XIRDDKMYSA-N	362.425	4.816	5	40	FJBB	
CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C	222921977	QEQMQUILZQIMGB-LJQANCHMSA-N	370.449	4.997	5	40	FJBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1Cc1ccccc1	3278959	YSZUFUCRYTXXJS-CCEZHUSRSA-N	358.397	4.838	5	40	FJBB	
O=C(OCc1csc(-c2ccccc2)n1)c1ccc(Cl)cc1[N+](=O)[O-]	2652993	BILGIUDKXPETHM-UHFFFAOYSA-N	374.805	4.729	5	40	FJBB	
CCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccccc1	4696264	CHTJHFAINPOQQR-UHFFFAOYSA-N	353.403	4.533	5	40	FJBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1c(-c2ccccc2Cl)noc1C	5540730	VRMCKPAADIRLGX-UHFFFAOYSA-N	371.780	4.772	5	40	FJBB	
O=C(N[C@H]1CCOc2ccccc21)c1cc2ccccc2c2cccnc12	40122813	CPHDQUFPWFGDLT-FQEVSTJZSA-N	354.409	4.642	5	40	FJBB	
COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c1	408993512	VWFKRCALKFMJLC-UCCCNAJCSA-N	350.418	4.900	5	40	FJBB	
O=[N+]([O-])c1ccc2c(c1)nc(-c1ccc(O)cc1)c1cc([N+](=O)[O-])ccc12	1857795318	WCBGINDDJXMSEA-UHFFFAOYSA-N	361.313	4.577	5	40	FJBB	
O=C(Nc1nc2c(Cl)cccc2s1)c1cc(Cl)ccc1[N+](=O)[O-]	4072629	HDSPAMMBORVQIS-UHFFFAOYSA-N	368.201	4.764	5	40	FJBB	
Cc1cccc(C)c1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1	7388495	KKCTZKQSEHYEET-UHFFFAOYSA-N	367.449	4.700	5	40	FJBB	
Cc1ccc(NC(=O)[C@@H](Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	89626374	CLEKHZDHWQONQK-FQEVSTJZSA-N	361.401	4.695	5	40	FJBB	
O=[N+]([O-])c1ccc(NCCNCc2ccc(Cl)c(Cl)c2)c(Cl)c1	16384744	NMHIGOLTLZSBJQ-UHFFFAOYSA-N	374.655	4.757	5	40	FJBB	
CN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1	13712624	RWDBTBGVPGCVJG-OAQYLSRUSA-N	356.385	4.608	5	40	FJBB	
O=[N+]([O-])c1cc(-c2nc(-c3ccc(OC(F)F)cc3)no2)ccc1Cl	89262445	PFIJZZLVVVCSST-UHFFFAOYSA-N	367.695	4.567	5	40	FJBB	
CCN(CC)C(=O)c1c(C)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1	5156895	GHIUVEORPHNBJL-UHFFFAOYSA-N	363.417	4.600	5	40	FJBB	
CCc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2[N+](=O)[O-])cc1	8915259	IXORTJNYOKZOLE-UHFFFAOYSA-N	364.401	4.593	5	40	FJBB	
Cc1ccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1C	4108191	BGGCXBDTMSFAQK-UHFFFAOYSA-N	358.397	4.519	5	40	FJBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)oc1ccccc12	4906795	UAXBJFXAAPHYIY-UHFFFAOYSA-N	362.341	4.512	5	40	FJBB	
CC(C)c1nc2oc3ccc(Cl)cc3c(=O)c2c2nc3ccccc3n12	5209279	BAJKPGIVBJJQFB-UHFFFAOYSA-N	363.804	4.919	5	40	FJBB	
O=[N+]([O-])c1ccc(NCCNCc2ccc(Cl)cc2Cl)c(Cl)c1	16385812	YJQLESIHGGNMFH-UHFFFAOYSA-N	374.655	4.757	5	40	FJBB	
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1cccc2ccccc12	95470929	RCXWDYBSHAAEHY-UHFFFAOYSA-N	368.348	4.702	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(Cl)cc1F	223880108	HTFOTBNHGDJIJD-UHFFFAOYSA-N	368.817	4.568	5	40	FJBB	
CC(C)Cn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1	409109065	XIONOGVFTZTNGZ-UHFFFAOYSA-N	368.462	4.802	5	40	FJBB	
