smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1F	38908	BKHNVWKGUHDWLM-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
Cc1cccc2c(NCc3cccc([N+](=O)[O-])c3)ncnc12	170673481	ZQQSORJPCUMWPX-UHFFFAOYSA-N	294.314	3.459	5	50	CGBA	
Cc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)cc1	475765	BUTXKJOEBOAHAQ-UHFFFAOYSA-N	271.272	3.165	5	50	CGBA	
O=C(O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	176128	SHGRTMQVJAOKLV-UHFFFAOYSA-N	257.654	3.161	5	50	CGBA	
CCC[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	449766	QGWUYHOVFDPGCM-QMMMGPOBSA-N	270.716	3.167	5	50	CGBA	
C[C@@H]1CN(C)[C@H](C)c2c1oc1c([N+](=O)[O-])cccc21	35335355	YEDYHJFVBBFGPZ-RKDXNWHRSA-N	260.293	3.451	5	50	CGBA	
COc1cc(F)c([N+](=O)[O-])cc1NC(=O)OC(C)(C)C	725538369	KPUXYKMAEDAWET-UHFFFAOYSA-N	286.259	3.090	5	50	CGBA	
O=C1C[C@H]2c3cc([N+](=O)[O-])ccc3N[C@@H]2c2ccccc2N1	1775953734	NODLZSCZNWEUSM-BLLLJJGKSA-N	295.298	3.187	5	50	CGBA	
O=[N+]([O-])c1ccsc1NCCCCc1ccncc1	2325802339	AVBNSNNXTZZCTC-UHFFFAOYSA-N	277.349	3.486	5	50	CGBA	
O=C(Nc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-]	69321	ZYFZPPOOLKRCSO-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
O=[N+]([O-])c1ccc(OCCOc2ccccc2)cc1	2164922	HRBVDXVFAYYMJV-UHFFFAOYSA-N	259.261	3.053	5	50	CGBA	
O=[N+]([O-])c1cc(F)c(Cl)cc1Br	36533098	KPAVKOUZDIGLJY-UHFFFAOYSA-N	254.442	3.150	5	50	CGBA	in-vitro
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccco1	4526059	OFXOCDFGVTUWEP-UHFFFAOYSA-N	280.667	3.402	5	50	CGBA	
O=[N+]([O-])c1ccc(Br)c(Br)c1	1712615	DLLDRYLYVHKDKK-UHFFFAOYSA-N	280.903	3.120	5	50	CGBA	in-vitro
O=[N+]([O-])c1ccc(Nc2ccc(Br)cc2)nc1	3880519	WJHZUYCOTRMCSB-UHFFFAOYSA-N	294.108	3.496	5	50	CGBA	
O=[N+]([O-])[C@@]1(Br)CCC[C@H](C(F)(F)F)C1	958528119	JUZVZGCZILIHFA-WDSKDSINSA-N	276.052	3.107	5	50	CGBA	
Cn1nc([N+](=O)[O-])nc1Sc1ccc(C(C)(C)C)cc1	301780	PMDBJKNHOOVDOO-UHFFFAOYSA-N	292.364	3.172	5	50	CGBA	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCC1	4004799	UHQZHRWBRICNEH-UHFFFAOYSA-N	260.215	3.214	5	50	CGBA	
O=[N+]([O-])c1ccc2[nH]c3ccc([N+](=O)[O-])cc3c2c1	3122882	IARXLBTXILYASE-UHFFFAOYSA-N	257.205	3.138	5	50	CGBA	
COc1ccccc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-]	4646642	BOPSNULJMNISAS-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
O=[N+]([O-])c1cc(Br)c(F)cc1Cl	74934295	QVJCDJCNCFFOIC-UHFFFAOYSA-N	254.442	3.150	5	50	CGBA	in-vitro
O=[N+]([O-])c1c[nH]nc1Sc1nc2ccccc2s1	47218771	VEXNQJNRBJBDLX-UHFFFAOYSA-N	278.318	3.079	5	50	CGBA	
CCNC(=O)c1cccc(-c2cccc([N+](=O)[O-])c2)c1	85477041	VALPEQSCKHJNMZ-UHFFFAOYSA-N	270.288	3.012	5	50	CGBA	in-vitro
O=[N+]([O-])c1ccc(/C=C/[S@](=O)c2ccccc2)cc1	335240	HEABPNKZQVICOM-GNISGLHKSA-N	273.313	3.373	5	50	CGBA	
Cc1ccc(NC2CC3(C2)CC(N(C)C)C3)c([N+](=O)[O-])c1	2325787721	SCSFXPFULLTOFL-UHFFFAOYSA-N	289.379	3.188	5	50	CGBA	
CCN(CC)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	4583072	RCYMHHAMYJFNQS-UHFFFAOYSA-N	271.704	3.122	5	50	CGBA	
O=C(Nc1ccc2ncccc2c1)c1cccc([N+](=O)[O-])c1	3879179	XCZNTRPZLQWNIZ-UHFFFAOYSA-N	293.282	3.395	5	50	CGBA	
C[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1	4988356	JEORQQLXFZZLLJ-LJLILKBBSA-N	260.337	3.340	5	50	CGBA	
O=S(=O)(O)c1cc2ccccc2c2ccccc12	39368573	LZSWYOHUWMZPOE-UHFFFAOYSA-N	258.298	3.240	5	50	CGBA	
O=[N+]([O-])c1ccccc1CNCCc1ccc(F)cc1	19720728	HNVPRVIQHQQGAK-UHFFFAOYSA-N	274.295	3.066	5	50	CGBA	
O=[N+]([O-])c1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1	19798219	GTZHXBQPFWAUOT-MRXNPFEDSA-N	293.326	3.311	5	50	CGBA	biogenic
CCOc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]	101879	FBZPDJOSGMQYCQ-UHFFFAOYSA-N	286.287	3.246	5	50	CGBA	
O=[N+]([O-])c1ccc(NCCOc2ccccc2Cl)nc1	20481717	PPLBMVVITHIJOV-UHFFFAOYSA-N	293.710	3.134	5	50	CGBA	
COc1cc(C(=O)N(C(C)C)C(C)C)cc([N+](=O)[O-])c1C	191897266	PUCOLVJRPZITIP-UHFFFAOYSA-N	294.351	3.171	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1NCc1ccccc1F	294210	OWMBLVHRLHTFFY-UHFFFAOYSA-N	276.267	3.355	5	50	CGBA	
Cc1c(NC(=O)Cc2cccs2)cccc1[N+](=O)[O-]	4673325	RJTDZTNBGAGFIM-UHFFFAOYSA-N	276.317	3.146	5	50	CGBA	
O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)cc2O)c1	100758609	OUTNXLVPQWCRNR-UHFFFAOYSA-N	281.271	3.153	5	50	CGBA	
CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)nc1C	48343092	SYCKDQQSHDETSX-UHFFFAOYSA-N	292.316	3.203	5	50	CGBA	
O=[N+]([O-])c1cccc(Br)c1Br	38880339	LPOQWSWPRAGSBK-UHFFFAOYSA-N	280.903	3.120	5	50	CGBA	in-vitro
O=C1C[C@H]2c3cc([N+](=O)[O-])ccc3N[C@H]2c2ccccc2N1	1775953736	NODLZSCZNWEUSM-LRDDRELGSA-N	295.298	3.187	5	50	CGBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)OCc1ccco1	1753383	MZLPUSKQVKVCMC-UHFFFAOYSA-N	276.248	3.245	5	50	CGBA	
O=[N+]([O-])c1c(F)cc(Br)cc1OC(F)F	263624376	PWDBKXCUKLEEOR-UHFFFAOYSA-N	286.003	3.098	5	50	CGBA	
CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-]	4808444	SMPVUZALGRIQMU-AWEZNQCLSA-N	298.342	3.346	5	50	CGBA	
O=[N+]([O-])c1cccc(-c2nnc3ccc4ccccc4n23)c1	92749	BEQYRFSUIRGHST-UHFFFAOYSA-N	290.282	3.458	5	50	CGBA	
COc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc2c1	528246	ZIXLQPRJKRBVHF-UHFFFAOYSA-N	297.266	3.377	5	50	CGBA	
O=C(O)c1sccc1Oc1ccccc1[N+](=O)[O-]	166268	FQWOAQAKZKIBTM-UHFFFAOYSA-N	265.246	3.147	5	50	CGBA	
O=[N+]([O-])c1ccc(CNc2ccccc2CO)cc1Cl	187532744	QVXFNMJPHFLGKM-UHFFFAOYSA-N	292.722	3.353	5	50	CGBA	
Cc1ccc(NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1[N+](=O)[O-]	300908	BYZAYPJHKXBYHG-VXGBXAGGSA-N	274.320	3.278	5	50	CGBA	
C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1	264265	QLGKQCQBGWYTSN-GFCCVEGCSA-N	284.315	3.015	5	50	CGBA	
O=[N+]([O-])c1ccc(CSc2nnc(C3CC3)[nH]2)cc1F	170605568	BSIOEIGZIBFXQS-UHFFFAOYSA-N	294.311	3.022	5	50	CGBA	
O=[N+]([O-])c1ccc(N2CCc3ccccc32)cc1[N+](=O)[O-]	3878526	GBSPRNQQSHQXTR-UHFFFAOYSA-N	285.259	3.197	5	50	CGBA	
O=C(NCC[N+]1(c2ccccc2)CCCC1)c1ccccc1	4822773	FXWXEXYTZJFCQY-UHFFFAOYSA-O	295.406	3.218	5	50	CGBA	
CCCC(=O)Nc1cc([N+](=O)[O-])ccc1N1CCCCC1	334160712	KUWIQMWMLICVLG-UHFFFAOYSA-N	291.351	3.324	5	50	CGBA	
CC[C@@H](C)NCCCCOc1ccc(C)cc1[N+](=O)[O-]	2824170	PNUQQKRCIUXUOC-CYBMUJFWSA-N	280.368	3.450	5	50	CGBA	
C[C@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-]	4989157	WDUFHALGCCZXFY-PPGNKHEKSA-N	260.337	3.482	5	50	CGBA	
Cc1ccc(Cl)c(OCn2nc(C)c([N+](=O)[O-])c2C)c1	2552499	SPPWZRUAXQBYDV-UHFFFAOYSA-N	295.726	3.406	5	50	CGBA	
O=c1sc2ccccc2c(N2CCCCC2)c1[N+](=O)[O-]	5059523	XJCRKMDGSSBBFP-UHFFFAOYSA-N	290.344	3.160	5	50	CGBA	
CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl	442470	DVSCUEBOTYDRPU-MRVPVSSYSA-N	270.716	3.167	5	50	CGBA	
O=C(Nc1cccc([N+](=O)[O-])c1)OC1CCCCC1	2170787	KWQGYEUPMCYARW-UHFFFAOYSA-N	264.281	3.476	5	50	CGBA	
O=[N+]([O-])c1ccccc1OCCCCN1CCCCC1	2885673	KKZDJIUNVRLCQL-UHFFFAOYSA-N	278.352	3.240	5	50	CGBA	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)NC1CCCCC1	474921	KOOBTTCTRUTIKE-UHFFFAOYSA-N	281.287	3.188	5	50	CGBA	
CCOc1cc(Cn2cnc3ccccc32)ccc1[N+](=O)[O-]	225436105	UTHSNDCJUOOKNU-UHFFFAOYSA-N	297.314	3.392	5	50	CGBA	
Cc1cccc(-c2cnn(-c3cccc([N+](=O)[O-])c3)c2N)c1	2508443	WVDQHXSZISXARL-UHFFFAOYSA-N	294.314	3.338	5	50	CGBA	
CCN(C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1	261494486	YTBQEEFWIDOQSS-UHFFFAOYSA-N	266.297	3.356	5	50	CGBA	
CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	60257	CZANJAQNQSTZEP-UHFFFAOYSA-N	284.271	3.050	5	50	CGBA	
O=C(Nc1nc2ccccc2s1)c1ccccc1[N+](=O)[O-]	282854	KIFFXCWBNBXUAR-UHFFFAOYSA-N	299.311	3.457	5	50	CGBA	
Cc1n[nH]c(C)c1CCCCOc1ccc([N+](=O)[O-])cc1	2885570	RISPFKNYFJNVKZ-UHFFFAOYSA-N	289.335	3.336	5	50	CGBA	
O=[N+]([O-])c1ccc(Oc2ccc3c(c2)OCO3)cc1	4691418	COESAXSVDFHOHC-UHFFFAOYSA-N	259.217	3.116	5	50	CGBA	
Cc1c(Br)ccc(OC(F)F)c1[N+](=O)[O-]	263623190	FMFDCQVSNGYRTK-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
Cn1c2ccc([N+](=O)[O-])cc2c2cc([N+](=O)[O-])ccc21	3129823	GYRJTSLETAQRSP-UHFFFAOYSA-N	271.232	3.148	5	50	CGBA	
COC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	4006281	XLZUUZMFAKIMLB-UHFFFAOYSA-N	273.244	3.174	5	50	CGBA	
CC(C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	175105357	VADCZKVUYRNQRA-UHFFFAOYSA-N	290.241	3.094	5	50	CGBA	
O=[N+]([O-])c1cc(Br)c(F)cc1OC(F)F	263622958	CKXYVRXGMHKGBG-UHFFFAOYSA-N	286.003	3.098	5	50	CGBA	
C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1C[C@H]2CC[C@H]1C2	225396823	MNDUFYGMJAZUIU-XFWSIPNHSA-N	267.354	3.288	5	50	CGBA	
CCCCN(CC)C(=O)c1cccc([N+](=O)[O-])c1C	2743564	OCDZRLIZDCJWGK-UHFFFAOYSA-N	264.325	3.165	5	50	CGBA	
Cc1ccc(OCCCCNC(C)(C)C)c([N+](=O)[O-])c1	3000431	HIVMCFCGFUEEPX-UHFFFAOYSA-N	280.368	3.450	5	50	CGBA	
COc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	3086086	ZXZGOGLXDKDRHQ-UHFFFAOYSA-N	287.275	3.247	5	50	CGBA	
COC(=O)c1sccc1Oc1ccccc1[N+](=O)[O-]	166266	BYAMNBQBFALVSD-UHFFFAOYSA-N	279.273	3.235	5	50	CGBA	
COC(=O)c1cccc(-c2ccc(F)c([N+](=O)[O-])c2)c1	97756900	STSQZFMPAHYPDA-UHFFFAOYSA-N	275.235	3.188	5	50	CGBA	
C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2CC[C@H]1C2	101705085	RMHAGYCHBZKSPN-UHXUPSOCSA-N	288.347	3.149	5	50	CGBA	
O=[N+]([O-])c1cccc(-c2noc(-c3ccccc3)n2)c1	3156632	MEANKDBJCLROEM-UHFFFAOYSA-N	267.244	3.312	5	50	CGBA	
CC(C)(C)NC(=O)c1cc2c(ccc3ccccc32)oc1=O	337613	XQCOCXOGZKRCSH-UHFFFAOYSA-N	295.338	3.475	5	50	CGBA	
Cc1cc(C)cc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1	129723	HSVPQSQPHHVITQ-UHFFFAOYSA-N	271.272	3.431	5	50	CGBA	
O=C(Nc1cc(F)cc(F)c1)c1ccccc1[N+](=O)[O-]	4814482	ZRKILJJIUNUVRE-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Nc2ccccc2)n1	23549785	ZFQTVJXVKJGLGL-UHFFFAOYSA-N	294.654	3.295	5	50	CGBA	
O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccccc1	22016082	FFVUCQIKJLGTJL-CABCVRRESA-N	283.283	3.304	5	50	CGBA	
O=[N+]([O-])c1cccc(CNc2ncnc3ccc(F)cc23)c1	170596182	FMFGVJUHYPJENR-UHFFFAOYSA-N	298.277	3.289	5	50	CGBA	
Cc1ccc(-c2cc(=O)oc(-c3ccco3)n2)cc1[N+](=O)[O-]	455792	RTJCQNZLQONKMO-UHFFFAOYSA-N	298.254	3.178	5	50	CGBA	
O=C(NC1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-]	288725	JXQPFXISUQHSRZ-UHFFFAOYSA-N	282.727	3.311	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1Nc1ncnc2ccccc12	132626	UIQSOOXEGYZKER-UHFFFAOYSA-N	296.286	3.290	5	50	CGBA	
CCN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1	211480	NMLGRXNVNFTMIT-UHFFFAOYSA-N	284.315	3.257	5	50	CGBA	
Cc1cc(C(=O)N2CCc3ccccc32)ccc1[N+](=O)[O-]	284812	VIIOXTBNUFLOLN-UHFFFAOYSA-N	282.299	3.106	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1	4137086	KYOCIIJIVXLVDR-UHFFFAOYSA-N	257.171	3.004	5	50	CGBA	
Cc1c(C(=O)Nc2ccccc2F)cccc1[N+](=O)[O-]	102222	LHYFPSUHMFBOLM-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
Cc1cc(C)c2[nH]c3nc(C)cc(C)c3c(=O)c2c1	241017	BHXHEVPIWKHALT-UHFFFAOYSA-N	252.317	3.310	5	50	CGBA	
Cc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])o1	272254	MKQNCADNIDYRTQ-UHFFFAOYSA-N	280.667	3.402	5	50	CGBA	
COc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	311820	DWNMMYOWGIZRPO-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
O=[N+]([O-])c1ccc2nc(C(Cl)(Cl)Cl)[nH]c2c1	5294731	NBBNANCVRJOGDU-UHFFFAOYSA-N	280.498	3.298	5	50	CGBA	biogenic
Cc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1	290996	WBLNADQPUSRQIV-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
COc1ccccc1NC(=O)c1cccc(C)c1[N+](=O)[O-]	466293	LLUCCAKCUKBNDO-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
O=[N+]([O-])c1ccc(Cl)cc1NCc1cccnc1	4310929	LHTNUMKKTLNWHF-UHFFFAOYSA-N	263.684	3.255	5	50	CGBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccoc1C	4902275	YHQZFCOCCPADMK-UHFFFAOYSA-N	260.249	3.057	5	50	CGBA	
Cn1c(Sc2ccc([N+](=O)[O-])cn2)nc2ccccc21	2484180	DPQJNAWSOYHMAT-UHFFFAOYSA-N	286.316	3.028	5	50	CGBA	
O=c1cc(-c2cccc([N+](=O)[O-])c2)c2ccc(O)cc2o1	5546687	YOSIVYGRLUMUSC-UHFFFAOYSA-N	283.239	3.074	5	50	CGBA	
Cc1ccc(CNc2cc(N)ccc2[N+](=O)[O-])s1	328589470	RLDJTKWDYNTUDJ-UHFFFAOYSA-N	263.322	3.159	5	50	CGBA	
CNc1ccccc1-n1cnc(-c2ccc([N+](=O)[O-])cc2)c1	444863	HDDYDCXLIIJZAS-UHFFFAOYSA-N	294.314	3.489	5	50	CGBA	
CN(c1nc2sccn2c1[N+](=O)[O-])C1CCCCCC1	170626377	VHUOQJAVDIOIKG-UHFFFAOYSA-N	294.380	3.463	5	50	CGBA	
COc1ccc2oc(=O)c(-c3ccc([N+](=O)[O-])cc3)cc2c1	58047	ATLZEMJLXONUAD-UHFFFAOYSA-N	297.266	3.377	5	50	CGBA	biogenic
Cc1nc(C)c(C)c(Oc2ccc([N+](=O)[O-])cc2F)n1	253429298	QMVORDATFSAQOG-UHFFFAOYSA-N	277.255	3.241	5	50	CGBA	
Cc1ccc(-c2cc(C(=O)O)cc([N+](=O)[O-])c2)cc1F	95495091	SGICNTDEGPQQSZ-UHFFFAOYSA-N	275.235	3.408	5	50	CGBA	in-vitro
Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1C	283718	ACLYFHWRGOCAHN-UHFFFAOYSA-N	255.273	3.443	5	50	CGBA	
Cc1cccc2c1OCC[C@@H]2Nc1ncc([N+](=O)[O-])s1	192548271	OMOZAGRMSXDICH-JTQLQIEISA-N	291.332	3.295	5	50	CGBA	
O=C(O)c1ccc(SC2CCCC2)c([N+](=O)[O-])c1	4779418	QFRRVRJMPRJHQD-UHFFFAOYSA-N	267.306	3.328	5	50	CGBA	
O=[N+]([O-])c1ccc(C2=CN3c4ccccc4S[C@H]3N2)cc1	101035870	GJSUWZVSSWLFRP-HNNXBMFYSA-N	297.339	3.392	5	50	CGBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)OC(C)(C)C	79390167	ZFXOMQBRXHEGKO-UHFFFAOYSA-N	252.270	3.250	5	50	CGBA	
C[C@@H]1CCC[C@H](NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1	5672675	YSXYPPBKFNCCQB-YPMHNXCESA-N	292.335	3.400	5	50	CGBA	
CCc1nc([C@H](C)Nc2ncc(C)cc2[N+](=O)[O-])cs1	253428132	HYFAIKDOVDXIQA-VIFPVBQESA-N	292.364	3.490	5	50	CGBA	
O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCCCC1	2163936	WLHOZOGVLPQZAR-UHFFFAOYSA-N	263.297	3.049	5	50	CGBA	
C[C@@H]1C[C@@H](C)CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1	1181774	WEBWUBDICLBMLX-AMRKSYTLSA-N	288.347	3.113	5	50	CGBA	
CCc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	38620	NCJIBEJPFSIQEA-UHFFFAOYSA-N	271.272	3.376	5	50	CGBA	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1F	2899121	YRRBSAPPKPUKJB-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
O=[N+]([O-])c1ccc(N2CCCCC2)c(Br)c1	205536959	SEYSGHFJTVXAFA-UHFFFAOYSA-N	285.141	3.348	5	50	CGBA	
CCCN(CCC)C(=O)c1cccc([N+](=O)[O-])c1C	271429	PFHGPMXOQNXDOS-UHFFFAOYSA-N	264.325	3.165	5	50	CGBA	
O=C(O)/C(=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1	1720943	JXVPBSPAIXEUPB-UVTDQMKNSA-N	269.256	3.220	5	50	CGBA	
CC(=O)c1cc(C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	265336	KLFPEVXZXKCSOU-UHFFFAOYSA-N	299.282	3.325	5	50	CGBA	
Cc1nc2ccccc2nc1OCc1ccc([N+](=O)[O-])cc1	531670	OXUGSSBLZJJERS-UHFFFAOYSA-N	295.298	3.425	5	50	CGBA	
O=Cc1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1	153737	WMXZCHIRDDTONT-UHFFFAOYSA-N	275.235	3.125	5	50	CGBA	in-vitro
O=C(Nc1ccc([N+](=O)[O-])c(F)c1)OCc1ccccc1	261493982	NEYOXBXALIAVRT-UHFFFAOYSA-N	290.250	3.483	5	50	CGBA	
O=[N+]([O-])c1ccc(C(F)(F)F)c(Br)c1	85220953	WPUMBZRKLJGMIJ-UHFFFAOYSA-N	270.004	3.376	5	50	CGBA	in-vitro
Cc1cccc2ncnc(NCc3ccc([N+](=O)[O-])cc3)c12	170652370	WGTVFVFKDHFRTI-UHFFFAOYSA-N	294.314	3.459	5	50	CGBA	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Br	56813	PESPBNYBZVIGRO-UHFFFAOYSA-N	270.004	3.376	5	50	CGBA	in-vitro
Cc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1[N+](=O)[O-]	447776	DVPWLWUSADSSNT-UHFFFAOYSA-N	299.330	3.222	5	50	CGBA	
O=[N+]([O-])c1ccc(CNC2CCCC2)cc1Cl	187610947	SGXPUPUKGHDMHY-UHFFFAOYSA-N	254.717	3.280	5	50	CGBA	
C[C@@H](CNc1cccc(F)c1[N+](=O)[O-])c1nccs1	230606902	DITCUTWDINLPQN-QMMMGPOBSA-N	281.312	3.406	5	50	CGBA	
C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)C1	221531444	PRHFKMBJWHEOMJ-NSHDSACASA-N	275.352	3.405	5	50	CGBA	
CCc1ccc(N2Cc3ccccc3C2=O)c([N+](=O)[O-])c1	227156727	YEUDXLRNYALWHJ-UHFFFAOYSA-N	282.299	3.318	5	50	CGBA	
O=C(O)c1ccccc1NSc1ccccc1[N+](=O)[O-]	123675	FWTUVJGMKKXNEF-UHFFFAOYSA-N	290.300	3.412	5	50	CGBA	
O=C(NC1CCCCCC1)c1ccccc1[N+](=O)[O-]	211779	LDPRNLJYHPKCDF-UHFFFAOYSA-N	262.309	3.047	5	50	CGBA	
Cc1ccc(NCC(=O)c2ccc([N+](=O)[O-])cc2)cc1	235969	VLWGLZKRJULNKK-UHFFFAOYSA-N	270.288	3.198	5	50	CGBA	
O=C(NCCC1=CCCCC1)c1ccccc1[N+](=O)[O-]	291625	JFRZRWQXBBUJEV-UHFFFAOYSA-N	274.320	3.215	5	50	CGBA	
CCC[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	456600	ZTIAFSTUFTTWNL-MRVPVSSYSA-N	254.261	3.109	5	50	CGBA	
O=C(CCc1ccccc1F)Nc1cccc([N+](=O)[O-])c1	4870120	DEAHNMBOKJUNHO-UHFFFAOYSA-N	288.278	3.305	5	50	CGBA	
O=C(Oc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	2754220	JJZQXSGBDAZTLZ-UHFFFAOYSA-N	277.663	3.467	5	50	CGBA	
Cc1c(C(=O)NCCSC(C)(C)C)cccc1[N+](=O)[O-]	2988160	MQKIHPRWAQHPCP-UHFFFAOYSA-N	296.392	3.165	5	50	CGBA	
O=[N+]([O-])c1ccc(NC(=S)NCc2cccs2)cc1	4608306	SNPDSUSOBIPZHY-UHFFFAOYSA-N	293.373	3.143	5	50	CGBA	
O=C(O)c1c(C(=O)O)c2ccccc2c2ccccc12	71770990	HLFCUCFIITTXBF-UHFFFAOYSA-N	266.252	3.389	5	50	CGBA	
Cn1nccc1[C@@H]1CCCCN1c1ccccc1[N+](=O)[O-]	253426759	WQNQSHBZWVQIAY-ZDUSSCGKSA-N	286.335	3.060	5	50	CGBA	
Cc1cc(Br)c(OC(F)F)c([N+](=O)[O-])c1	263622995	CTALRZXFLWRRQX-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
CCN(c1ccccc1)c1ccc([N+](=O)[O-])c2nonc12	3904268	OOOFHIGCIRXAQU-UHFFFAOYSA-N	284.275	3.289	5	50	CGBA	
O=[N+]([O-])c1ccc(OC(F)(F)F)cc1Br	21982382	KIGJNTZXRXZBQO-UHFFFAOYSA-N	286.003	3.256	5	50	CGBA	in-vitro
O=[N+]([O-])c1ccc(NC(=S)Nc2ccccc2)c(O)c1	4371980	KACUYPOBOHDUPW-UHFFFAOYSA-N	289.316	3.109	5	50	CGBA	
CCCN(CCC)C(=O)Nc1ccc([N+](=O)[O-])cc1	4776801	GPCXMKCPLPHXMU-UHFFFAOYSA-N	265.313	3.249	5	50	CGBA	
CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1	272719	AGOJZKAIGCCAEH-UHFFFAOYSA-N	286.287	3.246	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3)o2)cc1	347274	CBJSXHPYQDUZOO-UHFFFAOYSA-N	267.244	3.312	5	50	CGBA	
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(F)c1	463992	QESALVYXBSHMKT-CMDGGOBGSA-N	286.262	3.386	5	50	CGBA	
COc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1	123654	YTDBSXSICSGGCX-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
CC(C)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	442599	ADEZXMGRSADAMM-UHFFFAOYSA-N	270.716	3.024	5	50	CGBA	
O=C(Nc1cc([N+](=O)[O-])ccc1F)Oc1ccccc1F	1753519	NOTLKGNENQBRCC-UHFFFAOYSA-N	294.213	3.484	5	50	CGBA	
O=[N+]([O-])c1ccccc1CN1CCc2ccccc2C1	19536909	STIUMHGEWZSQFF-UHFFFAOYSA-N	268.316	3.153	5	50	CGBA	
O=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	454792	JAWFXXLBXDAJAJ-UHFFFAOYSA-N	280.283	3.410	5	50	CGBA	aggregator
c1ccc(C[N+]23CCN(CC2)c2ccccc23)cc1	2826127	ZOFNKCGKBBQCAY-UHFFFAOYSA-N	251.353	3.028	5	50	CGBA	
Cc1c(Br)cc([N+](=O)[O-])cc1OC(F)F	263624102	NKCHNQLYMGYQGN-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
O=C(O)c1cccc([N+](=O)[O-])c1Nc1ccccc1	5390993	WBCLJNZXAOMGGR-UHFFFAOYSA-N	258.233	3.037	5	50	CGBA	
COc1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)cc1	21801078	HFTYZAGALOQWBI-UHFFFAOYSA-N	288.259	3.045	5	50	CGBA	
O=[N+]([O-])c1ccc(Cl)c(OCc2cccnc2)c1	134212516	WUSSVLOZAGFGAS-UHFFFAOYSA-N	264.668	3.222	5	50	CGBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccs1	4578409	LRKGMEQIVIAVLU-UHFFFAOYSA-N	262.290	3.217	5	50	CGBA	
CC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1	259101	ICMYWIRGHHRUNS-UHFFFAOYSA-N	298.298	3.358	5	50	CGBA	
O=[N+]([O-])c1nn(Cc2ccc(Cl)cc2)cc1Cl	2526605	ZMMHJENKFLBBRN-UHFFFAOYSA-N	272.091	3.146	5	50	CGBA	
O=C(Nc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1	299177	WOIZWOZTAJSRDE-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
O=[N+]([O-])c1cc(Br)cc(OC(F)F)c1F	263624343	PMNFQXSOISVQSP-UHFFFAOYSA-N	286.003	3.098	5	50	CGBA	
O=[N+]([O-])c1cc(Br)cc(C(F)(F)F)c1O	575690781	AYVFNKSPGZOIPA-UHFFFAOYSA-N	286.003	3.082	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3F)o2)cc1	276075	CNOCWFZVKPHLPT-UHFFFAOYSA-N	285.234	3.451	5	50	CGBA	
CC[N+]1(CC)CCC([N+]2(CC)CCCCC2)CC1	823478843	KLLGRVRLMKFUDN-UHFFFAOYSA-N	254.462	3.026	5	50	CGBA	
COc1ccc2sc3ccc(OC)cc3c(=O)c2c1	1942245248	SQCBHRQQQSBAON-UHFFFAOYSA-N	272.325	3.432	5	50	CGBA	
Cc1cc(C(=O)Nc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-]	442442	MXLPKWAZWAYKOG-UHFFFAOYSA-N	299.330	3.222	5	50	CGBA	
Cc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-]	38994	HSEDMEBEGXMMNU-LBPRGKRZSA-N	284.315	3.394	5	50	CGBA	
CCN(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	103181	UBAIVWQJHUXYKC-UHFFFAOYSA-N	270.288	3.262	5	50	CGBA	
CCC(C)(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	620040	RBBSHBQEVXJFID-UHFFFAOYSA-N	270.716	3.167	5	50	CGBA	
Cc1ccc(OCCCN2CCCCC2)c([N+](=O)[O-])c1	3003338	LRXVRIZGDFANSK-UHFFFAOYSA-N	278.352	3.158	5	50	CGBA	
CCOC(=O)c1c(Cl)nc(Cl)c([N+](=O)[O-])c1Cl	970393	UFDWTEQPDNEBFK-UHFFFAOYSA-N	299.497	3.127	5	50	CGBA	
COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	457206	XOLMZHQBAOKBSS-UHFFFAOYSA-N	291.690	3.488	5	50	CGBA	
CCc1ccc(CCOc2ccc([N+](=O)[O-])cc2)nc1	16696705	KGCCHRPMSPXKJE-UHFFFAOYSA-N	272.304	3.174	5	50	CGBA	in-vitro
COc1c(Cl)cc([N+](=O)[O-])cc1Br	65336832	VKAIBJCWYIVBGA-UHFFFAOYSA-N	266.478	3.019	5	50	CGBA	in-vitro
Cc1cc(N2CCCC[C@@H]2C)c(F)cc1[N+](=O)[O-]	3904574	PLDIRUHRROZNLC-JTQLQIEISA-N	252.289	3.421	5	50	CGBA	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCCCC1	123359	DGXBCDHEOUKEEE-UHFFFAOYSA-N	282.727	3.264	5	50	CGBA	
Cc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1	3879028	WVWIAWCTHQDIBO-UHFFFAOYSA-N	270.248	3.183	5	50	CGBA	
O=C(NC1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-]	441668	SVTSQRJYENHOFT-UHFFFAOYSA-N	282.727	3.311	5	50	CGBA	
Cc1ccc(CC(C)(C)Nc2ncc([N+](=O)[O-])cn2)cc1	418987116	HCUDYCAZQGPVGO-UHFFFAOYSA-N	286.335	3.126	5	50	CGBA	
O=[N+]([O-])c1cnn(COc2cccc(Cl)c2Cl)c1	2537566	BEVAVDAOZSUWEF-UHFFFAOYSA-N	288.090	3.135	5	50	CGBA	
CCCc1nnc(SCc2cc([N+](=O)[O-])ccc2F)o1	1615587479	DHTDNDZEDFWAFH-UHFFFAOYSA-N	297.311	3.362	5	50	CGBA	
CCCCCCOC(=O)c1cccc([N+](=O)[O-])c1	2963822	VGRRRDVLGXQNFG-UHFFFAOYSA-N	251.282	3.332	5	50	CGBA	biogenic
COC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1	3848624	PMHCOLXQSXMKJJ-UHFFFAOYSA-N	257.245	3.048	5	50	CGBA	biogenic
C[C@@H](O)c1nc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1	292945	YWGFIZCUHQCIRP-LLVKDONJSA-N	297.314	3.046	5	50	CGBA	
CC(=O)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc1	303431	XWMUARHQIAEKIO-UHFFFAOYSA-N	299.282	3.325	5	50	CGBA	
CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1	1530487	WYMSBXTXOHUIGT-UHFFFAOYSA-N	275.197	3.155	5	50	CGBA	endogenous,in-man
CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl	2972131	BBQFZSJUBHFDDA-UHFFFAOYSA-N	256.689	3.377	5	50	CGBA	
Cc1c(C(=O)OCc2ccc(F)cc2)cccc1[N+](=O)[O-]	4846741	VCGFKNMUVPBCRD-UHFFFAOYSA-N	289.262	3.399	5	50	CGBA	
O=c1c2ccccc2nc2sc3ccccc3n12	118238	YSYFIWDTNXUQCF-UHFFFAOYSA-N	252.298	3.062	5	50	CGBA	
O=C(CSc1ccccc1)Nc1cccc([N+](=O)[O-])c1	442874	ATQSXORPAKKDPF-UHFFFAOYSA-N	288.328	3.326	5	50	CGBA	
O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccccc1	22016090	FFVUCQIKJLGTJL-GJZGRUSLSA-N	283.283	3.304	5	50	CGBA	
O=[N+]([O-])c1ccc(/C=C\c2ccco2)c([N+](=O)[O-])c1	4795987	GSRSVSNIHAMBGK-XQRVVYSFSA-N	260.205	3.266	5	50	CGBA	
CC(C)Nc1c([N+](=O)[O-])cc(Br)c(F)c1F	85477004	QOYVWOSVTZRFAC-UHFFFAOYSA-N	295.083	3.456	5	50	CGBA	in-vitro
CC(C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	456737	WTKCKOMVGGJHOW-UHFFFAOYSA-N	291.332	3.313	5	50	CGBA	
O=[N+]([O-])c1cccc(S(=O)(=O)/C=C/c2ccccc2)c1	235192	SBYUAIXSSFMSED-MDZDMXLPSA-N	289.312	3.039	5	50	CGBA	
O=C(Nc1ccccc1Cl)c1ccc([N+](=O)[O-])o1	375220	DBSXHMSKBNARHR-UHFFFAOYSA-N	266.640	3.094	5	50	CGBA	
C[C@H]1C[C@H](C)CN(CCCOc2ccccc2[N+](=O)[O-])C1	2822809	PTLMVVWYWFSMLQ-KBPBESRZSA-N	292.379	3.342	5	50	CGBA	
CC(=O)c1ccc(Nc2c([N+](=O)[O-])ccc3nonc23)cc1	3904290	QZXFPHYLXFBNQN-UHFFFAOYSA-N	298.258	3.077	5	50	CGBA	
CC(C)C(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)C	454350	XNHMVVPMVRHGOJ-JXMROGBWSA-N	290.363	3.405	5	50	CGBA	
O=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	1081549	QUHBWTNARIJFIJ-UHFFFAOYSA-N	251.625	3.321	5	50	CGBA	
C[C@@H]1C[C@@H](C)CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1	2767259	HMBWCLZWWZMIHT-IURQOMBCSA-N	288.347	3.113	5	50	CGBA	
C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	12383824	XLQHHCZQPNXQRV-NHAQELONSA-N	296.326	3.485	5	50	CGBA	
COc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-]	4775565	PZNYTOIGWDZUJP-QWRGUYRKSA-N	292.335	3.007	5	50	CGBA	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Oc1ccccc1F	2172811	VSYXVKSOANPMPK-UHFFFAOYSA-N	294.213	3.484	5	50	CGBA	
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccnc1	4592261	IOIZQLIKALTXQI-UHFFFAOYSA-N	291.694	3.204	5	50	CGBA	
CCc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]	241898	SFXMWUGFZZPMND-UHFFFAOYSA-N	270.288	3.410	5	50	CGBA	
Cc1ccc(OC(F)F)c(Br)c1[N+](=O)[O-]	263625050	WHKJBUCNBCMPLX-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	288768	RZAGPLQLAUBXSA-VIFPVBQESA-N	282.727	3.263	5	50	CGBA	
CCCCn1c(=O)c2ccccc2c2ccccc2c1=O	2466980	MFKKKXUEHHEZCH-UHFFFAOYSA-N	279.339	3.315	5	50	CGBA	
Cc1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1Cl	1426318	IJSXGDZPWWDRQM-UHFFFAOYSA-N	286.118	3.455	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccccc1	358207	RRTMMOJLZVSKHN-UHFFFAOYSA-N	287.275	3.247	5	50	CGBA	
Cc1ccc(-n2ncc3ccc([N+](=O)[O-])cc32)cc1	86216	BZTDESDYMFIPLI-UHFFFAOYSA-N	253.261	3.242	5	50	CGBA	
Cc1c(NC(=O)c2ccccc2F)cccc1[N+](=O)[O-]	442315	DRCFYRXWCRDNSF-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
O=c1sc2ccccc2n1Cc1cccc([N+](=O)[O-])c1	5740053	UKSLBJNNGYTPMH-UHFFFAOYSA-N	286.312	3.020	5	50	CGBA	
Cc1cc(C)cc(NC(=O)c2cccc([N+](=O)[O-])c2)c1	101778	OIZWLGYRGCTUFV-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
O=[N+]([O-])c1cccc([C@@H]2CC(c3ccccc3)=NN2)c1	282259	SBOLHAHQOAMFDO-HNNXBMFYSA-N	267.288	3.034	5	50	CGBA	
Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-]	2390472	JXLGTRVRUGNUCZ-UHFFFAOYSA-N	299.252	3.475	5	50	CGBA	
