smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Nc1cccc(O)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1	587249635	GXTLVGWKWRYSSR-UHFFFAOYSA-N	327.347	3.614	5	1	EHBF	
CC(=O)c1c(C(F)(F)Br)[nH]c2cccc([N+](=O)[O-])c12	587645429	UNBPOQAUKSRIJU-UHFFFAOYSA-N	333.088	3.723	5	1	EHBF	
O=[N+]([O-])c1ccc(C2=NN[C@@H](c3ccc(Br)cc3)C2)cc1	98085540	UDPSBKYSVRAFIW-CQSZACIVSA-N	346.184	3.796	5	1	EHBF	
C[C@](O)(c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1)C(F)(F)F	28818417	SNDIGVULHIVTLY-JTQLQIEISA-N	342.195	3.865	5	1	EHBF	
NC(=O)c1cccc2c1nc(Nc1ccccc1F)c1ccncc12	73159425	WSADVDPLODZOTP-UHFFFAOYSA-N	332.338	3.765	5	1	EHBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Cl)c(F)c(F)c2[nH]1	587268003	VMHFBEFAISJCIQ-LURJTMIESA-N	341.705	3.517	5	1	EHBF	
O=C1NC(=O)c2c1c1c3ccccc3ncc1c1[nH]c3ccccc3c21	1492371	FDDWJAAHNNZHEP-UHFFFAOYSA-N	337.338	3.906	5	1	EHBF	
O=[N+]([O-])c1ccc(O[C@H]2CCc3ccccc3[C@@H]2n2ccnc2)cc1	66098944	FLWRTGZVRBJUOK-OALUTQOASA-N	335.363	3.775	5	1	EHBF	
CSc1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1	587270694	QPOLXVRTLSYUEA-UHFFFAOYSA-N	343.364	3.585	5	1	EHBF	
COc1ccc(OCC(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1	587280044	ZDVCNWZIDKIBSL-UHFFFAOYSA-N	327.292	3.611	5	1	EHBF	
COc1nn(CCCCCN2CCCCC2)c2ccc([N+](=O)[O-])cc12	40980187	RDUFYRBYCSZPSY-UHFFFAOYSA-N	346.431	3.609	5	1	EHBF	
COC(=O)c1c2ccn(CCCN)cc2c(C)c2c1nc1ccccc12	136546570	UERNYQMCECNHRD-UHFFFAOYSA-N	347.418	3.787	5	1	EHBF	
CN(C)CC[C@H]1C(=O)c2cccc3c(N)c4ccccc4c(c23)C1=O	49932137	DCIRJNXFRSTMKD-INIZCTEOSA-N	332.403	3.522	5	1	EHBF	
COc1ccc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)cc1	587647077	OVNXGUPNRPQJPF-UHFFFAOYSA-N	325.324	3.645	5	1	EHBF	
O=C(c1cncc(Br)c1)c1coc2cc([N+](=O)[O-])ccc12	587279578	MASBAEOUHPYIMH-UHFFFAOYSA-N	347.124	3.730	5	1	EHBF	
O=C(c1ccc(SCc2cccnc2)c([N+](=O)[O-])c1)N1CCCC1	257361	DUYHZAMDDKWLOI-UHFFFAOYSA-N	343.408	3.518	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@H](c1cc(O)ccc1[N+](=O)[O-])CC2=O	587473706	ZWIVCLACMFSCAS-KRWDZBQOSA-N	343.335	3.665	5	1	EHBF	
CC(=O)Oc1c(-c2ccc(F)cc2F)[nH]c2cc([N+](=O)[O-])ccc12	587646095	SWPSJTXISQEDMO-UHFFFAOYSA-N	332.262	3.947	5	1	EHBF	
COc1ccc(/C=C\Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c(OC)c1	587928594	FLKRBFYWHIVWIO-ARJAWSKDSA-N	339.351	3.744	5	1	EHBF	
COc1ccc(/C=C\Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c(OC)c1	587929634	OFNLZBROQJNTGU-HYXAFXHYSA-N	339.351	3.744	5	1	EHBF	
O[C@H]1c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@H]2O[C@H]2[C@@H]1O	195434538	LBOOERJKINPNNR-CBPXPLCBSA-N	328.367	3.994	5	1	EHBF	
CC(=O)Nc1cccc(C(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c1	587647145	RUSIWTYBFWGXAR-UHFFFAOYSA-N	337.335	3.574	5	1	EHBF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)N1	962938976	AZIYIGHBNIGIKC-ORAYPTAESA-N	349.390	3.924	5	1	EHBF	
CC1(C)OC(=O)C(c2nc3c4ccccc4c4ccccc4c3[nH]2)=C1N	587254984	AZKLLPZZFLGIQJ-UHFFFAOYSA-N	343.386	3.875	5	1	EHBF	
COc1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cn1	587265147	OTIFGNLNWZHDKU-UHFFFAOYSA-N	336.307	3.802	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3cccc(Nc4ccc(O)cc4)c3)nc2c1	587242505	NMMYMGBLBZQXJS-UHFFFAOYSA-N	347.334	3.982	5	1	EHBF	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cncnc2[nH]1	586972307	GYVACCFFMOLUHZ-UHFFFAOYSA-N	329.385	3.676	5	1	EHBF	
Cc1ncc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(C)c1Br	586978916	CMCJNRNPRYSDIA-UHFFFAOYSA-N	347.172	3.912	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cc([N+](=O)[O-])ccc3n1)O2	587388604	DNNDQYVRHYOMHZ-SFHVURJKSA-N	349.346	3.740	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@@](C)(c1ncccc1[N+](=O)[O-])CC2=O	587468697	CSTIIYMWBITOOZ-GOSISDBHSA-N	342.351	3.529	5	1	EHBF	
O=C(O)c1ccccc1N=c1[nH]c(-c2cccc([N+](=O)[O-])c2)cs1	1857587531	RPLBKHIWZHPCGW-UHFFFAOYSA-N	341.348	3.582	5	1	EHBF	
COc1cccc2c(=O)c3c(O)c(CC=C(C)C)c(O)cc3n(C)c12	14819116	YZJSPCJOYGREGX-UHFFFAOYSA-N	339.391	3.620	5	1	EHBF	biogenic
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc([N+](=O)[O-])c1O)O2	587378851	QUYAQYHSHZJHDO-AWEZNQCLSA-N	348.742	3.551	5	1	EHBF	
C[C@H](CCC(=O)O)Cc1nc2c3cccnc3c3ncccc3c2[nH]1	587962902	KPPDFWWPCJDGLY-LLVKDONJSA-N	334.379	3.703	5	1	EHBF	
CN(C)Cc1ccnc(-c2cccc(Nc3[nH]ccc3[N+](=O)[O-])c2)c1	100047826	PYCFDUKKBNGLNC-UHFFFAOYSA-N	337.383	3.790	5	1	EHBF	
C[C@@H](CSc1ccc(F)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1	587171887	UOQODDMYHWJLIB-VIFPVBQESA-N	332.360	3.901	5	1	EHBF	
COc1cc(OC)c2c(=O)c3cc(Br)ccc3oc2c1	1772622320	RTTZLAXXVYETEC-UHFFFAOYSA-N	335.153	3.726	5	1	EHBF	
C/C=C1/C[N+]2(C)CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1CCO	138934963	XTFZJJWVMDWXED-YXZNFRGUSA-N	341.475	3.569	5	1	EHBF	
COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CC(=O)O)cc1F	587645978	PHPGMODWMJKZSI-UHFFFAOYSA-N	344.298	3.518	5	1	EHBF	
Cc1c(C)c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2oc1=O	13835590	LJJMTUBXYXGLKI-UHFFFAOYSA-N	325.320	3.897	5	1	EHBF	
C[C@@H](COc1ccccc1)OC(=S)Nc1ccc([N+](=O)[O-])cc1	40895744	QHWNTOXUGKPRCN-LBPRGKRZSA-N	332.381	3.776	5	1	EHBF	
O=[N+]([O-])c1ccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)cc1	49784936	GARDWGOCKJCKJY-JGGQBBKZSA-N	329.787	3.918	5	1	EHBF	
Cc1nc2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c2cc1Br	587268795	KODOAYJZKLESMJ-UHFFFAOYSA-N	337.133	3.505	5	1	EHBF	
COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](C2)C3=O	587419373	CPUQDLIQZBGMMO-APPDUMDISA-N	345.738	3.746	5	1	EHBF	
O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2sc3ccccc3c21	2492684	QJHBWEULMDKXEA-CQSZACIVSA-N	325.349	3.664	5	1	EHBF	
O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cnncc4[nH]3)cc2)cc1	587272454	SYNVSMJMWXUUCR-UHFFFAOYSA-N	333.307	3.720	5	1	EHBF	
CN(C)CCCN1c2ccccc2CCc2ccc([N+](=O)[O-])cc21	1660227	GNHRFXUIAFBFNS-UHFFFAOYSA-N	325.412	3.783	5	1	EHBF	
C[C@@H]1CCCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C1	28960220	GAKBUDJFUFUSED-GFCCVEGCSA-N	329.356	3.676	5	1	EHBF	
N[C@@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccccc1Cl	587057890	SLPHYTUNIAYVGO-NSHDSACASA-N	334.738	3.506	5	1	EHBF	
C[C@@H](CSc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587171504	NIZBHHCZVYUJAK-VIFPVBQESA-N	332.360	3.901	5	1	EHBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1	587267648	OKRHFMPCLAIIKU-SSDOTTSWSA-N	340.170	3.892	5	1	EHBF	
O=C(c1ccncc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12	587645268	NMKUNBBRESGYAW-UHFFFAOYSA-N	335.241	3.721	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2c1	587060694	MDBJQOKRWHXPOO-UHFFFAOYSA-N	341.714	3.842	5	1	EHBF	
O=C(c1cccnc1)c1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12	587649411	UQCYIWDWDWKOGV-UHFFFAOYSA-N	344.330	3.764	5	1	EHBF	
Cc1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cccc1[N+](=O)[O-]	587260834	IBTBGMHUHAWNCB-UHFFFAOYSA-N	333.250	3.768	5	1	EHBF	
Cc1oc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1[N+](=O)[O-]	587269122	QGRWTWSFCQKKOE-UHFFFAOYSA-N	340.108	3.941	5	1	EHBF	
O=C(O)c1[nH]c2cc([N+](=O)[O-])ccc2c1-c1cnn(-c2ccccc2)c1	587647810	QHBAOIFARRNMBE-UHFFFAOYSA-N	348.318	3.627	5	1	EHBF	
COc1ccc2c(c1)C[C@@H](c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)CC2	587937126	IRMYFAGVUHRLFO-NSHDSACASA-N	341.342	3.891	5	1	EHBF	
O=[N+]([O-])c1cccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12	587091374	FECUSWPJVOKHMG-UHFFFAOYSA-N	326.234	3.621	5	1	EHBF	
Cc1nn(C)c2nc3cc4ccccc4cc3c(NCCCN(C)C)c12	169330793	JFGNNTFHQDWCQS-UHFFFAOYSA-N	347.466	3.947	5	1	EHBF	
COCCOc1ccc(-c2nc3c(C)ccc(C)c3[nH]2)cc1[N+](=O)[O-]	587264720	IILSSKLPDWAXEW-UHFFFAOYSA-N	341.367	3.780	5	1	EHBF	
O=[N+]([O-])c1ccc2nc(-c3ccc(Br)cc3)n(O)c2c1	28957167	UUSTXIRBHDOIGM-UHFFFAOYSA-N	334.129	3.611	5	1	EHBF	
CC(C)Oc1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1	587269330	ARJRYROMWZCNFS-HNNXBMFYSA-N	340.383	3.501	5	1	EHBF	
CNc1ccc(OC)cc1-c1nc2cc3ccccc3cc2[nH]c1=O	27706481	HJCXGKQQZONUTP-UHFFFAOYSA-N	331.375	3.794	5	1	EHBF	
Cc1ccnc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc12	587109695	MCWFZNZEZAUEKY-UHFFFAOYSA-N	336.273	3.784	5	1	EHBF	
COc1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc(OC)c1O	587785765	ONLTVVRJGVYVFV-UHFFFAOYSA-N	349.730	3.514	5	1	EHBF	
CNc1nc(C)c(-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)s1	13559874	AXAQVNRYNMCZCK-UHFFFAOYSA-N	342.384	3.602	5	1	EHBF	
COc1ccc2sc3c(C)ccc(NCCN(C)C)c3c(=O)c2c1	5390396	HHZJJWQGYYHMAK-UHFFFAOYSA-N	342.464	3.705	5	1	EHBF	
C[C@H](CCn1ccnc1)Oc1ccc([N+](=O)[O-])cc1C(F)(F)F	45347937	LGVNISJKFFJTJH-SNVBAGLBSA-N	329.278	3.668	5	1	EHBF	
O=[N+]([O-])c1ccc2nc(CNc3ccc(Br)cc3)[nH]c2c1	7049033	XBGIYVNHGIQBQC-UHFFFAOYSA-N	347.172	3.846	5	1	EHBF	
O=C(O)c1ccccc1/C=C\c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586881719	IAJVWKYWRZJBOM-WAYWQWQTSA-N	343.726	3.993	5	1	EHBF	
O=[N+]([O-])c1ccccc1CSc1nnc2c(n1)[nH]c1ccccc12	7798198	NIJADCSGFNKVBY-UHFFFAOYSA-N	337.364	3.707	5	1	EHBF	
C[C@@H](CCn1ccnc1)Oc1ccc([N+](=O)[O-])cc1C(F)(F)F	45347934	LGVNISJKFFJTJH-JTQLQIEISA-N	329.278	3.668	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1[N+](=O)[O-]	586893879	ZBWLVDITKJOEDJ-IJZKUYQOSA-N	342.355	3.847	5	1	EHBF	
COc1ccc2nc(-c3nc4c([N+](=O)[O-])cccc4[nH]3)sc2c1	587035880	VMJCUHHPJNHOEK-UHFFFAOYSA-N	326.337	3.756	5	1	EHBF	
Cc1cncc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12	587270388	NGTGNLHFOHPITG-UHFFFAOYSA-N	331.335	3.904	5	1	EHBF	
O=C(c1ccc([N+](=O)[O-])cc1F)c1coc2cc([N+](=O)[O-])ccc12	587280141	KXRUIIVBYVFJLF-UHFFFAOYSA-N	330.227	3.619	5	1	EHBF	
Cc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3)o2)c(O)c1	84616649	AWXYBFPWNCNHDV-UHFFFAOYSA-N	343.364	3.951	5	1	EHBF	
CC[N@+]1(C)CCC[C@@H](OCC(O)(c2ccccc2)c2ccccc2)C1	299818100	BHFHFYHGVIXFLC-FYYLOGMGSA-N	340.487	3.568	5	1	EHBF	
COc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cn1	587047292	FGOLFZAVMZOAEZ-HYXAFXHYSA-N	330.731	3.699	5	1	EHBF	
CCn1ncc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)c1C	587646588	WIEZNJHYKGYNQN-UHFFFAOYSA-N	348.309	3.716	5	1	EHBF	
O=C(NCc1ccc(-c2cccs2)s1)c1ccc([N+](=O)[O-])o1	1039548	DTKSDUIENNKOST-UHFFFAOYSA-N	334.378	3.908	5	1	EHBF	
CCCCNc1nc(Nc2ccc3[nH]ccc3c2)ncc1[N+](=O)[O-]	64527812	NUJFHWBBVAJFRH-UHFFFAOYSA-N	326.360	3.822	5	1	EHBF	
CN1CC[C@@H](c2c[nH]c3ccc(Nc4ncccc4[N+](=O)[O-])cc23)C1	3793349	GKTWNPQNDWIPDK-GFCCVEGCSA-N	337.383	3.634	5	1	EHBF	
CN(C(=O)c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-]	45167348	BZZWYWYVSDNSCO-UHFFFAOYSA-N	335.157	3.634	5	1	EHBF	
COc1ccc2sc3ccc4[nH]c(C(=O)O)cc(=O)c4c3c2c1	169319397	FMKYOHAIEVIIJT-UHFFFAOYSA-N	325.345	3.603	5	1	EHBF	
Cn1cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(C(F)(F)F)c1	587111988	JHDAFXZNVYUNPF-UHFFFAOYSA-N	328.225	3.635	5	1	EHBF	
O=[N+]([O-])c1ccc(OCc2nc3cc(Cl)cc(F)c3[nH]2)cc1F	587148816	LHRNGQKZVIGZSU-UHFFFAOYSA-N	339.685	3.982	5	1	EHBF	
CCN(CC)C(=O)c1ccc(SCc2ccncc2)c([N+](=O)[O-])c1	257393	IATAUIAVDVLRCG-UHFFFAOYSA-N	345.424	3.764	5	1	EHBF	
O=[N+]([O-])c1cc(-c2n[nH]c(O)c2C2=NCCC2)c(Cl)cc1Cl	103571378	LKUNPWVDUHGLQA-UHFFFAOYSA-N	341.154	3.580	5	1	EHBF	
COc1c(O)ccc2c(=O)c3c(O)c(CC=C(C)C)c(O)cc3oc12	14763041	HYBKBBVYRCBCKS-UHFFFAOYSA-N	342.347	3.580	5	1	EHBF	biogenic
COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CC(=O)O)cc1F	587645850	MHDKVFYPCBFPME-UHFFFAOYSA-N	344.298	3.518	5	1	EHBF	
Cc1nc(Br)sc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1	587012490	YHJMRENYMSCFAS-UHFFFAOYSA-N	339.174	3.666	5	1	EHBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O	1857764123	JBAVFVKIGRGNEF-JTQLQIEISA-N	326.308	3.580	5	1	EHBF	
CN1CC[C@H](c2c[nH]c3ccc(Nc4ncccc4[N+](=O)[O-])cc23)C1	13738108	GKTWNPQNDWIPDK-LBPRGKRZSA-N	337.383	3.634	5	1	EHBF	
CCOc1ccccc1OCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587779877	IBLWMTJBBCDGLH-UHFFFAOYSA-N	331.303	3.588	5	1	EHBF	
COc1c(O)c(CC=C(C)C)cc2c(=O)c3c(O)cccc3oc12	14819779	KAGMDUVDNXNTNK-UHFFFAOYSA-N	326.348	3.875	5	1	EHBF	biogenic,in-vitro
Cc1cc2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2c(C)n1	587137432	ZUUAEAROBRWYBY-UHFFFAOYSA-N	343.362	3.567	5	1	EHBF	
COc1cc(OCc2nc3cc(C)cc(F)c3[nH]2)ccc1[N+](=O)[O-]	587263615	WVRMPQUVPCLANQ-UHFFFAOYSA-N	331.303	3.506	5	1	EHBF	
O=[N+]([O-])c1cccc(CCc2nc3c(Cl)cnc(Cl)c3[nH]2)c1	587270919	XDBOEGUWYFPANW-UHFFFAOYSA-N	337.166	3.958	5	1	EHBF	
COc1c(CC[C@@H](C)C(=O)O)ccc2c(=O)c3ccccc3oc12	14693251	XCWHZYQHZCFGTC-LLVKDONJSA-N	326.348	3.608	5	1	EHBF	biogenic
CN(C)CCNc1nc2c3ccc(O)cc3ccc2c2ccc(O)cc12	13600444	XJIUDRAVARBETA-UHFFFAOYSA-N	347.418	3.926	5	1	EHBF	
O=[N+]([O-])c1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1F	587127158	SYOUTDBWXHYURL-UHFFFAOYSA-N	347.268	3.550	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)cc1[N+](=O)[O-])O2	587385712	PJKFGJKDDHHBFF-QGZVFWFLSA-N	330.315	3.505	5	1	EHBF	
O=[N+]([O-])c1ccc(-n2nc3c(c2O)CSc2ccccc2-3)cc1	101481745	XQHLYIMTWYSZRW-UHFFFAOYSA-N	325.349	3.759	5	1	EHBF	
O=C1NC(=O)c2c1c1c[nH]c3cccc(c4[nH]c5ccccc5c24)c31	8603	SDDJRYXFBVEODB-UHFFFAOYSA-N	325.327	3.839	5	1	EHBF	biogenic
Cc1c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)oc2c1[C@H](O)CCC2	586905677	YLVQORXDZXTZPU-GFCCVEGCSA-N	331.303	3.548	5	1	EHBF	
Cc1c(-c2nc3cncc(C)c3[nH]2)cc(Br)cc1[N+](=O)[O-]	586980337	VKFPIPQOYZRIBI-UHFFFAOYSA-N	347.172	3.912	5	1	EHBF	
N[C@@H](Cc1ccccc1Cl)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587058145	DYNORBIFYZPPFL-NSHDSACASA-N	334.738	3.506	5	1	EHBF	
CN(C)CCNC(=O)c1cccc2cc3ccc4ccccc4c3nc12	5808491	DJCJBNWNVYNFSP-UHFFFAOYSA-N	343.430	3.833	5	1	EHBF	
CC1(C)CCc2c(ccc3c(=O)c4cccc(CC(=O)O)c4oc23)O1	27554985	TXHXONXCPOQAKJ-UHFFFAOYSA-N	338.359	3.677	5	1	EHBF	
O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)C2	586883388	BPSXAPRCHBMETI-LPEHRKFASA-N	331.759	3.763	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@H](O)c3ccccc3Cl)[nH]c2cc1Cl	587060033	YSMGNSNGESPBBV-CYBMUJFWSA-N	338.150	3.860	5	1	EHBF	
COc1cc(OCc2nc3ccc(SC)cc3[nH]2)ccc1[N+](=O)[O-]	587262703	ZNNMCLSOSACXHY-UHFFFAOYSA-N	345.380	3.781	5	1	EHBF	
Nc1nc2oc3ccc(C4=CCCCC4)cc3c(=O)c2cc1C(=O)O	1857766954	FPHLYGOPZBJDSY-UHFFFAOYSA-N	336.347	3.579	5	1	EHBF	
COc1cc2c(c3c1c(=O)c1cccc(O)c1n3C)C=CC(C)(C)O2	2356725622	RKWLOFVLACYBAH-UHFFFAOYSA-N	337.375	3.590	5	1	EHBF	
COc1cc(O)c2c(=O)c3c(C)c(Cl)c(O)c(Cl)c3oc2c1	13451808	TWBGIGMFAHQZFT-UHFFFAOYSA-N	341.146	3.981	5	1	EHBF	biogenic
Cn1c(=O)c(-c2cccs2)nc2c(Cl)c3ncccc3cc21	653749407	RSMXRWCQFNJNNG-UHFFFAOYSA-N	327.796	3.864	5	1	EHBF	
CC[C@H](C)[C@H](NC(=O)c1c2ccccc2nc2ccccc12)C(=O)O	5848702	QWXVZEKNGMKVSD-SGTLLEGYSA-N	336.391	3.617	5	1	EHBF	
Cc1oc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1[N+](=O)[O-]	587268997	PFIABIYCMGCCPJ-UHFFFAOYSA-N	327.218	3.938	5	1	EHBF	
O=C(c1ccccn1)c1c(-c2ccco2)[nH]c2cc([N+](=O)[O-])ccc12	587649065	OYAJDLPQNQBBCP-UHFFFAOYSA-N	333.303	3.962	5	1	EHBF	
CC(=O)Nc1ccc(Cl)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1	587049989	LJBMLEKDMWOBQF-UHFFFAOYSA-N	330.731	3.750	5	1	EHBF	
O=C(c1ccc([N+](=O)[O-])cc1)n1ccnc1-c1ccccc1Cl	43078061	LEDRVEZCDBPCDL-UHFFFAOYSA-N	327.727	3.800	5	1	EHBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(C)(C)C)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587263264	KYUDPBWACOEBOB-JHJVBQTASA-N	343.427	3.521	5	1	EHBF	
Cc1cc(O)c(Cl)c2oc3c(Cl)c(O)cc(O)c3c(=O)c12	6484335	UJRHTPRWGDSAJG-UHFFFAOYSA-N	327.119	3.678	5	1	EHBF	biogenic
Oc1ccc2c3c(c4cc5c(cc4c2c1)OCO5)CN1CCC[C@H]1C3	72125759	PSMOPYBBMRKITH-LBPRGKRZSA-N	333.387	3.948	5	1	EHBF	
COc1cc(CC[N+](C)(C)[O-])c2c(c1OC)[C@H]1C=CC=C[C@H]1C=C2	40864984	JXRWQIQJOZZSLA-HOCLYGCPSA-N	327.424	3.673	5	1	EHBF	
COc1cccc(C2(c3nc4cc([N+](=O)[O-])cnc4[nH]3)CCCC2)c1	587932429	FBRYMSXDUCRRMQ-UHFFFAOYSA-N	338.367	3.735	5	1	EHBF	
CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ncccc1[N+](=O)[O-]	963256197	BURTXTWBRIXKTL-AUUYWEPGSA-N	325.412	3.910	5	1	EHBF	
NCCCNCCCCNCc1c2ccccc2cc2ccccc12	13522105	AZMKWDGFHIRUEK-UHFFFAOYSA-N	335.495	3.801	5	1	EHBF	
O=C(Cc1cc(Cl)ccc1O)Nc1ccc([N+](=O)[O-])cc1Cl	1857563373	ZKQKWXGNOYDRHH-UHFFFAOYSA-N	341.150	3.788	5	1	EHBF	
COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O	587419214	KEHSZSNWNLDIQG-GUYCJALGSA-N	345.738	3.746	5	1	EHBF	
O=C1C[C@H]2c3ccc4ccccc4c3O[C@@H]2N1c1cccc([N+](=O)[O-])c1	98085252	XDNJVQXZJWNULB-PXNSSMCTSA-N	346.342	3.987	5	1	EHBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(C(C)(C)C)cc2[nH]1	587267305	IGGOAWIFUUXGMZ-LLVKDONJSA-N	327.388	3.883	5	1	EHBF	
CC(C)c1nc2cc(C(=O)O)ccc2n1-c1cccc([N+](=O)[O-])c1	1857574863	JMBVNEZBCFACBV-UHFFFAOYSA-N	325.324	3.755	5	1	EHBF	
O=c1c2ccccc2n(CCc2ccc(O)cc2)c2cccc(O)c12	64560781	JBDWBAITDXASAJ-UHFFFAOYSA-N	331.371	3.809	5	1	EHBF	
O=C(c1ccc([N+](=O)[O-])cc1)n1ccnc1-c1ccc(Cl)cc1	42921439	LEXYDKPWJYSOCZ-UHFFFAOYSA-N	327.727	3.800	5	1	EHBF	
Cc1c(-c2nc3cc(Br)cnc3[nH]2)cccc1[N+](=O)[O-]	587260773	DUBPWAXMVGUUDC-UHFFFAOYSA-N	333.145	3.604	5	1	EHBF	
C[C@@](C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)C1CCCC1	73281078	DVRRHBYHAIRKEY-OAQYLSRUSA-N	330.492	3.917	5	1	EHBF	
Cc1ncsc1-c1c[nH]cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1	587027818	HVBSHTJCGMUYHN-UHFFFAOYSA-N	325.353	3.898	5	1	EHBF	
COc1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1	587137146	PXHMFKXRIWADSD-UHFFFAOYSA-N	344.346	3.564	5	1	EHBF	
N=c1cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c[nH]1	587271980	MOSYZNBWDCWJNV-UHFFFAOYSA-N	347.334	3.738	5	1	EHBF	
O=C(c1nnc(-c2ccccc2)o1)c1coc2cc([N+](=O)[O-])ccc12	587280105	JERPDCQMFINFQE-UHFFFAOYSA-N	335.275	3.622	5	1	EHBF	
CC(C)C(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)CCCC2	101943982	FZKGSONPXMQFST-UHFFFAOYSA-N	336.391	3.815	5	1	EHBF	
O=[N+]([O-])c1ccc(-c2cc([C@H]3C[C@H]4CC[C@H]3N4)cnc2Cl)cc1	328577284	GARDWGOCKJCKJY-XNRPHZJLSA-N	329.787	3.918	5	1	EHBF	in-vitro
O=[N+]([O-])c1cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Cl	586902254	KIGAKIIXFYPMAS-ZUZCIYMTSA-N	329.743	3.694	5	1	EHBF	
CC[C@@H](C)c1nc2c(O)nc3c(OC)c(OC)cc4ccn1c2c43	299820928	JIQXKKYNVGCTCY-SECBINFHSA-N	325.368	3.710	5	1	EHBF	
NCc1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1	587247122	WFNPZIMWIKKUMZ-UHFFFAOYSA-N	325.375	3.785	5	1	EHBF	
COc1ccc(-c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c([N+](=O)[O-])c1	587647998	XOXNIGYZAOXDNN-UHFFFAOYSA-N	327.296	3.968	5	1	EHBF	
CC(=O)Nc1cc(O)c(-c2cc3c4c(cccc4n2)CC3)cc1[N+](=O)[O-]	587211875	YEZACEFYAOSNCD-UHFFFAOYSA-N	349.346	3.573	5	1	EHBF	
O=C(c1ccco1)c1c(-c2ccccn2)[nH]c2cc([N+](=O)[O-])ccc12	587648765	KRTKERZHXVUHQN-UHFFFAOYSA-N	333.303	3.962	5	1	EHBF	
COc1cc2cc(-c3ccc(OC)c([N+](=O)[O-])c3)cnc2cc1OC	3832241	VLGMJBKAKGJSMR-UHFFFAOYSA-N	340.335	3.836	5	1	EHBF	
O=[N+]([O-])c1cc(/C=C\c2nc3ccc(CO)cc3[nH]2)ccc1Cl	587048809	YSWCYYZLMQTPDG-UTCJRWHESA-N	329.743	3.787	5	1	EHBF	
COc1cc2c(=O)oc3c(C)c(O)ccc3c2cc1Br	28571796	FXBMDSKREWJJLA-UHFFFAOYSA-N	335.153	3.731	5	1	EHBF	
C[C@@H]1N=C(S)N(Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1	29336139	SOTYNBJZFCRLHP-XHDPSFHLSA-N	328.397	3.653	5	1	EHBF	
COc1cc2ncc3c(N)nc4c(C)c(O)ccc4c3c2cc1OC	14969825	KPUGQQPVGQBNCJ-UHFFFAOYSA-N	335.363	3.550	5	1	EHBF	
COC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccc1F	587645766	JQAHJAHUMJBQFQ-UHFFFAOYSA-N	328.299	3.598	5	1	EHBF	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cccc([N+](=O)[O-])c2[nH]1	587116631	JXBDYKUQYXIRBA-UHFFFAOYSA-N	345.668	3.544	5	1	EHBF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(O)ccc2[N+](=O)[O-])N1	962961210	TUMMJCZALLDYSE-NSPYISDASA-N	337.379	3.795	5	1	EHBF	
CC[C@@H](C)[C@@H](NC(=O)c1c2ccccc2nc2ccccc12)C(=O)O	5848709	QWXVZEKNGMKVSD-KZULUSFZSA-N	336.391	3.617	5	1	EHBF	
O=[N+]([O-])c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1	587076197	LFNHVRJBRMBLBB-HNNXBMFYSA-N	342.742	3.742	5	1	EHBF	
Cc1cc2nc3ccc(N(C)C)cc3[n+](-c3ccccc3)c2cc1N	5160428	ZJASYTPPMQTOOS-UHFFFAOYSA-O	329.427	3.621	5	1	EHBF	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cnncc2[nH]1	586972521	HSNUWKMRSKENBZ-UHFFFAOYSA-N	329.385	3.676	5	1	EHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc([N+](=O)[O-])cc1	587647973	WRMPFPXZTJRAAC-UHFFFAOYSA-N	340.295	3.545	5	1	EHBF	
COc1c(C)c2cc3c(c(OC)c2c2oc(C)cc(=O)c12)C(=O)CC3	2356284198	RUCZSBOHCDYPAG-UHFFFAOYSA-N	338.359	3.709	5	1	EHBF	
CCc1cc(OCc2nc3cc([N+](=O)[O-])cnc3[nH]2)ccc1Cl	587052769	LWECXHOAPZPUHN-UHFFFAOYSA-N	332.747	3.661	5	1	EHBF	
O=[N+]([O-])c1cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2cc1Cl	587176800	RZWIVOCGWSTCLQ-UHFFFAOYSA-N	331.694	3.807	5	1	EHBF	
Cc1ccc(-c2nc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)cs2)o1	587017068	RJYLOSUJJJROAZ-UHFFFAOYSA-N	327.325	3.558	5	1	EHBF	
Cc1nn(-c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c(C)c1Br	587643557	GGNNIDAZQZNOKM-UHFFFAOYSA-N	349.188	3.950	5	1	EHBF	
C[C@H]1CCCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C1	28960225	GAKBUDJFUFUSED-LBPRGKRZSA-N	329.356	3.676	5	1	EHBF	
CCOc1cc(-c2cccc(F)c2)nn1-c1ccccc1[N+](=O)[O-]	587871430	HCIQGVODQGAEDS-UHFFFAOYSA-N	327.315	3.985	5	1	EHBF	
COc1cc2ccc3c(OC)c(OC)c(OC)c4c(=O)oc(c1)c2c34	238780458	LOSQCXZNZOIDEA-UHFFFAOYSA-N	340.331	3.572	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12	587085582	VGBLPRCOOWRQCE-UHFFFAOYSA-N	325.715	3.735	5	1	EHBF	
C[C@@H]1C(=O)CC[C@H]1Cc1nc2c3cccnc3c3ncccc3c2[nH]1	587963243	LXCVLWFDMKLLAK-RYUDHWBXSA-N	330.391	3.817	5	1	EHBF	
COc1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(C(F)(F)F)c1	587097533	KKFYXGIWESTUMW-UHFFFAOYSA-N	338.245	3.561	5	1	EHBF	
Cc1ccc([C@H](C)[C@@H](O)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1	586893688	WLBKOZRRWSPZLF-MGPLVRAMSA-N	329.331	3.756	5	1	EHBF	
CSc1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1	587267918	IIJMDVZZAVSEEN-UHFFFAOYSA-N	331.401	3.561	5	1	EHBF	
CCc1ccc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2c1	587261145	VZXANOBNULBVET-UHFFFAOYSA-N	327.340	3.718	5	1	EHBF	
CN(C)CCNC(=O)c1cc2c3ccccc3sc2c2cccnc12	96921325	YEUYSUITNZCYBK-UHFFFAOYSA-N	349.459	3.894	5	1	EHBF	
O=[N+]([O-])c1cc2nc(CNc3ccccc3Cl)[nH]c2cc1[N+](=O)[O-]	587062819	WSGVFKAWZPZDRA-UHFFFAOYSA-N	347.718	3.645	5	1	EHBF	
Nc1ccc(F)c(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c1	587142309	TUUZVSAVINCMPV-UHFFFAOYSA-N	343.365	3.971	5	1	EHBF	
COc1cccc(NC(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)c1	66074608	RMFCRRKPCHWVRO-UHFFFAOYSA-N	329.356	3.676	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c([N+](=O)[O-])cccc31)O2	587388563	DFLGENJZLZRMKY-IBGZPJMESA-N	338.363	3.682	5	1	EHBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3cnc4ccccc4c3[nH]2)c1	587262662	VZAHBGJHMKKOJN-UHFFFAOYSA-N	348.362	3.949	5	1	EHBF	
COc1ccc([N+](=O)[O-])cc1[C@H](O)c1c(C)[nH]c2cc(F)ccc12	587635443	HZELUNBXVBLELF-KRWDZBQOSA-N	330.315	3.614	5	1	EHBF	
CCOC(=O)Cc1[nH]c2cc(F)ccc2c1-c1ccccc1[N+](=O)[O-]	587636312	VRWIUJGIBGVPCH-UHFFFAOYSA-N	342.326	3.988	5	1	EHBF	
O=C(c1ccc(Br)cn1)c1coc2cc([N+](=O)[O-])ccc12	587280059	ZKAJISWLZRHLCB-UHFFFAOYSA-N	347.124	3.730	5	1	EHBF	
CC[C@@H]1C[N+]2(C[C@H](O)c3ccnc4ccc(OC)cc34)CCC1CC2	169338016	VSYLYJZAYCHMJI-CWYKBMLVSA-N	341.475	3.543	5	1	EHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(N(C)C)cc1	587647088	PHETZGRYJUYZDY-UHFFFAOYSA-N	338.367	3.703	5	1	EHBF	
CC(C)(C)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2n1	587149001	OCDATVPCRXEUMI-UHFFFAOYSA-N	344.346	3.882	5	1	EHBF	
Cc1oc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1[N+](=O)[O-]	587268811	LDFUPKBCJOTQKY-UHFFFAOYSA-N	327.218	3.938	5	1	EHBF	
O=[N+]([O-])c1cc(/C=C/c2nc3c(Cl)ncnc3[nH]2)ccc1Cl	587047089	ATMDXTWEZOVZRW-DUXPYHPUSA-N	336.138	3.738	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2c1	587052449	AHWZIAUVGRDPKI-UHFFFAOYSA-N	339.742	3.977	5	1	EHBF	
COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CN(C)C)cc1F	587645415	AWPZEMUFABQXRJ-UHFFFAOYSA-N	343.358	3.952	5	1	EHBF	
Cc1cnc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c1	587109741	MZMLHQMXUDERMI-UHFFFAOYSA-N	336.273	3.784	5	1	EHBF	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C)[nH]c2cc(F)ccc12	587636330	WLOWMQRFHZFKOA-UHFFFAOYSA-N	343.314	3.785	5	1	EHBF	
O=c1ccc2c3c(cc[n+]2Cc2ccc(F)cc2F)c2ccccc2n13	653806221	CTYXJCTVQNYJCW-UHFFFAOYSA-N	347.344	3.658	5	1	EHBF	
O=[N+]([O-])c1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cc1F	587084670	QCRRMZGRBUJAOE-UHFFFAOYSA-N	327.102	3.979	5	1	EHBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Cl)cnc3[nH]2)c1	587270384	WVGQVGQHLUEVBS-UHFFFAOYSA-N	343.774	3.787	5	1	EHBF	
Cc1c2ccn(CCOCCN)cc2c(C)c2c1nc1ccc(O)cc12	377853453	DGDNAGMRKKDRIL-UHFFFAOYSA-N	349.434	3.640	5	1	EHBF	
COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3	1633290	SHTFFTQYBKDUNJ-UHFFFAOYSA-N	339.391	3.995	5	1	EHBF	
Nc1ccc(F)c(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1	587142025	JGFAWUOXJKXASY-UHFFFAOYSA-N	343.365	3.971	5	1	EHBF	
CCc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-]	587432363	JOPZMOKBQCLOCZ-KUHUBIRLSA-N	339.347	3.655	5	1	EHBF	
O=[N+]([O-])c1cc(/C=C/c2nc3cnc(Cl)[nH]c-3n2)ccc1Cl	587047756	MENZXGGGLVPDBN-DUXPYHPUSA-N	336.138	3.690	5	1	EHBF	
O=C1CSC[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)N1	587042983	OIVAATGBINAAOD-OAHLLOKOSA-N	333.416	3.773	5	1	EHBF	
CC[C@@H]1C[N+]2(c3ccnc4ccc(O[C@H](C)CO)cc34)CCC1CC2	169338025	XWILDVMVRIRIDF-BECRLTMWSA-N	341.475	3.752	5	1	EHBF	
Cc1ccc([C@H](C)[C@H](O)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1	586884679	AEXVQPGPTOBGSH-SJCJKPOMSA-N	325.368	3.925	5	1	EHBF	
C[C@@]1(c2ccncc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3	587512238	MJZFKPWSHYZJGY-IBGZPJMESA-N	338.363	3.749	5	1	EHBF	
CCOC(OCC)c1ccc(/C=C/c2ncc([N+](=O)[O-])n2C)cc1	40973041	SBVDMMSUIHNAEY-DHZHZOJOSA-N	331.372	3.570	5	1	EHBF	
Cc1c(Cl)ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12	587268773	DZQNOAJRCYJCTG-UHFFFAOYSA-N	345.742	3.824	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1O)CC2=O	587473474	VVGIRTJIHINEQZ-KRWDZBQOSA-N	343.335	3.665	5	1	EHBF	
O=c1c2ccccc2oc2c(OCC3CC3)ccc(Cn3ccnc3)c12	95585932	NKWUYAGAAIUZCU-UHFFFAOYSA-N	346.386	3.980	5	1	EHBF	
Cc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1NCCc2ccc(O)cc21	963342006	QCLGIUNJBIXWLT-FQEVSTJZSA-N	349.390	3.635	5	1	EHBF	
O=c1c2ccc(O)cc2oc2c1oc1c(Br)cc(O)cc12	13535729	JYVSUFJBMGEYDZ-UHFFFAOYSA-N	347.120	3.866	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3cccc(F)c3C(F)(F)F)nc2c1	587098589	UHZDKRSMSMOLTH-UHFFFAOYSA-N	326.209	3.691	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@H](c1ccc(N)c([N+](=O)[O-])c1)CC2=O	587468663	CMVXLPABXSMJPH-KRWDZBQOSA-N	342.351	3.542	5	1	EHBF	
Nc1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1	587251214	CBRQOLLSUSHBSA-UHFFFAOYSA-N	344.758	3.522	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c12	586896708	KMXNMRMPSDSCHF-UHFFFAOYSA-N	332.319	3.906	5	1	EHBF	
Cc1nc2cc3c4c(nn3CCN(C)C)c3ccccc3oc4c2[nH]1	28604313	QCGRPPZEZSTVNR-UHFFFAOYSA-N	333.395	3.682	5	1	EHBF	
O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1ccccc1O	40900202	NUZSRYKSUCGUNW-UHFFFAOYSA-N	327.123	3.860	5	1	EHBF	
O=C(O)c1cccc2c(-n3cc([N+](=O)[O-])cn3)c(-c3ccccc3)[nH]c12	587638025	JXWWJYCLIHQUHI-UHFFFAOYSA-N	348.318	3.627	5	1	EHBF	
C[C@H](O)CN(C)c1nc2cc(-c3ccccc3)nnc2c2ccccc12	28761514	OKKPPAJEVLEIKD-AWEZNQCLSA-N	344.418	3.662	5	1	EHBF	
Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1CO	40411803	GOTXUHYDSMZJGS-UHFFFAOYSA-N	337.379	3.764	5	1	EHBF	
CC(=O)N[C@H](CSc1cccc2cc3ccccc3cc12)C(=O)O	2356515174	DFIWKYVPNOCQAH-QGZVFWFLSA-N	339.416	3.674	5	1	EHBF	
O=[N+]([O-])c1cc2nc(-c3cc4c(s3)CCC4)[nH]c2cc1[N+](=O)[O-]	587036459	BVIYQGDCVCADJO-UHFFFAOYSA-N	330.325	3.597	5	1	EHBF	
O=[N+]([O-])c1cccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12	587077286	UQWXBHHQIVZLAC-CQSZACIVSA-N	342.742	3.742	5	1	EHBF	
COCCOc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1[N+](=O)[O-]	587266415	WUKZJSXSEMHDOU-UHFFFAOYSA-N	341.367	3.780	5	1	EHBF	
COc1cc2c3c(c1)O[C@H](c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587417645	DPKKPRSXLYKMGA-YVEFUNNKSA-N	345.738	3.746	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@](C)(c1ncccc1[N+](=O)[O-])CC2=O	587468699	CSTIIYMWBITOOZ-SFHVURJKSA-N	342.351	3.529	5	1	EHBF	
COc1c(C)cc(O)c2c(=O)c3c(O)c(Cl)cc(Cl)c3oc12	13451792	FCFXMZVGVGXWPY-UHFFFAOYSA-N	341.146	3.981	5	1	EHBF	biogenic
COc1cc(-c2nc3ccc(C)c(C)c3[nH]2)c(OC)c([N+](=O)[O-])c1	587261002	OYUSTRMBZIJPMO-UHFFFAOYSA-N	327.340	3.772	5	1	EHBF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(O)ccc2[N+](=O)[O-])N1	962961206	TUMMJCZALLDYSE-JEOXALJRSA-N	337.379	3.795	5	1	EHBF	
COc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC	3822058	VEIKFDKHUBMRBI-XBXARRHUSA-N	325.324	3.659	5	1	EHBF	
COc1cc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2cc1F	587262132	NJWOHDOLPWDNLK-UHFFFAOYSA-N	345.330	3.549	5	1	EHBF	
COc1c(O)cc(CCN(C)C)c2ccc3cc4c(cc3c12)OCO4	14765582	MQOAQPJGJMFVBE-UHFFFAOYSA-N	339.391	3.540	5	1	EHBF	biogenic
O=C1C[C@H](c2ccc([N+](=O)[O-])cc2O)Oc2c1ccc1c2CCCC1	587514572	ZUZPTSSUMSWUNW-GOSISDBHSA-N	339.347	3.886	5	1	EHBF	
O=[N+]([O-])c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)c([N+](=O)[O-])c1	587876114	ZGVMXBXSAHFVAP-UHFFFAOYSA-N	342.242	3.601	5	1	EHBF	
Cc1cc(=O)oc2c1ccc1c(OCC(=O)NC(C)(C)C)cccc12	84634223	UMVQSNSDIJKWCO-UHFFFAOYSA-N	339.391	3.548	5	1	EHBF	
O=C1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H](c2cccc(Cl)c2)N1	103155577	VFCBYOKPNUZDSN-HNNXBMFYSA-N	329.743	3.892	5	1	EHBF	
COc1cc(O)c2c(=O)c3c(C)cc(O)c(Cl)c3oc2c1Cl	13451842	AXJUFLROJPQWAZ-UHFFFAOYSA-N	341.146	3.981	5	1	EHBF	biogenic
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]([N+](=O)[O-])CCC3	586987629	PHVORROEBMBRGR-AWEZNQCLSA-N	346.342	3.806	5	1	EHBF	
CN(C)CCCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O	27863907	JEGHYLAVVBMCMT-UHFFFAOYSA-N	332.403	3.541	5	1	EHBF	
O=[N+]([O-])c1cc(Nc2ncnc3c2sc2cccnc23)ccc1O	95574191	MDCALODNLAWVNI-UHFFFAOYSA-N	339.336	3.597	5	1	EHBF	
O=C(O)Cc1c(-c2cc(F)cc(F)c2)[nH]c2cc([N+](=O)[O-])ccc12	587645623	FYBVQGQOZZYLCO-UHFFFAOYSA-N	332.262	3.648	5	1	EHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-n1cc(C(F)(F)F)ccc1=O	587645985	HRHLLPNTKZTYGO-UHFFFAOYSA-N	337.257	3.554	5	1	EHBF	
C[C@H]1CCCCN1c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1	28960216	WUDRMYQQZKAPEW-LBPRGKRZSA-N	329.356	3.819	5	1	EHBF	
Cc1nc(C)c(-c2ccnc(N(C)c3cccc([N+](=O)[O-])c3)n2)s1	13559872	ADMUFKDXOCHFHI-UHFFFAOYSA-N	341.396	3.893	5	1	EHBF	
CC(=O)N[C@H](CC(=O)c1cc(C)sc1C)c1cccc([N+](=O)[O-])c1	72114271	BKEIZQZPKCPYCZ-MRXNPFEDSA-N	346.408	3.723	5	1	EHBF	
O=C(O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1	587047518	JVQXKCNDKRXJMH-KXFIGUGUSA-N	343.726	3.993	5	1	EHBF	
CCCNc1c2c(=O)nc(-c3ccccc3)nc-2n(C)c2ccccc12	40943164	SOJVUOGSWGFAHD-UHFFFAOYSA-N	344.418	3.922	5	1	EHBF	
CCO[P@](=O)(NC1CCCC1)Oc1ccc(C)cc1[N+](=O)[O-]	72123033	CXAGWMSAAPUNBH-JOCHJYFZSA-N	328.305	3.959	5	1	EHBF	
COc1ccc2oc3c(O)c4c(cc3c(=O)c2c1)CCC(C)(C)O4	96927746	FLOJWBDDBHULFZ-UHFFFAOYSA-N	326.348	3.764	5	1	EHBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(C)(C)C)cc2[nH]1	587274061	MOUHCFQHGJKVSE-NSHDSACASA-N	327.388	3.769	5	1	EHBF	
O=[N+]([O-])c1ccc2c(C3OCCO3)c(-c3cccc(F)c3)[nH]c2c1	587646208	WWPAIVAGARCKLM-UHFFFAOYSA-N	328.299	3.928	5	1	EHBF	
CCSC[C@@H](O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1	28820525	GNPUMCJXJKIALL-GFCCVEGCSA-N	334.319	3.881	5	1	EHBF	
O=C(O)C(=O)CC(=O)c1ccc2c(ccc3c(Cl)cccc32)c1	96937906	XQIPOGJESPISKW-UHFFFAOYSA-N	326.735	3.873	5	1	EHBF	
COc1ccc(CCCSc2ccc([N+](=O)[O-])c3nonc23)cc1	96910440	VSRGHGUTKMGITN-UHFFFAOYSA-N	345.380	3.865	5	1	EHBF	
COCCNc1ccc(-c2nc3cc(C)cc(C)c3[nH]2)cc1[N+](=O)[O-]	587261777	ITHRVUQCRHDNEI-UHFFFAOYSA-N	340.383	3.813	5	1	EHBF	
COc1cccc2c(=O)c3c(O)cc4c(c3n(C)c12)C=CC(C)(C)O4	13307719	UNXDMEUOZWETRG-UHFFFAOYSA-N	337.375	3.590	5	1	EHBF	endogenous,in-man
O=[N+]([O-])c1ccc2c(NCCc3ccc(Cl)cc3)ncnc2c1	13476452	MMFJETZSLDBGFC-UHFFFAOYSA-N	328.759	3.846	5	1	EHBF	
C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ncsc1-c1ccccc1)C2	169331623	YADCYZRCWCLDTG-FDTVQSNTSA-O	344.460	3.597	5	1	EHBF	
C/C=C1/C[N+]2(C)C[C@H]3c4c([nH]c5ccccc45)[C@@H]2C[C@@H]1[C@@H]3C(=O)OC	238766863	BMVSWAFBXGXBMT-XOKSGBDWSA-N	337.443	3.522	5	1	EHBF	
C[C@@H]1CC(C)(C)c2c(cc(O)c3c(=O)c4c(O)ccc(O)c4oc23)O1	238777988	RCFWDACKYHHAJT-MRVPVSSYSA-N	342.347	3.512	5	1	EHBF	
Cn1c(=O)c(Cc2ccccc2)nc2c(Cl)c3ncccc3cc21	653749326	DXONLPPSXVWRJJ-UHFFFAOYSA-N	335.794	3.726	5	1	EHBF	