O=C(c1ccc(F)cc1)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	2645484	DIZNFQFREAYFGG-UHFFFAOYSA-N	351.333	4.544	5	40	FJBB	
Cc1noc(/C=C/c2ccc(OCc3ccccc3F)cc2)c1[N+](=O)[O-]	9295462	FPKNRXYDKXZCPE-DHZHZOJOSA-N	354.337	4.780	5	40	FJBB	
C[C@H](C(=O)Nc1ccc2[nH]c3ccccc3c2c1)c1ccc([N+](=O)[O-])cc1	44781925	HEBOGRSWFPPLIN-ZDUSSCGKSA-N	359.385	4.972	5	40	FJBB	
Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])o1	830434	IVZPXRBUKDZAES-UHFFFAOYSA-N	363.329	4.557	5	40	FJBB	
COc1ccc([C@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2c2ccccc2)cc1	226761215	SZQPBWPGPLDBDB-JOCHJYFZSA-N	373.412	4.959	5	40	FJBB	
O=[N+]([O-])c1cccc2c1c1cccc([N+](=O)[O-])c1c1cccc([N+](=O)[O-])c21	225048722	DYWBFPRQOQOYPL-UHFFFAOYSA-N	363.285	4.871	5	40	FJBB	
Cc1cc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(C)c1Cl	408705637	KGSXZIHYOWUHTJ-ZDUSSCGKSA-N	362.813	4.579	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1-c1ccccc1	11618927	HMQXYLWIUYSCFK-UHFFFAOYSA-N	361.401	4.621	5	40	FJBB	
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1Cl	218120522	ADWBRJYMNPOOFW-INIZCTEOSA-N	374.824	4.589	5	40	FJBB	
O=[N+]([O-])c1cccc(-c2nn3cc(-c4ccc(Cl)cc4)nc3s2)c1	5323175	MIJGNBWNAZNMDJ-UHFFFAOYSA-N	356.794	4.686	5	40	FJBB	
COc1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1	5526781	WERYVTGMCOWBKC-SOFGYWHQSA-N	367.188	4.562	5	40	FJBB	
C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])C1	7191903	BJUKYEKVBGYRQH-ZDUSSCGKSA-N	373.840	4.737	5	40	FJBB	
O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@H]3C[C@@H](c4ccccc4)NN23)c1	19171697	JHBBRCDFRDNVNA-VWPQPMDRSA-N	373.412	4.679	5	40	FJBB	
C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1	32726965	FXPCANOQXYHIMW-RYUDHWBXSA-N	362.813	4.626	5	40	FJBB	
CCCc1cc(=O)oc2cc(Oc3ccc(C(C)=O)cc3[N+](=O)[O-])ccc12	7983151	BOVDOCSTCPJAIN-UHFFFAOYSA-N	367.357	4.649	5	40	FJBB	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[N+]1(Cc2ccccc2)CCCC1	226170132	QLVGGLZNWFXOKW-ONTLXTELSA-N	374.589	4.636	5	40	FJBB	
CCCCOC(=O)c1cc(Cl)c(N2CCCC[C@H]2C)c([N+](=O)[O-])c1	70462594	YHWVIHDUNFYFEH-GFCCVEGCSA-N	354.834	4.584	5	40	FJBB	
CCOc1ccc(NC(=S)Nc2ccc3nc4ccccc4nc3c2)cc1	408975007	HGZDJXFZBHDYRC-UHFFFAOYSA-N	374.469	4.991	5	40	FJBB	
CSc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]	6787741	UPZVXWHXTZJPJA-UHFFFAOYSA-N	357.218	4.876	5	40	FJBB	
CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1C	225701562	KOGKWOQVUNLGLZ-HXUWFJFHSA-N	368.433	4.578	5	40	FJBB	
O=C(Nc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	4927438	XEAKQEOIIBGVMR-UHFFFAOYSA-N	359.691	4.911	5	40	FJBB	
O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCCCCCCCCCC2)c1	5944419	RPEDZQXMRWHIKX-UHFFFAOYSA-N	368.499	4.546	5	40	FJBB	