O=C(c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	245005	WANOJUMUCWLVTE-UHFFFAOYSA-N	261.664	3.479	5	50	CGBA	
O=[N+]([O-])c1ccc(-n2nc(Cc3ccccc3)cc2O)cc1	434094	NCWLOQPPTSHMEM-UHFFFAOYSA-N	295.298	3.077	5	50	CGBA	
O=C(NCc1cccs1)c1ccc(Cl)cc1[N+](=O)[O-]	1021565	DAGBZGCKPFUENH-UHFFFAOYSA-N	296.735	3.240	5	50	CGBA	
CC(=O)O[C@@H]1c2ccccc2-c2ccc([N+](=O)[O-])cc21	2042774	VHOLNJWMRGLXCC-OAHLLOKOSA-N	269.256	3.228	5	50	CGBA	
O=C(O)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1	38080616	KLZUMRWYVXVOIM-UHFFFAOYSA-N	259.217	3.085	5	50	CGBA	
CCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1F	455666	MUTYXMBDDZHSDQ-UHFFFAOYSA-N	254.261	3.109	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2cn3c(n2)Cc2ccccc2C3)cc1	337639	DLEVFVJSSPMBPF-UHFFFAOYSA-N	291.310	3.411	5	50	CGBA	
CC(=O)O[C@H]1c2ccccc2-c2ccc([N+](=O)[O-])cc21	1724494	VHOLNJWMRGLXCC-HNNXBMFYSA-N	269.256	3.228	5	50	CGBA	
Cc1cccc([N+](=O)[O-])c1NC(=O)N(C)Cc1ccco1	4760254	RHNOYKAOJGADCF-UHFFFAOYSA-N	289.291	3.160	5	50	CGBA	
Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2O)c(C)c1	3154488	YPFRNPDCPIFETI-UHFFFAOYSA-N	286.287	3.170	5	50	CGBA	
O=[N+]([O-])c1ccc(N2N=N[C@@H]3[C@H]4C[C@@H]([C@@H]5C=CC[C@@H]54)[C@H]32)cc1	257371818	GRPWWKAQJXYSNI-VNAATALASA-N	296.330	3.361	5	50	CGBA	
CC(C)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)C	474436	WOTXUULCOCEREP-JXMROGBWSA-N	276.336	3.253	5	50	CGBA	
COc1cc([N+](=O)[O-])ccc1-c1cc2ccccc2oc1=O	170786	VYVXSKJOTRKZHU-UHFFFAOYSA-N	297.266	3.377	5	50	CGBA	
CC(=O)Nc1ncc(Sc2ccc([N+](=O)[O-])cc2)s1	1698819	YKTLZNQOOIRKMH-UHFFFAOYSA-N	295.345	3.161	5	50	CGBA	
COc1cc(CNc2cccc(F)c2)cc([N+](=O)[O-])c1O	35335421	RSJDWXJXFZFSNA-UHFFFAOYSA-N	292.266	3.060	5	50	CGBA	
O=[N+]([O-])c1cccc(/C=C/C=C2/SC(=S)N=C2O)c1	1194057	YARIHJDGSKPHDV-QKZJIALXSA-N	292.341	3.480	5	50	CGBA	
O=[N+]([O-])c1ccc2c(cnn2Cc2cccc(F)c2)c1	66352008	FMBVHKPWDJQLNO-UHFFFAOYSA-N	271.251	3.132	5	50	CGBA	
CN(Cc1c(F)cccc1[N+](=O)[O-])OCc1ccccc1	159596724	AHRBVGRGFGBSOZ-UHFFFAOYSA-N	290.294	3.298	5	50	CGBA	
C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)C1	221531390	PRHFKMBJWHEOMJ-LLVKDONJSA-N	275.352	3.405	5	50	CGBA	
Cc1ccc(NC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1	4016757	JFLLGRNQQFFMFP-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
CCCOc1ccc(-c2csc(N)n2)cc1[N+](=O)[O-]	19854079	HYXQWTHANXPQHU-UHFFFAOYSA-N	279.321	3.089	5	50	CGBA	
CN(CCc1ccccc1)Cc1cccc([N+](=O)[O-])c1	19633058	XQPNEVQVPHJIST-UHFFFAOYSA-N	270.332	3.269	5	50	CGBA	
C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1C[C@H]2CC[C@H]1C2	225396743	MNDUFYGMJAZUIU-KATARQTJSA-N	267.354	3.288	5	50	CGBA	
CC(C)(C)O[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1	253430095	PVTZNLRIDIMXQF-JTQLQIEISA-N	299.758	3.037	5	50	CGBA	
CC[C@H](C)NCCCOc1ccc([N+](=O)[O-])c(C)c1	2823774	BTHQTNRCWDZKEQ-LBPRGKRZSA-N	266.341	3.060	5	50	CGBA	
O=C(NCc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1	5041254	VKDOXMXUYSOCMZ-UHFFFAOYSA-N	289.266	3.056	5	50	CGBA	
Cn1ccnc1Sc1cc(Cl)ccc1[N+](=O)[O-]	92376	XLZJONCLTJJAOJ-UHFFFAOYSA-N	269.713	3.133	5	50	CGBA	
O=[N+]([O-])c1c(Sc2ccccc2)nc2sccn12	3016246	TWKULZOFVJIIOX-UHFFFAOYSA-N	277.330	3.455	5	50	CGBA	
O=[N+]([O-])c1cccc(OCCn2cnc3ccccc32)c1	5028252	AIIWEZLQEVUMEM-UHFFFAOYSA-N	283.287	3.024	5	50	CGBA	
COc1ccc(CNc2ccc([N+](=O)[O-])cc2C=O)cc1	169725158	UTSBAXDURLVUJL-UHFFFAOYSA-N	286.287	3.028	5	50	CGBA	
CC(C)Oc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1Cl	186532181	RHVQQYRRKFLKBZ-UHFFFAOYSA-N	295.726	3.280	5	50	CGBA	
Cc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-]	300468	WZLPPEGBGRYQRC-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
O=[N+]([O-])c1ccccc1SNCc1ccccc1	290070	GYEKKPFDEMJSNG-UHFFFAOYSA-N	260.318	3.392	5	50	CGBA	
CC(C)(C)c1ccc(Cn2cnc([N+](=O)[O-])c2)cc1	376489	SFYXRHKVGQAPDG-UHFFFAOYSA-N	259.309	3.137	5	50	CGBA	
O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl	103133	VYVQMUUABALKSF-UHFFFAOYSA-N	282.727	3.311	5	50	CGBA	
Cc1cc(C(=O)N2CCc3ccccc3C2)ccc1[N+](=O)[O-]	265855	WQXFRDAMGQWASF-UHFFFAOYSA-N	296.326	3.102	5	50	CGBA	
Cc1cn2cc(-c3ccc([N+](=O)[O-])cc3)nc2s1	433048	TVNZIVGSNZNQOJ-UHFFFAOYSA-N	259.290	3.279	5	50	CGBA	
C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[C@H]2CC[C@H]1C2	101705088	RMHAGYCHBZKSPN-ZJQBRPOHSA-N	288.347	3.149	5	50	CGBA	
CC(=O)c1ccc(NCCCc2cccnc2)c([N+](=O)[O-])c1	1615586732	XUGWGMVRZUCBDC-UHFFFAOYSA-N	299.330	3.237	5	50	CGBA	
Cc1ccc(C(=O)Oc2ccc(F)cc2)cc1[N+](=O)[O-]	149028	ONQBHQRVVOKKNZ-UHFFFAOYSA-N	275.235	3.262	5	50	CGBA	
COc1cc(Cl)c(Br)cc1[N+](=O)[O-]	12471393	CLOMPIIPEQKLRX-UHFFFAOYSA-N	266.478	3.019	5	50	CGBA	
CC1=C[C@@H](C)C(=O)N(CC[C@H]2CCCC[N+]2(C)C)C(C)=C1	71787010	RVMDGLMQUOKCOT-NVXWUHKLSA-N	291.459	3.334	5	50	CGBA	
C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)c1cccs1)CCC2	252441433	VFBGOHJRQMLKDQ-VBQJREDUSA-N	294.440	3.314	5	50	CGBA	biogenic
CC(C)(C)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)no1	1054209	WQPXBACBBSRAAI-UHFFFAOYSA-N	289.291	3.133	5	50	CGBA	
COc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)c1	4820896	LBMJUUFNPHJTNQ-UHFFFAOYSA-N	297.270	3.320	5	50	CGBA	
Cc1ccc(-n2cc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3n2)cc1	2190659	FUUDVFHHUBCDQB-UHFFFAOYSA-N	298.258	3.150	5	50	CGBA	
COc1ccc(CNc2ccccc2[N+](=O)[O-])cc1	4182580	KLPVHDQLXCJUOA-UHFFFAOYSA-N	258.277	3.216	5	50	CGBA	
O=C(Nc1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1	138896	WABKXUJDYXWQAT-UHFFFAOYSA-N	292.678	3.206	5	50	CGBA	
COc1ccccc1OCc1cccc([N+](=O)[O-])c1	472133	LYNCNWXRCAWAOY-UHFFFAOYSA-N	259.261	3.182	5	50	CGBA	
Cc1[nH]c2ccccc2nc2c3ccccc3c(=O)c1-2	2561661	WCQFBSQQGRLAGT-UHFFFAOYSA-N	260.296	3.490	5	50	CGBA	
COc1ccc2c(c1)cc([N+](=O)[O-])n2C(=O)OC(C)(C)C	261494091	PQCSMNSVEDGJLD-UHFFFAOYSA-N	292.291	3.341	5	50	CGBA	
C[C@@H](Oc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1	372735	YTCOIZZJRBEEPI-LLVKDONJSA-N	286.287	3.001	5	50	CGBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(O)c1	1753392	JFZHXIHYWFXJCY-UHFFFAOYSA-N	287.275	3.253	5	50	CGBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(F)c1	258812	LXBQHJMCULDZRR-BQYQJAHWSA-N	286.262	3.386	5	50	CGBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCc1ccccc1	3104048	KOOAFKKJIYPRPA-MDZDMXLPSA-N	283.283	3.351	5	50	CGBA	
Cc1nc2cc(NCc3ccccc3[N+](=O)[O-])ccc2n1C	239187	MLNLDHUVGFDQAQ-UHFFFAOYSA-N	296.330	3.402	5	50	CGBA	
Cc1cccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])s2)n1	192494260	AFEXRZRNALGPSM-NSHDSACASA-N	290.348	3.096	5	50	CGBA	
O=C(Nc1ccccc1F)Nc1ccccc1[N+](=O)[O-]	5041706	AMVFBTOVLDQQAV-UHFFFAOYSA-N	275.239	3.378	5	50	CGBA	
O=C1CCCc2occ(-c3cccc([N+](=O)[O-])c3)c21	208984	ZCBMPCBNFVEWCC-UHFFFAOYSA-N	257.245	3.374	5	50	CGBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCCCC2)cc1Cl	3880484	LDZJAUJVUYRWFC-UHFFFAOYSA-N	285.687	3.147	5	50	CGBA	
O=C(O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1	4798250	FURGMJHUORLUHU-UHFFFAOYSA-N	264.281	3.038	5	50	CGBA	
Cc1ccc(C)c(Nc2ccc3nonc3c2[N+](=O)[O-])c1	5092130	COMUPVIDGLJHKA-UHFFFAOYSA-N	284.275	3.491	5	50	CGBA	
Cc1ccc(C(=O)NCCSC(C)(C)C)cc1[N+](=O)[O-]	2984729	KULYWHNSUOVYNB-UHFFFAOYSA-N	296.392	3.165	5	50	CGBA	
COc1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1	2994612	LPIMMAAIBXBIJR-UHFFFAOYSA-N	289.287	3.061	5	50	CGBA	
COc1ccc2c([N+](=O)[O-])c(N3CCCCCC3)[nH]c2c1	4352526	UMLAAJWAKJSPCL-UHFFFAOYSA-N	289.335	3.465	5	50	CGBA	
O=C(c1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1O	170626171	BSAUDJWGIIDRJD-UHFFFAOYSA-N	277.663	3.185	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCC[C@H]1C	4856345	AZGRRMFLIVWBTP-BXUZGUMPSA-N	278.352	3.272	5	50	CGBA	
Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C	296119	LEHVMGBGCKQTAN-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
COc1ccccc1Nc1nc(Cl)ccc1[N+](=O)[O-]	3880513	PCQWUSKKLBNBKJ-UHFFFAOYSA-N	279.683	3.395	5	50	CGBA	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1	282654	DDUNLWSAICMMHK-UHFFFAOYSA-N	290.706	3.429	5	50	CGBA	
CCc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1	4116725	GALDHROMVFISEW-UHFFFAOYSA-N	284.275	3.437	5	50	CGBA	
O=[N+]([O-])c1cccc(-c2cn3c(n2)Cc2ccccc2C3)c1	337641	LBRLJERWEFMOLH-UHFFFAOYSA-N	291.310	3.411	5	50	CGBA	
CCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1	103172	VOXNCKLXCVHBAK-UHFFFAOYSA-N	286.287	3.246	5	50	CGBA	
CCOC(=O)c1cc2c(=O)c3cc(C)ccc3oc2nc1C	1390934	MQIKOXHYAYTALU-UHFFFAOYSA-N	297.310	3.135	5	50	CGBA	
COc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-]	4775566	PZNYTOIGWDZUJP-GHMZBOCLSA-N	292.335	3.007	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)no2)cc1	80660	IEMAOPQWFVCFNA-UHFFFAOYSA-N	267.244	3.312	5	50	CGBA	
COc1ccc(NC(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c1	3960877	DGHSMVHVDXJBQT-JXMROGBWSA-N	298.298	3.255	5	50	CGBA	
O=C(/C=C/c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1	442923	OERRXXOCYOKFLV-RMKNXTFCSA-N	286.262	3.386	5	50	CGBA	
Cc1cc([N+](=O)[O-])ccc1NCc1ccc2c(c1)OCO2	4685522	HUWKCHOVIMSRCZ-UHFFFAOYSA-N	286.287	3.244	5	50	CGBA	
Cc1cc([N+](=O)[O-])c(Nc2cccc(O)c2)c([N+](=O)[O-])c1	5011969	YAAGLMHJPMGMRA-UHFFFAOYSA-N	289.247	3.261	5	50	CGBA	
CC(=O)Nc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-]	1615166009	WVJJGJQWVCPIDF-UHFFFAOYSA-N	282.605	3.225	5	50	CGBA	
Cc1cc(C)n(-c2cc(C)c3cccc([N+](=O)[O-])c3n2)n1	235923	MXJVHBJLYNEESU-UHFFFAOYSA-N	282.303	3.254	5	50	CGBA	
CCCN(CCC)C(=O)Cc1cccc([N+](=O)[O-])c1C	21300958	MNRNUPMXKFVATQ-UHFFFAOYSA-N	278.352	3.094	5	50	CGBA	
C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@H]1COc2ccccc21	193487862	IVRQMSJLISFNCG-GXFFZTMASA-N	299.330	3.154	5	50	CGBA	
Cc1cccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1	3105992	XWWFGZVUYHDJDN-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
CCCCNc1cc(C(=O)OCC)c([N+](=O)[O-])cc1F	725261655	ALNREAVQGSLMGL-UHFFFAOYSA-N	284.287	3.123	5	50	CGBA	
CCCN(Cc1ccccn1)c1cccc([N+](=O)[O-])c1	193559760	SEOADRABVJYRHV-UHFFFAOYSA-N	271.320	3.406	5	50	CGBA	
CC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	5726568	BNWZGRJONYNRRM-UHFFFAOYSA-N	256.689	3.233	5	50	CGBA	
O=C(Nc1cccc2cccnc12)c1ccc([N+](=O)[O-])cc1	251004	LPVJIMCDCKVFHO-UHFFFAOYSA-N	293.282	3.395	5	50	CGBA	
COc1cc([N+](=O)[O-])cc2c(C(F)(F)F)coc12	96113478	SVPUNIVMKPFRFB-UHFFFAOYSA-N	261.155	3.368	5	50	CGBA	
C[N+](C)(C)CCCCCCC[N+]1(C)CCCCC1	585152290	LCYOHRVBCRGDNJ-UHFFFAOYSA-N	256.478	3.274	5	50	CGBA	
CCN(CC)CCNc1ccc([N+](=O)[O-])cc1Cl	4575513	ZKDAMXHDPIIVAJ-UHFFFAOYSA-N	271.748	3.002	5	50	CGBA	
Cc1ccc(NC(=O)OCc2ccco2)c([N+](=O)[O-])c1	4799804	MNZDNFSNXQUGLH-UHFFFAOYSA-N	276.248	3.245	5	50	CGBA	
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)c([N+](=O)[O-])c1	101222404	DKYTXMDJYMJAGI-AUTRQRHGSA-N	294.738	3.167	5	50	CGBA	
COc1cccc2c1O[C@@H](c1ccccc1)C([N+](=O)[O-])=C2	89008	VZZMTGKGLHHYIS-HNNXBMFYSA-N	283.283	3.447	5	50	CGBA	
Cc1ccnc(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1	1741730	RTSIWELLXQUHDM-UHFFFAOYSA-N	290.254	3.081	5	50	CGBA	
CC[C@@H](C)Nc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]	4054657	FRTZHUYOLKQDSU-MRVPVSSYSA-N	253.258	3.022	5	50	CGBA	
CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	464211	IKCCRPOKQRLFIH-FMIVXFBMSA-N	282.299	3.271	5	50	CGBA	
CC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1	290743	WXLATYMPFUFSEU-UHFFFAOYSA-N	284.271	3.050	5	50	CGBA	
Cc1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	452093	VOKDQXNVICPDEJ-DHZHZOJOSA-N	296.326	3.233	5	50	CGBA	
CC(C)(C)OC(=O)Nc1cc([N+](=O)[O-])ccc1F	83502195	ZEAGQPDAEUBUAX-UHFFFAOYSA-N	256.233	3.081	5	50	CGBA	
Cc1cc(N2CCCCCC2)c(F)cc1[N+](=O)[O-]	4004735	YUHIHCSJJSJLJF-UHFFFAOYSA-N	252.289	3.423	5	50	CGBA	
Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1F	38909	DKSIPBXNTWUCKB-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	2899641	SGPBDQSJXSDSCM-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
Cc1ccc(Br)c([N+](=O)[O-])c1OC(F)F	263624473	QUZXDSQJLVANJY-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
CCCCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	1777643	QRIWJJULTCVTHO-UHFFFAOYSA-N	279.321	3.333	5	50	CGBA	
CCC(=O)N(CC)c1ccc(Cl)cc1[N+](=O)[O-]	4829109	WMDWPCJCVNFQJD-UHFFFAOYSA-N	256.689	3.011	5	50	CGBA	
CC(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	132616	GUBOWULDVFKCRF-UHFFFAOYSA-N	271.272	3.376	5	50	CGBA	
CCOC(=O)c1c([N+](=O)[O-])ccc(Cl)c1Cl	263623481	HVBBCZXHGXYJTM-UHFFFAOYSA-N	264.064	3.078	5	50	CGBA	
Cc1c(OC(F)F)cc(Br)cc1[N+](=O)[O-]	263624905	VBZQITYZTMDNBB-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
COc1cc(C=O)ccc1Oc1ccc([N+](=O)[O-])cc1	436572	RIXNXQQGIBEEIR-UHFFFAOYSA-N	273.244	3.208	5	50	CGBA	
COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1	2164790	KEAKJFQOFXVQFJ-UHFFFAOYSA-N	258.277	3.216	5	50	CGBA	
COc1ccc(OCc2cc([N+](=O)[O-])ccc2OC)cc1	2166682	JCONDSXXTGHEGD-UHFFFAOYSA-N	289.287	3.191	5	50	CGBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	239347150	MEZYRGRFFFACLP-FQOPFDEGSA-N	286.331	3.134	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2ccc(F)c(F)c2F)cn1	725271491	GVCCAUKCSZGZGV-UHFFFAOYSA-N	254.167	3.074	5	50	CGBA	
O=[N+]([O-])c1ccccc1OCCCNCc1ccccc1	2822014	RIPWKUPUKVSJMA-UHFFFAOYSA-N	286.331	3.154	5	50	CGBA	
CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	123365	YWUYDEFDHOGXRX-UHFFFAOYSA-N	282.727	3.120	5	50	CGBA	
Cc1ccc([N+](=O)[O-])c(OCCn2cnc3ccccc32)c1	527718	KSKVYULUSQWCAH-UHFFFAOYSA-N	297.314	3.332	5	50	CGBA	
O=[N+]([O-])c1ccc(Br)c(Br)c1F	263624185	ODFWTDJLAFTAAX-UHFFFAOYSA-N	298.893	3.259	5	50	CGBA	
Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	272892	SXPDZGZYKOTITO-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
O=[N+]([O-])c1ccc(Oc2cnc3ccccc3n2)cc1	3016006	RZNQBDUFQHFIRM-UHFFFAOYSA-N	267.244	3.330	5	50	CGBA	
Cc1ccc(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1	4181406	FHXZADBHAALLDO-UHFFFAOYSA-N	272.260	3.345	5	50	CGBA	
Cc1ccc2c(c1)NC(=O)c1cccc([N+](=O)[O-])c1CO2	1390729	YEGSPVARVMRMAU-UHFFFAOYSA-N	284.271	3.048	5	50	CGBA	
O=[N+]([O-])c1cc(F)ccc1CNC1CCCCC1	83391738	LLWAMQJKEQXRQH-UHFFFAOYSA-N	252.289	3.156	5	50	CGBA	
Cc1ccc(N(C)CCO)c2c(=O)c3ccccc3sc12	101362954	YSHCSSMDXXRATP-UHFFFAOYSA-N	299.395	3.152	5	50	CGBA	
Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-]	235970	LBHNFFABBYZMOR-UHFFFAOYSA-N	291.694	3.204	5	50	CGBA	
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1	467116	BGAKFBFZKJSLNE-UHFFFAOYSA-N	275.235	3.091	5	50	CGBA	
COc1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	5211006	WQUJWAFXGOBBCX-UHFFFAOYSA-N	289.247	3.255	5	50	CGBA	
Cc1ccccc1Nc1ccc2nonc2c1[N+](=O)[O-]	3879027	HCFFDRZPGDPZMN-UHFFFAOYSA-N	270.248	3.183	5	50	CGBA	
CCN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])c(F)c1	261493471	BVSWTDRBBLTJNU-UHFFFAOYSA-N	284.287	3.495	5	50	CGBA	
O=[N+]([O-])c1ccc(N2CCCCC2)c2ncccc12	4004576	MJKNJLAZNNSLRM-UHFFFAOYSA-N	257.293	3.133	5	50	CGBA	in-vitro
Cc1nc([N+](=O)[O-])cn1Cc1cccc(C(F)(F)F)c1	170625	ZUGVNQCZDGMJOC-UHFFFAOYSA-N	285.225	3.167	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1	198990	CWVXCNAGIMKZGF-UHFFFAOYSA-N	266.260	3.047	5	50	CGBA	
O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	258485	LUGZASQDCAESCW-UHFFFAOYSA-N	296.076	3.430	5	50	CGBA	
O=C(Nc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1	376145	TYXHXDUVLPEMCT-UHFFFAOYSA-N	275.239	3.378	5	50	CGBA	
CCc1nc([C@@H](C)Nc2ncc(C)cc2[N+](=O)[O-])cs1	253428123	HYFAIKDOVDXIQA-SECBINFHSA-N	292.364	3.490	5	50	CGBA	
O=C1C=C(c2ccccc2)O[C@@H](c2ccc([N+](=O)[O-])cc2)O1	198514	CHBLUVKTBZQHOW-MRXNPFEDSA-N	297.266	3.208	5	50	CGBA	
CCN(CC)CCNc1ccc(Cl)cc1[N+](=O)[O-]	4591599	MPLRBEWWXHLPPW-UHFFFAOYSA-N	271.748	3.002	5	50	CGBA	
Cc1n[nH]c(Nc2ccc(Br)cc2)c1[N+](=O)[O-]	8995365	ICLCJLQPWWMXKF-UHFFFAOYSA-N	297.112	3.132	5	50	CGBA	
Cc1ccc(NC(=O)c2ccccc2)c([N+](=O)[O-])c1	4603054	WYTTZXAEWFANLE-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
O=[N+]([O-])c1ccccc1N[C@@H](CCO)c1ccccc1	97756624	VCKXJSHFFGFJPE-ZDUSSCGKSA-N	272.304	3.130	5	50	CGBA	
O=C(CSc1ccccc1[N+](=O)[O-])Oc1ccccc1	72193	CGEJTJIEALLPHS-UHFFFAOYSA-N	289.312	3.293	5	50	CGBA	
CC(=O)Nc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	472273	ANJPFFFWWNXZMT-UHFFFAOYSA-N	286.287	3.132	5	50	CGBA	
Cc1cc(C)c2cc3ccc(S(=O)(=O)O)cc3cc2n1	3131441	KGMGQVGIRHCFKG-UHFFFAOYSA-N	287.340	3.252	5	50	CGBA	
O=[N+]([O-])c1ccc2nonc2c1Nc1ccc(F)cc1	4918339	CXSAURVSZAMFCM-UHFFFAOYSA-N	274.211	3.014	5	50	CGBA	
O=[N+]([O-])c1ccccc1Oc1ccccc1[N+](=O)[O-]	2166232	XVIRIXVOLLJIPF-UHFFFAOYSA-N	260.205	3.295	5	50	CGBA	in-vitro
O=[N+]([O-])c1ccc(N[C@@H]2CCCc3ccccc32)nc1	23549932	FPHIVFIZEDBOIU-CQSZACIVSA-N	269.304	3.479	5	50	CGBA	
CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	103285	NFLAIGYQGBGHJA-UHFFFAOYSA-N	270.288	3.262	5	50	CGBA	
Cc1ccc(OCc2cccc(C(=O)O)c2)c([N+](=O)[O-])c1	2521425	KZVGQSUPPWPZIP-UHFFFAOYSA-N	287.271	3.180	5	50	CGBA	
O=C1O[C@@H](O)c2cccc3ccc4cccc1c4c23	32236564	FHNQXICDGGUJIP-OAHLLOKOSA-N	250.253	3.154	5	50	CGBA	
Cc1ccc(C(=O)N2CCc3ccccc32)cc1[N+](=O)[O-]	183266	PBEXVKFTCRVCMA-UHFFFAOYSA-N	282.299	3.106	5	50	CGBA	
Cc1cccc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)c1	188905	KZIZMWVMGLYWLK-UHFFFAOYSA-N	298.298	3.115	5	50	CGBA	
O=C(Oc1cccc2cccnc12)c1cccc([N+](=O)[O-])c1	55198	IPFYTDRKGKCPEX-UHFFFAOYSA-N	294.266	3.362	5	50	CGBA	
Cc1nnc(SCc2cccc([N+](=O)[O-])c2)s1	621607	PJGAOXAXGQLIEK-UHFFFAOYSA-N	267.335	3.047	5	50	CGBA	
O=C(CCNc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1	2522052	VHMXUCFMTFIYBP-UHFFFAOYSA-N	288.278	3.419	5	50	CGBA	
Cc1csc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n1	466696	OBQYBIAWGXHYAZ-VOTSOKGWSA-N	289.316	3.012	5	50	CGBA	
O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)nc1	166322	ZQVHTTABFLHMPA-UHFFFAOYSA-N	250.641	3.436	5	50	CGBA	
Cc1nn(COc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-]	2552508	NCOMEIDQUQYWBQ-UHFFFAOYSA-N	281.699	3.098	5	50	CGBA	
CC1=C[C@H](C)C(=O)N(CC[C@H]2CCCC[N+]2(C)C)C(C)=C1	71787011	RVMDGLMQUOKCOT-DOTOQJQBSA-N	291.459	3.334	5	50	CGBA	
Cc1ccc2nc(-c3cc([N+](=O)[O-])ccc3O)[nH]c2c1	390834906	POIWCQDTOWFBOC-UHFFFAOYSA-N	269.260	3.152	5	50	CGBA	
O=C(/C=C/c1ccc([N+](=O)[O-])o1)OC1CCCCC1	4543015	AEIHAAJTSBBBKS-VQHVLOKHSA-N	265.265	3.077	5	50	CGBA	
Cc1ccccc1OC(=O)c1ccccc1[N+](=O)[O-]	38471	OGRVMCXNAXLYIJ-UHFFFAOYSA-N	257.245	3.122	5	50	CGBA	
O=[N+]([O-])c1ccc2nc(CCc3ccccc3)[nH]c2c1	353955	BBEFGPVDVHOKRK-UHFFFAOYSA-N	267.288	3.256	5	50	CGBA	
C[C@H](C(=O)N(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1	472119	SVIKBFCEEPDUCX-LBPRGKRZSA-N	284.315	3.361	5	50	CGBA	
C[C@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])c(Cl)n2)C1	220971944	BKGPWAZBSWBYPL-IUCAKERBSA-N	269.732	3.126	5	50	CGBA	
C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	288704	FCSIYNVDXLKTKY-SECBINFHSA-N	282.727	3.120	5	50	CGBA	
O=C(NCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	300618	DBGGDPXHDVDKQC-UHFFFAOYSA-N	290.706	3.178	5	50	CGBA	
Cc1ccccc1-n1cc2ccc([N+](=O)[O-])cc2n1	32700	CUCADDIZPAWKQU-UHFFFAOYSA-N	253.261	3.242	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCCC1	303797	VUCOSAVLRFEKJW-UHFFFAOYSA-N	278.308	3.122	5	50	CGBA	
CCCN(CCC)C(=O)c1cccc(C)c1[N+](=O)[O-]	465274	SYIOLJHEAGKXID-UHFFFAOYSA-N	264.325	3.165	5	50	CGBA	
CC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1	435774	DMOAHYRDMXWGGL-UHFFFAOYSA-N	284.271	3.050	5	50	CGBA	
Cc1cccc(-n2cnc3cc([N+](=O)[O-])ccc32)c1	1442223	GVYQHWMXFHYGPC-UHFFFAOYSA-N	253.261	3.242	5	50	CGBA	
Cc1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])cc1)CCC2	471869	GBSGKIAPFLCQJP-UHFFFAOYSA-N	296.326	3.496	5	50	CGBA	
O=[N+]([O-])c1ccc(Oc2ccc(F)cc2F)nc1	92564	VNVUVVNYXQZPNA-UHFFFAOYSA-N	252.176	3.060	5	50	CGBA	in-vitro
O=c1[nH]c2ccc(Br)cc2c2ccccc12	17020924	OJWSCRAZKRSYIB-UHFFFAOYSA-N	274.117	3.444	5	50	CGBA	in-vitro
O=[N+]([O-])c1ccc(C2=CN3c4ccccc4S[C@@H]3N2)cc1	101035869	GJSUWZVSSWLFRP-OAHLLOKOSA-N	297.339	3.392	5	50	CGBA	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1cccc1	159266	FBMZMYJNCROIQS-UHFFFAOYSA-N	256.183	3.404	5	50	CGBA	
CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1	271390	PJMHKAXZMPCQNC-HNNXBMFYSA-N	298.342	3.346	5	50	CGBA	
Cc1csc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1	283077	ARGXKQUFWANHMW-UHFFFAOYSA-N	297.723	3.265	5	50	CGBA	
Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1C	1230138	RYSVRQLQGXUEED-UHFFFAOYSA-N	271.272	3.431	5	50	CGBA	
Cc1ccc(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1	2832307	MYOJGNCPKVKIJH-UHFFFAOYSA-N	288.278	3.224	5	50	CGBA	
CC(C)(C)C(=O)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	60120	NSTBUQQNZAXHAZ-UHFFFAOYSA-N	298.726	3.192	5	50	CGBA	
CC(=O)Nc1ccc([N+](=O)[O-])cc1-c1ccccc1	4743249	CKPJXYSLANVIEG-UHFFFAOYSA-N	256.261	3.220	5	50	CGBA	
O=c1cc(C(F)(F)C(F)F)oc2ccc([N+](=O)[O-])cc12	112344	GOGQOMSXFADJKL-UHFFFAOYSA-N	291.156	3.058	5	50	CGBA	
Cc1c(NC(=O)/C=C/c2ccco2)cccc1[N+](=O)[O-]	70513	CUTRXNCZBWGTHR-BQYQJAHWSA-N	272.260	3.148	5	50	CGBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1nccs1	1753375	CAFMPYCFHJXVRK-UHFFFAOYSA-N	278.293	3.004	5	50	CGBA	
COc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)cc1	455233	FTTGJAKVWDSMRN-UHFFFAOYSA-N	297.270	3.320	5	50	CGBA	
CN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])c(F)c1	261494236	SKGONPIGYHXGNP-UHFFFAOYSA-N	270.260	3.105	5	50	CGBA	
Cc1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1C	1229883	XLEUMTHFKQQWHC-UHFFFAOYSA-N	271.272	3.431	5	50	CGBA	
O=[N+]([O-])c1ccc2c(c1)CCN(Cc1ccccc1)C2	72265959	ZKVVNEZVGMWFCN-UHFFFAOYSA-N	268.316	3.153	5	50	CGBA	
O=C(O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	5707105	AYKTVOLPMVPDMN-GXDHUFHOSA-N	269.256	3.220	5	50	CGBA	
CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1N	83551	PZUSHWNNJRFJFD-UHFFFAOYSA-N	292.316	3.082	5	50	CGBA	
O=C(O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	235952	XTVBFFGZCMYUJX-UHFFFAOYSA-N	259.217	3.085	5	50	CGBA	biogenic,in-vitro
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccccc1F	4539188	ZDBQMRLVFFWGOL-UHFFFAOYSA-N	275.239	3.378	5	50	CGBA	
O=[N+]([O-])C([N+](=O)[O-])=S(c1ccccc1)c1ccccc1	19331095	CIEYBQPYDBMYSG-UHFFFAOYSA-N	290.300	3.014	5	50	CGBA	
Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1[N+](=O)[O-]	614315	ZQFKLQJYTWYOLD-UHFFFAOYSA-N	283.690	3.249	5	50	CGBA	
O=C(/C=C/c1cccs1)Nc1ccc([N+](=O)[O-])cc1	4902014	HFZOTMNAZZMVFP-BQYQJAHWSA-N	274.301	3.308	5	50	CGBA	
Cc1cc([N+](=O)[O-])c(I)cc1Cl	65337066	GCXGZOXGUGMUGM-UHFFFAOYSA-N	297.479	3.161	5	50	CGBA	
Cc1cc(C(=O)N[C@H](C)Cc2ccccc2)ccc1[N+](=O)[O-]	669368689	CUKDAOYQUYRFNT-CYBMUJFWSA-N	298.342	3.264	5	50	CGBA	
CC(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	4996860	FJVOLILKUDLMGP-UHFFFAOYSA-N	256.689	3.233	5	50	CGBA	
O=c1c(Cl)c(O)c2cccc3c4ccccc4n1c23	6231375	AKAADVKZLLNTSP-UHFFFAOYSA-N	269.687	3.403	5	50	CGBA	aggregator
O=C(CCNc1ccccc1)c1cccc([N+](=O)[O-])c1	446424	HZWOIIAHZHTTNX-UHFFFAOYSA-N	270.288	3.280	5	50	CGBA	
O=[N+]([O-])c1cc(Br)c(F)c(OC(F)F)c1	263624495	RAOAKRGEYVFONM-UHFFFAOYSA-N	286.003	3.098	5	50	CGBA	
O=[N+]([O-])c1ccccc1CNc1ccc(F)c(F)c1	280370	XOXJXSRGACWILF-UHFFFAOYSA-N	264.231	3.485	5	50	CGBA	
CCC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	5501036	BDRBBHYEQUMXFV-UHFFFAOYSA-N	298.298	3.440	5	50	CGBA	
COc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1	276082	JXWDLEXZMIIVBN-UHFFFAOYSA-N	297.270	3.320	5	50	CGBA	
C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	288769	RZAGPLQLAUBXSA-SECBINFHSA-N	282.727	3.263	5	50	CGBA	
CCC[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1F	457257	DNGCKAOEMWTIES-MRVPVSSYSA-N	254.261	3.109	5	50	CGBA	
O=[N+]([O-])c1ccc(Br)c(C(F)(F)F)c1	56812	SXEQQBBOAMHOID-UHFFFAOYSA-N	270.004	3.376	5	50	CGBA	in-vitro
CCOc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1	860432	NEQJVZJLJHMQQL-UHFFFAOYSA-N	286.287	3.246	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)oc1C	1055136	XFDSQZMDHVHJGJ-UHFFFAOYSA-N	290.275	3.066	5	50	CGBA	
C(CC[N+]12CCCC1CCC2)C[N+]12CCCC1CCC2	222638721	TWGYEOMWICXSSV-UHFFFAOYSA-N	278.484	3.313	5	50	CGBA	
O=[N+]([O-])c1ccc2nc3c(nc2c1)Nc1ccccc1N3	13142519	CUMSYMBOSFWKPB-UHFFFAOYSA-N	279.259	3.339	5	50	CGBA	
Cc1cc(NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-]	75290440	DQWCKXNWWOLHPQ-UHFFFAOYSA-N	252.270	3.250	5	50	CGBA	
CC[N@+](C)(CC[N+](C)(C)C)Cc1cc2ccccc2o1	239402805	REFUJEKPQBBTHZ-LJQANCHMSA-N	276.424	3.106	5	50	CGBA	
CC(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl	442448	LHNGSTCHFFCZOE-UHFFFAOYSA-N	270.716	3.024	5	50	CGBA	
CN(C(=O)Oc1cccc([N+](=O)[O-])c1)c1ccccc1	463928	RLUQUDOOTASCLR-UHFFFAOYSA-N	272.260	3.230	5	50	CGBA	
C[C@@H](O)c1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	35133	NEKZQKXSBLZIRT-LLVKDONJSA-N	297.314	3.046	5	50	CGBA	
CCC(CC)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	456499	RMYALZYEOHJWEE-UHFFFAOYSA-N	270.716	3.167	5	50	CGBA	
Cc1c(NC(=O)c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-]	2950517	XNFQEXNHTJFFIV-UHFFFAOYSA-N	299.330	3.222	5	50	CGBA	
NCCCCCCNc1ccc([N+](=O)[O-])cc1Cl	4565472	DARXWAYBBNRKSL-UHFFFAOYSA-N	271.748	3.179	5	50	CGBA	
COc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	276084	PUZLCGYSAKXHRL-UHFFFAOYSA-N	297.270	3.320	5	50	CGBA	
Cc1cc2ncn(C(=O)c3ccc([N+](=O)[O-])cc3)c2cc1C	442364	QAHIDGZDTAQBDO-UHFFFAOYSA-N	295.298	3.250	5	50	CGBA	
CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl	442471	DVSCUEBOTYDRPU-QMMMGPOBSA-N	270.716	3.167	5	50	CGBA	
CC(C)c1nnc(NCc2ccc([N+](=O)[O-])c(Cl)c2)o1	170607193	UJXTXMGVSAYWLV-UHFFFAOYSA-N	296.714	3.367	5	50	CGBA	