COC(=O)c1cc2c(c3c1ccc1c(OC)cc(OC)cc13)OCO2	6017912	PPYZEJGRAGTFLG-UHFFFAOYSA-N	340.331	3.526	5	1	EHBF	biogenic
O=[N+]([O-])c1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1Cl	587031964	NWOYTFWWIHAWAS-UHFFFAOYSA-N	335.772	3.926	5	1	EHBF	
O=[N+]([O-])c1cccnc1NCc1nc2cc(Cl)cc(Cl)c2[nH]1	587268669	IUDXTTYBJLOFAQ-UHFFFAOYSA-N	338.154	3.785	5	1	EHBF	
COc1cc2[nH]c(C(=O)O)cc(=O)c2c2c1sc1ccccc12	169319953	VCBVOPNJWXQOBF-UHFFFAOYSA-N	325.345	3.603	5	1	EHBF	
O[C@H]1c2ccc3c4ccccc4c4ccccc4c3c2[C@H]2O[C@H]2[C@@H]1O	6117977	GZHHSQMUVHHNOY-CBPXPLCBSA-N	328.367	3.994	5	1	EHBF	
Cc1cccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12	587266383	ZZHBWBGHOXQNHD-JTQLQIEISA-N	341.327	3.861	5	1	EHBF	
O=[N+]([O-])c1cccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)c1	49784023	PIJBUFHMIMFCEN-JGGQBBKZSA-N	329.787	3.918	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@H](c1cccc([N+](=O)[O-])c1O)CC2=O	587473566	XTXFJVKMTSOQKT-INIZCTEOSA-N	343.335	3.665	5	1	EHBF	
O=C(NCc1cccc2ccccc12)Nc1ncc([N+](=O)[O-])s1	1857597979	DLPQKGJCDOCTAX-UHFFFAOYSA-N	328.353	3.526	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12	587085870	LOMAUDSBGVFICM-UHFFFAOYSA-N	325.715	3.735	5	1	EHBF	
O=C1c2ccoc2CC[C@@H]1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586907982	PSEBXOCJGKJWFO-MRVPVSSYSA-N	345.742	3.705	5	1	EHBF	
O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12	587967851	TYEGSGBDRWGFKF-DJLDLDEBSA-N	334.173	3.913	5	1	EHBF	
Cc1cnc2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2c1	586979618	GYNQZLGWBBZNNQ-UHFFFAOYSA-N	347.172	3.912	5	1	EHBF	
CCOC(=O)c1c(-c2ccc(Cl)cn2)[nH]c2cc([N+](=O)[O-])ccc12	587645344	RFHWPLHBGOLKGW-UHFFFAOYSA-N	345.742	3.968	5	1	EHBF	
Nc1cc(-c2nnc(SCc3ccccc3)o2)cc([N+](=O)[O-])c1	1772573752	IYJQSAVPLVSKIJ-UHFFFAOYSA-N	328.353	3.519	5	1	EHBF	
CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	238783631	UFRKERSPCBOLGU-JVLSTEMRSA-N	348.355	3.732	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1Cl)O2	587375382	LTTCHGMMLVVYOD-OAHLLOKOSA-N	332.743	3.845	5	1	EHBF	
CCc1ccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2c1	587262028	LHVFCXTWOXAFDY-UHFFFAOYSA-N	325.368	3.963	5	1	EHBF	
COc1ccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)cc23)cc1	103244221	QWZMLRUEODEXFL-UHFFFAOYSA-N	327.296	3.527	5	1	EHBF	
COc1cccc(OC)c1C(=O)c1coc2cc([N+](=O)[O-])ccc12	587279407	JGXHNYCSKJNJAU-UHFFFAOYSA-N	327.292	3.589	5	1	EHBF	
O=c1[nH][nH]c(-c2ccc([N+](=O)[O-])cc2)c1CCc1cccc(Cl)c1	207179030	BTNREPBTPNQQGR-UHFFFAOYSA-N	343.770	3.717	5	1	EHBF	
Cc1cc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)ccc1Br	586977546	QQNMBONBCVBNCF-UHFFFAOYSA-N	347.172	3.528	5	1	EHBF	
O=c1oc(=O)c2c(ccc3nc4ccccc4[nH]c32)c1-c1ccccc1	1772583721	FVMVRLBDHBBFPY-UHFFFAOYSA-N	340.338	3.850	5	1	EHBF	
O=C1N[C@H](O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21	6583879	PLHXPQPLYRWYLK-LJQANCHMSA-N	327.343	3.690	5	1	EHBF	in-vitro
O=[N+]([O-])c1cccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c12	587164970	GWGBLXAKENFZGW-UHFFFAOYSA-N	337.314	3.522	5	1	EHBF	
COc1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2n1	587266308	YKJPBYQMJQGSAK-UHFFFAOYSA-N	336.307	3.802	5	1	EHBF	
O=[N+]([O-])c1cc(/C=C\c2nc3ccc(CCO)cc3[nH]2)ccc1Cl	587048670	YIUDSYNCQIKJFD-UTCJRWHESA-N	343.770	3.830	5	1	EHBF	
Cn1ncc2cc3c(cc21)ncc1c(O)n(-c2ccc(Cl)cc2)nc13	26580237	YHXZIWCGOFERML-UHFFFAOYSA-N	349.781	3.819	5	1	EHBF	
O=[N+]([O-])c1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1Cl	587088123	IXGIKWRYWNODIA-SSDOTTSWSA-N	342.733	3.874	5	1	EHBF	
COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O	587423220	UDYHSJMVXSTKPX-SJCJKPOMSA-N	345.738	3.746	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])c(O)c1)CC2=O	587468164	BNFKKOPHGXIMCY-QGZVFWFLSA-N	343.335	3.665	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(C3CC(F)(c4cccc(F)c4)C3)nc2c1	587131441	IFVDATFBMWZWDW-UHFFFAOYSA-N	330.294	3.748	5	1	EHBF	
O=C1C[C@H](c2cccc([N+](=O)[O-])c2O)Oc2c1ccc1c2CCCC1	587511122	NKAXNQLWXASGKU-QGZVFWFLSA-N	339.347	3.886	5	1	EHBF	
CC(C)(CCO)NCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1	40874739	XBBQAFQHYPPLAD-UHFFFAOYSA-N	345.826	3.850	5	1	EHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)NCCCc1ccccc1	587646721	ISSYUOXLMQOIDJ-UHFFFAOYSA-N	337.379	3.747	5	1	EHBF	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccnc(O)c2[nH]1	586974598	WAXQELXUVPAZKT-UHFFFAOYSA-N	344.396	3.987	5	1	EHBF	
Cc1nc(C)c(-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)s1	13559871	DEIGLICSSNUYPO-UHFFFAOYSA-N	327.369	3.869	5	1	EHBF	in-vitro
O=[N+]([O-])c1cccc(NC2CCN(CCc3ccccc3)CC2)c1	66112593	RRDJISZCFWVOSZ-UHFFFAOYSA-N	325.412	3.714	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12	587073316	BMGOKCJSKZUCNG-UHFFFAOYSA-N	328.759	3.990	5	1	EHBF	
O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)o1	587265663	RUIDPEBVQMZYKG-UHFFFAOYSA-N	341.714	3.793	5	1	EHBF	
COc1ccc(C[C@H]2c3c(cccc3OC)CC[N+]2(C)C)cc1OC	13648599	FBZSSIGVCCAGPO-KRWDZBQOSA-N	342.459	3.629	5	1	EHBF	
O=[N+]([O-])c1cccc(-c2cc(NC3Cc4ccccc4C3)ncn2)c1	82161918	XOZBVERWXKVGKU-UHFFFAOYSA-N	332.363	3.631	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc([N+](=O)[O-])cc1C)O2	587388895	HOZXKAHJNTUSAX-SFHVURJKSA-N	326.352	3.674	5	1	EHBF	
Cc1nccc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc12	587109799	NRSBRGQLACRQDR-UHFFFAOYSA-N	336.273	3.784	5	1	EHBF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)N1	962938973	AZIYIGHBNIGIKC-BFUOFWGJSA-N	349.390	3.924	5	1	EHBF	
COc1c(CC=C(C)C)cc2oc3ccc(O)cc3c(=O)c2c1O	138885611	WSZDDFQLLROZRP-UHFFFAOYSA-N	326.348	3.875	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc([N+](=O)[O-])ccc1F)O2	587382119	OCWXGUPENSNNIF-KRWDZBQOSA-N	330.315	3.505	5	1	EHBF	
O=[N+]([O-])c1ccc(-c2cn(Cc3cc(-c4ccccc4)no3)nn2)cc1	1857767642	NHFATJYTIYTMOU-UHFFFAOYSA-N	347.334	3.557	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3cccnc3NCc3ccccc3)nc2c1	587229999	PQAMJXIQFKHJIS-UHFFFAOYSA-N	346.350	3.540	5	1	EHBF	
COc1cc(OCc2nc3cc(C)cc(C)c3[nH]2)ccc1[N+](=O)[O-]	587263723	ZPWCZHQBASLDOM-UHFFFAOYSA-N	327.340	3.676	5	1	EHBF	
CCOc1cc(-c2cccc(F)c2)nn1-c1ncc(C)cc1[N+](=O)[O-]	587871879	OUNKUABXFCBXRX-UHFFFAOYSA-N	342.330	3.689	5	1	EHBF	
COc1cc2c3c(c1)O[C@](C)(c1c(C)cccc1[N+](=O)[O-])[C@@H](C2)C3=O	587432234	ITDLEDQOFSXQIA-DJJJIMSYSA-N	339.347	3.575	5	1	EHBF	
COCCNc1ccc(-c2nc3cccc(C)c3[nH]2)cc1[N+](=O)[O-]	587264814	KIFOOFFIRZWAOO-UHFFFAOYSA-N	326.356	3.505	5	1	EHBF	
CNCCc1cc(OC)c(OC)c2c1ccc1cc3c(cc12)OCO3	14765578	NHVNARZVZZJBSI-UHFFFAOYSA-N	339.391	3.501	5	1	EHBF	biogenic
C[C@H]1N=C(S)N(Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1	29336135	SOTYNBJZFCRLHP-ABAIWWIYSA-N	328.397	3.653	5	1	EHBF	
COc1cc(OCc2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-]	587263614	WVFJCIYWUCTDDF-UHFFFAOYSA-N	333.731	3.712	5	1	EHBF	
CCN(CC)CCNc1ccc2ncn3c4ccc(C)cc4c(=O)c1c23	100754745	WFGRXYIXMBRGOU-UHFFFAOYSA-N	348.450	3.501	5	1	EHBF	
COc1ccc2c(c1)oc(=O)c1c2oc2cc(OC)cc(OC)c21	14778681	CCXWHGGGSVYXFH-UHFFFAOYSA-N	326.304	3.718	5	1	EHBF	biogenic
Cc1ccc(C[n+]2ccc3c4ccccc4n4c(=O)ccc2c34)cc1	653806061	LIJFOEDUHNPARD-UHFFFAOYSA-N	325.391	3.688	5	1	EHBF	
O=[N+]([O-])c1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1F	587085038	XCRLGFVADJFLFC-UHFFFAOYSA-N	332.722	3.739	5	1	EHBF	
CCc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-]	587390073	PHDURKNMGRKSIA-KRWDZBQOSA-N	326.352	3.754	5	1	EHBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc3c(c2[nH]1)CCCC3	587270573	NOCRBRLIJHUFAZ-INIZCTEOSA-N	336.395	3.592	5	1	EHBF	
O=C1C(=O)N(Cc2cc3ccccc3s2)c2c1cccc2[N+](=O)[O-]	28461719	BEXUOOJPJCTWKL-UHFFFAOYSA-N	338.344	3.539	5	1	EHBF	
O=C1C[C@@H]2c3ccc4ccccc4c3O[C@@H]2N1c1ccc([N+](=O)[O-])cc1	98085254	WKMBACBNMFMYOD-XLIONFOSSA-N	346.342	3.987	5	1	EHBF	
CC(C)Oc1ccc(Cn2ccnc2)c2c(=O)c3ccccc3oc12	95586684	BQQDPXLFMKRBHT-UHFFFAOYSA-N	334.375	3.978	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@@H](c1cccc([N+](=O)[O-])c1)CC2=O	587473700	ZPROVEGXUUFHHD-QGZVFWFLSA-N	327.336	3.959	5	1	EHBF	
CC(CO)(CO)NCc1c2ccccc2cc2c1ccc1ccccc12	3791637	GTQNWVSUQFDBIJ-UHFFFAOYSA-N	345.442	3.979	5	1	EHBF	
COc1ccc(OC)c(-c2ccc(CN3CCCC3)c([N+](=O)[O-])c2)c1	1911580296	BLXVOOJQDXZDBA-UHFFFAOYSA-N	342.395	3.875	5	1	EHBF	
O=[N+]([O-])c1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2cc1F	587107513	BAZDKBGVIUAAAI-UHFFFAOYSA-N	326.209	3.691	5	1	EHBF	
O=c1cc(C(F)(F)F)c2c(ccc3c2oc(=O)c2cccc(O)c23)[nH]1	29042951	XVWCOCGJNXDKDL-UHFFFAOYSA-N	347.248	3.512	5	1	EHBF	
O=[N+]([O-])c1cc(/C=C\c2nc3c(Cl)ncnc3[nH]2)ccc1Cl	587047090	ATMDXTWEZOVZRW-RQOWECAXSA-N	336.138	3.738	5	1	EHBF	
O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)C2	586883386	BPSXAPRCHBMETI-GUBZILKMSA-N	331.759	3.763	5	1	EHBF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(O)cc([N+](=O)[O-])c2)N1	962940555	CXASDLOARGLWHT-KZULUSFZSA-N	337.379	3.795	5	1	EHBF	
COc1cc2c(c3ccccc3n2C)c2c(NCCCO)nccc12	5932667	HXZIKQPFJWRCJS-UHFFFAOYSA-N	335.407	3.683	5	1	EHBF	
Cn1c2ccccc2c(=NNc2ccc(C(=O)O)cc2)c2ccccc21	73276883	UTGHFNMSBZNPNI-UHFFFAOYSA-N	343.386	3.958	5	1	EHBF	
O[C@@H]1c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@H]2O[C@@H]2[C@@H]1O	102842458	LBOOERJKINPNNR-GXRSIYKFSA-N	328.367	3.994	5	1	EHBF	
Cc1[nH]c2cccc(F)c2c1C(=O)OCc1ccc([N+](=O)[O-])cc1	587636148	RWTUANOXECORLP-UHFFFAOYSA-N	328.299	3.881	5	1	EHBF	
CC(C)(C)C(=O)Nc1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cn1	587244470	GIJIQDOMQZQHDL-UHFFFAOYSA-N	339.355	3.518	5	1	EHBF	
CC(=O)N[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	38881504	VTLXSBKCENFQME-INIZCTEOSA-N	346.770	3.698	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c([N+](=O)[O-])c1)CC2=O	587468221	CFEMFLOABNGRGJ-KRWDZBQOSA-N	343.335	3.665	5	1	EHBF	
COCCOc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-]	587266063	UYYJOTXMPYXOHX-UHFFFAOYSA-N	347.758	3.817	5	1	EHBF	
CN(C)CCCNC(=O)c1cc2c3ccccc3[nH]c2c2ncccc12	43023794	KMSICYHMYZLMPW-UHFFFAOYSA-N	346.434	3.551	5	1	EHBF	
CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1cccc2cccnc12	103275927	DAUCSSAUCMIBBR-UHFFFAOYSA-N	347.378	3.651	5	1	EHBF	
CN(C)c1ncccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1	587195104	BNAZHVZTKPMFAX-UHFFFAOYSA-N	340.390	3.787	5	1	EHBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(C)cnc(Cl)c3[nH]2)c1	587262323	PNKSFSLCKCGVHE-UHFFFAOYSA-N	346.774	3.758	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cccc1[N+](=O)[O-])O2	587375761	OPAUZIPCIXCQMT-AWEZNQCLSA-N	332.743	3.845	5	1	EHBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3F)c(-n3cncn3)c12	587646080	SRMXCIGQYZJFFY-UHFFFAOYSA-N	341.277	3.602	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1O)CC2=O	587472707	LDIROPDIHNRPOV-QGZVFWFLSA-N	343.335	3.665	5	1	EHBF	
Cc1c(-c2nc3c(C)ccnc3[nH]2)cc(Br)cc1[N+](=O)[O-]	586979748	KIZJCBVPDPGOHX-UHFFFAOYSA-N	347.172	3.912	5	1	EHBF	
COC(=O)CC[C@H](N)c1nc2c3ccccc3c3ccccc3c2[nH]1	587259805	MSCINMSUQRIWTH-INIZCTEOSA-N	333.391	3.822	5	1	EHBF	
CCc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O	3805651	AUEBOFAZJRKWRR-UHFFFAOYSA-N	346.430	3.713	5	1	EHBF	
O=[N+]([O-])c1cc2nc(-c3coc4cc(F)ccc34)[nH]c2cc1[N+](=O)[O-]	587175103	PNDYWTRVPXFICY-UHFFFAOYSA-N	342.242	3.932	5	1	EHBF	
Cc1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1C1CCCC1	1857596642	OLMIBFRQWCVKGU-UHFFFAOYSA-N	338.367	3.564	5	1	EHBF	
Cc1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2n1	587269227	IWDGBHPNLMOCNQ-UHFFFAOYSA-N	331.335	3.904	5	1	EHBF	
COC(=O)c1cc2c(c3c1ccc1c(OC)c(OC)ccc13)OCO2	14589630	YTGDSPNLBYVHHM-UHFFFAOYSA-N	340.331	3.526	5	1	EHBF	biogenic
O=[N+]([O-])c1c(Br)ccc2nc(-c3occ4c3CCC4)[nH]c12	586905129	HCSVHWCPPQJPCR-UHFFFAOYSA-N	348.156	3.982	5	1	EHBF	
COc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cn1	587047291	FGOLFZAVMZOAEZ-HWKANZROSA-N	330.731	3.699	5	1	EHBF	
Cc1ccc([C@H](C)[C@H](O)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1	586893690	WLBKOZRRWSPZLF-QFYYESIMSA-N	329.331	3.756	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cc([N+](=O)[O-])ccc3n1)O2	587388603	DNNDQYVRHYOMHZ-GOSISDBHSA-N	349.346	3.740	5	1	EHBF	
CC(=O)Nc1cccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(C)=O)c1	587646428	AFDRQMXDXNTPFL-UHFFFAOYSA-N	337.335	3.904	5	1	EHBF	
Cc1c(-c2nc3cccc(O)c3[nH]2)cc(Br)cc1[N+](=O)[O-]	586980371	WLBHJHDWXAQYEQ-UHFFFAOYSA-N	348.156	3.915	5	1	EHBF	
O=[N+]([O-])c1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1F	587016644	AMCOHVPDRBRLBJ-UHFFFAOYSA-N	344.327	3.918	5	1	EHBF	
COc1cc(OCc2nc3cc(C)c(F)cc3[nH]2)ccc1[N+](=O)[O-]	587263576	UYALMFRMBPVCEO-UHFFFAOYSA-N	331.303	3.506	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@@H](c1cc(O)ccc1[N+](=O)[O-])CC2=O	587473707	ZWIVCLACMFSCAS-QGZVFWFLSA-N	343.335	3.665	5	1	EHBF	
CC(C)(CC(=O)O)Cc1nc2cc3nc4ccccc4nc3cc2[nH]1	587955223	IMDKNKROXJRHEI-UHFFFAOYSA-N	334.379	3.703	5	1	EHBF	
Cc1ccccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1N1CCOCC1	587649114	QIYCWBMQKSFHJU-UHFFFAOYSA-N	337.379	3.888	5	1	EHBF	
COc1ccc([C@H](O)[C@H](C)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1	587936757	LYMSVBGVKBLZOO-APPDUMDISA-N	341.367	3.625	5	1	EHBF	
N[C@@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C[C@@H]1c1ccccc1F	587153811	AAQXGGKJRWJCJZ-ABKXIKBNSA-N	346.749	3.605	5	1	EHBF	
COC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(F)c(F)c1	587646132	UGNLIUZOJNLLHZ-UHFFFAOYSA-N	346.289	3.737	5	1	EHBF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(O)ccc2[N+](=O)[O-])N1	962961211	TUMMJCZALLDYSE-WLRWDXFRSA-N	337.379	3.795	5	1	EHBF	
Cc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1Cl	587269025	HMNMZNVWLHPUAT-UHFFFAOYSA-N	345.742	3.824	5	1	EHBF	
COc1cc(-c2nc3ccc(F)c(C)c3[nH]2)c(OC)c([N+](=O)[O-])c1	587261011	PHFHNXVADIUDPI-UHFFFAOYSA-N	331.303	3.603	5	1	EHBF	
N=C(N)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1	587048091	QELNVZCCAXPTDV-QHHAFSJGSA-N	341.758	3.579	5	1	EHBF	
CO[C@@H](C)COC1CCC(c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)CC1	587952915	YAIGXAANFHMTRU-HSBZDZAISA-N	347.415	3.857	5	1	EHBF	
COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C2)C3=O	587422713	ZGKABAZMPYPUSF-YVEFUNNKSA-N	345.738	3.746	5	1	EHBF	
Nc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc([N+](=O)[O-])cc1	5933298	GQTZMQASBCUQIU-UHFFFAOYSA-N	337.166	3.882	5	1	EHBF	
O=C(CCNC12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1	169330328	NQUCRQJIRGFYFG-UHFFFAOYSA-N	328.412	3.726	5	1	EHBF	
COc1ccc2oc3nc4ccccc4c-3c(N3CCOCC3)c2c1	95575412	UGWFODQUZXTHAG-UHFFFAOYSA-N	334.375	3.931	5	1	EHBF	
CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-]	587391923	ZXQQYSPIJUAFHW-KRWDZBQOSA-N	342.351	3.591	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c12	586899405	WAQRLLPMDGFPKK-UHFFFAOYSA-N	332.319	3.906	5	1	EHBF	
Cc1oc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1[N+](=O)[O-]	587268879	MSLHVEMUDALJQE-UHFFFAOYSA-N	340.108	3.941	5	1	EHBF	
O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cnncc4[nH]3)c2)cc1	587272540	UTTDXXDQHDTMJS-UHFFFAOYSA-N	333.307	3.720	5	1	EHBF	
COc1nccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12	587048260	RRGXGRXSVPOYLW-HWKANZROSA-N	330.731	3.699	5	1	EHBF	
C[C@H](CSc1ccc(F)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1	587171884	UOQODDMYHWJLIB-SECBINFHSA-N	332.360	3.901	5	1	EHBF	
O=[N+]([O-])c1cccc([C@]2(c3ccccc3)NCCc3ccc(O)cc32)c1	963341618	NOYIPWINGRGPIP-NRFANRHFSA-N	346.386	3.738	5	1	EHBF	
CCOc1cc2c(cc1/C=C/c1noc(C)c1[N+](=O)[O-])O[C@@H](C)C2	8038776	SHFPTXBEYRTWIM-PORFMDCZSA-N	330.340	3.784	5	3	EHBF	
COc1c(O)ccc2c(=O)c3c(O)cc(O)c(CC=C(C)C)c3oc12	14763054	WMYUPMDGHNMILW-UHFFFAOYSA-N	342.347	3.580	5	1	EHBF	biogenic
O=c1ccccn1C1=CC2(CCCCC2)Oc2ccc([N+](=O)[O-])cc21	27558815	LUYMSBUCMUZYJD-UHFFFAOYSA-N	338.363	3.741	5	1	EHBF	
COc1cc2c3c(c1)O[C@H](c1c(Cl)cccc1[N+](=O)[O-])[C@@H](C2)C3=O	587424343	ZJJAFVMHSNMEPY-BTDLBPIBSA-N	345.738	3.746	5	1	EHBF	
CC(C)(C)c1cccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c12	587273867	PNCYJVIDDHYYAF-UHFFFAOYSA-N	327.388	3.598	5	1	EHBF	
O=C(Oc1cccc(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	40390967	REVBEIXBVLPYSD-UHFFFAOYSA-N	345.694	3.574	5	1	EHBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Cl)c(F)cc2[nH]1	587268345	SFMYAPJOGATGDL-UHFFFAOYSA-N	337.742	3.632	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc([N+](=O)[O-])c1)O2	587376034	BQZPQFDKGMKABY-OAHLLOKOSA-N	332.743	3.845	5	1	EHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)NCc1ccc(Cl)cc1	587645196	KVXGZTRDGFCIMI-UHFFFAOYSA-N	343.770	3.968	5	1	EHBF	
C[C@H]1C(=O)CC[C@H]1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1	587960751	BETXUWQIVKGPSX-NEPJUHHUSA-N	330.391	3.817	5	1	EHBF	
COc1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2n1	587268806	AZNFGVVRMQERAG-UHFFFAOYSA-N	347.334	3.604	5	1	EHBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(C)(C)C)c3[nH]2)[C@H]1C[N+](=O)[O-]	587263265	KYUDPBWACOEBOB-UPJWGTAASA-N	343.427	3.521	5	1	EHBF	
Cc1cc2c(cc1F)[C@](C)(c1c[nH]c3ccc([N+](=O)[O-])cc13)NCC2	962147668	PYSDHUDOBPYZBG-LJQANCHMSA-N	339.370	3.933	5	1	EHBF	
CCCCNc1ncc([N+](=O)[O-])c(Nc2ccc3[nH]ccc3c2)n1	64531784	WKORBOKRVGRXND-UHFFFAOYSA-N	326.360	3.822	5	1	EHBF	
COc1cc2c(=O)c3c(O)c4c(cc3oc2cc1O)OC(C)(C)C=C4	14780237	FTOWGOCMAQYNMJ-UHFFFAOYSA-N	340.331	3.550	5	1	EHBF	biogenic
Cc1noc(C)c1[C@H](c1ccc(C(C)C)cc1)N1CC[N+](C)(C)CC1	28250459	HGXVOQYDMPTWTI-NRFANRHFSA-N	342.507	3.896	5	1	EHBF	
CSc1nc([N+](=O)[O-])cn1C[C@@H](O)c1ccc(Cl)cc1Cl	66077110	WAWSGBFFINFLFR-SNVBAGLBSA-N	348.211	3.554	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])c3cccnc13)O2	587389783	NEMYKZMOHRPKDN-QGZVFWFLSA-N	349.346	3.740	5	1	EHBF	
COc1nccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12	587048263	RRGXGRXSVPOYLW-HYXAFXHYSA-N	330.731	3.699	5	1	EHBF	
Cc1cc2[nH]c(C[C@@H](N)c3ccccc3Cl)nc2cc1[N+](=O)[O-]	587058760	JJBVOXPGJHFLPN-GFCCVEGCSA-N	330.775	3.675	5	1	EHBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cccc(O)c2[nH]1	587110137	SYTSOSCRLVWPEW-UHFFFAOYSA-N	337.257	3.786	5	1	EHBF	
COc1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2n1	587047832	OLRMYCHSBAYQJG-ZZXKWVIFSA-N	330.731	3.699	5	1	EHBF	
Nc1ccnc2[nH]c(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc12	587271880	KLFIWVVDNUQPFV-UHFFFAOYSA-N	347.334	3.908	5	1	EHBF	
CCc1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1	587264366	MFRYVSBXKFRXTA-UHFFFAOYSA-N	326.312	3.533	5	1	EHBF	
O=C(NCC1CC1)c1c(O)ccc2oc3c4ccccc4oc(=O)c3c12	1857573284	IHFQXXKVHHLLQN-UHFFFAOYSA-N	349.342	3.538	5	1	EHBF	
Cc1nn(-c2ccccc2)c(N)c1Sc1ccc([N+](=O)[O-])cc1	3185877	YXPSKDWPGKXZED-UHFFFAOYSA-N	326.381	3.822	5	3	EHBF	
CCn1c(=O)c2ccc(NC(=O)C(F)(F)F)cc2c2ccccc21	3961192	GYNPNAAWMCWDSP-UHFFFAOYSA-N	334.297	3.675	5	1	EHBF	
O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)C=C[C@H](O)[C@H]4O	6094402	DDTKLIBTCCSFGT-OXJNMPFZSA-N	331.327	3.913	5	1	EHBF	
CC[C@H]1C[N+]2(C)[C@H]3C[C@@H]1[C@@H](COC)[C@@H]2Cc1c3[nH]c2ccccc12	238740706	OMYANIJGKRZYET-COMZVXSZSA-N	325.476	3.903	5	1	EHBF	
Nc1nc(NC2CCCCC2)sc1C(=O)c1cccc([N+](=O)[O-])c1	95920697	FLLZFUOEZYWLNJ-UHFFFAOYSA-N	346.412	3.609	5	1	EHBF	in-vitro
C[C@H](Oc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587169497	XWEABMZAKZMMRH-QMMMGPOBSA-N	346.274	3.658	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)ccc([N+](=O)[O-])c1Cl)O2	587377592	XDOQNPAKZDZORK-ZDUSSCGKSA-N	348.742	3.551	5	1	EHBF	
O=[N+]([O-])c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1	587017133	IOLBXAUTHBKXIE-UHFFFAOYSA-N	326.337	3.778	5	1	EHBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)cc(Cl)c2[nH]1	587275702	FXPNBQYKWINHOH-SSDOTTSWSA-N	340.170	3.778	5	1	EHBF	
Cn1ncc2ccc3ncc4c(O)n(-c5ccc(Cl)cc5)nc4c3c21	26578535	XAVMBXKMECAZNZ-UHFFFAOYSA-N	349.781	3.819	5	1	EHBF	
Cc1c(Cl)ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12	587264341	LYWZJPILVCMCOQ-UHFFFAOYSA-N	346.730	3.932	5	1	EHBF	
COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](C2)C3=O	587419375	CPUQDLIQZBGMMO-GTNSWQLSSA-N	345.738	3.746	5	1	EHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)NCc1ccccc1Cl	587644757	MWDHHWYENFOAQC-UHFFFAOYSA-N	343.770	3.968	5	1	EHBF	
C[C@@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1ccc(Cl)cc1Cl	96929064	KQBXZVYHURSCDB-HYYFJVDXSA-N	342.182	3.649	5	1	EHBF	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Cl)c(F)cc2[nH]1	587159774	XVKQEDPYDQKQCX-UHFFFAOYSA-N	339.685	3.982	5	1	EHBF	
CN(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)nc1	587194523	HUUAXFDPZCYZSC-UHFFFAOYSA-N	340.390	3.787	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2c1	587074342	STBYHMAKUDPFKM-UHFFFAOYSA-N	328.759	3.794	5	1	EHBF	
COc1cc2c3c(c(Cl)c4ccccc4c3c1OC)NC(=O)C2=O	13385026	DBNFUUYMTAGFDM-UHFFFAOYSA-N	341.750	3.798	5	1	EHBF	endogenous,in-man
CN(C)CCCN1c2ccccc2CCc2cccc([N+](=O)[O-])c21	5596343	NVRQEDUERNFPLO-UHFFFAOYSA-N	325.412	3.783	5	1	EHBF	
CSC[C@](C)(O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1	28818408	QDQPXFFUNJPXMZ-LBPRGKRZSA-N	334.319	3.665	5	1	EHBF	
COc1ccccc1Nc1ccc([N+](=O)[O-])c2[nH]c(C(=O)O)cc12	103244215	MFFISNLNMCDUGY-UHFFFAOYSA-N	327.296	3.527	5	1	EHBF	
O=[N+]([O-])c1ccc(-c2nnc([C@@H]3CCc4cc(F)ccc4O3)o2)cc1	1911573418	YZRYUMMODQEVGD-HNNXBMFYSA-N	341.298	3.850	5	1	EHBF	
CC(C)COc1ccc(NC(=O)Nc2ccncc2)cc1[N+](=O)[O-]	40877892	HSRYSNRDTDBADD-UHFFFAOYSA-N	330.344	3.669	5	1	EHBF	
COc1ccc([C@@H](O)[C@@H](C)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1	587936778	LYMSVBGVKBLZOO-DIFFPNOSSA-N	341.367	3.625	5	1	EHBF	
Cn1ncc2c3c(ccc21)ncc1c(O)n(-c2ccc(Cl)cc2)nc13	12815	FEWBWLRXFVCLCT-UHFFFAOYSA-N	349.781	3.819	5	1	EHBF	
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1cc[nH]c(=O)c21	40956450	ICAXKYGIPSOXNA-UHFFFAOYSA-N	335.359	3.860	5	1	EHBF	
CN(C)C(=O)[C@H]1C[C@H](c2cc3ccccc3c3ccccc23)N(C)O1	84604858	VWKHTUWGFZGOAF-WOJBJXKFSA-N	334.419	3.758	5	1	EHBF	
O=C1NC(=O)c2c1c1cnc3ccccc3c1c1[nH]c3ccccc3c21	13488699	WMLWVNOORKOXGW-UHFFFAOYSA-N	337.338	3.906	5	1	EHBF	
COCCNc1ccc(-c2nc3cc(C)cc(F)c3[nH]2)cc1[N+](=O)[O-]	587261974	KKNMYRICLIOSQG-UHFFFAOYSA-N	344.346	3.644	5	1	EHBF	
O=[N+]([O-])c1ccc(Cn2cc(-c3cccc(C(F)(F)F)c3)nn2)cc1	15937285	LCXDAMWDAXTPPB-UHFFFAOYSA-N	348.284	3.920	5	3	EHBF	
CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](N2C3CCCC2CCC3)[C@@H]1O	29339763	WARZRGCGBVSUOK-UGTAFDGBSA-N	346.427	3.575	5	1	EHBF	
CCCOC(=O)c1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1C	40974989	HJTSNPPXPPJSJY-UHFFFAOYSA-N	342.351	3.722	5	1	EHBF	
Cc1c(-c2nc3c(C)nccc3[nH]2)cc(Br)cc1[N+](=O)[O-]	586980246	UBXCNOKWGOXKAA-UHFFFAOYSA-N	347.172	3.912	5	1	EHBF	
Cc1ccc([C@H](C[N+](=O)[O-])c2c(O)n[nH]c2-c2ccccc2C)cc1	653823259	UIYIMNPCHXCORL-INIZCTEOSA-N	337.379	3.808	5	1	EHBF	
COc1ccc([C@H](O)[C@@H](C)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1	587936785	LYMSVBGVKBLZOO-PIGZYNQJSA-N	341.367	3.625	5	1	EHBF	
O=[N+]([O-])c1cc2nc(/C=C/c3ccc(F)cc3F)[nH]c2cc1[N+](=O)[O-]	587151244	RDVPDKNBOIPIOE-DUXPYHPUSA-N	346.249	3.828	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3ccc([N+](=O)[O-])cc13)O2	587390945	SPSICCWIANRNBU-QGZVFWFLSA-N	337.335	3.673	5	1	EHBF	
COc1cccc2c(=O)c3c(O)c4c(cc3n(C)c12)OC(C)(C)C=C4	38208289	AUWXWUDANKEVNS-UHFFFAOYSA-N	337.375	3.590	5	1	EHBF	endogenous,in-man
CCCc1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	169312968	NOGRHFAZXWMRHF-UHFFFAOYSA-N	330.296	3.675	5	1	EHBF	
c1cnc(N2CCN(c3nc4ccccc4c4ccccc34)CC2)nc1	103264601	YFWMJZPRKNMTER-UHFFFAOYSA-N	341.418	3.505	5	1	EHBF	
O=c1c2cc(Cl)ccc2cnn1-c1ccc(Cl)cc1[N+](=O)[O-]	587651377	IGALOMOOUBJTTN-UHFFFAOYSA-N	336.134	3.601	5	1	EHBF	
CCc1c(-c2cc3c(cc2N)OCCO3)[nH]c2cc([N+](=O)[O-])ccc12	587647838	RFAULEZRMRXHPG-UHFFFAOYSA-N	339.351	3.659	5	1	EHBF	
CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2ccc(S(C)(=O)=O)cc12	587649614	AATRNVCOXJICKY-UHFFFAOYSA-N	344.392	3.709	5	1	EHBF	
CN(C)CCCn1c2cc(=O)c3ccccc3c-2nc2ccccc21	299865224	SVPHTHKPAZDJSN-UHFFFAOYSA-N	331.419	3.606	5	1	EHBF	
O=C(O)/C=C/c1ccccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586882510	WMDRLNRWFMEOLB-AATRIKPKSA-N	343.726	3.889	5	1	EHBF	
Cc1ccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1C(F)(F)F	587095354	FJDOMYFATXJJQZ-UHFFFAOYSA-N	336.273	3.784	5	1	EHBF	
c1cc(-c2nc[nH]n2)c2nc(NC3CCCC3)c3ccncc3c2c1	73157694	QLQXQPDNKGTPIA-UHFFFAOYSA-N	330.395	3.923	5	1	EHBF	
Cc1oc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1[N+](=O)[O-]	587268936	NRALTIOMIFNJMW-UHFFFAOYSA-N	340.108	3.941	5	1	EHBF	
CN(CCc1cccs1)c1cc(=O)n2ccc3ccccc3c2n1	28111574	VSWPWCYLSIWRFD-UHFFFAOYSA-N	335.432	3.588	5	1	EHBF	
COc1ccc(C[C@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1OC	587925099	AGUPOKLNZXBXGZ-NSHDSACASA-N	341.367	3.835	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1[N+](=O)[O-]	586893881	ZBWLVDITKJOEDJ-YBIKONCISA-N	342.355	3.847	5	1	EHBF	
Cc1c2ccn(CCOCCN)cc2c(C)c2c1nc1ccccc12	377853456	PFNWPBFEFAYXKO-UHFFFAOYSA-N	333.435	3.935	5	1	EHBF	
COc1ccc(C)cc1NCCCc1nc2ccc([N+](=O)[O-])cc2[nH]1	587228368	BSAPAOJKPPKVOO-UHFFFAOYSA-N	340.383	3.833	5	1	EHBF	
COc1cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(Cl)c1O	587045655	ARQUBOIEWWSDLA-UHFFFAOYSA-N	337.694	3.645	5	1	EHBF	
O=c1c2cc3ccccc3cc2oc2cc(OC[C@@H]3CO3)cc(O)c12	45370278	LMXRKPOKBMPLCH-CQSZACIVSA-N	334.327	3.583	5	1	EHBF	
O=C(c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F	587645203	KZYJHDXRQBLYOW-UHFFFAOYSA-N	326.152	3.840	5	1	EHBF	
OCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1	586895772	XXKMYPWFRPXODY-UHFFFAOYSA-N	326.359	3.819	5	1	EHBF	
O=C1O/C(=C/c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c2ccccc21	586906740	PKGNTQUYPRAUME-VGOFMYFVSA-N	341.710	3.793	5	1	EHBF	
O=C1C[C@]2(Cc3cccc([N+](=O)[O-])c3C2)Oc2c1ccc1c2CCCC1	587513965	WAKRFQQJXRHGOW-OAQYLSRUSA-N	349.386	3.976	5	1	EHBF	
CCn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)c(C)n1	587646363	PZVAIYYIHBVSOR-UHFFFAOYSA-N	348.309	3.716	5	1	EHBF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(O)cc([N+](=O)[O-])c2)N1	962940557	CXASDLOARGLWHT-SGTLLEGYSA-N	337.379	3.795	5	1	EHBF	
Cc1cc2[nH]c(-c3ncoc3CCC(F)(F)F)nc2cc1[N+](=O)[O-]	587091480	FKBKTRPFWZCIMD-UHFFFAOYSA-N	340.261	3.929	5	1	EHBF	
COc1ccc(NC(C)(C)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1	587201183	JCOGJMIFDUHXJD-UHFFFAOYSA-N	344.346	3.966	5	1	EHBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cccc(C(F)(F)F)c2[nH]1	587267711	PFYNYNLNJGPJGZ-MRVPVSSYSA-N	339.277	3.604	5	1	EHBF	
CO[C@H](C)COC1CCC(c2nc3cccc([N+](=O)[O-])c3[nH]2)CC1	587952615	UQWNNGPFSCTCDF-PNESKVBLSA-N	333.388	3.549	5	1	EHBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(C)(C)C)cc3[nH]2)[C@H]1C[N+](=O)[O-]	587265317	WCDLDPIIBDIAQF-XBFCOCLRSA-N	343.427	3.521	5	1	EHBF	
O=[N+]([O-])c1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1Cl	586908011	LNDFUNGOUQHCPN-UHFFFAOYSA-N	343.726	3.763	5	1	EHBF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(O)ccc2[N+](=O)[O-])N1	962961213	TUMMJCZALLDYSE-WYRIXSBYSA-N	337.379	3.795	5	1	EHBF	
N[C@H](c1ccsc1)c1nc2c3cccnc3c3ncccc3c2[nH]1	587027571	SBPJHLINYBWFDZ-CYBMUJFWSA-N	331.404	3.769	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3ncccc3c1[N+](=O)[O-])O2	587389638	MGJSODFFRQKQEL-KRWDZBQOSA-N	349.346	3.740	5	1	EHBF	
N[C@@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc2ccccc12	587258205	AJQPRVVCLCXJAV-INIZCTEOSA-N	332.363	3.867	5	1	EHBF	
Cc1cc2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2cc1[N+](=O)[O-]	587139165	ZCCAQCKXVPLQKE-UHFFFAOYSA-N	335.285	3.982	5	1	EHBF	
Oc1nc(N2CCOCC2)nc2ccc3c4ccccc4sc3c12	1857615019	INWYHBWZUJWHGW-UHFFFAOYSA-N	337.404	3.540	5	1	EHBF	
O=C(c1cnn(-c2ccccc2)c1)c1coc2cc([N+](=O)[O-])ccc12	587280005	XZDPSMSWWDSCLZ-UHFFFAOYSA-N	333.303	3.758	5	1	EHBF	
CC[N+](CC)(CC)Cc1c2ccoc2c(OC)c2oc(=O)ccc12	5955362	GAKMLJGOYSEMOW-UHFFFAOYSA-N	330.404	3.924	5	1	EHBF	
O=C(O)Cc1c(-c2ccc(F)cc2F)[nH]c2cccc([N+](=O)[O-])c12	587645862	MUVXMKCGKGYMQD-UHFFFAOYSA-N	332.262	3.648	5	1	EHBF	
O=C(Cc1cc2c3c(cccc3n1)CC2)OCc1ccc([N+](=O)[O-])cc1	587210452	CEVHBMOHNPGEKU-UHFFFAOYSA-N	348.358	3.528	5	1	EHBF	
COC(=O)c1c(Cc2cccc([N+](=O)[O-])c2)[nH]c2cccc(F)c12	587635374	GDSKJWSASPFUDP-UHFFFAOYSA-N	328.299	3.593	5	1	EHBF	
CC/N=c1/cc2oc3cc(NCCN)c4ccccc4c3nc-2cc1C	29059376	FKOOLIPBFZNWIT-KQWNVCNZSA-N	346.434	3.685	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)cc1[N+](=O)[O-])O2	587378167	MONZTDUQFYHCIV-OAHLLOKOSA-N	332.743	3.845	5	1	EHBF	
Cc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1NCCc2ccc(O)cc21	963342009	QCLGIUNJBIXWLT-HXUWFJFHSA-N	349.390	3.635	5	1	EHBF	
O=[N+]([O-])c1cccc(Cn2c(CN3CCCC3)nc3ccccc32)c1	96285128	NBRAMQHMXUXFRP-UHFFFAOYSA-N	336.395	3.589	5	1	EHBF	
C[C@](O)(c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F	587645459	VYLXTOQBCQWUIN-JTQLQIEISA-N	342.195	3.865	5	1	EHBF	
Cc1nc(-c2c[nH]cc2-c2nc3cccc([N+](=O)[O-])c3[nH]2)cs1	587021792	QWSSIWVWQASQCZ-UHFFFAOYSA-N	325.353	3.898	5	1	EHBF	
COc1ccc(C(=O)CCc2ccc([N+](C)(C)C)cc2)cc1OC	13586894	ZDNNJSHEGAEPON-UHFFFAOYSA-N	328.432	3.716	5	1	EHBF	
C[C@H](CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)CC(=O)O	587962105	ACCPODPFRWHUKY-LLVKDONJSA-N	334.379	3.703	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@@H](c1cc(O)cc([N+](=O)[O-])c1)CC2=O	587473493	WCVNWJTVWCCPKP-QGZVFWFLSA-N	343.335	3.665	5	1	EHBF	
COc1cc2oc3c(O)cccc3c(=O)c2c(O)c1CC=C(C)C	14819722	INFMYEMPDJIILH-UHFFFAOYSA-N	326.348	3.875	5	1	EHBF	endogenous,in-man
CS(=O)(=O)Nc1ccc(-c2cnc3ccc4ccncc4c3c2)cc1	28957595	ACBWHQJSKCXNTA-UHFFFAOYSA-N	349.415	3.822	5	1	EHBF	
CCn1s/c(=N/c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1	103188495	MJBHECNMMXOFNZ-WUKNDPDISA-N	326.381	3.772	5	1	EHBF	
C[C@H](O)c1ncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)s1	587022807	ZBXLNALPEJXWDZ-VIFPVBQESA-N	347.403	3.836	5	1	EHBF	
CCn1cc(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)c(C)n1	587646632	YLVBZENHXHDYCN-UHFFFAOYSA-N	348.309	3.770	5	1	EHBF	
O=C1C[C@@H](c2cccc([N+](=O)[O-])c2O)Oc2c1ccc1c2CCCC1	587511121	NKAXNQLWXASGKU-KRWDZBQOSA-N	339.347	3.886	5	1	EHBF	
O=S(=O)(Nc1ccc2nc3ccccc3nc2c1)c1ccccc1	96935014	UMGYPMGVSLNVCM-UHFFFAOYSA-N	335.388	3.584	5	1	EHBF	
CN(C)Cc1ccc(-c2cccc(CNc3[nH]ccc3[N+](=O)[O-])c2)o1	101336197	XSYLGUDDSCLHJP-UHFFFAOYSA-N	340.383	3.857	5	1	EHBF	
Nc1ccnc2c1nc(-c1ccc([N+](=O)[O-])cc1)n2Cc1ccccc1	1857634083	AEKZLKDWGCWSFP-UHFFFAOYSA-N	345.362	3.637	5	1	EHBF	
COc1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2n1	587047831	OLRMYCHSBAYQJG-UTCJRWHESA-N	330.731	3.699	5	1	EHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cc(Cl)ccc1O	587645167	YNXXSTZFBOQQIH-UHFFFAOYSA-N	330.727	3.975	5	1	EHBF	
Nc1nc(Nc2ccccc2)sc1C(=O)c1cccc([N+](=O)[O-])c1	96905501	ACIOMPFLDCPKIS-UHFFFAOYSA-N	340.364	3.608	5	1	EHBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(C(F)(F)F)cc2[nH]1	587267816	RKUKCTDNXNRFOO-QMMMGPOBSA-N	339.277	3.604	5	1	EHBF	
O=c1c2ccccc2oc2ccc(OCCO[C@H]3CCCCO3)cc12	29544310	RDQXPRFETTXEAT-IBGZPJMESA-N	340.375	3.868	5	1	EHBF	
CC[C@H](COc1cccc([N+](=O)[O-])c1)OC(=O)NCc1ccccc1	38275645	OAEJBIPRPARBKW-MRXNPFEDSA-N	344.367	3.679	5	1	EHBF	
O=C(c1c(F)cccc1[N+](=O)[O-])c1coc2cc([N+](=O)[O-])ccc12	587280253	PTFWTJSSODBXGJ-UHFFFAOYSA-N	330.227	3.619	5	1	EHBF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(O)cc([N+](=O)[O-])c2)N1	962940552	CXASDLOARGLWHT-KPZWWZAWSA-N	337.379	3.795	5	1	EHBF	
COc1cc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2cc1C	587261408	AYXMXYHCVSZNJZ-UHFFFAOYSA-N	341.367	3.718	5	1	EHBF	
COc1ccc2cc3c4c(cc(OC)c(O)c4c2c1OC)CCN3C	13408677	JBRXGCUFNVHPJC-UHFFFAOYSA-N	339.391	3.717	5	1	EHBF	biogenic
O=C1C[C@@]2(Cc3cccc([N+](=O)[O-])c3C2)Oc2c1ccc1c2CCCC1	587513964	WAKRFQQJXRHGOW-NRFANRHFSA-N	349.386	3.976	5	1	EHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc(Cl)cn1	587645353	ROQQPPMMONRBGY-UHFFFAOYSA-N	330.731	3.685	5	1	EHBF	
O=C1CCC(c2ccccc2)(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1	586877935	XSTNZGTZLXYESL-UHFFFAOYSA-N	335.363	3.900	5	1	EHBF	
CC(C)(C)OC(=O)N1[C@@H](/C=C/c2ccc([N+](=O)[O-])cc2)COC1(C)C	113977179	WLIKPKSOCKMSQK-SHQCLWGWSA-N	348.399	3.980	5	1	EHBF	biogenic
COc1ccc(CCCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1OC	587926218	VEDUVFZDDARMIH-UHFFFAOYSA-N	341.367	3.664	5	1	EHBF	
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)Nc2sc3ccccc3c21	2492682	QJHBWEULMDKXEA-AWEZNQCLSA-N	325.349	3.664	5	1	EHBF	
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	28867645	ZAVGGNVFCVGTHW-UHFFFAOYSA-N	329.400	3.839	5	1	EHBF	