O=[N+]([O-])c1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)c(Cl)c1	29297991	CPTVXCQHKWWWGW-UHFFFAOYSA-N	366.160	4.531	5	40	FJBB	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1(c2ccc(F)cc2)CCC1	89783073	UVYMHGJHSSQMTA-UHFFFAOYSA-N	363.776	4.588	5	40	FJBB	
C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)CCCC2	222907312	ZUXSEKSYLVVPDP-LBPRGKRZSA-N	358.825	4.618	5	40	FJBB	
COc1cccc(Nc2nc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)c1	3235086	FFYBFZQICZRCPH-UHFFFAOYSA-N	372.384	4.957	5	40	FJBB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)C2)cc1	6086276	UWGCZSFTAULFNQ-QFIPXVFZSA-N	373.412	4.959	5	40	FJBB	
Cc1cc(NC(=O)CC2CCCCC2)nc2c1c(=O)oc1ccccc12	6472026	OSAVIODXHXWLHZ-UHFFFAOYSA-N	350.418	4.559	5	40	FJBB	
CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc([N+](=O)[O-])c1	216228205	QEQQJSLKHRGAFZ-IBGZPJMESA-N	350.374	4.544	5	40	FJBB	
CCCCOc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OCC	408625599	XOOWOPNRAVDGBT-UHFFFAOYSA-N	372.421	4.733	5	40	FJBB	
COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1	408995781	NISSAZXJCVFJIH-UAADMILHSA-N	350.418	4.900	5	40	FJBB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1c(Cl)cccc1Cl	12904146	AZPNOYYWQNFNFR-LLVKDONJSA-N	367.232	4.664	5	40	FJBB	
CCN(CC)c1ccc2c(C)c(-c3cccc([N+](=O)[O-])c3)c(=O)oc2c1	245189628	XXUDHOAWTDRUDS-UHFFFAOYSA-N	352.390	4.523	5	40	FJBB	
Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1Br	3562170	RUGCBRJQTOVGCD-UHFFFAOYSA-N	369.602	4.571	5	40	FJBB	
O=[N+]([O-])c1ccc(NCCNCc2cccc3ccccc23)c(Cl)c1	16526300	YILVPDJRFOEZJM-UHFFFAOYSA-N	355.825	4.603	5	40	FJBB	
CCn1c(SCc2cccc([N+](=O)[O-])c2C)nnc1-c1ccccc1C	40127760	NUBQFWXLGDDQSW-UHFFFAOYSA-N	368.462	4.782	5	40	FJBB	
Cc1ccc(-c2nn3c(=O)c4ccccc4nc3c3ccccc23)cc1C	719324	HFRXCEJNQBEMNW-UHFFFAOYSA-N	351.409	4.680	5	40	FJBB	
CCCCc1ccc(NC(=O)CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1	3342766	UFSFVTGMNJGDJS-UHFFFAOYSA-N	361.829	4.641	5	40	FJBB	
CCc1cccc2c(C(=O)COc3ccc([N+](=O)[O-])cc3Cl)c[nH]c12	3397909	CZNCAWZAYSMOAZ-UHFFFAOYSA-N	358.781	4.554	5	40	FJBB	
COc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1	6762239	DFGAPWYOGOQIFF-UHFFFAOYSA-N	372.764	4.769	5	40	FJBB	
Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	7889432	NTTFFXVPXXBXMR-NRFANRHFSA-N	373.412	4.670	5	40	FJBB	
O=C(Nc1ccc(OC2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl	13649578	CAWMJPBJTUPAQU-UHFFFAOYSA-N	360.797	4.822	5	40	FJBB	
Cc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1[N+](=O)[O-]	409133877	URHGEAMUYPGWAC-MHWRWJLKSA-N	360.435	4.520	5	40	FJBB	
CSc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-]	6248938	LTHHJDWKHNARJK-UHFFFAOYSA-N	371.462	4.559	5	40	FJBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccc(Cl)cc2)CCCC1	3224324	CRQZUROEKGAVGW-UHFFFAOYSA-N	359.809	4.803	5	40	FJBB	