CO[C@@H](C)COc1ccc2ccc3cccnc3c2n1	1875298650	IPFZPPODLGHPPP-NSHDSACASA-N	268.316	3.197	5	50	CGBA	
C[C@H](C(=O)Nc1ccccc1F)c1ccc([N+](=O)[O-])cc1	471323	FJLBXQXVRHIZMM-JTQLQIEISA-N	288.278	3.476	5	50	CGBA	
Cc1ccc2c(c1)c1nc3ccccc3nc1n2CC(=O)O	551604	FZAKFECXTWHHPF-UHFFFAOYSA-N	291.310	3.131	5	50	CGBA	
Cc1ccc(-c2nc(-c3ccncc3)no2)cc1[N+](=O)[O-]	4306453	VFNXZQYRYRVYQU-UHFFFAOYSA-N	282.259	3.015	5	50	CGBA	
O=[N+]([O-])c1ccc(/C=C/c2cc(O)nc(C3CC3)n2)cc1	253426131	PFYBYCXCNZHDDT-LZCJLJQNSA-N	283.287	3.138	5	50	CGBA	
CCS[C@H]1CCCCN(c2ncc([N+](=O)[O-])s2)C1	192453771	JJYALYPXBUSTMH-VIFPVBQESA-N	287.410	3.163	5	50	CGBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1ccccc1	4012180	VQBXJAHKWCTDEL-GJZGRUSLSA-N	282.299	3.337	5	50	CGBA	
O=C(NC1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1	83794784	AXBUNDIFMREYRB-UHFFFAOYSA-N	282.727	3.311	5	50	CGBA	
O=C(CCC1CCCCC1)Nc1ccc([N+](=O)[O-])cn1	5394906	YLKYAIPFRJFCHP-UHFFFAOYSA-N	277.324	3.289	5	50	CGBA	
O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)no2)c1	80648	XLFCFHWQTFKPFS-UHFFFAOYSA-N	267.244	3.312	5	50	CGBA	
CC[C@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1	4825665	XBBQPLXNHHQNQE-OAHLLOKOSA-N	298.342	3.346	5	50	CGBA	
O=C1C[C@@H](c2ccccc2[N+](=O)[O-])c2ccccc2N1	87682	ZRGZXYFMFDBJQY-GFCCVEGCSA-N	268.272	3.069	5	50	CGBA	
O=[N+]([O-])c1cccc(NC(=S)Nc2ccccc2)c1	48373	NVMXWDIGHPOMQP-UHFFFAOYSA-N	273.317	3.404	5	50	CGBA	
Cc1cc(OCCCN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-]	2823318	LCMHCDCFEGJVCG-CYBMUJFWSA-N	292.379	3.404	5	50	CGBA	
Cc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1	5005931	WNDQSOIFUBJSIO-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1	437123	SMPGBYIJGWJWSQ-UHFFFAOYSA-N	292.241	3.054	5	50	CGBA	
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl	2022399	HFHAVERNVFNSHL-UHFFFAOYSA-N	270.550	3.175	5	50	CGBA	
C[C@H](O)c1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	35132	NEKZQKXSBLZIRT-NSHDSACASA-N	297.314	3.046	5	50	CGBA	
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccs1	54715	UGHMJASCRKEIJI-UHFFFAOYSA-N	266.253	3.048	5	50	CGBA	
O=C(O)c1cccc(-c2ccc([N+](=O)[O-])c(F)c2)c1	725270330	GUWCQFMXELAHDU-UHFFFAOYSA-N	261.208	3.099	5	50	CGBA	
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccco1	191366461	LGBHROLKFCJSER-UHFFFAOYSA-N	289.291	3.126	5	50	CGBA	
Cc1nn(Cc2ccccc2Cl)c(C)c1[N+](=O)[O-]	380113	PORFQNNWFDJHRV-UHFFFAOYSA-N	265.700	3.110	5	50	CGBA	
O=S(=O)(O)c1ccc2cc3ccccc3cc2c1	2165604	IPQGOTUZADECCY-UHFFFAOYSA-N	258.298	3.240	5	50	CGBA	
Cc1ccccc1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1	301506	ZDJAPPYJELPYEM-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
O=C(NC1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1	102885	NXILMCJKLLFJES-UHFFFAOYSA-N	282.727	3.311	5	50	CGBA	
Cc1c(-c2nnc(-c3ccco3)o2)cccc1[N+](=O)[O-]	314616	SWVKTTPIOXHLMF-UHFFFAOYSA-N	271.232	3.213	5	50	CGBA	
O=C(Nc1cnc2ccccc2c1)c1cccc([N+](=O)[O-])c1	471703	BLFLQLYPRCSHIF-UHFFFAOYSA-N	293.282	3.395	5	50	CGBA	
C[C@H](Oc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1	2967037	YTCOIZZJRBEEPI-NSHDSACASA-N	286.287	3.001	5	50	CGBA	
O=C(CCOc1ccccc1)Nc1ccc([N+](=O)[O-])cc1	4036898	GRBANLAJHUOASK-UHFFFAOYSA-N	286.287	3.002	5	50	CGBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccoc1C	473329	MQOKGQDABSINFI-UHFFFAOYSA-N	260.249	3.057	5	50	CGBA	
Cc1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-]	2172200	JHUCMUHUUYLMSI-SNVBAGLBSA-N	277.324	3.167	5	50	CGBA	
O=[N+]([O-])c1cccc(Br)c1C(F)(F)F	165277282	SVEJTJRLLNMRMF-UHFFFAOYSA-N	270.004	3.376	5	50	CGBA	
Cc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	300502	NQPHDZKVYYMRHR-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
CC(=O)c1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	431921	DQMUQUOWRVOYRD-UHFFFAOYSA-N	298.298	3.358	5	50	CGBA	
COc1cccc(CNc2cccc([N+](=O)[O-])c2)c1OC	1649195	NNTHSENAYNOEBY-UHFFFAOYSA-N	288.303	3.224	5	50	CGBA	
CCCCC(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12	253389768	AOILQXDETFRWHF-UXLLHSPISA-N	268.421	3.129	5	50	CGBA	biogenic
C[C@H]1CCCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-]	463534	RXODCDXITBQPQH-VMPCVLLUSA-N	274.320	3.009	5	50	CGBA	
Cc1c(Br)ccc(Br)c1[N+](=O)[O-]	36532854	MBTRDSFQFAQCPY-UHFFFAOYSA-N	294.930	3.428	5	50	CGBA	
COc1ccc(-c2csc(C)n2)cc1[N+](=O)[O-]	314013	YMHNOGHVCMWEDN-UHFFFAOYSA-N	250.279	3.035	5	50	CGBA	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1	239231243	VFAVJEWMCUMXJP-UHIISALHSA-N	276.336	3.149	5	50	CGBA	
Cc1cccc2ncnc(NCc3cccc([N+](=O)[O-])c3)c12	170652375	KZXKQFKSNNLKNJ-UHFFFAOYSA-N	294.314	3.459	5	50	CGBA	
C[C@@H]1CCCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	461574	MKJVAUBXOGXYCU-OFFHKIPUSA-N	274.320	3.009	5	50	CGBA	
Cc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1C	101894	MEWVERJFVNTIKZ-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
Cc1ccc(Nc2ccc([N+](=O)[O-])ccc2=O)cc1	4309921	NBHUALIFNSDNBD-UHFFFAOYSA-N	256.261	3.007	5	50	CGBA	
O=[N+]([O-])c1ccc(N2N=N[C@@H]3[C@H]4C[C@@H]([C@@H]5C=CC[C@H]54)[C@@H]32)cc1	257371819	GRPWWKAQJXYSNI-XMEMRUQMSA-N	296.330	3.361	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCC[C@@H]1C	4856347	AZGRRMFLIVWBTP-SMDDNHRTSA-N	278.352	3.272	5	50	CGBA	
O=C(Nc1ccccc1O)c1cc([N+](=O)[O-])ccc1Cl	3173879	HTQVWBZQPVLATM-UHFFFAOYSA-N	292.678	3.206	5	50	CGBA	in-vitro
C[C@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])c(Cl)n2)C1	220971884	BKGPWAZBSWBYPL-DTORHVGOSA-N	269.732	3.126	5	50	CGBA	
Cc1nc(SCc2ccc(F)cc2)c([N+](=O)[O-])[nH]1	5129408	CHWVKFWFTIBPHF-UHFFFAOYSA-N	267.285	3.058	5	50	CGBA	
O=S(=O)(O)c1ccc2ccc3ccccc3c2c1	1577022	DATCUBITXKHYTK-UHFFFAOYSA-N	258.298	3.240	5	50	CGBA	
Cc1cc(N2CCC(c3cnco3)CC2)ccc1[N+](=O)[O-]	1615548897	IMOYHWAJHLLKHX-UHFFFAOYSA-N	287.319	3.275	5	50	CGBA	
Cn1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21	262105	FIRXFJFJHQIIRB-UHFFFAOYSA-N	253.261	3.149	5	50	CGBA	
C[C@@H]1CN(C)[C@H](C)c2c1oc1ccc([N+](=O)[O-])cc21	33682429	HAPQZJBJBJVMIZ-RKDXNWHRSA-N	260.293	3.451	5	50	CGBA	
C[C@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	5527795	UZSLZEQAGCDBPI-NSHDSACASA-N	286.287	3.001	5	50	CGBA	
Cc1cc(Br)cc([N+](=O)[O-])c1Br	36532879	NQAFPSSLVAEYCQ-UHFFFAOYSA-N	294.930	3.428	5	50	CGBA	
Cc1cc(Br)c([N+](=O)[O-])c(Br)c1	36532871	XVVIBMJSRSEASD-UHFFFAOYSA-N	294.930	3.428	5	50	CGBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccc1	4583104	SUKKGBMHEPZKLA-UHFFFAOYSA-N	285.303	3.225	5	50	CGBA	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCCCC1	102882	DFRRKLYXQKCLQI-UHFFFAOYSA-N	282.727	3.264	5	50	CGBA	
O=[N+]([O-])c1ccc(C(=S)Nc2ccccc2)cc1	3158442	SQYJDKLHHWSERM-UHFFFAOYSA-N	258.302	3.382	5	50	CGBA	
Cc1c(Cn2ccc(=O)c(C(C)C)c2)cccc1[N+](=O)[O-]	1615587656	PIFCTUXBOAYVEO-UHFFFAOYSA-N	286.331	3.237	5	50	CGBA	
Nc1cc2ccc1CCc1ccc(cc1[N+](=O)[O-])CC2	3122323	BWFBDEFZIAQCPW-UHFFFAOYSA-N	268.316	3.061	5	50	CGBA	
Cc1c(NC(=O)CC(C)C)ccc([N+](=O)[O-])c1C	4872451	RKWMTFMCAHFDSP-UHFFFAOYSA-N	250.298	3.196	5	50	CGBA	
C[C@@H](Nc1ncc(Cl)cn1)c1cccc([N+](=O)[O-])c1	175038194	GOBXSKJTSPFTGU-MRVPVSSYSA-N	278.699	3.211	5	50	CGBA	
Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1	5362748	PZDJBUZANYLQOM-UHFFFAOYSA-N	289.247	3.261	5	50	CGBA	
Cc1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1[N+](=O)[O-]	2637458	RVVIKUKXYVHJSA-GFCCVEGCSA-N	296.326	3.495	5	50	CGBA	
Cc1cc([N+](=O)[O-])cc(Br)c1Br	32299599	UBMOZBCSMJIDTD-UHFFFAOYSA-N	294.930	3.428	5	50	CGBA	
Cc1n[nH]c(Nc2ccccc2Br)c1[N+](=O)[O-]	12284932	LBXOEMMWQLBVJM-UHFFFAOYSA-N	297.112	3.132	5	50	CGBA	
Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc1	437339	MBBWQCCEPLDAKC-UHFFFAOYSA-N	284.315	3.142	5	50	CGBA	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1c(F)cccc1F	611134	VDUBBIOBWCWULW-UHFFFAOYSA-N	292.241	3.054	5	50	CGBA	
Cc1nc(CN(C)CCc2ccccc2[N+](=O)[O-])cs1	241326110	LZIRLAVXQYABLR-UHFFFAOYSA-N	291.376	3.034	5	50	CGBA	
O=[N+]([O-])c1ccccc1N1CCCC[C@H]1c1cn[nH]c1	301505278	CNNPUGSAARQFLB-LBPRGKRZSA-N	272.308	3.050	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccccc1	46203	GJWJVLBLBWRSOE-JXMROGBWSA-N	298.298	3.255	5	50	CGBA	
Cc1ccc([N+](=O)[O-])c(C(=N)c2ccccc2)c1[N+](=O)[O-]	2519763	INMSCVMTOSHYFU-UHFFFAOYSA-N	285.259	3.228	5	50	CGBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C)cc1	4795525	XSTLPOGOHREKFL-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
Cc1c(NC(=O)N[C@@H](C)C(C)(F)F)cccc1[N+](=O)[O-]	454208014	WQOQRPVHIQPMRR-QMMMGPOBSA-N	287.266	3.068	5	50	CGBA	
Cc1cc(OCCN2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-]	4913347	WYOPNAZNNNWSQM-CHWSQXEVSA-N	292.379	3.260	5	50	CGBA	
CC/C=C\CCOC(=O)Nc1ccc([N+](=O)[O-])cc1	222037447	LXTWESRJXYKTCU-ARJAWSKDSA-N	264.281	3.500	5	50	CGBA	
CC(C)(C)CNc1ncc(Br)cc1[N+](=O)[O-]	42371395	NZTNVXRTEOSMQV-UHFFFAOYSA-N	288.145	3.210	5	50	CGBA	in-vitro
O=[N+]([O-])c1c(F)ccc(Br)c1Cl	306245567	QWYYHPXBAHLFAN-UHFFFAOYSA-N	254.442	3.150	5	50	CGBA	
O=c1[nH]c2cc3ccccc3cc2nc1C(F)(F)F	5889485	FLOKVRACNNBAGH-UHFFFAOYSA-N	264.206	3.095	5	50	CGBA	
COc1cc([N+](=O)[O-])cc(Br)c1Cl	36532920	XLEYFYAFKHSBEB-UHFFFAOYSA-N	266.478	3.019	5	50	CGBA	
Cc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)c(C)c1	5277176	LPFNHBCCIJLNND-UHFFFAOYSA-N	284.275	3.491	5	50	CGBA	
CCN(Cc1ccccc1)C(=O)c1ccccc1[N+](=O)[O-]	271417	NIMJRNNKCRWHDC-UHFFFAOYSA-N	284.315	3.257	5	50	CGBA	
CC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1	2579325	OWKGFSOHSDMRJL-UHFFFAOYSA-N	271.272	3.376	5	50	CGBA	in-vitro
CC(=O)Nc1ccc(SC(F)(F)F)cc1[N+](=O)[O-]	4159838	CSZOIBJTHOOCDK-UHFFFAOYSA-N	280.227	3.165	5	50	CGBA	
Cc1ccc(NC(=O)OC(C)(C)C)cc1[N+](=O)[O-]	71780963	OYZZRHITGOKJDR-UHFFFAOYSA-N	252.270	3.250	5	50	CGBA	
C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)c1ccccc1)CCC2	252441092	FWQJGKVXIDRPGT-SCTDSRPQSA-N	288.411	3.253	5	50	CGBA	biogenic
O=[N+]([O-])c1ccc(CCNc2ccc3c(c2)COC3)cc1	184439868	AGEIWXPZQRVOAS-UHFFFAOYSA-N	284.315	3.280	5	50	CGBA	
Cc1cc(-c2nc3ccccc3c(=O)o2)ccc1[N+](=O)[O-]	174764	OARNIVGEQSKABL-UHFFFAOYSA-N	282.255	3.072	5	50	CGBA	
C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1C[C@H]2CC[C@H]1C2	225396715	MNDUFYGMJAZUIU-XKNYDFJKSA-N	267.354	3.288	5	50	CGBA	
Nc1nc(=S)cc(-c2cccc([N+](=O)[O-])c2)s1	23549979	MOPCXEVHYUCCKR-UHFFFAOYSA-N	265.319	3.030	5	50	CGBA	
CCCOC(=O)CCCCCCCCC[N+](=O)[O-]	45068420	PKRVYDCJZIVPEU-UHFFFAOYSA-N	259.346	3.337	5	50	CGBA	
C[N@+]1(CCO)Cc2sc3ccc(Cl)cc3c2C1	248033825	MCCRVVXXYSKXAG-OAHLLOKOSA-N	268.789	3.007	5	50	CGBA	
O=c1c(Cl)c(C(F)F)oc2ccc([N+](=O)[O-])cc12	6668618	AKZMVXTYQAJAOW-UHFFFAOYSA-N	275.594	3.292	5	50	CGBA	
O=[N+]([O-])c1ccc(CCc2ccc([N+](=O)[O-])cc2)cc1	1596369	BSNKHEKTRWNNAC-UHFFFAOYSA-N	272.260	3.288	5	50	CGBA	in-vitro
Cc1cc(C)c(N2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1	4989619	PQNAPEHMYOBUBF-UHFFFAOYSA-N	296.282	3.012	5	50	CGBA	
O=Cc1cc(Cc2ccccc2Cl)cc([N+](=O)[O-])c1O	49946777	WWNPAYUIEZTOAI-UHFFFAOYSA-N	291.690	3.357	5	50	CGBA	in-vitro
CCCN(C(=O)C1CCC1)c1cccc([N+](=O)[O-])c1	194138016	GMAHGPMDTOHOBC-UHFFFAOYSA-N	262.309	3.138	5	50	CGBA	
C[C@H]1CCC[C@@H](NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1	5676206	YSXYPPBKFNCCQB-WCQYABFASA-N	292.335	3.400	5	50	CGBA	
O=[N+]([O-])c1cc(Br)cc(C(F)(F)F)c1	2510823	YHTVYRKVFAFVLP-UHFFFAOYSA-N	270.004	3.376	5	50	CGBA	in-vitro
Cc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1	4016325	IBTWJUBGHVXYQY-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCCCC1	4776596	QMNOMDSHMIVKNV-UHFFFAOYSA-N	263.297	3.049	5	50	CGBA	
O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccn[nH]2)c(Cl)c1	170616232	NJEVBXCGKQGBCB-CYBMUJFWSA-N	292.726	3.313	5	50	CGBA	
Cc1cccc(C(=O)NC2CCCCCC2)c1[N+](=O)[O-]	463113	HXFDVDPVKJVOEV-UHFFFAOYSA-N	276.336	3.356	5	50	CGBA	
CC(=O)c1cccc(OCc2cccc([N+](=O)[O-])c2)c1	472057	DHKUVTCQVPQBHP-UHFFFAOYSA-N	271.272	3.376	5	50	CGBA	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccccc1	234749	UJHYOMVTFAFFGU-CABCVRRESA-N	282.299	3.337	5	50	CGBA	
Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-]	300363	WXFFTMHGXJWAHX-UHFFFAOYSA-N	284.315	3.175	5	50	CGBA	
Cc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1	38667	CONPUCRRJGRADY-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
O=[N+]([O-])c1cccnc1N1[C@H]2CCC[C@H]1CC(F)(F)C2	585090502	WIZNCVRKODGOJN-UWVGGRQHSA-N	283.278	3.146	5	50	CGBA	
COc1ccc(OC)c(/C=C/c2onc(C)c2[N+](=O)[O-])c1	2887187	XKYPRCDUBACSSY-GQCTYLIASA-N	290.275	3.079	5	50	CGBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccccc1	4012182	VQBXJAHKWCTDEL-LSDHHAIUSA-N	282.299	3.337	5	50	CGBA	
C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1	312862	SHVVBQJXZMCDAX-LLVKDONJSA-N	299.282	3.023	5	50	CGBA	
CCOC(=O)Sc1nc2ccc([N+](=O)[O-])cc2s1	3106443	BSXDBUQCSHDVLO-UHFFFAOYSA-N	284.318	3.453	5	50	CGBA	
O=c1[nH]c(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc12	17945479	FERQBHWZLMXRBT-CMDGGOBGSA-N	293.282	3.002	5	50	CGBA	
O=[N+]([O-])c1ccc(Br)cc1OCC(F)F	169800494	WUOZBGNBCZUREB-UHFFFAOYSA-N	282.040	3.001	5	50	CGBA	
O=[N+]([O-])c1c(Br)cccc1Br	33414776	HATHNBZPXBWLFB-UHFFFAOYSA-N	280.903	3.120	5	50	CGBA	in-vitro
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCCCC1	2172843	JNVZXVGJUXSANR-UHFFFAOYSA-N	266.272	3.253	5	50	CGBA	
Cc1cc(Br)cc(Cl)c1[N+](=O)[O-]	263624936	VIIBGLYSFWMZAF-UHFFFAOYSA-N	250.479	3.319	5	50	CGBA	
Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1	69319	FDDBCXOUHQZYFF-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
O=[N+]([O-])c1cccc(Cc2cccc([N+](=O)[O-])c2)c1	1562025	PEZWBZASSSYMTG-UHFFFAOYSA-N	258.233	3.094	5	50	CGBA	
COc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1	8701766	SPQJLZSKAZBIJO-UHFFFAOYSA-N	258.277	3.216	5	50	CGBA	
CCC(CC)Nc1ncc(Br)cc1[N+](=O)[O-]	42371362	VSZIKODJKOUHDZ-UHFFFAOYSA-N	288.145	3.353	5	50	CGBA	in-vitro
COc1ccc([N+](=O)[O-])cc1NCc1ccccc1	351945	BZXDCXXOWVIDMW-UHFFFAOYSA-N	258.277	3.216	5	50	CGBA	
CC(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1	4253248	AZDCPORBYZGYJE-UHFFFAOYSA-N	271.276	3.297	5	50	CGBA	
COc1cccc(NCc2ccc([N+](=O)[O-])s2)c1	280217	XSUHNVWUVIMQIB-UHFFFAOYSA-N	264.306	3.277	5	50	CGBA	aggregator
O=C(O)c1ccccc1Nc1cccc([N+](=O)[O-])c1	1603353	NBJRFLIUYUFOIR-UHFFFAOYSA-N	258.233	3.037	5	50	CGBA	
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	103308	HYYSQFKMJYMIOP-LLVKDONJSA-N	270.288	3.086	5	50	CGBA	
O=[N+]([O-])c1ccccc1N[C@H](CCO)c1ccccc1	77238285	VCKXJSHFFGFJPE-CYBMUJFWSA-N	272.304	3.130	5	50	CGBA	
COc1ccc(NCc2ccc([N+](=O)[O-])s2)cc1	279557	RKBJVTYCTWFERX-UHFFFAOYSA-N	264.306	3.277	5	50	CGBA	
Cc1c(Br)cc(Cl)cc1[N+](=O)[O-]	14983095	PONMYPMRWXBYEV-UHFFFAOYSA-N	250.479	3.319	5	50	CGBA	in-vitro
CCOc1ccc(Nc2nc(Cl)ncc2[N+](=O)[O-])cc1	225132867	WRQSXWSOOBHEIK-UHFFFAOYSA-N	294.698	3.181	5	50	CGBA	
O=C(NCc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1	298841	MADVUFHSGNTQDY-UHFFFAOYSA-N	290.706	3.178	5	50	CGBA	
CC1CCN(c2cc(N)c(Cl)cc2[N+](=O)[O-])CC1	4844877	BFOVODCOLWZLSX-UHFFFAOYSA-N	269.732	3.067	5	50	CGBA	
Cc1cc(OC(F)F)c(Br)c([N+](=O)[O-])c1	263624425	QIMKJHCMPXMYLS-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
Cc1cccc(C)c1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	124891	HEMNMVRZSYQCJL-UHFFFAOYSA-N	296.282	3.012	5	50	CGBA	
CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	439154	UTNPBHHPHOLORI-UHFFFAOYSA-N	298.298	3.358	5	50	CGBA	
O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CO)cc1	4902208	RUTVGWREOGDGSP-UHFFFAOYSA-N	293.706	3.320	5	50	CGBA	
Cc1c(OC(F)F)ccc([N+](=O)[O-])c1Br	263623126	DVTCXGKHKZAGSA-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	247774	UJTFAIACKGEUFV-UHFFFAOYSA-N	286.287	3.246	5	50	CGBA	
Cc1ccc(C(C)C)c(Oc2ncnc(N)c2[N+](=O)[O-])c1	3912714	PAZYAWHDFATAOS-UHFFFAOYSA-N	288.307	3.191	5	50	CGBA	
Cc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1C	3188558	IBZHIYQZKQRRGS-UHFFFAOYSA-N	296.282	3.012	5	50	CGBA	
O=[N+]([O-])c1c(F)cccc1NCc1ccc(Cl)cn1	302004803	KOCCKTYUDCTUKS-UHFFFAOYSA-N	281.674	3.394	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2nc(-c3cccs3)no2)cc1	118341	PJKOCQRSHMZZPS-UHFFFAOYSA-N	273.273	3.373	5	50	CGBA	
C[N+]1(C2CC3CC([N+]4(C)CCCC4)CC3C2)CCCC1	1857798366	ATWHGHSUFCUTEG-UHFFFAOYSA-N	278.484	3.024	5	50	CGBA	
C[C@@H](C(=O)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1	471393	TWCXXEZTIUGOES-GFCCVEGCSA-N	296.326	3.288	5	50	CGBA	
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCCCCC1	101976	ZMUSPVMWJLXHES-UHFFFAOYSA-N	282.727	3.264	5	50	CGBA	
Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1C	129458	XSNUEJZCZSOLCV-UHFFFAOYSA-N	271.272	3.431	5	50	CGBA	
CCOC(=O)c1ccc([N+](=O)[O-])c(Cl)c1Cl	263625321	YSLHQAFEPWZHQT-UHFFFAOYSA-N	264.064	3.078	5	50	CGBA	
COc1ccc(NCc2ccc([N+](=O)[O-])s2)cc1OC	280185	DGURWVJVMCSDJH-UHFFFAOYSA-N	294.332	3.286	5	50	CGBA	
CC(=O)Nc1ccc(SCc2ccc([N+](=O)[O-])o2)cc1	6022558	GRQQFFVDHOLCQR-UHFFFAOYSA-N	292.316	3.439	5	50	CGBA	
Cc1c(C(=O)N[C@H](C)c2ccccc2)cccc1[N+](=O)[O-]	272434	LXAUECYPDAPKHI-GFCCVEGCSA-N	284.315	3.394	5	50	CGBA	
CC(C)(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1	619456	YUVCVYMTLJQUAH-UHFFFAOYSA-N	261.281	3.233	5	50	CGBA	
CC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])s1	4988945	UWTXNBVTYGXDNT-SNVBAGLBSA-N	254.355	3.421	5	50	CGBA	
Cc1c(C(=O)N[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-]	272433	LXAUECYPDAPKHI-LBPRGKRZSA-N	284.315	3.394	5	50	CGBA	
O=C(O)c1cc(F)cc(-c2ccccc2[N+](=O)[O-])c1	95495644	VDJDXZBBVRDUMI-UHFFFAOYSA-N	261.208	3.099	5	50	CGBA	
O=[N+]([O-])c1ccc(N2CCCC2)c(Cl)c1N1CCCC1	5027106	JKAGGFZCBJTHCZ-UHFFFAOYSA-N	295.770	3.449	5	50	CGBA	
Cc1cccnc1CN[C@@H](C)CCc1ccccc1[N+](=O)[O-]	154665230	QSDHKKGDBDCQSV-AWEZNQCLSA-N	299.374	3.409	5	50	CGBA	
O=[N+]([O-])c1cc(Cl)cc(OCC(F)(F)F)c1	675050375	FDWYDUYVJRYJCX-UHFFFAOYSA-N	255.579	3.189	5	50	CGBA	
CC(=O)c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	472281	UANLEEXTAPHAJD-UHFFFAOYSA-N	271.272	3.376	5	50	CGBA	
CCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)nc1C	38352515	GFBBEVJAEBSTTJ-UHFFFAOYSA-N	286.287	3.142	5	50	CGBA	
Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	102963	QISNFGIFECXELP-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
O=C(Nc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F	297866	QCVSMYWOKQQNCW-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
Cc1cc(NC(=O)c2ccccc2)c([N+](=O)[O-])cc1C	4950005	FWYFKFICZHVTHS-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
Cc1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1[N+](=O)[O-]	2637459	RVVIKUKXYVHJSA-LBPRGKRZSA-N	296.326	3.495	5	50	CGBA	
Cc1cc2c(cc1[N+](=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1-2	3092726	SJCBWAYIHROXIY-UHFFFAOYSA-N	284.227	3.023	5	50	CGBA	
O=[N+]([O-])c1c(O)ccc2cc(Br)ccc12	139019263	FREZGNRMOFFLRR-UHFFFAOYSA-N	268.066	3.216	5	50	CGBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCCCC1	5060746	YYOHHSLXMDWRGO-UHFFFAOYSA-N	263.297	3.003	5	50	CGBA	
CCN(CC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	45929495	YCRLQFGZAVITNT-UHFFFAOYSA-N	262.231	3.460	5	50	CGBA	
Cc1ccc2c(c1)Oc1ccc([N+](=O)[O-])cc1C(=O)N2	4105269	PTULHSNFKGQOAW-UHFFFAOYSA-N	270.244	3.261	5	50	CGBA	
COc1cccc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1	1061337	CUAMOYSFHBVWRB-UHFFFAOYSA-N	270.244	3.412	5	50	CGBA	
O=C(NCc1ccccc1)OCc1ccc([N+](=O)[O-])cc1	5736835	DUNJWJJQJBAYAT-UHFFFAOYSA-N	286.287	3.021	5	50	CGBA	
Cc1cc(C(=O)NC(C(C)C)C(C)C)ccc1[N+](=O)[O-]	4839494	QBYPNASYQWAMPJ-UHFFFAOYSA-N	278.352	3.314	5	50	CGBA	
COc1ccc(C)cc1NC(=O)c1cccc([N+](=O)[O-])c1	299887	FXXGHSHTBOTCTL-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
O=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	333620	AMEPOKMBRWHPGX-UHFFFAOYSA-N	293.282	3.260	5	50	CGBA	
CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	449747	WGKCRNUHNWGSDQ-MRVPVSSYSA-N	270.716	3.167	5	50	CGBA	
O=c1occ2c3cc(O)ccc3oc3ccc(O)c1c32	199152852	DHSASSJDMAHICE-UHFFFAOYSA-N	268.224	3.104	5	50	CGBA	
Cc1cc(Br)c(Cl)cc1[N+](=O)[O-]	89157459	TZHVMSQOHKXEFX-UHFFFAOYSA-N	250.479	3.319	5	50	CGBA	in-vitro
C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	13603409	SDCFKPZPGFJOSW-AOOOYVTPSA-N	296.754	3.366	5	50	CGBA	
Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1C	101927	KUXBJIXXVRBBIY-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2c1	297846	PACRMTWAYUPJIE-UHFFFAOYSA-N	253.261	3.447	5	50	CGBA	
N=C1Cc2ccccc2CN1c1ccc([N+](=O)[O-])cc1	22782473	ICVDCQVJKXGIEJ-UHFFFAOYSA-N	267.288	3.135	5	50	CGBA	
COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	311500	BCMXRJDTYFKZMG-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
Cc1cccc(C)c1OC(=O)c1ccc([N+](=O)[O-])cc1	129584	PCZANRKKXUTPAE-UHFFFAOYSA-N	271.272	3.431	5	50	CGBA	
Cc1cccc2c(=O)oc(-c3cccc([N+](=O)[O-])c3)nc12	138780	XXNMMBXJUQVVOM-UHFFFAOYSA-N	282.255	3.072	5	50	CGBA	
CN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	4776688	FRZSXHHMIPVJOB-UHFFFAOYSA-N	285.303	3.259	5	50	CGBA	
Cc1cc(NCc2noc3ccccc23)ncc1[N+](=O)[O-]	225386935	JBFBQEAGXRGIMY-UHFFFAOYSA-N	284.275	3.052	5	50	CGBA	
Cc1csc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1	433127	IVTTXSDUEZRXDK-UHFFFAOYSA-N	297.723	3.265	5	50	CGBA	
Cc1cc(Oc2ncnc(N)c2[N+](=O)[O-])cc(C(C)C)c1	3912749	QUPUAJKIPBMVMR-UHFFFAOYSA-N	288.307	3.191	5	50	CGBA	
O=C(O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-]	167335	JKQAUGZFUBAVKQ-UHFFFAOYSA-N	283.236	3.286	5	50	CGBA	aggregator
c1ccc2c(c1)nc(N1CCOCC1)c1ccccc12	19205347	SYUYWVFBFIUJND-UHFFFAOYSA-N	264.328	3.225	5	50	CGBA	
O=C(O)/C(=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1	1756751	JXVPBSPAIXEUPB-GXDHUFHOSA-N	269.256	3.220	5	50	CGBA	
Cc1ccc(CN(C)Cc2scnc2C)cc1[N+](=O)[O-]	179426724	WZKRTPBWVCAMTG-UHFFFAOYSA-N	291.376	3.300	5	50	CGBA	
O=c1[nH]c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc12	18155871	ZRKBGTUWFGKHKQ-JXMROGBWSA-N	293.282	3.002	5	50	CGBA	
Cc1ccc(NC(=O)NCCc2ccccc2)cc1[N+](=O)[O-]	2172215	GOICDDDENDQBEJ-UHFFFAOYSA-N	299.330	3.267	5	50	CGBA	
COc1cc(Br)c(Cl)c([N+](=O)[O-])c1	67799984	AGALCFNGQFRMIE-UHFFFAOYSA-N	266.478	3.019	5	50	CGBA	
CCOC(=O)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1	225876132	CVVMBCXAIQNESO-UHFFFAOYSA-N	278.308	3.126	5	50	CGBA	
C[C@@H](CCc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1	454893	NUMGUMBLMUQEKK-ZDUSSCGKSA-N	298.342	3.346	5	50	CGBA	
Cc1cccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1	472033	GDEWFJDQIBLKEB-NSHDSACASA-N	285.303	3.040	5	50	CGBA	
Cc1ccc(C)c(Nc2ccc([N+](=O)[O-])c3nonc23)c1	3879022	RIBYKGHUDQRONT-UHFFFAOYSA-N	284.275	3.491	5	50	CGBA	
O=c1c2cc(O)cc3cccc(c32)c2nc3ccccc3n12	545563	OGZGEVPFSSYVDY-UHFFFAOYSA-N	286.290	3.298	5	50	CGBA	
O=[N+]([O-])c1ccc2c(c1)Cc1ccc([N+](=O)[O-])cc1-2	2167951	LWTCPASDEATMPL-UHFFFAOYSA-N	256.217	3.074	5	50	CGBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(C)c1	4070849	SJRQDHIOZONYMV-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
COc1ccccc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1	4568533	RVXOFACJJMKRHR-UHFFFAOYSA-N	297.270	3.320	5	50	CGBA	
O=C(O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	346182	MBGUREXFPRWNKS-UHFFFAOYSA-N	275.285	3.444	5	50	CGBA	in-vitro
C[C@@H](C(=O)Nc1ccccc1F)c1ccc([N+](=O)[O-])cc1	471324	FJLBXQXVRHIZMM-SNVBAGLBSA-N	288.278	3.476	5	50	CGBA	
Cc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1	3879017	DYFVQEJIEXNEAE-UHFFFAOYSA-N	270.248	3.183	5	50	CGBA	
O=[N+]([O-])c1ccc(NCc2ccco2)c2ncccc12	4537992	OLCOTRDXGCOWGP-UHFFFAOYSA-N	269.260	3.348	5	50	CGBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CCCCC1	63860	HIEZWSRCZFCODX-MDZDMXLPSA-N	274.320	3.057	5	50	CGBA	
CC[C@@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-]	460678	YKUWEINLKZCLDF-SECBINFHSA-N	269.322	3.029	5	50	CGBA	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1F	2846755	IHFYEWZOGRAPDS-UHFFFAOYSA-N	275.235	3.091	5	50	CGBA	
O=C(Oc1ccccc1Cl)c1cccc([N+](=O)[O-])c1	275477	OQZVXVPRIGQLKS-UHFFFAOYSA-N	277.663	3.467	5	50	CGBA	
COC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1	39122759	SQYICIHIPMRTPD-UHFFFAOYSA-N	257.245	3.048	5	50	CGBA	
CN(CCc1ccccc1Cl)c1ncc([N+](=O)[O-])s1	71771475	UHQQNDBVXZCBJZ-UHFFFAOYSA-N	297.767	3.384	5	50	CGBA	
C[C@@H]([C@H](O)c1ccccc1)[N+](C)(C)Cc1ccccc1	163980	GEBWLJOOGXIBCH-YJBOKZPZSA-N	270.396	3.385	5	50	CGBA	
O=[N+]([O-])c1ccccc1CCc1ccccc1[N+](=O)[O-]	1760649	YBOZRPPSBVIHGJ-UHFFFAOYSA-N	272.260	3.288	5	50	CGBA	
C[N+](C)(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	2546532	GKFAUNWUHVSKDE-UHFFFAOYSA-N	261.301	3.061	5	50	CGBA	
O=C(NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	3480011	MRQPJXPBUJWTDD-UHFFFAOYSA-N	290.706	3.178	5	50	CGBA	
O=C(O)/C(=C/c1ccccc1[N+](=O)[O-])c1ccccc1	4917896	YLWQPIVSPODKCB-JLHYYAGUSA-N	269.256	3.220	5	50	CGBA	
CC(=O)COc1cc(C)c2c(c1)oc(=O)c1ccccc12	472465	WRORDMUWAPVGSA-UHFFFAOYSA-N	282.295	3.222	5	50	CGBA	biogenic
CCOc1ccc(C(F)(F)F)c(F)c1[N+](=O)[O-]	261493818	JZIZHRNQMNEDKM-UHFFFAOYSA-N	253.151	3.151	5	50	CGBA	
Cc1ccc(-c2nc(-c3cccnc3)no2)cc1[N+](=O)[O-]	78905	WDIOXVKXEPBBAT-UHFFFAOYSA-N	282.259	3.015	5	50	CGBA	
CC(C)(C)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1	1841374	FRFMLDNFLXIDSH-UHFFFAOYSA-N	258.661	3.454	5	50	CGBA	
C[C@H]1Cc2ccccc2N1C(=O)Cc1ccccc1[N+](=O)[O-]	2872876	JDONOQNNECXBQI-LBPRGKRZSA-N	296.326	3.115	5	50	CGBA	
O=[N+]([O-])c1ccc(-n2cnc3ccccc32)c(F)c1	168521124	GCHDEEQMZZEMNX-UHFFFAOYSA-N	257.224	3.073	5	50	CGBA	
CC(C)(C)OC(=O)n1cc(C=O)c2cc([N+](=O)[O-])ccc21	2563735	CGVAPQUBCFFZMC-UHFFFAOYSA-N	290.275	3.145	5	50	CGBA	in-vitro
COc1cc(COc2cccc([N+](=O)[O-])c2)cc(OC)c1	3051755	SLGWUXBAYWWPHA-UHFFFAOYSA-N	289.287	3.191	5	50	CGBA	