Cn1c2ccccc2c(=NNc2cccc(C(=O)O)c2)c2ccccc21	73404379	TVCIJDBKELBLJP-UHFFFAOYSA-N	343.386	3.958	5	1	EHBF	
O=c1c2cc(Cl)cc(Cl)c2ncn1-c1ccc([N+](=O)[O-])cc1	653713186	WATDPBVFKKDXPG-UHFFFAOYSA-N	336.134	3.601	5	1	EHBF	
CCn1cc(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)c(C)n1	587646247	MDXVDUWYTRGYHD-UHFFFAOYSA-N	348.309	3.770	5	1	EHBF	
O=C(c1c(F)ccc([N+](=O)[O-])c1F)c1coc2cc([N+](=O)[O-])ccc12	587279998	GHLSZCNDDJWUIU-UHFFFAOYSA-N	348.217	3.758	5	1	EHBF	
Cc1ccc(/C=C/c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1F	587146532	PFPUUSRJXJEJIP-SNAWJCMRSA-N	342.286	3.997	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3ccc([N+](=O)[O-])cc31)O2	587388607	DPFKLNUDUBCPNT-LJQANCHMSA-N	338.363	3.682	5	1	EHBF	
Cc1cc2nc(-c3oc4c(c3C)[C@H](O)CCC4)[nH]c2cc1[N+](=O)[O-]	586903376	JXSQFAZRCXBSKP-CYBMUJFWSA-N	327.340	3.718	5	1	EHBF	
O=C(O)C(=O)CC(=O)c1ccc2c(ccc3cc(Cl)ccc32)c1	96937904	HVPXIFZVUFQJGC-UHFFFAOYSA-N	326.735	3.873	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc([N+](=O)[O-])c1Cl)O2	587376469	DCHHFGJMKKKZFV-AWEZNQCLSA-N	332.743	3.845	5	1	EHBF	
O=C1Cc2nc3cccc4c3c(c2[C@H](c2ccc([N+](=O)[O-])cc2)C1)CC4	587210455	CGYFZJZBMZEWPB-KRWDZBQOSA-N	344.370	3.889	5	1	EHBF	
COc1ccc(-c2cc(-c3ccccc3[N+](=O)[O-])no2)c([N+](=O)[O-])c1	209982770	WYVCPORYTFWUJS-UHFFFAOYSA-N	341.279	3.834	5	3	EHBF	
O=C(O)Cc1c(-c2ccc(F)cc2F)[nH]c2cc([N+](=O)[O-])ccc12	587646197	WQZKAHGSPQFKMY-UHFFFAOYSA-N	332.262	3.648	5	1	EHBF	
O=C1c2ccoc2CC[C@H]1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586907995	PSEBXOCJGKJWFO-QMMMGPOBSA-N	345.742	3.705	5	1	EHBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(F)cc3[nH]2)c1	587269962	ULMFUCORDJTXPZ-UHFFFAOYSA-N	326.331	3.877	5	1	EHBF	
O=[N+]([O-])c1cccc(-c2ccc([C@H]3NCCc4ccc(O)cc43)o2)c1	963341091	KBCITKFDVQIKPE-IBGZPJMESA-N	336.347	3.796	5	1	EHBF	
c1ccc2c(NCCN3CCOCC3)c3oc4ccccc4c3nc2c1	13675786	JWSYIUWYIMZTGN-UHFFFAOYSA-N	347.418	3.878	5	1	EHBF	
Nc1cc(F)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1N	587137380	XKTYGXPILOBKEA-UHFFFAOYSA-N	344.353	3.630	5	1	EHBF	
CO[C@@H](C)COC1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1	587950575	BPTSUXGFBLDFHU-DCBWTQNWSA-N	333.388	3.549	5	1	EHBF	
C[C@@H]1C[C@@H](C)CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C1	28960247	RXWSPCMNUBQQNB-CHWSQXEVSA-N	343.383	3.922	5	1	EHBF	
C[C@H]1CC(C)(C)c2c(cc(O)c3c(=O)c4c(O)ccc(O)c4oc23)O1	2356455392	RCFWDACKYHHAJT-QMMMGPOBSA-N	342.347	3.512	5	1	EHBF	
CC(=O)Nc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	2356839146	DVHXZLWEJPHDRW-UHFFFAOYSA-N	327.296	3.632	5	1	EHBF	
Cn1nc(-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)c2ccccc21	84731950	MFQMQTBPUNYATG-UHFFFAOYSA-N	346.350	3.682	5	1	EHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1-n1cc(C(F)(F)F)ccc1=O	587646198	LOEUHGHLVIYCAC-UHFFFAOYSA-N	337.257	3.554	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)cc1[N+](=O)[O-])O2	587385711	PJKFGJKDDHHBFF-KRWDZBQOSA-N	330.315	3.505	5	1	EHBF	
COc1ccccc1CNc1cc(-c2cccc([N+](=O)[O-])c2)ncn1	82161758	UAOXTVORGDSECV-UHFFFAOYSA-N	336.351	3.673	5	1	EHBF	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ncc[nH]c-2n1	586972700	KORKLERTJAFTNV-UHFFFAOYSA-N	329.385	3.628	5	1	EHBF	
O=C1C[C@@H](c2ccc(O)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1	587511588	QNKRBNCIOAJYIQ-SFHVURJKSA-N	339.347	3.886	5	1	EHBF	
O=[N+]([O-])c1ccc(-c2nnc(/C=C/c3ccc4c(c3)OCO4)o2)cc1	96284415	LGMUVAKAUXXQQU-KRXBUXKQSA-N	337.291	3.544	5	1	EHBF	
O=C1NC(=O)c2c1c1c3cccnc3ccc1c1[nH]c3ccccc3c21	13488696	WRXYFCNTCPKUDK-UHFFFAOYSA-N	337.338	3.906	5	1	EHBF	
O=c1ccc2c3c(cc[n+]2Cc2ccc(F)cc2)c2ccccc2n13	653806047	GLTHRWNOYIEWDO-UHFFFAOYSA-N	329.354	3.519	5	1	EHBF	
CCOC(=O)CCc1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12	587645246	MFGBSEODLKMLRK-UHFFFAOYSA-N	330.262	3.591	5	1	EHBF	
CN(c1ccc(C(=O)O)cc1)c1cccc2nc3c(O)cccc3nc12	66104549	REOKRAKOSOITAV-UHFFFAOYSA-N	345.358	3.955	5	1	EHBF	
COc1c2c(cc3c(=O)c4ccc(O)cc4oc13)CCC(C)(C)O2	96928329	OCXHATBRLAPHGP-UHFFFAOYSA-N	326.348	3.764	5	1	EHBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc3ccccc3cc2[nH]1	587270575	NRARKSPUKIWFDK-INIZCTEOSA-N	332.363	3.867	5	1	EHBF	
O=C(Cc1ccc2c(c1)OCCO2)c1coc2cc([N+](=O)[O-])ccc12	587279483	JLHVYYLQKZJKCQ-UHFFFAOYSA-N	339.303	3.538	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cccnc3c1[N+](=O)[O-])O2	587391751	YGSQLEAEDRVSGH-INIZCTEOSA-N	349.346	3.740	5	1	EHBF	
O=C(c1ccncc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12	587645595	ZESPQCGAVYBYCI-UHFFFAOYSA-N	335.241	3.721	5	1	EHBF	
O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccc(Cn3ccnc3)cc12	103170623	YEOKXXZNOHPZMP-UHFFFAOYSA-N	347.330	3.613	5	1	EHBF	
CCc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-]	587432361	JOPZMOKBQCLOCZ-AUUYWEPGSA-N	339.347	3.655	5	1	EHBF	
COc1cc2[nH]c(=O)c3cc(C)cc4c(Cl)nc(c1OC)c2c43	6522247	ZUTMMPTZGWORKY-UHFFFAOYSA-N	328.755	3.646	5	1	EHBF	
O=c1c([C@H](c2ccc([N+](=O)[O-])cc2)n2ccnc2)coc2ccccc12	13675767	GQUCRMYPRQVAIK-SFHVURJKSA-N	347.330	3.535	5	1	EHBF	
C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1	587960753	BETXUWQIVKGPSX-RYUDHWBXSA-N	330.391	3.817	5	1	EHBF	
C[C@H]1CCO[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C1	586917941	YSIFBHAJRYGYTG-CPCISQLKSA-N	340.177	3.721	5	1	EHBF	
CC(=O)Oc1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1C	587279883	RWTNJBWKHPUXHF-UHFFFAOYSA-N	339.303	3.806	5	1	EHBF	
CN(C)C1C=CC(=C2C=CN(Cc3ccccc3[N+](=O)[O-])C=C2)C=C1	2356833399	GRVFLLUNINUWEI-UHFFFAOYSA-N	335.407	3.791	5	1	EHBF	
O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3ncnc(Cl)c3[nH]2)o1	587264502	GZUYZSRZPRLRAC-UHFFFAOYSA-N	341.714	3.842	5	1	EHBF	
COC(=O)c1cc2ccc(OC)cc2c2cc(OC)c(OC)cc12	61704718	KEBJQGAVCWJAMM-UHFFFAOYSA-N	326.348	3.805	5	3	EHBF	
O=[N+]([O-])c1ccc(-c2cc([C@@H]3C[C@H]4CC[C@H]3N4)cnc2Cl)cc1	328577283	GARDWGOCKJCKJY-IVMMDQJWSA-N	329.787	3.918	5	1	EHBF	in-vitro
COc1cncc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12	587047326	GLSICYJPRQPXPJ-HWKANZROSA-N	330.731	3.699	5	1	EHBF	
O=C(c1ccccn1)c1c(-c2ccco2)[nH]c2cccc([N+](=O)[O-])c12	587649709	XQTVOUOGBKUZNA-UHFFFAOYSA-N	333.303	3.962	5	1	EHBF	
COc1cc(C)ccc1OCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1	587565132	XTOWVOCSLYSANX-UHFFFAOYSA-N	327.340	3.676	5	1	EHBF	
Cc1nc2c([N+](=O)[O-])csc2c(=O)n1-c1ccc(C(C)C)cc1	1857570025	JIGBCKQTWPWWNQ-UHFFFAOYSA-N	329.381	3.787	5	1	EHBF	
C[C@H](O)[C@@](C)(CO)NCc1ccc2ccc3cccc4ccc1c2c34	26467993	XUHAATDMBCODLR-RCDICMHDSA-N	333.431	3.805	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1	587049028	GHPWPXMNUBPFLA-DUXPYHPUSA-N	345.702	3.598	5	1	EHBF	
O=Nc1c(-[c-]2c(=O)[nH]c3ccc([N+](=O)[O-])cc32)[nH]c2ccc(F)cc12	169723368	TUTMFSOYFHXRGZ-UHFFFAOYSA-N	339.262	3.841	5	1	EHBF	
COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])c(C)cc1F)[C@@H](C2)C3=O	587421924	BCLDVSZLRXECED-SGTLLEGYSA-N	343.310	3.540	5	1	EHBF	
O=[N+]([O-])c1cc(F)cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1	587160199	LORWBQHKCBWXCX-UHFFFAOYSA-N	329.184	3.834	5	1	EHBF	
O[C@H]1c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@@H]2O[C@@H]2[C@@H]1O	169354175	LBOOERJKINPNNR-LNRXMEIDSA-N	328.367	3.994	5	1	EHBF	
Cc1cc(N(C)Cc2nc3cc(Cl)ncc3[nH]2)c([N+](=O)[O-])cc1F	587136657	IBTFGGGKZRGTBW-UHFFFAOYSA-N	349.753	3.603	5	1	EHBF	
Cc1cc2[nH]c(CCC(=O)c3ccc(F)cc3)nc2cc1[N+](=O)[O-]	587162704	IBJSZKPYTIRDEG-UHFFFAOYSA-N	327.315	3.734	5	1	EHBF	
COc1ccc2nc3ccc(OC)cc3c(SC[C@H]3CO3)c2c1	5854525	RZJYXPKGGBAERB-CYBMUJFWSA-N	327.405	3.896	5	1	EHBF	
CN1CCN(c2c3c4ccccc4nc-3n(C)c3ccccc23)CC1	103172632	MGOXNDITRHCRKO-UHFFFAOYSA-N	330.435	3.583	5	1	EHBF	
C[C@@H](CN(C)C)Nc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12	28979825	ZUPYJOSFWLHERQ-AWEZNQCLSA-O	333.459	3.661	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])cc3cccnc13)O2	587390928	SKXWJEXUZYIBEH-QGZVFWFLSA-N	349.346	3.740	5	1	EHBF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N1	962938978	AZIYIGHBNIGIKC-YJYMSZOUSA-N	349.390	3.924	5	1	EHBF	
O=C(O)Cc1c(-c2cc(Cl)ccc2O)[nH]c2cccc([N+](=O)[O-])c12	587644613	HTKRIEIIVJZFCP-UHFFFAOYSA-N	346.726	3.729	5	1	EHBF	
O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(CO)ccc3[nH]2)o1	587265025	KZRVZPXGILHNDW-UHFFFAOYSA-N	335.319	3.890	5	1	EHBF	
Cc1ccc(-c2nc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)cs2)o1	587017387	VVVYFFAZSJDXFJ-UHFFFAOYSA-N	327.325	3.558	5	1	EHBF	
COC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12	587644765	BRTDLQXYTJVOGT-UHFFFAOYSA-N	338.188	3.517	5	1	EHBF	
COc1cc(-c2cc3c4c(cccc4n2)CC3)c([N+](=O)[O-])cc1OC	587211776	WQFJEUSHENRAFW-UHFFFAOYSA-N	336.347	3.926	5	1	EHBF	
Cc1ccc(CSCCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1	586970471	FIMOXNHAQXCKIZ-UHFFFAOYSA-N	328.397	3.650	5	1	EHBF	
NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587068796	DVNFZQMCRHBRHS-JTQLQIEISA-N	348.765	3.549	5	1	EHBF	
COc1ccc(C=O)cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587787990	UJPYHTVXWZMTFN-UHFFFAOYSA-N	331.715	3.613	5	1	EHBF	
CC(=O)c1c(C(F)(F)Br)[nH]c2cc([N+](=O)[O-])ccc12	587645462	VYRTWGWRYRTXMZ-UHFFFAOYSA-N	333.088	3.723	5	1	EHBF	
CCCN(CCC)[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21	13971762	ZIVJORSNNCRQFK-ROUUACIJSA-N	349.475	3.961	5	1	EHBF	
CCOc1ccc(C(=O)CN2[CH]C=Cc3ccccc32)cc1[N+](=O)[O-]	2356812880	WQCQWGGFEARAFQ-UHFFFAOYSA-N	337.355	3.871	5	1	EHBF	
O=C(O)c1ccc(NC(=O)c2cccc3c([N+](=O)[O-])cccc23)cc1	621476560	ULPVNUBHAFHZMD-UHFFFAOYSA-N	336.303	3.699	5	1	EHBF	
O=[N+]([O-])c1cccc(-c2cn(-c3cccc(Br)c3)nn2)c1	473082662	KNAHKBGHMRLVPO-UHFFFAOYSA-N	345.156	3.605	5	1	EHBF	
COc1ccc([C@@H](O)[C@H](C)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1	587936782	LYMSVBGVKBLZOO-GTNSWQLSSA-N	341.367	3.625	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12	587084458	ATFGUVWFYYKBLD-UHFFFAOYSA-N	325.715	3.735	5	1	EHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(F)c(F)c1	587645745	JEZNURIWAGRIHS-UHFFFAOYSA-N	331.278	3.915	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(C)cc1[N+](=O)[O-])O2	587389282	KJEXIQQGQACEMN-IBGZPJMESA-N	340.379	3.760	5	1	EHBF	
C[N+](C)(C)CCOc1cnc2c3c(cccc13)C(=O)c1ccccc1-2	71340714	YGCNKTQCSRVOMY-UHFFFAOYSA-N	333.411	3.531	5	1	EHBF	
O=[N+]([O-])c1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1	66111803	RRNFUERFLAQKGW-UHFFFAOYSA-N	333.391	3.757	5	1	EHBF	
COc1cccc2c1sc1ccc3[nH]c(C(=O)O)cc(=O)c3c12	169319949	MYUHFRPCNVOPKR-UHFFFAOYSA-N	325.345	3.603	5	1	EHBF	
C[C@H](CN(C)C)Nc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12	28979827	ZUPYJOSFWLHERQ-CQSZACIVSA-O	333.459	3.661	5	1	EHBF	
O=C(CCCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Cl)cn1	587081711	UONJYYQCJMOXDR-UHFFFAOYSA-N	344.758	3.725	5	1	EHBF	
COc1ccc(C[C@@H]2c3sc(C)cc3CC[N+]2(C)C)cc1OC	13648626	YNUBRIUFXBMGBO-MRXNPFEDSA-N	332.489	3.990	5	1	EHBF	
CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(CC[N+](C)(C)C)O2	12154	PUJGAVIVUXDQII-HXUWFJFHSA-N	334.480	3.717	5	1	EHBF	
CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1	3234346	LSVLWZWNUWQXTH-SJKOYZFVSA-N	347.371	3.544	5	1	EHBF	
Cc1cc2[nH]c([C@H](CN)Cc3ccc(Cl)cc3)nc2cc1[N+](=O)[O-]	587070810	UJVLKPGZLRLNMO-LBPRGKRZSA-N	344.802	3.718	5	1	EHBF	
O=C(O)CCc1c(-c2ccc(Cl)cn2)[nH]c2cc([N+](=O)[O-])ccc12	587645175	KEKPFYPAOWXPNK-UHFFFAOYSA-N	345.742	3.809	5	1	EHBF	
N=C(N)c1cccc(OCCCCCOc2ccc([N+](=O)[O-])cc2)c1	169318682	XUQGGXFSVXUKHK-UHFFFAOYSA-N	343.383	3.507	5	1	EHBF	
CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CC[N+](C)(C)C)O2	3644946	PUJGAVIVUXDQII-FQEVSTJZSA-N	334.480	3.717	5	1	EHBF	
COc1cc(CC=C(C)C)c(O)c2c(=O)c3cc(O)cc(O)c3oc12	14763081	AEUJUHBXLYQCMN-UHFFFAOYSA-N	342.347	3.580	5	1	EHBF	biogenic
C[C@@H]1CCCCN1c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1	28960212	WUDRMYQQZKAPEW-GFCCVEGCSA-N	329.356	3.819	5	1	EHBF	
O=[N+]([O-])c1ccc(Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	28637221	CEUUXYYPBICAHW-UHFFFAOYSA-N	343.324	3.765	5	1	EHBF	
Cc1ccc(C)c(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1	587959432	RJXITBOOEPRVOO-UHFFFAOYSA-N	326.312	3.587	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Cl	586902248	KIGAKIIXFYPMAS-BMIGLBTASA-N	329.743	3.694	5	1	EHBF	
O=C(c1ccccc1[N+](=O)[O-])n1nc2cc1Oc1ccc(F)cc1-2	587875933	VQHFYJSKLIPHTI-UHFFFAOYSA-N	325.255	3.392	5	1	EHBF	
O=[N+]([O-])c1cc(CSc2nc3ccccc3o2)cc([N+](=O)[O-])c1	3596432	UZXZHOKFIPNTRK-UHFFFAOYSA-N	331.309	3.937	5	1	EHBF	
CN1CCN(c2cnc3cccc(-c4cccc([N+](=O)[O-])c4)c3c2)CC1	71315773	UFFDJURAZSXLEW-UHFFFAOYSA-N	348.406	3.562	5	1	EHBF	
COc1cc(C)c2c(=O)c3c(OC)cc(OC)c(Cl)c3oc2c1	13386765	FELYSOHROAOGSQ-UHFFFAOYSA-N	334.755	3.934	5	1	EHBF	biogenic
Clc1ncc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cn1	587086142	UHTSRBZVLHYBOA-UHFFFAOYSA-N	332.754	3.770	5	1	EHBF	
Cc1ccccc1-c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(=O)n2[nH]1	96129289	WSTFGUABIJONQP-UHFFFAOYSA-N	346.346	3.573	5	3	EHBF	
CN(Cc1ccc2oc3ccc(Cl)cc3c(=O)c2c1)C(C)(C)CO	95589622	VTCHTMLZMBYJOA-UHFFFAOYSA-N	345.826	3.802	5	1	EHBF	
O=C(Oc1cc(O)c2c(=O)c3ccccc3oc2c1)c1ccccc1	653716309	YEZYWYXXVPXGTP-UHFFFAOYSA-N	332.311	3.871	5	1	EHBF	
O=[N+]([O-])c1cc(F)cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1	587160075	FMHLXYQFUUHNEA-UHFFFAOYSA-N	337.213	3.599	5	1	EHBF	
COc1cc2c(cc1OC)[C@H](c1ccsc1[N+](=O)[O-])N(C)[C@H](C)C2	962623967	CTQIIOWDXUBCDL-HWPZZCPQSA-N	348.424	3.639	5	1	EHBF	
O=C(c1ccc(F)c([N+](=O)[O-])c1)c1coc2cc([N+](=O)[O-])ccc12	587280400	WDAINHHPSMXVEE-UHFFFAOYSA-N	330.227	3.619	5	1	EHBF	
O=C1N[C@@H](O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21	6583880	PLHXPQPLYRWYLK-IBGZPJMESA-N	327.343	3.690	5	1	EHBF	in-vitro
CCCc1c(OCC2CCC2)c2c([N+](=O)[O-])c(F)ccc2[nH]c1=O	28463079	WFJLRAKVZMDAPA-UHFFFAOYSA-N	334.347	3.707	5	1	EHBF	
O=c1c(Cn2ccnc2)c(-c2ccc([N+](=O)[O-])cc2)oc2ccccc12	36088221	QRPSGPSYOIPDIF-UHFFFAOYSA-N	347.330	3.613	5	1	EHBF	in-vivo
CC[N@+]1(C)CCC[C@H](OCC(O)(c2ccccc2)c2ccccc2)C1	299818109	BHFHFYHGVIXFLC-JTHBVZDNSA-N	340.487	3.568	5	1	EHBF	
COc1ccc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(OC)c1C	587786212	DZLORVHNFBHOQL-UHFFFAOYSA-N	327.340	3.772	5	1	EHBF	
COc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc(OC)c1C	587279769	RLLPONZJRNTIAX-UHFFFAOYSA-N	341.319	3.898	5	1	EHBF	
Cc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc([N+](=O)[O-])c2)c1	36376351	BPIPJNURTQDQSA-KRWDZBQOSA-N	328.393	3.990	5	1	EHBF	
O=[N+]([O-])c1ccc(Nc2cc(Cl)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	84742002	LJCXUHJFYDCJFD-UHFFFAOYSA-N	338.663	3.808	5	1	EHBF	
O=c1c2cc3ccccc3cc2oc2cc(OC[C@H]3CO3)cc(O)c12	45370282	LMXRKPOKBMPLCH-AWEZNQCLSA-N	334.327	3.583	5	1	EHBF	
Cc1c(Cl)ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c12	587267200	GOUUSNLAKDHMAC-UHFFFAOYSA-N	333.779	3.801	5	1	EHBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC(c2ccc(Cl)cc2)=N1	13744693	BGXXLRSGNGWIOR-UHFFFAOYSA-N	343.770	3.889	5	1	EHBF	
CN(C)CCc1cc2cc[nH]c(=O)c2c2cc(Br)ccc12	28955841	XJKWACVVLUPVGC-UHFFFAOYSA-N	345.240	3.548	5	1	EHBF	
O=C1NC(=O)c2c1c1nc3ccccc3cc1c1[nH]c3ccccc3c21	13488698	NZMMZWZWITYZSS-UHFFFAOYSA-N	337.338	3.906	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc([N+](=O)[O-])ccc3o1)O2	587388644	FANSAGANGNZMCK-QGZVFWFLSA-N	338.319	3.938	5	1	EHBF	
CCOC(=O)CCc1c(-c2ccccn2)[nH]c2cccc([N+](=O)[O-])c12	587649447	VADSZPUPTFOXFF-UHFFFAOYSA-N	339.351	3.634	5	1	EHBF	
Cc1ccc(-c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c([N+](=O)[O-])c1	587649950	FFZMCZJHHJSMNX-UHFFFAOYSA-N	344.392	3.763	5	1	EHBF	
O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O	1857577315	NEVYGLZPYNCIPU-UHFFFAOYSA-N	341.150	3.537	5	1	EHBF	
CO[C@H](C)COC1CCC(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1	587950595	BPTSUXGFBLDFHU-LKSINWNRSA-N	333.388	3.549	5	1	EHBF	
O=C(c1cccnc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12	587644737	BNDKXUJYXZWBDG-UHFFFAOYSA-N	335.241	3.721	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2cc1[N+](=O)[O-]	587040642	IOMHERWBXXASOL-CQSZACIVSA-N	342.336	3.769	5	1	EHBF	
COc1ccccc1OCC(=O)c1coc2cc([N+](=O)[O-])ccc12	587278870	AHUZSEXQZLVTCR-UHFFFAOYSA-N	327.292	3.611	5	1	EHBF	
Cc1c(-c2nc3ccnc(Br)c3[nH]2)cccc1[N+](=O)[O-]	587260866	JTHRFQUUXHNTRT-UHFFFAOYSA-N	333.145	3.604	5	1	EHBF	
COc1cc2cc[n+](C)c3c4c5c(ccc4cc-3c2cc1OC)OCO5	85994961	PDGBHADTJXNQNU-UHFFFAOYSA-N	348.378	3.668	5	1	EHBF	
Nc1cccc(O)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1	587250979	VOFOCGHRLGVPLL-UHFFFAOYSA-N	327.347	3.614	5	1	EHBF	
O=[N+]([O-])c1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1F	587091113	BEOUXFDJMUQTBU-UHFFFAOYSA-N	344.224	3.760	5	1	EHBF	
O=C(c1c(-c2ccccn2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F	587645054	IXJOAQYYASJERN-UHFFFAOYSA-N	335.241	3.883	5	1	EHBF	
Cc1noc(C)c1[C@@H](c1ccc(C(C)C)cc1)N1CC[N+](C)(C)CC1	28250452	HGXVOQYDMPTWTI-OAQYLSRUSA-N	342.507	3.896	5	1	EHBF	
CC(C)(C)C(=O)Nc1cccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1	587242246	PVJIYNHGPHYSFO-UHFFFAOYSA-N	339.355	3.518	5	1	EHBF	
COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1[N+](=O)[O-])[C@@H](C2)C3=O	587424346	ZJJAFVMHSNMEPY-DYZYQPBXSA-N	345.738	3.746	5	1	EHBF	
COc1c(O)ccc2c(=O)c3c(O)cc4c(c3oc12)C=CC(C)(C)O4	14560104	ZGHHMHPIMXCGLQ-UHFFFAOYSA-N	340.331	3.550	5	1	EHBF	biogenic
CCCCNc1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1	96910796	KCWQVKTULHOUQA-UHFFFAOYSA-N	347.318	3.796	5	1	EHBF	
CN(C)CCCNC(=O)c1cc2c3ccccc3oc2c2cccnc12	96921198	AJJWJPVFIZZLJT-UHFFFAOYSA-N	347.418	3.816	5	1	EHBF	
O=C(c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F	587644681	AKBNEHOMPPUEIO-UHFFFAOYSA-N	326.152	3.840	5	1	EHBF	
Cc1cc2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc2cc1[N+](=O)[O-]	587177441	JIUBZJXMSUERAI-UHFFFAOYSA-N	341.346	3.581	5	1	EHBF	
O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1	587160221	MRSNXGSZYHKBBX-UHFFFAOYSA-N	327.102	3.979	5	1	EHBF	
COc1cc(F)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(F)c1	587279982	FTLNFUIUKUVLFU-UHFFFAOYSA-N	333.246	3.859	5	1	EHBF	
O=C(Cc1ccc([N+](=O)[O-])cc1)c1coc2cc([N+](=O)[O-])ccc12	587279972	XFIBRURRJSJFEY-UHFFFAOYSA-N	326.264	3.675	5	1	EHBF	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587433045	MJXLISOLUQMMKF-LIRRHRJNSA-N	339.347	3.575	5	1	EHBF	
C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1	587960752	BETXUWQIVKGPSX-NWDGAFQWSA-N	330.391	3.817	5	1	EHBF	
Cn1cc2ccc3ncc4c(O)n(-c5ccc(Cl)cc5)nc4c3c2n1	26580235	IFQJAKNIQLCFSM-UHFFFAOYSA-N	349.781	3.819	5	1	EHBF	
O=C(O)c1ccc2ccc3ccc(Br)cc3c(=O)c2c1	169347790	KVECVVCDEAYXFJ-UHFFFAOYSA-N	329.149	3.814	5	1	EHBF	
COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1OC	49070580	UWYNWZVLBZCZCF-UHFFFAOYSA-N	325.324	3.669	5	1	EHBF	
Cc1ncsc1-c1c[nH]cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1	587027956	JNXLCNIVKXZWEP-UHFFFAOYSA-N	325.353	3.898	5	1	EHBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(C)(C)C)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	587265316	WCDLDPIIBDIAQF-MRVWCRGKSA-N	343.427	3.521	5	1	EHBF	
CCn1ncc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)c1C	587646243	MCVXEHASDXHUBY-UHFFFAOYSA-N	348.309	3.716	5	1	EHBF	
O=C1C[C@H]2c3ccc4ccccc4c3O[C@H]2N1c1cccc([N+](=O)[O-])c1	98085251	XDNJVQXZJWNULB-FXAWDEMLSA-N	346.342	3.987	5	1	EHBF	
Cc1c(F)c(=O)oc2c1c1c(c3oc([N+](=O)[O-])cc32)CCC(C)(C)O1	169342965	CLIJGTKQOGRRCP-UHFFFAOYSA-N	347.298	3.999	5	1	EHBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Cl)cc(Cl)c2[nH]1	587267798	RCUCHAXCHSONOY-ZETCQYMHSA-N	340.170	3.892	5	1	EHBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1	587269015	HCVKCNIECPTKKR-UHFFFAOYSA-N	348.366	3.615	5	1	EHBF	
Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2Cn2cncn2)cc1	587647435	IGTYIMVEUFGOBY-UHFFFAOYSA-N	333.351	3.691	5	1	EHBF	
O=[N+]([O-])c1cc(/C=C/c2nc3ccc(CO)cc3[nH]2)ccc1Cl	587048811	YSWCYYZLMQTPDG-ZZXKWVIFSA-N	329.743	3.787	5	1	EHBF	
CC(C)(C)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1	587274713	ZPMXFWJKFKLMCK-UHFFFAOYSA-N	327.388	3.598	5	1	EHBF	
COC(=O)Nc1ccc2cc3ccc(NC(=O)OC)cc3nc2c1	43020266	XYBVJOPDEDYVLC-UHFFFAOYSA-N	325.324	3.745	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12	587021959	RQXXWZZYCBZDJF-UHFFFAOYSA-N	337.364	3.580	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@@](CC)(CC[C@@H](C)[N+](=O)[O-])CC2=O	587473673	ZEBCDIWLYHXFAS-XIKOKIGWSA-N	335.400	3.904	5	1	EHBF	
O=C1NC(=O)c2c1c1c(ccc3cccnc31)c1[nH]c3ccccc3c21	13488697	PWNVUSXUQGIMED-UHFFFAOYSA-N	337.338	3.906	5	1	EHBF	
CC(=O)Oc1cc(/C=C/c2ccc([N+](=O)[O-])o2)nc2c(O)cccc12	45338678	NRYGFRLHHWNYOO-AATRIKPKSA-N	340.291	3.537	5	1	EHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)NCc1ccc(Cl)cc1	587645280	NSTMGEFZRRFAJU-UHFFFAOYSA-N	343.770	3.968	5	1	EHBF	
Cc1cc(O)c(NCCCN(C)C)c2c(=O)c3ccccc3sc12	5390209	NAKHPTXIXJMMRR-UHFFFAOYSA-N	342.464	3.792	5	1	EHBF	
O=C(CN1[CH]C=CC(Cc2ccccc2)=C1)c1cccc([N+](=O)[O-])c1	2356865521	IQZHTJZJGTZZJR-UHFFFAOYSA-N	333.367	3.938	5	1	EHBF	
CCOC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1cccc(F)c1	587645802	KTBPGNKYXLQGRH-UHFFFAOYSA-N	342.326	3.988	5	1	EHBF	
COc1ccc(Nc2ccc3nnn4c5ccccc5c(=O)c2c34)cc1	101321776	BOWWHPIEOBHQRB-UHFFFAOYSA-N	342.358	3.586	5	1	EHBF	
O=[N+]([O-])c1cccc2[nH]c(-c3cccc(F)c3)c(C3OCCO3)c12	587645712	IKQNGTPRUIQHPC-UHFFFAOYSA-N	328.299	3.928	5	1	EHBF	
O=[N+]([O-])c1cc(O)ccc1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21	963118516	ZPGIYPIGFLQYCO-SCLBCKFNSA-N	328.343	3.549	5	1	EHBF	
COc1ccc(NC(C)(C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1	587201524	QLFKXNLHXSZSAR-UHFFFAOYSA-N	326.356	3.827	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])c(Cl)c1)O2	587377800	ZHMJATYLSRCNCK-HNNXBMFYSA-N	332.743	3.845	5	1	EHBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(F)cc(F)c3[nH]2)c1	587261385	AILZJFNRVOFVTL-UHFFFAOYSA-N	333.294	3.679	5	1	EHBF	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccnc(Cl)c3[nH]2)c1F	587138894	AOZJZEVVNZJMOB-UHFFFAOYSA-N	327.102	3.979	5	1	EHBF	
Oc1c/c(=N\C[C@@H](O)c2ccccc2)oc2c1ccc1ccccc12	13676962	MVSXIKQVGYVGNV-ABDBUPHLSA-N	331.371	3.926	5	1	EHBF	
C[C@@H](O)CN(C)c1nc2cc(-c3ccccc3)nnc2c2ccccc12	28761512	OKKPPAJEVLEIKD-CQSZACIVSA-N	344.418	3.662	5	1	EHBF	
O=c1c2ccc3ccccc3c2oc2cc(OC[C@@H]3CO3)cc(O)c12	45368997	IMGIRVFTUXJYOO-CYBMUJFWSA-N	334.327	3.583	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12	587074043	PJDZUFQVLYFIPY-UHFFFAOYSA-N	328.759	3.794	5	1	EHBF	
CSc1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1	587149995	XUFDHIWKLMCWIS-UHFFFAOYSA-N	333.344	3.911	5	1	EHBF	
CCOC(=O)c1cnc2c(Cl)c(Cl)c3ncccc3c2c1O	28713560	VPEQQJLRVJRTHV-UHFFFAOYSA-N	337.162	3.972	5	1	EHBF	
Cn1nc(C(F)(F)F)cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587117846	LRSQAEQBLWUZPU-UHFFFAOYSA-N	345.668	3.544	5	1	EHBF	
O=c1c2ccc3ccccc3c2oc2cc(OC[C@H]3CO3)cc(O)c12	45369002	IMGIRVFTUXJYOO-ZDUSSCGKSA-N	334.327	3.583	5	1	EHBF	
Cc1ccc(-c2ccc(C(=O)Nc3ncc([N+](=O)[O-])s3)o2)cc1	95559589	NIYGAZALVJKYRT-UHFFFAOYSA-N	329.337	3.872	5	1	EHBF	
COc1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cc1Cl	587270334	MHEAGSNMSSXISP-UHFFFAOYSA-N	331.759	3.918	5	1	EHBF	
Cc1ccc([C@@H](C)[C@H](O)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1	586893685	WLBKOZRRWSPZLF-HWPZZCPQSA-N	329.331	3.756	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)ccc1[N+](=O)[O-])O2	587384406	CLBWNTIXINBDHW-QGZVFWFLSA-N	330.315	3.505	5	1	EHBF	
CC[C@H]1C[N+]2(c3ccnc4ccc(O[C@@H](C)CO)cc34)CCC1CC2	169338024	XWILDVMVRIRIDF-RVSBLVPGSA-N	341.475	3.752	5	1	EHBF	
CC(CO)(CO)NCc1cccc2ccc3c4ccccc4ccc3c12	3644659	TYJKDKFVEBTYJO-UHFFFAOYSA-N	345.442	3.979	5	1	EHBF	
Cc1c(-c2nc3ccc(O)cc3[nH]2)cc(Br)cc1[N+](=O)[O-]	586979732	JQFYTVFHOKGTDZ-UHFFFAOYSA-N	348.156	3.915	5	1	EHBF	
Cc1ccc2c3c(c4c(nc13)C[C@@H](C[N+](=O)[O-])C4)-c1ccccc1C2=O	587099193	YWIUMNRPZXVYBH-LBPRGKRZSA-N	344.370	3.746	5	1	EHBF	
O=[N+]([O-])c1ccc(Cc2nc3cccc(Cl)c3[nH]2)c([N+](=O)[O-])c1	587263858	GXOHDGJZJQKGKS-UHFFFAOYSA-N	332.703	3.624	5	1	EHBF	
COCCOc1ccc(-c2nc3cc(C)cc(C)c3[nH]2)cc1[N+](=O)[O-]	587266047	UUQLWKCJEKEFFR-UHFFFAOYSA-N	341.367	3.780	5	1	EHBF	
COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccc(C)c([N+](=O)[O-])c1	963610296	OWRAONZPEHKFGX-CWTRNNRKSA-N	342.395	3.544	5	1	EHBF	
O=[N+]([O-])c1ccc(C2=NN[C@H](c3ccc(Br)cc3)C2)cc1	98085539	UDPSBKYSVRAFIW-AWEZNQCLSA-N	346.184	3.796	5	1	EHBF	
O=C(Cc1ccccc1[N+](=O)[O-])n1nc2cc1Oc1ccc(F)cc1-2	587876143	ZVBLRTVYTWILKE-UHFFFAOYSA-N	339.282	3.586	5	1	EHBF	
COc1cc2c3c(c1)O[C@](C)(c1ccc([N+](=O)[O-])cc1C)[C@@H](C2)C3=O	587431805	GVJZTNCYTIISQK-HNAYVOBHSA-N	339.347	3.575	5	1	EHBF	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(N)ccnc2[nH]1	586973442	OLEQUPPHVTXIKR-UHFFFAOYSA-N	343.412	3.863	5	1	EHBF	
O=C(Cc1ccc(Cl)cc1)c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1	587070309	GYXWEGUEGVZWFP-UHFFFAOYSA-N	333.706	3.689	5	1	EHBF	
O=C(c1cccc2c(Cl)c3ccccc3nc12)N1CCOCC1	27653370	BQEMNRONVKXUMR-UHFFFAOYSA-N	326.783	3.514	5	1	EHBF	
O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1cccc(Cl)c1	299865218	STVJFLZZSDJLKF-UHFFFAOYSA-N	329.743	3.819	5	1	EHBF	
O=C(COc1ccccc1[N+](=O)[O-])c1coc2cc([N+](=O)[O-])ccc12	587279994	XRQRSIZQZCOKSA-UHFFFAOYSA-N	342.263	3.511	5	1	EHBF	
CCc1ccc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2c1	587262476	AFVAACVUUSPNOU-UHFFFAOYSA-N	327.340	3.621	5	1	EHBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cccc(C(F)(F)F)c2[nH]1	587267712	PFYNYNLNJGPJGZ-QMMMGPOBSA-N	339.277	3.604	5	1	EHBF	
Cc1ccccc1CNC(=O)Nc1nsc2ccc([N+](=O)[O-])cc12	136582268	YJIOFCYAFQODDQ-UHFFFAOYSA-N	342.380	3.835	5	1	EHBF	
CCOc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)cc1	48298154	IQYKFAZZFZFCKA-UHFFFAOYSA-N	325.324	3.727	5	1	EHBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccnc(Cl)c3[nH]2)c1	587270405	XFPRHBLUSHONTP-UHFFFAOYSA-N	343.774	3.787	5	1	EHBF	
COc1ccc2c(c1O)OC(C)(C)C=C2c1cccc([N+](=O)[O-])c1	169330243	WDLOIAZIBRDKRD-UHFFFAOYSA-N	327.336	3.912	5	1	EHBF	
CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1	3234345	LSVLWZWNUWQXTH-SJCJKPOMSA-N	347.371	3.544	5	1	EHBF	
COc1c2c(cc3c(=O)c4c(O)ccc(O)c4oc13)C=CC(C)(C)O2	238749815	LKOMJPUWPBDHAJ-UHFFFAOYSA-N	340.331	3.550	5	1	EHBF	
O=C1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(Cl)cc2)N1	103154859	JPDQEQSHAFPVBF-CQSZACIVSA-N	329.743	3.892	5	1	EHBF	
CN(C)Cc1ccc(-c2cccc(Nc3[nH]ccc3[N+](=O)[O-])c2)o1	101344623	FCVQVRVNPCWHDM-UHFFFAOYSA-N	326.356	3.988	5	1	EHBF	
CCCc1sc(=N)[nH]c1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587013618	UMJOHQHYRHEZGI-UHFFFAOYSA-N	337.792	3.613	5	1	EHBF	
Cc1oc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-]	587269125	QILTVZIXTLXLIS-UHFFFAOYSA-N	347.640	3.502	5	1	EHBF	
COc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1	587097652	MGEBTANSJAVEBE-UHFFFAOYSA-N	338.245	3.561	5	1	EHBF	
Cc1cc(NC(=O)c2cccs2)nc2c1c(=O)oc1ccccc12	428476	KSYBNBDNDHWNFX-UHFFFAOYSA-N	336.372	3.963	5	1	EHBF	
O=[N+]([O-])c1c[nH]nc1-c1nc(-c2ccc(Oc3ccccc3)cc2)no1	299868947	SUDAJVOGSVSFBY-UHFFFAOYSA-N	349.306	3.827	5	1	EHBF	
C[C@H](O)c1ncc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)s1	587022773	XXFFOWSQQVASPC-VIFPVBQESA-N	347.403	3.836	5	1	EHBF	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H]3C[N+](=O)[O-]	587105278	WLDLDJSONGZASF-NSHDSACASA-N	330.343	3.753	5	1	EHBF	
O=[N+]([O-])c1cc(/C=C\c2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1Cl	587051217	YXIVYLCVMCPGDK-RQOWECAXSA-N	345.702	3.598	5	1	EHBF	
COCCNc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-]	587261705	GVWDMRNEOPGXNT-UHFFFAOYSA-N	326.356	3.505	5	1	EHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1c([N+](=O)[O-])ccc(O)c1F	587645729	JANATHGNNSQLOZ-UHFFFAOYSA-N	331.259	3.804	5	1	EHBF	
O=[N+]([O-])c1cc(Cl)ccc1C[C@H](O)c1ccc(-n2cccn2)cc1	1857640324	HSIPWIIFEHPZCL-KRWDZBQOSA-N	343.770	3.710	5	1	EHBF	
Cc1ccc2nc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[nH]c2c1	32066846	LYIVMVDNNCGLAD-UHFFFAOYSA-N	344.352	3.980	5	1	EHBF	
COc1cncc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12	587270725	RGASUGCECXRZGP-UHFFFAOYSA-N	347.334	3.604	5	1	EHBF	
N[C@@H](N=O)c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1	587139853	QCYWSOJRRMQVAK-ZDUSSCGKSA-N	349.709	3.654	5	1	EHBF	
C=CC(=O)Nc1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1	587243246	AAEXLVPJGWGJKP-UHFFFAOYSA-N	342.742	3.916	5	1	EHBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(Cl)ccnc3[nH]2)c1	587268744	CUPUZRWJFKDBES-UHFFFAOYSA-N	343.774	3.787	5	1	EHBF	
COc1cc2c(cc1OC)[C@@H](c1ccsc1[N+](=O)[O-])N(C)[C@H](C)C2	962623977	CTQIIOWDXUBCDL-QLJPJBMISA-N	348.424	3.639	5	1	EHBF	
CC[N@@+]1(C)CCC[C@@H](OCC(O)(c2ccccc2)c2ccccc2)C1	299818104	BHFHFYHGVIXFLC-GGAORHGYSA-N	340.487	3.568	5	1	EHBF	
O=C1CCC(c2ccccc2)(c2nc3cccc([N+](=O)[O-])c3[nH]2)CC1	586877897	VOMROUMSCIJFOO-UHFFFAOYSA-N	335.363	3.900	5	1	EHBF	
O=C(c1ccc2c(c1)OC(F)(F)O2)c1coc2cc([N+](=O)[O-])ccc12	587280477	YFUMSSFVMOKTEG-UHFFFAOYSA-N	347.229	3.894	5	1	EHBF	
CCNCCCNc1nccc2c(C)c3[nH]c4ccncc4c3cc12	29544793	RUPSDCVSULNLGQ-UHFFFAOYSA-N	333.439	3.984	5	1	EHBF	
O=C(c1cc2ccccc2oc1=O)c1coc2cc([N+](=O)[O-])ccc12	587279844	DECVASLEMUWBDC-UHFFFAOYSA-N	335.271	3.678	5	1	EHBF	
COc1ncc(F)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1	587175526	FEEYSGMHYJUPMU-UHFFFAOYSA-N	345.337	3.869	5	1	EHBF	
CN(C)CCCN1c2ccccc2CCc2cc([N+](=O)[O-])ccc21	5422883	JYLKYRDTRZHXAJ-UHFFFAOYSA-N	325.412	3.783	5	1	EHBF	
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3cc(F)ccc3c21	13519360	CHOKPCNUYFDUDO-UHFFFAOYSA-N	343.317	3.978	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3cccc(-c4ccccc4)c3O)nc2c1	586896913	LWVMCPMKEKUJGX-UHFFFAOYSA-N	332.319	3.906	5	1	EHBF	
Cc1nc2c(s1)-c1nc(Nc3cccc([N+](=O)[O-])c3)ncc1CC2	6744721	ZLHUAMTYKCRXDR-UHFFFAOYSA-N	339.380	3.659	5	1	EHBF	
CS[C@](C)(CO)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1	28820502	OLSVUJWWMBGSNU-GFCCVEGCSA-N	334.319	3.665	5	1	EHBF	
COc1cc2c3c(c1)O[C@](C)(c1cccc([N+](=O)[O-])c1C)[C@@H](C2)C3=O	587431889	ICNVNJAWFGYVPV-IFXJQAMLSA-N	339.347	3.575	5	1	EHBF	
Cc1oc2c(c1-c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)C(=O)CCC2	586903318	IYHPAZOQZSHVFT-UHFFFAOYSA-N	329.287	3.698	5	1	EHBF	
CC[C@H](C)[C@@H](NC(=O)c1c2ccccc2nc2ccccc12)C(=O)O	5848715	QWXVZEKNGMKVSD-KPZWWZAWSA-N	336.391	3.617	5	1	EHBF	
COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1	13372796	ULUIZAWUYYRGPI-IBGZPJMESA-N	342.459	3.629	5	1	EHBF	biogenic
CC(=O)N[C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	38881506	VTLXSBKCENFQME-MRXNPFEDSA-N	346.770	3.698	5	1	EHBF	
COC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc(F)c(F)c1	587645400	ADRSFPCPZCJDOC-UHFFFAOYSA-N	346.289	3.737	5	1	EHBF	
COc1cc(-c2nc3cccc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1	587261233	ZOZADCNZUKSBQM-UHFFFAOYSA-N	333.731	3.809	5	1	EHBF	
NC(=O)c1cccc2c1[nH]c1c3cc(Br)ccc3oc21	26184590	YJIJPBBSFCIRPW-UHFFFAOYSA-N	329.153	3.929	5	1	EHBF	
Cc1ccc(CCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1N	587250958	UTNOMEPFCFCABR-UHFFFAOYSA-N	330.775	3.800	5	1	EHBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1	587274208	HAMWDRJJFCMUJQ-UHFFFAOYSA-N	345.668	3.544	5	1	EHBF	
CC(C)Oc1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1	587159801	ZJUQOOHKKPXIPW-UHFFFAOYSA-N	345.330	3.976	5	1	EHBF	
O=[N+]([O-])c1cc(Cl)ccc1C[C@@H](O)c1ccc(-n2cccn2)cc1	1857640325	HSIPWIIFEHPZCL-QGZVFWFLSA-N	343.770	3.710	5	1	EHBF	
COc1cccc(N(C)c2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)cc23)c1	103242902	VETUUOAQKBFUTN-UHFFFAOYSA-N	341.323	3.551	5	1	EHBF	
O=Cc1ccc(OCCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1	587566473	NYSQJAMXIONGHA-UHFFFAOYSA-N	345.742	3.559	5	1	EHBF	
O=[N+]([O-])c1ccc(-c2nnc([C@H]3CCc4cc(F)ccc4O3)o2)cc1	1911573419	YZRYUMMODQEVGD-OAHLLOKOSA-N	341.298	3.850	5	1	EHBF	
O=[N+]([O-])c1cccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12	587018164	VESLBWUDDQWUMW-UHFFFAOYSA-N	326.337	3.778	5	1	EHBF	
O=C1C[C@H](c2ccc(O)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1	587511586	QNKRBNCIOAJYIQ-GOSISDBHSA-N	339.347	3.886	5	1	EHBF	
CCOc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1C	587779842	GPGFWKTWQWOIAA-UHFFFAOYSA-N	342.311	3.753	5	1	EHBF	
COCCOc1ccc(-c2nc3cccc(Cl)c3[nH]2)cc1[N+](=O)[O-]	587266518	ZOKLZQNFKRCRHM-UHFFFAOYSA-N	347.758	3.817	5	1	EHBF	
COc1cc(-c2nc3ccc(Cl)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	587261091	SNLQHTRMRMOAQN-UHFFFAOYSA-N	333.731	3.809	5	1	EHBF	