Cc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c(C)n1C1CCCCC1	15554708	CJUXZAGYUSPWDY-UHFFFAOYSA-N	356.422	4.875	5	40	FJBB	
Cc1ccc(C(=O)Nc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1	408975265	LNINNTDCIBPREW-UHFFFAOYSA-N	352.397	4.825	5	40	FJBB	
CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc21	409197280	ALVGELGTGVEEBT-QGOAFFKASA-N	360.369	4.762	5	40	FJBB	
Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)cc1C	3187611	HLIPRSOKVWGPCW-UHFFFAOYSA-N	359.432	4.649	5	40	FJBB	
Cc1ccccc1-c1noc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1	8587061	QCSPJUMZUWVLRI-UHFFFAOYSA-N	364.405	4.611	5	40	FJBB	
Cc1nc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c(C)s1	408578796	AZKUTKQJAOIGRY-UHFFFAOYSA-N	353.403	4.587	5	40	FJBB	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1Oc1ccccc1	4118160	FJUUDUATUIEGPV-UHFFFAOYSA-N	352.321	4.779	5	40	FJBB	
O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1cccc([N+](=O)[O-])c1	4330829	LEGDELBTJAMOMM-UHFFFAOYSA-N	368.201	4.764	5	40	FJBB	
Cc1cc(OCCCC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1Cl	5825089	DNRJSVBOPPOHHK-UHFFFAOYSA-N	362.813	4.663	5	40	FJBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	14665181	FHQMIRVQRCDAHM-AWEZNQCLSA-N	356.422	4.607	5	40	FJBB	
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(F)c1	57315707	RLHWPIMJMZHOOQ-PKNBQFBNSA-N	352.321	4.646	5	40	FJBB	
O=C(Nc1ccc(Cl)c(Cl)c1)C1(c2ccc([N+](=O)[O-])cc2)CC1	225991099	NMTUSCIJNSKWOR-UHFFFAOYSA-N	351.189	4.572	5	40	FJBB	
O=C(OCc1cccc([N+](=O)[O-])c1)C1c2ccccc2Oc2ccccc21	3316724	HMYGJFPWZRVMIY-UHFFFAOYSA-N	361.353	4.576	5	40	FJBB	
CC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2	223015732	MDTBFKXETPBLOB-IBGZPJMESA-N	352.434	4.663	5	40	FJBB	
C[C@H]1Cc2ccccc2N1C(=S)Nc1cc2ncccc2c2cccnc12	408976765	SBCJVBGTGIVRPL-AWEZNQCLSA-N	370.481	4.931	5	40	FJBB	
O=[N+]([O-])c1cc(-c2ncc(C(F)(F)F)cc2Cl)cc(Cl)c1O	8873167	JNDVPPGGEIGZLD-UHFFFAOYSA-N	353.083	4.688	5	40	FJBB	
C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2S1	12857976	KAKMAANZEABWER-NSHDSACASA-N	362.838	4.779	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	80344900	LPXDINYWUXJJPY-LSDHHAIUSA-N	351.189	4.644	5	40	FJBB	
C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)CCCC2	60959861	ZUXSEKSYLVVPDP-GFCCVEGCSA-N	358.825	4.618	5	40	FJBB	
Cc1ccc(C)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)c1	4069872	ADBJJPMRFWLBOK-UHFFFAOYSA-N	359.432	4.649	5	40	FJBB	
CCOc1cccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)c1OC	6831943	RJFCNDQAIXRBMP-ACCUITESSA-N	350.374	4.721	5	40	FJBB	
Cc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1	14577297	YITOWCMYYRZJSV-OAQYLSRUSA-N	360.413	4.731	5	40	FJBB	
CCN(CC)C(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1	408994812	JMWCQVFDUOTIII-UHFFFAOYSA-N	350.447	4.871	5	40	FJBB	