CCOc1ccc(NC(=O)c2cccs2)c([N+](=O)[O-])c1	4069937	NQUGHEMKVNVREP-UHFFFAOYSA-N	292.316	3.307	5	50	CGBA	
Cc1c(Br)cc(OC(F)F)cc1[N+](=O)[O-]	263625302	YNJYZMLNIBXGJG-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
Cc1ccc(NC(=O)N2CCCC[C@@H]2C)cc1[N+](=O)[O-]	1753775	WCBANESKAVBDIP-NSHDSACASA-N	277.324	3.310	5	50	CGBA	
Cn1c(CO)c(-c2ccccc2)c2cc([N+](=O)[O-])ccc21	204361	GNJUKVGDCUKDLF-UHFFFAOYSA-N	282.299	3.246	5	50	CGBA	in-vitro
O=[N+]([O-])c1cc(Br)cc(Br)c1	1675954	ZWBHGBWABMAWOV-UHFFFAOYSA-N	280.903	3.120	5	50	CGBA	in-vitro
Cc1cc(N2Cc3ccccc3C2=O)cc(C)c1[N+](=O)[O-]	252478720	ATAQSFULZVVRHB-UHFFFAOYSA-N	282.299	3.372	5	50	CGBA	
O=[N+]([O-])c1cc(F)cc(Br)c1Cl	261507097	FGCBAUIHTCOYPV-UHFFFAOYSA-N	254.442	3.150	5	50	CGBA	
C[C@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1	4010536	FWMDTGBFOQCZFU-VIFPVBQESA-N	282.727	3.120	5	50	CGBA	
O=C(O)c1ccc(-c2ccc([N+](=O)[O-])c(F)c2)cc1	725271336	CXWFAHCUBQLFBW-UHFFFAOYSA-N	261.208	3.099	5	50	CGBA	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H]1CCCO1	3880633	VZNCLUWURSSLNS-SECBINFHSA-N	290.241	3.205	5	50	CGBA	
C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	438101	VJDGIYDEJYVACD-CNELAYHGSA-N	296.326	3.485	5	50	CGBA	
Cc1c(-c2nc(-c3ccncc3)no2)cccc1[N+](=O)[O-]	78902	VKBWVLLOQQREGN-UHFFFAOYSA-N	282.259	3.015	5	50	CGBA	
O=[N+]([O-])c1ccc(COc2ccc(CO)cc2Cl)cc1	473709	ZJEMQJCFKBZZAW-UHFFFAOYSA-N	293.706	3.320	5	50	CGBA	
O=[N+]([O-])c1cc(Br)c(OC(F)F)cc1F	263623226	FSCPGXUORBQXFP-UHFFFAOYSA-N	286.003	3.098	5	50	CGBA	
CCc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1	242208	SGZLKMULGJFCMM-UHFFFAOYSA-N	270.288	3.410	5	50	CGBA	
O=C(NCc1cccs1)c1cc(Cl)ccc1[N+](=O)[O-]	2767033	HVWJQUYAVOJAJW-UHFFFAOYSA-N	296.735	3.240	5	50	CGBA	
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCCCC1	465759	STQXZZDJDBICBC-MDZDMXLPSA-N	274.320	3.011	5	50	CGBA	
CCCCN(CC)C(=O)c1ccc(C)c([N+](=O)[O-])c1	2739487	UIKVXLLJGBODIO-UHFFFAOYSA-N	264.325	3.165	5	50	CGBA	
CCOC(=O)c1sc(-c2ccc([N+](=O)[O-])cc2)nc1C	4090408	YRVCNCOSVJJZKK-UHFFFAOYSA-N	292.316	3.203	5	50	CGBA	
Cc1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]	5678013	PCCAHRXMUCLOQP-UHFFFAOYSA-N	261.325	3.025	5	50	CGBA	
CC[n+]1ccc(/C=C/c2cccc([N+](=O)[O-])c2)cc1	1606124	QBBKXVFDWVKZCD-VOTSOKGWSA-N	255.297	3.073	5	50	CGBA	
Cc1cc(Cl)c(Br)cc1[N+](=O)[O-]	35635948	AYBMAXWOTGLSBQ-UHFFFAOYSA-N	250.479	3.319	5	50	CGBA	in-vitro
CCC[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C	4599563	QIXBISKXRSQSFL-SECBINFHSA-N	250.298	3.278	5	50	CGBA	
O=[N+]([O-])c1c(N2CCCCC2)ccc2ncccc12	36533470	CSULJRUBZZPJLD-UHFFFAOYSA-N	257.293	3.133	5	50	CGBA	
O=C(O)c1ccc([N+](=O)[O-])c(Nc2ccccc2)c1	95217827	FVXNMUOKCJIVSY-UHFFFAOYSA-N	258.233	3.037	5	50	CGBA	
O=[N+]([O-])c1c(F)ccc(Br)c1Br	263624528	RHSOYBAUCPLQKF-UHFFFAOYSA-N	298.893	3.259	5	50	CGBA	
CC(C)N(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(C)C	63802	DIVHLQIHPPWRRY-CMDGGOBGSA-N	276.336	3.253	5	50	CGBA	
O=C(Nc1cccc(F)c1)Nc1cccc([N+](=O)[O-])c1	1753342	KCBTVNMPNIYQDF-UHFFFAOYSA-N	275.239	3.378	5	50	CGBA	
Cc1cc([N+](=O)[O-])c(OC(F)F)cc1Br	263625167	XICULKZPMDNCCQ-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
CCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	24605624	OVKHMXKMNWEQHF-UHFFFAOYSA-N	271.272	3.439	5	50	CGBA	in-vitro
Cc1cc(OCc2cccc(C(=O)O)c2)ccc1[N+](=O)[O-]	2521414	WQIOIFZOTJBMAW-UHFFFAOYSA-N	287.271	3.180	5	50	CGBA	
C[C@H](CCc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-]	454761	XICOIGOYGLGAKZ-CYBMUJFWSA-N	298.342	3.346	5	50	CGBA	
Cc1nn(Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-]	181817537	QCMKDUVROVTNIL-UHFFFAOYSA-N	285.225	3.167	5	50	CGBA	
Cc1ccc(COc2ccc([N+](=O)[O-])cc2C=O)cc1	566820	AUZKLAKXJFBHOX-UHFFFAOYSA-N	271.272	3.295	5	50	CGBA	
C[C@@H]1Cc2ccccc2N1C(=O)Cc1ccccc1[N+](=O)[O-]	2872877	JDONOQNNECXBQI-GFCCVEGCSA-N	296.326	3.115	5	50	CGBA	
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)C(C)C	4615096	KQZSOAUOCSMMDU-UHFFFAOYSA-N	256.689	3.151	5	50	CGBA	
COc1c(Br)cc(Cl)cc1[N+](=O)[O-]	22129874	SBXLTJMCTVOQGC-UHFFFAOYSA-N	266.478	3.019	5	50	CGBA	in-vitro
O=[N+]([O-])c1cc(Cl)c(Br)cc1F	38777567	DIPJMSNYGIUYII-UHFFFAOYSA-N	254.442	3.150	5	50	CGBA	in-vitro
Cc1c([N+](=O)[O-])ccc(OC(F)F)c1Br	263624809	UKWHYKNTZPJCNY-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
O=C(Oc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1	860456	DYQFVXHQRMKQBU-UHFFFAOYSA-N	277.663	3.467	5	50	CGBA	
CC1CCN(C(=S)c2cccc([N+](=O)[O-])c2)CC1	617831	CKZQEUISGHAMAO-UHFFFAOYSA-N	264.350	3.002	5	50	CGBA	
C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1	2164956	IQAAIDFAGBSKDA-NSHDSACASA-N	298.298	3.052	5	50	CGBA	
Cc1nc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)o1	225796103	POLLURWEYQMEPN-UHFFFAOYSA-N	295.682	3.105	5	50	CGBA	
O=[N+]([O-])c1cc(Br)cnc1NC1CCCC1	38537011	HWETUADXWHBETB-UHFFFAOYSA-N	286.129	3.107	5	50	CGBA	in-vitro
Cc1cccc(-c2cc(C(=O)O)cc([N+](=O)[O-])c2)c1	77031932	FRYFCZOBPJEQJY-UHFFFAOYSA-N	257.245	3.268	5	50	CGBA	in-vitro
COc1cccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1	464248	HCFMNVVSHKRRTJ-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
O=C(NC[C@H]1CC=CCC1)c1cccc(Cl)c1[N+](=O)[O-]	149195047	TVPKEOYIJYQBED-JTQLQIEISA-N	294.738	3.334	5	50	CGBA	
CCC[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	456601	ZTIAFSTUFTTWNL-QMMMGPOBSA-N	254.261	3.109	5	50	CGBA	
O=C(NCc1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1	609418	GEXKWUMRGDTAMQ-UHFFFAOYSA-N	289.266	3.056	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)cc1	437859	MHQWXCLNBGBCSQ-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
Nc1cccc2nc3c4cccc5cccc(c(=O)n3c12)c54	13230099	YPBAPYSOFKTDLD-UHFFFAOYSA-N	285.306	3.174	5	50	CGBA	
O=[N+]([O-])c1cccc(CN2CCc3ccccc3C2)c1	19537044	QBJNCUIXIUYYKO-UHFFFAOYSA-N	268.316	3.153	5	50	CGBA	
Cc1c(C(=O)N(C)Cc2ccccc2)cccc1[N+](=O)[O-]	4010913	NSJRVONEBIATAO-UHFFFAOYSA-N	284.315	3.175	5	50	CGBA	
Cc1c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-]	40454343	XMWRWTSZNLOZFN-UHFFFAOYSA-N	297.267	3.326	5	50	CGBA	in-vitro
Cc1ccc(C(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-]	176817	KKQCOYDDVJWEEF-UHFFFAOYSA-N	276.336	3.308	5	50	CGBA	
CN(C)c1ccc2nc3ccc(N)cc3[s+]c2c1	3861457	FXONXBFTEMLSRZ-UHFFFAOYSA-N	256.354	3.379	5	50	CGBA	in-vitro
O=C(Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl	4828453	JHZWUTKPVXQRFW-UHFFFAOYSA-N	290.706	3.429	5	50	CGBA	
C[C@H]1CCCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	4904488	MKJVAUBXOGXYCU-PMDBQALLSA-N	274.320	3.009	5	50	CGBA	
C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[C@H]2CC[C@H]1C2	101705090	RMHAGYCHBZKSPN-OWTLIXCDSA-N	288.347	3.149	5	50	CGBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(C(F)(F)F)c1	1847470	RLXKADBMLQPLDV-UHFFFAOYSA-N	270.550	3.175	5	50	CGBA	biogenic,in-vitro
Cc1ccc(COc2c(C)cc([N+](=O)[O-])cc2N)cc1	334161101	TUGAMFIJODKZFG-UHFFFAOYSA-N	272.304	3.373	5	50	CGBA	
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1	464588	HKSFOPXVXLLJIN-BJMVGYQFSA-N	286.262	3.386	5	50	CGBA	
CC1CCN(CCCCOc2ccccc2[N+](=O)[O-])CC1	2957222	FUGFLZGGLPTLSE-UHFFFAOYSA-N	292.379	3.486	5	50	CGBA	
CCC[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C	372634	FJQAEIWKLICZKC-SNVBAGLBSA-N	250.298	3.278	5	50	CGBA	
Cc1ccn2cc(-c3cccc([N+](=O)[O-])c3)nc2c1	169280	ZJQYLKVDBSTLMC-UHFFFAOYSA-N	253.261	3.218	5	50	CGBA	biogenic
Cc1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)cc1[N+](=O)[O-]	300905	BYZAYPJHKXBYHG-RYUDHWBXSA-N	274.320	3.278	5	50	CGBA	
CN(C(=O)Oc1ccccc1[N+](=O)[O-])c1ccccc1	473175	ZXKPVAWMWIGLCV-UHFFFAOYSA-N	272.260	3.230	5	50	CGBA	
O=Cc1cc([N+](=O)[O-])ccc1OCc1ccccc1F	1056966	NNWMDVSTQUHUIW-UHFFFAOYSA-N	275.235	3.125	5	50	CGBA	
COC(=O)c1ccc(SC2CCCC2)c([N+](=O)[O-])c1	4761598	AFIRPIUXGBESKU-UHFFFAOYSA-N	281.333	3.416	5	50	CGBA	
O=C(Nc1cc(F)cc([N+](=O)[O-])c1)OCc1ccccc1	261494015	OAWDACAERHIYJM-UHFFFAOYSA-N	290.250	3.483	5	50	CGBA	
CC(C)(C)C(=O)CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl	185497	HJVPUVSOKRKPPC-UHFFFAOYSA-N	298.726	3.192	5	50	CGBA	
COC(=O)c1cc2oc(-c3ccccc3[N+](=O)[O-])cc2[nH]1	6792885	GXAOATYQKJFILK-UHFFFAOYSA-N	286.243	3.123	5	50	CGBA	
c1ccc2c(c1)CC[N+]21CC[N+]2(CCc3ccccc32)CC1	1234752	QXOVUYIDCBLEGH-UHFFFAOYSA-N	292.426	3.127	5	50	CGBA	
Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1	450125	IVXPNHBDXKAHRJ-UHFFFAOYSA-N	255.273	3.443	5	50	CGBA	
O=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12	454752	QTPRVUJWBJZGNE-UHFFFAOYSA-N	280.283	3.410	5	50	CGBA	
O=[N+]([O-])c1ccc2c(cnn2Cc2ccc(F)cc2)c1	73698715	XZTQOLZBKIYIQF-UHFFFAOYSA-N	271.251	3.132	5	50	CGBA	
Cc1c(C(=O)Nc2ccc(F)c(F)c2)cccc1[N+](=O)[O-]	437020	SSUWIKHINXMVLA-UHFFFAOYSA-N	292.241	3.434	5	50	CGBA	
O=[N+]([O-])c1cc(F)c(OCc2ccccc2)c(F)c1	59679263	NOIXWFOGRRGFAM-UHFFFAOYSA-N	265.215	3.452	5	50	CGBA	
COc1cccc(COc2c(Cl)cncc2[N+](=O)[O-])c1	253418058	YTJGLNWNJKFXOZ-UHFFFAOYSA-N	294.694	3.231	5	50	CGBA	
Cc1cc(C(=O)Nc2ccc(Cl)cn2)ccc1[N+](=O)[O-]	225373	HARDPARLZXTOIR-UHFFFAOYSA-N	291.694	3.204	5	50	CGBA	
Cc1c(OC(F)F)ccc(Br)c1[N+](=O)[O-]	263624559	ROWLBDXQTGZSKQ-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
Cc1cc([C@@H](C)Nc2ncc([N+](=O)[O-])s2)c(C)o1	189685315	FEXJWYWLCWZRNX-SSDOTTSWSA-N	267.310	3.434	5	50	CGBA	
Cc1cc2nc(-c3ccccc3)cn2cc1[N+](=O)[O-]	34361353	OHFYFVMAQPTNGX-UHFFFAOYSA-N	253.261	3.218	5	50	CGBA	
CC[N+](CC)(CC)CCCC[N+]1(CC)CCCC1	1775970541	FRLRLNMFDDEMEU-UHFFFAOYSA-N	256.478	3.274	5	50	CGBA	
Cc1nc(Cl)c(C(=O)NCCC(C)C)c(C)c1[N+](=O)[O-]	95113	NPEWSRWDEQFKOY-UHFFFAOYSA-N	299.758	3.036	5	50	CGBA	
C[C@@H](C(=O)N(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1	472120	SVIKBFCEEPDUCX-GFCCVEGCSA-N	284.315	3.361	5	50	CGBA	
CC(=O)Nc1ccccc1-c1ccccc1[N+](=O)[O-]	4428614	APAZIVOTUNMIEX-UHFFFAOYSA-N	256.261	3.220	5	50	CGBA	
Cc1c(Br)ccc([N+](=O)[O-])c1OC(F)F	263625369	ZGZLIJQDHZNXAV-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
C[C@H]1C[C@@H](C)CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1	16225854	HMBWCLZWWZMIHT-CZXYNIEVSA-N	288.347	3.113	5	50	CGBA	
C[C@@H](C(=O)O)c1ccc2oc3ccccc3c(=O)c2c1	6037123	JUCCZCZDAPBGIV-SECBINFHSA-N	268.268	3.134	5	50	CGBA	in-vitro
Cc1ccc(C(=O)OCc2cccc(F)c2)cc1[N+](=O)[O-]	1078926	BIZPLPHWKBTBHY-UHFFFAOYSA-N	289.262	3.399	5	50	CGBA	
CCN1c2ccccc2[S@@](=O)c2cc([N+](=O)[O-])ccc21	4352935	ITBLSYQCKBREGR-FQEVSTJZSA-N	288.328	3.233	5	50	CGBA	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(F)cc1	439075	UMOVUUSYZDWHEX-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
O=[N+]([O-])c1cccc(-c2noc(-c3ccc(F)cc3)n2)c1	78448	PHSKMUVSVYQIRN-UHFFFAOYSA-N	285.234	3.451	5	50	CGBA	in-vitro
CC(C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	442221	GYLIIYZFKBXNKR-UHFFFAOYSA-N	270.716	3.024	5	50	CGBA	
CC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)c1ccccc12	500419	NTCZZFLTUKWCHE-LLVKDONJSA-N	282.295	3.303	5	50	CGBA	
CC(=O)Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2	1841591	SKWHFLFJZQKVIV-UHFFFAOYSA-N	268.272	3.124	5	50	CGBA	
CC/C=C/CCOC(=O)Nc1ccc([N+](=O)[O-])cc1	43761486	LXTWESRJXYKTCU-ONEGZZNKSA-N	264.281	3.500	5	50	CGBA	
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc([N+](=O)[O-])cc1Cl	101472799	KXDOSJYWKWOEIS-RVBZMBCESA-N	294.738	3.167	5	50	CGBA	
O=C(Nc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1	103260	FLEGWDNQYJYYOD-UHFFFAOYSA-N	299.311	3.457	5	50	CGBA	
O=[N+]([O-])c1c(Cl)cc(Cl)c([N+](=O)[O-])c1Cl	1680816	BPMOJGOPWSCNHJ-UHFFFAOYSA-N	271.443	3.463	5	50	CGBA	
O=c1oc2ccccc2c(NC2CCCCC2)c1[N+](=O)[O-]	4256647	KJQQNAKIGJWQDB-UHFFFAOYSA-N	288.303	3.446	5	50	CGBA	
O=[N+]([O-])c1cccc(-c2noc(-c3cccc(F)c3)n2)c1	467616	NUQJWVUKSZTPSZ-UHFFFAOYSA-N	285.234	3.451	5	50	CGBA	
O=[N+]([O-])c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1	4347691	CGNCMUWOBHOSEQ-UHFFFAOYSA-N	265.269	3.248	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2csc(-c3cnc[nH]3)n2)cc1	611158075	VVHZBOUGTPSVNK-UHFFFAOYSA-N	272.289	3.108	5	50	CGBA	
COC(=O)c1cc(F)cc(-c2ccccc2[N+](=O)[O-])c1	97757351	DHIKNRBGQROOEG-UHFFFAOYSA-N	275.235	3.188	5	50	CGBA	
COc1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-]	103390	OKTCZURTMGDHBW-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
O=[N+]([O-])c1cccc([C@@H]2NCCc3c2[nH]c2ccccc32)c1	19301129	URZDISYKQVHHJG-INIZCTEOSA-N	293.326	3.311	5	50	CGBA	
O=[N+]([O-])c1ccc(OC(F)F)c(OC(F)(F)F)c1	263624818	UMNHKQSKDKVZJC-UHFFFAOYSA-N	273.113	3.095	5	50	CGBA	
O=[N+]([O-])c1cc(Br)c(Br)cc1F	263623901	LRCZUASJNJXPAY-UHFFFAOYSA-N	298.893	3.259	5	50	CGBA	
O=[N+]([O-])c1cc(OC(F)F)cc(Br)c1F	263623683	JRSTTYXESSWYMH-UHFFFAOYSA-N	286.003	3.098	5	50	CGBA	
COc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)ccc1O	184566	MXVJQFUHKLOOCR-NSCUHMNNSA-N	271.272	3.479	5	50	CGBA	
CCN(CC)C(=S)Sc1ccc([N+](=O)[O-])cc1	372035	PCVKDUZETPAMDY-UHFFFAOYSA-N	270.379	3.314	5	50	CGBA	
COc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1	614346	JQNMPYYKOKJEAD-UHFFFAOYSA-N	259.261	3.182	5	50	CGBA	
CCCCCOC(=O)CCCCCCC[N+](=O)[O-]	45068411	PIDRSRJVRBKHLL-UHFFFAOYSA-N	259.346	3.337	5	50	CGBA	
Cc1c(NC(=O)c2cccc(F)c2)cccc1[N+](=O)[O-]	859801	OSNYMDQXTJDIBW-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
Cc1cccc([C@H]2CCCN2c2ncc([N+](=O)[O-])s2)n1	192494277	AFEXRZRNALGPSM-LLVKDONJSA-N	290.348	3.096	5	50	CGBA	
COc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	437547	YHWNZULYVIQJRN-CMDGGOBGSA-N	298.298	3.255	5	50	CGBA	
CC1(c2ccc(Br)cc2[N+](=O)[O-])CC1	4006179	FMIBRRGLOOUUTF-UHFFFAOYSA-N	256.099	3.409	5	50	CGBA	
Cc1c([N+](=O)[O-])ccc(Br)c1OC(F)F	263624823	UNEGLBTZTNGZGT-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
O=[N+]([O-])c1c(Br)ccc(Br)c1F	263624033	MVRXBTHSLILSFX-UHFFFAOYSA-N	298.893	3.259	5	50	CGBA	
CCCOc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1	261493438	BBPYQAYKMTUKOE-UHFFFAOYSA-N	265.187	3.282	5	50	CGBA	
Cc1ccc(/C=C/C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)o1	473490	MYMQCJLDJAHGQF-FNORWQNLSA-N	290.250	3.287	5	50	CGBA	
O=[N+]([O-])c1ccc(OC(F)(F)F)c(Br)c1	2541330	LVTAFGFYMLODQP-UHFFFAOYSA-N	286.003	3.256	5	50	CGBA	in-vitro
Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1	38682	NYWOKPIPFJKSFW-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
Cc1cc(C)cc(OC(=O)c2ccccc2[N+](=O)[O-])c1	309994	UTBNFEAUXMXAJS-UHFFFAOYSA-N	271.272	3.431	5	50	CGBA	
Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1[N+](=O)[O-]	438573	DMFBPWOAFFCOPE-UHFFFAOYSA-N	292.241	3.434	5	50	CGBA	
CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	614237	GOQKVYMPNNCTCH-HNNXBMFYSA-N	284.315	3.476	5	50	CGBA	
O=[N+]([O-])c1ccnc(OC2CCCCC2)c1Cl	261494210	RYGFPRFDFBAUCJ-UHFFFAOYSA-N	256.689	3.355	5	50	CGBA	
Cc1cc(C(=O)Oc2ccc(F)cc2)ccc1[N+](=O)[O-]	60944	LAGCXVCCMPWIFQ-UHFFFAOYSA-N	275.235	3.262	5	50	CGBA	
C[C@H]1CCC[C@H](NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1	5676088	YSXYPPBKFNCCQB-AAEUAGOBSA-N	292.335	3.400	5	50	CGBA	
C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1	102195	LJVWVOJPPPDGSV-UWVGGRQHSA-N	296.754	3.366	5	50	CGBA	
Cc1nc2oc3ccc(Cl)cc3c(=O)c2cc1C(=O)O	2508412	KCLDKWDFEUHNBK-UHFFFAOYSA-N	289.674	3.001	5	50	CGBA	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1	101726	CYKZXCDSJNBIMA-UHFFFAOYSA-N	266.640	3.094	5	50	CGBA	
CCCCNCCCOc1ccc(C)cc1[N+](=O)[O-]	3461124	KIIUURIKEYBZRL-UHFFFAOYSA-N	266.341	3.062	5	50	CGBA	
O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	238077	HDIHNBCCQWMVBW-UHFFFAOYSA-N	267.624	3.206	5	50	CGBA	in-vivo
CC1=CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	230809176	PNPBKZRVWWSKJK-UHFFFAOYSA-N	280.711	3.040	5	50	CGBA	
CCCCCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1	5418056	UDNDRILXTZIMNW-UHFFFAOYSA-N	264.325	3.213	5	50	CGBA	
CC(C)c1cc(Br)c(N)c([N+](=O)[O-])c1	71792241	RWWIASQSAKBECE-UHFFFAOYSA-N	259.103	3.063	5	50	CGBA	
COc1cc2sc3ccccc3c(=O)c2cc1OC	4010379	PSAMJLCXDLHGJY-UHFFFAOYSA-N	272.325	3.432	5	50	CGBA	
O=[N+]([O-])c1cc(Cl)c(N2CCCCN2)c(Cl)c1	253431986	ZHPWSCZIUBCYJM-UHFFFAOYSA-N	276.123	3.006	5	50	CGBA	
O=[N+]([O-])c1ccc(/C=C/CNc2cccc(F)c2)o1	2894139	VCUIDBYSRPBCPN-GORDUTHDSA-N	262.240	3.452	5	50	CGBA	
C[N@+]12CCCC[C@@H]1[C@H](COC(=O)c1ccccc1)CCC2	252441093	FWQJGKVXIDRPGT-YQVWRLOYSA-N	288.411	3.253	5	50	CGBA	biogenic
CCCCN(CC)C(=O)/C=C/c1cccc([N+](=O)[O-])c1	2739556	RYSLJVPKHFHCCH-MDZDMXLPSA-N	276.336	3.257	5	50	CGBA	
CC1=CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1	435589526	SQIZQFWEGXGKAZ-UHFFFAOYSA-N	269.304	3.299	5	50	CGBA	
Cc1c(Br)cc([N+](=O)[O-])cc1Br	2517088	HGDQAFSQPJJIFA-UHFFFAOYSA-N	294.930	3.428	5	50	CGBA	in-vitro
O=C(O)c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1	506379	QEYBYUDBRCVEST-UHFFFAOYSA-N	297.650	3.118	5	50	CGBA	
COc1ccc(Nc2ncnc3ccccc23)c([N+](=O)[O-])c1	4858701	MNGBHRWJFAQHMH-UHFFFAOYSA-N	296.286	3.290	5	50	CGBA	
O=C(CCC1CCCCC1)Nc1ncc([N+](=O)[O-])s1	5009850	GQIBDZBCHWKFAG-UHFFFAOYSA-N	283.353	3.350	5	50	CGBA	
Cc1ccc(Nc2c([N+](=O)[O-])ccc3nonc23)cc1	4949507	UXNKWRWEHGQJBM-UHFFFAOYSA-N	270.248	3.183	5	50	CGBA	
C[C@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])CCCO1	408518399	FSFFOJGZNBYOHM-VIFPVBQESA-N	286.278	3.148	5	50	CGBA	
C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	103191	TYMCJGBVKJRKCM-NSHDSACASA-N	270.288	3.086	5	50	CGBA	in-vitro
O=[N+]([O-])c1cccc([C@H]2CC(c3ccccc3)=NN2)c1	282256	SBOLHAHQOAMFDO-OAHLLOKOSA-N	267.288	3.034	5	50	CGBA	
CC[C@H](C)NCCCCOc1ccc(C)cc1[N+](=O)[O-]	2824171	PNUQQKRCIUXUOC-ZDUSSCGKSA-N	280.368	3.450	5	50	CGBA	
COc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1C	4689089	CXDIUSIOHVNRLW-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
CCCN(CCC)c1ccc([N+](=O)[O-])c(Cl)n1	220972452	FBXCHBXANJLJAC-UHFFFAOYSA-N	257.721	3.270	5	50	CGBA	
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc([N+](=O)[O-])cc1Cl	101472797	KXDOSJYWKWOEIS-MWODSPESSA-N	294.738	3.167	5	50	CGBA	
Cc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)o1	476894	BLBLSXQLMOKKSD-UHFFFAOYSA-N	280.667	3.402	5	50	CGBA	
CCCCN(CC)C(=O)/C=C/c1ccccc1[N+](=O)[O-]	2729939	PEFABFCZGVGFPS-ZHACJKMWSA-N	276.336	3.257	5	50	CGBA	
C[C@H](C(=O)O)c1ccc2oc3ccccc3c(=O)c2c1	6030350	JUCCZCZDAPBGIV-VIFPVBQESA-N	268.268	3.134	5	50	CGBA	in-vitro
CC(C)OC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	4583061	UACAWPQJLSPDQJ-UHFFFAOYSA-N	258.661	3.205	5	50	CGBA	
O=[N+]([O-])c1cccc(OC(F)(F)F)c1OC(F)F	263624859	UTHLMNCGWBICMI-UHFFFAOYSA-N	273.113	3.095	5	50	CGBA	
CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1	246142	MDEBWTDAVKDBHH-UHFFFAOYSA-N	260.249	3.003	5	50	CGBA	
O=[N+]([O-])c1ccccc1NCCOc1ccccc1	4035919	PZJKHRQJHJKAFS-UHFFFAOYSA-N	258.277	3.086	5	50	CGBA	
O=C(c1ccc([N+](=O)[O-])cc1)c1coc2ccc(O)cc12	446124	JXMCPJYYTJFLRH-UHFFFAOYSA-N	283.239	3.278	5	50	CGBA	
Cc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	4010916	IZFDUPBWBGBEMM-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
Cc1cc(OCn2nc(C)c([N+](=O)[O-])c2C)ccc1Cl	2731982	FUPHJBRYQSPDAS-UHFFFAOYSA-N	295.726	3.406	5	50	CGBA	
Cc1cc(NC(=O)c2ccco2)c([N+](=O)[O-])cc1C	4794143	FEKNIMGJEITTMG-UHFFFAOYSA-N	260.249	3.057	5	50	CGBA	
Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C	329781	RVAMVTLZSAFRCP-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccs1	444111	QGQIPLTUSLHMSM-UHFFFAOYSA-N	276.317	3.146	5	50	CGBA	
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21	209654	CETZQQLFSOMPLK-UHFFFAOYSA-N	296.326	3.117	5	50	CGBA	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccs1	255521	XHKMCZQNJSJJGR-UHFFFAOYSA-N	266.253	3.048	5	50	CGBA	
O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccccc1)C2	38844511	YOSBGQUETRDJDU-UHFFFAOYSA-N	254.289	3.111	5	50	CGBA	
O=CNc1c2ccccc2c(NC=O)c2ccccc12	393841	PYSPQAXLYSCIOC-UHFFFAOYSA-N	264.284	3.130	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	43427368	OEAUPEOHNHSDSG-UHFFFAOYSA-N	289.203	3.078	5	50	CGBA	
O=[N+]([O-])c1ccccc1N1CCCC[C@@H]1c1cn[nH]c1	301505277	CNNPUGSAARQFLB-GFCCVEGCSA-N	272.308	3.050	5	50	CGBA	
C[C@H]1C[C@H](C)CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1	456592	WEBWUBDICLBMLX-XKZLPGLHSA-N	288.347	3.113	5	50	CGBA	
O=[N+]([O-])c1cccc(CN2CCCC[C@H]2c2cn[nH]c2)c1	114484599	KCLBWQWKTCIONV-HNNXBMFYSA-N	286.335	3.045	5	50	CGBA	
O=C1c2ccccc2C[N@+]1([O-])c1ccc(Cl)cc1	247397631	MOVYGUKRSLLDKU-INIZCTEOSA-N	259.692	3.499	5	50	CGBA	
O=[N+]([O-])c1cccc(-c2noc(-c3ccccc3F)n2)c1	468075	FKZRTJZTUNWGLX-UHFFFAOYSA-N	285.234	3.451	5	50	CGBA	in-vitro
Cc1cc(O)c(NC(=O)c2cccc([N+](=O)[O-])c2)cc1C	330824	GZVTURAYXZMNFJ-UHFFFAOYSA-N	286.287	3.170	5	50	CGBA	
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCC1	4701875	GGILXIWGGIKHNP-UHFFFAOYSA-N	296.326	3.426	5	50	CGBA	
O=[N+]([O-])c1ccc2[nH]cc(CN3CCCCC3)c2c1	2026808	OUZMDCXVRKYIHS-UHFFFAOYSA-N	259.309	3.062	5	50	CGBA	
O=[N+]([O-])c1ccc(CNCCc2ccc(F)cc2)cc1	19841330	YPXJMSHPWWJFJB-UHFFFAOYSA-N	274.295	3.066	5	50	CGBA	
O=C(c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	240961	CLFRUWPJQKSRRT-UHFFFAOYSA-N	261.664	3.479	5	50	CGBA	
Cc1c(Cl)c([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	7871178	JPOQYGXPWJDBLY-UHFFFAOYSA-N	251.025	3.118	5	50	CGBA	
CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	614238	GOQKVYMPNNCTCH-OAHLLOKOSA-N	284.315	3.476	5	50	CGBA	
Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1	282720	UCVPIFCIQNCTRN-UHFFFAOYSA-N	270.288	3.084	5	50	CGBA	
Cc1ccc(C(=O)NC2CCCCCC2)cc1[N+](=O)[O-]	102050	ODUUFWAYFKKGLL-UHFFFAOYSA-N	276.336	3.356	5	50	CGBA	
O=[N+]([O-])C=C1C=CC=CN1Cc1ccc(Cl)cc1	1857622224	MUXNVOQKKOLNPL-UHFFFAOYSA-N	262.696	3.344	5	50	CGBA	
CCCCc1c(C)c2cc([N+](=O)[O-])c(O)c(C)c2oc1=O	15218569	PSNFWPCXKUBHGV-UHFFFAOYSA-N	291.303	3.366	5	50	CGBA	biogenic
O=C(CCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F	38829	PIOCXBGIUURWJF-UHFFFAOYSA-N	288.278	3.305	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2nnc3ccc4ccccc4n23)cc1	454297	NJRPJKFVNPDERP-UHFFFAOYSA-N	290.282	3.458	5	50	CGBA	
COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	2895945	PPRYORMDEJTYDQ-UHFFFAOYSA-N	273.244	3.174	5	50	CGBA	
O=C(Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])o1	375216	JDBZJNUHQINERI-UHFFFAOYSA-N	266.640	3.094	5	50	CGBA	
C[C@H](CCc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1	454894	NUMGUMBLMUQEKK-CYBMUJFWSA-N	298.342	3.346	5	50	CGBA	
O=C(NC1CCCCC1)OCc1ccccc1[N+](=O)[O-]	38804939	NJMCHQONLVUNAM-UHFFFAOYSA-N	278.308	3.154	5	50	CGBA	in-vitro
Cc1nc(NC2CC(Cl)(Cl)C2)ccc1[N+](=O)[O-]	1187717469	UKXRCRNJHWEHMO-UHFFFAOYSA-N	276.123	3.046	5	50	CGBA	
Cc1ccc(C(=O)N(C)c2ccccc2[N+](=O)[O-])cc1	4954396	GLAGPMBWCYRKEJ-UHFFFAOYSA-N	270.288	3.180	5	50	CGBA	
Cc1cc(OCCN2CCCCCC2)ccc1[N+](=O)[O-]	4986111	CWQIRMHEVHBAKS-UHFFFAOYSA-N	278.352	3.158	5	50	CGBA	
COC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-]	167332	DQBWKRWWGCCGRK-UHFFFAOYSA-N	297.263	3.374	5	50	CGBA	
COc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	294152	MKLRJSBUIYHPQS-MDZDMXLPSA-N	298.298	3.255	5	50	CGBA	
CCc1ccc2[nH]c3nc(C)cc(C)c3c(=O)c2c1	8685840	DBZHPHGFYDFVDQ-UHFFFAOYSA-N	252.317	3.256	5	50	CGBA	
CCc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1	283130	MXRRDSFRCWYASK-UHFFFAOYSA-N	284.315	3.338	5	50	CGBA	
O=[N+]([O-])c1ccc(N2CC3CC2(c2ccccc2)C3)nc1	585099558	WBJSUWJVWTWESN-UHFFFAOYSA-N	281.315	3.115	5	50	CGBA	
Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)oc(=O)c2c1	188935	WTVJDXZDNBVXMJ-UHFFFAOYSA-N	282.255	3.072	5	50	CGBA	
Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1	298228	PFIPEWJKRTWVRM-UHFFFAOYSA-N	253.261	3.447	5	50	CGBA	
O=[N+]([O-])c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1	3880390	UBHCYMWPVWIKIM-UHFFFAOYSA-N	285.259	3.197	5	50	CGBA	
COC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	291604	VFXPDLXMSOHMNK-UHFFFAOYSA-N	271.681	3.250	5	50	CGBA	
O=[N+]([O-])c1cccc(CNc2ccc(F)c(F)c2)c1	280232	QGAKVDDRGAZJAN-UHFFFAOYSA-N	264.231	3.485	5	50	CGBA	
O=C(O)Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1	125014155	QUPAVEUNTVUMKB-UHFFFAOYSA-N	273.244	3.014	5	50	CGBA	
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])oc1ccccc12	34924933	NLPYRTDNEMYVHY-UHFFFAOYSA-N	270.244	3.453	5	50	CGBA	
COc1ccc(C(=O)Cc2ccccc2[N+](=O)[O-])cc1	38125870	VMTHHNDNDNVRIE-UHFFFAOYSA-N	271.272	3.029	5	50	CGBA	
O=[N+]([O-])c1c(OC(F)(F)F)ccc2ncccc12	38537319	UXFDSUZDFANKFP-UHFFFAOYSA-N	258.155	3.042	5	50	CGBA	in-vitro
Cc1ccc(-n2ncc3c([N+](=O)[O-])cc([N+](=O)[O-])cc32)cc1	3669638	WBBFSGRHMPMNDA-UHFFFAOYSA-N	298.258	3.150	5	50	CGBA	
Cc1ccc(C(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-]	101987	CQCAYCUZOMDQSN-UHFFFAOYSA-N	296.326	3.496	5	50	CGBA	
O=[N+]([O-])c1cc(F)ccc1OCCC(F)(F)F	169725311	JYQOXBJUAGKDGK-UHFFFAOYSA-N	253.151	3.065	5	50	CGBA	
CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	3156695	CINNPJKMBVNUMO-UHFFFAOYSA-N	272.260	3.346	5	50	CGBA	
Cc1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	102954	MTBHTQDKPBFTCG-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
O=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2751874	HMQBFCQJSICGJX-UHFFFAOYSA-N	288.215	3.108	5	50	CGBA	
O=C1CC=C(c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1	115285056	IOTUSUVEITWNRV-UHFFFAOYSA-N	256.261	3.213	5	50	CGBA	
CC(C)=CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	145664	MYARLIGRFLDRPX-UHFFFAOYSA-N	277.305	3.109	5	50	CGBA	
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1CC1	436820	DTXFAZTUNCWLCZ-UHFFFAOYSA-N	289.316	3.067	5	50	CGBA	
O=C(OCc1cccc([N+](=O)[O-])c1)c1cccs1	466934	HTWIPACWTLJLTB-UHFFFAOYSA-N	263.274	3.013	5	50	CGBA	