Nc1c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cnc2c(F)cccc12	587176741	QFYAYSTXIIVKII-UHFFFAOYSA-N	341.277	3.547	5	1	EHBF	
CC(=O)Oc1c(-c2ccc(F)cc2F)[nH]c2cccc([N+](=O)[O-])c12	587645880	NHHJKUJGTSXLMG-UHFFFAOYSA-N	332.262	3.947	5	1	EHBF	
COc1cc(OC)cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1	587279256	FNJVEZNOQZMXMR-UHFFFAOYSA-N	327.292	3.589	5	1	EHBF	
COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CN(C)C)cc1	587646912	MXOWEWTTWOHFAN-UHFFFAOYSA-N	325.368	3.813	5	1	EHBF	
COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C2)C3=O	587419111	JMCNUSSIZWMYFR-SJCJKPOMSA-N	345.738	3.746	5	1	EHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)NCc1ccccc1Cl	587644608	HOBBUPKBVMAIEC-UHFFFAOYSA-N	343.770	3.968	5	1	EHBF	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(Cl)nc3[nH]2)c1F	587140306	YHVHIXFPDZQBAC-UHFFFAOYSA-N	327.102	3.979	5	1	EHBF	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1	587233492	QRCWUPPRDAHOJC-QWRGUYRKSA-N	346.387	3.632	5	1	EHBF	
O=c1c2ccccc2oc2cc(OCCCN3CCCC3)cc(O)c12	299827733	QZJGAIZAFNJKAR-UHFFFAOYSA-N	339.391	3.517	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@@H](c1cccc([N+](=O)[O-])c1O)CC2=O	587473567	XTXFJVKMTSOQKT-MRXNPFEDSA-N	343.335	3.665	5	1	EHBF	
Cc1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)ccc1[N+](=O)[O-]	587876155	ZWYLLOWRPZIPHE-UHFFFAOYSA-N	339.282	3.700	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1O)CC2=O	587473475	VVGIRTJIHINEQZ-QGZVFWFLSA-N	343.335	3.665	5	1	EHBF	
CCCc1c(C)c(=O)[nH]c2c(O)c3[nH]c(=O)c(C)c(CCC)c3cc12	138828799	PUHBUTGHBCXRAE-UHFFFAOYSA-N	340.423	3.597	5	1	EHBF	
C[C@H](CCC(=O)O)Cc1nc2cc3nc4ccccc4nc3cc2[nH]1	587963450	WPUCRDAWZZSVKI-LLVKDONJSA-N	334.379	3.703	5	1	EHBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cccc(C(C)(C)C)c2[nH]1	587267928	USEVZHLGXYHTJK-NSHDSACASA-N	327.388	3.883	5	1	EHBF	
COc1ccc([N+](=O)[O-])cc1[C@H](O)c1c(C)[nH]c2cccc(F)c12	587636151	SCDVBTZFKIFVSQ-KRWDZBQOSA-N	330.315	3.614	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)c([N+](=O)[O-])c1)O2	587382464	RQTSRPQTVBRXLI-KRWDZBQOSA-N	330.315	3.505	5	1	EHBF	
COc1ccc(C)cc1C(=O)CCc1nc2cccc([N+](=O)[O-])c2[nH]1	587787667	QELKGPZGVJGREH-UHFFFAOYSA-N	339.351	3.604	5	1	EHBF	
O=[N+]([O-])c1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1F	587016273	IUJUBGGPEFPIMU-GFCCVEGCSA-N	334.332	3.585	5	1	EHBF	
C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1	587070000	OAPUQTJEBWKZBD-SECBINFHSA-N	344.758	3.896	5	1	EHBF	
CC(C)Oc1ccc2c(=O)c3ccc(Cn4ccnc4)cc3oc2c1	1857647530	FCILIVCCYYJYBF-UHFFFAOYSA-N	334.375	3.978	5	1	EHBF	
Cc1ccc2[nH]c3c(cnc4c3cnn4-c3ccccc3)c(=O)c2c1	28975785	LZAUMOHOAIAUSI-UHFFFAOYSA-N	326.359	3.724	5	1	EHBF	
O=C1C[C@@](C[N+](=O)[O-])(c2ccccc2)Oc2c1ccc1c2CCCC1	587511813	RYYHNTYQTMXBHY-HXUWFJFHSA-N	337.375	3.703	5	1	EHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc(N(C)C)cc1	587647304	VCZUBUOYZZEDDN-UHFFFAOYSA-N	338.367	3.703	5	1	EHBF	
C[C@H]1C[C@@H](C)CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C1	28960250	RXWSPCMNUBQQNB-BETUJISGSA-N	343.383	3.922	5	1	EHBF	
COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccc(C)c([N+](=O)[O-])c1	963610297	OWRAONZPEHKFGX-HXPMCKFVSA-N	342.395	3.544	5	1	EHBF	
Cn1c2c3ccccc3nc-2c(NC2CCNCC2)c2ccccc21	169729275	CKCYGASYJFHACJ-UHFFFAOYSA-N	330.435	3.995	5	1	EHBF	
Cc1cc(N)c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc2n1	45191110	KSCLLFMLHCMLAW-RUDMXATFSA-N	348.362	3.686	5	1	EHBF	
COc1c(CC=C(C)C)cc2c(=O)c3c(O)cc(O)cc3oc2c1O	238774959	KRVKWYDGEFEJRI-UHFFFAOYSA-N	342.347	3.580	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccccc1[N+](=O)[O-])O2	587389505	LGPRQFNTEPHBMC-IBGZPJMESA-N	340.379	3.842	5	1	EHBF	
COc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1C	587150022	YEPUPOJQDOFGRE-UHFFFAOYSA-N	331.303	3.506	5	1	EHBF	
O=C(COc1ccc([N+](=O)[O-])cc1)c1coc2cc([N+](=O)[O-])ccc12	587279545	KTTLNCKYNGLFTQ-UHFFFAOYSA-N	342.263	3.511	5	1	EHBF	
C[C@@H](C(=O)OCCN(C)C)c1ccc2c(=O)c3ccccc3ccc2c1	39220558	OQPDBBOSKZRPFN-OAHLLOKOSA-N	349.430	3.562	5	1	EHBF	
COc1ccc([C@H](C[N+](=O)[O-])c2c(C)[nH]c3ccccc23)cc1OC	238339	GZPKZVVUKWYICT-HNNXBMFYSA-N	340.379	3.902	5	3	EHBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(C)(C)C)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587263263	KYUDPBWACOEBOB-FRRDWIJNSA-N	343.427	3.521	5	1	EHBF	
COc1cccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c12	587136983	NIVVTKUPKPBQQJ-UHFFFAOYSA-N	344.346	3.564	5	1	EHBF	
CCn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)c(C)n1	587646123	KMBPBKBBYUEMFF-UHFFFAOYSA-N	348.309	3.716	5	1	EHBF	
O=C(Cc1ccc([N+](=O)[O-])cc1)n1nc2cc1Oc1ccc(F)cc1-2	587874458	BLWUKLUPTHJHNY-UHFFFAOYSA-N	339.282	3.586	5	1	EHBF	
C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1	587960754	BETXUWQIVKGPSX-VXGBXAGGSA-N	330.391	3.817	5	1	EHBF	
C[N+](C)(Cc1ccc(NC(=O)c2ccccc2)cc1)C1CCOCC1	34804396	AFJUSMKOHKKYDO-UHFFFAOYSA-O	339.459	3.694	5	1	EHBF	
O=C1C[C@@H]2c3ccc4ccccc4c3O[C@H]2N1c1cccc([N+](=O)[O-])c1	98085249	XDNJVQXZJWNULB-YLJYHZDGSA-N	346.342	3.987	5	1	EHBF	
COc1cccc(Nc2cc([N+](=O)[O-])c3[nH]c(C(=O)O)cc3c2)c1	103244200	WKISXKAIVZDYHO-UHFFFAOYSA-N	327.296	3.527	5	1	EHBF	
Cc1oc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1[N+](=O)[O-]	587269189	SNHPXAGKUJRVPX-UHFFFAOYSA-N	338.117	3.508	5	1	EHBF	
O=[N+]([O-])c1ccc2c(c1)[C@H](O)CN(CCCCc1ccccc1)CC2	1857758403	MXIVSGODGUSXCI-HXUWFJFHSA-N	340.423	3.509	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1[N+](=O)[O-]	586893878	ZBWLVDITKJOEDJ-BHGXRVDKSA-N	342.355	3.847	5	1	EHBF	
CC(C)[C@@H]1N=C(C2CCCCC2)c2cc([N+](=O)[O-])ccc2NC1=O	66074768	UDIYJWFMQOGHCY-INIZCTEOSA-N	329.400	3.941	5	1	EHBF	
O=c1[nH]ccc2c3[nH]c(-c4cccnc4)nc3c3ccc(F)cc3c12	28955744	HBUYAUJNLFOQGG-UHFFFAOYSA-N	330.322	3.759	5	1	EHBF	
Cc1ccc([N+](=O)[O-])cc1Nc1ncc2ccn(-c3ccccn3)c2n1	40556752	RWHRUSKLXJVBAK-UHFFFAOYSA-N	346.350	3.776	5	1	EHBF	
Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3=O	18207	KQSNWOQGHYUMCK-UHFFFAOYSA-N	339.354	3.850	5	1	EHBF	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Cl)cc(F)c2[nH]1	587159522	QFVNLYFRCFPZKJ-UHFFFAOYSA-N	339.685	3.982	5	1	EHBF	
O=C(c1c(-c2ccncc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F	587645440	VFBJFWHUDDMEHG-UHFFFAOYSA-N	335.241	3.883	5	1	EHBF	
O=C([C@H]1O[C@H]1c1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2	5540262	DWOPRENAUBUKIB-OQXXPCHLSA-N	327.380	3.820	5	1	EHBF	
CO[C@H](C)COC1CCC(c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)CC1	587952918	YAIGXAANFHMTRU-IYXRBSQSSA-N	347.415	3.857	5	1	EHBF	
COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C2)C3=O	587422710	ZGKABAZMPYPUSF-SJCJKPOMSA-N	345.738	3.746	5	1	EHBF	
O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cn1	1857590887	YFDCTQBRWLTRPX-UHFFFAOYSA-N	347.374	3.629	5	1	EHBF	
Cc1c2ccnc(NCCN(C)C)c2cc2c1[nH]c1ccc(O)cc12	6069478	JQPJQXJEVDSYSJ-UHFFFAOYSA-N	334.423	3.857	5	1	EHBF	
Cc1cc2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2cc1[N+](=O)[O-]	587084975	VXCTZCROWSPCLP-UHFFFAOYSA-N	328.759	3.908	5	1	EHBF	
COc1ccccc1NC(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12	587647461	XZZRPMCAOCIKOD-UHFFFAOYSA-N	325.324	3.645	5	1	EHBF	
Cc1ccc(CSCCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1	586971845	YYBWUEKFOBSWNO-UHFFFAOYSA-N	328.397	3.650	5	1	EHBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Cl)cc(Cl)c2[nH]1	587267797	RCUCHAXCHSONOY-SSDOTTSWSA-N	340.170	3.892	5	1	EHBF	
CC(=O)Oc1c(-c2ccc(Cl)cn2)[nH]c2cc([N+](=O)[O-])ccc12	587645618	ZXLGCJMRULCYGP-UHFFFAOYSA-N	331.715	3.717	5	1	EHBF	
CCCCCCN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1	96176101	OKCHGRCDQBEWAE-UHFFFAOYSA-N	342.443	3.845	5	1	EHBF	
O=[N+]([O-])c1cc[nH]c1NCCSCc1nccc2ccccc12	101333635	XNWMRBULYIPDMB-UHFFFAOYSA-N	328.397	3.816	5	1	EHBF	
O=[N+]([O-])c1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1F	587016279	IUJUBGGPEFPIMU-LBPRGKRZSA-N	334.332	3.585	5	1	EHBF	
Cc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n(C(C)(C)C)n1	587279606	NLKAXEHJMCDHDR-UHFFFAOYSA-N	327.340	3.832	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c([N+](=O)[O-])cccc3cn1)O2	587389228	JZLBYTYEFULFBU-SFHVURJKSA-N	349.346	3.740	5	1	EHBF	
COc1cccc2c3c4c5c(cc6c(c5c12)OCO6)CCN4COC3	15148292	AXIVBGLNLSQVQW-UHFFFAOYSA-N	335.359	3.581	5	1	EHBF	biogenic
O=[N+]([O-])c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)s1	653796396	ISSJLQZZQMHOOZ-UHFFFAOYSA-N	337.832	3.632	5	1	EHBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1	587275181	YDQVHYANVDLZFD-UHFFFAOYSA-N	345.668	3.544	5	1	EHBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)n1nc2cc1Oc1ccc(F)cc1-2	587874572	FKFLKMZQRKWLMK-UHFFFAOYSA-N	340.270	3.783	5	1	EHBF	
Cc1ncc([N+](=O)[O-])n1/C(=C/c1ccc(Cl)cc1Cl)[C@@H](C)O	1857766889	LJFRUBOZPHYNMJ-BWJGRMQRSA-N	342.182	3.785	5	1	EHBF	
Cc1nc(Br)sc1-c1nc2cccc([N+](=O)[O-])c2[nH]1	587011535	POBFNEBRGYMUHM-UHFFFAOYSA-N	339.174	3.666	5	1	EHBF	
O=[N+]([O-])c1cccnc1NCc1nc2cc(Cl)c(Cl)cc2[nH]1	587269606	VOFVFIWLQVQYRR-UHFFFAOYSA-N	338.154	3.785	5	1	EHBF	
CC(=O)Nc1ccccc1C=Cc1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-]	2356817652	AAMMFIQKXPEPBE-UHFFFAOYSA-N	341.323	3.940	5	1	EHBF	
O=[N+]([O-])c1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1F	587781144	QOBMRBQUSPEGKS-QPJJXVBHSA-N	327.315	3.840	5	1	EHBF	
O=[N+]([O-])c1cccc(CCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1	587269510	FCPPVQOXEAVYHR-UHFFFAOYSA-N	339.248	3.813	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1F	587081394	UPIWFGMGANWTJS-AWEZNQCLSA-N	333.706	3.940	5	1	EHBF	
O=[N+]([O-])c1cc(Cl)c(NS(=O)(=O)c2ccccc2)c(Cl)c1	5604160	LGLQWFNMGMIHSZ-UHFFFAOYSA-N	347.179	3.702	5	1	EHBF	
O=C(O)C(=O)CC(=O)c1ccc2c(ccc3ccc(Cl)cc32)c1	96937905	QLJNCCACSZURFX-UHFFFAOYSA-N	326.735	3.873	5	1	EHBF	
O[C@@H]1[C@@H]2O[C@H]2c2ccc3cc4c(ccc5ccccc54)cc3c2[C@H]1O	254043363	LBOOERJKINPNNR-MLNNCEHLSA-N	328.367	3.994	5	1	EHBF	
CCOC(=O)c1c(Cc2ccccc2[N+](=O)[O-])[nH]c2cc(F)ccc12	587636279	URCZAAOOYQNDIT-UHFFFAOYSA-N	342.326	3.983	5	1	EHBF	
CC[C@@H](C)[C@H](NC(=O)c1c2ccccc2nc2ccccc12)C(=O)O	5848695	QWXVZEKNGMKVSD-XIKOKIGWSA-N	336.391	3.617	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)O2	587375788	OYHXMGMDGYJWEC-OAHLLOKOSA-N	332.743	3.845	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])c(O)c1)CC2=O	587468163	BNFKKOPHGXIMCY-KRWDZBQOSA-N	343.335	3.665	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)ccc([N+](=O)[O-])c1Cl)O2	587377588	XDOQNPAKZDZORK-CYBMUJFWSA-N	348.742	3.551	5	1	EHBF	
O=c1c([C@@H](c2ccc([N+](=O)[O-])cc2)n2ccnc2)coc2ccccc12	13675766	GQUCRMYPRQVAIK-GOSISDBHSA-N	347.330	3.535	5	1	EHBF	
C[C@@H](Sc1ncccn1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586960903	DDMNQRGKJCCLIY-SSDOTTSWSA-N	335.776	3.768	5	1	EHBF	
O=C(c1ccc(-n2cccn2)cc1)c1coc2cc([N+](=O)[O-])ccc12	587278960	CAOWBCQUHUXFEV-UHFFFAOYSA-N	333.303	3.758	5	1	EHBF	
Cc1c(-c2nc3c(Br)ccnc3[nH]2)cccc1[N+](=O)[O-]	587260867	JTZVBQFCOGYBRT-UHFFFAOYSA-N	333.145	3.604	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])c(C)cc1F)O2	587383419	ZZWKDOMEVKSKQM-INIZCTEOSA-N	330.315	3.639	5	1	EHBF	
CN(C/C=C/c1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCCO2	1857536389	GYEGXPRVBKDHEB-HWKANZROSA-N	340.379	3.511	5	1	EHBF	
O=C(O)c1cccc(NC(=O)c2cccc3c([N+](=O)[O-])cccc23)c1	621476543	QZMBQBUVZJLERK-UHFFFAOYSA-N	336.303	3.699	5	1	EHBF	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Cl)cnc3[nH]2)c1F	587139604	LSPANKFWQSBEII-UHFFFAOYSA-N	327.102	3.979	5	1	EHBF	
CCc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-]	587390074	PHDURKNMGRKSIA-QGZVFWFLSA-N	326.352	3.754	5	1	EHBF	
Cn1ccc2ccc3c4[nH]c5ccccc5c4c4c(c3c21)C(=O)NC4=O	3143	SURAWNCCJQUSIR-UHFFFAOYSA-N	339.354	3.850	5	1	EHBF	
COC(=O)c1c(Cc2ccc(F)c(F)c2)[nH]c2cccc([N+](=O)[O-])c12	587645980	PMAPTPVWNPMBEA-UHFFFAOYSA-N	346.289	3.732	5	1	EHBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Cl)cc(F)c2[nH]1	587268112	LKCMHLMNXZOYOU-UHFFFAOYSA-N	337.742	3.632	5	1	EHBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(C)(C)C)c3[nH]2)[C@H]1C[N+](=O)[O-]	587263262	KYUDPBWACOEBOB-AGIUHOORSA-N	343.427	3.521	5	1	EHBF	
CCc1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1	587956953	NJYSOFJRUBSIBW-UHFFFAOYSA-N	341.342	3.988	5	1	EHBF	
Nc1cc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2cc1N	587266335	YPKIOSQBQNHMTH-UHFFFAOYSA-N	335.323	3.563	5	1	EHBF	
N=c1[nH]c(-c2cccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)cs1	587021190	IXPBBBFYFBEIAR-UHFFFAOYSA-N	337.364	3.674	5	1	EHBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1[S@](=O)Cc1ccccc1	621477597	DHHMIGFXKJOTHE-JOCHJYFZSA-N	329.299	3.921	5	1	EHBF	
Cc1nc(C2CC2)sc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587013067	WSPBJIILUYUYSX-UHFFFAOYSA-N	345.340	3.689	5	1	EHBF	
O=[N+]([O-])c1cnc(-c2ccccc2)nc1Oc1cccc2ocnc12	1857759566	GTMGZNSLPYDNLS-UHFFFAOYSA-N	334.291	3.985	5	1	EHBF	
O=C(c1cccnc1)n1c(-c2ccccc2[N+](=O)[O-])nc2ccccc21	40897484	VOXZOAZVHLRUTK-UHFFFAOYSA-N	344.330	3.695	5	1	EHBF	
Cc1nc(-c2ccc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)cc2)no1	587279910	TVSABURUVVPDDE-UHFFFAOYSA-N	349.302	3.930	5	1	EHBF	
O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4ncc[nH]c-4n3)cc2)cc1	587271871	KEBWCQLUDYLJBM-UHFFFAOYSA-N	333.307	3.672	5	1	EHBF	
CCCOC(=O)c1cccc2nc3cc(N)c(OCCC)cc3nc12	103223437	BMAFEWCDFLEHQY-UHFFFAOYSA-N	339.395	3.721	5	1	EHBF	
CC1(C)C=Cc2c(ccc3c(=O)c4cccc(CC(=O)O)c4oc23)O1	27554519	HCCZIOIGYVKMAZ-UHFFFAOYSA-N	336.343	3.758	5	1	EHBF	
O=[N+]([O-])c1cccc(-c2cc([C@H]3C[C@H]4CC[C@H]3N4)cnc2Cl)c1	328577332	PIJBUFHMIMFCEN-XNRPHZJLSA-N	329.787	3.918	5	1	EHBF	in-vitro
O=C([C@H]1O[C@@H]1c1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2	5540255	DWOPRENAUBUKIB-BJKRJEDCSA-N	327.380	3.820	5	1	EHBF	
COc1cc(-c2nnc(Nc3ccc([N+](=O)[O-])cc3)s2)ccc1O	71296513	XTKVLKWRQGBCKZ-UHFFFAOYSA-N	344.352	3.571	5	1	EHBF	
Nc1ccccc1-c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1	587249091	GQXKAQQAYCFTME-UHFFFAOYSA-N	331.335	3.782	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccccc1[N+](=O)[O-])O2	587389506	LGPRQFNTEPHBMC-LJQANCHMSA-N	340.379	3.842	5	1	EHBF	
Cc1cncc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12	587109883	PQXXRCHFYLXDRP-UHFFFAOYSA-N	336.273	3.784	5	1	EHBF	
O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\c1ccc2ncccc2c1	102593751	ZIKRNYNKASSPLR-CAPFRKAQSA-N	333.303	3.827	5	1	EHBF	
CC(C)(O)[C@H]1Cc2c(c3ccccc3c3nc4c(nc23)CCCC4)O1	40810639	PVUIZXPICIJQME-QGZVFWFLSA-N	334.419	3.736	5	1	EHBF	
O=c1c2cc3ccccc3nc2ncn1CCc1ccc(Cl)cc1	95600138	UMERXSQDAPUFCS-UHFFFAOYSA-N	335.794	3.841	5	3	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnc3c([N+](=O)[O-])cccc13)O2	587388442	BSWYBUZLMVYQBN-KRWDZBQOSA-N	349.346	3.740	5	1	EHBF	
CC[C@H]1C[N+]2(C)[C@H]3C[C@@H]1[C@H](COC)[C@@H]2Cc1c3[nH]c2ccccc12	238741843	OMYANIJGKRZYET-FZFXGXIWSA-N	325.476	3.903	5	1	EHBF	
C[C@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1	587277321	SRNCYMPBIRYTHB-ZCFIWIBFSA-N	326.143	3.584	5	1	EHBF	
COC(=O)c1c(Cc2ccccc2F)[nH]c2cccc([N+](=O)[O-])c12	587645829	LBCZIQXRZXKWDU-UHFFFAOYSA-N	328.299	3.593	5	1	EHBF	
COCCOc1ccc(-c2nc3cc(C)cc(F)c3[nH]2)cc1[N+](=O)[O-]	587266519	ZOOVEXGMRPHNMJ-UHFFFAOYSA-N	345.330	3.611	5	1	EHBF	
O=C(CN1C=C[C](Cc2ccccc2)C=C1)c1cccc([N+](=O)[O-])c1	2356819392	QZXZMCHLRAWRDH-UHFFFAOYSA-N	333.367	3.938	5	1	EHBF	
COc1cc2c(=O)c3c(O)cc(O)cc3oc2c(CC=C(C)C)c1O	14763074	RIYUJKVCLDKPQT-UHFFFAOYSA-N	342.347	3.580	5	1	EHBF	biogenic
O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cccc(O)c4[nH]3)c2)c1	587270410	OASJFSIFGFLFMI-UHFFFAOYSA-N	332.319	3.906	5	1	EHBF	
CC(=O)Oc1c(-c2ccc(Cl)cn2)[nH]c2cccc([N+](=O)[O-])c12	587644769	BUUZUVXOIOKGDE-UHFFFAOYSA-N	331.715	3.717	5	1	EHBF	
Cc1cnc(Cl)c2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc12	587159597	UDBUYXVZWXMVKC-UHFFFAOYSA-N	336.710	3.546	5	1	EHBF	
Cn1nc(-c2ccnc(Nc3ccc([N+](=O)[O-])cc3)n2)c2ccccc21	84731948	GJFMZDBDIJVCBK-UHFFFAOYSA-N	346.350	3.682	5	1	EHBF	
CSCC(C)(C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586969735	WXIBGNWEEHZPMN-UHFFFAOYSA-N	344.234	3.874	5	1	EHBF	
COC(=O)c1c(Cc2ccccc2F)[nH]c2cc([N+](=O)[O-])ccc12	587646268	ZGLYPQMLVCYXLM-UHFFFAOYSA-N	328.299	3.593	5	1	EHBF	
O=C(c1ccc(F)cc1[N+](=O)[O-])c1coc2cc([N+](=O)[O-])ccc12	587280261	QHNDCRWZPHLDSZ-UHFFFAOYSA-N	330.227	3.619	5	1	EHBF	
O=[N+]([O-])c1cc(F)cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1	587160400	QTEYUOQSZIEZKG-UHFFFAOYSA-N	326.209	3.691	5	1	EHBF	
O[C@H]1c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@H]2O[C@@H]2[C@@H]1O	102842456	LBOOERJKINPNNR-DXBBTUNJSA-N	328.367	3.994	5	1	EHBF	
O=[N+]([O-])c1ccc(OCc2nc3cnc4ccccc4c3[nH]2)cc1F	587148131	BGRTZIIJUBLUCX-UHFFFAOYSA-N	338.298	3.737	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cccc([N+](=O)[O-])c13)O2	587389050	ISEZUNRCJYNTQG-INIZCTEOSA-N	337.335	3.673	5	1	EHBF	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(=N)[nH]cc2[nH]1	586972684	KNWRGWMCRVRCKC-UHFFFAOYSA-N	343.412	3.694	5	1	EHBF	
Cc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Cl	587269282	AAXYGMNZTNHMED-ZDUSSCGKSA-N	330.775	3.675	5	1	EHBF	
COc1cc(O)c2c(=O)c3cc4c(c(O)c3oc2c1)OC(C)(C)C=C4	15217368	FDTSMQAHJQWMRR-UHFFFAOYSA-N	340.331	3.550	5	1	EHBF	biogenic
O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]3C[N+](=O)[O-]	587105277	WLDLDJSONGZASF-LLVKDONJSA-N	330.343	3.753	5	1	EHBF	
O=C(NCc1ccccc1)c1ccc2c(=O)c3ccccc3[nH]c2c1	14970288	YUICSGTVFUPFFC-UHFFFAOYSA-N	328.371	3.611	5	1	EHBF	in-vivo
NCCCCNCCNCCCc1c2ccccc2cc2ccccc12	28460333	CHJIUZBIQIQVOR-UHFFFAOYSA-N	349.522	3.844	5	1	EHBF	
O=[N+]([O-])c1ccccc1Oc1ccc(OCCN2CCCC2)cc1	71319002	RGUGRLMTFNHYLE-UHFFFAOYSA-N	328.368	3.862	5	1	EHBF	
O=C1C[C@@H](c2cc(O)cc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1	587510944	CJWMDXLDOIIZNO-SFHVURJKSA-N	339.347	3.886	5	1	EHBF	
Cc1c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cccc1[N+](=O)[O-]	587261228	ZLYJVYBYUXFXFM-UHFFFAOYSA-N	337.314	3.771	5	1	EHBF	
N[C@H](N=O)c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1	587139852	QCYWSOJRRMQVAK-CYBMUJFWSA-N	349.709	3.654	5	1	EHBF	
O=[N+]([O-])c1ccc(Cl)c([C@@H]2NCCc3ccc(O)cc32)c1Cl	963329691	QZGNDQHHIRNTBK-OAHLLOKOSA-N	339.178	3.842	5	1	EHBF	
O=C(CSCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1	1857752741	IPOFIJOROSIJMF-UHFFFAOYSA-N	327.365	3.587	5	1	EHBF	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1F	587140272	WONKOKPIXGCYTM-UHFFFAOYSA-N	331.694	3.807	5	1	EHBF	
CCOc1ccc(OCC)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1	587778446	MYHJVENKOBZXFB-UHFFFAOYSA-N	327.340	3.936	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@@](CC)(CC[C@H](C)[N+](=O)[O-])CC2=O	587473671	ZEBCDIWLYHXFAS-SGTLLEGYSA-N	335.400	3.904	5	1	EHBF	
Cc1c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)oc2c1[C@@H](O)CCC2	586905678	YLVQORXDZXTZPU-LBPRGKRZSA-N	331.303	3.548	5	1	EHBF	
O=C(O)c1cccc(Nc2ccc([N+](=O)[O-])cc2OC(F)(F)F)c1	84709965	HFSWRPGDODJFLR-UHFFFAOYSA-N	342.229	3.935	5	1	EHBF	
COC(=O)C1=C(c2ccccc2Cl)Oc2ccc([N+](=O)[O-])cc2C1	96910444	GGVCOOFOWJXFFJ-UHFFFAOYSA-N	345.738	3.767	5	1	EHBF	
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])cc1	35065240	KDMUDNVPBXNDAH-YVMONPNESA-N	345.351	3.800	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c([N+](=O)[O-])c1)CC2=O	587468223	CFEMFLOABNGRGJ-QGZVFWFLSA-N	343.335	3.665	5	1	EHBF	
O=[N+]([O-])c1nccn1CCCNc1nc2ccc(Cl)cc2s1	96938752	VAIFPWNSXISTJO-UHFFFAOYSA-N	337.792	3.557	5	1	EHBF	
O=C(O)c1cccc(N2Cc3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1	621476442	YISHJTHAGCJORP-UHFFFAOYSA-N	348.314	3.607	5	1	EHBF	
Cc1c(Cl)ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c12	587271063	YWSQNGAPRLBHSG-ZDUSSCGKSA-N	330.775	3.675	5	1	EHBF	
Cc1cccc([N+](=O)[O-])c1C(=O)c1coc2cc([N+](=O)[O-])ccc12	587279010	DASHVQKCGJMQPS-UHFFFAOYSA-N	326.264	3.789	5	1	EHBF	
CO[C@@H](C)COC1CCC(c2nc3cccc([N+](=O)[O-])c3[nH]2)CC1	587952614	UQWNNGPFSCTCDF-HIFPTAJRSA-N	333.388	3.549	5	1	EHBF	
Cc1cc2[nH]c([C@@H](c3ccc(F)cc3)N(C)C)nc2cc1[N+](=O)[O-]	587163193	IDWYPLHSQWNQAC-MRXNPFEDSA-N	328.347	3.570	5	1	EHBF	
Nc1c(F)c(F)cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1F	587137049	QKDPTEFEKRAKMI-UHFFFAOYSA-N	342.664	3.791	5	1	EHBF	
O=C(c1cnn(Cc2ccccc2)c1)c1coc2cc([N+](=O)[O-])ccc12	587278958	BYSVMLHRYNNYGV-UHFFFAOYSA-N	347.330	3.817	5	1	EHBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc3c(c2[nH]1)CCCC3	587268466	ZCJMVJPZYGXIDZ-UHFFFAOYSA-N	339.399	3.718	5	1	EHBF	
C[N+](C)(C)CCCN1C(=O)/C(=C/c2ccccc2)Oc2ccccc21	169324468	MZIMGWDOBPXBJD-SILNSSARSA-N	337.443	3.549	5	1	EHBF	
Cc1c(F)cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1F	587132366	CVHMNUZGRJFICE-UHFFFAOYSA-N	334.238	3.633	5	1	EHBF	
COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccc(C)c([N+](=O)[O-])c1	963610293	OWRAONZPEHKFGX-BLVKFPJESA-N	342.395	3.544	5	1	EHBF	
[O]C(=C1C=CN(CC(=O)c2ccc([N+](=O)[O-])cc2)C=C1)c1ccccc1	2356861843	JJYWFDLTLFCPJX-UHFFFAOYSA-N	347.350	3.962	5	1	EHBF	
Nc1nnc(SCc2cc(=O)oc3c2ccc2ccccc23)s1	96910552	SOYQDKXTLJPVEH-UHFFFAOYSA-N	341.417	3.672	5	1	EHBF	
O=[N+]([O-])c1cccc(Nc2nc(-c3cccnc3)nc3ncccc23)c1	1772616772	KMPQZLQQZDINQM-UHFFFAOYSA-N	344.334	3.739	5	1	EHBF	
Cn1c2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3nc-2cc2cc(F)ccc21	138269922	CUZZBEJMFXAWRO-UHFFFAOYSA-N	340.270	3.787	5	1	EHBF	
CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-]	587391926	ZXQQYSPIJUAFHW-QGZVFWFLSA-N	342.351	3.591	5	1	EHBF	
O=C(O)c1ccc2c(=O)c3cccc(Br)c3ccc2c1	39247101	GJPXGFKSVUVJRG-UHFFFAOYSA-N	329.149	3.814	5	1	EHBF	
c1ccc(-c2cc3nc(N4CCOCC4)c4ccccc4c3nn2)cc1	28760109	JRPLEARVGIUFIY-UHFFFAOYSA-N	342.402	3.682	5	1	EHBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cccc(F)c3[nH]2)c1	587270483	ZOTSELZKXXHEDL-UHFFFAOYSA-N	326.331	3.877	5	1	EHBF	
COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CN(C)C)cc1F	587646069	SMQSUTHYVKEGJD-UHFFFAOYSA-N	343.358	3.952	5	1	EHBF	
O=Cc1cc(Br)cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1	586983062	VJBQNMYUZJXQAX-UHFFFAOYSA-N	346.140	3.713	5	1	EHBF	
C[C@@H](O)[C@@](C)(CO)NCc1ccc2ccc3cccc4ccc1c2c34	26467984	XUHAATDMBCODLR-JLCFBVMHSA-N	333.431	3.805	5	1	EHBF	
O=c1nc2oc3ccc4ccccc4c3cc-2c(=O)n1-c1ccccc1	45357732	KIPCUWCLMUBIQX-UHFFFAOYSA-N	340.338	3.597	5	1	EHBF	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(Cl)ccnc3[nH]2)c1F	587139973	UTWDKUXOEPCZLO-UHFFFAOYSA-N	327.102	3.979	5	1	EHBF	
COC(=O)c1cc(Cl)c2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc2c1	587160235	NJBWMQGQJTUILY-UHFFFAOYSA-N	349.705	3.717	5	1	EHBF	
O=C(O)Cc1c(-c2cc(F)cc(F)c2)[nH]c2cccc([N+](=O)[O-])c12	587646148	VMGAHSVBJPRUER-UHFFFAOYSA-N	332.262	3.648	5	1	EHBF	
NC(=O)c1ccc2c(c1)c1ccccc1c(=O)n2CC1CCCCC1	1772570325	CPOJHBDZGYOWNY-UHFFFAOYSA-N	334.419	3.834	5	1	EHBF	
O=S(=O)(Nc1ccc2nc(O)c3ccccc3c2c1)C1CCCC1	1857577996	QHSQPGTXVVLAAW-UHFFFAOYSA-N	342.420	3.778	5	1	EHBF	
COc1ccc2c(c1)c(NCCCO)c1c3ccccc3nc-1n2C	103001459	XKEPDLFQEYDEKT-UHFFFAOYSA-N	335.407	3.634	5	1	EHBF	
O=[N+]([O-])c1cccc(-c2nnc(/C=C/c3ccc4c(c3)OCO4)o2)c1	96284417	XEWDTMDPYOQZCZ-FNORWQNLSA-N	337.291	3.544	5	1	EHBF	
Cc1nn(Cc2ccccc2-c2nc3ccccc3[nH]2)c(C)c1[N+](=O)[O-]	587267688	PAUJXNSAJQJTIF-UHFFFAOYSA-N	347.378	4.000	5	1	EHBF	
COc1cccc(COc2ccc3nc4ccc(=O)cc-4oc3c2)c1	199625739	JMTYUOPPVLMYHB-UHFFFAOYSA-N	333.343	3.880	5	1	EHBF	
Cc1cc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2cc1[N+](=O)[O-]	587016793	NTYZZHLAXHODFC-ZDUSSCGKSA-N	330.369	3.755	5	1	EHBF	
O=[N+]([O-])c1cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1F	587174011	BSWVHXZHLPWTKF-UHFFFAOYSA-N	328.278	3.821	5	1	EHBF	
COc1ccc(C(=O)CCc2cccc([N+](C)(C)C)c2)cc1OC	13586892	OJUCINSDRBBZBC-UHFFFAOYSA-N	328.432	3.716	5	1	EHBF	
O=[N+]([O-])c1c[nH]c(-c2nnc(Cc3ccc(F)c4ccccc34)o2)c1	103287087	JCAFOHMAQPVWLD-UHFFFAOYSA-N	338.298	3.856	5	1	EHBF	
NCCCNc1nc2ccc([N+](=O)[O-])cc2c2[nH]c3ccccc3c12	169309463	CFGZWQGLNCXRCB-UHFFFAOYSA-N	335.367	3.538	5	1	EHBF	
CC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc([N+](=O)[O-])ccc12	587647862	SANKFWYOMGJXAV-UHFFFAOYSA-N	325.280	3.854	5	1	EHBF	
COc1cc([CH-]N=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	169690688	AUPSBKIUCPIAEN-UHFFFAOYSA-N	332.248	3.580	5	1	EHBF	
CC(C)=CCc1ccc(O)c2c(=O)c3c(O)cc(C)c(O)c3oc12	1911585941	DEIFZRLGFIYTQK-UHFFFAOYSA-N	326.348	3.880	5	1	EHBF	
COC(=O)c1c(Cc2cccc([N+](=O)[O-])c2)[nH]c2cc(F)ccc12	587635679	LHUOUFVWLNJALD-UHFFFAOYSA-N	328.299	3.593	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@H](Cc1ccc([N+](=O)[O-])cc1)CC2=O	587468788	BBAUIGSGBFVLBY-CQSZACIVSA-N	341.363	3.829	5	1	EHBF	
COc1ccc(C[C@@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1OC	587925094	AGUPOKLNZXBXGZ-LLVKDONJSA-N	341.367	3.835	5	1	EHBF	
Cc1cc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1Br	586976395	JDOCQCNSFIFCAO-UHFFFAOYSA-N	347.172	3.528	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(CCCCCCCCCCCO)nc2c1	586894884	XUNVVSBKDUIUPR-UHFFFAOYSA-N	334.420	3.912	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C)c([N+](=O)[O-])c1)O2	587389151	JHNRVKAEBAKUSW-GOSISDBHSA-N	326.352	3.674	5	1	EHBF	
CCNCCc1cc(O)c(OC)c2c1ccc1cc(O)c(OC)cc12	38883955	ZXHXNCWTOJTRSO-UHFFFAOYSA-N	341.407	3.573	5	1	EHBF	
C[C@](O)(c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F	587645321	PQRZCCXKYRAFQF-JTQLQIEISA-N	342.195	3.865	5	1	EHBF	
O=C(O)CCc1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12	587645791	KFYSGXHPGPKPIM-UHFFFAOYSA-N	328.299	3.899	5	1	EHBF	
COc1ccc2c(=O)c3nccc4ccc(OC)c(oc2c1OC)c43	14691008	PFNGLUWKELTIDX-UHFFFAOYSA-N	337.331	3.520	5	1	EHBF	biogenic
O=C1C[C@@H]2c3ccc4ccccc4c3O[C@@H]2N1c1cccc([N+](=O)[O-])c1	98085250	XDNJVQXZJWNULB-XLIONFOSSA-N	346.342	3.987	5	1	EHBF	
N=C1Sc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2C2=NCCCN12	95578466	NFVNGNCVMGCQHL-UHFFFAOYSA-N	338.392	3.755	5	1	EHBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(O)cc2[nH]1	587109310	HJGXDUPRSUHBHR-UHFFFAOYSA-N	337.257	3.786	5	1	EHBF	
O=C(c1c(-c2ccncc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F	587644925	FSQZOYYZAHLBJA-UHFFFAOYSA-N	335.241	3.883	5	1	EHBF	
O=[N+]([O-])c1c[nH]c(-c2nnc(-c3cc4cc(Cl)ccc4[nH]3)o2)c1	103281383	UKJXMWKWGQKAGY-UHFFFAOYSA-N	329.703	3.775	5	1	EHBF	
COc1cc2c(cc1OC)[C@H](c1ccsc1[N+](=O)[O-])N(C)[C@@H](C)C2	962623975	CTQIIOWDXUBCDL-QFYYESIMSA-N	348.424	3.639	5	1	EHBF	
O=[N+]([O-])c1cccc(N=c2nc(-c3ccncc3)[nH]c3ccccc23)c1	1772576610	JFVAWMPYOWGSIV-UHFFFAOYSA-N	343.346	3.766	5	1	EHBF	
O=C(O)Cc1c(-c2cc(F)ccc2F)[nH]c2cccc([N+](=O)[O-])c12	587645836	LPNKNHICAOOCAY-UHFFFAOYSA-N	332.262	3.648	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1[N+](=O)[O-]	587162048	GWBUUBBLOKZIBI-WDEREUQCSA-N	342.286	3.790	5	1	EHBF	
CSCC(C)(C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586969472	SNZXJYWVJQAOQY-UHFFFAOYSA-N	344.234	3.874	5	1	EHBF	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1	587233542	QRCWUPPRDAHOJC-WDEREUQCSA-N	346.387	3.632	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3c([N+](=O)[O-])cccc13)O2	587391322	VEBZZGPYFAWQHP-MRXNPFEDSA-N	337.335	3.673	5	1	EHBF	
COc1ccc2c(c(OC)nc3c4cc5c(cc4ccc23)OCO5)c1O	238730714	YZDGYNDQPLGRJN-UHFFFAOYSA-N	349.342	3.993	5	1	EHBF	
Nc1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(C(F)(F)F)c1	587095678	QATXZHJTPUNJNW-UHFFFAOYSA-N	340.236	3.878	5	1	EHBF	
COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2Cn2ccnc2)cc1	587647041	DJEVPMLBWUXPKP-UHFFFAOYSA-N	348.362	3.997	5	1	EHBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)cc(F)c2[nH]1	587269303	AIZYVAABPNJVHI-LBPRGKRZSA-N	334.738	3.506	5	1	EHBF	
O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(CCO)ccc3[nH]2)o1	587265756	SNFMQERUPBOGKX-UHFFFAOYSA-N	349.346	3.933	5	1	EHBF	
O=C(c1ccccn1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12	587644852	DQXAPTJQUIRLCT-UHFFFAOYSA-N	335.241	3.721	5	1	EHBF	
Cc1cc2nc(C(=O)Nc3ccccc3Cl)[nH]c2cc1[N+](=O)[O-]	587060603	PUOQRVPYJXTPLM-UHFFFAOYSA-N	330.731	3.685	5	1	EHBF	
O=C(CN1[CH]C=CC(Cc2ccccc2)=C1)c1ccc([N+](=O)[O-])cc1	2356816073	CKJXIDKONKVCSD-UHFFFAOYSA-N	333.367	3.938	5	1	EHBF	
Cc1cc2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c2cc1[N+](=O)[O-]	587068723	CBYRVMVNUPJYGU-UHFFFAOYSA-N	329.743	3.858	5	1	EHBF	
COc1ccc2c(ccc3c(CCN(C)O)cc4c(c32)OCO4)c1	473243789	AQPSYOMMINHHKK-UHFFFAOYSA-N	325.364	3.594	5	1	EHBF	
C[C@@H](O)c1ncc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)s1	587022772	XXFFOWSQQVASPC-SECBINFHSA-N	347.403	3.836	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc([N+](=O)[O-])cc1C)O2	587388894	HOZXKAHJNTUSAX-GOSISDBHSA-N	326.352	3.674	5	1	EHBF	
CCSCCSc1nnc(-c2ccc([N+](=O)[O-])cc2)s1	29044082	IPMIYNPFCANGBW-UHFFFAOYSA-N	327.456	3.959	5	1	EHBF	
CC(C)Cc1ccc([C@H](C)C(=O)Nc2ncc([N+](=O)[O-])s2)cc1	1772631532	BQVLYKYMRYSWSX-NSHDSACASA-N	333.413	3.992	5	1	EHBF	
COc1cccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)cc23)c1	103244217	QEQRIHDIOPWGQK-UHFFFAOYSA-N	327.296	3.527	5	1	EHBF	
O=[N+]([O-])c1ccc(-c2nnc(CCc3c[nH]c4ccccc34)o2)cc1	96917132	RQVIPBCAEOXEDF-UHFFFAOYSA-N	334.335	3.911	5	1	EHBF	
CN(C)CCCOc1nc2ccccc2c2nc3ccccc3nc12	1772571114	AXPXYVKHVZFRON-UHFFFAOYSA-N	332.407	3.662	5	1	EHBF	
CN1CCN(C(=O)/C=C/c2c3ccccc3cc3ccccc23)CC1	103228252	YSKZNRPFSIMYQB-ZHACJKMWSA-N	330.431	3.780	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C)c([N+](=O)[O-])c1)O2	587389153	JHNRVKAEBAKUSW-SFHVURJKSA-N	326.352	3.674	5	1	EHBF	
COc1cccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12	587268766	DRBPOFRKYBRIKN-UHFFFAOYSA-N	338.367	3.747	5	1	EHBF	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3cncc(Cl)c3[nH]2)c1F	587140305	YHEJSCYCBWBIKI-UHFFFAOYSA-N	327.102	3.979	5	1	EHBF	
C[C@H](CCc1nc2c3cccnc3c3ncccc3c2[nH]1)CC(=O)O	587962575	GFNFUWOZNOLMHI-LLVKDONJSA-N	334.379	3.703	5	1	EHBF	
COc1ccc(OC)c(CC(=O)c2coc3cc([N+](=O)[O-])ccc23)c1	587279298	FVFIKDSLIAOXFA-UHFFFAOYSA-N	341.319	3.784	5	1	EHBF	
CC(C)(C)c1cccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c12	587268609	GVYWKTPFQFHMFU-UHFFFAOYSA-N	325.372	3.776	5	1	EHBF	
COc1ccc(C)cc1C(=O)CCc1nc2ccc([N+](=O)[O-])cc2[nH]1	587787184	KZVXJEXBUHBPNW-UHFFFAOYSA-N	339.351	3.604	5	1	EHBF	
Nc1nc2cc(Cl)c(Cl)cc2n1Cc1cccc([N+](=O)[O-])c1	5933135	SIMFLNBYTDCYKF-UHFFFAOYSA-N	337.166	3.882	5	1	EHBF	
CC(CO)(CO)NCc1ccc2c(ccc3cc4ccccc4cc32)c1	5761712	ZYFFDWUAQZOMMN-UHFFFAOYSA-N	345.442	3.979	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc([N+](=O)[O-])c1)(C1CC1)O2	587390532	RATXOSQGNRWQFR-IBGZPJMESA-N	338.363	3.756	5	1	EHBF	
O=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ncncc12	66112215	ALJWJLNJTKZLHY-UHFFFAOYSA-N	334.310	3.759	5	1	EHBF	
CCN(CC)CCn1nc2c3ccccc3n(C)c3c(N)ccc1c23	27102333	JUYBJTAJYPWRKB-UHFFFAOYSA-N	335.455	3.605	5	1	EHBF	
COCCNc1ccc(-c2nc3c(C)ccc(C)c3[nH]2)cc1[N+](=O)[O-]	587261998	LLNGIJCIFUCPKB-UHFFFAOYSA-N	340.383	3.813	5	1	EHBF	
CN(C)CCCCCNC(=O)c1cccc2cc3ccccc3nc12	5957560	VGDOQPDIQDNTDF-UHFFFAOYSA-N	335.451	3.850	5	1	EHBF	
COc1cc2nccc(Oc3cccc([N+](=O)[O-])c3)c2cc1OC	13859450	OMYGYNKHKZLDSH-UHFFFAOYSA-N	326.308	3.953	5	1	EHBF	in-vivo
CC[n+]1cc2c(O)c(OC)ccc2c2ccc3cc4c(cc3c21)OCO4	101501416	TXDLZJFVDWGURX-UHFFFAOYSA-O	348.378	3.897	5	1	EHBF	
COc1ccc2c(=O)c3c(O)c(CC=C(C)C)c(O)cc3oc2c1O	14763043	QNGWHIXADYIMET-UHFFFAOYSA-N	342.347	3.580	5	1	EHBF	biogenic
O=C(c1cccnc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12	587645365	SICLZDOEFWUVAC-UHFFFAOYSA-N	335.241	3.721	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2c1	587084928	JIOAQVSZCTVGEX-UHFFFAOYSA-N	325.715	3.735	5	1	EHBF	
Cc1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1	587136686	IOBMXDWGXPXVMS-UHFFFAOYSA-N	328.347	3.863	5	1	EHBF	
COC(=O)c1cccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12	587138898	AVFHKFTXBCDXMT-UHFFFAOYSA-N	349.705	3.717	5	1	EHBF	
Cc1cc(O)cc2oc3c(Cl)c(O)c(Cl)c(O)c3c(=O)c12	13451769	JPFFMNSHZHZAND-UHFFFAOYSA-N	327.119	3.678	5	1	EHBF	biogenic
c1cc2nc3ccc(=[N+]4CCCC4)cc-3sc2cc1N1CCCC1	138397634	ICLNINUBPCLZNB-UHFFFAOYSA-N	336.484	3.567	5	1	EHBF	in-vivo
COc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1Cl	587267930	IROROKAHENSAGA-UHFFFAOYSA-N	349.778	3.501	5	1	EHBF	
COc1cc(C)c2c(=O)c3c(O)c(Cl)c(O)c(Cl)c3oc2c1	13451773	PCGGYLLGIFFWCT-UHFFFAOYSA-N	341.146	3.981	5	1	EHBF	biogenic
COc1cc2c(c3ccccc3n2C)c2c(NCCN(C)C)nccc12	5932668	HXXBCACHFFWOLB-UHFFFAOYSA-N	348.450	3.862	5	1	EHBF	
O=C(/C=C/c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)Nc1ccccc1	587243940	KGWJBAXGIOXIDY-VOTSOKGWSA-N	342.742	3.776	5	1	EHBF	