Cc1cc(C)cc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1	6404258	METLCADSTXIOJS-UHFFFAOYSA-N	353.403	4.587	5	40	FJBB	
Cc1c(NC(=O)c2ccc(CN3CCCCCC3)cc2)cccc1[N+](=O)[O-]	38860233	LQLYRPJWXJSDAQ-UHFFFAOYSA-N	367.449	4.532	5	40	FJBB	
O=[N+]([O-])c1ccc(N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(Cl)c1	84452242	FVDKACGCBZSRFC-GOSISDBHSA-N	360.797	4.583	5	40	FJBB	
COc1cccc(C(=O)Nc2ccc3sc4ccccc4c(=O)c3c2)c1	4520561	SRKVHMKVHCTOBM-UHFFFAOYSA-N	361.422	4.676	5	40	FJBB	
Cc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-]	6557991	DXINNPMMBHCJSG-MDWZMJQESA-N	354.387	4.528	5	40	FJBB	
COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@@H]2c1ccc([N+](=O)[O-])cc1	6668164	MXJZASFYLXWVPX-WHSLLNHNSA-N	369.417	4.758	5	40	FJBB	
Cc1cc(C)cc(-c2nnc(SCc3cccc([N+](=O)[O-])c3C)o2)c1	40127676	ZGEHAWNVQSKNJD-UHFFFAOYSA-N	355.419	4.862	5	40	FJBB	
CC(C)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	5944960	OKDNPDQTQQREMG-UHFFFAOYSA-N	353.422	4.571	5	40	FJBB	
Cc1cc(-c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])o2)c([N+](=O)[O-])cc1C	6280582	SSYLXUIHDNVFDK-FNORWQNLSA-N	369.333	4.847	5	40	FJBB	
O=[N+]([O-])c1ccc2oc(-c3ccccc3)c(I)c2c1	26897182	CASPTRVLSVZJOT-UHFFFAOYSA-N	365.126	4.613	5	40	FJBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1ccc(Cl)c(Cl)c1	3360026	DMZJKILRAWGPDQ-XBXARRHUSA-N	352.173	4.658	5	40	FJBB	
CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc([N+](=O)[O-])c2)N3)C1	4545411	CLRHKFSHHLVFEE-QFYYESIMSA-N	357.435	4.600	5	40	FJBB	
O=[N+]([O-])c1cc(C23CC4CC(CC(C4)C2)C3)ccc1-c1ccc(CO)o1	226302664	FGPIINXSROPWJF-UHFFFAOYSA-N	353.418	4.815	5	40	FJBB	
CCn1c2ccccc2c(=O)c2c1nc(CC(C)C)n1c3ccccc3nc21	5347266	MVSUNKTVSNNERU-UHFFFAOYSA-N	370.456	4.569	5	40	FJBB	
O=[N+]([O-])c1cccc([C@H]2N=C(O)c3c(-c4ccccc4)csc3N2)c1	4571742	YSPUMRWPWUXGSU-INIZCTEOSA-N	351.387	4.752	5	40	FJBB	
O=[N+]([O-])c1cc(CSc2nccn2-c2cccc(Cl)c2)cs1	84368183	OZMLIBRSLWTUDL-UHFFFAOYSA-N	351.840	4.788	5	40	FJBB	
CC(C)(C)c1ccc(C2(C(=O)Nc3cc([N+](=O)[O-])c(F)cc3F)CC2)cc1	95948833	ANYYINHYPYCQOY-UHFFFAOYSA-N	374.387	4.841	5	40	FJBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1Cl	1499374	RYZBSMPNOSGTHD-QPJJXVBHSA-N	370.714	4.919	5	40	FJBB	
CN1c2ccccc2C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21	5334790	ZEFTXDHGNFMVNB-LJQANCHMSA-N	373.412	4.641	5	40	FJBB	
COc1cc([N+](=O)[O-])c2nc(Nc3nc4cc(C)c(C)cc4o3)sc2c1	57352587	NUKSNKGCKAIVAH-UHFFFAOYSA-N	370.390	4.715	5	40	FJBB	
O=C(O)c1cc(/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc12	6650758	GPWMTGQQBBWVFD-FNORWQNLSA-N	354.749	4.665	5	40	FJBB	
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(CCc2ccccc2)CC1	12762320	ADBUQCUOSZYSKO-UHFFFAOYSA-N	372.852	4.733	5	40	FJBB	
Cc1c(CSc2nnc(-c3ccc(Cl)cc3)n2C)cccc1[N+](=O)[O-]	40122875	GGMVLFONIRTIEE-UHFFFAOYSA-N	374.853	4.644	5	40	FJBB	