Cc1c(C(=O)NC(C(C)C)C(C)C)cccc1[N+](=O)[O-]	452350	CTIYXCBEMKTLEX-UHFFFAOYSA-N	278.352	3.314	5	50	CGBA	
COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	456036	DVIBNPTXYNQBGH-UHFFFAOYSA-N	291.690	3.488	5	50	CGBA	
Cc1[nH]nc(Nc2ccc(C(C)C)cc2)c1[N+](=O)[O-]	9013658	VUBZWPIJXSBBHR-UHFFFAOYSA-N	260.297	3.493	5	50	CGBA	
CC(C)Cn1c(=O)c2ccccc2c2ccccc2c1=O	470263	OKDQSIDHIDNLLZ-UHFFFAOYSA-N	279.339	3.171	5	50	CGBA	
CCNc1cc(OCC)c(Br)cc1[N+](=O)[O-]	65336888	GVTPMIRSLYSXIV-UHFFFAOYSA-N	289.129	3.188	5	50	CGBA	in-vitro
C[C@@H](C(=O)NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1	471338	RNQDJGLQALWBSA-CYBMUJFWSA-N	298.342	3.057	5	50	CGBA	
CCOc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1	9816352	MAPIIFQUVPUKHI-UHFFFAOYSA-N	286.287	3.246	5	50	CGBA	
Cc1cc([N+](=O)[O-])nn1Cc1c(Cl)cccc1Cl	2388612	ZCKROLPWLOOPLD-UHFFFAOYSA-N	286.118	3.455	5	50	CGBA	
O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1C(Cl)(Cl)Cl	6668628	YXYSGEIJKFSRPM-VIFPVBQESA-N	294.521	3.435	5	50	CGBA	
Cc1cccc(C(=O)Nc2ccc(F)cc2F)c1[N+](=O)[O-]	463560	ISYUDSKQJHUZJG-UHFFFAOYSA-N	292.241	3.434	5	50	CGBA	
O=[N+]([O-])c1ccc(SCCc2ccncc2)cc1	231799	KRYDNUGQCOQTPL-UHFFFAOYSA-N	260.318	3.325	5	50	CGBA	
C[C@@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-]	4989156	WDUFHALGCCZXFY-YSKGHYERSA-N	260.337	3.482	5	50	CGBA	
O=[N+]([O-])c1ccc(SCCc2ccccn2)cc1	327883	RILMBHWFNQLEJB-UHFFFAOYSA-N	260.318	3.325	5	50	CGBA	
CCC[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C	372635	FJQAEIWKLICZKC-JTQLQIEISA-N	250.298	3.278	5	50	CGBA	
CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1	2171363	UNJLMWWAZIDQFL-UHFFFAOYSA-N	277.324	3.391	5	50	CGBA	
C[C@]1([N+](=O)[O-])c2ccccc2-c2ccc([N+](=O)[O-])cc21	3132303	XLUGBGFQBCHCLL-AWEZNQCLSA-N	270.244	3.115	5	50	CGBA	
O=[N+]([O-])c1cccc(Oc2nc(C(F)(F)F)ns2)c1	347057180	SQVOLLUWCOAJHN-UHFFFAOYSA-N	291.210	3.257	5	50	CGBA	
O=[N+]([O-])c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	3877375	RJFWSYMASYLDLB-UHFFFAOYSA-N	273.248	3.115	5	50	CGBA	
O=[N+]([O-])/C=C/c1ccc(-c2ccc(F)cc2F)o1	4841494	PESZWHSAOSYQMP-AATRIKPKSA-N	251.188	3.472	5	50	CGBA	
O=C(NC1CCCCCC1)c1ccc([N+](=O)[O-])cc1	67890	OHLHOHSSAOSGEM-UHFFFAOYSA-N	262.309	3.047	5	50	CGBA	
COc1ccc(C(=O)NC2CCCCCC2)cc1[N+](=O)[O-]	284739	XYWLKTIYLVEOCV-UHFFFAOYSA-N	292.335	3.056	5	50	CGBA	
CC(=O)O[C@@H]1c2ccccc2-c2cc([N+](=O)[O-])ccc21	1716260	WZQYOADNXLOMIA-OAHLLOKOSA-N	269.256	3.228	5	50	CGBA	
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1	60248	CCPMJLIQXHEYNU-ZHACJKMWSA-N	268.272	3.247	5	50	CGBA	
C[C@H](C(=O)Nc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1	471312	FNNGRFUHUKRBOP-JTQLQIEISA-N	288.278	3.476	5	50	CGBA	
COc1ccccc1OCCOc1ccccc1[N+](=O)[O-]	2983905	LQAPMVYRQKGVEK-UHFFFAOYSA-N	289.287	3.061	5	50	CGBA	
O=C(O)C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1	97756619	GHWOVLOGJKKXIL-CYBMUJFWSA-N	286.287	3.223	5	50	CGBA	
O=C(/C=C/c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-]	4542913	IIXBJAAZYJHMCS-CMDGGOBGSA-N	286.262	3.386	5	50	CGBA	
CCCCN(CC)C(=O)c1ccc([N+](=O)[O-])c(C)c1	2990853	BVUGZUXBALSSRC-UHFFFAOYSA-N	264.325	3.165	5	50	CGBA	
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])Oc1cccnc1	4773264	VUMIHTLDWVFUHH-UHFFFAOYSA-N	293.666	3.254	5	50	CGBA	
CC[N@@+](C)(CC[N+](C)(C)C)Cc1cc2ccccc2o1	239402804	REFUJEKPQBBTHZ-IBGZPJMESA-N	276.424	3.106	5	50	CGBA	
O=C(O)c1ccc(-c2cccc([N+](=O)[O-])c2)c(F)c1	43578263	ZDRINKVDKXDKGM-UHFFFAOYSA-N	261.208	3.099	5	50	CGBA	in-vitro
O=[N+]([O-])c1cnc(Nc2ccc3ccccc3c2)nc1	5022605	NZGSVFOSDLOGMC-UHFFFAOYSA-N	266.260	3.282	5	50	CGBA	
O=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3F)o2)c1	276074	OYJYSNFKFRLKCL-UHFFFAOYSA-N	285.234	3.451	5	50	CGBA	
O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccncc1	4831944	YFFQFKZVKITUMP-UHFFFAOYSA-N	292.678	3.000	5	50	CGBA	
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1F	436950	MAVFYCZCIAYAKM-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
Cc1cc([N+](=O)[O-])cc(OC(F)F)c1Br	263624168	OAVPJHQFTCXHFA-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
Cc1cc(C(=O)N[C@@H](C)Cc2ccccc2)ccc1[N+](=O)[O-]	669368690	CUKDAOYQUYRFNT-ZDUSSCGKSA-N	298.342	3.264	5	50	CGBA	
O=[N+]([O-])c1ccc(N2CCCC2)cc1NCc1cccnc1	4331628	GNXMBMFAHBQCBX-UHFFFAOYSA-N	298.346	3.202	5	50	CGBA	
Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-]	240635	BQJMBPICOUAQIW-GFCCVEGCSA-N	284.315	3.394	5	50	CGBA	
CC(C)N(C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C	2165947	NVARJHWMGNNJQM-UHFFFAOYSA-N	265.313	3.246	5	50	CGBA	
O=[N+]([O-])c1cccc2c(N3CCCCC3)ccnc12	4703669	GGGFGABKBYDMKB-UHFFFAOYSA-N	257.293	3.133	5	50	CGBA	
O=[N+]([O-])c1c(Br)cc(F)cc1OC(F)F	263625004	VZHXCFHVRDMTJZ-UHFFFAOYSA-N	286.003	3.098	5	50	CGBA	
Nc1c(-c2ccccc2)cnn1-c1ccc([N+](=O)[O-])cc1	5078277	HORVVJSXGLDXDT-UHFFFAOYSA-N	280.287	3.030	5	50	CGBA	
O=[N+]([O-])c1ccc(C2=NN[C@H](c3ccc(F)cc3)C2)cc1	446305	PRKXTZZCVZYYQE-AWEZNQCLSA-N	285.278	3.173	5	50	CGBA	
O=[N+]([O-])c1ccc(O)cc1CN1CCCCCCC1	213503	NDCCNIDIXGNHQO-UHFFFAOYSA-N	264.325	3.067	5	50	CGBA	
CC(C)CNc1cc(N2CCCC2)ccc1[N+](=O)[O-]	4739196	IQMXXHNWOFKQHM-UHFFFAOYSA-N	263.341	3.263	5	50	CGBA	
O=C(O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	246306	RMCHRSGYGNEWJY-UHFFFAOYSA-N	259.217	3.085	5	50	CGBA	
CC(C)CN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O	4823672	JQBXQTMUSDBUKI-UHFFFAOYSA-N	298.298	3.000	5	50	CGBA	
O=c1oc2cc(O)ccc2cc1-c1ccc([N+](=O)[O-])cc1	4850786	ZIEKCHGRRCVQQL-UHFFFAOYSA-N	283.239	3.074	5	50	CGBA	
O=[N+]([O-])c1ccc(N2CCCC2)c(F)c1Br	5073461	ODLITIUMOYSJHC-UHFFFAOYSA-N	289.104	3.097	5	50	CGBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2cc[nH]c2n1	1875389060	AGZIVIWGZDLPSW-UHFFFAOYSA-N	297.274	3.115	5	50	CGBA	
Cn1c2ccccc2n2cc(-c3ccc([N+](=O)[O-])cc3)nc12	275080	IBVRCTVMEOHDDP-UHFFFAOYSA-N	292.298	3.401	5	50	CGBA	
O=C(Nc1cccc(O)c1)c1ccc(Cl)c([N+](=O)[O-])c1	436583	VPAQNRRSTOJURQ-UHFFFAOYSA-N	292.678	3.206	5	50	CGBA	
O=[N+]([O-])c1cccc(C2=NOc3cc(Cl)ccc3N2)c1	1511563	STKAAESXVDWBCA-UHFFFAOYSA-N	289.678	3.414	5	50	CGBA	
CC(C)(C)NCCCCOc1ccc([N+](=O)[O-])cc1	2902710	YWZQQGXDZUMROW-UHFFFAOYSA-N	266.341	3.142	5	50	CGBA	
COc1ccccc1CNc1ccc([N+](=O)[O-])cc1	4774765	HFUVQUHMMAGOBU-UHFFFAOYSA-N	258.277	3.216	5	50	CGBA	
c1ccc(-c2cnc3nc4[nH]c5ccccc5c4nn23)cc1	17723118	FKLSLJWNNIQHEH-UHFFFAOYSA-N	285.310	3.426	5	50	CGBA	
CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1	237122121	RQSRQOTYWVQUDW-UHFFFAOYSA-N	262.334	3.433	5	50	CGBA	
Sc1nc2ccccc2c2nc3ccccc3n12	2168806	VHPHESYILJQPFV-UHFFFAOYSA-N	251.314	3.324	5	50	CGBA	
CCOc1cc(C[N+](=O)[O-])ccc1OCc1ccccc1	3051900	ATIHFEWRUGGMOR-UHFFFAOYSA-N	287.315	3.441	5	50	CGBA	
Cc1cc(C(=N)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-]	6280646	SSSHPYBJKXLWKZ-UHFFFAOYSA-N	285.259	3.228	5	50	CGBA	
CSC[C@H]1C[C@@H](Nc2c([N+](=O)[O-])ccc3n[nH]cc23)C1	2325789753	KWIZFTXJOMLHMX-DTORHVGOSA-N	292.364	3.025	5	50	CGBA	
CCN1CCCc2cc(Br)cc([N+](=O)[O-])c21	170626085	UTEHJYLRBYJIKD-UHFFFAOYSA-N	285.141	3.130	5	50	CGBA	
O=[N+]([O-])c1ccc(OC(F)F)cc1OC(F)(F)F	263625309	YPPVWMRMEBCIOX-UHFFFAOYSA-N	273.113	3.095	5	50	CGBA	
O=[N+]([O-])c1ccsc1NCCCc1cccnc1	1615586674	WZHNKOQPQUABDH-UHFFFAOYSA-N	263.322	3.096	5	50	CGBA	
Nc1cc(Oc2cncc(Cl)c2)cc([N+](=O)[O-])c1	322703	XYIYKXHYLNXYDB-UHFFFAOYSA-N	265.656	3.018	5	50	CGBA	
O=[N+]([O-])c1ccccc1Nc1ncnc2ccccc12	4838449	JUTKPCQZYLEVNQ-UHFFFAOYSA-N	266.260	3.282	5	50	CGBA	
O=[N+]([O-])c1ccc(Oc2ncnc3c2CCC3)cc1Cl	728201767	VSYBAXMTJIUQDN-UHFFFAOYSA-N	291.694	3.319	5	50	CGBA	
C[C@H]1C[C@H](C)CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1	473755	HMBWCLZWWZMIHT-BVAIOKDQSA-N	288.347	3.113	5	50	CGBA	
Cc1ccc(C(=O)Nc2nc(C)c(C)s2)cc1[N+](=O)[O-]	442253	SJJXRTDNHLBPRD-UHFFFAOYSA-N	291.332	3.229	5	50	CGBA	
Cc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	4949549	AJFQDFZJTLTMRT-UHFFFAOYSA-N	284.315	3.393	5	50	CGBA	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccs1	587101	NTHXXSCFTIRESZ-UHFFFAOYSA-N	263.274	3.013	5	50	CGBA	
CCC[C@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	442528	IDBHBTVHFSBSBP-QMMMGPOBSA-N	270.716	3.167	5	50	CGBA	
COc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	272278	UXRUYQIVISCXJE-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
Cc1c(Br)c(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-]	1646571	XUOMMFKVKLQOFP-UHFFFAOYSA-N	289.085	3.191	5	50	CGBA	
O=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	732183	CUVWNYMQNJNFGB-UHFFFAOYSA-N	293.282	3.260	5	50	CGBA	biogenic
Cc1cc(Br)c(Br)cc1[N+](=O)[O-]	82046747	OJFOMLFOBYEZNH-UHFFFAOYSA-N	294.930	3.428	5	50	CGBA	
CCOc1ccc(Br)c([N+](=O)[O-])c1Cl	261493597	FMBACCQQBMVDIW-UHFFFAOYSA-N	280.505	3.409	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(F)cc3)o2)cc1	276069	VSIWRJOTNNFCOZ-UHFFFAOYSA-N	285.234	3.451	5	50	CGBA	
CC1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	45885837	JYHRMYJRUZXSEW-UHFFFAOYSA-N	254.717	3.485	5	50	CGBA	
C[C@@H]1CC[C@@H](/C=C/Nc2cccc([N+](=O)[O-])c2)C1=O	1776111266	KFFHBUCWFMCQMS-SFEFJYQLSA-N	260.293	3.136	5	50	CGBA	
Cc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1	4173281	OKKPIGVGNNUGPT-UHFFFAOYSA-N	274.276	3.068	5	50	CGBA	
CCN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1	204458996	HFHRUVBSDNFGQQ-UHFFFAOYSA-N	266.297	3.356	5	50	CGBA	
O=[N+]([O-])c1ccccc1CNCCc1cccc(F)c1	19720934	RHSGGAHKCSKFDT-UHFFFAOYSA-N	274.295	3.066	5	50	CGBA	
Cc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1C	3879031	DLQVVKUATSKGHJ-UHFFFAOYSA-N	284.275	3.491	5	50	CGBA	
CC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cn1)c1ccccc1	4881574	BRBZBJLUCSYTKK-CYBMUJFWSA-N	285.303	3.122	5	50	CGBA	
CCOc1ccccc1CNc1ccc([N+](=O)[O-])cn1	20052242	RGAKUWBJVHFXJV-UHFFFAOYSA-N	273.292	3.001	5	50	CGBA	
O=[N+]([O-])c1ccc(CNCCc2c[nH]c3ccccc23)cc1	19721037	IDNLCTISTSJTCZ-UHFFFAOYSA-N	295.342	3.408	5	50	CGBA	
Cc1ccn2cc(-c3ccc([N+](=O)[O-])cc3)nc2c1	281358	MDMYCEXCKRTIHB-UHFFFAOYSA-N	253.261	3.218	5	50	CGBA	
CC[C@H]1CCCCN1Cc1cc(OC)c(O)c([N+](=O)[O-])c1	4987880	ONYCEDLEPFGXNN-LBPRGKRZSA-N	294.351	3.074	5	50	CGBA	
O=C(N[C@@H]1CC=CCC1)c1c(Cl)cccc1[N+](=O)[O-]	172495785	VYHZZAQGVVXMSI-SECBINFHSA-N	280.711	3.087	5	50	CGBA	
O=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	35782	DIZCCNXYIFDHAX-UHFFFAOYSA-N	251.625	3.321	5	50	CGBA	
Cc1cc(C)n(-c2cc(Cl)ccc2[N+](=O)[O-])n1	258652	VGFOBZCITTUJFF-UHFFFAOYSA-N	251.673	3.051	5	50	CGBA	
O=[N+]([O-])c1cccc2ccc(Nc3ccccn3)nc12	5590473	UCGBJQLLSKWJLB-UHFFFAOYSA-N	266.260	3.282	5	50	CGBA	
O=[N+]([O-])c1scc(Br)c1Br	967494	SFQCSMOCYWODDI-UHFFFAOYSA-N	286.932	3.181	5	50	CGBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CCC[C@@H]2C1	162927530	KMCIVXQBDDXXQD-VXGBXAGGSA-N	289.335	3.167	5	50	CGBA	
O=[N+]([O-])c1cccc(CCNc2ncnc3ccccc23)c1	170590969	VIZLIPFNMWXUPQ-UHFFFAOYSA-N	294.314	3.193	5	50	CGBA	
Cc1nonc1-c1csc(-c2ccccc2[N+](=O)[O-])n1	1875358465	XBTOIDMFWYQSHO-UHFFFAOYSA-N	288.288	3.077	5	50	CGBA	
Cc1ccc(OCCN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1	4906722	CJTKZIKEOLMTQQ-CYBMUJFWSA-N	278.352	3.014	5	50	CGBA	
Cc1ccc(-c2cnn(-c3cccc([N+](=O)[O-])c3)c2N)cc1	2508446	ZJRPZJNFUUXQMR-UHFFFAOYSA-N	294.314	3.338	5	50	CGBA	
Cc1cc([N+](=O)[O-])cc(Br)c1Cl	36532862	ALRMZVIRRGMVRF-UHFFFAOYSA-N	250.479	3.319	5	50	CGBA	
Nc1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2	34451	FWJXRPQKMVIYNT-UHFFFAOYSA-N	254.245	3.453	5	50	CGBA	biogenic
Cc1ccc(NC(=O)OC2CCCC2)c([N+](=O)[O-])c1	4799897	ROHWNPCBNLMKAD-UHFFFAOYSA-N	264.281	3.394	5	50	CGBA	
O=[N+]([O-])c1ccn(Cc2ccc(Cl)c(Cl)c2)n1	4291276	IYWRZKLNKGRWRB-UHFFFAOYSA-N	272.091	3.146	5	50	CGBA	
Nc1ccc([N+](=O)[O-])c(NCc2ccc3c(n2)CCCC3)c1	282293932	QUDFHTVKBAWPLE-UHFFFAOYSA-N	298.346	3.063	5	50	CGBA	
O=[N+]([O-])c1ccc(Br)c(C(F)(F)F)c1O	94986221	KGXNHGYCQFAOTL-UHFFFAOYSA-N	286.003	3.082	5	50	CGBA	in-vitro
COc1ccc(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1	3998801	XZJRNDCDKMAJLF-UHFFFAOYSA-N	288.259	3.045	5	50	CGBA	biogenic,in-vitro
CC[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1C	231408	XDPDMMLKYXDWFN-LBPRGKRZSA-N	276.336	3.308	5	50	CGBA	
O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccco1	4833321	FJASUVWTKUYGHD-UHFFFAOYSA-N	281.651	3.198	5	50	CGBA	
C[C@@H]1CC(C)(C)C[C@](Br)([N+](=O)[O-])C1	958528866	XEKBCHSLQYFJLS-VXNVDRBHSA-N	250.136	3.201	5	50	CGBA	
COc1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4786601	MSTPRMHOPCALQB-UHFFFAOYSA-N	289.247	3.255	5	50	CGBA	in-vitro
Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)o1	461729	SGWCWDUGKXERSJ-UHFFFAOYSA-N	260.249	3.057	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)c(C)o1	472400	NUYDYVFDTSOKBT-UHFFFAOYSA-N	290.275	3.066	5	50	CGBA	
Cc1cnc(OC[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1	359612918	IGYRUSRWQOXQAS-SDDRHHMPSA-N	262.309	3.113	5	50	CGBA	
COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1	465695	PLKFGSCBMXDPIL-UHFFFAOYSA-N	297.270	3.320	5	50	CGBA	
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccc(F)cc1C2	4759492	OUBNNQNTRIFOIY-UHFFFAOYSA-N	286.262	3.264	5	50	CGBA	
CCCCc1ccc(Nc2ncnc(N)c2[N+](=O)[O-])cc1	3912730	FKUCTJFVIBBUOZ-UHFFFAOYSA-N	287.323	3.053	5	50	CGBA	
CC(C)(C)OC(=O)n1cc(C=O)c2cccc([N+](=O)[O-])c21	2563723	SWKYBDSQTIHFOL-UHFFFAOYSA-N	290.275	3.145	5	50	CGBA	in-vitro
Cc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-]	272520	WHYBMUHSHMSFGC-VXGBXAGGSA-N	276.336	3.306	5	50	CGBA	
O=C(Nc1ccc([N+](=O)[O-])cn1)Oc1ccc(Cl)cc1	263623435	HKSJKKPOLMMSDE-UHFFFAOYSA-N	293.666	3.254	5	50	CGBA	
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	43858	OTZYXPKYOAAGEU-LLVKDONJSA-N	270.288	3.086	5	50	CGBA	
Cc1cc(C)cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1	437411	PGDXNOFSVINZQJ-UHFFFAOYSA-N	284.315	3.393	5	50	CGBA	
Cc1n[nH]c(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-]	3832503	CUAITMJIRQKZIH-UHFFFAOYSA-N	286.213	3.389	5	50	CGBA	
Cc1ccc(NC(=O)N2CCC(C)CC2)cc1[N+](=O)[O-]	2172220	UVTYFWCNYFBKFJ-UHFFFAOYSA-N	277.324	3.167	5	50	CGBA	
CCc1c(Cl)c([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	16161130	GWGJAJVTLIMTEZ-UHFFFAOYSA-N	265.052	3.372	5	50	CGBA	
Cc1ccc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1	103290	ZCFJRZKXKWLSNG-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
O=[N+]([O-])c1ccc(-n2nc3ccc4ccccc4c3n2)cc1	274693	PVWAMIIBQZNVOS-UHFFFAOYSA-N	290.282	3.482	5	50	CGBA	
Cc1ccc(NC(=O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1	4872814	JTPBXPAKSODQFE-UHFFFAOYSA-N	288.278	3.224	5	50	CGBA	
O=[N+]([O-])c1ccc(NC(=S)N2CCc3ccccc32)cc1	7098128	NBVNOPJERHMNTM-UHFFFAOYSA-N	299.355	3.354	5	50	CGBA	
O=[N+]([O-])c1cccc(CNCCc2c[nH]c3ccccc23)c1	19720797	DSHZTXMNGIJIKU-UHFFFAOYSA-N	295.342	3.408	5	50	CGBA	
O=[N+]([O-])c1cc(OC(F)F)cc(F)c1Br	263624828	UNRUHPKTIGPUIX-UHFFFAOYSA-N	286.003	3.098	5	50	CGBA	
O=[N+]([O-])c1ccc(CSc2nc3ncccc3[nH]2)cc1	92631	QQDBYWFZVIDSNJ-UHFFFAOYSA-N	286.316	3.158	5	50	CGBA	
Cc1cccc(Nc2ccc([N+](=O)[O-])c3nonc23)c1C	4116753	JPRUQJWHRKVCRP-UHFFFAOYSA-N	284.275	3.491	5	50	CGBA	
COc1cc(CN2CCCCCCC2)cc([N+](=O)[O-])c1O	4978632	KWWILLJKNAEEQW-UHFFFAOYSA-N	294.351	3.075	5	50	CGBA	
Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1C(F)(F)F	95829827	INFTUELYTTXWBW-UHFFFAOYSA-N	274.120	3.215	5	50	CGBA	
COc1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1[N+](=O)[O-]	12406942	PZNYTOIGWDZUJP-PHIMTYICSA-N	292.335	3.007	5	50	CGBA	
O=[N+]([O-])c1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1	19798218	GTZHXBQPFWAUOT-INIZCTEOSA-N	293.326	3.311	5	50	CGBA	biogenic
Cc1cc(C)nc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	6280365	SLXQLVPIXWVBEB-UHFFFAOYSA-N	285.303	3.167	5	50	CGBA	
CCOP(=O)(Cc1ccc([N+](=O)[O-])cc1)OCC	1631194	FORMFFDDQMCTCT-UHFFFAOYSA-N	273.225	3.361	5	50	CGBA	in-vitro
O=[N+]([O-])c1ccc(-c2noc(CCc3ccccc3)n2)cc1	442879	REFYGOONSFKSAX-UHFFFAOYSA-N	295.298	3.430	5	50	CGBA	
O=[N+]([O-])c1ccc(N2N=N[C@@H]3[C@H]4C[C@@H]([C@@H]5C=CC[C@@H]54)[C@@H]32)cc1	257371816	GRPWWKAQJXYSNI-OHQCYIMMSA-N	296.330	3.361	5	50	CGBA	
Cc1nc([N+](=O)[O-])cn1Cc1cccc2ccccc12	225649	HZWAJIJPBGYCEE-UHFFFAOYSA-N	267.288	3.301	5	50	CGBA	
CN(C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1	261493740	IHVJGLGEGBBVQR-UHFFFAOYSA-N	286.287	3.368	5	50	CGBA	
O=C(Nc1ccc([N+](=O)[O-])cc1F)OCc1ccccc1	261494533	ZVBUWAOSILOPNT-UHFFFAOYSA-N	290.250	3.483	5	50	CGBA	
O=[N+]([O-])[C@]1(Br)CCC[C@H](C(F)(F)F)C1	958528114	JUZVZGCZILIHFA-NTSWFWBYSA-N	276.052	3.107	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3O)o2)cc1	5188528	SQYDLQWSDHXLIG-UHFFFAOYSA-N	283.243	3.017	5	50	CGBA	
C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1COc2ccccc21	192510482	FIVMJVMRTJETKU-SCZZXKLOSA-N	291.332	3.028	5	50	CGBA	
C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccon1	353267211	PFAFHJCJNVBPHH-ZCFIWIBFSA-N	269.207	3.034	5	50	CGBA	
CCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1	4689086	XVIMLZFRRHSBHJ-UHFFFAOYSA-N	286.287	3.246	5	50	CGBA	
O=[N+]([O-])c1cc(Br)cc(F)c1OC(F)F	263623429	HKJWNJYKKDKUDW-UHFFFAOYSA-N	286.003	3.098	5	50	CGBA	
Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccc(Cl)cc1	5073658	ZNODUMZMWLTGML-UHFFFAOYSA-N	276.679	3.061	5	50	CGBA	
O=[N+]([O-])c1ccc2[nH]c(/C=C/c3ccco3)nc2c1	4541104	LPHIZIKKEMHSNT-GQCTYLIASA-N	255.233	3.235	5	50	CGBA	
CC(C)COc1ncc(C(F)(F)F)cc1[N+](=O)[O-]	261493527	CUVAGQJCYCDSSJ-UHFFFAOYSA-N	264.203	3.043	5	50	CGBA	
C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	438099	VJDGIYDEJYVACD-SRXBQZRASA-N	296.326	3.485	5	50	CGBA	
COc1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1	450860	UYKHOAMRBAMZHK-UHFFFAOYSA-N	281.271	3.214	5	50	CGBA	
COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)ccc1F	85210157	XMGYKEZNKUHDRC-UHFFFAOYSA-N	275.235	3.188	5	50	CGBA	in-vitro
CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1	293127	ICDCIUPEPWYOPN-UHFFFAOYSA-N	270.288	3.410	5	50	CGBA	
CN(C)c1ccc2c(c1[N+](=O)[O-])Cc1ccccc1-2	4558945	MKVQWWABNGLLSW-UHFFFAOYSA-N	254.289	3.232	5	50	CGBA	
C[n+]1ccc2ccccc2c1Cc1ccc([N+](=O)[O-])cc1	4947534	VMLNTWLFGOTXIH-UHFFFAOYSA-N	279.319	3.163	5	50	CGBA	
O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	100315258	MIVNAJMLVLKIJI-UHFFFAOYSA-N	269.256	3.051	5	50	CGBA	
Cc1cc(F)ccc1C(=O)Nc1cccc([N+](=O)[O-])c1	1057854	MRKZMYFFSSPOGV-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1	78513	KVWCSKAFDFBAEH-UHFFFAOYSA-N	297.270	3.320	5	50	CGBA	
O=C(NC1CC1)c1sc2cc([N+](=O)[O-])ccc2c1Cl	355106	OIUDYFKPVUVMDF-UHFFFAOYSA-N	296.735	3.355	5	50	CGBA	
CCCCCCOC(=O)c1cccc([N+](=O)[O-])c1C(=O)O	2170902	FWUSXYVWULBBBO-UHFFFAOYSA-N	295.291	3.030	5	50	CGBA	
O=C(Nc1nccs1)Nc1cc([N+](=O)[O-])ccc1Cl	2172815	XATSLBJZGRCJQP-UHFFFAOYSA-N	298.711	3.349	5	50	CGBA	
Cc1cc(Br)cc([N+](=O)[O-])c1OC(F)F	263624016	MQIAAHIGJICMME-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1	102192	LJVWVOJPPPDGSV-NXEZZACHSA-N	296.754	3.366	5	50	CGBA	
C[C@@H](c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)no1	472296	IVFAFOIDLVDMEU-JTQLQIEISA-N	296.286	3.192	5	50	CGBA	
O=[N+]([O-])c1cc(F)c(OC(F)F)c(Br)c1	263624162	NZVRUDSEEUVVFA-UHFFFAOYSA-N	286.003	3.098	5	50	CGBA	
O=[N+]([O-])c1ccc(CNc2ccc(F)c(F)c2)cc1	280565	ILATUQQOTAEEQI-UHFFFAOYSA-N	264.231	3.485	5	50	CGBA	
O=[N+]([O-])c1cccc(CNCCc2cccc(F)c2)c1	19720704	QEKXIGHAQOGNNF-UHFFFAOYSA-N	274.295	3.066	5	50	CGBA	
O=[N+]([O-])c1ccc(Br)cc1C(F)(F)F	56814	ZHLYHEDQTJZYFI-UHFFFAOYSA-N	270.004	3.376	5	50	CGBA	in-vitro
O=[N+]([O-])c1ccc(-c2cnc3ccccc3n2)cc1	233133	KINUCWHRJPFQQY-UHFFFAOYSA-N	251.245	3.205	5	50	CGBA	
Cc1nn(C(=O)OC(C)(C)C)c2ccc([N+](=O)[O-])cc12	89195682	KNSRZMXJWFBSQA-UHFFFAOYSA-N	277.280	3.036	5	50	CGBA	
Cc1ncn(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C	178673819	ZMJJRKHIBQHPRR-UHFFFAOYSA-N	299.252	3.475	5	50	CGBA	
Nc1cc2c(cc1Cl)-c1ccc([N+](=O)[O-])cc1C2=O	1696174	YTPYWVHFGOCYEL-UHFFFAOYSA-N	274.663	3.042	5	50	CGBA	
Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1[N+](=O)[O-]	101995	QWNRYKYWFZJURX-UHFFFAOYSA-N	292.241	3.434	5	50	CGBA	
COc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1	295775	RWBWXSPPILRSDY-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
CC(=O)Nc1cc([N+](=O)[O-])ccc1NC1CCCCC1	584904521	LGYLLONCJPEVCU-UHFFFAOYSA-N	277.324	3.298	5	50	CGBA	
Cn1c2ccc(F)cc2c2nc3ccccc3nc21	530930	LGWYSDDBRZPJIX-UHFFFAOYSA-N	251.264	3.414	5	50	CGBA	
O=C(O)c1cccc(NSc2ccccc2[N+](=O)[O-])c1	47698	XFPVVSSBMPCQTC-UHFFFAOYSA-N	290.300	3.412	5	50	CGBA	
C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	473301	KFNJAKRWFDECKM-VIFPVBQESA-N	282.727	3.263	5	50	CGBA	
Cc1ccc(NC(=O)OCc2ccco2)cc1[N+](=O)[O-]	2173806	AABGJXMHALNPBD-UHFFFAOYSA-N	276.248	3.245	5	50	CGBA	
Cc1sc2ncn3c(=O)c4ccccc4nc3c2c1C	60414	RWYFFIMXTIHQKJ-UHFFFAOYSA-N	281.340	3.074	5	50	CGBA	
CC[N+](C)(CC)C[C@H](O)COc1ccc2ccccc2c1	285870	NFHSQGOUDHZZTR-KRWDZBQOSA-N	288.411	3.066	5	50	CGBA	
COC(=O)c1cccc(-c2cccc([N+](=O)[O-])c2)c1	22201647	DCWSOKNZNVBULZ-UHFFFAOYSA-N	257.245	3.048	5	50	CGBA	in-vitro
O=[N+]([O-])c1ccc2nc(C(F)(F)F)nc(Cl)c2c1	165725768	OGEXCCWKEFZZMB-UHFFFAOYSA-N	277.589	3.210	5	50	CGBA	
O=[N+]([O-])c1ccc(Sc2ccccc2O)c([N+](=O)[O-])c1	2066517	MIDCRWKQEQRTHA-UHFFFAOYSA-N	292.272	3.360	5	50	CGBA	
O=C(C[C@@H]1OC(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1	99207	HZCOAGLFMSQFSO-HNNXBMFYSA-N	297.266	3.079	5	50	CGBA	
O=[N+]([O-])c1cccc(Nc2ncnc3ccccc23)c1	118586	XJOHOCFXDMKHIX-UHFFFAOYSA-N	266.260	3.282	5	50	CGBA	
COc1cc(NC(C)C)c([N+](=O)[O-])cc1Br	74937720	QRYSUFDDFZNLLO-UHFFFAOYSA-N	289.129	3.186	5	50	CGBA	in-vitro
O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2ccccc2)C1	4761551	IAICSBIOISXTJK-OAHLLOKOSA-N	296.326	3.225	5	50	CGBA	
CCN(CC)c1ccc([N+](=O)[O-])cc1Br	38537513	PCXIHLGUPLRWQI-UHFFFAOYSA-N	273.130	3.204	5	50	CGBA	
O=[N+]([O-])c1cc(Br)ccc1C(F)(F)F	21304456	WPDWGHAFCXNYDI-UHFFFAOYSA-N	270.004	3.376	5	50	CGBA	in-vitro
O=[N+]([O-])c1cccnc1Sc1ccc(F)cc1	334904	AWNKYOQHMZMLDY-UHFFFAOYSA-N	250.254	3.280	5	50	CGBA	
Cc1cccc(C(=O)Nc2cccc(F)c2)c1[N+](=O)[O-]	463246	RIVJOJDSWHNGSP-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
CCCN(CCC)C(=O)Nc1cccc([N+](=O)[O-])c1	2164777	VOEYCSDUPKWHRK-UHFFFAOYSA-N	265.313	3.249	5	50	CGBA	
COC(=O)c1cc(-c2ccccc2C)cc([N+](=O)[O-])c1	97757232	FVZBMPBXXUQNOP-UHFFFAOYSA-N	271.272	3.357	5	50	CGBA	
COc1ccc(COc2cccc([N+](=O)[O-])c2)cc1	3051757	DKJCBEQXXUXLBQ-UHFFFAOYSA-N	259.261	3.182	5	50	CGBA	in-vitro
COc1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	102974	LSCAUDFQVTZUCR-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1	272663	MWXUHJACDKHYRK-UHFFFAOYSA-N	284.315	3.257	5	50	CGBA	
Cc1ccc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2n1	4865956	CHRKORNFXJFWIB-UHFFFAOYSA-N	297.270	3.297	5	50	CGBA	
CC(C)N(C)C(=O)[C@@H](C)SCc1ccc([N+](=O)[O-])cc1	131369928	XAVLOBQMZDDSDV-LLVKDONJSA-N	296.392	3.083	5	50	CGBA	
COc1ccccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	1686630	QPACBGJIRNORGM-UHFFFAOYSA-N	274.232	3.179	5	50	CGBA	
Cc1ccc2c(=O)c3cccc(CC(=O)O)c3oc2c1C	3777432	XGOYIMQSIKSOBS-UHFFFAOYSA-N	282.295	3.190	5	50	CGBA	investigational
COc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	3877463	CXYDBMSOXLXDAC-UHFFFAOYSA-N	289.247	3.255	5	50	CGBA	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F	4856360	OSFAXFYCBUFQLB-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
Cc1cc(OCCN2C[C@@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-]	4913344	WYOPNAZNNNWSQM-BETUJISGSA-N	292.379	3.260	5	50	CGBA	
CNc1ccc(OCc2ccccc2)cc1[N+](=O)[O-]	390824128	JDMAROMEJZCELO-UHFFFAOYSA-N	258.277	3.216	5	50	CGBA	
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccccc1F	1738364	XFORTLYKNWQETF-UHFFFAOYSA-N	275.239	3.378	5	50	CGBA	
CC(C)CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	4902767	QISLCBRDGXBHCO-UHFFFAOYSA-N	298.298	3.000	5	50	CGBA	
O=[N+]([O-])c1cc(NCc2ccccc2)cc([N+](=O)[O-])c1	261493762	ITVPWFRQGZMPTI-UHFFFAOYSA-N	273.248	3.115	5	50	CGBA	
CNc1ccc([N+](=O)[O-])cc1-n1cnc(-c2ccccc2)c1	5044801	FJTAIJOTDFXEND-UHFFFAOYSA-N	294.314	3.489	5	50	CGBA	
CC(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C	407865	BOVAUHFCLABBSS-UHFFFAOYSA-N	268.268	3.180	5	50	CGBA	
O=C(OCc1ccccc1)c1c(F)cccc1[N+](=O)[O-]	169725167	TXLRWJUKZQXBCD-UHFFFAOYSA-N	275.235	3.091	5	50	CGBA	
COc1cc([N+](=O)[O-])c(Cl)cc1Br	261494514	ZNEQRXSAUSSJRA-UHFFFAOYSA-N	266.478	3.019	5	50	CGBA	
CCCNc1cc(F)c(Br)cc1[N+](=O)[O-]	65336884	OQKJMCBZXPDHHY-UHFFFAOYSA-N	277.093	3.318	5	50	CGBA	in-vitro
O=[N+]([O-])c1cccc([C@H]2NCCc3c2[nH]c2ccccc32)c1	19301130	URZDISYKQVHHJG-MRXNPFEDSA-N	293.326	3.311	5	50	CGBA	
Cc1cc(OC(F)F)cc([N+](=O)[O-])c1Br	263624022	MRICLCHWOHGTIN-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
O=[N+]([O-])c1ccc(C2=NN[C@@H](c3ccc(F)cc3)C2)cc1	446304	PRKXTZZCVZYYQE-CQSZACIVSA-N	285.278	3.173	5	50	CGBA	
CC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cn1)c1ccccc1	4881572	BRBZBJLUCSYTKK-ZDUSSCGKSA-N	285.303	3.122	5	50	CGBA	
CN1C2=CCC[C@@H](CC[N+](C)(C)C)[C@H]1CCCC2	216341616	OMBLMIDOBXNZNL-GOEBONIOSA-N	251.438	3.251	5	50	CGBA	
O=[N+]([O-])c1c(Cl)ccc(Br)c1F	97447152	UTFRFVXKHJBCTB-UHFFFAOYSA-N	254.442	3.150	5	50	CGBA	
O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl	456752	PGIPTXFXNUVZFZ-UHFFFAOYSA-N	261.664	3.479	5	50	CGBA	
O=C(Cc1ccccc1[N+](=O)[O-])NCCC1=CCCCC1	461213	VKQOVZOHSHXEJM-UHFFFAOYSA-N	288.347	3.144	5	50	CGBA	
COC(=O)c1cc(-c2ccc(C)cc2)cc([N+](=O)[O-])c1	97757325	YWUWJWNTRLJCSZ-UHFFFAOYSA-N	271.272	3.357	5	50	CGBA	
Cc1c(C(=O)Nc2ccc(F)cc2F)cccc1[N+](=O)[O-]	259012	VUYHMLUKRMWVSL-UHFFFAOYSA-N	292.241	3.434	5	50	CGBA	
Cc1cc(C(=O)OCc2ccccc2F)ccc1[N+](=O)[O-]	1074965	SVWGFUMFIWMCDF-UHFFFAOYSA-N	289.262	3.399	5	50	CGBA	