Cc1c(-c2nc3c(C)c(Br)cnc3[nH]2)cccc1[N+](=O)[O-]	587261071	RPRZMMQERGHLFZ-UHFFFAOYSA-N	347.172	3.912	5	1	EHBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(Cl)nc3[nH]2)c1	587268763	DLGNYTWOSFVSQQ-UHFFFAOYSA-N	343.774	3.787	5	1	EHBF	
Cc1cc(C)cc(OCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1	587564992	SDUHZCCSWBRPRJ-UHFFFAOYSA-N	342.311	3.575	5	1	EHBF	
N=C(N)NCCCCNCc1ccc2ccc3cccc4ccc1c2c34	28825494	UBUXOIGBDQKZIP-UHFFFAOYSA-N	344.462	3.937	5	1	EHBF	
C[C@@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1	587277320	SRNCYMPBIRYTHB-LURJTMIESA-N	326.143	3.584	5	1	EHBF	
CCOc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1[N+](=O)[O-]	169339431	MNROJTUOKLNBDR-UHFFFAOYSA-N	336.731	3.605	5	1	EHBF	
CC[C@@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2cc(C)cc(N)c2O1	587388596	DLURMUNHJAQARG-SFHVURJKSA-N	326.352	3.756	5	1	EHBF	
O=C1NC(=O)c2c1c1c3ccccc3cnc1c1[nH]c3ccccc3c21	13488695	CZCGUKVDOGUXPU-UHFFFAOYSA-N	337.338	3.906	5	1	EHBF	
COC(=O)c1cc(Cl)c2[nH]c(-c3cccc([N+](=O)[O-])c3C)nc2c1	587261042	QLKUMSVJEXVCNJ-UHFFFAOYSA-N	345.742	3.887	5	1	EHBF	
COc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc(Cl)n1	587280124	KGXWQUQZLYSHJT-UHFFFAOYSA-N	332.699	3.629	5	1	EHBF	
Nc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-]	587507112	AOEDRCSMRVQOGR-SFHVURJKSA-N	338.363	3.762	5	1	EHBF	
O=[N+]([O-])c1cc(/C=C/c2nc3nc(Cl)c[nH]c-3n2)ccc1Cl	587047310	GEXOKAQHEMJDDM-DUXPYHPUSA-N	336.138	3.690	5	1	EHBF	
C[N+](C)(C)C[C@@H]1C[S@](=O)C(C2CCCCC2)(C2CCCCC2)O1	29405905	LRBPZOOGQFAYKA-WZONZLPQSA-N	342.569	3.697	5	1	EHBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(C(C)(C)C)c2[nH]1	587273619	JFVINWHVBOMHNI-LLVKDONJSA-N	327.388	3.769	5	1	EHBF	
CCn1ncc(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)c1C	587645647	ARWHNWFWQYMTTG-UHFFFAOYSA-N	348.309	3.770	5	1	EHBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587417644	DPKKPRSXLYKMGA-SJCJKPOMSA-N	345.738	3.746	5	1	EHBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(C(F)(F)F)cc2[nH]1	587267815	RKUKCTDNXNRFOO-MRVPVSSYSA-N	339.277	3.604	5	1	EHBF	
COc1cccc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c1	587646937	NJHNEFBIRMCKGF-UHFFFAOYSA-N	325.324	3.645	5	1	EHBF	
N[C@@H](c1ccsc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1	587028688	YZPYJQABUPTOCE-KRWDZBQOSA-N	331.404	3.769	5	1	EHBF	
O=C(OCCCCn1ccc2cc([N+](=O)[O-])ccc21)c1cccnc1	13524815	LBLCXMMSDOJETI-UHFFFAOYSA-N	339.351	3.582	5	1	EHBF	
CSc1nc(C)c(C(=O)OC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1	29327098	CUTRVDZSAJMOKX-UHFFFAOYSA-N	347.396	3.647	5	1	EHBF	
CC(=O)N(C)c1ccc2c(c1)c1c(sc3ccccc31)c(=O)n2C	103231890	NAYZEBDGCJHOME-UHFFFAOYSA-N	336.416	3.889	5	1	EHBF	
Cc1nccc2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc12	587270682	QICGOJZACOTGJV-UHFFFAOYSA-N	331.335	3.904	5	1	EHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(O)(C(F)(F)F)C(F)(F)F	587644845	DIMRANKGODHGGL-UHFFFAOYSA-N	342.195	3.697	5	1	EHBF	
COc1cc([N+](=O)[O-])c(F)cc1[C@@H]1NCCc2c1sc(C)c2C	963008130	JPMFYBYKGJQZQJ-HNNXBMFYSA-N	336.388	3.656	5	1	EHBF	
Cc1cc2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2c(C)n1	587269062	JMVXYZQQJQFNGM-UHFFFAOYSA-N	337.383	3.750	5	1	EHBF	
CSc1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1	587263849	GORBEPCKMJAMRB-UHFFFAOYSA-N	344.352	3.692	5	1	EHBF	
COc1ccc2c(c1O)c(C)[n+](C)c1c3cc4c(cc3ccc21)OCO4	100827374	SCZCWLMDEGGRRO-UHFFFAOYSA-O	348.378	3.722	5	1	EHBF	
Cc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CC[N+](C)([O-])CC1	28011145	QHUGBRVNRRWUKV-UHFFFAOYSA-N	346.431	3.591	5	1	EHBF	
OCc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1	586895405	ZMHAXKTZRIHACG-UHFFFAOYSA-N	326.359	3.819	5	1	EHBF	
O=c1c2c(O)cc(OC[C@@H]3CO3)cc2oc2ccc3ccccc3c12	45387978	FWCIVFWSVCNBGB-CYBMUJFWSA-N	334.327	3.583	5	1	EHBF	
COc1cc2c3c(c1)O[C@@](C)(c1cccc([N+](=O)[O-])c1C)[C@@H](C2)C3=O	587431892	ICNVNJAWFGYVPV-LIRRHRJNSA-N	339.347	3.575	5	1	EHBF	
Cc1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1C	587265675	WLYFCOWUTBHFCO-UHFFFAOYSA-N	326.312	3.587	5	1	EHBF	
CC(CO)(CO)NCCCc1ccc2ccc3cccc4ccc1c2c34	26403049	XAVMQQTWYYBMCK-UHFFFAOYSA-N	347.458	3.850	5	1	EHBF	
COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1O)CCN3C	198043956	QAKYRJNCIMMIRN-UHFFFAOYSA-N	339.391	3.717	5	1	EHBF	
O=[N+]([O-])c1cc2nc(Cc3c(F)cncc3Cl)[nH]c2cc1Cl	587176117	NXBSWVHMVSPTAA-UHFFFAOYSA-N	341.129	3.903	5	1	EHBF	
N=C(N)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1	587264093	BCZANGGJQIPVIZ-UHFFFAOYSA-N	347.334	3.682	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc([N+](=O)[O-])c1C)O2	587391719	XPHXZZNVALMZAA-GOSISDBHSA-N	326.352	3.674	5	1	EHBF	
O=C1C[C@]2(Cc3ccc([N+](=O)[O-])cc3C2)Oc2c1ccc1c2CCCC1	587514308	WMRWPHBCGFKELO-OAQYLSRUSA-N	349.386	3.976	5	1	EHBF	
CCc1c(-c2cc3c(cc2N)OCCO3)[nH]c2cccc([N+](=O)[O-])c12	587647045	DMDOQZGRJKOIJY-UHFFFAOYSA-N	339.351	3.659	5	1	EHBF	
CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1ncccc1[N+](=O)[O-]	963256200	BURTXTWBRIXKTL-LIRRHRJNSA-N	325.412	3.910	5	1	EHBF	
O=C(O)c1cn(C2CC2)c2c(cc(F)c3c2[nH]c2ccsc23)c1=O	58576574	PHOLFMMCGGYQBF-UHFFFAOYSA-N	342.351	3.870	5	1	EHBF	
COc1ccc(C=O)c2cc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)oc12	586902956	DCMNVXXAVFLNKI-UHFFFAOYSA-N	337.291	3.705	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2cc1[N+](=O)[O-]	587040634	IOMHERWBXXASOL-AWEZNQCLSA-N	342.336	3.769	5	1	EHBF	
O=C(O)c1cccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12	587139057	DCELNZCTWZHWQS-UHFFFAOYSA-N	335.678	3.629	5	1	EHBF	
O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(F)cnc4[nH]3)c2)c1	587269783	GQNWWAFOPYZVCR-UHFFFAOYSA-N	335.298	3.734	5	1	EHBF	
O=c1c2c(O)cc(OC[C@H]3CO3)cc2oc2ccc3ccccc3c12	45387982	FWCIVFWSVCNBGB-ZDUSSCGKSA-N	334.327	3.583	5	1	EHBF	
CSc1nc([N+](=O)[O-])cn1C[C@H](O)c1ccc(Cl)cc1Cl	66077108	WAWSGBFFINFLFR-JTQLQIEISA-N	348.211	3.554	5	1	EHBF	
C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])c(O)c(C=O)c4CC[C@H]3[C@@H]1CCC2=O	72127562	PHZLNYHJRCTTOZ-RHQBZFHZSA-N	343.379	3.538	5	1	EHBF	
Cc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)c(O)c1	84616653	PEAJWCWLCZSBMA-UHFFFAOYSA-N	343.364	3.951	5	1	EHBF	
Cc1c(-c2nc3ccc(Br)nc3[nH]2)cccc1[N+](=O)[O-]	587261050	QRBRZPMGQUHYBX-UHFFFAOYSA-N	333.145	3.604	5	1	EHBF	
CS[C@@]1(C)C(=O)Nc2c(OCc3ccccc3)cc([N+](=O)[O-])cc21	6499899	GILSTAGPKOKDLC-QGZVFWFLSA-N	344.392	3.704	5	1	EHBF	
CC(C)Oc1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1	587268376	UFISVNOEDZLTDV-UHFFFAOYSA-N	343.387	3.627	5	1	EHBF	
COc1ccc2nc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)sc2c1	587035320	OVNTWLYXBVSUIK-UHFFFAOYSA-N	326.337	3.756	5	1	EHBF	
CCOC(=O)c1ccc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2c1	587260713	AUMPVTMDRZPRJN-UHFFFAOYSA-N	325.324	3.623	5	1	EHBF	
CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ncccc1[N+](=O)[O-]	963256199	BURTXTWBRIXKTL-KUHUBIRLSA-N	325.412	3.910	5	1	EHBF	
CNc1ccc(OC)cc1-c1nc2cc3ccccc3cc2n(C)c1=O	3201333	IXWGGPLYJJUPSJ-UHFFFAOYSA-N	345.402	3.804	5	1	EHBF	
C[N+](C)(C)CCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1	299830180	NMXSGCMODWNSCK-UHFFFAOYSA-O	342.415	3.517	5	1	EHBF	
O=[N+]([O-])c1cncc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12	587067817	AAEBESMIVVCVPX-UHFFFAOYSA-N	340.730	3.577	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12	587098886	YKVJAUWHSGZYML-UHFFFAOYSA-N	326.209	3.691	5	1	EHBF	
Cc1c(F)cccc1-c1cc(-c2nc3ncc[nH]c-3n2)cc([N+](=O)[O-])c1	587136193	DNPITOXTURTEOW-UHFFFAOYSA-N	349.325	3.994	5	1	EHBF	
O=C(c1ccccn1)c1c(-c2ccccn2)[nH]c2cc([N+](=O)[O-])ccc12	587649335	RXVSNCXNWKOJGT-UHFFFAOYSA-N	344.330	3.764	5	1	EHBF	
O=c1oc2cc([N+](=O)[O-])ccc2nc1/C=C(O)/C=C/c1ccccc1	101570778	QKPASNLWYLQWLD-SQKGQWCESA-N	336.303	3.709	5	1	EHBF	
Cc1ccc(-c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1	299871416	YMESTCFVBCWUMM-IZZDOVSWSA-N	348.362	3.945	5	1	EHBF	
C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1	587070001	OAPUQTJEBWKZBD-VIFPVBQESA-N	344.758	3.896	5	1	EHBF	
O=C(/C=C\c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)Nc1ccccc1	587243926	KGWJBAXGIOXIDY-SREVYHEPSA-N	342.742	3.776	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(-c3cccnc3NCc3ccccc3)[nH]c12	587230339	SKLVZUQIBJFDAR-UHFFFAOYSA-N	346.350	3.540	5	1	EHBF	
CC(=O)c1ccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2c1	587262728	WRQRBSVOBHACCI-UHFFFAOYSA-N	339.351	3.604	5	1	EHBF	
CC1(C)[C@]2(C(=O)c3coc4cc([N+](=O)[O-])ccc34)CC[C@@]1(C)C(=O)O2	587279767	RIMSHSPTILQOET-ZWKOTPCHSA-N	343.335	3.646	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1[N+](=O)[O-])O2	587379217	TYSGEZCEKURKMG-HNNXBMFYSA-N	332.743	3.845	5	1	EHBF	
COc1cc2c3c(c1)O[C@@](C)(c1ccc([N+](=O)[O-])cc1C)[C@@H](C2)C3=O	587431806	GVJZTNCYTIISQK-KXBFYZLASA-N	339.347	3.575	5	1	EHBF	
COc1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(OC)c1C	587786037	BIVDWQXMPGWADR-UHFFFAOYSA-N	331.303	3.603	5	1	EHBF	
CC[N+](C)(CC)CCS[C@H](N=O)C(=O)c1ccc(Cl)cc1	169713385	UFBOOBLHJZQTJI-HNNXBMFYSA-N	329.873	3.835	5	1	EHBF	
COC(=O)c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1	587139646	NNKWCWFRGTXZGB-UHFFFAOYSA-N	349.705	3.717	5	1	EHBF	
Cc1cc(=O)oc2c1c1c(c3oc([N+](=O)[O-])cc32)C=CC(C)(C)O1	169342957	PVAICSKUCUMJDJ-UHFFFAOYSA-N	327.292	3.940	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1	587021708	NZFDPZVNWQDSPL-UHFFFAOYSA-N	337.364	3.580	5	1	EHBF	
OCc1ccc(F)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1	587140006	DECNLPMNMDIYNG-UHFFFAOYSA-N	344.349	3.958	5	1	EHBF	
COc1cc(OCc2nc3cccc(Cl)c3[nH]2)ccc1[N+](=O)[O-]	587262972	JSQZTLFJBRUMIM-UHFFFAOYSA-N	333.731	3.712	5	1	EHBF	
O=C(O)c1cc(-c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)on1	49803582	KNXHRAXNGXJBNN-UHFFFAOYSA-N	340.291	3.527	5	1	EHBF	
CCCCCn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1	84614909	RWISRIVDQAWPRV-UHFFFAOYSA-N	339.395	3.950	5	1	EHBF	
C[C@@H]1C(=O)CC[C@@H]1Cc1nc2c3cccnc3c3ncccc3c2[nH]1	587963241	LXCVLWFDMKLLAK-NWDGAFQWSA-N	330.391	3.817	5	1	EHBF	
Cc1[nH]c2cc(F)ccc2c1C(=O)OCc1ccc([N+](=O)[O-])cc1	587635053	CRNQGNUZCZGZRX-UHFFFAOYSA-N	328.299	3.881	5	1	EHBF	
Cc1ccc(OCCSc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1	1857755337	OWVFFDKHUKLNJK-UHFFFAOYSA-N	329.381	3.951	5	1	EHBF	
CCCCOCCCNc1cc(-c2cccc([N+](=O)[O-])c2)ncn1	82161634	LXIYDLFHKDOMEN-UHFFFAOYSA-N	330.388	3.671	5	1	EHBF	
O=C(O)c1cc(Nc2cnc3ccc([N+](=O)[O-])cc3n2)ccc1Cl	72108065	HTERGXIBBUKRBZ-UHFFFAOYSA-N	344.714	3.633	5	1	EHBF	
CC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587432743	LMVNYGLKNDWPKN-BEFAXECRSA-N	339.347	3.656	5	1	EHBF	
O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)C=C[C@@H](O)[C@@H]4O	27872928	DDTKLIBTCCSFGT-UZLBHIALSA-N	331.327	3.913	5	1	EHBF	
Cc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1Cl	587267592	ASEVJKIRTZGOSP-UHFFFAOYSA-N	333.779	3.801	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc([N+](=O)[O-])ccc3o1)O2	587388643	FANSAGANGNZMCK-KRWDZBQOSA-N	338.319	3.938	5	1	EHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)(F)Br	587645516	XTOFBRGRFSEPLI-UHFFFAOYSA-N	333.088	3.555	5	1	EHBF	
O=C1c2cccc([N+](=O)[O-])c2CN1CC12CC3CC(CC(C3)C1)C2	1857756752	NLNCULXZWNFLRD-UHFFFAOYSA-N	326.396	3.767	5	1	EHBF	
O=[N+]([O-])c1cc2nc(-c3cc(F)cc(F)c3O)[nH]c2cc1Cl	587134032	INFCTQUOJLRUCY-UHFFFAOYSA-N	325.658	3.775	5	1	EHBF	
O=[N+]([O-])c1ccc(Cc2nc3ccc4ncccc4c3[nH]2)c([N+](=O)[O-])c1	587263774	DJUAYNHDLOSYOO-UHFFFAOYSA-N	349.306	3.518	5	1	EHBF	
Cn1cnc2c3c(ccc21)ncc1c(O)n(-c2ccc(Cl)cc2)nc13	26578347	FPLNJKOWZGJOQF-UHFFFAOYSA-N	349.781	3.819	5	1	EHBF	
Cc1cc(N(C)Cc2nc3cccc(C)c3[nH]2)c([N+](=O)[O-])cc1F	587136964	MINHJGDPOBYQCU-UHFFFAOYSA-N	328.347	3.863	5	1	EHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)(F)Br	587645617	ZXGTYLPETQKJPZ-UHFFFAOYSA-N	333.088	3.555	5	1	EHBF	
COc1ccc(CCCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1OC	587925306	LLVADZOSAVKIMC-UHFFFAOYSA-N	341.367	3.664	5	1	EHBF	
Cc1nc([N+](=O)[O-])cn1CCOC(c1ccccc1)c1ccccc1	28461403	YZZMGVVPOWMLFM-UHFFFAOYSA-N	337.379	3.906	5	1	EHBF	
O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@@H]2CC[C@@H]3O2)c2ccccc12	169727207	MQRBVUDXEAGBPG-KBPBESRZSA-N	338.319	3.856	5	1	EHBF	
Cc1cc2[nH]c(C[C@H](N)c3ccccc3Cl)nc2cc1[N+](=O)[O-]	587058762	JJBVOXPGJHFLPN-LBPRGKRZSA-N	330.775	3.675	5	1	EHBF	
COc1ccc(C)cc1NCCCc1nc2cccc([N+](=O)[O-])c2[nH]1	587228727	GMXUQWGYBOVNFU-UHFFFAOYSA-N	340.383	3.833	5	1	EHBF	
COc1ccc(-c2cc3nc(N(C)C)c4ccccc4c3nn2)cc1	28759126	GEXSCHFODZRCDT-UHFFFAOYSA-N	330.391	3.920	5	1	EHBF	
c1ccc2cc3c(Nc4cc[nH]n4)nnc(Nc4cc[nH]n4)c3cc2c1	66066339	CJERBWFIRUBKBS-UHFFFAOYSA-N	342.366	3.716	5	1	EHBF	
CC[C@H](C)c1nc2c(O)nc3c(OC)c(OC)cc4ccn1c2c43	299820935	JIQXKKYNVGCTCY-VIFPVBQESA-N	325.368	3.710	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc([N+](=O)[O-])ccc1F)O2	587382120	OCWXGUPENSNNIF-QGZVFWFLSA-N	330.315	3.505	5	1	EHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(F)cc1F	587646011	QFOYLIUCCSVDQU-UHFFFAOYSA-N	331.278	3.915	5	1	EHBF	
CC(C)c1ccc2nc3c(C(=O)NCCN(C)C)cccc3cc2c1	29563090	RDYQHRRDESUJIB-UHFFFAOYSA-N	335.451	3.803	5	1	EHBF	
CCNC(=O)c1cc(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccccc12	6040396	HPHHUQLTSBTFCK-BQYQJAHWSA-N	337.335	3.656	5	1	EHBF	
CN(C)CCCCn1c2cc(=O)c3ccccc3c-2nc2ccccc21	299855848	BSFSAPDPSRLLMX-UHFFFAOYSA-N	345.446	3.996	5	1	EHBF	
COc1cc2ncc3c(N)nc(-c4cccnc4C)cc3c2cc1OC	45256328	MNANFNDZMBYIJU-UHFFFAOYSA-N	346.390	3.753	5	1	EHBF	
CCOC(=O)c1nc(O)c2c(-c3ccccc3)c3ccccc3nc2n1	26639304	MGENTJKIMPJWOF-UHFFFAOYSA-N	345.358	3.727	5	1	EHBF	
CC(C)Oc1ccc(C(=O)C(Cl)(Cl)Cl)cc1[N+](=O)[O-]	1857770413	UGGRAOSZWRZDGN-UHFFFAOYSA-N	326.563	3.935	5	1	EHBF	
Nc1[nH]nc(-c2ccc([N+](=O)[O-])cc2)c1-c1nc2ccccc2s1	114399191	GKSNARXNHGWVNM-UHFFFAOYSA-N	337.364	3.844	5	1	EHBF	
COc1cc(CC[N+](C)(C)[O-])c2c(c1OC)[C@@H]1C=CC=C[C@H]1C=C2	40864990	JXRWQIQJOZZSLA-GOEBONIOSA-N	327.424	3.673	5	1	EHBF	
COc1cc2c3c(c1)O[C@@H](c1cccc([N+](=O)[O-])c1Cl)[C@@H](C2)C3=O	587417611	CZGYODBOCMAPHA-GTNSWQLSSA-N	345.738	3.746	5	1	EHBF	
O=[N+]([O-])c1ccc(C2=NC(=S)N[C@H](c3ccc(F)cc3)C2)cc1	103165058	WLAIVSCAYFVLRC-AWEZNQCLSA-N	329.356	3.543	5	1	EHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1cccnc1Cl	587644918	FSDVVNIWSPNBDI-UHFFFAOYSA-N	330.731	3.685	5	1	EHBF	
O=c1c2[nH]c3ccc4ccccc4c3sc=2c(=O)c2ccccc12	101614281	ZTBDPLMQPJHIPF-UHFFFAOYSA-N	329.380	3.981	5	1	EHBF	
O=[N+]([O-])c1cccc2c(Br)cc(Br)nc12	299857403	CTPGKWJTUPPPTD-UHFFFAOYSA-N	331.951	3.668	5	1	EHBF	
Cn1c2nc3ccccc3c-2c(NCCCN)c2cc([N+](=O)[O-])ccc21	103075483	WTHWHIMAHQBRHM-UHFFFAOYSA-N	349.394	3.500	5	1	EHBF	
N[C@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccccc1Cl	587057883	SLPHYTUNIAYVGO-LLVKDONJSA-N	334.738	3.506	5	1	EHBF	
NC(=O)c1c2cc(Br)ccc2nc2c1[nH]c1ccccc12	39137382	WJMOLTXLGFWETF-UHFFFAOYSA-N	340.180	3.731	5	1	EHBF	
NCc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1	587247129	WGYWDWFNFWIUTK-UHFFFAOYSA-N	325.375	3.785	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@](CC)(CC[C@@H](C)[N+](=O)[O-])CC2=O	587473670	ZEBCDIWLYHXFAS-KZULUSFZSA-N	335.400	3.904	5	1	EHBF	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1	587233322	MBRWYCUCODXRCA-NWDGAFQWSA-N	346.387	3.632	5	1	EHBF	
COc1c2c3ccc4cc5c(cc4c3n(C)cc-2ccc1=O)OCO5	473083648	OZZHZSOMRHBASD-UHFFFAOYSA-N	333.343	3.534	5	1	EHBF	
C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587070846	XPULLQHFURKGBR-SECBINFHSA-N	344.758	3.896	5	1	EHBF	
COCCOc1ccc(-c2nc3ccc(C)c(C)c3[nH]2)cc1[N+](=O)[O-]	587266508	ZJOTVOPTBBBVPV-UHFFFAOYSA-N	341.367	3.780	5	1	EHBF	
CCN(CC)CCCOc1ccc2c(=O)c3ccc(O)cc3oc2c1	71296473	CBMHVPYSCRBHLR-UHFFFAOYSA-N	341.407	3.763	5	1	EHBF	
CCOc1ccc([N+](=O)[O-])cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	587388407	AZTNRYCASOGYSV-QGZVFWFLSA-N	342.351	3.591	5	1	EHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(O)(C(F)(F)F)C(F)(F)F	587644975	GOWKDIPFRBNDBB-UHFFFAOYSA-N	342.195	3.697	5	1	EHBF	
CC(CO)(CO)NCc1ccc2c3ccccc3c3ccccc3c2c1	5761716	JKWATNMPEICJJM-UHFFFAOYSA-N	345.442	3.979	5	1	EHBF	
Cc1ccc(-n2cnc3c(sc4ncc5cc[nH]c5c43)c2=O)cc1	28827137	FGQIFROFERTXDJ-UHFFFAOYSA-N	332.388	3.785	5	1	EHBF	
Nc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-]	587507111	AOEDRCSMRVQOGR-GOSISDBHSA-N	338.363	3.762	5	1	EHBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3)c(CN3CCOCC3)c12	587648288	BGISFALBBSMKCU-UHFFFAOYSA-N	337.379	3.575	5	1	EHBF	
Cc1cnc(Cl)c2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc12	587150607	MKBBLKMSXRVBFK-UHFFFAOYSA-N	336.710	3.546	5	1	EHBF	
CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1	101679285	LSVLWZWNUWQXTH-PXAZEXFGSA-N	347.371	3.544	5	1	EHBF	
C[C@H](C(=O)OCCN(C)C)c1ccc2c(=O)c3ccccc3ccc2c1	39220557	OQPDBBOSKZRPFN-HNNXBMFYSA-N	349.430	3.562	5	1	EHBF	
Cc1nnc2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3n12	40914218	RVRNDZNYYWUSHQ-MDZDMXLPSA-N	331.335	3.665	5	1	EHBF	
Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1	586884680	AEXVQPGPTOBGSH-SJKOYZFVSA-N	325.368	3.925	5	1	EHBF	
O=C1NCc2c1c1c3ccc(O)cc3[nH]c1c1[nH]c3ccccc3c21	28472314	GMSWOSYARKHCHX-UHFFFAOYSA-N	327.343	3.905	5	1	EHBF	biogenic
O=[N+]([O-])c1cc2nc(/C=C\c3ccc(F)cc3F)[nH]c2cc1[N+](=O)[O-]	587151246	RDVPDKNBOIPIOE-RQOWECAXSA-N	346.249	3.828	5	1	EHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1cccnc1Cl	587645554	YTMRPCIVNDWOCP-UHFFFAOYSA-N	330.731	3.685	5	1	EHBF	
Cc1ccc([C@@H](C)[C@H](O)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1	586884678	AEXVQPGPTOBGSH-PXAZEXFGSA-N	325.368	3.925	5	1	EHBF	
O=C1CSC[C@@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)N1	587042982	OIVAATGBINAAOD-HNNXBMFYSA-N	333.416	3.773	5	1	EHBF	
O=c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccc2n1Cc1ccco1	1772614370	UMGZDFUNVVRTSB-UHFFFAOYSA-N	347.330	3.613	5	1	EHBF	
COc1cc2oc3c(Cl)c(O)cc(C)c3c(=O)c2c(O)c1Cl	13451816	GTWOVAOTUZEYJE-UHFFFAOYSA-N	341.146	3.981	5	1	EHBF	biogenic
O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)[C@H](O)[C@H](O)C=C4	27876513	WDHBKPKURFBUFF-XLIONFOSSA-N	331.327	3.913	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c([N+](=O)[O-])cccc3cn1)O2	587389223	JZLBYTYEFULFBU-GOSISDBHSA-N	349.346	3.740	5	1	EHBF	
O=C(O)c1nc2cccnc2c2[nH]c3c(Br)cccc3c12	473108523	MUVCSDSMBYPVGX-UHFFFAOYSA-N	342.152	3.725	5	1	EHBF	
O=C1C[C@@]2(Cc3ccc([N+](=O)[O-])cc3C2)Oc2c1ccc1c2CCCC1	587514305	WMRWPHBCGFKELO-NRFANRHFSA-N	349.386	3.976	5	1	EHBF	
COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])c(C)cc1F)[C@@H](C2)C3=O	587421909	BCLDVSZLRXECED-KPZWWZAWSA-N	343.310	3.540	5	1	EHBF	
O=C1C[C@](C[N+](=O)[O-])(c2ccccc2)Oc2c1ccc1c2CCCC1	587511811	RYYHNTYQTMXBHY-FQEVSTJZSA-N	337.375	3.703	5	1	EHBF	
C[C@](C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)C1CCCC1	43174486	DVRRHBYHAIRKEY-NRFANRHFSA-N	330.492	3.917	5	1	EHBF	
CC(CO)(CO)NCc1cccc2c3ccccc3c3ccccc3c12	3644657	UFFJMFBVKJUAKN-UHFFFAOYSA-N	345.442	3.979	5	1	EHBF	
CCc1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1Br	586977727	QVPHPORCMWWGEX-UHFFFAOYSA-N	347.172	3.858	5	1	EHBF	
CCOc1cc(-c2cccc(F)c2)nn1-c1ncc([N+](=O)[O-])cc1C	587871492	JCPDRAOQNMJLNW-UHFFFAOYSA-N	342.330	3.689	5	1	EHBF	
CSc1ccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)cc1	98085378	WHZBOTWDKGGDPV-UHFFFAOYSA-N	332.392	3.543	5	1	EHBF	
Cc1cc(N(C)Cc2nc3c(Cl)ccnc3[nH]2)c([N+](=O)[O-])cc1F	587136878	KNALGCRTYZMSHI-UHFFFAOYSA-N	349.753	3.603	5	1	EHBF	
Cc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Cl	587265545	VYAOLTVTOQAYKK-UHFFFAOYSA-N	346.730	3.932	5	1	EHBF	
Cc1c2cnccc2c(C(=O)NCCCCN)c2[nH]c3ccccc3c12	1772639220	RHTNYOQAOBOORX-UHFFFAOYSA-N	346.434	3.646	5	1	EHBF	
CC(C)(C)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1	587268890	MWOJTNIJLZAZMJ-UHFFFAOYSA-N	325.372	3.776	5	1	EHBF	
Cn1nc(C(C)(C)C)cc1C(=O)c1coc2cc([N+](=O)[O-])ccc12	587280077	ZZJYVFJUUSQIRK-UHFFFAOYSA-N	327.340	3.603	5	1	EHBF	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C)[nH]c2cccc(F)c12	587635394	HBSHWRCZXCVNHR-UHFFFAOYSA-N	343.314	3.785	5	1	EHBF	
Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1Oc1ccccc1[N+](=O)[O-]	587649826	CDAVJTGHPLKJRJ-UHFFFAOYSA-N	346.364	3.580	5	1	EHBF	
COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2Cn2ccnc2)cc1	587647634	KXIIVESPVBXRCO-UHFFFAOYSA-N	348.362	3.997	5	1	EHBF	
O=Cc1cc(Br)cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1	586982284	JQHNOJNQOOHWIK-UHFFFAOYSA-N	346.140	3.713	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])cc1Cl)O2	587377316	WHYKHHKFUUVZFL-OAHLLOKOSA-N	332.743	3.845	5	1	EHBF	
CC/N=c1/cc2oc3cc(NCCO)c4ccccc4c3nc-2cc1C	29059386	GDPMNXAOPCPFJI-JWGURIENSA-N	347.418	3.719	5	1	EHBF	
Cc1ccccc1C[n+]1ccc2c3ccccc3n3c(=O)ccc1c23	653806051	IBPFRRLIEBINBA-UHFFFAOYSA-N	325.391	3.688	5	1	EHBF	
CN(C)CCSc1nc2ccccc2c2nc3ccccc3nc12	1772649647	LYKPPCGHCCFWMF-UHFFFAOYSA-N	334.448	3.985	5	1	EHBF	
C[C@H]1C[N+]2([O-])C[C@@H]3CCC4=C5C(=CC[C@]56[C@H]2[C@H]1CC[C@]36CO)CC4	238755854	GQTCZLFAXGKENP-DSDZUJQFSA-N	327.468	3.539	5	1	EHBF	
COc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1C	587158333	COEQAELQZJIOCB-UHFFFAOYSA-N	331.303	3.506	5	1	EHBF	
O=[N+]([O-])c1cc(F)cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1	587160001	BGGXQBDWOGJIJC-UHFFFAOYSA-N	327.102	3.979	5	1	EHBF	
O=[N+]([O-])c1cc(F)cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1	587160268	OMCDIQBXJOOGID-UHFFFAOYSA-N	326.209	3.691	5	1	EHBF	
COc1cc(C)ccc1OCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587564532	VJJNUVBYXTZORO-UHFFFAOYSA-N	331.303	3.506	5	1	EHBF	
Cc1cnc2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc2c1	587270261	UEUUKWCWUQSWRA-UHFFFAOYSA-N	331.335	3.904	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(N)c([N+](=O)[O-])c1)CC2=O	587468670	CMVXLPABXSMJPH-QGZVFWFLSA-N	342.351	3.542	5	1	EHBF	
CC1(C)Oc2c(c3nc4c(nc3c3ccccc23)CCCC4)C[C@@H]1O	40576283	LYHUNAJWCXAXSR-KRWDZBQOSA-N	334.419	3.736	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2c1	587085917	OAGRJWJLTJJVBH-UHFFFAOYSA-N	325.715	3.735	5	1	EHBF	
Nc1nc2oc3cc(C4=CCCCC4)ccc3c(=O)c2cc1C(=O)O	1857775311	BAFQSWSZWUUJJM-UHFFFAOYSA-N	336.347	3.579	5	1	EHBF	
O=C([C@@H]1O[C@@H]1c1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2	5540253	DWOPRENAUBUKIB-WNASQKBVSA-N	327.380	3.820	5	1	EHBF	
COc1cc2oc3cccc(O)c3c(=O)c2c(O)c1CC=C(C)C	238743595	ZRJLBKWDYKDOMW-UHFFFAOYSA-N	326.348	3.875	5	1	EHBF	
COc1cc(-c2nc3cc(C)cc(C)c3[nH]2)c(OC)c([N+](=O)[O-])c1	587261220	ZFUJEADZSBLNCE-UHFFFAOYSA-N	327.340	3.772	5	1	EHBF	
COC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccccc1F	587645971	OZMZYYBOUXMNCQ-UHFFFAOYSA-N	328.299	3.598	5	1	EHBF	
[O]C(=C1C=CN(CC(=O)c2cccc([N+](=O)[O-])c2)C=C1)c1ccccc1	2356862696	MXNKOJUENUEYQG-UHFFFAOYSA-N	347.350	3.962	5	1	EHBF	
O=C1C[C@H]2c3ccc4ccccc4c3O[C@H]2N1c1ccc([N+](=O)[O-])cc1	98085255	WKMBACBNMFMYOD-FXAWDEMLSA-N	346.342	3.987	5	1	EHBF	
COc1c(F)ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1N	587132881	KFVCAPLQRFDHSI-UHFFFAOYSA-N	336.710	3.521	5	1	EHBF	
COc1cc2c3c(c(OC)c4c(OC)cccc4c3c1OC)NC2=O	2356804471	UGTKGINYNDOEMB-UHFFFAOYSA-N	339.347	3.593	5	1	EHBF	
CCCCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1	1772628477	LRTMOFNKLLQTFJ-UHFFFAOYSA-N	338.345	3.835	5	1	EHBF	
O=[N+]([O-])c1cc(F)cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1	587160501	UCNQRIHYEBMGIJ-UHFFFAOYSA-N	336.666	3.839	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc([N+](=O)[O-])c1Cl)O2	587376471	DCHHFGJMKKKZFV-CQSZACIVSA-N	332.743	3.845	5	1	EHBF	
O=[N+]([O-])c1cc2nc(CCOCc3ccccc3)[nH]c2cc1Cl	587565798	KMINJIINWYRAAS-UHFFFAOYSA-N	331.759	3.884	5	1	EHBF	
O=c1[nH]c2cc(-c3cccc([N+](=O)[O-])c3)ccc2n1Cc1ccccc1	26653517	IFPXBLQVJULITA-UHFFFAOYSA-N	345.358	3.953	5	1	EHBF	
COc1ccccc1CCOC(=S)Nc1ccc([N+](=O)[O-])cc1	40893624	AXTREVCPUAWYPE-UHFFFAOYSA-N	332.381	3.560	5	1	EHBF	
CC[C@H]1C[N+]2(C[C@H](O)c3ccnc4ccc(OC)cc34)CCC1CC2	169338018	VSYLYJZAYCHMJI-VKAFLWDJSA-N	341.475	3.543	5	1	EHBF	
O=C(O)c1cccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12	587047159	CUPJACCDQMLKBC-FNORWQNLSA-N	343.726	3.993	5	1	EHBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Cl)c(F)c(F)c2[nH]1	587268004	VMHFBEFAISJCIQ-ZCFIWIBFSA-N	341.705	3.517	5	1	EHBF	
O=C(OCc1ccccc1)c1coc(-c2ccc([N+](=O)[O-])cc2F)n1	49114208	OTFARDMDOXLJLQ-UHFFFAOYSA-N	342.282	3.746	5	1	EHBF	
O[C@H]1[C@H](O)c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@@H]2O[C@@H]21	254043355	LBOOERJKINPNNR-CLAROIROSA-N	328.367	3.994	5	1	EHBF	
C[C@@H](O)c1ncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)s1	587022806	ZBXLNALPEJXWDZ-SECBINFHSA-N	347.403	3.836	5	1	EHBF	
O=[N+]([O-])c1ccc(Cl)c([C@H]2NCCc3ccc(O)cc32)c1Cl	963329690	QZGNDQHHIRNTBK-HNNXBMFYSA-N	339.178	3.842	5	1	EHBF	
CN(C)CCCNc1nc2ccccc2c2nc3ccccc3nc12	1772649680	PNQMOYNEACMMAG-UHFFFAOYSA-N	331.423	3.695	5	1	EHBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(F)c(C)c3[nH]2)c1	587261399	APQDNGRBXVPLPZ-UHFFFAOYSA-N	329.331	3.849	5	1	EHBF	
CCCOc1cccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1	587778105	HIGGZHBPIVZTIM-UHFFFAOYSA-N	329.331	3.990	5	1	EHBF	
O=[N+]([O-])c1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1F	587781143	QOBMRBQUSPEGKS-DAXSKMNVSA-N	327.315	3.840	5	1	EHBF	
COc1cc2cn(C)c3c(ccc4cc5c(cc43)OCO5)c-2cc1=O	208936285	LWUFCYZBXMEMKN-UHFFFAOYSA-N	333.343	3.534	5	1	EHBF	
CC1(C)[C@@H](COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]2CC[C@@H]1C2	15119512	UFRKERSPCBOLGU-NVBFEUDRSA-N	348.355	3.732	5	1	EHBF	
CCSCCSc1nnc(-c2ccccc2[N+](=O)[O-])s1	29044093	AIFLVCFALOPDMI-UHFFFAOYSA-N	327.456	3.959	5	1	EHBF	
O=C(O)Cc1c(-c2cc(F)ccc2F)[nH]c2cc([N+](=O)[O-])ccc12	587646232	XTZPRKPBPALWAO-UHFFFAOYSA-N	332.262	3.648	5	1	EHBF	
NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587068800	DVNFZQMCRHBRHS-SNVBAGLBSA-N	348.765	3.549	5	1	EHBF	
C[N+](C)(CCCCCCc1ccccc1)CCCCS(=O)(=O)O	26577938	AICFMPVLNYDBAP-UHFFFAOYSA-O	342.525	3.534	5	1	EHBF	
Cc1cc(Cl)ccc1O[C@H](C)c1nc2cncc([N+](=O)[O-])c2[nH]1	587068116	ZAETVOIZXCJYDM-SECBINFHSA-N	332.747	3.968	5	1	EHBF	
O=[N+]([O-])c1cnc(NC2CCCC2)nc1Nc1ccc2[nH]ccc2c1	64479767	LSLVFTIMITYYFZ-UHFFFAOYSA-N	338.371	3.964	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])c(C)cc1F)O2	587383424	ZZWKDOMEVKSKQM-MRXNPFEDSA-N	330.315	3.639	5	1	EHBF	
COc1cc2c(N3CCNCC3)nc3ccccc3c2c2ccccc12	13742152	RYOMVLBXPZVFIK-UHFFFAOYSA-N	343.430	3.959	5	1	EHBF	
CC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cccc([N+](=O)[O-])c12	587647613	KCPJNFSQEFBNTG-UHFFFAOYSA-N	325.280	3.854	5	1	EHBF	
COc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(OC)c1	587279008	CWFZLUCTGMQASV-UHFFFAOYSA-N	327.292	3.589	5	1	EHBF	
COc1cccc2c(=O)c3c(NCCN(C)C)ccc(C)c3sc12	100824883	OVKJFWXZYPILKA-UHFFFAOYSA-N	342.464	3.705	5	1	EHBF	
O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)C=C[C@H](O)[C@@H]4O	27872932	DDTKLIBTCCSFGT-JXFKEZNVSA-N	331.327	3.913	5	1	EHBF	
CC(=O)Nc1ccc(Cl)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1	587051105	UOQIFCYCGZHYRC-UHFFFAOYSA-N	348.721	3.889	5	1	EHBF	
C[C@H](c1nc2cc(Cl)c(Cl)cc2[nH]1)n1cc([N+](=O)[O-])cn1	587277261	RPQXVYVSJYJACC-ZCFIWIBFSA-N	326.143	3.584	5	1	EHBF	
CC[C@@H]1C[N+]2(c3ccnc4ccc(O[C@@H](C)CO)cc34)CCC1CC2	169338023	XWILDVMVRIRIDF-XOBKXFPOSA-N	341.475	3.752	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3cccc(-c4ccc(O)cc4)c3)nc2c1	586897316	AAIPVYNPYQFTEU-UHFFFAOYSA-N	332.319	3.906	5	1	EHBF	
COCCOc1ccc(-c2nc3cc(C)c(F)cc3[nH]2)cc1[N+](=O)[O-]	587265728	QMUXIKLFEZKTNW-UHFFFAOYSA-N	345.330	3.611	5	1	EHBF	
O=C1O/C(=C\c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c2ccccc21	586906739	PKGNTQUYPRAUME-AUWJEWJLSA-N	341.710	3.793	5	1	EHBF	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Cl)c(F)cc2[nH]1	587269940	UJBNYSCJEXRRPH-UHFFFAOYSA-N	349.705	3.655	5	1	EHBF	
O=c1cc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]c2ccccc12	1857554925	UXVHQMTVBUGNAH-FNORWQNLSA-N	337.291	3.515	5	1	EHBF	
COc1cccc(CCOC(=S)Nc2ccc([N+](=O)[O-])cc2)c1	40422091	VNVILFHGRPKDLE-UHFFFAOYSA-N	332.381	3.560	5	1	EHBF	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc([N+](=O)[O-])c2[nH]1	586964075	UHYCHADNEOPVEK-NSHDSACASA-N	345.384	3.519	5	1	EHBF	
COc1cc(OCc2nc3ccc(C)c(C)c3[nH]2)ccc1[N+](=O)[O-]	587263708	ZGTHRYQKMLHKBD-UHFFFAOYSA-N	327.340	3.676	5	1	EHBF	
CN(C)CCC/N=c1/c2ccccc2n(C)c2c1oc1ccccc12	169721012	LUUXUPREJFYBLU-QOCHGBHMSA-N	333.435	3.930	5	1	EHBF	
Clc1ncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cn1	587086136	TYBLOCJRCIPHNT-UHFFFAOYSA-N	332.754	3.770	5	1	EHBF	
Cc1cc(Cl)cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c12	587269957	GOPNOSLDFUDUPE-ZDUSSCGKSA-N	330.775	3.675	5	1	EHBF	
COc1ccc2nc3ccc(OC)cc3c(SC[C@@H]3CO3)c2c1	5582581	RZJYXPKGGBAERB-ZDUSSCGKSA-N	327.405	3.896	5	1	EHBF	
O=c1nc2cc[c-](-c3cccc([N+](=O)[O-])c3)cc-2n1Cc1ccccc1	169717097	WKKRFUIAPXHJIZ-UHFFFAOYSA-N	344.350	3.691	5	1	EHBF	
COc1cc2c3c(c1)O[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587423887	WVRXTEJUQATJDM-APPDUMDISA-N	345.738	3.746	5	1	EHBF	
CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1/C=C/c1ccccc1	96932559	GOGVJTDMZXOZLP-SXSDINLZSA-N	335.363	3.633	5	1	EHBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(C)(C)C)cc2[nH]1	587274059	MOUHCFQHGJKVSE-LLVKDONJSA-N	327.388	3.769	5	1	EHBF	
COc1ccc(CCCc2nc3cccc([N+](=O)[O-])c3[nH]2)c(OC)c1	587928768	KLJFAIBOCFDELN-UHFFFAOYSA-N	341.367	3.664	5	1	EHBF	
Nc1nc2oc3ccc(C4CCCCC4)cc3c(=O)c2cc1C(=O)O	1857774639	UAVIDUCFDBSNEX-UHFFFAOYSA-N	338.363	3.669	5	1	EHBF	
Oc1c/c(=N\C[C@H](O)c2ccccc2)oc2c1ccc1ccccc12	13676960	MVSXIKQVGYVGNV-QGWGWZPUSA-N	331.371	3.926	5	1	EHBF	
O=[N+]([O-])c1cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2cc1Cl	586896277	OFAMXJHBMNISJB-UHFFFAOYSA-N	329.743	3.910	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2c1	587081346	ZHRNYOLWSSMVBI-UHFFFAOYSA-N	327.731	3.523	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)cccc1[N+](=O)[O-])O2	587388880	HEDBWKLWWGNWIS-GOSISDBHSA-N	326.352	3.674	5	1	EHBF	
O=[N+]([O-])c1cc(O)ccc1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21	963118521	ZPGIYPIGFLQYCO-UGSOOPFHSA-N	328.343	3.549	5	1	EHBF	
O=[N+]([O-])c1cccc(CSc2nnc(Br)s2)c1	1857553612	UOMGKQDZJBTGSH-UHFFFAOYSA-N	332.204	3.501	5	1	EHBF	
C=Cc1c[nH]c(=O)c2c1cc(CCCN)c1ccc(-c3cn[nH]c3)cc12	28955983	SLWVDHMWBWEZEM-UHFFFAOYSA-N	344.418	3.606	5	1	EHBF	
NC(=O)c1c(F)c(Cl)c2nc3ccc(Cl)cc3c(O)c2c1F	58608251	JUKWASJURLEQFA-UHFFFAOYSA-N	343.116	3.778	5	1	EHBF	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2C)cc1	103186996	IZJJKPFCDYILFL-WOJGMQOQSA-N	349.346	3.604	5	1	EHBF	
N=c1[nH]ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c12	587272018	NFIBNUXGRVOAAK-UHFFFAOYSA-N	347.334	3.738	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3c([N+](=O)[O-])cccc13)O2	587391321	VEBZZGPYFAWQHP-INIZCTEOSA-N	337.335	3.673	5	1	EHBF	
O=[N+]([O-])c1ccn(CCCc2nc3cc(Cl)cc(Cl)c3[nH]2)n1	587273739	OMYYSOFZCMWJAA-UHFFFAOYSA-N	340.170	3.607	5	1	EHBF	
O=c1c2ccc(Cn3ccnc3)cc2oc2cc(OCC3CC3)ccc12	1857762290	JYSKWAQOYUVBMY-UHFFFAOYSA-N	346.386	3.980	5	1	EHBF	
O=[N+]([O-])c1cc(Br)cc2[nH]c(C(F)(F)C(F)F)nc12	147800383	FEAFDCCOZSWIFC-UHFFFAOYSA-N	342.046	3.591	5	1	EHBF	
CCOc1ccc(OCC)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1	587778750	RZZOSHPWEXXLFY-UHFFFAOYSA-N	327.340	3.936	5	1	EHBF	
Cc1c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cccc1[N+](=O)[O-]	587874438	AQYMBQNQSITHRH-UHFFFAOYSA-N	339.282	3.700	5	1	EHBF	
COCCNc1ccc(-c2nc3ccc(C)c(C)c3[nH]2)cc1[N+](=O)[O-]	587261518	CQMKMOOOQBLHNI-UHFFFAOYSA-N	340.383	3.813	5	1	EHBF	
CC(=O)Oc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)cc(OC(C)=O)c1	53313762	OJCQUPWXGXNOBI-ONEGZZNKSA-N	341.319	3.616	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12	587053004	YDDYGISOCKZRGC-UHFFFAOYSA-N	339.742	3.977	5	1	EHBF	
COCCNc1ccc(-c2nc3ccc(F)c(C)c3[nH]2)cc1[N+](=O)[O-]	587261701	GVBBVUDKYSGKGS-UHFFFAOYSA-N	344.346	3.644	5	1	EHBF	
Cc1nn(-c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c(C)c1Br	587643288	CRYLAWHGEFIMKR-UHFFFAOYSA-N	349.188	3.950	5	1	EHBF	
CCOc1ccc([N+](=O)[O-])cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	587388404	AZTNRYCASOGYSV-KRWDZBQOSA-N	342.351	3.591	5	1	EHBF	
O=C([C@@H]1O[C@H]1c1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2	5540254	DWOPRENAUBUKIB-FAVSCLIXSA-N	327.380	3.820	5	1	EHBF	
O=[N+]([O-])c1nccn1CCCCNc1ccnc2cc(Cl)ccc12	73196743	SUCKFISVIZEBOX-UHFFFAOYSA-N	345.790	3.885	5	1	EHBF	