CCOc1ccc(NC(=S)Nc2cc3cccnc3c3cccnc23)cc1	104347644	FHEHIPMURGFVAO-UHFFFAOYSA-N	374.469	4.991	5	40	FJBB	
COc1cc2c(ccc3cc4cccc[n+]4cc32)c(Br)c1OC	1727452	NDTLXBUNMAOJOH-UHFFFAOYSA-N	369.238	4.511	5	40	FJBB	
CC(=O)c1ccc(NC(=O)Nc2cc3ccncc3c3ncccc23)cc1	6159092	CRAOHSFYBJZXAP-UHFFFAOYSA-N	356.385	4.630	5	40	FJBB	
CSc1ccc(C(=O)O[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-]	7737490	AVFUWRNEATYPNM-NSHDSACASA-N	357.387	4.981	5	40	FJBB	
Cc1nc(-c2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)cs1	23135729	DTPPXASHHZTKNG-UHFFFAOYSA-N	373.821	4.932	5	40	FJBB	
O=c1c2ccccc2oc2nc(C3CCCCC3)n(-c3ccccc3)c(=O)c12	2210048	ZCBPQOZXIAVUJW-UHFFFAOYSA-N	372.424	4.540	5	40	FJBB	
O=C(Nc1ccc2ncsc2c1)c1cc2cc([N+](=O)[O-])ccc2s1	10217242	LSESZEQQIPRENN-UHFFFAOYSA-N	355.400	4.672	5	40	FJBB	
O=C(CSc1nc2ccccc2c2ccccc12)NCc1ccccc1	12139484	PIWIEBUOKQXRIL-UHFFFAOYSA-N	358.466	4.797	5	40	FJBB	
O=C(Nc1cccc(OC2CCCC2)c1)c1ccc([N+](=O)[O-])cc1Cl	29028335	VVWRDWWJIQDBKJ-UHFFFAOYSA-N	360.797	4.822	5	40	FJBB	
CCC1(CC)C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2O1	225601592	TWWKOOALLMFYIR-QGZVFWFLSA-N	368.433	4.716	5	40	FJBB	
Cc1ccc(C(=O)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1	408978395	ZGZODMDIUQRXEU-UHFFFAOYSA-N	353.381	4.792	5	40	FJBB	
O=[N+]([O-])c1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)c(Cl)c1	14307342	JLSFYYRCNQRDJJ-UHFFFAOYSA-N	356.813	4.509	5	40	FJBB	
O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	247316481	KIYLZWYXEGUEGB-CQTZQYROSA-N	364.401	4.590	5	40	FJBB	
O=[N+]([O-])c1ccc(NCc2cccc(OCc3cccc(F)c3)c2)cc1	408610672	RIBPVRFBLVSBCH-UHFFFAOYSA-N	352.365	4.925	5	40	FJBB	
C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C12CC3CC(CC(C3)C1)C2	5919605	QVBNDJBKPQCLCN-NZWMYCLXSA-N	362.857	4.583	5	40	FJBB	
Cc1ccc(NC(=O)CCSc2ccccc2Cl)cc1[N+](=O)[O-]	2623458	FCNFIOJTHABRMC-UHFFFAOYSA-N	350.827	4.678	5	40	FJBB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)cc(Cl)c1	7093825	KMUQWIXJRIJLMW-UHFFFAOYSA-N	371.245	4.774	5	40	FJBB	
Cc1c(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-]	21595651	HUAUJXRKNMPMFS-UHFFFAOYSA-N	370.449	4.997	5	40	FJBB	
O=[N+]([O-])c1ccc2nc(-c3cccnc3)n(-c3cccc(Cl)c3)c2c1	30836244	KTMZXRQMMOMVFK-UHFFFAOYSA-N	350.765	4.649	5	40	FJBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccc3ccccc23)c([N+](=O)[O-])c1	100066722	ZSNMVMORHNSCLD-CMDGGOBGSA-N	365.301	4.735	5	40	FJBB	
O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc(Cl)cc1	3319792	XYNBEHXIGPUGQB-UHFFFAOYSA-N	364.784	4.957	5	40	FJBB	
CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1	5219120	GRPZEOFRPMQRPB-JOCHJYFZSA-N	370.412	4.998	5	40	FJBB	
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1	5309425	WZNPMULAFNOBME-UHFFFAOYSA-N	374.853	4.819	5	40	FJBB	