Cc1ccc(NC(=O)c2ccccc2C)c([N+](=O)[O-])c1	4010527	RSIXSUOBPIOODZ-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
Cc1cc(N2CCCC[C@H]2C)c(F)cc1[N+](=O)[O-]	3904576	PLDIRUHRROZNLC-SNVBAGLBSA-N	252.289	3.421	5	50	CGBA	
O=C(NCCC1=CCCCC1)c1ccc([N+](=O)[O-])cc1	38847	AZDRWROIXARTCX-UHFFFAOYSA-N	274.320	3.215	5	50	CGBA	
O=[N+]([O-])c1cccc2ccc(N3CCCCC3)nc12	4754596	HKMZIKCSVMFQPC-UHFFFAOYSA-N	257.293	3.133	5	50	CGBA	
COC(=O)c1cc(N2C[C@@H](C)CC2(C)C)ccc1[N+](=O)[O-]	225543478	ZOYXIXIQIMPHQZ-JTQLQIEISA-N	292.335	3.006	5	50	CGBA	
COc1ccc(-c2nc3cc(C)ccn3c2[N+](=O)[O-])cc1	45027531	GGLMREOHPOMJQA-UHFFFAOYSA-N	283.287	3.227	5	50	CGBA	
Cc1c(C(=O)NCCCc2ccccc2)cccc1[N+](=O)[O-]	2746873	VWITYFNXUHGNOQ-UHFFFAOYSA-N	298.342	3.266	5	50	CGBA	
Cc1cccc(OC(=O)c2ccccc2[N+](=O)[O-])c1C	2860021	VSIFHYHVZPWNEG-UHFFFAOYSA-N	271.272	3.431	5	50	CGBA	
Cc1c(C(=O)Nc2ccccc2)cccc1[N+](=O)[O-]	300557	SBXYFMDZLFADHT-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
CCN1c2ccccc2[S@](=O)c2cc([N+](=O)[O-])ccc21	4773078	ITBLSYQCKBREGR-HXUWFJFHSA-N	288.328	3.233	5	50	CGBA	
CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	3812944	MKXKFYHWDHIYRV-UHFFFAOYSA-N	276.214	3.208	5	50	CGBA	biogenic,fda
COc1ccc(/C=C/C(=O)Oc2ccccc2[N+](=O)[O-])cc1	458758	CYWDTLJDDFMIII-DHZHZOJOSA-N	299.282	3.222	5	50	CGBA	
Cc1ccc(NC(=O)Nc2ccccc2CC[N+](=O)[O-])cc1	1403014	GIANPWPOHJUDAJ-UHFFFAOYSA-N	299.330	3.458	5	50	CGBA	
CC(C)(c1ccc(C(=O)c2ccccc2)cc1)[N+](=O)[O-]	2141641	ZPIBPFBKDWRMRR-UHFFFAOYSA-N	269.300	3.429	5	50	CGBA	
COC(=O)c1cccc(Oc2ccccc2[N+](=O)[O-])c1	7983597	JLDBSSBLARPGPI-UHFFFAOYSA-N	273.244	3.174	5	50	CGBA	
Cn1c(=O)c([N+](=O)[O-])c(Oc2ccccc2)c2ccccc21	271908	QGTKOIGMIQIIBA-UHFFFAOYSA-N	296.282	3.239	5	50	CGBA	
CCN(CC)CCCCCOc1ccc([N+](=O)[O-])cc1	3106086	NZISSDSPXZSSPT-UHFFFAOYSA-N	280.368	3.486	5	50	CGBA	
O=[N+]([O-])c1cc(Br)ccc1N1CCCCC1	4522352	MOAYDALUWCNSSG-UHFFFAOYSA-N	285.141	3.348	5	50	CGBA	
Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C	272482	WTZDHEOVJNGTQX-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
CCOc1ccc(NC(=O)c2ccoc2C)c([N+](=O)[O-])c1	5021116	NMNSWXMWRXGRTD-UHFFFAOYSA-N	290.275	3.147	5	50	CGBA	
Cc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-]	102150	YQVFNVMYAHQUOB-GHMZBOCLSA-N	276.336	3.021	5	50	CGBA	
Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	127860	RBBOFOAAFQFDFH-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
COc1ccc(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	366921	YZQWDZOKEIKQTI-UHFFFAOYSA-N	291.690	3.488	5	50	CGBA	
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)sn1	139445332	DJDYLAWYECUXND-UHFFFAOYSA-N	297.723	3.265	5	50	CGBA	
Cc1c(NC(=O)c2cccs2)cccc1[N+](=O)[O-]	38379	VIVARGUBTQXSHO-UHFFFAOYSA-N	262.290	3.217	5	50	CGBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC(C)(C)C	4313667	NIMYJJLXJWPXHX-UHFFFAOYSA-N	250.298	3.278	5	50	CGBA	
O=[N+]([O-])c1cnc(Nc2ccccc2Cl)c([N+](=O)[O-])c1	3879134	NICUNNRCMXBCDT-UHFFFAOYSA-N	294.654	3.295	5	50	CGBA	
O=C(Nc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])o1	66730	HZAVINYXPIFHAS-UHFFFAOYSA-N	284.630	3.233	5	50	CGBA	
CCC[C@]1(Nc2ncc([N+](=O)[O-])cc2Cl)CCOC1	253423179	VLKUJIQNCOWKDK-LBPRGKRZSA-N	285.731	3.014	5	50	CGBA	
Cc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	102956	ZYYDEPSQJVRZDR-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
O=S(=O)(O)c1cccc2cc3ccccc3cc12	4760487	ILFFFKFZHRGICY-UHFFFAOYSA-N	258.298	3.240	5	50	CGBA	
O=[N+]([O-])c1cccc(SCCO[C@H]2CCCCO2)c1	252487898	IDNBNPKHMLVHNO-ZDUSSCGKSA-N	283.349	3.230	5	50	CGBA	
Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)s1	355899	LRZXJAOUUBYAPE-UHFFFAOYSA-N	280.280	3.356	5	50	CGBA	
O=[N+]([O-])c1ccc(CN2CCCCC2)cc1Cl	187483152	XKEBXFUVTWKTID-UHFFFAOYSA-N	254.717	3.234	5	50	CGBA	
CCOc1c(Cl)cc(Br)cc1[N+](=O)[O-]	82046482	WUTUDOOUHIAOAD-UHFFFAOYSA-N	280.505	3.409	5	50	CGBA	in-vitro
Cc1cc(C)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1	505729	SAUQXLKEFBHHJO-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
Cc1ccc2cc(Br)cc([N+](=O)[O-])c2n1	196022883	JVFBVZXZPOBPMB-UHFFFAOYSA-N	267.082	3.214	5	50	CGBA	
O=[N+]([O-])c1ccccc1CNc1ccc2[nH]ncc2c1	3876212	JGFNMTVHKQPZMI-UHFFFAOYSA-N	268.276	3.083	5	50	CGBA	
CC(C)(C)c1cc(Br)c(O)cc1[N+](=O)[O-]	113694096	XRWRQOLFLQDWOZ-UHFFFAOYSA-N	274.114	3.360	5	50	CGBA	
Cc1cc(Br)c([N+](=O)[O-])cc1Cl	36532867	SJHVPHZZWINMDW-UHFFFAOYSA-N	250.479	3.319	5	50	CGBA	
O=c1oc2ccc3ccccc3c2c(=O)c2ccccc12	309339	XSXTYFZISFXKNX-UHFFFAOYSA-N	274.275	3.460	5	50	CGBA	
CCOc1c(Br)cc(Cl)cc1[N+](=O)[O-]	261494439	XQLKARHZJXAXAO-UHFFFAOYSA-N	280.505	3.409	5	50	CGBA	
CCC[C@@]1(Nc2ncc([N+](=O)[O-])cc2Cl)CCOC1	253423178	VLKUJIQNCOWKDK-GFCCVEGCSA-N	285.731	3.014	5	50	CGBA	
O=Cc1c[nH]c2c1ccc1c2ccc2c(C=O)c[nH]c21	230314	WOASYXSZRSZWFO-UHFFFAOYSA-N	262.268	3.427	5	50	CGBA	biogenic
C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1	20035366	FCBCKDRJNBHFGB-LBPRGKRZSA-N	256.305	3.446	5	50	CGBA	
O=[N+]([O-])c1cccc(Oc2ccccc2[N+](=O)[O-])c1	25921609	AWQDMBLZVJNEHG-UHFFFAOYSA-N	260.205	3.295	5	50	CGBA	
Nc1c([N+](=O)[O-])cc(Cl)c(Cl)c1Br	82200841	PMLIETDTBZGKBM-UHFFFAOYSA-N	285.912	3.246	5	50	CGBA	
O=C(/C=C/c1cccs1)OCc1ccc([N+](=O)[O-])cc1	457462	YOYUGXFQGULSBH-BQYQJAHWSA-N	289.312	3.413	5	50	CGBA	
CC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])s1	4988946	UWTXNBVTYGXDNT-JTQLQIEISA-N	254.355	3.421	5	50	CGBA	
Cn1nccc1[C@H]1CCCCN1c1ccccc1[N+](=O)[O-]	253426748	WQNQSHBZWVQIAY-CYBMUJFWSA-N	286.335	3.060	5	50	CGBA	
CC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1	288763	AMIBWXWSFOLTHS-UHFFFAOYSA-N	282.727	3.120	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3F)n2)cc1	467910	BZGVSFZLJLLFOH-UHFFFAOYSA-N	285.234	3.451	5	50	CGBA	
Cc1c(C(=O)N[C@H]2CCCC[C@H]2C)cccc1[N+](=O)[O-]	2883232	WCNVQOKKYWGOMY-MFKMUULPSA-N	276.336	3.212	5	50	CGBA	
CC(C)(C)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	4828644	IOGMTRJJIWRGJR-UHFFFAOYSA-N	256.689	3.233	5	50	CGBA	
O=[N+]([O-])c1c(N2CCCCCC2)cc(Cl)c2nonc12	3882522	KCAQWGCPKOACRC-UHFFFAOYSA-N	296.714	3.165	5	50	CGBA	
Cc1nc2ccccc2nc1OCc1cccc([N+](=O)[O-])c1	556274	OFJZNDUXCSWQME-UHFFFAOYSA-N	295.298	3.425	5	50	CGBA	
Cc1c(F)cccc1-c1cc(C(=O)O)cc([N+](=O)[O-])c1	85210073	ANIRPDNZSQTMEV-UHFFFAOYSA-N	275.235	3.408	5	50	CGBA	in-vitro
Cc1cc(C)nc(Nc2ccc(C)c([N+](=O)[O-])c2)n1	266625	PLHFVMIRTSEBLE-UHFFFAOYSA-N	258.281	3.054	5	50	CGBA	
CC(C)Nc1cc(F)c(Br)cc1[N+](=O)[O-]	74937716	BPXMIORTUXUUGS-UHFFFAOYSA-N	277.093	3.317	5	50	CGBA	in-vitro
Cc1ccc(N(O)C(=O)Nc2ccccc2[N+](=O)[O-])cc1	4012293	WGFIVSCXRHMXEW-UHFFFAOYSA-N	287.275	3.331	5	50	CGBA	
O=[N+]([O-])[C@@]1(Br)CCC[C@@H](C(F)(F)F)C1	958528118	JUZVZGCZILIHFA-RITPCOANSA-N	276.052	3.107	5	50	CGBA	
Cc1ccc(C(=O)OCc2ccccc2)cc1[N+](=O)[O-]	241280	PNMMUHNFJSEHCU-UHFFFAOYSA-N	271.272	3.260	5	50	CGBA	
O=C(O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	570088	HKMQHJBYZYAYSB-UHFFFAOYSA-N	267.624	3.206	5	50	CGBA	
COc1ccc(NC(=O)NC2CCCCC2)c([N+](=O)[O-])c1	5093890	FATJYTQFUNRCBK-UHFFFAOYSA-N	293.323	3.058	5	50	CGBA	
O=C1c2ccccc2C[N@@+]1([O-])c1ccc(Cl)cc1	247397636	MOVYGUKRSLLDKU-MRXNPFEDSA-N	259.692	3.499	5	50	CGBA	
O=[N+]([O-])c1ccc(Oc2ccccc2[N+](=O)[O-])cc1	1677206	KDIBCWWBNMTRPK-UHFFFAOYSA-N	260.205	3.295	5	50	CGBA	
Cc1cc(Cl)c(Br)c([N+](=O)[O-])c1	199752175	FOKNPAQAGGMCBF-UHFFFAOYSA-N	250.479	3.319	5	50	CGBA	
O=C(Nc1ccccc1[N+](=O)[O-])c1c(F)cccc1F	3998051	RVVBCZDWPHKYNH-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
O=[N+]([O-])c1ccc2[nH]c(CO)c(-c3ccccc3)c2c1	196410627	LLXLUJIFPYOTJD-UHFFFAOYSA-N	268.272	3.235	5	50	CGBA	
C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1COc2ccccc21	192510496	FIVMJVMRTJETKU-WCBMZHEXSA-N	291.332	3.028	5	50	CGBA	
COc1cccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1	464991	VAOJYCBKRSZXDE-MDZDMXLPSA-N	298.298	3.255	5	50	CGBA	
CC[C@@H](Nc1nccc(C)n1)c1cccc([N+](=O)[O-])c1	267260279	KGVPHVVSAKNMHR-CYBMUJFWSA-N	272.308	3.256	5	50	CGBA	
CCCCOC(=O)Nc1cc([N+](=O)[O-])ccc1C	1770710	HFRHMYBARXUBGS-UHFFFAOYSA-N	252.270	3.252	5	50	CGBA	
O=C(Oc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccccc1	22016078	FFVUCQIKJLGTJL-HUUCEWRRSA-N	283.283	3.304	5	50	CGBA	
COC1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1	328593906	YCQASZWKXHQPNP-UHFFFAOYSA-N	288.706	3.003	5	50	CGBA	
O=[N+]([O-])c1ccc(/C=C/c2ccccc2O)c([N+](=O)[O-])c1	2164810	LIBPVNZICNFUQK-AATRIKPKSA-N	286.243	3.379	5	50	CGBA	
COc1ccc2c(c1)[nH]c1c2nc2cc(C)ccn21	45067932	DRMRPIYNRQGCJN-UHFFFAOYSA-N	251.289	3.286	5	50	CGBA	
O=c1ccc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2o1	2954535	XWIYBJNOBJDJGD-UHFFFAOYSA-N	297.266	3.280	5	50	CGBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccccc1	1739155	DUEDTDIABNGYQP-UHFFFAOYSA-N	270.288	3.084	5	50	CGBA	
O=[N+]([O-])c1cc(F)c(Br)c(OC(F)F)c1	263625021	WBOSNTDDYSDAJB-UHFFFAOYSA-N	286.003	3.098	5	50	CGBA	
C[C@@H]1CCCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-]	463536	RXODCDXITBQPQH-BZYZDCJZSA-N	274.320	3.009	5	50	CGBA	
COc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1Cl	4091987	LQZDTPZUQZXYKM-UHFFFAOYSA-N	279.683	3.395	5	50	CGBA	
C[C@H]1CN(C)[C@@H](C)c2c1oc1c([N+](=O)[O-])cccc21	16662133	YEDYHJFVBBFGPZ-IUCAKERBSA-N	260.293	3.451	5	50	CGBA	
O=[N+]([O-])c1cccc(CNCCc2ccc(F)cc2)c1	19720668	RGOBPOMSYBEPJQ-UHFFFAOYSA-N	274.295	3.066	5	50	CGBA	
O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2ccccc2)C1	4761555	IAICSBIOISXTJK-HNNXBMFYSA-N	296.326	3.225	5	50	CGBA	
O=[N+]([O-])c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	4134043	ZKMOMHWTRWMDBT-UHFFFAOYSA-N	278.195	3.434	5	50	CGBA	in-vitro
Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1[N+](=O)[O-]	4891721	JONKKJICAZYXPX-UHFFFAOYSA-N	287.275	3.424	5	50	CGBA	
COc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1	1562070	MXOKGWUJNGEKBH-UHFFFAOYSA-N	293.278	3.296	5	50	CGBA	biogenic,in-vitro
C[C@H](C(=O)N1CCCCCC1)c1ccc([N+](=O)[O-])cc1	472187	SWSILUNMROCEHX-LBPRGKRZSA-N	276.336	3.101	5	50	CGBA	
Cc1ccc(NC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1	4644252	GUAVDYCRXXMOOB-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
CCCC[N+](C)(C)CCSCC[N+](C)(C)CCCC	3123310	AACJVMIWXXWKCG-UHFFFAOYSA-N	290.561	3.473	5	50	CGBA	
Cc1cc(F)ccc1NC(=O)c1ccccc1[N+](=O)[O-]	373913	CIIWVWRVGCXNPV-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1	460050	RYISSEBTUNJJEO-RMKNXTFCSA-N	286.262	3.386	5	50	CGBA	
Cc1c(NC(=O)NC2CCCCC2)cccc1[N+](=O)[O-]	556204	JMRIAASYVNSRPN-UHFFFAOYSA-N	277.324	3.357	5	50	CGBA	
COC(=O)c1cc(F)cc(-c2ccc([N+](=O)[O-])cc2)c1	74937834	ISEQOKFPRSUJQL-UHFFFAOYSA-N	275.235	3.188	5	50	CGBA	in-vitro
C[C@@]12CCCCC1=N[C@@H](c1ccc([N+](=O)[O-])cc1)N2O	19606419	RJFKUDLDCYFOQT-ZIAGYGMSSA-N	275.308	3.072	5	50	CGBA	
Cc1cccc(Nc2c([N+](=O)[O-])ccc3nonc23)c1	3904277	KJUDSMNPOOLXPW-UHFFFAOYSA-N	270.248	3.183	5	50	CGBA	
Cc1ccc(OCCN2CCC(C)CC2)c([N+](=O)[O-])c1	4845120	LZGNJPAFPONPFO-UHFFFAOYSA-N	278.352	3.014	5	50	CGBA	
O=[N+]([O-])c1cc(Br)c(Cl)cc1F	34201893	YVDJBLFLBBBGMD-UHFFFAOYSA-N	254.442	3.150	5	50	CGBA	in-vitro
CCOc1cc([N+](=O)[O-])cc(Cl)c1OC(C)C	261494327	VASQLCIXIOWGIH-UHFFFAOYSA-N	259.689	3.434	5	50	CGBA	
O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2ccncc2)cc1	125457070	OEMIQBNDBJLKLZ-MRXNPFEDSA-N	283.331	3.327	5	50	CGBA	
C[C@H](c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccncc2)no1	472297	IVFAFOIDLVDMEU-SNVBAGLBSA-N	296.286	3.192	5	50	CGBA	
Cc1cc(N2CCC(C)CC2)c(F)cc1[N+](=O)[O-]	3904578	PAKQCVNCHGZBMU-UHFFFAOYSA-N	252.289	3.279	5	50	CGBA	
CC(=O)O[C@H]1c2ccccc2-c2cc([N+](=O)[O-])ccc21	4759507	WZQYOADNXLOMIA-HNNXBMFYSA-N	269.256	3.228	5	50	CGBA	
CC(C)(CCC(=O)c1ccc(Cl)cc1)[N+](=O)[O-]	5632634	BMSZPAULIUOPBH-UHFFFAOYSA-N	255.701	3.358	5	50	CGBA	
CC1=CCC2(CC1)COC(C(C)(C)C[N+](C)(C)C)OC2	354048	ZDBJIADJVSZKKA-UHFFFAOYSA-N	282.448	3.208	5	50	CGBA	
Cc1n[nH]c(Nc2ccccc2Cl)c1[N+](=O)[O-]	4812809	AUWDERDDJCISKX-UHFFFAOYSA-N	252.661	3.023	5	50	CGBA	
Cc1nnc(SCc2ccccc2[N+](=O)[O-])s1	162592	OSICZZXPWKKWMB-UHFFFAOYSA-N	267.335	3.047	5	50	CGBA	
O=C(O)c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1	2534241	JGVKGMGYFKJJLF-UHFFFAOYSA-N	297.650	3.118	5	50	CGBA	
O=[N+]([O-])c1ccc2[nH]c3nc4ccccc4nc3c2c1	3100631	DVCQVUGEZJGWFY-UHFFFAOYSA-N	264.244	3.173	5	50	CGBA	
Cc1ccc(NC(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-]	2172202	JHUCMUHUUYLMSI-JTQLQIEISA-N	277.324	3.167	5	50	CGBA	
O=C(NCc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1	127714642	SODLEYOBIIOAHV-UHFFFAOYSA-N	290.706	3.178	5	50	CGBA	
C[C@]12CCCCC1=N[C@H](c1ccc([N+](=O)[O-])cc1)N2O	19606425	RJFKUDLDCYFOQT-KBPBESRZSA-N	275.308	3.072	5	50	CGBA	
COc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1C2	1713228	QMYBHJHEBLPSTF-UHFFFAOYSA-N	286.243	3.083	5	50	CGBA	
CCN(c1ccccc1)c1ccc2nonc2c1[N+](=O)[O-]	4116724	GZVQZOYBGNQROL-UHFFFAOYSA-N	284.275	3.289	5	50	CGBA	
CC(=O)c1cc(OCc2ccccc2)cc([N+](=O)[O-])c1O	85221380	WJTGHNZQGWPVID-UHFFFAOYSA-N	287.271	3.082	5	50	CGBA	in-vitro
O=C1C[C@H](c2ccccc2[N+](=O)[O-])c2ccccc2N1	87675	ZRGZXYFMFDBJQY-LBPRGKRZSA-N	268.272	3.069	5	50	CGBA	
CCCCCNC(=O)CSCc1ccc([N+](=O)[O-])cc1	2853962	JEERNBQALBVVIX-UHFFFAOYSA-N	296.392	3.134	5	50	CGBA	
Cc1c(Cl)cc([N+](=O)[O-])c(O)c1Br	307536847	UFUXDBORJFMKPJ-UHFFFAOYSA-N	266.478	3.025	5	50	CGBA	
COc1cc(-c2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1OC	32149	BRTFSWIAKCRHFP-UHFFFAOYSA-N	299.286	3.155	5	50	CGBA	
O=C(NC1CCCCCC1)c1cccc([N+](=O)[O-])c1	271435	SVAUXOSJUPKYIC-UHFFFAOYSA-N	262.309	3.047	5	50	CGBA	
CC(=O)c1cccc(OC(=O)c2cccc([N+](=O)[O-])c2C)c1	318506	YPNWAYLCXXJHOF-UHFFFAOYSA-N	299.282	3.325	5	50	CGBA	
CC(C)NC(=O)c1cc2c(ccc3ccccc32)oc1=N	3856312	PSFYZKCNWGNYQP-UHFFFAOYSA-N	280.327	3.204	5	50	CGBA	
O=C(O)c1[nH]c2c([N+](=O)[O-])cccc2c1-c1ccccc1	32918984	BQXZKLVLIANTAV-UHFFFAOYSA-N	282.255	3.441	5	50	CGBA	
COc1ccc(/C=C(/c2ccc(OC)cc2)[N+](=O)[O-])cc1	1848444053	FVBLMGRPCQBEKQ-WJDWOHSUSA-N	285.299	3.479	5	50	CGBA	
Cc1cc2oc(=O)c3c(c2c2occc(=O)c12)CCCC3	2084329522	ZYTQOCPLJBSUAP-UHFFFAOYSA-N	282.295	3.087	5	50	CGBA	
CCC(CC)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	456104	HVCWLJVLUHTZSJ-UHFFFAOYSA-N	270.716	3.167	5	50	CGBA	
Cc1n[nH]c(C)c1CCCCOc1ccccc1[N+](=O)[O-]	2880622	CBTSLSULCUWYJW-UHFFFAOYSA-N	289.335	3.336	5	50	CGBA	
CC1=N[N+](C)=C(/C=C/c2cccc([N+](=O)[O-])c2)C1(C)C	5306680	AMDTXGYMRBUVPT-CMDGGOBGSA-N	272.328	3.107	5	50	CGBA	
CCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	61710	PZEDUAAQRVKPFO-UHFFFAOYSA-N	270.288	3.410	5	50	CGBA	
Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1	5013933	RNTLWMDMULGDGA-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
COC(=O)c1sccc1Oc1ccc([N+](=O)[O-])cc1	82547	RFBDROODMZKCQG-UHFFFAOYSA-N	279.273	3.235	5	50	CGBA	
Cc1cc([N+](=O)[O-])cc(Br)c1-n1cccc1	1395196	SKSTWSHCHGLELK-UHFFFAOYSA-N	281.109	3.456	5	50	CGBA	
O=[N+]([O-])c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2	1680753	IHZCVUBSTYOFSJ-UHFFFAOYSA-N	256.217	3.074	5	50	CGBA	
O=C(O[C@H]1C=C[C@H]2CC[C@H]1C2)c1ccc([N+](=O)[O-])cc1	100697533	UEZJBGRYPHGUOE-OSMZGAPFSA-N	273.288	3.106	5	50	CGBA	
C[C@H]1C[C@@H](C)CN(CCCOc2ccccc2[N+](=O)[O-])C1	2822807	PTLMVVWYWFSMLQ-OKILXGFUSA-N	292.379	3.342	5	50	CGBA	
Nc1cc(Oc2ccc(F)cc2F)cc([N+](=O)[O-])c1	265776	GKLDSHJWEFVOCI-UHFFFAOYSA-N	266.203	3.248	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1NCc1ccc(F)c(F)c1	292779	UMAPOOJIIXFWNH-UHFFFAOYSA-N	294.257	3.494	5	50	CGBA	
CCCCCOC(=O)C(C)(C)CC[C@@H](C)[N+](=O)[O-]	45068402	YVTKXQZABVNMMV-LLVKDONJSA-N	259.346	3.191	5	50	CGBA	
CCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	2970033	JMNYHUKKOYSKLW-UHFFFAOYSA-N	256.689	3.377	5	50	CGBA	
Cc1cc(C)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1	5013771	CCZYYTZFZDWLQE-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
Cc1ccc(NC(=O)c2ccccc2F)c([N+](=O)[O-])c1	4423196	NRKGDKAWBXVQNY-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
O=[N+]([O-])c1ccc(Nc2ncnc3ccccc23)cc1	3902700	PRIPWJUHQFRNDG-UHFFFAOYSA-N	266.260	3.282	5	50	CGBA	
COC(=O)c1cc([N+](=O)[O-])cc2c1Oc1ccccc1O2	8816502	PUPMDEODEBFKOQ-UHFFFAOYSA-N	287.227	3.279	5	50	CGBA	
Cc1cc(Br)cc([N+](=O)[O-])c1-n1cccc1	1395195	IXKMATVNIGXDFD-UHFFFAOYSA-N	281.109	3.456	5	50	CGBA	
Cc1cccc2nc(-c3cccc([N+](=O)[O-])c3)oc(=O)c12	81348	JKGJOOSTPLDFAJ-UHFFFAOYSA-N	282.255	3.072	5	50	CGBA	
CC1=C[C@H](C)C(=O)N(CC[C@@H]2CCCC[N+]2(C)C)C(C)=C1	71787009	RVMDGLMQUOKCOT-RDJZCZTQSA-N	291.459	3.334	5	50	CGBA	
Cc1ccccc1-n1ncc2ccc([N+](=O)[O-])cc21	85664	SHWDHTUVDRASDK-UHFFFAOYSA-N	253.261	3.242	5	50	CGBA	
Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)s1	4750572	XGEBWCHNAZADCZ-UHFFFAOYSA-N	262.290	3.217	5	50	CGBA	
CCCCCNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F	313196877	XYURGVHBYZDHBD-UHFFFAOYSA-N	286.278	3.101	5	50	CGBA	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccccc1	2464494	UJHYOMVTFAFFGU-GJZGRUSLSA-N	282.299	3.337	5	50	CGBA	
O=[N+]([O-])c1ccc2ccn(Cc3ccc(CO)cc3)c2c1	129064166	GCXXNVGBLHJCJA-UHFFFAOYSA-N	282.299	3.090	5	50	CGBA	
Cc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)o1	106385	YDLGYYXPNNAUDW-BQYQJAHWSA-N	286.287	3.457	5	50	CGBA	
O=[N+]([O-])c1ccc(Oc2cccc(Cl)c2)nc1	92601	WKTUEZNFBQUESF-UHFFFAOYSA-N	250.641	3.436	5	50	CGBA	
CCOc1ccc(Oc2cc(O)cc([N+](=O)[O-])c2)cc1	615373	JCPNGIFYWGJBFA-UHFFFAOYSA-N	275.260	3.491	5	50	CGBA	
COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	4997371	ZOFMPEPWWRZOGC-NYYWCZLTSA-N	298.298	3.255	5	50	CGBA	
O=[N+]([O-])c1ccn(Cc2ccc(Cl)cc2Cl)n1	2576234	WOZZLGDAWMYIKA-UHFFFAOYSA-N	272.091	3.146	5	50	CGBA	
CCOC(=O)c1cc(Cl)c([N+](=O)[O-])cc1Cl	263624007	MOADXHNWWYOLSL-UHFFFAOYSA-N	264.064	3.078	5	50	CGBA	
O=[N+]([O-])c1ccc(Cl)cc1NCc1ccco1	4126214	MPBPTAWINQRLFR-UHFFFAOYSA-N	252.657	3.453	5	50	CGBA	
Cc1cccnc1NC(=S)Nc1ccc([N+](=O)[O-])cc1	5041448	OCVSUATZCLVOFJ-UHFFFAOYSA-N	288.332	3.107	5	50	CGBA	
Cc1cccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)n1	472034	GDEWFJDQIBLKEB-LLVKDONJSA-N	285.303	3.040	5	50	CGBA	
Cc1ccc([N+](=O)[O-])c(OCCCNC2CCCC2)c1	2844452	VZSGEDDHPIQVKO-UHFFFAOYSA-N	278.352	3.204	5	50	CGBA	
C[C@@]1([N+](=O)[O-])c2ccccc2-c2ccc([N+](=O)[O-])cc21	3132302	XLUGBGFQBCHCLL-CQSZACIVSA-N	270.244	3.115	5	50	CGBA	
O=C(Nc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1	6863334	XKVRQHTZNIMPPL-UHFFFAOYSA-N	298.711	3.349	5	50	CGBA	
CC(C)(C)OC(=O)Nc1cc(F)ccc1[N+](=O)[O-]	89064950	KQXLDRFQXVVIJB-UHFFFAOYSA-N	256.233	3.081	5	50	CGBA	
CC[C@@](C)(c1ccc([N+](=O)[O-])cc1)C(C)(C)[N+](=O)[O-]	3080650	MECZACIVDFZVTL-ZDUSSCGKSA-N	266.297	3.318	5	50	CGBA	
Cc1ccc2c(=O)c3ccccc3n(CCCN)c2c1C	3828042	CFPDEQBPNROZDC-UHFFFAOYSA-N	280.371	3.120	5	50	CGBA	in-vitro
O=[N+]([O-])c1c(O)cc(Br)cc1C(F)(F)F	575691228	KTOKBPBGMKRGLT-UHFFFAOYSA-N	286.003	3.082	5	50	CGBA	
CCC[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1F	457258	DNGCKAOEMWTIES-QMMMGPOBSA-N	254.261	3.109	5	50	CGBA	
O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1F	74937800	RICZCAUZHVJLLO-UHFFFAOYSA-N	261.208	3.099	5	50	CGBA	in-vitro
Cc1cc(C(F)(F)F)nc2sc([N+](=O)[O-])c(N)c12	5078070	ULHJQQBEEAOWQX-UHFFFAOYSA-N	277.227	3.114	5	50	CGBA	
Cc1cnc(Cl)nc1Nc1cccc([N+](=O)[O-])c1	113447488	LGDZHLUWVLZOKL-UHFFFAOYSA-N	264.672	3.090	5	50	CGBA	in-vitro
O=[N+]([O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	3860945	RHTVQEPJVKUMPI-UHFFFAOYSA-N	259.221	3.247	5	50	CGBA	
Cc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1	4576286	MPEPLCORQWBDGB-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
O=C(O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	4710263	AWELCBAXCALMIX-GXDHUFHOSA-N	269.256	3.220	5	50	CGBA	
CCCOc1cc(Br)cc([N+](=O)[O-])c1	261493444	BFKORDRBSFVTGZ-UHFFFAOYSA-N	260.087	3.146	5	50	CGBA	
CCC(=O)c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1	472321	MCPSBJFWMGXEAS-UHFFFAOYSA-N	299.282	3.407	5	50	CGBA	
O=[N+]([O-])c1ccc([C@@H](O)Cc2ccnc3ccccc23)cc1	71771088	CLGFBSSOIWDRQK-KRWDZBQOSA-N	294.310	3.419	5	50	CGBA	
Cc1ccccc1[C@H](c1ccccc1)[N+](C)(C)CCO	15637026	BGFWERKPECHIAR-SFHVURJKSA-N	270.396	3.153	5	50	CGBA	
Cc1ccccc1/C(=C1\OC(=O)c2ccccc21)[N+](=O)[O-]	1784655	XMQQFVQARVCDCQ-CCEZHUSRSA-N	281.267	3.268	5	50	CGBA	
Cc1ccc(NC(=O)c2ccoc2C)cc1[N+](=O)[O-]	253615	QAXUCUPHIUIIED-UHFFFAOYSA-N	260.249	3.057	5	50	CGBA	
O=[N+]([O-])c1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1	1693410	GLBZQZXDUTUCGK-UHFFFAOYSA-N	258.233	3.094	5	50	CGBA	
Cc1cc(C)c2nc(-c3cccc([N+](=O)[O-])c3)oc(=O)c2c1	42220	OENYNSFDFMJSRS-UHFFFAOYSA-N	296.282	3.380	5	50	CGBA	
C[C@@H](C(=O)Nc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1	471313	FNNGRFUHUKRBOP-SNVBAGLBSA-N	288.278	3.476	5	50	CGBA	
CCn1nc(C)cc1C(=O)c1cc([N+](=O)[O-])ccc1Cl	44125651	LQCJGNHFQJWJSL-UHFFFAOYSA-N	293.710	3.004	5	50	CGBA	
Nc1c([N+](=O)[O-])cc(Br)c2ccccc12	91301334	HDIRDIWTOYQFJI-UHFFFAOYSA-N	267.082	3.093	5	50	CGBA	
C[n+]1c(Cc2ccc([N+](=O)[O-])cc2)sc2ccccc21	272125	WOHPPQBUEHCASY-UHFFFAOYSA-N	285.348	3.225	5	50	CGBA	
CCCN(CC(=O)O)Cc1ccc(C(C)C)c([N+](=O)[O-])c1	263421660	PCUPTTIENYHULI-UHFFFAOYSA-N	294.351	3.015	5	50	CGBA	
Cc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]	121120	MCHSGYYSXRCUMZ-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	3959532	ABXKGSXNOJYBBX-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
COC(=O)c1cccc(-c2ccccc2[N+](=O)[O-])c1	97757035	KQIMJLBUUHZYKV-UHFFFAOYSA-N	257.245	3.048	5	50	CGBA	
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c1Cl	498050260	SYLUYXLDZLJZTA-UHFFFAOYSA-N	251.025	3.118	5	50	CGBA	
CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1N	97763	DLLNLXISNQAKJZ-UHFFFAOYSA-N	292.316	3.082	5	50	CGBA	
O=[N+]([O-])c1cccc(-c2noc(COc3ccccc3)n2)c1	432933	QEVWQJHTCVJDLY-UHFFFAOYSA-N	297.270	3.224	5	50	CGBA	
Cc1ccc(CN(C=O)[C@@H](C)c2cccnc2)cc1[N+](=O)[O-]	1875326018	XWMHJTLXZPLSJQ-ZDUSSCGKSA-N	299.330	3.018	5	50	CGBA	
Cc1c(C(=O)Oc2ccc(F)cc2)cccc1[N+](=O)[O-]	572110	RSOMTHMOGVQHRE-UHFFFAOYSA-N	275.235	3.262	5	50	CGBA	
O=[N+]([O-])c1ccccc1-c1nnc2ccc3ccccc3n12	32827	VAWNJYREKUDJBL-UHFFFAOYSA-N	290.282	3.458	5	50	CGBA	
O=[N+]([O-])c1ccccc1Nc1ccccc1[N+](=O)[O-]	3880529	RENCFAVKFWOLJJ-UHFFFAOYSA-N	259.221	3.247	5	50	CGBA	
C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	12383825	XLQHHCZQPNXQRV-OCHBPSSRSA-N	296.326	3.485	5	50	CGBA	
CC(=O)Oc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2	1690479	RBLZCCSHIDZNII-UHFFFAOYSA-N	269.256	3.091	5	50	CGBA	
O=C(O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	3888772	UGUUCNPLYAGMNG-UHFFFAOYSA-N	258.233	3.037	5	50	CGBA	
O=C(C[C@@H](C[N+](=O)[O-])c1ccccc1)c1ccccc1	3844504	HSDQDDXGMUPFTK-HNNXBMFYSA-N	269.300	3.320	5	50	CGBA	biogenic
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	291657	NPAIHQAJDKTCEJ-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
CC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	60941	LILNIEMVSAMBOI-UHFFFAOYSA-N	299.282	3.325	5	50	CGBA	
Cc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	464164	PUAWTTSMGQPHLF-UHFFFAOYSA-N	284.315	3.393	5	50	CGBA	
Cc1cccc(Nc2c([N+](=O)[O-])ccc3nonc23)c1C	4116756	WIKRVMIJLNCLOI-UHFFFAOYSA-N	284.275	3.491	5	50	CGBA	
Cc1cc(F)c(NC(=O)c2ccsc2)cc1[N+](=O)[O-]	252480188	BXQMXYXRZVEBOL-UHFFFAOYSA-N	280.280	3.356	5	50	CGBA	
O=[N+]([O-])c1ccc(CNc2cccc(CO)c2)c(Cl)c1	180886025	SCNJWGUZHXALAA-UHFFFAOYSA-N	292.722	3.353	5	50	CGBA	
Cc1cc(Oc2ccn3ccnc3c2)ccc1[N+](=O)[O-]	498050746	PAZWIEOXBISWCR-UHFFFAOYSA-N	269.260	3.343	5	50	CGBA	
Cn1c2ccc([N+](=O)[O-])cc2c2nc3ccccc3nc21	208555	FSOVYGKVEFRXPK-UHFFFAOYSA-N	278.271	3.183	5	50	CGBA	
Cc1ccc([N+](=O)[O-])c(N2CCC(C(C)C)CC2)n1	178240221	YBDQJGPTUPBBAG-UHFFFAOYSA-N	263.341	3.171	5	50	CGBA	
C[N@+]1(Cc2ccccc2)CCC[C@@H]1c1ccc(N)nc1	245380053	PUHXBHUWCKYEFK-OXQOHEQNSA-N	268.384	3.146	5	50	CGBA	biogenic,in-vitro
Cc1ccc(-c2nc(-c3ccccn3)no2)cc1[N+](=O)[O-]	78907	NVWFCLOBNVFWGR-UHFFFAOYSA-N	282.259	3.015	5	50	CGBA	
CC(C)COc1cc(Br)ccc1[N+](=O)[O-]	575442686	DYOOAPIKOIGIES-UHFFFAOYSA-N	274.114	3.392	5	50	CGBA	
O=Cc1ccc(-c2ccc(F)c(F)c2F)c([N+](=O)[O-])c1	725272777	VFHJJNSEBQBDOE-UHFFFAOYSA-N	281.189	3.492	5	50	CGBA	
CO[C@H](C)COc1ccc2ccc3cccnc3c2n1	1875298649	IPFZPPODLGHPPP-LLVKDONJSA-N	268.316	3.197	5	50	CGBA	
COc1ccc(/C=C/C(=O)Oc2cccc([N+](=O)[O-])c2)cc1	314829	VBFJBUNUEUSIOW-JXMROGBWSA-N	299.282	3.222	5	50	CGBA	
Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	38668	DVGZCOXLBSVYBJ-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
O=[N+]([O-])c1ccc(N2CCCC2)cc1N1CCCCC1	3877919	BUEFECGURTZCBQ-UHFFFAOYSA-N	275.352	3.185	5	50	CGBA	
Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1	86803	AUDLCZVUSGHUNJ-UHFFFAOYSA-N	267.335	3.047	5	50	CGBA	
Cc1cc(O)cc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1	92386	VPENAHFLUKWNNH-UHFFFAOYSA-N	286.287	3.170	5	50	CGBA	
CCCCOc1ccc(-c2ncc([N+](=O)[O-])cn2)cc1	2265951	VPFJVPVIBWFCLC-UHFFFAOYSA-N	273.292	3.231	5	50	CGBA	
C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1cn[nH]c1	231676911	IZWVEICEECFVSW-ZETCQYMHSA-N	266.688	3.144	5	50	CGBA	
C[C@H]1CC(C)(C)C[C@](Br)([N+](=O)[O-])C1	958528865	XEKBCHSLQYFJLS-IONNQARKSA-N	250.136	3.201	5	50	CGBA	
CC(C)(C)OC(=O)n1ccc2ccc([N+](=O)[O-])cc21	77032283	MQRWVUYQAKQBPO-UHFFFAOYSA-N	262.265	3.333	5	50	CGBA	in-vitro
O=[N+]([O-])c1ccc2c(CN3CCCCCC3)c[nH]c2c1	1852834	JAYXGHMHYKCWKM-UHFFFAOYSA-N	273.336	3.452	5	50	CGBA	
Cc1ccc2c(c1)sc(=N)n2Cc1ccc([N+](=O)[O-])cc1	3880537	SAGJUGJVZTUMRH-UHFFFAOYSA-N	299.355	3.447	5	50	CGBA	
O=C(CCOc1ccccc1)Nc1cccc([N+](=O)[O-])c1	37934	PWPBIGOREKFEIG-UHFFFAOYSA-N	286.287	3.002	5	50	CGBA	
C[N+]1(C)CCC(CCCC[N+]2(C)CCCCC2)CC1	1857798305	SSRVVZKCYQGOCN-UHFFFAOYSA-N	268.489	3.274	5	50	CGBA	