C[C@H](COc1ccccc1)OC(=S)Nc1ccc([N+](=O)[O-])cc1	40895746	QHWNTOXUGKPRCN-GFCCVEGCSA-N	332.381	3.776	5	1	EHBF	
Cc1cc(N(C)Cc2nc3cccc(F)c3[nH]2)c([N+](=O)[O-])cc1F	587136706	JIMQWWNDHJFALI-UHFFFAOYSA-N	332.310	3.694	5	1	EHBF	
COc1ccc(C[C@@H](C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1OC	587927419	UKWZNDNGXDFLGF-LLVKDONJSA-N	341.367	3.835	5	1	EHBF	
COc1ccc(CCCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c(OC)c1	587929529	WCHMMGYGXSIYED-UHFFFAOYSA-N	341.367	3.664	5	1	EHBF	
COc1c(O)ccc2c(=O)c3ccc4c(c3n(C)c12)C=CC(C)(C)O4	2356725097	IRQVZEWKIGPRBZ-UHFFFAOYSA-N	337.375	3.590	5	1	EHBF	
Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1cccs1	12354042	JRQQNOLNICYJLG-KRWDZBQOSA-N	343.408	3.967	5	1	EHBF	
O=[N+]([O-])c1cc2[nH]c(-c3ccc(Br)o3)nc2cc1F	587008382	VLWGJYRQRDETFF-UHFFFAOYSA-N	326.081	3.633	5	1	EHBF	
COc1ccc(CC(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1OC	587279596	NBVDZZBBDYMTIR-UHFFFAOYSA-N	341.319	3.784	5	1	EHBF	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc3ncccc3c2[nH]1	587159758	XEMCKJCUSBONHQ-UHFFFAOYSA-N	338.298	3.737	5	1	EHBF	
O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccc([N+](=O)[O-])cc2)C1)CC4	587210456	CGYFZJZBMZEWPB-QGZVFWFLSA-N	344.370	3.889	5	1	EHBF	
COc1ccc2nc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)sc2c1	587034540	HCZTWOPZARGCQQ-UHFFFAOYSA-N	344.327	3.896	5	1	EHBF	
COc1cc(-c2nc3ccc(SC)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	587260897	LEAVHCSJAIPJJT-UHFFFAOYSA-N	345.380	3.877	5	1	EHBF	
CCCCOc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12	28771969	VSLUQQRKUWWNMX-UHFFFAOYSA-N	326.348	3.752	5	1	EHBF	
O=[N+]([O-])c1ccc(Nc2ccccc2Br)c2nonc12	95596113	CQCYYJGYLYKECV-UHFFFAOYSA-N	335.117	3.637	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c12	587174310	HBCNTYSWODSBKK-UHFFFAOYSA-N	331.694	3.807	5	1	EHBF	
CCN(CC)CCOc1ccc2c(=O)c3cc(F)c(F)cc3[nH]c2c1	1857548306	QAGFDTHNUGSWEN-UHFFFAOYSA-N	346.377	3.680	5	1	EHBF	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc([N+](=O)[O-])cc2[nH]1	586962468	FHJCWHYZWYESHW-GFCCVEGCSA-N	345.384	3.519	5	1	EHBF	
Cc1cc(NC(=O)Cc2ccccc2)nc2c1c(=O)oc1ccccc12	100711156	XFACYXIWQPCFKH-UHFFFAOYSA-N	344.370	3.831	5	3	EHBF	
O=C(O)c1ccc2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)nc2c1O	5933153	KWRMAQBKSXXWNB-LZCJLJQNSA-N	336.303	3.717	5	1	EHBF	
CC(C)c1cccc2cc3cccc(C(=O)NCCN(C)C)c3nc12	29556607	CYAKFRQDZUBCDE-UHFFFAOYSA-N	335.451	3.803	5	1	EHBF	
Cc1ccc(-c2nnc(SCc3ccccc3[N+](=O)[O-])o2)c(O)c1	84616647	DEWMMXPIIKTCAV-UHFFFAOYSA-N	343.364	3.951	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])c3cccnc13)O2	587389782	NEMYKZMOHRPKDN-KRWDZBQOSA-N	349.346	3.740	5	1	EHBF	
CC(C)c1nc2ccc(NCCN(C)C)c3c(=O)c4ccccc4n1c23	101361809	GGKGSLMQEISZNM-UHFFFAOYSA-N	348.450	3.536	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccncc1[N+](=O)[O-])CC2=O	587471507	SENADLHTRSDLHZ-GOSISDBHSA-N	342.351	3.529	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@H](c1cccc([N+](=O)[O-])c1)CC2=O	587473699	ZPROVEGXUUFHHD-KRWDZBQOSA-N	327.336	3.959	5	1	EHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1c([N+](=O)[O-])ccc(O)c1F	587645521	BTHJRDGTTOUEDP-UHFFFAOYSA-N	331.259	3.804	5	1	EHBF	
O=c1ccc2c3c(cc[n+]2Cc2c(F)cccc2F)c2ccccc2n13	653806350	UHYRVOVWUIYFKM-UHFFFAOYSA-N	347.344	3.658	5	1	EHBF	
O=C1Nc2ccc([N+](=O)[O-])cc2C1(c1ccccc1)c1ccccc1	29553007	XMILWOXSTAWIHI-UHFFFAOYSA-N	330.343	3.881	5	1	EHBF	
c1ccc2c(NCCN3CCOCC3)c3[nH]c4ccccc4c3nc2c1	13675777	LBANEDOFRZCTHP-UHFFFAOYSA-N	346.434	3.613	5	1	EHBF	
COc1nccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12	587266358	ZNZQWAOPBNTPMI-UHFFFAOYSA-N	336.307	3.802	5	1	EHBF	
O=[N+]([O-])c1cccc(CCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1	587270984	ZNXSPASAPZDBAK-UHFFFAOYSA-N	347.277	3.578	5	1	EHBF	
Cc1cc2c(cc1F)[C@@](C)(c1c[nH]c3ccc([N+](=O)[O-])cc13)NCC2	962147632	PYSDHUDOBPYZBG-IBGZPJMESA-N	339.370	3.933	5	1	EHBF	
O=[N+]([O-])c1ccc(-c2nnc3sc(C=Cc4ccccc4)nn23)cc1	2356814129	BXXXKMNWVANAHP-UHFFFAOYSA-N	349.375	3.931	5	1	EHBF	
COc1ccc(C2=CCN(C)C(=O)N2c2ccc([N+](=O)[O-])cc2)cc1	203463510	VGHGXNNXGYPYGS-UHFFFAOYSA-N	339.351	3.516	5	3	EHBF	
O=[N+]([O-])c1cncc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12	587060347	CAFLDFIXAULPCH-UHFFFAOYSA-N	341.714	3.842	5	1	EHBF	
CC(C)/C(=C\C(=O)n1nnc2ccccc21)c1ccc([N+](=O)[O-])cc1	1857749085	CSZCBHRRZIHNLZ-RVDMUPIBSA-N	336.351	3.719	5	1	EHBF	
O=[N+]([O-])c1ccc2nc(-n3nc4cc3Oc3ccc(F)cc3-4)[nH]c2c1	587876080	YMSXPPKQZSEJLC-UHFFFAOYSA-N	337.270	3.569	5	1	EHBF	
C[C@@](O)(c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F	587645322	PQRZCCXKYRAFQF-SNVBAGLBSA-N	342.195	3.865	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1Cl)O2	587375381	LTTCHGMMLVVYOD-HNNXBMFYSA-N	332.743	3.845	5	1	EHBF	
C[C@@H](O)CNCCNCc1ccc2ccc3cccc4ccc1c2c34	26486688	NHCAFNSSECYBON-OAHLLOKOSA-N	332.447	3.644	5	1	EHBF	
COc1cccc2c(OC)c3c(OC)cc(C=O)c(OC)c3cc12	14725199	AQBABLSDZCIXTP-UHFFFAOYSA-N	326.348	3.840	5	1	EHBF	biogenic
CC[C@@H](COc1cccc([N+](=O)[O-])c1)OC(=O)NCc1ccccc1	38275644	OAEJBIPRPARBKW-INIZCTEOSA-N	344.367	3.679	5	1	EHBF	
Cc1nc(N)nc(N)c1OCc1cccc2c1ccc1ccccc12	45195462	MJXOPABUHRRJIF-UHFFFAOYSA-N	330.391	3.835	5	1	EHBF	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1F	587139387	JBMYJVOUYZPVDU-UHFFFAOYSA-N	336.666	3.839	5	1	EHBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)cc(Cl)c2[nH]1	587275704	FXPNBQYKWINHOH-ZETCQYMHSA-N	340.170	3.778	5	1	EHBF	
COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O	587419217	KEHSZSNWNLDIQG-SUMWQHHRSA-N	345.738	3.746	5	1	EHBF	
CCCCCc1[nH]c2ccc([N+](=O)[O-])cc2c(=O)c1Br	1772614222	LSLZJLYAOZEZCZ-UHFFFAOYSA-N	339.189	3.932	5	1	EHBF	
Cc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1C	587091371	FBGPYJDVPHUXMK-UHFFFAOYSA-N	339.277	3.514	5	1	EHBF	
Cc1ccc(C)c2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc12	587093232	YUSFUKAUNOJDFA-UHFFFAOYSA-N	339.277	3.514	5	1	EHBF	
Cc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1[N+](=O)[O-]	587279956	WKXKJCDBPXLLCT-UHFFFAOYSA-N	326.264	3.789	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])cc3cccnc13)O2	587390927	SKXWJEXUZYIBEH-KRWDZBQOSA-N	349.346	3.740	5	1	EHBF	
COc1ccc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1OC	587928075	VWJMXVWOEJSLGW-UHFFFAOYSA-N	347.758	3.733	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cccnc3c1[N+](=O)[O-])O2	587391752	YGSQLEAEDRVSGH-MRXNPFEDSA-N	349.346	3.740	5	1	EHBF	
O=[N+]([O-])c1ccc(OCc2nc3ccc4ncccc4c3[nH]2)cc1F	587148243	FZGHJALFLYXAKJ-UHFFFAOYSA-N	338.298	3.737	5	1	EHBF	
Cc1cc(N(C)Cc2nc3cncc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F	587136105	BNWXGGODQGTPQI-UHFFFAOYSA-N	349.753	3.603	5	1	EHBF	
COc1ccc2c3ccc4c5c(cc6c4c3n(cc-2c1=N)CC6)OCO5	1857537093	IZRJBBDOPJUHDC-UHFFFAOYSA-N	344.370	3.672	5	1	EHBF	
O=c1ccc2cc3c([nH]c4ccc(Br)cc43)oc-2c1O	4272402	NKSLAYNUDADNIW-UHFFFAOYSA-N	330.137	3.847	5	3	EHBF	
CN(C)CC[C@@H]1C(=O)c2cccc3c(N)c4ccccc4c(c23)C1=O	49932136	DCIRJNXFRSTMKD-MRXNPFEDSA-N	332.403	3.522	5	1	EHBF	
CC(=O)N[C@@H](CC(=O)c1cc(C)sc1C)c1cccc([N+](=O)[O-])c1	72114270	BKEIZQZPKCPYCZ-INIZCTEOSA-N	346.408	3.723	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)cc1[N+](=O)[O-])O2	587378164	MONZTDUQFYHCIV-HNNXBMFYSA-N	332.743	3.845	5	1	EHBF	
CN(C/C=C/c1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCCO2	1857537615	NDXLKRRQZAJGDB-NSCUHMNNSA-N	340.379	3.511	5	1	EHBF	
COc1ccc2c(c1)c(NCCCCN)c1c3ccccc3nc-1n2C	103005752	UHDIFVJJENNBGX-UHFFFAOYSA-N	348.450	3.991	5	1	EHBF	
CC(=O)Nc1ccc(Cl)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1	587050939	SKOLMGIRDBGUTB-UHFFFAOYSA-N	330.731	3.750	5	1	EHBF	
Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587068087	YHASLFJPFLEUOQ-SECBINFHSA-N	332.747	3.968	5	1	EHBF	
O=C(O)c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1	587140299	YAERARGMAHPSTI-UHFFFAOYSA-N	335.678	3.629	5	1	EHBF	
Nc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c2ccccc2c1	587252037	QSJCNBIWGITBAG-UHFFFAOYSA-N	349.306	3.782	5	1	EHBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(C)c(F)cc3[nH]2)c1	587262758	XHYPMTKLVKKGQE-UHFFFAOYSA-N	329.331	3.849	5	1	EHBF	
O=[N+]([O-])c1cccc(CCc2nc3cc(C(F)(F)F)ncc3[nH]2)c1	587269756	GDAXYJYSLIVKAL-UHFFFAOYSA-N	336.273	3.670	5	1	EHBF	
O=C(c1cc([N+](=O)[O-])ccc1F)c1coc2cc([N+](=O)[O-])ccc12	587279828	CIVQKBDNIQUTOI-UHFFFAOYSA-N	330.227	3.619	5	1	EHBF	
O=[N+]([O-])c1cc2nc(C3(c4ccccc4O)CC3)[nH]c2cc1Cl	586896671	HXPJOPRVLDNFKP-UHFFFAOYSA-N	329.743	3.910	5	1	EHBF	
Cc1ccc2c(ccc3nc([C@@H](N)Cc4ccc([N+](=O)[O-])cc4)[nH]c32)n1	587269556	FGLWEOLVMOTPQT-HNNXBMFYSA-N	347.378	3.570	5	1	EHBF	
O=[N+]([O-])c1cccnc1Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1	3793344	QGSFFVWTEIOHEG-CYBMUJFWSA-N	337.383	3.509	5	1	EHBF	
COCCNc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1[N+](=O)[O-]	587261699	GTTUJMBRQPHHKR-UHFFFAOYSA-N	340.383	3.813	5	1	EHBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc3ccccc3cc2[nH]1	587268445	YJWIAGGWEWOZPE-UHFFFAOYSA-N	335.367	3.993	5	1	EHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1cccc([N+](=O)[O-])c1	587648080	ZYSJEPBRWZXCJQ-UHFFFAOYSA-N	340.295	3.545	5	1	EHBF	
CN(C)CCNC(=O)c1cccc2cc3cc(C(C)(C)C)ccc3nc12	29563086	DWWSXPQZQZQRFM-UHFFFAOYSA-N	349.478	3.977	5	1	EHBF	
O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(CO)cc4[nH]3)c2)c1	587270233	KRDGUMMMTOAZDM-UHFFFAOYSA-N	346.346	3.692	5	1	EHBF	
O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2CC[C@H]3O2)c2ccccc12	169727209	MQRBVUDXEAGBPG-ZIAGYGMSSA-N	338.319	3.856	5	1	EHBF	
O=C(O)/C=C\c1ccccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586882511	WMDRLNRWFMEOLB-WAYWQWQTSA-N	343.726	3.889	5	1	EHBF	
CN(C)[C@@H]1CCc2ccccc2[C@H](Oc2ccc([N+](=O)[O-])cc2)C1	1841589	ASNYPHGOFQAGQM-VQIMIIECSA-N	326.396	3.981	5	1	EHBF	
Cc1oc(-c2nc3ncc(Br)c(C)c3[nH]2)cc1[N+](=O)[O-]	587269263	UUMIZNBOMALVCN-UHFFFAOYSA-N	337.133	3.505	5	1	EHBF	
COc1ccc(-n2cc([N+](=O)[O-])c(=O)c3ccc(Cl)cc32)cc1	978696	FEXBGEYROCETNI-UHFFFAOYSA-N	330.727	3.561	5	3	EHBF	
O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)[C@@H](O)[C@H](O)C=C4	27876520	WDHBKPKURFBUFF-YLJYHZDGSA-N	331.327	3.913	5	1	EHBF	
CN1CCCN(c2c3c4ccccc4nc-3n(C)c3ccccc23)CC1	102995238	NMIBYIDEAZDTFA-UHFFFAOYSA-N	344.462	3.973	5	1	EHBF	
CCCOC(=O)c1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1F	40955789	XASWWZPXWKLACG-UHFFFAOYSA-N	346.314	3.553	5	1	EHBF	
O=[N+]([O-])c1ccc(O[C@@H](Cn2ccnc2)c2ccccc2)c(F)c1	49808655	TWHAUCTUEVXNJB-KRWDZBQOSA-N	327.315	3.751	5	1	EHBF	
CCOC(=O)c1c(Cc2cccc(F)c2)[nH]c2cc([N+](=O)[O-])ccc12	587645923	OUNFOALPRJUWDF-UHFFFAOYSA-N	342.326	3.983	5	1	EHBF	
Cn1cc2c(ccc3ncc4c(O)n(-c5ccc(Cl)cc5)nc4c32)n1	26580236	ZPBQULSRFBGERY-UHFFFAOYSA-N	349.781	3.819	5	1	EHBF	
COc1ccc(/C=C/c2cc(OC)c3c(c2)OCO3)cc1[N+](=O)[O-]	95554619	IMOUFFWLCQQZJG-ONEGZZNKSA-N	329.308	3.511	5	1	EHBF	
COc1cc2oc3cc(O)cc(O)c3c(=O)c2c(CC=C(C)C)c1O	214489003	SLTXVTFAQYYRPN-UHFFFAOYSA-N	342.347	3.580	5	1	EHBF	
COc1cc(O)c2c(=O)c3c(O)ccc(O)c3oc2c1CC=C(C)C	238783379	DIIQTGSURWGCOZ-UHFFFAOYSA-N	342.347	3.580	5	1	EHBF	
N=c1oc2ccc3ccccc3c2cc1-c1nc2ccccc2c(=O)[nH]1	6576429	XQGKOSUVQGKETE-UHFFFAOYSA-N	339.354	3.969	5	1	EHBF	
O=[N+]([O-])c1cccc(CCc2nc3cc(C(F)(F)F)cnc3[nH]2)c1	587269484	DRLUUYJCFBTTSZ-UHFFFAOYSA-N	336.273	3.670	5	1	EHBF	
Cc1ccc2oc(-c3cccc([N+](=O)[O-])c3)cc(=O)c2c1[N+](=O)[O-]	13801440	FQVQBBCROVBHGL-UHFFFAOYSA-N	326.264	3.585	5	1	EHBF	
CN(C)CCCNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12	28979835	GPTCEQVUJFESHT-UHFFFAOYSA-O	333.459	3.662	5	1	EHBF	
O=[N+]([O-])c1ccc(Nc2nccc(-c3cccc([N+](=O)[O-])c3)n2)cc1	40918435	FDVRZMRAZJTLEK-UHFFFAOYSA-N	337.295	3.704	5	1	EHBF	
N=C(N)c1ccc(OCCCCCOc2cccc([N+](=O)[O-])c2)cc1	169318678	ARTYOKRXOPQAPY-UHFFFAOYSA-N	343.383	3.507	5	1	EHBF	
COc1cncc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12	587047327	GLSICYJPRQPXPJ-HYXAFXHYSA-N	330.731	3.699	5	1	EHBF	
Cc1nc2c(s1)-c1nc(Nc3ccc([N+](=O)[O-])cc3)ncc1CC2	45368867	QSFSXNZWOUTZCW-UHFFFAOYSA-N	339.380	3.659	5	1	EHBF	
N[C@@H](c1ccsc1)c1nc2c3cccnc3c3ncccc3c2[nH]1	587027574	SBPJHLINYBWFDZ-ZDUSSCGKSA-N	331.404	3.769	5	1	EHBF	
O=C(O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1	587047519	JVQXKCNDKRXJMH-QHHAFSJGSA-N	343.726	3.993	5	1	EHBF	
COC(=O)Nc1ccc(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)cc1	587243279	IENLUKREYIJYEF-UHFFFAOYSA-N	326.312	3.625	5	1	EHBF	
O=C(c1cccnc1)n1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21	40406893	RMSVWXNGDMGXSL-UHFFFAOYSA-N	344.330	3.695	5	1	EHBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(F)c2[nH]1	587265121	MZYMAIGZUYVRLF-QMMMGPOBSA-N	345.290	3.692	5	1	EHBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(F)cc2[nH]1	587266240	XQNRSARCYGOOTA-QMMMGPOBSA-N	345.290	3.692	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1Cl)O2	587377314	WHYKHHKFUUVZFL-HNNXBMFYSA-N	332.743	3.845	5	1	EHBF	
O=[N+]([O-])c1cccc(NC(=S)Nc2nc3c(s2)CCCC3)c1	13933889	GMVRHPJQOAWBSE-UHFFFAOYSA-N	334.426	3.739	5	1	EHBF	
O=C(OCc1ccccc1)c1coc(-c2ccc([N+](=O)[O-])c(F)c2)n1	49088295	LQAOGONRHSUWCO-UHFFFAOYSA-N	342.282	3.746	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3[nH]c4ccc(F)cc4c3Cl)nc2c1	587175490	UTULAEFLYHIFCT-UHFFFAOYSA-N	331.694	3.807	5	1	EHBF	
O=[N+]([O-])c1cc(-c2nc3ccc(Cl)cc3[nH]2)nn1CC(F)(F)F	587091545	GHVSLSQICUIVLQ-UHFFFAOYSA-N	345.668	3.550	5	1	EHBF	
CCOc1cc(-c2cccc(F)c2)nn1-c1cccc([N+](=O)[O-])c1	587871487	ITXUYUCYACBXQZ-UHFFFAOYSA-N	327.315	3.985	5	1	EHBF	
Cn1c2cc(=N)ccc-2c2ccc(N)cc2c1-c1cccc(C(=O)O)c1	377553955	NMONWIBBWZSUNX-UHFFFAOYSA-N	343.386	3.710	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Cl	587173517	CQQBBWFCIHMMCC-CQSZACIVSA-N	333.706	3.940	5	1	EHBF	
COC(=O)Cc1ccccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587783021	CJVKVUHTUPMBHY-UHFFFAOYSA-N	345.742	3.507	5	1	EHBF	
COCCNc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-]	587261994	LGCDEWVXCDHGSG-UHFFFAOYSA-N	346.774	3.850	5	1	EHBF	
CC(C)/C(=C/C(=O)n1nnc2ccccc21)c1ccc([N+](=O)[O-])cc1	1857644240	CSZCBHRRZIHNLZ-PTNGSMBKSA-N	336.351	3.719	5	1	EHBF	
Cc1nn(-c2cc(OC(C)C)c(Cl)cc2F)c(C)c1[N+](=O)[O-]	34187752	BTAFBXPRXWCTND-UHFFFAOYSA-N	327.743	3.977	5	1	EHBF	
Cc1cc2[nH]c([C@@H](N)Cc3ccccc3Cl)nc2cc1[N+](=O)[O-]	587059118	NRFHPLDZALJYBE-LBPRGKRZSA-N	330.775	3.675	5	1	EHBF	
O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc([N+](=O)[O-])c(Cl)cc4[nH]1)(C3)C2	587969608	QOPPYVALTXRSNR-JIIRDLKHSA-N	345.786	3.771	5	1	EHBF	
O=[N+]([O-])c1cc(C(F)(F)F)cc2cc(Br)c(O)nc12	1857601650	APZJNPYZZFPAOJ-UHFFFAOYSA-N	337.051	3.630	5	1	EHBF	
CCOc1cc2c(cc1/C=C/c1noc(C)c1[N+](=O)[O-])O[C@H](C)C2	8038771	SHFPTXBEYRTWIM-BRAIEQGRSA-N	330.340	3.784	5	3	EHBF	
O=[N+]([O-])c1cnc2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2c1	587068827	ZRDKEXQRNSOYGQ-UHFFFAOYSA-N	340.730	3.577	5	1	EHBF	
COc1ccc(C[C@H](C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1OC	587927421	UKWZNDNGXDFLGF-NSHDSACASA-N	341.367	3.835	5	1	EHBF	
O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc(F)cc1F	211418	PEEPKXRBTVIQPH-UHFFFAOYSA-N	335.309	3.782	5	1	EHBF	
CCCCc1cn(-c2ccc(CC[N+]3(C)CCCCC3)cc2)nn1	103275275	YZRUYXRDUBHRDA-UHFFFAOYSA-N	327.496	3.783	5	1	EHBF	
CCCCCCN1CCC(CNCc2cccc([N+](=O)[O-])c2)CC1	45166993	YTQBBNHFNZEZLB-UHFFFAOYSA-N	333.476	3.977	5	1	EHBF	
C/C=C1/C[N+]2(C)CCc3c([nH]c4ccc(OC)cc34)[C@@H]2C[C@@H]1CCO	157515070	QNSAJLWBAFIKQV-XLSIWZLYSA-N	341.475	3.569	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12	587242500	NIDRCRFCHOFFOS-UHFFFAOYSA-N	347.334	3.982	5	1	EHBF	
CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cn1	587245083	NOPFBCZXWUKWJI-UHFFFAOYSA-N	339.355	3.518	5	1	EHBF	
Cc1cc2[nH]c([C@@H](CN)Cc3ccc(Cl)cc3)nc2cc1[N+](=O)[O-]	587070809	UJVLKPGZLRLNMO-GFCCVEGCSA-N	344.802	3.718	5	1	EHBF	
C[C@@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)n1cc(Cl)cn1	587079809	ODMKOYMXINDTPO-LURJTMIESA-N	326.143	3.584	5	1	EHBF	
CCOc1cc(-c2cccc(F)c2)nn1-c1ccc([N+](=O)[O-])cc1	587871415	GUCNHYCAIMIGNZ-UHFFFAOYSA-N	327.315	3.985	5	1	EHBF	
O=[N+]([O-])c1ccc(OCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1F	587148242	FXGSVDHNPCVHJD-UHFFFAOYSA-N	341.220	3.607	5	1	EHBF	
COc1cc2c3c(c1)O[C@@](C)(c1cc(C)ccc1[N+](=O)[O-])[C@@H](C2)C3=O	587431255	DBDVPDBELPJSHB-LIRRHRJNSA-N	339.347	3.575	5	1	EHBF	
O=[N+]([O-])c1cc(O)ccc1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21	963118511	ZPGIYPIGFLQYCO-FZKQIMNGSA-N	328.343	3.549	5	1	EHBF	
O=C(O)Cc1c(-c2ccc(F)c(F)c2)[nH]c2cccc([N+](=O)[O-])c12	587646138	UUBVEUWDGOLLRA-UHFFFAOYSA-N	332.262	3.648	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1Cl	586902250	KIGAKIIXFYPMAS-MEBBXXQBSA-N	329.743	3.694	5	1	EHBF	
O=C(CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccc(F)cc1	587164045	XXGUYLUIODGNRQ-UHFFFAOYSA-N	331.278	3.565	5	1	EHBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(C(C)(C)C)cc2[nH]1	587267307	IGGOAWIFUUXGMZ-NSHDSACASA-N	327.388	3.883	5	1	EHBF	
O=[N+]([O-])c1ccc(OCc2nc3cc(Cl)c(F)cc3[nH]2)cc1F	587148170	DMIITYFVWVJXMX-UHFFFAOYSA-N	339.685	3.982	5	1	EHBF	
O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1	587160548	VXLCKOMYWPRSBD-UHFFFAOYSA-N	327.102	3.979	5	1	EHBF	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Cl)cc(F)c2[nH]1	587269909	UAJHLOOVWGCTLM-UHFFFAOYSA-N	349.705	3.655	5	1	EHBF	
COc1cccc([C@@H](C)Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1	587929990	DYRLIXHJBBMUNH-JTQLQIEISA-N	329.331	3.965	5	1	EHBF	
COc1ccc2nc(NCCCN)c3c4ccccc4n(C)c3c2c1	169309497	FKCBUZFMFUCPQO-UHFFFAOYSA-N	334.423	3.649	5	1	EHBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587423889	WVRXTEJUQATJDM-GTNSWQLSSA-N	345.738	3.746	5	1	EHBF	
Cc1cc2[nH]c([C@H](c3ccc(F)cc3)N(C)C)nc2cc1[N+](=O)[O-]	587163192	IDWYPLHSQWNQAC-INIZCTEOSA-N	328.347	3.570	5	1	EHBF	
Cc1ccc(C)c2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12	587263828	GBAMRBOIQURZGK-UHFFFAOYSA-N	326.312	3.587	5	1	EHBF	
CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587164111	QZUUILPJNFFLGW-HNNXBMFYSA-N	348.765	3.915	5	1	EHBF	
O=[N+]([O-])c1ccc(Cc2nc3cnc4ccccc4c3[nH]2)c([N+](=O)[O-])c1	587263776	DOIIDOROUOVTTK-UHFFFAOYSA-N	349.306	3.518	5	1	EHBF	
O=c1c2cccc3c2c(nn1-c1ccccc1[N+](=O)[O-])-c1ccccc1-3	27523000	ZEKUHZUJOVLLKL-UHFFFAOYSA-N	341.326	3.941	5	1	EHBF	
COc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1OC	587279481	JJSOMWMQJCYLOP-UHFFFAOYSA-N	327.292	3.589	5	1	EHBF	
O=[N+]([O-])c1cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2cc1[N+](=O)[O-]	587959996	JSMSRVGUPUJDSE-RYUDHWBXSA-N	338.323	3.726	5	1	EHBF	
Cn1c2ccccc2[n+]2nc3c(cc12)c1cccnc1c1ncccc31	386989	MWCZRRSNHJFRNO-UHFFFAOYSA-N	336.378	3.562	5	1	EHBF	
O=C(c1cccc(C(F)(F)F)n1)c1coc2cc([N+](=O)[O-])ccc12	587280364	UYNXEDMEDQBYQP-UHFFFAOYSA-N	336.225	3.986	5	1	EHBF	
COc1cc(C)c(N)c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1	587249509	MUCQYIRHBXQWBX-UHFFFAOYSA-N	332.747	3.691	5	1	EHBF	
COCCOc1ccc(-c2nc3ccc(F)c(C)c3[nH]2)cc1[N+](=O)[O-]	587265341	OZRLNGZXNOLPGW-UHFFFAOYSA-N	345.330	3.611	5	1	EHBF	
COc1cc2c3c(c1)O[C@H](c1cccc([N+](=O)[O-])c1Cl)[C@@H](C2)C3=O	587417610	CZGYODBOCMAPHA-APPDUMDISA-N	345.738	3.746	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3cccc(-c4ccccc4CO)c3)nc2c1	586895207	UWRHQRRRSCNDMV-UHFFFAOYSA-N	346.346	3.692	5	1	EHBF	
O=[N+]([O-])c1cc(NC(=S)OCCc2ccccn2)ccc1Cl	40894427	YMPWLFAGAIVJJC-UHFFFAOYSA-N	337.788	3.599	5	1	EHBF	
O=C(c1ccc([N+](=O)[O-])c(F)c1)c1coc2cc([N+](=O)[O-])ccc12	587280137	KQSZPCZUXIHODH-UHFFFAOYSA-N	330.227	3.619	5	1	EHBF	
COc1ccccc1CC(=O)c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1	587928938	FCNRMGDCJBTVTJ-UHFFFAOYSA-N	345.742	3.559	5	1	EHBF	
COc1c(CC=C(C)C)cc(O)c2oc3cc(O)cc(O)c3c(=O)c12	14763092	ARHRDQTXRXQWDE-UHFFFAOYSA-N	342.347	3.580	5	1	EHBF	biogenic,in-vitro
O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)C=C[C@@H](O)[C@H]4O	27872921	DDTKLIBTCCSFGT-OXQOHEQNSA-N	331.327	3.913	5	1	EHBF	
O=[N+]([O-])c1cccc(-c2ccc([C@@H]3NCCc4ccc(O)cc43)o2)c1	963341092	KBCITKFDVQIKPE-LJQANCHMSA-N	336.347	3.796	5	1	EHBF	
O[C@H]1c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@H]2O[C@@H]2[C@H]1O	102842451	LBOOERJKINPNNR-FNAHDJPLSA-N	328.367	3.994	5	1	EHBF	
C[C@]1(c2ncccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3	587512937	PXUXJEBVVIUOJW-LJQANCHMSA-N	338.363	3.749	5	1	EHBF	
Cc1oc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)cc1[N+](=O)[O-]	587269192	SOZWCPLGECVUOA-UHFFFAOYSA-N	349.350	3.871	5	1	EHBF	
CC[C@H]1C[N+]2(c3ccnc4ccc(O[C@H](C)CO)cc34)CCC1CC2	169338027	XWILDVMVRIRIDF-PDGDHHFCSA-N	341.475	3.752	5	1	EHBF	
CCc1ccc2nc(-c3ccc(OCCOC)c([N+](=O)[O-])c3)[nH]c2c1	587266455	YACMUPCTTCIORC-UHFFFAOYSA-N	341.367	3.726	5	1	EHBF	
NCCCCNCCCNCc1c2ccccc2cc2ccccc12	13522101	MFXDHZLUEDOFRY-UHFFFAOYSA-N	335.495	3.801	5	1	EHBF	
Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)C[C@@H]1CCCN2CCCC[C@H]12	35090978	ZDGAQBFRLOVSLH-DOTOQJQBSA-N	345.443	3.805	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12	587131506	LHBPDMPRAOLAJF-UHFFFAOYSA-N	330.294	3.748	5	1	EHBF	
COCCNc1ccc(-c2nc3cc(C)c(F)cc3[nH]2)cc1[N+](=O)[O-]	587261725	HENMJJAUERISEQ-UHFFFAOYSA-N	344.346	3.644	5	1	EHBF	
O=[N+]([O-])c1cccc(CCc2nc3c(Cl)c(Cl)cnc3[nH]2)c1	587269411	CEXDIIMHSIMFSU-UHFFFAOYSA-N	337.166	3.958	5	1	EHBF	
O=C1NC(=O)c2c1c1c3ccncc3ccc1c1[nH]c3ccccc3c21	1492370	ZNSRFRSFSVBWDG-UHFFFAOYSA-N	337.338	3.906	5	1	EHBF	
COc1cc(Cn2cc(C[N+](C)(C)C)c3ccccc32)ccc1O	103300506	DGVVINXXDMRKLQ-UHFFFAOYSA-O	325.432	3.610	5	1	EHBF	
O=[N+]([O-])c1cc2nc(CCc3ccccc3Cl)[nH]c2cc1[N+](=O)[O-]	587059416	RXEOOSFFONXDPJ-UHFFFAOYSA-N	346.730	3.818	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@H](c1ccccc1[N+](=O)[O-])CC2=O	587473254	RQYPLSZUHPBVDP-KRWDZBQOSA-N	327.336	3.959	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc([N+](=O)[O-])c1C)O2	587391720	XPHXZZNVALMZAA-SFHVURJKSA-N	326.352	3.674	5	1	EHBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc3ccccc3cc2[nH]1	587265512	VKCHMRZQOUVVGE-AWEZNQCLSA-N	348.362	3.572	5	1	EHBF	
O=C1C[C@H](c2cc(O)cc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1	587510942	CJWMDXLDOIIZNO-GOSISDBHSA-N	339.347	3.886	5	1	EHBF	
O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12	587966429	FMNBMQRELPIROO-QXFUBDJGSA-N	334.173	3.913	5	1	EHBF	
CN(C)COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)on2)cc1	28381855	RJKHCJDCEVYADR-UHFFFAOYSA-N	339.351	3.815	5	1	EHBF	
O=[N+]([O-])c1cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2cc1F	586898155	MQHUDPAAERQSBN-UHFFFAOYSA-N	327.315	3.862	5	1	EHBF	
O=[N+]([O-])c1cc(/C=C\c2nc3cnc(Cl)[nH]c-3n2)ccc1Cl	587047757	MENZXGGGLVPDBN-RQOWECAXSA-N	336.138	3.690	5	1	EHBF	
COc1cccc(N2CC=C(c3cccc([N+](=O)[O-])c3)N(C)C2=O)c1	299856233	CKTVXBCLUIRGRF-UHFFFAOYSA-N	339.351	3.516	5	1	EHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc([N+](=O)[O-])cc1	587646892	AKNVPHMDISECTD-UHFFFAOYSA-N	325.280	3.524	5	1	EHBF	
COCCN1C(=O)c2cc(OC)c(OC)c3c2c1cc1ccccc13	40878367	NQSZYZBSHBVVKU-UHFFFAOYSA-N	337.375	3.617	5	1	EHBF	
O=C(c1cc(Cl)nc(Cl)n1)c1coc2cc([N+](=O)[O-])ccc12	587279993	GBMQYEWIOBOOIZ-UHFFFAOYSA-N	338.106	3.669	5	1	EHBF	
COc1ccc(-c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c([N+](=O)[O-])c1	587646860	AATXACVOFHYOHS-UHFFFAOYSA-N	327.296	3.968	5	1	EHBF	
O=C(O)c1ccccc1/C=C/c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586881707	IAJVWKYWRZJBOM-AATRIKPKSA-N	343.726	3.993	5	1	EHBF	
O=C(CN1C=C[C](Cc2ccccc2)C=C1)c1ccc([N+](=O)[O-])cc1	2356824329	MYZNUTHVRFXAKV-UHFFFAOYSA-N	333.367	3.938	5	1	EHBF	
C[C@]1(c2ccncc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3	587512240	MJZFKPWSHYZJGY-LJQANCHMSA-N	338.363	3.749	5	1	EHBF	
C[C@]12C[C@@H]1C(c1cccc([N+](=O)[O-])c1)(c1cccc([N+](=O)[O-])c1)N=N2	102941238	BMUYEZQNLCZIIN-HOTGVXAUSA-N	338.323	3.991	5	1	EHBF	
COc1ccc(Cn2cc(C[N+](C)(C)C)c3ccccc32)cc1O	103300504	IFIRXTBQAXAKLO-UHFFFAOYSA-O	325.432	3.610	5	1	EHBF	
OCc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1	586895385	GHHAOHFRGRDUOZ-UHFFFAOYSA-N	326.359	3.819	5	1	EHBF	
O=[N+]([O-])c1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1F	587138005	BJUCNHXYCJRTCL-UHFFFAOYSA-N	339.248	3.813	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3ccc([N+](=O)[O-])cc31)O2	587388606	DPFKLNUDUBCPNT-IBGZPJMESA-N	338.363	3.682	5	1	EHBF	
O=C1C[C@@H](c2ccc([N+](=O)[O-])c(O)c2)Oc2c1ccc1c2CCCC1	587507092	AERKPDZSKMTIKR-SFHVURJKSA-N	339.347	3.886	5	1	EHBF	
CCSC[C@H](O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1	28820527	GNPUMCJXJKIALL-LBPRGKRZSA-N	334.319	3.881	5	1	EHBF	
O[C@@H]1c2ccc3c4ccccc4c4ccccc4c3c2[C@H]2O[C@@H]2[C@@H]1O	102842438	GZHHSQMUVHHNOY-GXRSIYKFSA-N	328.367	3.994	5	1	EHBF	
Cc1cc(Cl)cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12	587264525	NHWXNRDVGFTWPQ-UHFFFAOYSA-N	346.730	3.932	5	1	EHBF	
C[C@H]1C(=O)CC[C@@H]1Cc1nc2c3cccnc3c3ncccc3c2[nH]1	587963245	LXCVLWFDMKLLAK-VXGBXAGGSA-N	330.391	3.817	5	1	EHBF	
Cc1oc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1[N+](=O)[O-]	587269615	WDXAYCXHKGMGAI-UHFFFAOYSA-N	340.108	3.941	5	1	EHBF	
CCOc1ccccc1OCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1	587780776	IJCRZGHVJAZLBN-UHFFFAOYSA-N	327.340	3.757	5	1	EHBF	
CCOc1ccc(C(=O)CN2C=C(CC)C=C[C]2C)cc1[N+](=O)[O-]	2356864131	BLNWDGSBDVMHDO-UHFFFAOYSA-N	329.376	3.894	5	1	EHBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(C)(C)C)nc2[nH]1	587268185	NGOGFYKBVOCGLS-UHFFFAOYSA-N	342.403	3.532	5	1	EHBF	
O=c1c2ccccc2n(Cc2ccc([N+](=O)[O-])cc2)c2cccc(O)c12	64560295	JVRZUZPECGTGDU-UHFFFAOYSA-N	346.342	3.817	5	1	EHBF	
O=[N+]([O-])c1cc(Nc2ncnc3c2sc2ncccc23)ccc1O	95573009	PCHBNTHBCBOGKF-UHFFFAOYSA-N	339.336	3.597	5	1	EHBF	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cccc(Cl)c2[nH]1	587269839	RIKBEXKVZNZRPX-UHFFFAOYSA-N	331.715	3.516	5	1	EHBF	
C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O	1857764126	JBAVFVKIGRGNEF-SNVBAGLBSA-N	326.308	3.580	5	1	EHBF	
O=[N+]([O-])c1ccc(C2=NC(=S)N[C@@H](c3ccc(F)cc3)C2)cc1	103165060	WLAIVSCAYFVLRC-CQSZACIVSA-N	329.356	3.543	5	1	EHBF	
COc1cc(-c2nc3cc(C)cc(F)c3[nH]2)c(OC)c([N+](=O)[O-])c1	587261116	UQBVYXYTCXMFCD-UHFFFAOYSA-N	331.303	3.603	5	1	EHBF	
C[C@@]12C[C@@H]1C(c1cccc([N+](=O)[O-])c1)(c1cccc([N+](=O)[O-])c1)N=N2	5922257	BMUYEZQNLCZIIN-JKSUJKDBSA-N	338.323	3.991	5	1	EHBF	
O=C(NC1CCCC1)c1ccc2nc3[nH]c4ccccc4c3nc2c1	6757451	DEUVTABQEOKYPO-UHFFFAOYSA-N	330.391	3.937	5	1	EHBF	
Cc1cc2[nH]c(/C=C\C(=O)Nc3ccc(F)cc3)nc2cc1[N+](=O)[O-]	587166692	GHGPFOXBLAJCJS-SREVYHEPSA-N	340.314	3.571	5	1	EHBF	
C[C@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)n1cc(Cl)cn1	587079810	ODMKOYMXINDTPO-ZCFIWIBFSA-N	326.143	3.584	5	1	EHBF	
O=C1C[C@H](c2ccc([N+](=O)[O-])c(O)c2)Oc2c1ccc1c2CCCC1	587507091	AERKPDZSKMTIKR-GOSISDBHSA-N	339.347	3.886	5	1	EHBF	
O=[N+]([O-])c1cncc2[nH]c(-c3ccc(-c4nccs4)s3)nc12	587023503	DWDBSMGDVFVGJU-UHFFFAOYSA-N	329.366	3.718	5	1	EHBF	
COc1cc2oc3cc(O)ccc3c(=O)c2c(O)c1CC=C(C)C	14819748	QKSNMZWDGXOPMT-UHFFFAOYSA-N	326.348	3.875	5	1	EHBF	endogenous,in-man
COc1ccc2c(c1)oc1c3c(OC)cc(OC)cc3oc(=O)c21	14778652	ZBFNXLHCXOLFGW-UHFFFAOYSA-N	326.304	3.718	5	1	EHBF	biogenic
COc1ccc(/C=C/Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c(OC)c1	587929633	OFNLZBROQJNTGU-HWKANZROSA-N	339.351	3.744	5	1	EHBF	
C[C@H](O)[C@](C)(CO)NCc1ccc2ccc3cccc4ccc1c2c34	26468006	XUHAATDMBCODLR-FPTDNZKUSA-N	333.431	3.805	5	1	EHBF	
CC[N@@+]1(C)CCC[C@H](OCC(O)(c2ccccc2)c2ccccc2)C1	299818107	BHFHFYHGVIXFLC-GMAHTHKFSA-N	340.487	3.568	5	1	EHBF	
N[C@@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1cccc2ccccc12	587258551	NEHIKNNPJOTNLJ-HNNXBMFYSA-N	332.363	3.867	5	1	EHBF	
Cc1cc(Cl)cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12	587269496	PBEOABKEAXFCIH-UHFFFAOYSA-N	345.742	3.824	5	1	EHBF	
CCCc1cc(=O)c2c(OC)c3c(OC)cc(OC)cc3cc2o1	28974898	UGLFZOMBQKIDLY-UHFFFAOYSA-N	328.364	3.925	5	1	EHBF	biogenic
O=C(O)c1cn(C2CC2)c2sc3c4ccc(F)cc4[nH]c3c2c1=O	71318431	ZXJDMVLPGLNCDA-UHFFFAOYSA-N	342.351	3.870	5	1	EHBF	
O=C1C[C@H]2c3ccc4ccccc4c3O[C@@H]2N1c1ccc([N+](=O)[O-])cc1	98085256	WKMBACBNMFMYOD-PXNSSMCTSA-N	346.342	3.987	5	1	EHBF	
N[C@H](c1ccsc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1	587028689	YZPYJQABUPTOCE-QGZVFWFLSA-N	331.404	3.769	5	1	EHBF	
Cn1c2ccccc2c2nn(CCO)c3cc4c(c1c23)C=CC(C)(C)O4	26577295	TXNWERKKVIKYJO-UHFFFAOYSA-N	347.418	3.858	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12	587081223	YCLADIOSONXKLE-UHFFFAOYSA-N	327.731	3.523	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@@H](Cc1ccc([N+](=O)[O-])cc1)CC2=O	587468785	BBAUIGSGBFVLBY-AWEZNQCLSA-N	341.363	3.829	5	1	EHBF	
CCO[P@@](=O)(NC1CCCC1)Oc1ccc(C)cc1[N+](=O)[O-]	72123032	CXAGWMSAAPUNBH-QFIPXVFZSA-N	328.305	3.959	5	1	EHBF	
O=c1ccc2cc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)ccc2o1	586916704	VZYSBQCIODMNMB-UHFFFAOYSA-N	341.710	3.898	5	1	EHBF	
CCOC(=O)Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2c1	587260864	JQZGLOSPVWWAQY-UHFFFAOYSA-N	339.351	3.552	5	1	EHBF	
COc1ccc(Cl)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n1	587280552	ZTUWGHCRGOZAOW-UHFFFAOYSA-N	332.699	3.629	5	1	EHBF	
CCOC(=O)Cc1[nH]c2cccc(F)c2c1-c1ccccc1[N+](=O)[O-]	587635009	COJNKXXSYLDGHP-UHFFFAOYSA-N	342.326	3.988	5	1	EHBF	
CC(C)(CC(=O)O)Cc1nc2c3cccnc3c3ncccc3c2[nH]1	587955124	GAKORKNHUPGLLT-UHFFFAOYSA-N	334.379	3.703	5	1	EHBF	
O=[N+]([O-])c1cc(/C=C/c2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1Cl	587051215	YXIVYLCVMCPGDK-DUXPYHPUSA-N	345.702	3.598	5	1	EHBF	
O=c1c2ccc(O)cc2oc2cc(OCCCN3CCCC3)ccc12	71316391	FXUVICBABAPEGP-UHFFFAOYSA-N	339.391	3.517	5	1	EHBF	
COc1cc2c3c(c1)O[C@](C)(c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587433044	MJXLISOLUQMMKF-IFXJQAMLSA-N	339.347	3.575	5	1	EHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc([N+](=O)[O-])cc1	587647871	SJOXYMJDNFVUGN-UHFFFAOYSA-N	325.280	3.524	5	1	EHBF	
Cc1csc(-c2ccnc(Nc3cc([N+](=O)[O-])ccc3O)n2)c1	1772620410	ODGRKOVVGIESSB-UHFFFAOYSA-N	328.353	3.871	5	1	EHBF	
O=C(c1cccc2c1OC(F)(F)O2)c1coc2cc([N+](=O)[O-])ccc12	587280543	ZLMUTSNGBJZKHG-UHFFFAOYSA-N	347.229	3.894	5	1	EHBF	
COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O	587423222	UDYHSJMVXSTKPX-YVEFUNNKSA-N	345.738	3.746	5	1	EHBF	
Cc1c(-c2nc3cnccc3[nH]2)cc(Br)cc1[N+](=O)[O-]	586980212	RPDMSBIQIPGIBB-UHFFFAOYSA-N	333.145	3.604	5	1	EHBF	
O=[N+]([O-])c1cc(-c2nc3cccc(Cl)c3[nH]2)nn1CC(F)(F)F	587092461	PHGWWNRPLWZLKN-UHFFFAOYSA-N	345.668	3.550	5	1	EHBF	
CCN(CC)CCn1c2cc(=O)c3ccccc3c-2nc2ccccc21	299858061	GCSRIYLXAWFINW-UHFFFAOYSA-N	345.446	3.996	5	1	EHBF	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1F	587139603	LPGRZLXKCIVQPH-UHFFFAOYSA-N	347.693	3.513	5	1	EHBF	
O=C1NCc2c1c1c3cc(O)ccc3[nH]c1c1[nH]c3ccccc3c21	1857775325	GXZFDXZCJALHRF-UHFFFAOYSA-N	327.343	3.905	5	1	EHBF	
Cc1cc2[nH]c(C[C@H]3OCCc4ccsc43)nc2cc1[N+](=O)[O-]	587034129	DJQLMPXQUBPMEE-CQSZACIVSA-N	329.381	3.698	5	1	EHBF	
Cc1oc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1[N+](=O)[O-]	587269708	ZIBGCRHVEIPGNI-UHFFFAOYSA-N	340.108	3.941	5	1	EHBF	
O=[N+]([O-])c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1	587165569	ZUKFKKVNAITYSX-UHFFFAOYSA-N	337.314	3.522	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc([N+](=O)[O-])c1)O2	587376033	BQZPQFDKGMKABY-HNNXBMFYSA-N	332.743	3.845	5	1	EHBF	
COc1ccc2c[n+](C)c3c4cc(OC)c(OC)cc4ccc3c2c1	1766252	ZHBJDQOYJOFWMX-UHFFFAOYSA-N	334.395	3.997	5	1	EHBF	
CCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(CCC)C2=O	103216981	NZVUSXOKTVZPKG-UHFFFAOYSA-N	341.367	3.576	5	1	EHBF	
O=[N+]([O-])c1cnn(-c2c(-c3ccccc3)[nH]c3cccc([N+](=O)[O-])c23)c1	587648008	XWFBBBVQVBBPKM-UHFFFAOYSA-N	349.306	3.837	5	1	EHBF	
COc1cc2ccc3c(OC)c(OC)c(OC)cc3c2c(OC)c1O	14650666	XDKNUCQYHGFFFE-UHFFFAOYSA-N	344.363	3.742	5	1	EHBF	biogenic
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1nc2ccc(F)cc2s1	40379611	AOKRAQZYSCTSCG-UHFFFAOYSA-N	332.316	3.988	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(CCCCCCCCCCCO)[nH]c12	586894943	ZNTMJXODJMLDCI-UHFFFAOYSA-N	334.420	3.912	5	1	EHBF	
Cc1cc2nc(-c3oc4c(c3C)[C@@H](O)CCC4)[nH]c2cc1[N+](=O)[O-]	586903378	JXSQFAZRCXBSKP-ZDUSSCGKSA-N	327.340	3.718	5	1	EHBF	
C[C@H](Sc1ncccn1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586960904	DDMNQRGKJCCLIY-ZETCQYMHSA-N	335.776	3.768	5	1	EHBF	
O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2O)Oc2c1ccc1c2CCCC1	587512477	OMVMGKPNPXCVJS-SFHVURJKSA-N	339.347	3.886	5	1	EHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc(F)c(F)c1	587646010	QEEBEILBJGYRPB-UHFFFAOYSA-N	331.278	3.915	5	1	EHBF	