Cc1ccc([C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	20040245	VGQAWQKVCOUXMN-UUFSLDAJSA-N	372.424	4.822	5	40	FJBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1	80344897	LPXDINYWUXJJPY-CABCVRRESA-N	351.189	4.644	5	40	FJBB	
O=[N+]([O-])c1ccc2nc(SCCOc3ccccc3F)sc2c1	7797840	HKGDEEBADSQFHJ-UHFFFAOYSA-N	350.396	4.515	5	40	FJBB	
CC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1	408628795	ALVRCINZDVRAJM-UHFFFAOYSA-N	373.840	4.737	5	40	FJBB	
Cc1ccc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1[N+](=O)[O-]	29848020	FHQRIGLNDABXQC-NRFANRHFSA-N	372.424	4.691	5	40	FJBB	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]1C1CCCCC1	58030028	WZDOJJMRUAJVPV-RDTXWAMCSA-N	362.495	4.647	5	40	FJBB	
Cc1cc(C)cc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)c1	2118952	AGPFEUXFJRCWEG-UHFFFAOYSA-N	357.409	4.920	5	40	FJBB	biogenic
O=[N+]([O-])[C@H](c1ccccc1)C(c1ccccc1)[C@H](c1ccccc1)[N+](=O)[O-]	17128592	OLODMNOGGBANQB-SEJPIABJSA-N	362.385	4.806	5	40	FJBB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc2ccc(Cl)cc2s1	1500217	CWUGNFXPHFKERW-FPYGCLRLSA-N	359.794	4.510	5	40	FJBB	
O=C(CCCSc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1	6405901	MHQFHZVUNGHEDW-UHFFFAOYSA-N	350.827	4.759	5	40	FJBB	
CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1	225536129	BTTIDMFBIQNBRQ-UHFFFAOYSA-N	368.433	4.834	5	40	FJBB	
O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1[N+](=O)[O-]	841518	WDDLFFNESRTDJR-UHFFFAOYSA-N	359.341	4.655	5	40	FJBB	
C[C@H]([C@@H](c1ccc(Br)cc1)c1ccccc1Cl)[N+](=O)[O-]	1755187	DFJVKHSHTGUZAZ-BMIGLBTASA-N	354.631	4.900	5	40	FJBB	
CCc1ccccc1N1COc2ccc3c(oc(=O)c4ccccc43)c2C1	2159963	SIKZIUUZWUFYQP-UHFFFAOYSA-N	357.409	4.865	5	40	FJBB	biogenic
O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(OCc2ccccc2)cc1	6597288	RFYFVFRZFKNRGB-UHFFFAOYSA-N	363.369	4.531	5	40	FJBB	
O=C(Nc1ccc(Cl)cc1Cl)c1cc(Cl)cc([N+](=O)[O-])c1O	3151759	PNUGTUCSLJEBCI-UHFFFAOYSA-N	361.568	4.513	5	40	FJBB	
O=[N+]([O-])c1cc(F)c(CNC2(c3cccc(Cl)c3)CCC2)c(F)c1	1307868304	BVOBIBWIEORSBV-UHFFFAOYSA-N	352.768	4.695	5	40	FJBB	
O=[N+]([O-])c1ccc(SCc2ccc(Br)cc2)c([N+](=O)[O-])c1	1704642	XAUHWVPGZZMXDG-UHFFFAOYSA-N	369.196	4.558	5	40	FJBB	
Cc1cc(C)c2c(n1)sc1c2nnc2c(=O)oc3cc4c(cc3c21)CCC4	11865376	XXXNFCJSPULVII-UHFFFAOYSA-N	373.437	4.605	5	40	FJBB	biogenic
O=C(Nc1ccccc1F)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408618764	GKCSQIAEOINBHE-UHFFFAOYSA-N	360.728	4.900	5	40	FJBB	
COP(=O)(OC)[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	5511820	FNBWDMBJUOFJHJ-OAHLLOKOSA-N	370.729	4.845	5	40	FJBB	
C[C@@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)c1ccc([N+](=O)[O-])cn1	12527865	HXPFABFHAZSZPG-HNNXBMFYSA-N	373.416	4.526	5	40	FJBB	
O=[N+]([O-])c1ccc(OCc2ccccc2)c(/C=C2\SC(=S)N=C2O)c1	13943506	IWDJRWLCTMCPEA-DHDCSXOGSA-N	372.427	4.503	5	40	FJBB