C[C@@H]1C[C@@H](C)CN(CCCOc2ccccc2[N+](=O)[O-])C1	2822808	PTLMVVWYWFSMLQ-ZIAGYGMSSA-N	292.379	3.342	5	50	CGBA	
CC1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	102878	KJBHEBDGLZYWIU-UHFFFAOYSA-N	282.727	3.120	5	50	CGBA	
O=C(Nc1cccc2ncccc12)c1ccccc1[N+](=O)[O-]	556407	XEYLVIMKRXECCW-UHFFFAOYSA-N	293.282	3.395	5	50	CGBA	
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(F)c1	451284	LVYIDVWIXISAGF-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
CC(C)(C)c1cc(Br)c(N)c([N+](=O)[O-])c1	36532764	HLULCDGWDGAVKY-UHFFFAOYSA-N	273.130	3.237	5	50	CGBA	
CS/C(=C\[N+](=O)[O-])Nc1ccc(OC(F)(F)F)cc1	5211183	XMMUMYKHLBTDOY-TWGQIWQCSA-N	294.254	3.436	5	50	CGBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)OCc1ccccc1	5064221	CCBJUOVCMNSVPT-UHFFFAOYSA-N	272.260	3.344	5	50	CGBA	in-vitro
CCC[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C	4599564	QIXBISKXRSQSFL-VIFPVBQESA-N	250.298	3.278	5	50	CGBA	
CCOC(=O)c1ccc(Cl)c(Cl)c1[N+](=O)[O-]	263622959	CKZKNNGIBOJCST-UHFFFAOYSA-N	264.064	3.078	5	50	CGBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1	146715	GTJRARGKGRCIBY-MDZDMXLPSA-N	268.272	3.247	5	50	CGBA	
O=[N+]([O-])c1ccc([C@H](O)Cc2ccnc3ccccc23)cc1	71771090	CLGFBSSOIWDRQK-QGZVFWFLSA-N	294.310	3.419	5	50	CGBA	
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NN=C(c2ccccc2)S1	2915178	DBHLSFHIRABFSN-OAHLLOKOSA-N	299.355	3.466	5	50	CGBA	
Cc1cc(OCCCCN2CCCC2)ccc1[N+](=O)[O-]	3003640	GQBOWBAYHYWPQE-UHFFFAOYSA-N	278.352	3.158	5	50	CGBA	
Cc1c(C)c([N+](=O)[O-])c(Br)c(C)c1[N+](=O)[O-]	4582755	ZMHKCOHMNLOBFO-UHFFFAOYSA-N	289.085	3.191	5	50	CGBA	
O=[N+]([O-])c1cc(F)cc(Br)c1OC(F)F	263623926	LWJRPYWTAUITEF-UHFFFAOYSA-N	286.003	3.098	5	50	CGBA	
Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1C	308500	ZSPQIQDWQJMQRC-UHFFFAOYSA-N	271.272	3.431	5	50	CGBA	
CC(=O)Oc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	437689	LYYLVDKBTQOJSW-UHFFFAOYSA-N	273.244	3.312	5	50	CGBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21	4700923	XGBMFPPLXHVCJG-UHFFFAOYSA-N	283.287	3.189	5	50	CGBA	
CC(C)(C)OC(=O)n1ccc2cc([N+](=O)[O-])ccc21	38235859	GSHXPDVMVVLYLH-UHFFFAOYSA-N	262.265	3.333	5	50	CGBA	
O=[N+]([O-])c1ccc(N[C@H]2CCCc3ccccc32)nc1	23549933	FPHIVFIZEDBOIU-AWEZNQCLSA-N	269.304	3.479	5	50	CGBA	
COC(=O)c1cc(N2C[C@H](C)CC2(C)C)ccc1[N+](=O)[O-]	225543450	ZOYXIXIQIMPHQZ-SNVBAGLBSA-N	292.335	3.006	5	50	CGBA	
O=[N+]([O-])c1cc(Br)c(F)c(Br)c1	74937737	TUGFLGHTSGQDQE-UHFFFAOYSA-N	298.893	3.259	5	50	CGBA	in-vitro
O=[N+]([O-])c1ccc(CNCCc2cccc(F)c2)cc1	19720754	WNELPJCUWPWLCU-UHFFFAOYSA-N	274.295	3.066	5	50	CGBA	
CCCCOc1ccc(-c2csc(N)n2)cc1[N+](=O)[O-]	17439709	BTDMZDZRYCCYAD-UHFFFAOYSA-N	293.348	3.479	5	50	CGBA	
CCn1c2c(c3cc([N+](=O)[O-])ccc31)CCCC2=O	102908	JLATZFKTTPPDHI-UHFFFAOYSA-N	258.277	3.088	5	50	CGBA	
Cc1c(C(=O)Nc2ccc(N(C)C)cc2)cccc1[N+](=O)[O-]	447414	NXBANSPCSVMLAS-UHFFFAOYSA-N	299.330	3.222	5	50	CGBA	
COC(=O)c1cc(-c2ccccc2)cc([N+](=O)[O-])c1	97757067	FZUCZSWJAUYLMI-UHFFFAOYSA-N	257.245	3.048	5	50	CGBA	
C[N@+]12CCCC[C@@H]1[C@H](COC(=O)c1cccs1)CCC2	252441432	VFBGOHJRQMLKDQ-JJRVBVJISA-N	294.440	3.314	5	50	CGBA	biogenic
Cc1c(C(=O)Nc2ccc(Cl)cn2)cccc1[N+](=O)[O-]	170956	ARQRLKZEVQZLFM-UHFFFAOYSA-N	291.694	3.204	5	50	CGBA	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1	239254630	YNVAQOXIURTABG-UHIISALHSA-N	276.336	3.149	5	50	CGBA	
CCOc1cc([N+](=O)[O-])cc(C(F)(F)F)c1F	261494173	RLWLNUVIRRPIDM-UHFFFAOYSA-N	253.151	3.151	5	50	CGBA	
O=[N+]([O-])c1ccccc1CNCCc1c[nH]c2ccccc12	19349544	ZIEAAKFMVJDXHQ-UHFFFAOYSA-N	295.342	3.408	5	50	CGBA	
COc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1	120865	BQNCXDGJKDXVEX-UHFFFAOYSA-N	297.270	3.320	5	50	CGBA	
CC(C)C(NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C	454331	YCSQCQVCMUNTIN-UHFFFAOYSA-N	264.325	3.005	5	50	CGBA	
CCc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1	461269	UFIJPVPQPQONTH-UHFFFAOYSA-N	270.288	3.410	5	50	CGBA	
O=C(Nc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1	610562	SZWNCUQLUNZHLN-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
CC1CCN(CCCCOc2ccc([N+](=O)[O-])cc2)CC1	2957554	KLIDTYATYPHMNC-UHFFFAOYSA-N	292.379	3.486	5	50	CGBA	
O=[N+]([O-])c1ccccc1SNc1ccc2c(c1)OCO2	4159241	WSLQONDAYFDDPC-UHFFFAOYSA-N	290.300	3.443	5	50	CGBA	
CC(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C	83619	VNVLPLZRLNYOQH-UHFFFAOYSA-N	282.295	3.222	5	50	CGBA	biogenic,in-vivo
CCc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])o1	272165	XNURJOOOKYBJEJ-UHFFFAOYSA-N	274.276	3.311	5	50	CGBA	
O=C(Oc1ccc2c(c1)oc(=O)c1ccccc12)C1CC1	457679	GGMJIUWMVNRFRQ-UHFFFAOYSA-N	280.279	3.262	5	50	CGBA	
CCC(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1F	466737	BMUMAKCIQYXNTM-UHFFFAOYSA-N	254.261	3.109	5	50	CGBA	
Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1C	4010825	GCDQQBOOADWMIO-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
O=C(Cc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1	450203	FQYNMCGYXSHSJM-UHFFFAOYSA-N	290.706	3.429	5	50	CGBA	
O=[N+]([O-])c1ccc(C[n+]2ccc3ccccc3c2)cc1	1500760	HXKXCZABZBBREF-UHFFFAOYSA-N	265.292	3.084	5	50	CGBA	
Cn1nc([N+](=O)[O-])nc1Sc1cccc2ccccc12	2833246	GSJBVHKIFCYJNM-UHFFFAOYSA-N	286.316	3.028	5	50	CGBA	
Cc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-]	18086827	YQVFNVMYAHQUOB-PHIMTYICSA-N	276.336	3.021	5	50	CGBA	
O=[N+]([O-])c1cccc2c(I)cccc12	61500	UDBGBAQMJJEQQN-UHFFFAOYSA-N	299.067	3.353	5	50	CGBA	
Cc1ccc(OCCCCN2CCCC2)c([N+](=O)[O-])c1	3003898	HKDYNSIPOUOYEG-UHFFFAOYSA-N	278.352	3.158	5	50	CGBA	
Cc1cc(OC(F)F)c(Br)cc1[N+](=O)[O-]	263623296	GHTIMUXQEDIHNJ-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
Cc1cc(C)cc(Nc2ccc([N+](=O)[O-])nc2[N+](=O)[O-])c1	5015803	PAJDAHHFBQITKG-UHFFFAOYSA-N	288.263	3.258	5	50	CGBA	
O=C(NC1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl	102107	DVPHWEJWOHYOFA-UHFFFAOYSA-N	282.727	3.311	5	50	CGBA	
CN(C)C(=S)Sc1nc2ccc([N+](=O)[O-])cc2s1	71772524	QLSTYRRRBBUVBZ-UHFFFAOYSA-N	299.402	3.143	5	50	CGBA	
CC(C)N[C@H]1CCCc2c1[nH]c1ccc([N+](=O)[O-])cc21	5032196	KNMCBZZIELOGNU-AWEZNQCLSA-N	273.336	3.452	5	50	CGBA	
O=[N+]([O-])c1ccccc1OCCCn1cnc2ccccc21	13153056	QMRKWEZGFBRLRC-UHFFFAOYSA-N	297.314	3.414	5	50	CGBA	
O=[N+]([O-])c1ccc(N2CCC[C@H](C(F)(F)F)C2)cc1	85652847	GOMXWUJOKDHSBV-VIFPVBQESA-N	274.242	3.374	5	50	CGBA	
CNc1cc(OCc2ccccc2)ccc1[N+](=O)[O-]	90505400	AECXJADMKJXBOY-UHFFFAOYSA-N	258.277	3.216	5	50	CGBA	in-vitro
COc1ccc(Oc2ccc(C=O)cc2[N+](=O)[O-])cc1	3267939	BCNMFOKLPNNNQF-UHFFFAOYSA-N	273.244	3.208	5	50	CGBA	
O=C1C[C@@H]2c3cc([N+](=O)[O-])ccc3N[C@H]2c2ccccc2N1	1775953738	NODLZSCZNWEUSM-WBMJQRKESA-N	295.298	3.187	5	50	CGBA	
CC1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1	221531313	QPRSHJCHGQKFBQ-UHFFFAOYSA-N	275.352	3.405	5	50	CGBA	
CS(C)(=O)=Nc1cccc(-c2ccccc2[N+](=O)[O-])n1	2325822291	OVEFDHDBQJJMME-UHFFFAOYSA-N	291.332	3.016	5	50	CGBA	
O=[N+]([O-])c1ccc([C@@H]2NN=C(Cc3ccccc3)S2)cc1	432399	WBUDSFZVSCFEFR-OAHLLOKOSA-N	299.355	3.486	5	50	CGBA	
O=[N+]([O-])c1ccc2nc3c([nH]c4ccccc43)c(O)c2c1	448383	NXXPHGXXJFGMKQ-UHFFFAOYSA-N	279.255	3.483	5	50	CGBA	
COC(=O)c1ccccc1-c1cccc([N+](=O)[O-])c1	22201658	XRVFDDFISPMXHE-UHFFFAOYSA-N	257.245	3.048	5	50	CGBA	
C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1	2164958	IQAAIDFAGBSKDA-LLVKDONJSA-N	298.298	3.052	5	50	CGBA	
Cc1cc(NC2CCC(F)(F)CC2)ncc1[N+](=O)[O-]	389995390	HOVKFLKGWBQDQU-UHFFFAOYSA-N	271.267	3.288	5	50	CGBA	
O=C(Nc1cccc([N+](=O)[O-])c1)Oc1ccccc1	2008751	JRBQTHUEPKJNBD-UHFFFAOYSA-N	258.233	3.206	5	50	CGBA	
CCCOc1cc([N+](=O)[O-])c(OCC)cc1Cl	2581932	CUEHWGDESBLWOS-UHFFFAOYSA-N	259.689	3.436	5	50	CGBA	
CN(C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccccn1	4980805	DFVQFBRINHBGHT-SOFGYWHQSA-N	297.358	3.178	5	50	CGBA	
Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl	5421203	GRDGBWVSVMLKBV-UHFFFAOYSA-N	276.679	3.061	5	50	CGBA	in-vitro
O=C(c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	5899758	HHBAMTFXSSAHDN-UHFFFAOYSA-N	296.326	3.426	5	50	CGBA	
O=[N+]([O-])c1cccc2c1C(F)(F)C(F)(F)C2(F)F	451563	ZDSHVCAHEXCNAV-UHFFFAOYSA-N	271.116	3.427	5	50	CGBA	
O=C1c2ccccc2-c2c(Cl)cc([N+](=O)[O-])cc21	1730711	DTMFDFHSNCEHGI-UHFFFAOYSA-N	259.648	3.460	5	50	CGBA	
COc1ccc(Cl)cc1Nc1n[nH]c(C)c1[N+](=O)[O-]	8972881	VTYNFHJFZUJIAX-UHFFFAOYSA-N	282.687	3.032	5	50	CGBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	101573477	MEZYRGRFFFACLP-DUBDDPSESA-N	286.331	3.134	5	50	CGBA	
Cc1cc(-c2nc(-c3ccccn3)no2)ccc1[N+](=O)[O-]	535383	KPDYUDLHNNDWFY-UHFFFAOYSA-N	282.259	3.015	5	50	CGBA	
Cc1c(C(=O)N[C@@H]2CCCC[C@H]2C)cccc1[N+](=O)[O-]	2883233	WCNVQOKKYWGOMY-ZWNOBZJWSA-N	276.336	3.212	5	50	CGBA	
Cc1cc(OCCN2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-]	4913346	WYOPNAZNNNWSQM-STQMWFEESA-N	292.379	3.260	5	50	CGBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCCCC1	5062947	PQSBQLLYBIPIEH-UHFFFAOYSA-N	293.323	3.011	5	50	CGBA	
O=C(c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1	58234	YBDBYPQFIMSFJW-UHFFFAOYSA-N	261.664	3.479	5	50	CGBA	
CC[C@H](Nc1ccc([N+](=O)[O-])c(C)n1)c1ccccn1	952963290	FZSWJQRIHBITHM-NSHDSACASA-N	272.308	3.256	5	50	CGBA	
O=C(O)c1sccc1Oc1ccc([N+](=O)[O-])cc1	166264	BOSTZGBMJSOKIC-UHFFFAOYSA-N	265.246	3.147	5	50	CGBA	in-vitro
Cc1ccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])cc1	464313	BIQKSVCLRHSQRK-UHFFFAOYSA-N	284.315	3.142	5	50	CGBA	
CCOc1c(Cl)cc([N+](=O)[O-])cc1OC(C)C	261494399	WNNLMEOYTFJIIG-UHFFFAOYSA-N	259.689	3.434	5	50	CGBA	
Cc1ccc2ncnc(NCc3cccc([N+](=O)[O-])c3)c2c1	170596183	RRLKWTWPOKGFBD-UHFFFAOYSA-N	294.314	3.459	5	50	CGBA	
COc1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2)cc1	286131	RBEXSHMZPHLMFD-MRXNPFEDSA-N	297.314	3.042	5	50	CGBA	
CC[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1	271392	PJMHKAXZMPCQNC-OAHLLOKOSA-N	298.342	3.346	5	50	CGBA	
CC1CCC(C)(NC(=O)c2csc([N+](=O)[O-])c2)CC1	408156693	AXLFBVHWVKHGNG-UHFFFAOYSA-N	282.365	3.355	5	50	CGBA	
COc1ccccc1NCc1ccc([N+](=O)[O-])s1	279941	NOUMACRHVJYYLO-UHFFFAOYSA-N	264.306	3.277	5	50	CGBA	
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc2ccccc2n1	5257462	DHDGLTJOCMHBJD-UHFFFAOYSA-N	293.282	3.395	5	50	CGBA	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl	291954	NTZWIUKHSSDWMV-UHFFFAOYSA-N	290.706	3.429	5	50	CGBA	
O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1ccccc1	295378	NZIIZXLAGCTAMA-UHFFFAOYSA-N	267.240	3.368	5	50	CGBA	
Cc1cc(Br)c(Cl)c([N+](=O)[O-])c1	67796551	AHQZTSMMQGYNOL-UHFFFAOYSA-N	250.479	3.319	5	50	CGBA	
COc1ccc(CNc2cc([N+](=O)[O-])ccc2OC)cc1	436884	XOVQSSJNIYOMAY-UHFFFAOYSA-N	288.303	3.224	5	50	CGBA	
COc1ccc2oc3nc(=O)c4ccccc4c-3cc2c1	1061806	UZMMOBVRBHWZSX-UHFFFAOYSA-N	277.279	3.455	5	50	CGBA	
Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1C	281549	RFVZGJLLTCRICK-UHFFFAOYSA-N	271.272	3.431	5	50	CGBA	
COc1ccc(-c2ccccc2[N+](=O)[O-])cc1C=O	220196154	XQJWGUPTQHFICY-UHFFFAOYSA-N	257.245	3.083	5	50	CGBA	
CCC(CC)NC(=O)c1ccc([N+](=O)[O-])cc1Cl	456389	XSCOWNVFPXTDEQ-UHFFFAOYSA-N	270.716	3.167	5	50	CGBA	
O=[N+]([O-])c1ccccc1-c1nc(-c2ccccc2)no1	4344127	NQGTYJDQRUFQJW-UHFFFAOYSA-N	267.244	3.312	5	50	CGBA	
Cc1cccc(C(=O)Nc2cc(F)cc(F)c2)c1[N+](=O)[O-]	4814537	SVOVKKLAIIYFDV-UHFFFAOYSA-N	292.241	3.434	5	50	CGBA	
Cc1cc(C)nc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1	8548803	JPSPVKDNWOQQHS-VMPITWQZSA-N	297.314	3.259	5	50	CGBA	
O=[N+]([O-])c1cccc(Oc2ccc(F)cc2[N+](=O)[O-])c1	25371552	MJMHBOCPUAQPGS-UHFFFAOYSA-N	278.195	3.434	5	50	CGBA	
O=[N+]([O-])c1cc(Br)c(C(F)(F)F)cc1O	218220222	INASGCATEGHAOQ-UHFFFAOYSA-N	286.003	3.082	5	50	CGBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c2cc(-c3ccco3)[nH]c2c1	5770427	LZKCRXNJESWKHY-UHFFFAOYSA-N	273.204	3.244	5	50	CGBA	
O=[N+]([O-])c1cccc(OC(F)F)c1OC(F)(F)F	263624664	SLSHUPCZXPXTCY-UHFFFAOYSA-N	273.113	3.095	5	50	CGBA	
CC(C)C(NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(C)C	454211	AJNCPLSSASEXHP-CMDGGOBGSA-N	290.363	3.405	5	50	CGBA	
CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1	272228	MBJRKEYAGRQJQH-UHFFFAOYSA-N	260.249	3.003	5	50	CGBA	
Cc1c(Cl)ccc(Br)c1[N+](=O)[O-]	36532852	RDBOWXCEEGEMBL-UHFFFAOYSA-N	250.479	3.319	5	50	CGBA	
COc1cc(SC(C)C)c(OC)cc1C[C@@H](C)[N+](=O)[O-]	261508396	RXXBKDSFQAKEHB-SNVBAGLBSA-N	299.392	3.412	5	50	CGBA	
COc1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])cc1	3958793	HNOXMXZRIMDSIC-DHZHZOJOSA-N	298.298	3.255	5	50	CGBA	biogenic
O=[N+]([O-])c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1	4522652	MTWHRQTUBOTQTE-UHFFFAOYSA-N	259.221	3.247	5	50	CGBA	in-vitro
C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	103195	TYMCJGBVKJRKCM-LLVKDONJSA-N	270.288	3.086	5	50	CGBA	in-vitro
O=Cc1c(Cl)cc(Cl)c([N+](=O)[O-])c1Cl	2325904061	QDLPYSSREIUKCE-UHFFFAOYSA-N	254.456	3.368	5	50	CGBA	
CCCOc1c(Cl)cc([N+](=O)[O-])cc1OCC	261494011	NYYBLMQYGVLOQG-UHFFFAOYSA-N	259.689	3.436	5	50	CGBA	
O=Cc1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1	1392277	RINTXUSUROIDBP-UHFFFAOYSA-N	279.198	3.478	5	50	CGBA	in-vitro
Cc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)o1	4394042	GFBWPXRSDAIGHX-SOFGYWHQSA-N	286.287	3.457	5	50	CGBA	
Cc1cccc(Nc2ccc3nonc3c2[N+](=O)[O-])c1C	4116754	YZVLCOPUMSLHAR-UHFFFAOYSA-N	284.275	3.491	5	50	CGBA	
O=[N+]([O-])c1ccc2c(c1)oc1ccc([N+](=O)[O-])cc12	4416807	VVSJARSODDEAAL-UHFFFAOYSA-N	258.189	3.402	5	50	CGBA	
Cc1cc2cc3ccc(N(C)C)cc3nc2cc1N	4366415	NQRLWRODNCDUHY-UHFFFAOYSA-N	251.333	3.345	5	50	CGBA	in-vitro
O=c1oc2ccccc2c2nc3ccc(O)cc3cc12	2080385566	QBZVAVQHCDLKND-UHFFFAOYSA-N	263.252	3.200	5	50	CGBA	
O=C(O)Cc1c2ccccc2c(CC(=O)O)c2ccccc12	393152	BBDHEBFBEPYAMC-UHFFFAOYSA-N	294.306	3.247	5	50	CGBA	
C[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1	4988352	JEORQQLXFZZLLJ-OQHXTRMZSA-N	260.337	3.340	5	50	CGBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	101573466	MEZYRGRFFFACLP-NUZBWSBOSA-N	286.331	3.134	5	50	CGBA	
Cc1csc(NC(=O)Nc2ccccc2[N+](=O)[O-])n1	5013861	LQYSRVCLRUOTQB-UHFFFAOYSA-N	278.293	3.004	5	50	CGBA	
O=[N+]([O-])c1ccc2cc(I)ccc2c1	5428876	HOSUDLAAQNPVAC-UHFFFAOYSA-N	299.067	3.353	5	50	CGBA	
CCOC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)oc1C	113370	JAHZJSHMYFDWKD-UHFFFAOYSA-N	275.260	3.340	5	50	CGBA	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	466892	NBIPXZQCHARQKV-UHFFFAOYSA-N	275.235	3.091	5	50	CGBA	
O=[N+]([O-])c1cccc(SCCO[C@@H]2CCCCO2)c1	252487897	IDNBNPKHMLVHNO-CYBMUJFWSA-N	283.349	3.230	5	50	CGBA	
C[C@H]1CCc2oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3c2C1	3618928	XXLRWLHAWPLBOA-ZETCQYMHSA-N	276.248	3.374	5	50	CGBA	
O=[N+]([O-])c1cc(Br)cc(F)c1Br	263624219	OKYXXFZQDSEMOG-UHFFFAOYSA-N	298.893	3.259	5	50	CGBA	
Cc1nc(N2CC(C)(C)[C@@H]2c2ccccc2)ncc1[N+](=O)[O-]	952887511	QTGFWFFBMKURBQ-AWEZNQCLSA-N	298.346	3.281	5	50	CGBA	
Cc1cc(C)nc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1	610521	AWTCGNGGPJQEDB-UHFFFAOYSA-N	286.291	3.251	5	50	CGBA	
CCCCC(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12	253389769	AOILQXDETFRWHF-ZMSDIMECSA-N	268.421	3.129	5	50	CGBA	biogenic
O=[N+]([O-])c1ccc(Cc2nc3ccccc3[nH]2)cc1	254802	GDPNXLZOMJULAA-UHFFFAOYSA-N	253.261	3.062	5	50	CGBA	
Cc1ccccc1C(=O)N(C)c1cccc([N+](=O)[O-])c1	467366	JRPMWBMANQQBHD-UHFFFAOYSA-N	270.288	3.180	5	50	CGBA	
CCC(CC)C(=O)Nc1ccc([N+](=O)[O-])cc1C	4614090	PIZMHVXAIYKFFM-UHFFFAOYSA-N	250.298	3.278	5	50	CGBA	
Cc1cc2nccc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2n1	1403933	YPPJYLAKEAKYPC-UHFFFAOYSA-N	288.694	3.266	5	50	CGBA	
O=C(c1ccccc1)c1noc(-c2ccccc2)c1[N+](=O)[O-]	34581408	PGIBWNZFZHJBIF-UHFFFAOYSA-N	294.266	3.481	5	50	CGBA	
CC(C)Oc1ccc([N+](=O)[O-])cc1Br	40571694	SDYLUPCVAIKGTR-UHFFFAOYSA-N	260.087	3.145	5	50	CGBA	in-vitro
CCOc1ccc(-c2ccc(C=O)o2)c([N+](=O)[O-])c1	310834	FEOHVFLYDSZEIO-UHFFFAOYSA-N	261.233	3.066	5	50	CGBA	
CC(=O)Oc1c2ccccc2cc2c(O)ccc(O)c12	401300	NDAGZRMDFJYPLO-UHFFFAOYSA-N	268.268	3.330	5	50	CGBA	
O=[N+]([O-])c1cc(-c2ccc3n[nH]cc3c2)ccc1F	1875340362	XLFNZJLNQOIUCD-UHFFFAOYSA-N	257.224	3.277	5	50	CGBA	
O=[N+]([O-])[C@]1(Br)CCC[C@@H](C(F)(F)F)C1	958528117	JUZVZGCZILIHFA-PHDIDXHHSA-N	276.052	3.107	5	50	CGBA	
C[C@H]1CCCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1	444324	HAOPOICZXWUGKS-BCPZQOPPSA-N	274.320	3.009	5	50	CGBA	
O=[N+]([O-])c1ncc(Br)cc1Nc1ccccc1	3880506	ZRHTXLITAPBRDP-UHFFFAOYSA-N	294.108	3.496	5	50	CGBA	
COc1ccc2nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3cc2c1	4548830	CRYJVOJYFUOYSC-UHFFFAOYSA-N	299.242	3.213	5	50	CGBA	
CCN(CC)CCCCCOc1ccccc1[N+](=O)[O-]	3106095	FJIFQIZDGSSUKR-UHFFFAOYSA-N	280.368	3.486	5	50	CGBA	
O=C(NCc1cccs1)c1cc([N+](=O)[O-])ccc1Cl	376476	NAGRBGSZEKYLBB-UHFFFAOYSA-N	296.735	3.240	5	50	CGBA	
O=[N+]([O-])c1ccccc1OCCCCCN1CCCC1	4949932	WIYGFHJNYKJPLX-UHFFFAOYSA-N	278.352	3.240	5	50	CGBA	
Nc1nc2c(c3c1c(=O)oc1ccccc13)CCCCC2	95299521	URYXWVRUZMNEGT-UHFFFAOYSA-N	280.327	3.192	5	50	CGBA	
Cc1ccc(NC(=O)/C=C/c2ccco2)c([N+](=O)[O-])c1	4113350	FTUDQLWTMQASFO-FNORWQNLSA-N	272.260	3.148	5	50	CGBA	
O=[N+]([O-])c1cc(Cl)c(Cl)c([N+](=O)[O-])c1Cl	1680815	OFMRACCIIIDSDN-UHFFFAOYSA-N	271.443	3.463	5	50	CGBA	
COc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1	2885350	BQNYJZZAKQEAKW-UHFFFAOYSA-N	297.270	3.320	5	50	CGBA	
C[n+]1c(CCc2ccc([N+](=O)[O-])cc2)sc2ccccc21	5677345	JEFWAWKPHOIRKF-UHFFFAOYSA-N	299.375	3.419	5	50	CGBA	
C[C@H]1c2c(oc3ccc([N+](=O)[O-])cc23)[C@H](C)CN1C	12436517	HAPQZJBJBJVMIZ-BDAKNGLRSA-N	260.293	3.451	5	50	CGBA	
O=C(OCc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1	273449	VGUGWQJGNCOQTG-UHFFFAOYSA-N	293.225	3.230	5	50	CGBA	
O=[N+]([O-])c1cnn(Cc2ccc(Cl)cc2Cl)c1	975956	KUBADIKEHIPJFX-UHFFFAOYSA-N	272.091	3.146	5	50	CGBA	
O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)cc1	79031922	WJJHUDGNZZYWHQ-UHFFFAOYSA-N	274.242	3.374	5	50	CGBA	
Cc1ccc([N+](=O)[O-])c(Br)c1OC(F)F	263622776	AVQOAAQXEAXVER-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
C[C@]1(c2ccccc2)[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]21	229923481	NNEFSNCOOGBWSC-DJIMGWMZSA-N	294.310	3.285	5	50	CGBA	
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)c([N+](=O)[O-])c1	101222401	DKYTXMDJYMJAGI-HOTUBEGUSA-N	294.738	3.167	5	50	CGBA	
Cc1cncnc1/C=C/c1ccc([N+](=O)[O-])c(OC2CC2)c1	2325777257	PJTATQHXBKSFTB-QHHAFSJGSA-N	297.314	3.405	5	50	CGBA	
O=[N+]([O-])c1ccc(OCc2ccccn2)c(Cl)c1	12549469	GWYKHOLLVPAQFF-UHFFFAOYSA-N	264.668	3.222	5	50	CGBA	in-vitro
C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1	12417498	LJVWVOJPPPDGSV-AOOOYVTPSA-N	296.754	3.366	5	50	CGBA	
COc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	343848	XGVAEAVGTOZSNS-UHFFFAOYSA-N	259.261	3.182	5	50	CGBA	in-vitro
Cc1nc(N2CC(C)(C)[C@H]2c2ccccc2)ncc1[N+](=O)[O-]	952887518	QTGFWFFBMKURBQ-CQSZACIVSA-N	298.346	3.281	5	50	CGBA	
C[C@@H]1CC[C@H](/C=C/Nc2cccc([N+](=O)[O-])c2)C1=O	1776111265	KFFHBUCWFMCQMS-QSNNZYTBSA-N	260.293	3.136	5	50	CGBA	
CO[C@H](C)c1sc([N+](=O)[O-])cc1Br	336307	ZTTRXEZAPGJHJO-SCSAIBSYSA-N	266.116	3.126	5	50	CGBA	
CC(=O)Nc1ccc(/C=C/c2ccc(N)cc2[N+](=O)[O-])cc1	71771398	ZNYWAXOKXSRFIT-GORDUTHDSA-N	297.314	3.306	5	50	CGBA	
C[C@H]1C[C@@H](C)CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1	12465162	VFIFRHCLZDRSDO-LZGDYBNZSA-N	288.347	3.113	5	50	CGBA	
COc1ccc(NCc2ccc([N+](=O)[O-])s2)c(OC)c1	279589	BSQFSNSWBWQLBI-UHFFFAOYSA-N	294.332	3.286	5	50	CGBA	
COc1ccccc1OCc1ccc([N+](=O)[O-])cc1	2173449	CNOFSCQPSLGPTR-UHFFFAOYSA-N	259.261	3.182	5	50	CGBA	
Cc1cc(Cl)c(OC(=O)OC(C)C)c([N+](=O)[O-])c1	25539341	UASBYMYEXPYHEJ-UHFFFAOYSA-N	273.672	3.480	5	50	CGBA	
CCOC(=O)c1csc(-c2ccc([N+](=O)[O-])c(C)c2)n1	45028233	FRVKGVRXBYELOQ-UHFFFAOYSA-N	292.316	3.203	5	50	CGBA	
CC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl	16158159	BKFPAPKXZJFNNF-UHFFFAOYSA-N	252.028	3.243	5	50	CGBA	
CCCCOc1ncc(C(F)(F)F)cc1[N+](=O)[O-]	261494164	RICOTDOSTKGFGI-UHFFFAOYSA-N	264.203	3.188	5	50	CGBA	
CC(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	442311	HCAWJRCOXSIDBG-UHFFFAOYSA-N	270.716	3.024	5	50	CGBA	
O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-]	4173279	NXGFARUEKCUGRU-JXMROGBWSA-N	286.262	3.386	5	50	CGBA	
Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1F	38911	DMIQLUQEGITFHE-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C)c1	38695	IKOFBRRYLUAAGK-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
CC(C)(C)OC(=O)n1ncc2c([N+](=O)[O-])c(Cl)ccc21	1775977097	WEEUBCOVVCSEQT-UHFFFAOYSA-N	297.698	3.381	5	50	CGBA	
Cc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1C	3879023	KXTITKVWDRENOT-UHFFFAOYSA-N	284.275	3.491	5	50	CGBA	
Cc1c(C(=O)N2CCc3ccccc32)cccc1[N+](=O)[O-]	38984	PIOVCYVJROBMMF-UHFFFAOYSA-N	282.299	3.106	5	50	CGBA	
Cc1nc(N2CCC[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-]	178006444	SFTPWQMOZLMXPD-SECBINFHSA-N	289.257	3.077	5	50	CGBA	
C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccon1	353267209	PFAFHJCJNVBPHH-LURJTMIESA-N	269.207	3.034	5	50	CGBA	
C[C@H](C(=O)NCCc1ccccc1)c1ccc([N+](=O)[O-])cc1	471337	RNQDJGLQALWBSA-ZDUSSCGKSA-N	298.342	3.057	5	50	CGBA	
O=[N+]([O-])c1ccn(Cc2cccc(Cl)c2Cl)n1	4810765	MEYJJUWIDXNXCK-UHFFFAOYSA-N	272.091	3.146	5	50	CGBA	
CSc1nsc(SCc2ccc([N+](=O)[O-])cc2)n1	4866565	IHKXJIWNJLAEQT-UHFFFAOYSA-N	299.402	3.461	5	50	CGBA	
O=c1cc(-c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1	8691857	DDYDZJBDILAXQQ-UHFFFAOYSA-N	293.282	3.012	5	50	CGBA	
CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])cc1F	83502401	ISUVTQPDPBJTCK-UHFFFAOYSA-N	256.233	3.081	5	50	CGBA	
Cc1ccc(C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	456993	ZOQMJNOFVRAQFY-UHFFFAOYSA-N	255.273	3.443	5	50	CGBA	
O=C(Nc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cn1	4881535	AROAZMSXSUAHBA-UHFFFAOYSA-N	292.682	3.287	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1NC1CCCCC1	295100	JMQJUZRDUVUYKB-UHFFFAOYSA-N	250.298	3.348	5	50	CGBA	
CCCOc1cc([N+](=O)[O-])cc(Cl)c1OCC	261493780	JBACJKKVCPJMLF-UHFFFAOYSA-N	259.689	3.436	5	50	CGBA	
Cc1cc(Br)c(Br)c([N+](=O)[O-])c1	32299601	XTMGEWKAQQAYST-UHFFFAOYSA-N	294.930	3.428	5	50	CGBA	
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)c1ccccc1	150557	VZDUQPHKUBZMLW-UHFFFAOYSA-N	297.719	3.081	5	50	CGBA	in-vitro
CCC(CC)C(=O)Nc1cccc([N+](=O)[O-])c1C	466719	GOVZVCOVXGIUGV-UHFFFAOYSA-N	250.298	3.278	5	50	CGBA	
Cc1ccc2ncnc(NCc3ccc([N+](=O)[O-])cc3)c2c1	170638388	BCFJWPZHUCKQOO-UHFFFAOYSA-N	294.314	3.459	5	50	CGBA	
CCc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1	38616	HEXJNSZLXBPWDD-UHFFFAOYSA-N	271.272	3.376	5	50	CGBA	
Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	463857	RVTVQFKVNUNQKU-UHFFFAOYSA-N	288.278	3.224	5	50	CGBA	
CC(=O)N1Cc2cc([N+](=O)[O-])ccc2Oc2ccccc21	4108408	CGZHSLYTYIXHQY-UHFFFAOYSA-N	284.271	3.254	5	50	CGBA	
C[C@H](Nc1ncc(Cl)cn1)c1cccc([N+](=O)[O-])c1	175038178	GOBXSKJTSPFTGU-QMMMGPOBSA-N	278.699	3.211	5	50	CGBA	
Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1Cl	334161325	YXRAPDXAQOFVCC-UHFFFAOYSA-N	278.695	3.409	5	50	CGBA	
O=C(O)C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1	97756620	GHWOVLOGJKKXIL-ZDUSSCGKSA-N	286.287	3.223	5	50	CGBA	
Cc1cc([N+](=O)[O-])cc(N)c1OCc1ccccc1	584904543	XUKIRHDZTIRJGX-UHFFFAOYSA-N	258.277	3.064	5	50	CGBA	
CCC(CC)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	455672	UZUGBLCKAIKTNP-UHFFFAOYSA-N	270.716	3.167	5	50	CGBA	
O=Cc1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1	2578429	FERBOZBUTUXYOD-UHFFFAOYSA-N	281.651	3.233	5	50	CGBA	
C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2CC[C@H]1C2	101705082	RMHAGYCHBZKSPN-MNXVOIDGSA-N	288.347	3.149	5	50	CGBA	
N=c1ccc2nc3c(cc(N)c4ccccc43)oc-2c1	35024431	QSFBNJFFCSWAQO-UHFFFAOYSA-N	261.284	3.147	5	50	CGBA	
O=C1C=C(c2ccccc2)O[C@H](c2ccc([N+](=O)[O-])cc2)O1	198512	CHBLUVKTBZQHOW-INIZCTEOSA-N	297.266	3.208	5	50	CGBA	
O=C(Nc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])o1	557736	WILYKJXNRSBHHG-UHFFFAOYSA-N	298.201	3.042	5	50	CGBA	
Cc1c(-c2nc(-c3cccnc3)no2)cccc1[N+](=O)[O-]	70401	IYCCSRIBQWGOIO-UHFFFAOYSA-N	282.259	3.015	5	50	CGBA	
Cc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])o2)c1	214950	GFJDXNWQDZTNLU-UHFFFAOYSA-N	260.249	3.057	5	50	CGBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F	4010109	KPUOTLVWJHMQEX-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
CCc1noc(C)c1C(=O)Nc1ccc([N+](=O)[O-])cc1C	4749951	UJRPGRPBOVKZGC-UHFFFAOYSA-N	289.291	3.014	5	50	CGBA	
Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-]	240634	BQJMBPICOUAQIW-LBPRGKRZSA-N	284.315	3.394	5	50	CGBA	
O=[N+]([O-])c1ncccc1OCc1sccc1Cl	253417300	YPDLKAIVACMTHS-UHFFFAOYSA-N	270.697	3.284	5	50	CGBA	
Cc1cc(Cl)c([N+](=O)[O-])cc1Br	87493324	GFKQJMLNMYPKNC-UHFFFAOYSA-N	250.479	3.319	5	50	CGBA	in-vitro
C[C@@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	5528786	UZSLZEQAGCDBPI-LLVKDONJSA-N	286.287	3.001	5	50	CGBA	
COc1ccc(C(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-]	155727	BBKNLCMVMVDRJA-UHFFFAOYSA-N	291.690	3.488	5	50	CGBA	
CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1C	271930	RXGXZEAOSOCXLI-UHFFFAOYSA-N	274.276	3.163	5	50	CGBA	
O=[N+]([O-])c1cccc(NC(=S)N2CCc3ccccc32)c1	7098143	SBIZQOZXGANICG-UHFFFAOYSA-N	299.355	3.354	5	50	CGBA	
Cc1occc1-c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	291583	RVOLCLXFGFOVQF-UHFFFAOYSA-N	271.232	3.213	5	50	CGBA	
O=C(CCOc1ccccc1)Nc1ccccc1[N+](=O)[O-]	4036896	YLMWLGRADJGMMS-UHFFFAOYSA-N	286.287	3.002	5	50	CGBA	
CCOC(=O)c1sc(-c2ccc([N+](=O)[O-])cc2)cc1N	37337699	LUFNXFXZMZYAKC-UHFFFAOYSA-N	292.316	3.082	5	50	CGBA	
Cc1ccc2ccc(Br)c([N+](=O)[O-])c2n1	936069153	NKPDZCFDMLAHBI-UHFFFAOYSA-N	267.082	3.214	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCC[C@@H]1C	4856342	AZGRRMFLIVWBTP-FZMZJTMJSA-N	278.352	3.272	5	50	CGBA	