CCOC(=O)CCc1c(-c2ccccn2)[nH]c2cc([N+](=O)[O-])ccc12	587648813	LWVSJKBGZCXWBB-UHFFFAOYSA-N	339.351	3.634	5	1	EHBF	
Nc1ncc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1[N+](=O)[O-]	587267889	HTAXASIZGQPMQH-UHFFFAOYSA-N	347.334	3.908	5	1	EHBF	
O[C@H]1c2ccc3c4ccccc4c4ccccc4c3c2[C@H]2O[C@@H]2[C@@H]1O	169354172	GZHHSQMUVHHNOY-DXBBTUNJSA-N	328.367	3.994	5	1	EHBF	
COc1cc(-c2nc3c(C)ccc(C)c3[nH]2)c(OC)c([N+](=O)[O-])c1	587261106	UAGMCRDDPUPVHJ-UHFFFAOYSA-N	327.340	3.772	5	1	EHBF	
COc1cc2nc(-c3ccccc3)nn3c4ccccc4c(c1=O)c23	95574762	PRMLFIBNEKSZJX-UHFFFAOYSA-N	327.343	3.509	5	1	EHBF	
Cc1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1	587265588	QSUQVICOGFNUNS-JTQLQIEISA-N	341.327	3.861	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc([N+](=O)[O-])c1)(C1CC1)O2	587390534	RATXOSQGNRWQFR-LJQANCHMSA-N	338.363	3.756	5	1	EHBF	
O=C(O)c1ccc(Nc2cccc3nc4c(O)cccc4nc23)cc1	2356876421	ZKGLTLCRNCXEEC-UHFFFAOYSA-N	331.331	3.930	5	1	EHBF	
c1ccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3cnccc23)cc1	117554430	YOZNUAQXXJHWQZ-UHFFFAOYSA-N	339.362	3.707	5	1	EHBF	
O=[N+]([O-])c1cc(F)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1	587160240	NQSRNQOIHJRHLY-UHFFFAOYSA-N	341.277	3.602	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc([N+](=O)[O-])c1F)O2	587386646	VWJJMIOBSQQBRK-KRWDZBQOSA-N	330.315	3.505	5	1	EHBF	
CN(C)CCCn1[nH]c2c3ccccc3nc3c([N+](=O)[O-])ccc1c32	27526954	BUGBYUTYWJIGSJ-UHFFFAOYSA-N	337.383	3.531	5	1	EHBF	
Cc1ccc2c3c(c4c(nc13)C[C@H](C[N+](=O)[O-])C4)-c1ccccc1C2=O	587099192	YWIUMNRPZXVYBH-GFCCVEGCSA-N	344.370	3.746	5	1	EHBF	
COc1cc(-c2nc3c(C)cnc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1	587260878	KFOHKPZOVXLYGO-UHFFFAOYSA-N	348.746	3.512	5	1	EHBF	
CCOC(=O)c1c(Cc2ccccc2[N+](=O)[O-])[nH]c2cccc(F)c12	587635815	NRYUJSIWLXLWRA-UHFFFAOYSA-N	342.326	3.983	5	1	EHBF	
Cc1ccc(OCCOc2ccc(F)cc2Cl)c([N+](=O)[O-])n1	82157929	MMLNTTNDNUPCTK-UHFFFAOYSA-N	326.711	3.549	5	1	EHBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(F)c(F)cc3[nH]2)c1	587262110	NAQDQIIVGHASNQ-UHFFFAOYSA-N	333.294	3.679	5	1	EHBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cncc(Cl)c3[nH]2)c1	587269507	PFRGWOKPAOXSMF-UHFFFAOYSA-N	343.774	3.787	5	1	EHBF	
O=C(O)c1cc2cc(Cl)ccc2n1Cc1cccc([N+](=O)[O-])c1	13588861	URIPRBWIMMFNFA-UHFFFAOYSA-N	330.727	3.949	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c([N+](=O)[O-])cccc31)O2	587388565	DFLGENJZLZRMKY-LJQANCHMSA-N	338.363	3.682	5	1	EHBF	
COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C2)C3=O	587419113	JMCNUSSIZWMYFR-YVEFUNNKSA-N	345.738	3.746	5	1	EHBF	
Cc1c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cccc1[N+](=O)[O-]	587279369	HJKAIPGPIYLROC-UHFFFAOYSA-N	326.264	3.789	5	1	EHBF	
O=C(c1ccc(C(F)(F)F)cn1)c1coc2cc([N+](=O)[O-])ccc12	587280066	IFTAUZAKVOHSJP-UHFFFAOYSA-N	336.225	3.986	5	1	EHBF	
CC(=O)Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc([N+](=O)[O-])ccc12	587647916	SZVGPAUTVWHBDK-UHFFFAOYSA-N	341.279	3.577	5	1	EHBF	
CC(C)CNc1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1	96910797	WEUVPUHNUZZPLO-UHFFFAOYSA-N	347.318	3.651	5	1	EHBF	
C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587070847	XPULLQHFURKGBR-VIFPVBQESA-N	344.758	3.896	5	1	EHBF	
C[C@H](c1ccc(N(C)C)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587195748	LXFSSBUXSVQLEV-SNVBAGLBSA-N	328.347	3.828	5	1	EHBF	
O=C(c1ccc(CN2CCCC2)o1)c1coc2cc([N+](=O)[O-])ccc12	587280295	RNLGWVFSLQCWCM-UHFFFAOYSA-N	340.335	3.761	5	1	EHBF	
CCOC(=O)c1ccc(NCCCc2ccc([N+](=O)[O-])cc2)cc1	28771842	MTIYZIDTJKELKL-UHFFFAOYSA-N	328.368	3.816	5	1	EHBF	
COc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])c(F)c3)o2)c(F)c1	49112126	RXYKHZFIHHARNE-UHFFFAOYSA-N	333.250	3.599	5	1	EHBF	
COC(=O)Cc1[nH]c2cccc(F)c2c1-c1cccc([N+](=O)[O-])c1	587635830	NYBAYFSHTARDLG-UHFFFAOYSA-N	328.299	3.598	5	1	EHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc([N+](=O)[O-])cc1	587647682	MEJOQFHOMHNDKB-UHFFFAOYSA-N	340.295	3.545	5	1	EHBF	
Cc1nn2c(O)cc(-c3ccc([N+](=O)[O-])cc3)nc2c1-c1ccccc1	5439269	YWRFXGOYLYPQAA-UHFFFAOYSA-N	346.346	3.986	5	1	EHBF	
C[C@@](O)(c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1)C(F)(F)F	28818415	SNDIGVULHIVTLY-SNVBAGLBSA-N	342.195	3.865	5	1	EHBF	
Nc1cc(F)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1N	587136032	AIKSKDHNQALXJP-UHFFFAOYSA-N	344.353	3.630	5	1	EHBF	
COc1ccc(C=O)c2cc(-c3nc4c([N+](=O)[O-])cccc4[nH]3)oc12	586902857	COWGPHGPASXELI-UHFFFAOYSA-N	337.291	3.705	5	1	EHBF	
CC1(C)COc2c(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cccc21	586912088	QLRSZDPWQVLBBV-UHFFFAOYSA-N	327.315	3.947	5	1	EHBF	
O=C(c1c(-c2cccnc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F	587645236	LSUQFVGGFIIVRS-UHFFFAOYSA-N	335.241	3.883	5	1	EHBF	
CCSCCSc1nnc(-c2cccc([N+](=O)[O-])c2)s1	29044079	MFVNDTJEOYOUPX-UHFFFAOYSA-N	327.456	3.959	5	1	EHBF	
O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1Cl	299863951	QMPTVAVWHFOHOQ-UHFFFAOYSA-N	329.743	3.819	5	1	EHBF	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1F	587139910	SJVRPTGXOIDDMG-UHFFFAOYSA-N	349.705	3.702	5	1	EHBF	
O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4ncncc4[nH]3)cc2)cc1	587272594	VXAQOTMSZFTZFI-UHFFFAOYSA-N	333.307	3.720	5	1	EHBF	
O=C(O)CSc1ccc2c(c1)c(=O)c1ccccc1n2C1CC1	5939809	NPQVIIUKPXVFHS-UHFFFAOYSA-N	325.389	3.666	5	1	EHBF	
N[C@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C[C@@H]1c1ccccc1F	587153813	AAQXGGKJRWJCJZ-JDNHERCYSA-N	346.749	3.605	5	1	EHBF	
COc1cc(-c2nc3cc(C)c(F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	587260994	OPJXZGCQLKBQHB-UHFFFAOYSA-N	331.303	3.603	5	1	EHBF	
CCOc1n[nH]c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1Cl	587065751	YJROLVOTJOMGOS-UHFFFAOYSA-N	342.142	3.567	5	1	EHBF	
Cc1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2n1	587108953	DQBNJKBMMVDWCC-UHFFFAOYSA-N	336.273	3.784	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)CC2=O	587468759	AUDWFEOEZLMILE-KRWDZBQOSA-N	327.336	3.959	5	1	EHBF	
O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCN1CCCC1	3805660	SSGYTQLQLRQNTC-UHFFFAOYSA-N	344.414	3.685	5	1	EHBF	
Cc1c(Br)ccc2c(=O)c3cccc(CC(=O)O)c3oc12	26280241	RLKCRLGWCFTHGY-UHFFFAOYSA-N	347.164	3.644	5	1	EHBF	
CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1/C=C/c1ccccc1	96932560	GOGVJTDMZXOZLP-DVQDXYAYSA-N	335.363	3.633	5	1	EHBF	
COC(=O)c1cc2cc(OC)c(OC)cc2c2cc(OC)ccc12	139526350	OWFLKNUAXBFYCT-UHFFFAOYSA-N	326.348	3.805	5	1	EHBF	
O=C(c1ccc2snnc2c1)c1coc2cc([N+](=O)[O-])ccc12	587280367	BWUHJVQKAZSFIB-UHFFFAOYSA-N	325.305	3.577	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cccc([N+](=O)[O-])c3n1)O2	587388474	COLXTZZOFQCKNK-QGZVFWFLSA-N	349.346	3.740	5	1	EHBF	
CNc1cc(Cl)ccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587066989	XOTDNHMPZGDNGT-UHFFFAOYSA-N	347.718	3.741	5	1	EHBF	
CC(CO)(CO)NCc1ccc2ccc3c4ccccc4ccc3c2c1	5761718	OJGHEHHLQPMKAF-UHFFFAOYSA-N	345.442	3.979	5	1	EHBF	
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1ccc(O)cc1	45373065	POYXBNWPKFQNKQ-UHFFFAOYSA-N	343.217	3.971	5	1	EHBF	
N=c1[nH]c(-c2cccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)cs1	587021975	RZKXSHSGPNPJBW-UHFFFAOYSA-N	337.364	3.674	5	1	EHBF	
O=[N+]([O-])c1cc(/C=C/c2nc3ccc(CCO)cc3[nH]2)ccc1Cl	587048671	YIUDSYNCQIKJFD-ZZXKWVIFSA-N	343.770	3.830	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2c1	587074482	WAARAEQNUBRRHE-UHFFFAOYSA-N	328.759	3.990	5	1	EHBF	
O=C(c1ccc(C(F)(F)F)nc1)c1coc2cc([N+](=O)[O-])ccc12	587280195	NGIUQXIZCSKYIM-UHFFFAOYSA-N	336.225	3.986	5	1	EHBF	
Cc1[nH]c([N+](=O)[O-])c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1	14945956	IJIHKBKIAXXWCC-UHFFFAOYSA-N	327.319	3.879	5	1	EHBF	
Cc1cc(N(C)Cc2nc3cc(Cl)cnc3[nH]2)c([N+](=O)[O-])cc1F	587137358	WMTOTSPHZROGAS-UHFFFAOYSA-N	349.753	3.603	5	1	EHBF	
COc1cncc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12	587265780	SQHSQHBATKGBAR-UHFFFAOYSA-N	336.307	3.802	5	1	EHBF	
COc1ccc(/C=C/Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c(OC)c1	587928595	FLKRBFYWHIVWIO-ONEGZZNKSA-N	339.351	3.744	5	1	EHBF	
Cc1cc(C)c2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c1	587093137	WCKDUHLKFHTJGQ-UHFFFAOYSA-N	339.277	3.514	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1[N+](=O)[O-]	587162042	GWBUUBBLOKZIBI-MNOVXSKESA-N	342.286	3.790	5	1	EHBF	
CC(=O)Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cccc([N+](=O)[O-])c12	587647672	LXIXXWKRKAZKRS-UHFFFAOYSA-N	341.279	3.577	5	1	EHBF	
CN1CCC[C@H]1CCNc1ccc2c(=O)c3ccccc3n(C)c2c1	61969077	MSMDSWOGMJPGMK-INIZCTEOSA-N	335.451	3.588	5	3	EHBF	
O=[N+]([O-])c1ccccc1Cn1c(CN2CCCC2)nc2ccccc21	96285124	JFLVBOVBLOCCRK-UHFFFAOYSA-N	336.395	3.589	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cccc([N+](=O)[O-])c13)O2	587389056	ISEZUNRCJYNTQG-MRXNPFEDSA-N	337.335	3.673	5	1	EHBF	
O=C1C[C@@H](c2cc(O)ccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1	587508938	GUAJKMJSVKWRGJ-SFHVURJKSA-N	339.347	3.886	5	1	EHBF	
COc1ncc(F)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1	587175873	JFFSKIMYZCDULM-UHFFFAOYSA-N	345.337	3.869	5	1	EHBF	
CCOc1c(OC)cccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12	587279534	KKSFTQMEJHRMLP-UHFFFAOYSA-N	341.319	3.979	5	1	EHBF	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(Cl)cc2[nH]1	587269843	RKJMWBHRFJPQKJ-UHFFFAOYSA-N	331.715	3.516	5	1	EHBF	
O=C1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(Cl)cc2)N1	103154857	JPDQEQSHAFPVBF-AWEZNQCLSA-N	329.743	3.892	5	1	EHBF	
COC(=O)CCCCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	29472791	VNXKRNMGAWHMBY-UHFFFAOYSA-N	342.779	3.700	5	1	EHBF	
COc1cc(CC[N+](C)(C)[O-])c2c(c1OC)[C@H]1C=CC=C[C@@H]1C=C2	40864981	JXRWQIQJOZZSLA-ZBFHGGJFSA-N	327.424	3.673	5	1	EHBF	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2cnc3ccccc3c2[nH]1	587158841	KFDMLSQELZGNRT-UHFFFAOYSA-N	338.298	3.737	5	1	EHBF	
CC(=O)Nc1cccc(C(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c1	587646718	ISMOHMKMOWALDP-UHFFFAOYSA-N	337.335	3.574	5	1	EHBF	
CCSc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-]	26504103	JKJGTZQYWJTZFT-UHFFFAOYSA-N	331.349	3.636	5	1	EHBF	
COc1cc2oc3cc(O)cc(O)c3c(=O)c2c2c1OC(C)(C)C=C2	14768903	VGIAHLPVRAXCNK-UHFFFAOYSA-N	340.331	3.550	5	1	EHBF	biogenic
COc1ccc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1	95485915	PBHZGGZVVYPZKJ-UHFFFAOYSA-N	326.348	3.875	5	1	EHBF	biogenic,in-vitro
O=C(O)Cc1c(-c2ccc(F)c(F)c2)[nH]c2cc([N+](=O)[O-])ccc12	587645893	NSMXJEJYYRNGJB-UHFFFAOYSA-N	332.262	3.648	5	1	EHBF	
CCc1ccccc1NC(=O)c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1	587240416	DHRASNBFQSNVIG-UHFFFAOYSA-N	344.758	3.939	5	1	EHBF	
CCCc1cc(=O)c2c(OC)c(OC)c3cc(O)cc(OC)c3c2o1	5807484	JUNIOWHVNDZWCB-UHFFFAOYSA-N	344.363	3.630	5	1	EHBF	biogenic
O=[N+]([O-])c1ccc2c(CN3CCOCC3)c(-c3ccccc3)[nH]c2c1	587649425	UTCBAJGDOPAEKU-UHFFFAOYSA-N	337.379	3.575	5	1	EHBF	
O=[N+]([O-])c1cc(F)cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1	587160084	FXYWDMJDBORKAX-UHFFFAOYSA-N	327.102	3.979	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@@H](O)c3ccccc3Cl)[nH]c2cc1Cl	587060034	YSMGNSNGESPBBV-ZDUSSCGKSA-N	338.150	3.860	5	1	EHBF	
N[C@@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C[C@H]1c1ccccc1F	587153812	AAQXGGKJRWJCJZ-FVMDXXJSSA-N	346.749	3.605	5	1	EHBF	
O=C(NCc1ccncc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	72173530	VMLFXCWYXVKOOC-UHFFFAOYSA-N	349.346	3.712	5	1	EHBF	
Cc1ccc(OCCOc2ccc(Cl)cc2F)c([N+](=O)[O-])n1	82157927	ZKMQBMWJOJMQPQ-UHFFFAOYSA-N	326.711	3.549	5	1	EHBF	
O=c1[nH][nH]c(-c2ccc([N+](=O)[O-])cc2)c1Cc1cccc(Cl)c1	207178906	KCUIKAKIRJLQON-UHFFFAOYSA-N	329.743	3.522	5	1	EHBF	
OCc1ccc(F)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1	587140113	GLYXNTOITNXNIT-UHFFFAOYSA-N	344.349	3.958	5	1	EHBF	
COC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12	587646044	RPRVJEWBLKVHAW-UHFFFAOYSA-N	328.299	3.598	5	1	EHBF	
O=C(Oc1cc(O)c2c(=O)c3ccccc3oc2c1)c1ccc(O)cc1	653686945	ZAMTXONDBJTWJR-UHFFFAOYSA-N	348.310	3.577	5	1	EHBF	
O=C(CCNC12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1	169326607	LUGDQBNVTFOWCH-UHFFFAOYSA-N	328.412	3.726	5	1	EHBF	
O=[N+]([O-])c1ccc2c(-n3cc([N+](=O)[O-])cn3)c(-c3ccccc3)[nH]c2c1	587647432	IDJVZQPMNVPRBE-UHFFFAOYSA-N	349.306	3.837	5	1	EHBF	
C[C@H](O)CNCCNCc1ccc2ccc3cccc4ccc1c2c34	26486694	NHCAFNSSECYBON-HNNXBMFYSA-N	332.447	3.644	5	1	EHBF	
O=[N+]([O-])c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1	71319067	ZDRRWJXUUKAASS-UHFFFAOYSA-N	328.368	3.862	5	1	EHBF	
O=C(O)c1cccc(N2Cc3cccc4c([N+](=O)[O-])ccc(c34)C2)c1	621476384	LQICGKVAAWHIPM-UHFFFAOYSA-N	334.331	3.966	5	1	EHBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1	587267649	OKRHFMPCLAIIKU-ZETCQYMHSA-N	340.170	3.892	5	1	EHBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(C(C)(C)C)c2[nH]1	587273621	JFVINWHVBOMHNI-NSHDSACASA-N	327.388	3.769	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@H](c1cc(O)cc([N+](=O)[O-])c1)CC2=O	587473492	WCVNWJTVWCCPKP-KRWDZBQOSA-N	343.335	3.665	5	1	EHBF	
COc1ccc([C@@H](C[N+](=O)[O-])c2c(C)[nH]c3ccccc23)cc1OC	238340	GZPKZVVUKWYICT-OAHLLOKOSA-N	340.379	3.902	5	3	EHBF	
O=C(O)c1cn(C2CC2)c2c(cc(F)c3c4ccccc4[nH]c32)c1=O	58576411	IVCCUGCKGYWXTI-UHFFFAOYSA-N	336.322	3.808	5	1	EHBF	
O=C1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H](c2cccc(Cl)c2)N1	103155579	VFCBYOKPNUZDSN-OAHLLOKOSA-N	329.743	3.892	5	1	EHBF	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc([N+](=O)[O-])cc2[nH]1	586962469	FHJCWHYZWYESHW-LBPRGKRZSA-N	345.384	3.519	5	1	EHBF	
O=C(c1cc(Cl)nnc1Cl)c1coc2cc([N+](=O)[O-])ccc12	587280215	OIJSZOJQLRBYBZ-UHFFFAOYSA-N	338.106	3.669	5	1	EHBF	
CC[C@H]1C[N+]2(C[C@@H](O)c3ccnc4ccc(OC)cc34)CCC1CC2	169338015	VSYLYJZAYCHMJI-KYTCCHBWSA-N	341.475	3.543	5	1	EHBF	
O=C(COCc1ccc2ccccc2c1)Nc1cccc([N+](=O)[O-])c1	473116720	XJFUZIPULUONGL-UHFFFAOYSA-N	336.347	3.903	5	1	EHBF	
COc1cccc(-c2c3cc(N)ccc3c3ccc(N)cc3[n+]2C)c1	5159489	IGYURVHKDVOINN-UHFFFAOYSA-O	330.411	3.658	5	1	EHBF	
O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)[C@@H](O)[C@@H](O)C=C4	27876527	WDHBKPKURFBUFF-FXAWDEMLSA-N	331.327	3.913	5	1	EHBF	
COc1ccccc1NC(=O)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12	587647262	SXWOOXKWRJFCDC-UHFFFAOYSA-N	325.324	3.645	5	1	EHBF	
CCN(CC)CCCNc1nc(C)cc2[nH]c3ccccc3c(=O)c12	28763091	OEJOXXYLDGWCSK-UHFFFAOYSA-N	338.455	3.529	5	1	EHBF	
O=c1nc2cc(-c3cccc([N+](=O)[O-])c3)cc[c-]2n1Cc1ccccc1	169717098	XHVUFUAQLXEEFJ-UHFFFAOYSA-N	344.350	3.739	5	1	EHBF	
COc1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1OC	587279246	FLRWJLCGJFQWLT-UHFFFAOYSA-N	327.292	3.589	5	1	EHBF	
CN(C)CCCNc1c2ccccc2[n+](C)c2c1oc1ccccc12	101207570	LUUXUPREJFYBLU-UHFFFAOYSA-O	334.443	3.927	5	1	EHBF	
Cc1cc(N)c2cc(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)ccc2n1	206849146	KSCLLFMLHCMLAW-WTKPLQERSA-N	348.362	3.686	5	1	EHBF	
Cc1c(-c2nc3ccc(Br)c(O)c3[nH]2)cccc1[N+](=O)[O-]	587261086	SJYYBDRJNQTFMU-UHFFFAOYSA-N	348.156	3.915	5	1	EHBF	
COc1cccc(CCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1	587932422	XQACMZGBVZFISP-UHFFFAOYSA-N	331.759	3.918	5	1	EHBF	
COc1cc2[nH]c3c(O)cccc3c(=O)c2c(O)c1CC=C(C)C	14819114	LIBMMBBIHSDVBG-UHFFFAOYSA-N	325.364	3.610	5	1	EHBF	biogenic
Cn1s/c(=N/c2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1	103181258	PFEIEZDKZFBXKF-BMRADRMJSA-N	346.799	3.943	5	1	EHBF	
O[C@H]1c2ccc3c4ccccc4c4ccccc4c3c2[C@H]2O[C@@H]2[C@H]1O	195434518	GZHHSQMUVHHNOY-FNAHDJPLSA-N	328.367	3.994	5	1	EHBF	
Cc1cc(N(C)Cc2nc3ccc(Cl)nc3[nH]2)c([N+](=O)[O-])cc1F	587137179	RSUZRWZKEZOQAW-UHFFFAOYSA-N	349.753	3.603	5	1	EHBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1	587274722	KLGSKHNIZOOQLX-UHFFFAOYSA-N	335.323	3.664	5	1	EHBF	
O=[N+]([O-])c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1	587076198	LFNHVRJBRMBLBB-OAHLLOKOSA-N	342.742	3.742	5	1	EHBF	
Cc1cc2[nH]c(C3(O)CCC(C(F)(F)F)CC3)nc2cc1[N+](=O)[O-]	587125518	GOUCCDIWPUTXEG-UHFFFAOYSA-N	343.305	3.720	5	1	EHBF	
COc1cc(OCc2nc3cc(C)c(C)cc3[nH]2)ccc1[N+](=O)[O-]	587262558	CMCZWKOCJSNLEV-UHFFFAOYSA-N	327.340	3.676	5	1	EHBF	
O=[N+]([O-])c1cccc(-c2cn(-c3cccc(C(F)(F)F)c3)nn2)c1	473084649	TTXXCCISUJFELM-UHFFFAOYSA-N	334.257	3.861	5	1	EHBF	
O=[N+]([O-])c1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1Cl	587088124	IXGIKWRYWNODIA-ZETCQYMHSA-N	342.733	3.874	5	1	EHBF	
C[C@@H]1N=C(S)N(Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1	29336131	SOTYNBJZFCRLHP-NHYWBVRUSA-N	328.397	3.653	5	1	EHBF	
COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccc(C)c([N+](=O)[O-])c1	963610295	OWRAONZPEHKFGX-BUXKBTBVSA-N	342.395	3.544	5	1	EHBF	
CCC(CO)(CO)NCc1ccc2ccc3cccc4ccc1c2c34	26485950	PGULKQQPMATSHP-UHFFFAOYSA-N	333.431	3.807	5	1	EHBF	
O=C(/C=C/c1ccc(O)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1	45258313	QGUCFFNQCOHKRM-FPYGCLRLSA-N	341.348	3.562	5	1	EHBF	
COc1ccc2c(cn(C)c3c4cc(O)c(=O)cc4ccc23)c1OC	169722321	SIYWDWQSUREEIV-UHFFFAOYSA-N	335.359	3.568	5	1	EHBF	
O=[N+]([O-])c1cccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12	587077285	UQWXBHHQIVZLAC-AWEZNQCLSA-N	342.742	3.742	5	1	EHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1cccc([N+](=O)[O-])c1	587647449	IVCPXAIIPWNXGT-UHFFFAOYSA-N	340.295	3.545	5	1	EHBF	
O=[N+]([O-])c1cnc(Nc2ccc3[nH]ccc3c2)nc1NC1CCCC1	64510413	HINXKCAJJYALBR-UHFFFAOYSA-N	338.371	3.964	5	1	EHBF	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc([N+](=O)[O-])c2[nH]1	586964074	UHYCHADNEOPVEK-LLVKDONJSA-N	345.384	3.519	5	1	EHBF	
CCN(CC)CCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1	1857585736	WESNTLUZDKBCAB-UHFFFAOYSA-N	346.377	3.680	5	1	EHBF	
COc1ccc2[nH]c3c(C)c4ccnc(NCCCN)c4cc3c2c1	6069483	VNOURZVCRKGYNJ-UHFFFAOYSA-N	334.423	3.947	5	1	EHBF	
COc1cc2c(=O)c3c(oc4ccccc43)oc2c(OC)c1OC	238734611	UAHYTTWPHTZWRV-UHFFFAOYSA-N	326.304	3.718	5	1	EHBF	
Cc1c(-c2nc3cc(Br)ncc3[nH]2)cccc1[N+](=O)[O-]	587260961	MTHCLLXMGVUFBT-UHFFFAOYSA-N	333.145	3.604	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(C)cc1[N+](=O)[O-])O2	587389283	KJEXIQQGQACEMN-LJQANCHMSA-N	340.379	3.760	5	1	EHBF	
COc1ccc([N+](=O)[O-])cc1[C@@H](O)c1c(C)[nH]c2cccc(F)c12	587636152	SCDVBTZFKIFVSQ-QGZVFWFLSA-N	330.315	3.614	5	1	EHBF	
Cc1nc(-c2ccccc2)n2nc(Nc3ccc([N+](=O)[O-])cc3)ncc12	45484460	SHGIFHQYGDEMJX-UHFFFAOYSA-N	346.350	3.752	5	1	EHBF	
O=c1c2ccc(Cl)cc2oc2ccc(CNCCCCCO)cc12	40394876	KZUVXLFWNLGFQY-UHFFFAOYSA-N	345.826	3.852	5	1	EHBF	
CSc1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1	587159711	VEXIHKYFTPYHHE-UHFFFAOYSA-N	333.344	3.911	5	1	EHBF	
COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1[N+](=O)[O-]	27563558	IMOUFFWLCQQZJG-ARJAWSKDSA-N	329.308	3.511	5	1	EHBF	
Cc1cccc(C[n+]2ccc3c4ccccc4n4c(=O)ccc2c34)c1	653796573	FKCJVKFBWYMAAW-UHFFFAOYSA-N	325.391	3.688	5	1	EHBF	
O=[N+]([O-])c1ccc2c(c1)[C@@H](O)CN(CCCCc1ccccc1)CC2	1857758402	MXIVSGODGUSXCI-FQEVSTJZSA-N	340.423	3.509	5	1	EHBF	
OCc1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1	586895285	VVKDJBXLDMTPAL-UHFFFAOYSA-N	326.359	3.819	5	1	EHBF	
CCn1ncc(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)c1C	587645774	CXGTXHGTVLAYEN-UHFFFAOYSA-N	348.309	3.770	5	1	EHBF	
C[C@@H](c1nc2cc(Cl)c(Cl)cc2[nH]1)n1cc([N+](=O)[O-])cn1	587277260	RPQXVYVSJYJACC-LURJTMIESA-N	326.143	3.584	5	1	EHBF	
Cc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1[N+](=O)[O-]	587875020	LXKGVZGUQMYBBZ-UHFFFAOYSA-N	339.282	3.700	5	1	EHBF	
O=[N+]([O-])c1cccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12	587950613	MZFBZHLGORTJRO-UHFFFAOYSA-N	327.384	3.957	5	1	EHBF	
Cc1ccc(C(=O)CCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	43011628	NPPNDFMOZZDAAG-UHFFFAOYSA-N	337.335	3.769	5	1	EHBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)c(Cl)cc2[nH]1	587275830	GZCLYBAIQHJPJB-ZETCQYMHSA-N	340.170	3.778	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c12	586897798	JZFUFNPNHUPZCC-UHFFFAOYSA-N	332.319	3.906	5	1	EHBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Cl)ncc3[nH]2)c1	587269467	OGARRXDGESLYHU-UHFFFAOYSA-N	343.774	3.787	5	1	EHBF	
Cn1c([N+](=O)[O-])cnc1SCCCCCCCCCC(=O)O	169347023	UIKMFCXBLUUUDO-UHFFFAOYSA-N	329.422	3.626	5	1	EHBF	
O[C@H]1c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@H]2O[C@H]2[C@H]1O	195434531	LBOOERJKINPNNR-KJJMTIBFSA-N	328.367	3.994	5	1	EHBF	
COc1cc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc(Cl)c1O	587046130	KUYSTSSNACVZTP-UHFFFAOYSA-N	333.731	3.814	5	1	EHBF	
O=[N+]([O-])c1ccn(CCCc2nc3cc(Cl)c(Cl)cc3[nH]2)n1	587274107	SOJVLZVPCHUOIS-UHFFFAOYSA-N	340.170	3.607	5	1	EHBF	
O=C(CCCc1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Cl)cn1	587081360	PASBWRCTUISPCR-UHFFFAOYSA-N	344.758	3.725	5	1	EHBF	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc4c(cc3[nH]2)OCO4)c1F	587139652	NUGAAQCDECNMDA-UHFFFAOYSA-N	335.678	3.659	5	1	EHBF	
CC(C)c1ccc(-n2cc(C(=O)c3ccccc3[N+](=O)[O-])nn2)cc1	96270243	ULKWGJGIASNAEZ-UHFFFAOYSA-N	336.351	3.530	5	1	EHBF	
COc1ccc(Cn2cc(C[N+](C)(C)C)c3ccccc32)cc1OC	103300511	IPRAZASHIUDUHO-UHFFFAOYSA-N	339.459	3.913	5	1	EHBF	
COC(=O)c1cc2cc(OC)ccc2c2cc(OC)c(OC)cc12	653845491	YITAPVNAEKZTFN-UHFFFAOYSA-N	326.348	3.805	5	1	EHBF	
O=C1C[C@@H]2c3ccc4ccccc4c3O[C@H]2N1c1ccc([N+](=O)[O-])cc1	98085253	WKMBACBNMFMYOD-YLJYHZDGSA-N	346.342	3.987	5	1	EHBF	
COc1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1	587269431	NMMSFIBZJWVOQE-UHFFFAOYSA-N	338.367	3.747	5	1	EHBF	
Nc1ccnc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c12	587272145	OFVHVRQUXRNRBI-UHFFFAOYSA-N	347.334	3.908	5	1	EHBF	
COc1ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(Cl)n1	587083675	FVZRNMHUSGHAOI-UHFFFAOYSA-N	339.138	3.849	5	1	EHBF	
COc1cccc([C@H](C)Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1	587929993	DYRLIXHJBBMUNH-SNVBAGLBSA-N	329.331	3.965	5	1	EHBF	
O=[N+]([O-])c1ccc(Nc2nc(-c3cccnc3)nc3ncccc23)cc1	1772632111	OGPORPZDADCBLP-UHFFFAOYSA-N	344.334	3.739	5	1	EHBF	
O=c1c2ccccc2sc2c(Cn3ccnc3)ccc([N+](=O)[O-])c12	49049644	OCFFNJCKSSDREB-UHFFFAOYSA-N	337.360	3.568	5	1	EHBF	in-vivo
C[C@@H](Oc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587169495	XWEABMZAKZMMRH-MRVPVSSYSA-N	346.274	3.658	5	1	EHBF	
O=C(c1cccc([N+](=O)[O-])c1)n1nc2cc1Oc1ccc(F)cc1-2	587875144	NUPHQGWMOOYYGN-UHFFFAOYSA-N	325.255	3.392	5	1	EHBF	
COC(=O)Nc1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1	587243417	KZWFJJSBLBTFLD-UHFFFAOYSA-N	346.730	3.970	5	1	EHBF	
N=c1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c2ccccc2[nH]1	587254394	SMUCDJKCYKKFGK-UHFFFAOYSA-N	339.742	3.752	5	1	EHBF	
O=[N+]([O-])c1cccc(CCc2nc3cc(Cl)c(Cl)nc3[nH]2)c1	587269469	DDQALZZANKDYCJ-UHFFFAOYSA-N	337.166	3.958	5	1	EHBF	
O=[N+]([O-])c1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1F	587035136	LVZAUVCZOUJLIP-ZDUSSCGKSA-N	333.344	3.528	5	1	EHBF	
O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(O)cc4[nH]3)c2)c1	587269376	BNZYNWZYPHSPTC-UHFFFAOYSA-N	332.319	3.906	5	1	EHBF	
O=[N+]([O-])c1cccc(CCc2nc3cc(Cl)nc(Cl)c3[nH]2)c1	587270354	MRHPSVIQVVCPCY-UHFFFAOYSA-N	337.166	3.958	5	1	EHBF	
O=[N+]([O-])c1cccc(CNCC2CCN(CC3CCCCC3)CC2)c1	45210521	FRPIJXDXNZRUCG-UHFFFAOYSA-N	345.487	3.977	5	1	EHBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(C)(C)C)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	587265315	WCDLDPIIBDIAQF-KWCYVHTRSA-N	343.427	3.521	5	1	EHBF	
O=[N+]([O-])c1cccc([C@@]2(c3ccccc3)NCCc3ccc(O)cc32)c1	963341619	NOYIPWINGRGPIP-OAQYLSRUSA-N	346.386	3.738	5	1	EHBF	
O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3nc(Cl)ncc3[nH]2)o1	587265122	NBXWYBROQPDYOC-UHFFFAOYSA-N	341.714	3.842	5	1	EHBF	
C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587195747	LXFSSBUXSVQLEV-JTQLQIEISA-N	328.347	3.828	5	1	EHBF	
CCc1ccc2nc(-c3ccc(NCCOC)c([N+](=O)[O-])c3)[nH]c2c1	587262258	PEYKECBPMXQLOF-UHFFFAOYSA-N	340.383	3.759	5	1	EHBF	
O=[N+]([O-])c1cc2nc(-c3ccc(Cl)nc3F)[nH]c2cc1Cl	587177714	VNSKITLTCGIVIO-UHFFFAOYSA-N	327.102	3.979	5	1	EHBF	
CSC[C@@](C)(O)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1	28818406	QDQPXFFUNJPXMZ-GFCCVEGCSA-N	334.319	3.665	5	1	EHBF	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc[nH]c(=N)c2[nH]1	586973468	OQPAENWHPWRVDG-UHFFFAOYSA-N	343.412	3.694	5	1	EHBF	
O=c1[nH]c2ccc(S(=O)(=O)c3ccccc3)cc2c2ccccc12	28645744	DKPLPJSPKPSWIC-UHFFFAOYSA-N	335.384	3.514	5	1	EHBF	
O=[N+]([O-])c1ccc(-c2nsc(-c3ccc([N+](=O)[O-])cc3)n2)cc1	73222750	VCXUCYVZJDYDCE-UHFFFAOYSA-N	328.309	3.689	5	1	EHBF	
Cc1ccc([C@H](C)[C@@H](O)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1	586884682	AEXVQPGPTOBGSH-YVEFUNNKSA-N	325.368	3.925	5	1	EHBF	
O=[N+]([O-])c1cnc2nc(-c3ccc(-c4nccs4)s3)[nH]c2c1	587024331	VTRZPUQTFSMSHU-UHFFFAOYSA-N	329.366	3.718	5	1	EHBF	
Cc1nc2[nH]c(-c3cccc([N+](=O)[O-])c3C)nc2cc1Br	587260981	NWZKDPZSKASAGO-UHFFFAOYSA-N	347.172	3.912	5	1	EHBF	
O=C(OCc1ccccc1)c1coc(-c2ccc(F)cc2[N+](=O)[O-])n1	49112313	FHVWUHXBRGQBAR-UHFFFAOYSA-N	342.282	3.746	5	1	EHBF	
O=[N+]([O-])c1cncc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12	586894888	FVHKNOLRVIMIIE-UHFFFAOYSA-N	346.346	3.692	5	1	EHBF	
COc1ccc2c(c1)C[C@H](c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)CC2	587937125	IRMYFAGVUHRLFO-LLVKDONJSA-N	341.342	3.891	5	1	EHBF	
O=[N+]([O-])c1ccc2c(ccc3nc4ncc(Br)cc4n32)c1	72178498	STBRQDVYNMSZJX-UHFFFAOYSA-N	343.140	3.706	5	1	EHBF	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]([N+](=O)[O-])CCC3	586987631	PHVORROEBMBRGR-CQSZACIVSA-N	346.342	3.806	5	1	EHBF	
Cc1[nH]c2c(C(=O)O)cccc2c1-c1c([N+](=O)[O-])ccc(O)c1F	587637656	MPGBEJCKVWXQRD-UHFFFAOYSA-N	330.271	3.594	5	1	EHBF	
Cc1cc(C)cc(N2C(=O)CS[C@@H]2c2cccc([N+](=O)[O-])c2)c1	36376353	BPIPJNURTQDQSA-QGZVFWFLSA-N	328.393	3.990	5	1	EHBF	
O=[N+]([O-])c1ccc(-n2cc(-c3ccccc3)nn2)cc1C(F)(F)F	169338579	HLHCKVWXFNTBBW-UHFFFAOYSA-N	334.257	3.861	5	1	EHBF	
Cc1ccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1C(F)(F)F	587095583	LTBBPAFXJKVKHE-UHFFFAOYSA-N	336.273	3.784	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)O2	587375787	OYHXMGMDGYJWEC-HNNXBMFYSA-N	332.743	3.845	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@](CC)(CC[C@H](C)[N+](=O)[O-])CC2=O	587473669	ZEBCDIWLYHXFAS-KPZWWZAWSA-N	335.400	3.904	5	1	EHBF	
O=c1[nH]c2ccccc2c(=O)n1-c1c2ccccc2cc2ccccc12	13479542	SISSLRJYACXIQF-UHFFFAOYSA-N	338.366	3.985	5	1	EHBF	in-vitro
Cc1c(-c2nc3cccnc3[nH]2)cc(Br)cc1[N+](=O)[O-]	586980025	NCQNZWLWJGLACD-UHFFFAOYSA-N	333.145	3.604	5	1	EHBF	
COc1cc(OCc2nc3ccc(F)c(C)c3[nH]2)ccc1[N+](=O)[O-]	587262594	DFBBKZARDYBNRY-UHFFFAOYSA-N	331.303	3.506	5	1	EHBF	
O=C1OCC(Nc2ccccc2[N+](=O)[O-])=C1c1cccc(Cl)c1	72116193	IWOCFRAARHDDGV-UHFFFAOYSA-N	330.727	3.628	5	1	EHBF	
COc1cc2c(=O)cc3c4ccccc4sn3c2c(OC)c1OC	16687	LVYDVWMDKGQVTP-UHFFFAOYSA-N	341.388	3.693	5	1	EHBF	
O=[N+]([O-])c1ccc(O[C@H](Cn2ccnc2)c2ccccc2)c(F)c1	49808654	TWHAUCTUEVXNJB-QGZVFWFLSA-N	327.315	3.751	5	1	EHBF	
CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2[N+](=O)[O-])cc1	1857761950	AASHXWIJTWSCFN-UHFFFAOYSA-N	342.395	3.570	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3ccccc3-c3ccc(O)cc3)nc2c1	586898780	OBSDNCNHOUDZPD-UHFFFAOYSA-N	332.319	3.906	5	1	EHBF	
CC(C)=CCOc1c(C)cc2oc3cccc(O)c3c(=O)c2c1CO	13328055	YZRMQCFQSYXWHZ-UHFFFAOYSA-N	340.375	3.798	5	1	EHBF	biogenic
O=[N+]([O-])c1cnc2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc2c1	587109314	HLXBNKLDCUNZTM-UHFFFAOYSA-N	326.209	3.691	5	1	EHBF	
Cc1cnc([C@H]2C[C@]23C(=O)Nc2ccc(Cl)cc23)c(C)c1[N+](=O)[O-]	28572325	DDFMYQBIQBWTSN-SJKOYZFVSA-N	343.770	3.637	5	1	EHBF	
COCCOCc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C	205329463	BKTYMSQHBLUMCR-UHFFFAOYSA-N	340.379	3.917	5	3	EHBF	
Cc1nc(C)c(-c2ccnc(Nc3ccc([N+](=O)[O-])cc3)n2)s1	13559877	XSCMYZSBESWDML-UHFFFAOYSA-N	327.369	3.869	5	1	EHBF	
CCOC(=O)CCc1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12	587645021	HPSBKXUWXXXJJH-UHFFFAOYSA-N	330.262	3.591	5	1	EHBF	
O=[N+]([O-])c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1	587140335	ZONIXXIWOAPLBK-UHFFFAOYSA-N	336.666	3.839	5	1	EHBF	
COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CN(C)C)cc1	587647362	WYVKWBDZBFPEOS-UHFFFAOYSA-N	325.368	3.813	5	1	EHBF	
COc1c(O)ccc2c(=O)c3c(O)c4c(cc3oc12)OC(C)(C)C=C4	238788045	KFGVGGMDMOXJAZ-UHFFFAOYSA-N	340.331	3.550	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cccc1[N+](=O)[O-])O2	587375763	OPAUZIPCIXCQMT-CQSZACIVSA-N	332.743	3.845	5	1	EHBF	
C[C@H]1N=C(S)N(Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1	29336143	SOTYNBJZFCRLHP-IAQYHMDHSA-N	328.397	3.653	5	1	EHBF	
CC(C)Oc1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1	587148997	OBFPLDNZJBKGSG-UHFFFAOYSA-N	345.330	3.976	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2cc1[N+](=O)[O-]	587162045	GWBUUBBLOKZIBI-QWRGUYRKSA-N	342.286	3.790	5	1	EHBF	
CC(=O)Nc1cccc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1	587242828	UGUBZVBUKXPQMK-UHFFFAOYSA-N	344.758	3.674	5	1	EHBF	
C[C@@]1(c2ncccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3	587512936	PXUXJEBVVIUOJW-IBGZPJMESA-N	338.363	3.749	5	1	EHBF	
CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ncc([N+](=O)[O-])s2)cc1	1772631531	BQVLYKYMRYSWSX-LLVKDONJSA-N	333.413	3.992	5	1	EHBF	
Cn1c2ccccc2c(=Nc2ccc(C(N)=O)cc2)c2ccccc21	377814126	ORCJFJSRUMONQN-UHFFFAOYSA-N	327.387	3.663	5	1	EHBF	
Cc1cc(Cl)ccc1OCCCc1nc2cncc([N+](=O)[O-])c2[nH]1	587067202	YJZJONRQWBVGMM-UHFFFAOYSA-N	346.774	3.840	5	1	EHBF	
COc1c(F)cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1F	587279985	FWWJBEZABRYQMK-UHFFFAOYSA-N	333.246	3.859	5	1	EHBF	
CCOC(=O)c1c(-c2ccc(Cl)cn2)[nH]c2cccc([N+](=O)[O-])c12	587645534	YGEZHRWISZSGDP-UHFFFAOYSA-N	345.742	3.968	5	1	EHBF	
C[N+](C)(C)C[C@@H]1C[S@@](=O)C(C2CCCCC2)(C2CCCCC2)O1	29405902	LRBPZOOGQFAYKA-JPYJTQIMSA-N	342.569	3.697	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3cc(Cl)nc4ccccc34)nc2c1	587085580	VEHOMQLSHAGIGR-UHFFFAOYSA-N	325.715	3.735	5	1	EHBF	
O=[N+]([O-])c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1	587092195	NVXIYTZFKMMLJQ-UHFFFAOYSA-N	326.234	3.621	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1)CC2=O	587468764	AUDWFEOEZLMILE-QGZVFWFLSA-N	327.336	3.959	5	1	EHBF	
O=C(c1ccc([N+](=O)[O-])cc1)C1CCN(CCc2ccccc2)CC1	13473863	ZGLBTEAJLGDSJU-UHFFFAOYSA-N	338.407	3.732	5	1	EHBF	
O=C(c1ccccn1)c1c(-c2ccccn2)[nH]c2cccc([N+](=O)[O-])c12	587649435	UYLDGHMIAWWREJ-UHFFFAOYSA-N	344.330	3.764	5	1	EHBF	
O=[N+]([O-])c1nccn1CCCCNc1ccnc2c(Cl)cccc12	1857629954	GNKOKFMGIKHBIO-UHFFFAOYSA-N	345.790	3.885	5	1	EHBF	
COC(=O)c1cc(OC)c(OC)c2c1c([N+](=O)[O-])cc1ccccc12	13335563	SJFUNPNDPBAPCB-UHFFFAOYSA-N	341.319	3.705	5	1	EHBF	biogenic,in-vitro
COc1c(O)c(CC=C(C)C)c2oc3c(O)cccc3c(=O)c2c1O	14763030	NDHWWMCGDXLCHL-UHFFFAOYSA-N	342.347	3.580	5	1	EHBF	biogenic
O=[N+]([O-])c1cc2nc(CCCCc3cccc(O)c3)[nH]c2cc1F	586896274	NYLHKNXDOIUUQK-UHFFFAOYSA-N	329.331	3.881	5	1	EHBF	
CCCCS(=O)(=O)Nc1ccc2nc(O)c3ccccc3c2c1	1857534383	YSFZNQFZRZMTHF-UHFFFAOYSA-N	330.409	3.635	5	1	EHBF	
COc1ccc(NC(C)(C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1	587201487	NRWIUABQMPXUKI-UHFFFAOYSA-N	326.356	3.827	5	1	EHBF	
O=C(c1cccnc1)n1c(-c2cccc([N+](=O)[O-])c2)nc2ccccc21	40977371	KWMVUBZIHYDWFH-UHFFFAOYSA-N	344.330	3.695	5	1	EHBF	
CN(C)CCCNC(=O)c1cc2c3ccccc3[nH]c2c2cccnc12	96921556	IVLDKRAGMGRXGO-UHFFFAOYSA-N	346.434	3.551	5	1	EHBF	
C[C@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1ccc(Cl)cc1Cl	96929063	KQBXZVYHURSCDB-SGRBOOSSSA-N	342.182	3.649	5	1	EHBF	
CCCCn1c(=O)c2ccccc2c2cc(C(=O)NC3CC3)ccc21	169326786	XRORTPBEUOCIEF-UHFFFAOYSA-N	334.419	3.847	5	1	EHBF	
COc1ccc(C[C@H]2c3c(C)cccc3CC[N+]2(C)C)cc1OC	13648581	GGUYFWPRAKHTRR-SFHVURJKSA-N	326.460	3.929	5	1	EHBF	
CC(C)(C)C(=O)Nc1cccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1	587242307	RUXKYGVGCOJGGG-UHFFFAOYSA-N	339.355	3.518	5	1	EHBF	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Cl)ncc3[nH]2)c1F	587139355	IFFQYVPJBBXAGO-UHFFFAOYSA-N	327.102	3.979	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C)ccc1[N+](=O)[O-])O2	587391647	WIIKGIBLMWLIAA-SFHVURJKSA-N	326.352	3.674	5	1	EHBF	
COc1ccc(C[C@H]2c3sc(C)cc3CC[N+]2(C)C)cc1OC	13648629	YNUBRIUFXBMGBO-INIZCTEOSA-N	332.489	3.990	5	1	EHBF	
O=[N+]([O-])c1cccc(CCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1	587269952	JVPIVXQNHWHIDY-UHFFFAOYSA-N	346.730	3.818	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@](C)(c1ccncc1[N+](=O)[O-])CC2=O	587471508	SENADLHTRSDLHZ-SFHVURJKSA-N	342.351	3.529	5	1	EHBF	
O=C(c1cccnc1)c1c(-c2cccnc2)[nH]c2cc([N+](=O)[O-])ccc12	587649384	UBKIKNONUIRXQW-UHFFFAOYSA-N	344.330	3.764	5	1	EHBF	
COc1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)c([N+](=O)[O-])c1	587875957	WKJFXDGXYDACJN-UHFFFAOYSA-N	327.271	3.701	5	1	EHBF	
O=C(CN1C=C[C](Cc2ccc([N+](=O)[O-])cc2)C=C1)c1ccccc1	2356874759	DPTGRDDQYABOFU-UHFFFAOYSA-N	333.367	3.938	5	1	EHBF	
COc1ccc2c3ccc4c5c(cc6c4c3n(cc-2c1=O)CC6)OCO5	96935116	RUUCGJALKVPGFU-UHFFFAOYSA-N	345.354	3.553	5	1	EHBF	
CC[N+](C)(CC)CCS[C@@H](N=O)C(=O)c1ccc(Cl)cc1	169713384	UFBOOBLHJZQTJI-OAHLLOKOSA-N	329.873	3.835	5	1	EHBF	
N[C@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C[C@H]1c1ccccc1F	587153814	AAQXGGKJRWJCJZ-XXFAHNHDSA-N	346.749	3.605	5	1	EHBF	
CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1ncccc1[N+](=O)[O-]	963256198	BURTXTWBRIXKTL-IFXJQAMLSA-N	325.412	3.910	5	1	EHBF	
COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1CC=C(C)C	13539005	JZLXKPGAABLTJE-UHFFFAOYSA-N	342.347	3.580	5	1	EHBF	endogenous,in-man
Cc1ccc([C@@H](C[N+](=O)[O-])c2c(O)n[nH]c2-c2ccccc2C)cc1	653823262	UIYIMNPCHXCORL-MRXNPFEDSA-N	337.379	3.808	5	1	EHBF	
O=C(O)c1cccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12	587047154	CUPJACCDQMLKBC-ALCCZGGFSA-N	343.726	3.993	5	1	EHBF	
Cc1cc(N(C)Cc2nc3ccnc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F	587137181	RTJMKZHFVQBFIT-UHFFFAOYSA-N	349.753	3.603	5	1	EHBF	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1	587233292	MBRWYCUCODXRCA-RYUDHWBXSA-N	346.387	3.632	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)ccc1[N+](=O)[O-])O2	587384269	CLBWNTIXINBDHW-KRWDZBQOSA-N	330.315	3.505	5	1	EHBF	
CCCCc1ccc(-n2sc3ncc([N+](=O)[O-])cc3c2=O)cc1	1654023	PJRJESLYPUPUDM-UHFFFAOYSA-N	329.381	3.698	5	1	EHBF	
CC(C)=CC[N+]1(C)C[C@H]2CC[C@H]3[C@H]4C(=O)O[C@H]([C@H]4C(C)C)[C@@H]1[C@@]23C	95912458	JLNQFACIRZVQBS-HFKUHBJUSA-N	332.508	3.641	5	1	EHBF	biogenic,in-vitro
O=[N+]([O-])c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1	971665	KIBYVRORTKFSMR-UHFFFAOYSA-N	329.319	3.662	5	1	EHBF	
COc1c(O)c2c3c(c(C)c4cc(O)ccc4c3c1OC)N(C)CC2	15263102	WQHFKOOVUWJLPV-UHFFFAOYSA-N	339.391	3.722	5	1	EHBF	biogenic
CC(C)n1cc([N+](=O)[O-])c2cc(-c3cc(C(=O)O)ccn3)ccc21	116763180	HYGGAHFIAPCNFF-UHFFFAOYSA-N	325.324	3.891	5	1	EHBF	
COc1ccc([N+](=O)[O-])cc1[C@@H](O)c1c(C)[nH]c2cc(F)ccc12	587635445	HZELUNBXVBLELF-QGZVFWFLSA-N	330.315	3.614	5	1	EHBF	
COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(O)c([N+](=O)[O-])cc3C=C[C@@H]12	27524396	UHXCIPYBXDKOGN-NXHRZFHOSA-N	331.368	3.564	5	1	EHBF	
CNCCc1c(OC)c(OC)c(OC)c2c1ccc1ccccc12	238776426	WNRSXDCFYNHFFF-UHFFFAOYSA-N	325.408	3.781	5	1	EHBF	
O=Cc1c(-c2ccc(F)c([N+](=O)[O-])c2)nc2sc(Cl)cn12	73139999	VMIYNJXQMOAWKT-UHFFFAOYSA-N	325.708	3.576	5	1	EHBF	
Cc1nc(-c2c[nH]cc2-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cs1	587020546	CJYCHSQFSSMTID-UHFFFAOYSA-N	325.353	3.898	5	1	EHBF	
CN(C)CCNC(=O)c1cccc2cc3sc4ccccc4c3nc12	26170705	PSIZGLZREKXASE-UHFFFAOYSA-N	349.459	3.894	5	1	EHBF	
C[N+]12CCC(OC(=O)Nc3ncsc3-c3ccccc3)(CC1)CC2	168708964	BQIOIBVODMJGGO-UHFFFAOYSA-O	344.460	3.742	5	1	EHBF	
O=[N+]([O-])c1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1	14955	KONVQDMKRAUAHT-UHFFFAOYSA-N	326.396	3.886	5	1	EHBF	
COc1ccc(-n2c(O)cc(Nc3cccc([N+](=O)[O-])c3)c2O)cc1	169688148	ZISBHCUPAXOKHI-UHFFFAOYSA-N	341.323	3.549	5	1	EHBF	
Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1	586893693	WLBKOZRRWSPZLF-QLJPJBMISA-N	329.331	3.756	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C)ccc1[N+](=O)[O-])O2	587391381	WIIKGIBLMWLIAA-GOSISDBHSA-N	326.352	3.674	5	1	EHBF	
Cc1cc(Cl)cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c12	587268446	YKYDPLJHEIYSLB-UHFFFAOYSA-N	333.779	3.801	5	1	EHBF	
CS[C@]1(C)C(=O)Nc2c(OCc3ccccc3)cc([N+](=O)[O-])cc21	6004756	GILSTAGPKOKDLC-KRWDZBQOSA-N	344.392	3.704	5	1	EHBF	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2C)cc1	103186993	LLHOQDOAYGQDNZ-GZTJUZNOSA-N	349.346	3.604	5	1	EHBF	
CCN(CC)CCN1C(=O)c2c(c3ccccc3c3ccccc23)C1=O	29124382	HLYUNJAVZYLGRR-UHFFFAOYSA-N	346.430	3.931	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)c([N+](=O)[O-])c1)O2	587382465	RQTSRPQTVBRXLI-QGZVFWFLSA-N	330.315	3.505	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2cc1Cl	586902249	KIGAKIIXFYPMAS-BONVTDFDSA-N	329.743	3.694	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1F	587081395	UPIWFGMGANWTJS-CQSZACIVSA-N	333.706	3.940	5	1	EHBF	
C[N+](C)(C)CCO[P@](=O)(O)OCCCCC=C1CCCCC1	27870372	KQTOOAFUGCFENW-UHFFFAOYSA-O	334.417	3.887	5	1	EHBF	
O=c1oc2cc(OCCCOc3ccc([N+](=O)[O-])cc3)ccc2s1	103168253	BMVNLPONBVZRKV-UHFFFAOYSA-N	347.348	3.611	5	1	EHBF	
O=C(c1ccc([N+](=O)[O-])cc1)n1nc2cc1Oc1ccc(F)cc1-2	587874562	FITKQVLRYFWTOP-UHFFFAOYSA-N	325.255	3.392	5	1	EHBF	
COc1cc(-c2nc3cc(C)c(C)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	587260950	MOVOPNYVFLYZMQ-UHFFFAOYSA-N	327.340	3.772	5	1	EHBF	
CC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587432744	LMVNYGLKNDWPKN-DNVCBOLYSA-N	339.347	3.656	5	1	EHBF	
COC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12	587645472	WFJULXZHHHGDCI-UHFFFAOYSA-N	338.188	3.517	5	1	EHBF	
O=[N+]([O-])c1cc(O)ccc1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12	963118506	ZPGIYPIGFLQYCO-ACJLOTCBSA-N	328.343	3.549	5	1	EHBF	
COc1ccc(C[C@@H]2c3c(C)cccc3CC[N+]2(C)C)cc1OC	13648578	GGUYFWPRAKHTRR-GOSISDBHSA-N	326.460	3.929	5	1	EHBF	
CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2ccccc12	73129369	LPXMVQSQRUPOAF-UHFFFAOYSA-N	331.419	3.766	5	1	EHBF	
COc1c2c(c3oc4c(O)cccc4c(=O)c3c1O)C=CC(C)(C)O2	95909988	ZIEUXPKJRAAADX-UHFFFAOYSA-N	340.331	3.550	5	1	EHBF	biogenic,in-vitro
O=[N+]([O-])c1ccc(-c2nn(CNc3ccccc3)c(=S)o2)cc1	103290902	AFEQMSAZHXUFPE-UHFFFAOYSA-N	328.353	3.850	5	1	EHBF	
COc1cc([N+](=O)[O-])c(F)cc1[C@H]1NCCc2c1sc(C)c2C	963008132	JPMFYBYKGJQZQJ-OAHLLOKOSA-N	336.388	3.656	5	1	EHBF	
O=[N+]([O-])c1cc(Br)cc2nc(-c3occ4c3CCC4)[nH]c12	586905239	IAYVGQUMANPARB-UHFFFAOYSA-N	348.156	3.982	5	1	EHBF	
CN(C)CCCCCNc1ccc2ncn3c4ccccc4c(=O)c1c23	100933665	CWBRVRDRRPWNKO-UHFFFAOYSA-N	348.450	3.583	5	1	EHBF	
CC(=O)n1c2ccccc2c2cc(-c3ccc([N+](=O)[O-])cc3)nnc21	221009903	KZCXLJIGJNVCMQ-UHFFFAOYSA-N	332.319	3.820	5	1	EHBF	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc([N+](=O)[O-])cc2[nH]1	587116529	GFUCKCMZNFTGPB-UHFFFAOYSA-N	345.668	3.544	5	1	EHBF	
O=[N+]([O-])c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1	587134242	KWOWWMCBIOQLRU-UHFFFAOYSA-N	343.261	3.983	5	1	EHBF	
O=[N+]([O-])c1ccc2c(-n3cncn3)c(-c3ccc(F)cc3F)[nH]c2c1	587645406	ALDZIQFMDJXJMA-UHFFFAOYSA-N	341.277	3.602	5	1	EHBF	
COc1cc2ccc3c4ccc5c(c4c[n+](C)c3c2cc1OC)OCO5	95558925	GCMRCOZBMXMOLR-UHFFFAOYSA-N	348.378	3.717	5	1	EHBF	
N=c1cc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c[nH]1	587271805	IYQYOBRRPYDATK-UHFFFAOYSA-N	347.334	3.738	5	1	EHBF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(O)cc([N+](=O)[O-])c2)N1	962940559	CXASDLOARGLWHT-XIKOKIGWSA-N	337.379	3.795	5	1	EHBF	
Cc1ccccc1Nc1ncn(CC(=O)c2ccccc2)c1[N+](=O)[O-]	40918058	CSDJWXYQEAJQBI-UHFFFAOYSA-N	336.351	3.726	5	1	EHBF	
O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2O)Oc2c1ccc1c2CCCC1	587514578	ZUZPTSSUMSWUNW-SFHVURJKSA-N	339.347	3.886	5	1	EHBF	
O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\c1cccc2cccnc12	102463229	ZRUDSSGAUYGCTG-CAPFRKAQSA-N	333.303	3.827	5	1	EHBF	
Cc1ncc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(C)c1Br	586979130	HNCBXDBPJXXQQB-UHFFFAOYSA-N	347.172	3.912	5	1	EHBF	
CC[C@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2cc(C)cc(N)c2O1	587388585	DLURMUNHJAQARG-GOSISDBHSA-N	326.352	3.756	5	1	EHBF	
COc1ccccc1/N=c1\oc2ccc3ccccc3c2cc1C(N)=O	194694	KCOMPQVJUCQBJK-LNVKXUELSA-N	344.370	3.926	5	1	EHBF	
Cc1cc2[nH]c(CC(=O)Nc3cccc(C)c3C)nc2cc1[N+](=O)[O-]	587238830	GEXHMKAMVZCISQ-UHFFFAOYSA-N	338.367	3.578	5	1	EHBF	
COc1ccc(-c2c(C)[nH]c3c(C(=O)O)cccc23)c([N+](=O)[O-])c1	587638152	LXZSZCWUUMCCET-UHFFFAOYSA-N	326.308	3.758	5	1	EHBF	
COc1cc2c3c(c1)O[C@](C)(c1cc(C)ccc1[N+](=O)[O-])[C@@H](C2)C3=O	587431252	DBDVPDBELPJSHB-IFXJQAMLSA-N	339.347	3.575	5	1	EHBF	
O=c1[nH]ccc2c(Nc3c(F)cc(F)cc3F)nc3ccncc3c12	103239743	IEKOMPUUUZHZLO-UHFFFAOYSA-N	342.280	3.632	5	1	EHBF	
COc1cc(OCc2nc3c(C)ccc(C)c3[nH]2)ccc1[N+](=O)[O-]	587262878	GHCKACIKRVVMHH-UHFFFAOYSA-N	327.340	3.676	5	1	EHBF	
O=C(Nc1ccccc1Cl)c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1	587060283	JSCBJQGKWVCSME-UHFFFAOYSA-N	334.694	3.516	5	1	EHBF	
C[C@H](CSc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587171502	NIZBHHCZVYUJAK-SECBINFHSA-N	332.360	3.901	5	1	EHBF	
CC[C@H]1CCCC[C@@H]1Nc1nc(C)c([N+](=O)[O-])c(-n2ccnc2C)n1	28821460	VYSZBPLKBJHXJA-KBPBESRZSA-N	344.419	3.568	5	1	EHBF	
CC(=O)Nc1cccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(C)=O)c1	587647092	PONQFGBXLVYUPZ-UHFFFAOYSA-N	337.335	3.904	5	1	EHBF	
O=[N+]([O-])c1c(Br)ccc2nc(C(F)(F)C(F)F)[nH]c12	587089286	OVPWLGTYCDSXAT-UHFFFAOYSA-N	342.046	3.591	5	1	EHBF	
CN(C)Cc1ccc(-c2ccc(Nc3[nH]ccc3[N+](=O)[O-])cc2)o1	100963915	YBFZUVTZSXFCMB-UHFFFAOYSA-N	326.356	3.988	5	1	EHBF	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)c1coc3cc([N+](=O)[O-])ccc13)OC2=O	587279766	RIMSHSPTILQOET-MSOLQXFVSA-N	343.335	3.646	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@@H](c1ccccc1[N+](=O)[O-])CC2=O	587473256	RQYPLSZUHPBVDP-QGZVFWFLSA-N	327.336	3.959	5	1	EHBF	
Cc1nc2ccc(C)c(Sc3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]1	13826169	OJTJUBMLBHMYFG-UHFFFAOYSA-N	327.365	3.599	5	1	EHBF	
O=c1c2ccccc2oc2ccc(OCCO[C@@H]3CCCCO3)cc12	29544307	RDQXPRFETTXEAT-LJQANCHMSA-N	340.375	3.868	5	1	EHBF	
COc1cc2ccn3cc4cc(OC)c(=O)cc-4cc3c2cc1OC	377841281	PZDNJXFQCDKSOL-UHFFFAOYSA-N	335.359	3.583	5	1	EHBF	
O=C(O)Cc1c(-c2cc(Cl)ccc2O)[nH]c2cc([N+](=O)[O-])ccc12	587645081	UPOUAZKRPQSIMY-UHFFFAOYSA-N	346.726	3.729	5	1	EHBF	
O=C1NC(=O)c2c1c1c(ccc3cc[nH]c31)c1[nH]c3ccccc3c21	3144	DYGQMQPINIGYEV-UHFFFAOYSA-N	325.327	3.839	5	1	EHBF	
C[C@H]1CCO[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C1	586917652	UJWCGISGTAHQQV-XVKPBYJWSA-N	340.177	3.721	5	1	EHBF	
Nc1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc2ccccc12	587253555	LUVPYJWSXRWAIL-UHFFFAOYSA-N	349.306	3.782	5	1	EHBF	
COCCNc1ccc(-c2nc3cccc(Cl)c3[nH]2)cc1[N+](=O)[O-]	587262095	OCJZYTQJSGDPRA-UHFFFAOYSA-N	346.774	3.850	5	1	EHBF	
O=c1c2cc(Cl)ccc2cnn1-c1ccc([N+](=O)[O-])cc1Cl	587651428	SWWOBPGVLJSCNP-UHFFFAOYSA-N	336.134	3.601	5	1	EHBF	
Cc1ncc([N+](=O)[O-])n1/C(=C/c1ccc(Cl)cc1Cl)[C@H](C)O	1857766890	LJFRUBOZPHYNMJ-XEPABTDDSA-N	342.182	3.785	5	1	EHBF	
O=C1NC(=O)c2c1c1c(ccc3cc[nH]c31)c1[nH]c3cc(O)ccc3c21	13534975	PHEMXOLLNFYYLK-UHFFFAOYSA-N	341.326	3.545	5	1	EHBF	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(F)c(F)c(F)c2[nH]1	587158726	GJYWAJVZYDTWBE-UHFFFAOYSA-N	341.220	3.607	5	1	EHBF	
COc1c2c(cc3c(=O)c4cccc(O)c4n(C)c13)C=CC(C)(C)O2	2356341425	OVVOORPIIJOMON-UHFFFAOYSA-N	337.375	3.590	5	1	EHBF	
Nc1ccccc1-c1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1	587248711	CEWKEWOCWLHSOU-UHFFFAOYSA-N	331.335	3.782	5	1	EHBF	
O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cncnc4[nH]3)c2)cc1	587272259	QSDCOGQMCSBTBS-UHFFFAOYSA-N	333.307	3.720	5	1	EHBF	
COc1cc2c3c(c1)O[C@@](C)(c1c(C)cccc1[N+](=O)[O-])[C@@H](C2)C3=O	587432236	ITDLEDQOFSXQIA-ORAYPTAESA-N	339.347	3.575	5	1	EHBF	
O[C@@H]1c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@@H]2O[C@H]2[C@@H]1O	254043359	LBOOERJKINPNNR-CZYKHXBRSA-N	328.367	3.994	5	1	EHBF	
O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ncc[nH]c-4n3)c2)cc1	587271733	HQJJVJXJGDQQEA-UHFFFAOYSA-N	333.307	3.672	5	1	EHBF	
CCCCNCCCCCn1nc(OC)c2cc([N+](=O)[O-])ccc21	40938705	MSXHZFZZTVPJMC-UHFFFAOYSA-N	334.420	3.513	5	1	EHBF	
Cc1ccc(OCCOc2ccccc2C(F)(F)F)c([N+](=O)[O-])n1	66157082	XDHPIBNYMNWYML-UHFFFAOYSA-N	342.273	3.775	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3ccc([N+](=O)[O-])cc13)O2	587390944	SPSICCWIANRNBU-KRWDZBQOSA-N	337.335	3.673	5	1	EHBF	
O=C(c1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F	587645464	VYSJJZBOOGLTKN-UHFFFAOYSA-N	335.241	3.883	5	1	EHBF	
O=[N+]([O-])c1cc2nc(C34CCC(CO)(CC3)CC4)[nH]c2cc1Cl	586895525	LGTGIOPCEYDGPY-UHFFFAOYSA-N	335.791	3.709	5	1	EHBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(Oc3ccccc3)cc2[nH]1	587273666	JXJYNDYUOOEMAH-UHFFFAOYSA-N	349.350	3.817	5	1	EHBF	
O=[N+]([O-])c1ccc(Oc2c(F)c(F)nc(N3CCCC3)c2F)cc1	7045276	XJSRCCRSUGSRGR-UHFFFAOYSA-N	339.273	3.800	5	3	EHBF	
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c2ccccc12	216554932	AUKDUMNDZVTYRV-UHFFFAOYSA-N	328.349	3.549	5	1	EHBF	
CCCCn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1	84669464	RYQLREUATKVWSH-UHFFFAOYSA-N	325.368	3.560	5	1	EHBF	
O=[N+]([O-])c1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1	96285116	GMBJUVLCPNNWJY-UHFFFAOYSA-N	336.395	3.589	5	1	EHBF	
Cc1c(NC(N)=O)cccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587240368	UANAKUKELPDMEN-UHFFFAOYSA-N	345.746	3.591	5	1	EHBF	
O=c1ccc2c3c(cc[n+]2Cc2ccccc2F)c2ccccc2n13	653806091	WRVOFKKHQOXPKL-UHFFFAOYSA-N	329.354	3.519	5	1	EHBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc4ncccc4c3[nH]2)c1	587261754	HRFNIZSUQYOYSO-UHFFFAOYSA-N	348.362	3.949	5	1	EHBF	
O=[N+]([O-])c1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1F	587115656	UWUOQGLMLCFASP-UHFFFAOYSA-N	326.209	3.691	5	1	EHBF	
O=C1C[C@H](c2cc([N+](=O)[O-])ccc2O)Oc2c1ccc1c2CCCC1	587512476	OMVMGKPNPXCVJS-GOSISDBHSA-N	339.347	3.886	5	1	EHBF	
Cc1ccccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1N1CCOCC1	587649492	VWYBWFYJJBINBC-UHFFFAOYSA-N	337.379	3.888	5	1	EHBF	
CC(C)(C)c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)cc1	653804910	LEOJLNUIQLCILI-UHFFFAOYSA-N	343.427	3.808	5	1	EHBF	
CN(C)c1ncccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1	587195902	NVGVJFGHHLCMCV-UHFFFAOYSA-N	340.390	3.787	5	1	EHBF	
Cc1cc(C)c2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1	587263901	HRAVTQOVGPRSFV-UHFFFAOYSA-N	326.312	3.587	5	1	EHBF	
C[C@@H]1c2cncc(C(=O)O)c2C[C@H]2c3[nH]c4ccccc4c3CC[N+]21C	85945495	PVUXNUZAOQZUCV-RRXLFJKJSA-O	348.426	3.622	5	1	EHBF	
O=[N+]([O-])c1c(O)oc2ccccc2/c1=N/Cc1ccc(Cl)cc1	101605823	BJXKLMRSJJNUKT-JXAWBTAJSA-N	330.727	3.801	5	1	EHBF	
Cc1cc(Cl)ccc1OCCCc1nc2cc([N+](=O)[O-])cnc2[nH]1	587065942	FVVACJLJNNALDZ-UHFFFAOYSA-N	346.774	3.840	5	1	EHBF	
C[C@H]1C[C@H](C)CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C1	28960256	RXWSPCMNUBQQNB-STQMWFEESA-N	343.383	3.922	5	1	EHBF	
COc1cccc2c(=O)c3cc4c(c(O)c3oc12)OC(C)(C)CC4	96928326	OWNXHVHRNBJTAS-UHFFFAOYSA-N	326.348	3.764	5	1	EHBF	
O=[N+]([O-])c1cnc2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1	587049034	GHPWPXMNUBPFLA-RQOWECAXSA-N	345.702	3.598	5	1	EHBF	
COc1nccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12	587269339	BERKYKVMVKCBFC-UHFFFAOYSA-N	347.334	3.604	5	1	EHBF	
O=C(c1cnc(Cl)nc1Cl)c1coc2cc([N+](=O)[O-])ccc12	587280329	TYVIOSNBDUIPNW-UHFFFAOYSA-N	338.106	3.669	5	1	EHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc(F)cc1F	587646254	YLJPVPGSKYLFRZ-UHFFFAOYSA-N	331.278	3.915	5	1	EHBF	
Cc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1C	587264281	KVXHXWMVGVHRHI-UHFFFAOYSA-N	326.312	3.587	5	1	EHBF	
CC1(C)Oc2c(c3nc4c(nc3c3ccccc23)CCCC4)C[C@H]1O	40576281	LYHUNAJWCXAXSR-QGZVFWFLSA-N	334.419	3.736	5	1	EHBF	
O=[N+]([O-])c1cc(/C=C\c2nc3nc(Cl)c[nH]c-3n2)ccc1Cl	587047311	GEXOKAQHEMJDDM-RQOWECAXSA-N	336.138	3.690	5	1	EHBF	
CN(C)[C@H](c1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587164119	QZUUILPJNFFLGW-OAHLLOKOSA-N	348.765	3.915	5	1	EHBF	
O=C(O)C(=O)CC(=O)c1ccc2ccc3c(Cl)cccc3c2c1	96937907	XZYFZGBUXRDCMO-UHFFFAOYSA-N	326.735	3.873	5	1	EHBF	
CCOC(=O)c1c(Cc2cccc(F)c2)[nH]c2cccc([N+](=O)[O-])c12	587645664	GZSFKPDKNBYURO-UHFFFAOYSA-N	342.326	3.983	5	1	EHBF	
CC(C)(O)[C@@H]1Cc2c(c3ccccc3c3nc4c(nc23)CCCC4)O1	40810638	PVUIZXPICIJQME-KRWDZBQOSA-N	334.419	3.736	5	1	EHBF	
O=[N+]([O-])c1cccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12	587134776	OLDYRSVDZDENLI-UHFFFAOYSA-N	343.261	3.983	5	1	EHBF	
Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2Cn2cncn2)cc1	587648036	YOJJSHQMYFQUFI-UHFFFAOYSA-N	333.351	3.691	5	1	EHBF	
Cc1cc2[nH]c(/C=C/C(=O)Nc3ccc(F)cc3)nc2cc1[N+](=O)[O-]	587166693	GHGPFOXBLAJCJS-VOTSOKGWSA-N	340.314	3.571	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])c(Cl)c1)O2	587377801	ZHMJATYLSRCNCK-OAHLLOKOSA-N	332.743	3.845	5	1	EHBF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N1	962938974	AZIYIGHBNIGIKC-DJJJIMSYSA-N	349.390	3.924	5	1	EHBF	
COc1cc2c(=O)c3c(O)c(CC=C(C)C)c(O)cc3oc2cc1O	13539011	LBXDNAOQXNHFGW-UHFFFAOYSA-N	342.347	3.580	5	1	EHBF	
COc1c(CC[C@H](C)C(=O)O)ccc2c(=O)c3ccccc3oc12	14693253	XCWHZYQHZCFGTC-NSHDSACASA-N	326.348	3.608	5	1	EHBF	biogenic,in-vitro
O=c1c2ccccc2oc2ccc3[nH]c(CN4CCCCC4)nc3c12	29057187	LHEZRQRDFWTUQH-UHFFFAOYSA-N	333.391	3.808	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3ncccc3c1[N+](=O)[O-])O2	587389640	MGJSODFFRQKQEL-QGZVFWFLSA-N	349.346	3.740	5	1	EHBF	
O=[N+]([O-])c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1	587949773	BICZJDXYEOIUAF-UHFFFAOYSA-N	327.384	3.957	5	1	EHBF	
C[C@H]1C(=O)CC[C@H]1Cc1nc2c3cccnc3c3ncccc3c2[nH]1	587963238	LXCVLWFDMKLLAK-NEPJUHHUSA-N	330.391	3.817	5	1	EHBF	
Cc1ccc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1	103177760	PKKWOBKFSNGXER-UHFFFAOYSA-N	340.788	3.666	5	1	EHBF	
CC(=O)Nc1ccc2cc3[nH]c4cc(NC(C)=O)ccc4c3nc2c1	1652488	ZGSIPZVHOSDLSZ-UHFFFAOYSA-N	332.363	3.786	5	1	EHBF	
CCCNc1ccc(C(=O)Nc2cccc(OC)c2)cc1[N+](=O)[O-]	66073880	BBLFMTCZYCXMQX-UHFFFAOYSA-N	329.356	3.678	5	1	EHBF	
COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1	13372797	ULUIZAWUYYRGPI-LJQANCHMSA-N	342.459	3.629	5	1	EHBF	biogenic
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)c(F)cc2[nH]1	587270053	JACWBMKLCLASGM-LBPRGKRZSA-N	334.738	3.506	5	1	EHBF	
CN(C)CCCN=c1c2ccccc2n(C)c2c1oc1ccccc12	53175219	LUUXUPREJFYBLU-UHFFFAOYSA-N	333.435	3.930	5	1	EHBF	
O=C(O)CCc1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12	587645843	MBUGKDRBPCIYAV-UHFFFAOYSA-N	328.299	3.899	5	1	EHBF	
CNn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3	2356803363	XAMQWADPKWJWBZ-UHFFFAOYSA-N	340.386	3.846	5	1	EHBF	
N=C1Sc2cc(-c3cccc([N+](=O)[O-])c3)ccc2C2=NCCCN12	95575577	ZPYLZYANYQLWTN-UHFFFAOYSA-N	338.392	3.755	5	1	EHBF	
Cc1coc2c1c(=O)oc1c3cccc(OCCN(C)C)c3ccc21	45364857	RIWQVUQRQKHOAS-UHFFFAOYSA-N	337.375	3.941	5	1	EHBF	
O=C(CCc1ccccc1)c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1	587953938	XPZXIGIDICMBPQ-UHFFFAOYSA-N	329.743	3.940	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc([N+](=O)[O-])c1O)O2	587378853	QUYAQYHSHZJHDO-CQSZACIVSA-N	348.742	3.551	5	1	EHBF	
COc1cc2cc(OC)c3cc4c(cc3c2c(OC)c1OC)OCO4	1630899	VEMAQVIELLSCKY-UHFFFAOYSA-N	342.347	3.756	5	1	EHBF	
Cc1cc2[nH]c(-c3cnc4c(F)cccc4c3N)nc2cc1[N+](=O)[O-]	587177037	ZYTQWFCXFHSUJD-UHFFFAOYSA-N	337.314	3.716	5	1	EHBF	
O=C(c1ccc(Br)o1)c1coc2cc([N+](=O)[O-])ccc12	587279695	OUJMELPHXPNTJZ-UHFFFAOYSA-N	336.097	3.928	5	1	EHBF	
COc1cc2c(cc1OC)[C@@H](c1ccsc1[N+](=O)[O-])N(C)[C@@H](C)C2	962623971	CTQIIOWDXUBCDL-MGPLVRAMSA-N	348.424	3.639	5	1	EHBF	
COc1ccc2c[n+](C)c3c4cc5c(cc4ccc3c2c1OC)OCO5	169488345	TZJGMJCNKZKQBJ-UHFFFAOYSA-N	348.378	3.717	5	1	EHBF	
CC(C)(C)c1cc(I)c2c(c1)C[N+](C)(C)CO2	40510696	DAQWTAXOSJRBLT-UHFFFAOYSA-N	346.232	3.515	5	1	EHBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)c(Cl)cc2[nH]1	587275828	GZCLYBAIQHJPJB-SSDOTTSWSA-N	340.170	3.778	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc([N+](=O)[O-])c1F)O2	587386648	VWJJMIOBSQQBRK-QGZVFWFLSA-N	330.315	3.505	5	1	EHBF	
C[C@@]12C[C@H]1C(c1cccc([N+](=O)[O-])c1)(c1cccc([N+](=O)[O-])c1)N=N2	102941240	BMUYEZQNLCZIIN-HZPDHXFCSA-N	338.323	3.991	5	1	EHBF	
Cc1cc(O)c2c(=O)c3c(O)c(Cl)cc(Cl)c3oc2c1O	13451787	LIPWEXXIXSWDTF-UHFFFAOYSA-N	327.119	3.678	5	1	EHBF	biogenic
O=[N+]([O-])c1cncc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12	587109288	GRZMYLHHKJVIES-UHFFFAOYSA-N	326.209	3.691	5	1	EHBF	
COc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cn1	587270321	MDFFPMCBRSUKJB-UHFFFAOYSA-N	347.334	3.604	5	1	EHBF	
COc1ccc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(F)c1	587150011	YARDKWXERQUXRN-UHFFFAOYSA-N	335.722	3.863	5	1	EHBF	
COC(=O)Cc1[nH]c2cc(F)ccc2c1-c1cccc([N+](=O)[O-])c1	587634996	CLKKHAXTGKYTJQ-UHFFFAOYSA-N	328.299	3.598	5	1	EHBF	
Cc1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1C	587091596	GNEVCAWULHQKPV-UHFFFAOYSA-N	339.277	3.514	5	1	EHBF	
C[C@@]1(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]2CCCC[C@@H]21	5955553	RNBHHMHAYSEBMU-JMPLFQLZSA-N	334.328	3.629	5	1	EHBF	
O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)[C@H](O)[C@@H](O)C=C4	6094393	WDHBKPKURFBUFF-PXNSSMCTSA-N	331.327	3.913	5	1	EHBF	
O=[N+]([O-])c1cccc(-c2cc(NCCc3ccccc3F)ncn2)c1	82160197	NBRIHOXIAXNRFL-UHFFFAOYSA-N	338.342	3.846	5	1	EHBF	
C[N+]12CCC(CC1)[C@@H](OC(=O)C1(C3=CC=CC3)CCCCCC1)C2	103279960	LHTBYFHEOLPZFV-OZWAEMERSA-N	330.492	3.995	5	1	EHBF	
CC[C@@H]1C[N+]2(C[C@@H](O)c3ccnc4ccc(OC)cc34)CCC1CC2	169338013	VSYLYJZAYCHMJI-DLKXSKQHSA-N	341.475	3.543	5	1	EHBF	
Cc1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2n1	586979644	HGOKOZBYSBLAEU-UHFFFAOYSA-N	347.172	3.912	5	1	EHBF	
CCc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1Br	586976869	IAXMQVMJSXLVNM-UHFFFAOYSA-N	347.172	3.858	5	1	EHBF	
O=C(O)c1[nH]c2cccc([N+](=O)[O-])c2c1-c1cnn(-c2ccccc2)c1	587647007	CCZIJKIDJRSWBB-UHFFFAOYSA-N	348.318	3.627	5	1	EHBF	
C[C@]12C[C@H]1C(c1cccc([N+](=O)[O-])c1)(c1cccc([N+](=O)[O-])c1)N=N2	5922258	BMUYEZQNLCZIIN-CVEARBPZSA-N	338.323	3.991	5	1	EHBF	
O=[N+]([O-])c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1	71317854	QMBCKMBMGKATJW-UHFFFAOYSA-N	328.368	3.862	5	1	EHBF	
O[C@@H]1c2c(ccc3cc4c(ccc5ccccc54)cc23)[C@@H]2O[C@@H]2[C@@H]1O	169354174	LBOOERJKINPNNR-YUMYIRISSA-N	328.367	3.994	5	1	EHBF	
COC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12	587646253	YIZBBONDDPAKRI-UHFFFAOYSA-N	328.299	3.598	5	1	EHBF	
O=C(OCc1ccccc1)c1coc(-c2ccc(F)c([N+](=O)[O-])c2)n1	49784615	FHJUYGXDTCLPQY-UHFFFAOYSA-N	342.282	3.746	5	1	EHBF	
N=c1[nH]ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc12	587272544	VAGSZAAYUNQIIA-UHFFFAOYSA-N	347.334	3.738	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1[N+](=O)[O-])O2	587379219	TYSGEZCEKURKMG-OAHLLOKOSA-N	332.743	3.845	5	1	EHBF	
O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccc(O)cc3c21	1857773160	ZRXIUWDFOIRCIZ-UHFFFAOYSA-N	327.343	3.905	5	1	EHBF	
Cc1cc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2cc1[N+](=O)[O-]	587016791	NTYZZHLAXHODFC-CYBMUJFWSA-N	330.369	3.755	5	1	EHBF	
Cc1c(-c2nc3cncc(Br)c3[nH]2)cccc1[N+](=O)[O-]	587260992	OOJPTJBXDPUPGV-UHFFFAOYSA-N	333.145	3.604	5	1	EHBF	
COc1ccc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)cc1	587646677	GVACSBNMQHQSML-UHFFFAOYSA-N	325.324	3.645	5	1	EHBF	
CC(C)(C)OC(=O)N1[C@@H](/C=C\c2ccc([N+](=O)[O-])cc2)COC1(C)C	113977185	WLIKPKSOCKMSQK-QIENPNARSA-N	348.399	3.980	5	1	EHBF	biogenic
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)cccc1[N+](=O)[O-])O2	587388881	HEDBWKLWWGNWIS-SFHVURJKSA-N	326.352	3.674	5	1	EHBF	
Cn1cc([N+](=O)[O-])cc1-c1nnc(-c2cc3cc(Cl)ccc3[nH]2)o1	103287106	GQKQUNDLHZVETQ-UHFFFAOYSA-N	343.730	3.785	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cccc([N+](=O)[O-])c3n1)O2	587388473	COLXTZZOFQCKNK-KRWDZBQOSA-N	349.346	3.740	5	1	EHBF	
COc1cc(Cl)ccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587066973	XFGSJFLYLYVWIZ-UHFFFAOYSA-N	348.702	3.708	5	1	EHBF	
O=[N+]([O-])c1ccc(Nc2ccc3nc(O)[nH]c3c2)c(C(F)(F)F)c1	1772630822	UVAACYFOGMUNTD-UHFFFAOYSA-N	338.245	3.939	5	1	EHBF	
O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1noc2ccccc12	206035415	XIFCWDKQOAFQLI-OAHLLOKOSA-N	337.335	3.713	5	3	EHBF	
COc1cc2oc3c(OC)ccc4ccnc(c(=O)c2cc1OC)c43	1610297	AGKDNGLOUYCNMU-UHFFFAOYSA-N	337.331	3.520	5	1	EHBF	biogenic
COc1cc(O)c2c(=O)c3cccc(O)c3oc2c1CC=C(C)C	14819734	YKXSGPQPEYBPPA-UHFFFAOYSA-N	326.348	3.875	5	1	EHBF	biogenic
COc1cnc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1Cl	587064280	HZGRGDNZRKYESU-UHFFFAOYSA-N	339.138	3.849	5	1	EHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cc(Cl)ccc1O	587644447	DFIDHCZNSNHLIU-UHFFFAOYSA-N	330.727	3.975	5	1	EHBF	
O=[N+]([O-])c1ccc(Nc2ccc3nc(O)[nH]c3c2)c(Br)c1	1772610488	KJQNBZJSLMGWDF-UHFFFAOYSA-N	349.144	3.683	5	1	EHBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(C)cc(F)c3[nH]2)c1	587262842	YVWXWTWAHARHKN-UHFFFAOYSA-N	329.331	3.849	5	1	EHBF	
O=[N+]([O-])c1cccc(-c2cc([C@@H]3C[C@H]4CC[C@H]3N4)cnc2Cl)c1	328577331	PIJBUFHMIMFCEN-IVMMDQJWSA-N	329.787	3.918	5	1	EHBF	in-vitro
O=C(c1ccco1)c1c(-c2ccccn2)[nH]c2cccc([N+](=O)[O-])c12	587648846	MMJFHIDEOOWPOL-UHFFFAOYSA-N	333.303	3.962	5	1	EHBF	
O=C(c1c(-c2ccccn2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F	587645231	LMNULWCVPFNEJA-UHFFFAOYSA-N	335.241	3.883	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2cc1[N+](=O)[O-]	587162040	GWBUUBBLOKZIBI-GHMZBOCLSA-N	342.286	3.790	5	1	EHBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(F)c(F)c3[nH]2)c1	587262355	PYEQQKWFAFZBII-UHFFFAOYSA-N	333.294	3.679	5	1	EHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)NCCCc1ccccc1	587647156	SDGYVDLDLZKVDU-UHFFFAOYSA-N	337.379	3.747	5	1	EHBF	
Nc1nc2oc3cc(C4CCCCC4)ccc3c(=O)c2cc1C(=O)O	1857654865	GZYNTHMFEOIQMO-UHFFFAOYSA-N	338.363	3.669	5	1	EHBF	
COc1cc(CC[N+](C)(C)[O-])c2c(c1OC)[C@@H]1C=CC=C[C@@H]1C=C2	40864987	JXRWQIQJOZZSLA-GDBMZVCRSA-N	327.424	3.673	5	1	EHBF	
CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1O)CC2=O	587472706	LDIROPDIHNRPOV-KRWDZBQOSA-N	343.335	3.665	5	1	EHBF	
COc1ccc(Cl)cc1/N=c1\c([N+](=O)[O-])c(O)oc2ccccc12	621471728	AHYXSMQFNQOHAO-JXAWBTAJSA-N	346.726	3.941	5	1	EHBF	
Cc1ccnc2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc12	587269277	KDRNZDJSQOJVNZ-UHFFFAOYSA-N	331.335	3.904	5	1	EHBF	
COC(=O)c1c(Cc2ccc(F)c(F)c2)[nH]c2cc([N+](=O)[O-])ccc12	587646134	UGRKHUSDROZEMY-UHFFFAOYSA-N	346.289	3.732	5	1	EHBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(F)cnc2[nH]1	587110048	QXZYGXNMPYFDGG-UHFFFAOYSA-N	340.236	3.615	5	1	EHBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(C)(C)C)cc3[nH]2)[C@H]1C[N+](=O)[O-]	587265314	WCDLDPIIBDIAQF-BNOWGMLFSA-N	343.427	3.521	5	1	EHBF	
Cc1cc(N(C)Cc2nc3ccc(F)cc3[nH]2)c([N+](=O)[O-])cc1F	587137386	XRBBCJMYFPLMMO-UHFFFAOYSA-N	332.310	3.694	5	1	EHBF	
O=C(c1ccccn1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12	587645306	PCIQUAFYBSPLAZ-UHFFFAOYSA-N	335.241	3.721	5	1	EHBF	
CCOC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1cccc(F)c1	587645407	APVVFKBPWWGVGC-UHFFFAOYSA-N	342.326	3.988	5	1	EHBF	
O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2CC[C@@H]3O2)c2ccccc12	169727208	MQRBVUDXEAGBPG-OKILXGFUSA-N	338.319	3.856	5	1	EHBF	
Cc1cc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2cc1[N+](=O)[O-]	587034127	DJQLMPXQUBPMEE-AWEZNQCLSA-N	329.381	3.698	5	1	EHBF	
Cc1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)cccc1[N+](=O)[O-]	587261223	ZKKTZOQQXORYLJ-UHFFFAOYSA-N	325.324	3.608	5	1	EHBF	
COc1cccc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c1	587647507	ZTSMPRUAHSMULB-UHFFFAOYSA-N	325.324	3.645	5	1	EHBF	
Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1cccs1	12354043	JRQQNOLNICYJLG-QGZVFWFLSA-N	343.408	3.967	5	1	EHBF	
COc1ccc2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2c1	95485916	ZERDCOUIFAVYNO-UHFFFAOYSA-N	326.348	3.875	5	1	EHBF	biogenic,in-vitro
O=[N+]([O-])c1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1Cl	586917430	FEAISJVCNHXVJZ-AWEZNQCLSA-N	331.715	3.637	5	1	EHBF	
O=[N+]([O-])c1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1F	587035135	LVZAUVCZOUJLIP-CYBMUJFWSA-N	333.344	3.528	5	1	EHBF	
CC(C)(C)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2n1	587159589	SUDJPRDGUKHGHR-UHFFFAOYSA-N	344.346	3.882	5	1	EHBF	
COc1ccc(C[C@@H]2c3c(cccc3OC)CC[N+]2(C)C)cc1OC	13648596	FBZSSIGVCCAGPO-QGZVFWFLSA-N	342.459	3.629	5	1	EHBF	
Cc1ccc(/C=C\c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1F	587146531	PFPUUSRJXJEJIP-PLNGDYQASA-N	342.286	3.997	5	1	EHBF	
COc1cccc(OCC(=O)c2coc3cc([N+](=O)[O-])ccc23)c1	587279021	DNUFYRWBRYBZMJ-UHFFFAOYSA-N	327.292	3.611	5	1	EHBF	
C[N+](C)([O-])CCc1cc2c(c3c1ccc1c(O)cccc13)OCO2	14715586	IQSFITRGEYXTRT-UHFFFAOYSA-N	325.364	3.544	5	1	EHBF	
COc1ccc2c3ccc4cc5c(cc4c3n(C)c(C)c-2c1=O)OCO5	26382511	SCZCWLMDEGGRRO-UHFFFAOYSA-N	347.370	3.842	5	1	EHBF	
CCOC(=O)c1ccc(NCCCc2ccccc2[N+](=O)[O-])cc1	28772310	ZASXVRBQZRWBTE-UHFFFAOYSA-N	328.368	3.816	5	1	EHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc3c([N+](=O)[O-])cccc13)O2	587388443	BSWYBUZLMVYQBN-QGZVFWFLSA-N	349.346	3.740	5	1	EHBF	
O=c1[nH]c2ccc(-c3cccc([N+](=O)[O-])c3)cc2n1Cc1ccccc1	26389	DLJCIQILRSPADU-UHFFFAOYSA-N	345.358	3.953	5	1	EHBF	
COc1c(O)c(CCN(C)C)c2ccc3ccccc3c2c1OC	238745073	CLDUDDLAODNKEY-UHFFFAOYSA-N	325.408	3.820	5	1	EHBF	
Cc1cccc(OCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1C	587564826	YRTCMIYAKLYNNT-UHFFFAOYSA-N	342.311	3.575	5	1	EHBF	
COc1cccc(C2(c3nc4cncc([N+](=O)[O-])c4[nH]3)CCCC2)c1	587932409	DUCHJPMAPFWKIY-UHFFFAOYSA-N	338.367	3.735	5	1	EHBF	
Oc1nc2ccc(N3CCC(N4CCCC4)CC3)nc2c2ccccc12	13523989	SNBCODNSVQTDDY-UHFFFAOYSA-N	348.450	3.553	5	1	EHBF	
C[C@@H](O)[C@](C)(CO)NCc1ccc2ccc3cccc4ccc1c2c34	26468001	XUHAATDMBCODLR-PEBXRYMYSA-N	333.431	3.805	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1[N+](=O)[O-]	586893880	ZBWLVDITKJOEDJ-NOTQWWDFSA-N	342.355	3.847	5	1	EHBF	
COc1ccc(CCOC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1	40422930	ZEQHSBYRXVGWDI-UHFFFAOYSA-N	332.381	3.560	5	1	EHBF	
O=C(c1ccc([N+](=O)[O-])cc1)n1ccnc1-c1cccc(Cl)c1	43069086	RRLIGSSWXZXYHB-UHFFFAOYSA-N	327.727	3.800	5	1	EHBF	
CC(=O)N[C@@H](CSc1cccc2cc3ccccc3cc12)C(=O)O	238736424	DFIWKYVPNOCQAH-KRWDZBQOSA-N	339.416	3.674	5	1	EHBF	
N=C(N)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1	587048090	QELNVZCCAXPTDV-KXFIGUGUSA-N	341.758	3.579	5	1	EHBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1[S@@](=O)Cc1ccccc1	621477601	DHHMIGFXKJOTHE-QFIPXVFZSA-N	329.299	3.921	5	1	EHBF	
COc1cc2c3c(c4c5ccccc5n(C)c4c2cc1OC)C(=O)NC3	1772641553	RMVGTMLXOAUPQS-UHFFFAOYSA-N	346.386	3.745	5	1	EHBF	
Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)N1CCC(C)CC1	3904616	JCXFRRACJWGIJZ-UHFFFAOYSA-N	348.446	3.722	5	1	EHBF	
O=[N+]([O-])c1cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2cc1Cl	587173516	CQQBBWFCIHMMCC-AWEZNQCLSA-N	333.706	3.940	5	1	EHBF	
O=C(c1ccc([N+](=O)[O-])c(O)c1)c1ccc(-c2cccc(O)c2)s1	64447960	CLINVQRSHCYCJN-UHFFFAOYSA-N	341.344	3.966	5	1	EHBF	
COc1cccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)c1	6451471	UATKXLIZKHRVEH-UHFFFAOYSA-N	345.336	3.572	5	1	EHBF	
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3cc(O)ccc3c21	13372376	GNCMMKJNEMBGHM-UHFFFAOYSA-N	341.326	3.545	5	1	EHBF	biogenic,in-vitro
Cc1cc2[nH]c(-c3c(C)oc4c3C(=O)CCC4)nc2cc1[N+](=O)[O-]	586903790	NKZKVEUMYYUXHZ-UHFFFAOYSA-N	325.324	3.867	5	1	EHBF	
CN(C)c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)nc1	587195648	ZGQOMOFOXQIGGB-UHFFFAOYSA-N	340.390	3.787	5	1	EHBF	
CNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(=O)O)ccc12	114265378	KWIKUKWCLKBUMA-UHFFFAOYSA-N	345.362	3.662	5	1	EHBF	
O=C(O)CCc1c(-c2ccc(Cl)cn2)[nH]c2cccc([N+](=O)[O-])c12	587645304	PBPVBDATHXKESR-UHFFFAOYSA-N	345.742	3.809	5	1	EHBF	
Cn1c2ccccc2c2c(NCCCN)nc3ccc([N+](=O)[O-])cc3c21	169309498	SWOOLGGRJYZVMR-UHFFFAOYSA-N	349.394	3.549	5	1	EHBF	
O[C@H]1c2ccc3c4ccccc4c4ccccc4c3c2[C@@H]2O[C@@H]2[C@@H]1O	6117980	GZHHSQMUVHHNOY-LNRXMEIDSA-N	328.367	3.994	5	1	EHBF	
O[C@H]1c2ccc3c4ccccc4c4ccccc4c3c2[C@H]2O[C@H]2[C@H]1O	195434511	GZHHSQMUVHHNOY-KJJMTIBFSA-N	328.367	3.994	5	1	EHBF	
CCc1cc(OCc2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1Cl	587052686	IDGNPCBBGQJMDQ-UHFFFAOYSA-N	332.747	3.661	5	1	EHBF	
O=C1C[C@H](c2cc(O)ccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1	587508937	GUAJKMJSVKWRGJ-GOSISDBHSA-N	339.347	3.886	5	1	EHBF	
COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccccc3)c[n+]12	299844646	NXJOLADKTNRQAX-UHFFFAOYSA-O	342.378	3.637	5	1	EHBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cccc(C(C)(C)C)c2[nH]1	587267927	USEVZHLGXYHTJK-LLVKDONJSA-N	327.388	3.883	5	1	EHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(Cl)cn1	587644932	FXYGTWPPHHNEEZ-UHFFFAOYSA-N	330.731	3.685	5	1	EHBF	
C[C@@](O)(c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F	587645461	VYLXTOQBCQWUIN-SNVBAGLBSA-N	342.195	3.865	5	1	EHBF	
COC(=O)c1cc2cc3c(cc2c2cc(OC)c(OC)cc12)OCO3	653854392	DWPBKBPKGRISQK-UHFFFAOYSA-N	340.331	3.526	5	1	EHBF