CCCc1nn(C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-]	4107407	RMXYYLKWHVMGCE-UHFFFAOYSA-N	293.710	3.086	5	50	CGBA	
O=[N+]([O-])c1c(Br)cc(F)cc1Br	4772696	NHVNREXXMPLVQB-UHFFFAOYSA-N	298.893	3.259	5	50	CGBA	
O=[N+]([O-])c1cc(F)cc(OC(F)F)c1Br	263625011	WAIQIMRCJMLQQT-UHFFFAOYSA-N	286.003	3.098	5	50	CGBA	
O=[N+]([O-])c1ccccc1CCNc1ncnc2ccccc12	170642982	KOVZLBAPWXWQFO-UHFFFAOYSA-N	294.314	3.193	5	50	CGBA	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2n1	243305	ZTJHZHUSOHTFMM-UHFFFAOYSA-N	293.282	3.395	5	50	CGBA	
Cc1ccc2c(NC(=O)c3ccc([N+](=O)[O-])o3)cccc2n1	4841280	XNNIHURHIRDRQZ-UHFFFAOYSA-N	297.270	3.297	5	50	CGBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F	4855894	QCPUKZYDNYDEGC-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
O=[N+]([O-])c1ccc(N2CCCC2)cc1NCc1ccco1	4104318	XKALFWXLPPPRIT-UHFFFAOYSA-N	287.319	3.400	5	50	CGBA	
CN1C2=CCC[C@H](CC[N+](C)(C)C)[C@H]1CCCC2	104277568	OMBLMIDOBXNZNL-GDBMZVCRSA-N	251.438	3.251	5	50	CGBA	
O=[N+]([O-])c1ccc(OCCCCN2CCCCC2)cc1	2494205	IHLXQLQHIBFBOT-UHFFFAOYSA-N	278.352	3.240	5	50	CGBA	
O=c1oc(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc12	3899911	XBYFGHMONVRUBR-CMDGGOBGSA-N	294.266	3.267	5	50	CGBA	
Cc1cc(C)nc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	6201275	OGYIYHSCNFMQTH-VOTSOKGWSA-N	297.314	3.259	5	50	CGBA	
Cc1c(-c2nc(-c3ccccn3)no2)cccc1[N+](=O)[O-]	447443	ILFCAZQXRSGQSW-UHFFFAOYSA-N	282.259	3.015	5	50	CGBA	
CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-]	4808445	SMPVUZALGRIQMU-CQSZACIVSA-N	298.342	3.346	5	50	CGBA	
Cc1cc([N+](=O)[O-])c(F)c(Br)c1Cl	96024827	ZLFIDYZRFMJPJT-UHFFFAOYSA-N	268.469	3.458	5	50	CGBA	
C[C@H](O)c1nc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1	292941	YWGFIZCUHQCIRP-NSHDSACASA-N	297.314	3.046	5	50	CGBA	
CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	469078	HCSINTIMIITTQC-UHFFFAOYSA-N	270.288	3.410	5	50	CGBA	
CC(=O)Nc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1	471863	UTCCZNFVURIWFB-UHFFFAOYSA-N	286.287	3.132	5	50	CGBA	
O=[N+]([O-])c1cccc2c(Br)ccc([N+](=O)[O-])c12	2187149	AKXJGGFSIKWOTR-UHFFFAOYSA-N	297.064	3.419	5	50	CGBA	
C[C@@H](O)Cn1c2nc3ccccc3c-2nc2ccccc21	409417380	FONHEMQFRCXKFJ-LLVKDONJSA-N	277.327	3.070	5	50	CGBA	
O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CCCCCC1	466507	ABJAOHWOVZKYLD-VAWYXSNFSA-N	288.347	3.447	5	50	CGBA	
O=c1cc(-c2ccccc2[N+](=O)[O-])oc2ccccc12	265037	CLWQBDUHBCAEBV-UHFFFAOYSA-N	267.240	3.368	5	50	CGBA	
CCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	103264	ATDFHULEMXNOSD-UHFFFAOYSA-N	286.287	3.246	5	50	CGBA	
CC(=O)c1cc2c(=O)c3cc(C)ccc3oc2nc1C	154526	XUDCPGKZAWCMIA-UHFFFAOYSA-N	267.284	3.161	5	50	CGBA	
Cc1ccc([N+](=O)[O-])c(OCCN2CCCCCC2)c1	4985783	BUTMLLMFIQVESW-UHFFFAOYSA-N	278.352	3.158	5	50	CGBA	
CCOc1cccc(Nc2ccc([N+](=O)[O-])cn2)c1	4091997	BDSJUNAVBMUSQD-UHFFFAOYSA-N	259.265	3.132	5	50	CGBA	
O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]1c1ccncc1	270979846	VJFQHTGYFNTZSJ-CYBMUJFWSA-N	287.294	3.470	5	50	CGBA	
Cc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-]	102146	YQVFNVMYAHQUOB-QWRGUYRKSA-N	276.336	3.021	5	50	CGBA	
CC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1ccccc12	500418	NTCZZFLTUKWCHE-NSHDSACASA-N	282.295	3.303	5	50	CGBA	
O=[N+]([O-])c1cc(OC(F)F)c(F)cc1Br	263623789	KSCNYVTXGFTRPX-UHFFFAOYSA-N	286.003	3.098	5	50	CGBA	
O=[N+]([O-])c1c(OC(F)F)cccc1OC(F)(F)F	263623576	IQKCCDOFWXUKQU-UHFFFAOYSA-N	273.113	3.095	5	50	CGBA	
O=[N+]([O-])c1cc(C2CCCCC2)ccc1OC[C@H]1CO1	155485	INZCNOKFEIDSKJ-CYBMUJFWSA-N	277.320	3.420	5	50	CGBA	
O=C(NCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl	299923	XHNKHLNFCWPFLM-UHFFFAOYSA-N	290.706	3.178	5	50	CGBA	
Cc1cc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C	330823	XQRKNGSNEAKMNJ-UHFFFAOYSA-N	286.287	3.170	5	50	CGBA	
COC(=O)c1ccc(Oc2cccc(C)c2)c([N+](=O)[O-])c1	1402010	PWZZDLDYPIPOMJ-UHFFFAOYSA-N	287.271	3.482	5	50	CGBA	
O=[N+]([O-])c1ccc(Br)cc1OCC1CC1	575442761	XCFJZMQCHFSHGI-UHFFFAOYSA-N	272.098	3.146	5	50	CGBA	
Cc1cc(OCCN2CCC(C)CC2)ccc1[N+](=O)[O-]	4845236	SGBPXTUKQRBJRD-UHFFFAOYSA-N	278.352	3.014	5	50	CGBA	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1	290701	XXBZDDVTRHYVKR-XCVCLJGOSA-N	286.262	3.386	5	50	CGBA	
COC(=O)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1	5702656	KRQZZFXYCIRVSB-UHFFFAOYSA-N	273.244	3.174	5	50	CGBA	
CN1CCC(Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1	383504699	BZUUFFKZTPHQJL-UHFFFAOYSA-N	285.294	3.039	5	50	CGBA	
Cc1ncc([N+](=O)[O-])n1Cc1cccc2ccccc12	312790	BGJRFKGVBCKQRQ-UHFFFAOYSA-N	267.288	3.301	5	50	CGBA	
CN1[C@H]2CCCC[C@H]1[C@H](CC[N+](C)(C)C)CCC2	216341219	RPCGKTNVLRSHRQ-JYJNAYRXSA-N	253.454	3.126	5	50	CGBA	
CC(=O)c1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1	3879043	FPGJGQCKQCJWBV-UHFFFAOYSA-N	298.258	3.077	5	50	CGBA	
CCOC(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	263624572	RRIMSBWZIYFIBA-UHFFFAOYSA-N	264.064	3.078	5	50	CGBA	
CCOc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1	433578	NQOSUNSXUVXEAY-UHFFFAOYSA-N	271.272	3.225	5	50	CGBA	
Cc1c(I)cc(Cl)cc1[N+](=O)[O-]	14985659	MNRZNGSAWDQNSN-UHFFFAOYSA-N	297.479	3.161	5	50	CGBA	
COc1ccc(-c2cnc3ccccc3n2)cc1[N+](=O)[O-]	555917	AXLDXKIQKVUCPE-UHFFFAOYSA-N	281.271	3.214	5	50	CGBA	
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])Cc1ccccc1-2	4759505	UPMNEZPDVZWREZ-UHFFFAOYSA-N	268.272	3.124	5	50	CGBA	
C[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1	4988596	XRSWHNYXGSHRDF-JTQLQIEISA-N	268.744	3.480	5	50	CGBA	
CCc1csc([C@@H](C)Nc2nccc(C)c2[N+](=O)[O-])n1	585092432	WOZRWOICKQAJGF-SECBINFHSA-N	292.364	3.490	5	50	CGBA	
O=[N+]([O-])c1cc(Cl)c(F)cc1Br	67796573	IBPDXAYILRNZRH-UHFFFAOYSA-N	254.442	3.150	5	50	CGBA	in-vitro
Cc1ccc(-c2cc(C(=O)O)cc([N+](=O)[O-])c2)cc1	77031942	FXYMLBWUVKFDCI-UHFFFAOYSA-N	257.245	3.268	5	50	CGBA	in-vitro
O=[N+]([O-])c1ccc(-c2csc(N3CCCC3)n2)cc1	306758	VQDQXACGIFCWFU-UHFFFAOYSA-N	275.333	3.319	5	50	CGBA	
CCC[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	456137	AFFCTHJLKPOUMM-SECBINFHSA-N	250.298	3.278	5	50	CGBA	
Cc1cc([N+](=O)[O-])ccc1OC(F)(F)C(F)F	2563273	JHPMFMSCHNLTQM-UHFFFAOYSA-N	253.151	3.140	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1	17433521	XJIPBORERCFIIP-UHFFFAOYSA-N	284.231	3.046	5	50	CGBA	
O=[N+]([O-])c1ccc(Nc2cccc(F)c2)c2nonc12	4362017	RYXAMQTVUXZYLO-UHFFFAOYSA-N	274.211	3.014	5	50	CGBA	
COc1ccc(OC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	149021	SGSDBPYQMYGSBG-UHFFFAOYSA-N	287.271	3.131	5	50	CGBA	
Cn1ccnc1Sc1ccc([N+](=O)[O-])cc1Cl	457054	LPJDVAQMVBVEKB-UHFFFAOYSA-N	269.713	3.133	5	50	CGBA	
COc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	438940	FHFMVOINLAKJIR-NYYWCZLTSA-N	298.298	3.255	5	50	CGBA	
CO[C@@H](C)c1sc([N+](=O)[O-])cc1Br	336306	ZTTRXEZAPGJHJO-BYPYZUCNSA-N	266.116	3.126	5	50	CGBA	
C[C@@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1	300681	FWMDTGBFOQCZFU-SECBINFHSA-N	282.727	3.120	5	50	CGBA	
COc1ccc(/C=C2\Oc3ccccc3[C@H]2O)cc1[N+](=O)[O-]	4833736	KINKBFVJZAVRGT-QOBZYLRHSA-N	299.282	3.070	5	50	CGBA	
CCOC(OCC)c1cc([N+](=O)[O-])ccc1Cl	196445291	JFLYMTLKDYMKRQ-UHFFFAOYSA-N	259.689	3.320	5	50	CGBA	
CN(CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1	16663024	GDHUXFNPJGKJSB-UHFFFAOYSA-N	270.332	3.269	5	50	CGBA	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H]1CCCO1	3880632	VZNCLUWURSSLNS-VIFPVBQESA-N	290.241	3.205	5	50	CGBA	
CC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	68124	CILHGCKMLIYRIB-UHFFFAOYSA-N	298.298	3.358	5	50	CGBA	
Cc1ccc([N+](=O)[O-])c(OCCCN2CCCCC2)c1	4841364	JUTYNAYCERKWOR-UHFFFAOYSA-N	278.352	3.158	5	50	CGBA	
Cc1cc(Br)c([N+](=O)[O-])c(OC(F)F)c1	263625247	YAPIGQGLBKODBJ-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
Cc1c([N+](=O)[O-])cc(Cl)c(Cl)c1[N+](=O)[O-]	34611993	BIHKGLGGTMRFRS-UHFFFAOYSA-N	251.025	3.118	5	50	CGBA	in-vitro
Cc1ccc(O)c(Nc2ncnc3ccc([N+](=O)[O-])cc23)c1	4342279	DOPVLNAHEALJNQ-UHFFFAOYSA-N	296.286	3.296	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2c(F)cccc2Cl)cn1	725269943	ASBHDGCDOBUYNX-UHFFFAOYSA-N	252.632	3.449	5	50	CGBA	
CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	237458	ISRMMVCZUINAHJ-UHFFFAOYSA-N	270.288	3.262	5	50	CGBA	
COc1ccccc1CNc1cccc([N+](=O)[O-])c1	4865835	ZECQYAOGPAEZJI-UHFFFAOYSA-N	258.277	3.216	5	50	CGBA	
CCc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1	4113401	BFXCINDOHSZSOY-UHFFFAOYSA-N	284.315	3.434	5	50	CGBA	
C[C@@H](C(=O)N1CCCCCC1)c1ccc([N+](=O)[O-])cc1	472188	SWSILUNMROCEHX-GFCCVEGCSA-N	276.336	3.101	5	50	CGBA	
COc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc1	43191277	HOVWGIGLFVKHLX-UHFFFAOYSA-N	287.271	3.131	5	50	CGBA	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CCCCC1	290711	JNSHNRHCOAADIC-DHZHZOJOSA-N	274.320	3.057	5	50	CGBA	
CCCOc1cc(NC)c([N+](=O)[O-])cc1Br	74934292	NYYVMSMXUAAYKO-UHFFFAOYSA-N	289.129	3.188	5	50	CGBA	in-vitro
CCc1ccc(OCc2cccc3ccnn23)c([N+](=O)[O-])c1	2325874335	IZELUCHLTOFDFW-UHFFFAOYSA-N	297.314	3.384	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1NCc1c(F)cccc1F	293242	MCLQTHVEDFPGPB-UHFFFAOYSA-N	294.257	3.494	5	50	CGBA	
O=[N+]([O-])c1cn(Cc2ccc(Cl)cc2Cl)cn1	4809676	DYYMMAYNIXXDBZ-UHFFFAOYSA-N	272.091	3.146	5	50	CGBA	
Cc1cc2c(C)c3cc(C)c(N)cc3nc2cc1N	4824703	DZOAERSZTDNTCO-UHFFFAOYSA-N	251.333	3.478	5	50	CGBA	
COc1ccc(Br)c([N+](=O)[O-])c1Cl	261493874	LDSTWCNYIZGVLA-UHFFFAOYSA-N	266.478	3.019	5	50	CGBA	
O=[N+]([O-])c1ccc(N[C@@H]2[C@H]3CCCC[C@H]32)c(F)c1	252670904	LZZRYCACMDIUSE-IWIIMEHWSA-N	250.273	3.334	5	50	CGBA	
CCc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1	271916	QULBNOHQPVXULW-UHFFFAOYSA-N	270.288	3.410	5	50	CGBA	
Cc1occc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	5093254	URBLSUJPFIUOND-UHFFFAOYSA-N	280.667	3.402	5	50	CGBA	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O	4578238	CTISUNSASAUMMA-UHFFFAOYSA-N	292.678	3.206	5	50	CGBA	in-vitro
O=[N+]([O-])c1cc(C2CCCCC2)ccc1OC[C@@H]1CO1	155487	INZCNOKFEIDSKJ-ZDUSSCGKSA-N	277.320	3.420	5	50	CGBA	
Cc1ccc(F)cc1NC(=O)c1ccccc1[N+](=O)[O-]	376315	KVQFEJAUPZFIGJ-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
Cc1cc([N+](=O)[O-])nn1Cc1cccc2ccccc12	1426781	CNCDOTFEGRPTNH-UHFFFAOYSA-N	267.288	3.301	5	50	CGBA	
CCSc1ncc(C(F)(F)F)cc1[N+](=O)[O-]	261493868	LBBFRFYBPXHKIR-UHFFFAOYSA-N	252.217	3.121	5	50	CGBA	
COc1ccc(C)cc1NC(=O)c1ccccc1[N+](=O)[O-]	436042	WXLVQZZDUMRLCQ-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(F)(F)F)c1	1059455	WNBCHMGMGMBDAU-UHFFFAOYSA-N	285.225	3.167	5	50	CGBA	
O=[N+]([O-])c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1	1677207	RLCAMJXZACQENP-UHFFFAOYSA-N	260.205	3.295	5	50	CGBA	
O=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	1693760	YYQMCEXJWQWUFK-UHFFFAOYSA-N	288.215	3.108	5	50	CGBA	
O=[N+]([O-])c1ccc2c(Cl)nc(C(F)(F)F)nc2c1	165741415	PFLNEWKOOGWSOU-UHFFFAOYSA-N	277.589	3.210	5	50	CGBA	
Cc1c(C(=O)OCc2ccccc2F)cccc1[N+](=O)[O-]	1075498	IPSGJEHDJUWSGF-UHFFFAOYSA-N	289.262	3.399	5	50	CGBA	
O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2ccncc2)cc1	125457277	OEMIQBNDBJLKLZ-INIZCTEOSA-N	283.331	3.327	5	50	CGBA	
O=C1C[C@@H]2c3cc([N+](=O)[O-])ccc3N[C@@H]2c2ccccc2N1	1775953737	NODLZSCZNWEUSM-MLGOLLRUSA-N	295.298	3.187	5	50	CGBA	
O=C(CC1=CCCCC1)Nc1cc([N+](=O)[O-])ccc1O	22590060	YHXFCIVHCBIJNA-UHFFFAOYSA-N	276.292	3.129	5	50	CGBA	
O=C(CCNc1ccccc1)c1ccc([N+](=O)[O-])cc1	244049	BJEAOSUTDGATSF-UHFFFAOYSA-N	270.288	3.280	5	50	CGBA	
COc1ccc(CNc2ccccc2[N+](=O)[O-])cc1OC	8149411	GNUZCONTOLKVBR-UHFFFAOYSA-N	288.303	3.224	5	50	CGBA	
Cc1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1	337291581	LXGJADMQPAFHJX-UHFFFAOYSA-N	297.723	3.265	5	50	CGBA	
O=[N+]([O-])c1cc(Cl)cnc1OCc1ccccc1	261494198	RSOIXEDEBANDAR-UHFFFAOYSA-N	264.668	3.222	5	50	CGBA	
COc1ccc2oc(-c3ccccc3[N+](=O)[O-])cc(=O)c2c1	181981	DUAIXDFVGWGRCM-UHFFFAOYSA-N	297.266	3.377	5	50	CGBA	biogenic
O=[N+]([O-])c1ccc(-c2nnc(-c3cccc(F)c3)o2)cc1	276079	LDQXNPAIDMCXEM-UHFFFAOYSA-N	285.234	3.451	5	50	CGBA	
O=[N+]([O-])c1ccc(CNc2ccc(F)cc2)s1	279786	OTKAUZNJVDGOEB-UHFFFAOYSA-N	252.270	3.408	5	50	CGBA	
O=C(Nc1cccc2cccnc12)c1cccc([N+](=O)[O-])c1	33019	IGPIXGIGDVQTEE-UHFFFAOYSA-N	293.282	3.395	5	50	CGBA	
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1	63662	HWKYGXKJOVLPDG-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
O=Cc1ccc(SCc2ccco2)c([N+](=O)[O-])c1	160630	XJZUTZDAIMVSAR-UHFFFAOYSA-N	263.274	3.293	5	50	CGBA	
COC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1F	85210153	ZSFNELXOSKFDSK-UHFFFAOYSA-N	275.235	3.188	5	50	CGBA	in-vitro
O=[N+]([O-])c1ccccc1-c1cc(-c2ccccc2O)n[nH]1	13130584	QZUSBOXKBMDUQQ-UHFFFAOYSA-N	281.271	3.358	5	50	CGBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccccc1	4673344	UMGOEORPARBPSA-JXMROGBWSA-N	298.298	3.255	5	50	CGBA	
O=[N+]([O-])c1cccc2cccc(I)c12	6884211	PKEGJUHTHZAHTQ-UHFFFAOYSA-N	299.067	3.353	5	50	CGBA	
CC(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1	464741	PRYHITQXOITDDF-UHFFFAOYSA-N	298.298	3.358	5	50	CGBA	
CCOC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1	95217928	BUSAGWGSTPOYTM-UHFFFAOYSA-N	251.282	3.069	5	50	CGBA	
O=[N+]([O-])c1ccc(CN2CCc3c([nH]c4ccccc34)C2)o1	6667388	PRIFTWHJDWLXRL-UHFFFAOYSA-N	297.314	3.227	5	50	CGBA	
COc1ccc(C(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-]	103387	BOESIOZYEXBVBP-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
COC(=O)c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	167788	VOPSYKKSSYANRA-UHFFFAOYSA-N	291.234	3.313	5	50	CGBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)cc1	302154	BYJWPWGVESKTLH-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
C[C@H](O)Cn1c2nc3ccccc3c-2nc2ccccc21	409417381	FONHEMQFRCXKFJ-NSHDSACASA-N	277.327	3.070	5	50	CGBA	
CCCSc1nc(Cl)c([N+](=O)[O-])c(Cl)n1	21298035	DDEDQHVHVPJFAC-UHFFFAOYSA-N	268.125	3.194	5	50	CGBA	in-vitro
O=C(/C=C/c1ccco1)Nc1ccc([N+](=O)[O-])cc1Cl	4542443	CSQGTADKDKYJBO-GQCTYLIASA-N	292.678	3.493	5	50	CGBA	
O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	1648211	MWAGUKZCDDRDCS-UHFFFAOYSA-N	260.205	3.295	5	50	CGBA	
C[C@H]1CN(C)[C@H](C)c2c1oc1ccc([N+](=O)[O-])cc21	33295783	HAPQZJBJBJVMIZ-DTWKUNHWSA-N	260.293	3.451	5	50	CGBA	
CC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1	5495834	IKJGWLUVRIGNDV-UHFFFAOYSA-N	284.271	3.050	5	50	CGBA	
C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	288703	FCSIYNVDXLKTKY-VIFPVBQESA-N	282.727	3.120	5	50	CGBA	
O=C(O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	57025	CLKWMKZOQGSSJH-UHFFFAOYSA-N	267.624	3.206	5	50	CGBA	
CC[C@H](C)Nc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]	4054659	FRTZHUYOLKQDSU-QMMMGPOBSA-N	253.258	3.022	5	50	CGBA	
O=[N+]([O-])c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1	3879128	TZKDSBWDHZOIIN-UHFFFAOYSA-N	287.275	3.158	5	50	CGBA	
CC(C)(C)OC(=O)N1CCc2cc([N+](=O)[O-])c(F)cc2C1	95093103	IVCDFWVDZIWGOZ-UHFFFAOYSA-N	296.298	3.027	5	50	CGBA	
COc1ccc(-c2cc([N+](=O)[O-])ccc2F)cc1C=O	725242447	GFOVGOFXRMBBOH-UHFFFAOYSA-N	275.235	3.222	5	50	CGBA	
O=[N+]([O-])c1ccc2[nH]cc(CN3CCCCCC3)c2c1	1852950	ABHQIYOUVFNBEC-UHFFFAOYSA-N	273.336	3.452	5	50	CGBA	
CCCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3877751	UTSYFOWTGKGGAG-UHFFFAOYSA-N	267.285	3.495	5	50	CGBA	
Cc1c(NC(=O)OC(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	95093405	YNDRBUAYGVFYTM-UHFFFAOYSA-N	297.267	3.158	5	50	CGBA	
COc1cccc(-c2cccc([N+](=O)[O-])c2)c1OC	725264264	STQXLHNEQUTNQC-UHFFFAOYSA-N	259.261	3.279	5	50	CGBA	
O=[N+]([O-])c1cc(O)c2cc(-c3ccccc3)[nH]c2c1	615372	IBDKPRFWZCJNMI-UHFFFAOYSA-N	254.245	3.449	5	50	CGBA	
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl	272540	PEXZPBDFOHSZOO-UHFFFAOYSA-N	280.667	3.402	5	50	CGBA	
CCN(c1ccccc1)c1c([N+](=O)[O-])ccc2nonc12	3904270	NFMGYXVKWUEPQY-UHFFFAOYSA-N	284.275	3.289	5	50	CGBA	
O=c1sc2ccccc2n1Cc1ccccc1[N+](=O)[O-]	6528718	TWKYMWHKMXRBCH-UHFFFAOYSA-N	286.312	3.020	5	50	CGBA	
COc1cc([C@H](C)NC2(C(C)C)CC2)cc([N+](=O)[O-])c1	2325827751	PJUOOCTXYWMPPT-NSHDSACASA-N	278.352	3.443	5	50	CGBA	
O=[N+]([O-])c1ccc2[nH]c3c([N+](=O)[O-])cccc3c2c1	2968278	MEFATMTVUAOEJH-UHFFFAOYSA-N	257.205	3.138	5	50	CGBA	
Cn1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc21	4727930	ZFQUETZXAJZYHH-UHFFFAOYSA-N	253.261	3.149	5	50	CGBA	
CC[C@@H]1CCCCN1Cc1cc(OC)c(O)c([N+](=O)[O-])c1	4987876	ONYCEDLEPFGXNN-GFCCVEGCSA-N	294.351	3.074	5	50	CGBA	
O=C(OCc1cnc(Cl)s1)c1ccc([N+](=O)[O-])cc1	6221407	OKDAXXUCUMQSNY-UHFFFAOYSA-N	298.707	3.062	5	50	CGBA	
O=c1oc2cc(O)ccc2c2oc3cc4c(cc3c12)OCO4	2561256	URMVEUAWRUQHON-UHFFFAOYSA-N	296.234	3.127	5	50	CGBA	endogenous,in-man
O=c1cc(Nc2cccc([N+](=O)[O-])c2)c2ccccc2o1	312343	WPFJVRWSJCBASD-UHFFFAOYSA-N	282.255	3.445	5	50	CGBA	
Cc1cc(C)cc(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c1	4982821	VFBFWGLJUSYCOF-UHFFFAOYSA-N	288.263	3.258	5	50	CGBA	
C[N@@+]1(Cc2ccccc2)CCC[C@@H]1c1ccc(N)nc1	245380054	PUHXBHUWCKYEFK-UZLBHIALSA-N	268.384	3.146	5	50	CGBA	biogenic,in-vitro
O=[N+]([O-])c1c(Br)cccc1OC(F)(F)F	261493984	NFPVIBSOQZDEIX-UHFFFAOYSA-N	286.003	3.256	5	50	CGBA	
Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)c1cccc(O)c1	174718976	QABHMTCNKBDHJT-JTQLQIEISA-N	273.292	3.177	5	50	CGBA	
O=[N+]([O-])c1ccc([C@H]2NN=C(c3ccccc3)S2)cc1	432436	YPVGQAHRBVUJCR-AWEZNQCLSA-N	285.328	3.292	5	50	CGBA	
CCCCCOC(=O)C(C)(C)CC[C@H](C)[N+](=O)[O-]	45068404	YVTKXQZABVNMMV-NSHDSACASA-N	259.346	3.191	5	50	CGBA	
CC(C)(C)NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F	261494465	YGOAHFXXUNZCBW-UHFFFAOYSA-N	290.241	3.142	5	50	CGBA	
O=[N+]([O-])c1ccc(Cl)c(Br)c1F	261493425	ASEOPGXIVPDOJN-UHFFFAOYSA-N	254.442	3.150	5	50	CGBA	
COc1ccc(OCCOc2ccccc2[N+](=O)[O-])cc1	2985744	CTTJBNDIJKHAIG-UHFFFAOYSA-N	289.287	3.061	5	50	CGBA	
CCC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	2519827	JBZGDWOTNYFRMT-UHFFFAOYSA-N	298.298	3.440	5	50	CGBA	
O=C(Cc1ccc(F)cc1)Nc1ccc(F)c([N+](=O)[O-])c1	302950	MWEDWXZDTKDLFI-UHFFFAOYSA-N	292.241	3.054	5	50	CGBA	
Cc1nn(Cc2nc3ccccc3s2)c(C)c1[N+](=O)[O-]	4943046	JTPVKSMVKRNFND-UHFFFAOYSA-N	288.332	3.066	5	50	CGBA	
CCO[S@@](=O)(=NC(C)(C)C)c1ccc([N+](=O)[O-])cc1	238730586	MUWRMYYTSYLBDP-LJQANCHMSA-N	286.353	3.172	5	50	CGBA	
Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2[nH]1	13140504	PSTARAUKNNWSCH-UHFFFAOYSA-N	296.286	3.032	5	50	CGBA	
O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(F)cc3)o2)c1	2892962	YYFVKEVMSWPWQJ-UHFFFAOYSA-N	285.234	3.451	5	50	CGBA	
O=C(/C=C/c1ccccc1)Nc1ccc([N+](=O)[O-])cc1	4012111	AYXKBTUZYMUPEC-IZZDOVSWSA-N	268.272	3.247	5	50	CGBA	
C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]2CC[C@H]1C2	100970452	KKEJRNFFZBCZMW-ITDIGPHOSA-N	275.304	3.330	5	50	CGBA	
O=[N+]([O-])c1cc(Br)ccc1Br	2166805	WRGKKASJBOREMB-UHFFFAOYSA-N	280.903	3.120	5	50	CGBA	in-vitro
Cc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1	38485	NPTGEEBUWFEACF-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
Cc1ccc(NC(=O)c2cccc(F)c2)cc1[N+](=O)[O-]	476938	DZKGLEAHKYDDRI-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
C[C@@H]1CCc2oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3c2C1	3618929	XXLRWLHAWPLBOA-SSDOTTSWSA-N	276.248	3.374	5	50	CGBA	
O=[N+]([O-])c1ccc(CNc2cccc(F)c2)s1	279537	JGMYHCZGMMCFDL-UHFFFAOYSA-N	252.270	3.408	5	50	CGBA	
CCOc1ccc(/C=C\[N+](=O)[O-])cc1Br	208528004	ATXCHGLGNCYZAE-WAYWQWQTSA-N	272.098	3.095	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(C)c1	1055537	JTDJXRKPMYTNEK-UHFFFAOYSA-N	292.316	3.226	5	50	CGBA	
O=[N+]([O-])c1cc(Cl)c(F)c(Br)c1	68675318	BRRBPBANQLIPKD-UHFFFAOYSA-N	254.442	3.150	5	50	CGBA	
CC(=O)c1ccc(Sc2nnc(C)s2)c([N+](=O)[O-])c1	337917	NFGQJIYJHILGED-UHFFFAOYSA-N	295.345	3.109	5	50	CGBA	
Cn1cc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cn1	153518050	HAOAKJAHHGPXFN-UHFFFAOYSA-N	286.316	3.119	5	50	CGBA	
C[N@@+]1(Cc2ccccc2)CCC[C@H]1c1ccc(N)nc1	245380051	PUHXBHUWCKYEFK-JXFKEZNVSA-N	268.384	3.146	5	50	CGBA	biogenic,in-vitro
Cc1c(-c2nc3ccccc3c(=O)o2)cccc1[N+](=O)[O-]	203408	FWJDZXOAIVSVDO-UHFFFAOYSA-N	282.255	3.072	5	50	CGBA	
CC(=O)c1ccc(COC(=O)c2cccc([N+](=O)[O-])c2)cc1	613925	MFSYWOPPMNBOBY-UHFFFAOYSA-N	299.282	3.154	5	50	CGBA	
O=[N+]([O-])c1cc(Br)c(F)cc1Br	71792884	WDFCYQDGGDTTCT-UHFFFAOYSA-N	298.893	3.259	5	50	CGBA	in-vitro
Cc1c(O[C@H](C)C(=O)O)ccc2c1oc(=O)c1ccccc12	407128	VIIZLJIIHXCDDN-SNVBAGLBSA-N	298.294	3.107	5	50	CGBA	
Cc1cn(Cc2c(Cl)cccc2Cl)nc1[N+](=O)[O-]	170619694	BNJRYJNGWDOFJE-UHFFFAOYSA-N	286.118	3.455	5	50	CGBA	
CCOc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1	103293	BXBOJEDXEBZWNC-UHFFFAOYSA-N	286.287	3.246	5	50	CGBA	
N=C1Cc2ccccc2CN1c1cccc([N+](=O)[O-])c1	139600	XCHKMDGEYYYCHT-UHFFFAOYSA-N	267.288	3.135	5	50	CGBA	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccccc1	234741	UJHYOMVTFAFFGU-HUUCEWRRSA-N	282.299	3.337	5	50	CGBA	
O=[N+]([O-])c1cc(-c2cc[nH]n2)c(Cl)cc1Cl	431964	BZQUXLGFCRUGSJ-UHFFFAOYSA-N	258.064	3.292	5	50	CGBA	
O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)cc2O)cc1	100097205	LQXIJXYIRFTCGS-UHFFFAOYSA-N	281.271	3.153	5	50	CGBA	aggregator
OC[C@@H]1CCC[N@@+]2(C/C=C/c3ccccc3)CCCC[C@H]12	253390383	DQDGHVIJYQKOOP-IBPVWVSISA-N	286.439	3.471	5	50	CGBA	biogenic
O=[N+]([O-])c1ccc(Cl)cc1NCCOCC(F)(F)F	4672346	NJFQEZRORAMBGW-UHFFFAOYSA-N	298.648	3.239	5	50	CGBA	
Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c(C)c1	101882	WGMMCHJMOXWGPL-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	in-vivo
Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	103280	UEPGMSOIQCDFBZ-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
O=C(O)c1cccc(-c2cc(Cl)cc([N+](=O)[O-])c2O)c1	36377904	PGNTVCRTPYDGRN-UHFFFAOYSA-N	293.662	3.319	5	50	CGBA	
Cc1nn(Cc2cccc(Cl)c2)c(C)c1[N+](=O)[O-]	614316	XFHSAPNUFNLGBE-UHFFFAOYSA-N	265.700	3.110	5	50	CGBA	
C[C@H]1CN(C)[C@H](C)c2c1oc1c([N+](=O)[O-])cccc21	35335356	YEDYHJFVBBFGPZ-DTWKUNHWSA-N	260.293	3.451	5	50	CGBA	
O=[N+]([O-])c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])cc1	22796779	WVWFJEFZYNZVCS-UHFFFAOYSA-N	278.195	3.434	5	50	CGBA	
Cc1cc(Br)c([N+](=O)[O-])cc1Br	36532866	LEYVOWUJMKYDOV-UHFFFAOYSA-N	294.930	3.428	5	50	CGBA	
O=[N+]([O-])c1ccc(OCCCN2CCCCCC2)cc1	2838832	VXZHJMKGCPKYKA-UHFFFAOYSA-N	278.352	3.240	5	50	CGBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]nc(-c3ccccc3)c2c1	3903100	PFUCNMYKIVKBEV-UHFFFAOYSA-N	284.231	3.046	5	50	CGBA	
CC(C)Oc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1	261493744	IKDFABSNYBRXCT-UHFFFAOYSA-N	265.187	3.281	5	50	CGBA	
CCCNc1cc(OC)c(Br)cc1[N+](=O)[O-]	65336890	YQYSDNLJABVUOY-UHFFFAOYSA-N	289.129	3.188	5	50	CGBA	in-vitro
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1ccccc1	4012181	VQBXJAHKWCTDEL-CABCVRRESA-N	282.299	3.337	5	50	CGBA	
COc1cccc2c1O[C@H](c1ccccc1)C([N+](=O)[O-])=C2	89010	VZZMTGKGLHHYIS-OAHLLOKOSA-N	283.283	3.447	5	50	CGBA	
C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1	313570	LLZBBOSMEREIHE-NSHDSACASA-N	299.282	3.023	5	50	CGBA	
Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1	103275	RDJDRUCNHBLROS-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
O=[N+]([O-])c1cccc(-c2cnc3ccccc3n2)c1	168847	XTBOWTFVCVWSTE-UHFFFAOYSA-N	251.245	3.205	5	50	CGBA	
CCOC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	620809	PPFBOEAHRUYZIH-UHFFFAOYSA-N	261.233	3.032	5	50	CGBA	
C[C@@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])c(Cl)n2)C1	220971997	BKGPWAZBSWBYPL-RKDXNWHRSA-N	269.732	3.126	5	50	CGBA	
COC(=O)c1ccc(-c2ccc(OC)cc2)cc1[N+](=O)[O-]	97756979	DFIFLMPMFNUTHX-UHFFFAOYSA-N	287.271	3.057	5	50	CGBA	
COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	168471	AYTAXIQGKJKPFT-UHFFFAOYSA-N	257.245	3.048	5	50	CGBA	in-vitro
O=[N+]([O-])c1cc(Cl)ccc1N1CCC2(CC2)C1	588040708	LLNHRBLTHAPCCK-UHFFFAOYSA-N	252.701	3.239	5	50	CGBA	
Cc1n[nH]c(Nc2cccc(Cl)c2)c1[N+](=O)[O-]	12284934	FLYMRXZFLYMXQC-UHFFFAOYSA-N	252.661	3.023	5	50	CGBA	
O=c1nc(/C=C/c2ccccc2[N+](=O)[O-])[nH]c2ccccc12	18212423	IMBSQJKMFOAGJH-MDZDMXLPSA-N	293.282	3.002	5	50	CGBA	
Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1	38539	MJLXQKNXJKYSOA-UHFFFAOYSA-N	257.245	3.122	5	50	CGBA	
O=[N+]([O-])c1cc(Br)cc(Br)c1F	307643846	QNQVKMVBSJDXAE-UHFFFAOYSA-N	298.893	3.259	5	50	CGBA	
Cc1csc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1	447721	PAKDGOLXSUCPGU-AATRIKPKSA-N	289.316	3.012	5	50	CGBA	
COc1ccc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)cc1	469388	UIEUFSASFPGVES-UHFFFAOYSA-N	297.270	3.320	5	50	CGBA	
C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1cn[nH]c1	231676907	IZWVEICEECFVSW-SSDOTTSWSA-N	266.688	3.144	5	50	CGBA	
CC1(C)Cc2cccc(Oc3ccc([N+](=O)[O-])cn3)c2O1	2539559	PQSZSAMMINZFKC-UHFFFAOYSA-N	286.287	3.496	5	50	CGBA	
O=[N+]([O-])c1ccc(N2N=N[C@@H]3[C@H]4C[C@@H]([C@@H]5C=CC[C@H]54)[C@H]32)cc1	257371817	GRPWWKAQJXYSNI-OWDFPOFWSA-N	296.330	3.361	5	50	CGBA	
O=C(O)c1cccc(-c2ccc(F)c([N+](=O)[O-])c2)c1	65337054	TXSMMXNGTYCZST-UHFFFAOYSA-N	261.208	3.099	5	50	CGBA	in-vitro
O=C(O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1	173107	URNMGYXKADUUTL-UHFFFAOYSA-N	275.285	3.444	5	50	CGBA	
COc1cc(Sc2ccccc2[N+](=O)[O-])ccc1N	446467	NABYJASVNMEUOX-UHFFFAOYSA-N	276.317	3.337	5	50	CGBA	
Cc1cccn2cc(-c3cccc([N+](=O)[O-])c3)nc12	1393764	XEHFGVSJJRRHAB-UHFFFAOYSA-N	253.261	3.218	5	50	CGBA	biogenic
COc1cccc(CNc2cccc([N+](=O)[O-])c2)c1	4856519	YZOGQNMCYOSDKF-UHFFFAOYSA-N	258.277	3.216	5	50	CGBA	
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-]	380110	VANLIIHBSYLYJL-UHFFFAOYSA-N	265.700	3.110	5	50	CGBA	
Cc1ccc(C(=O)OCc2ccccc2F)cc1[N+](=O)[O-]	2868744	IBXWCVQANPHNLL-UHFFFAOYSA-N	289.262	3.399	5	50	CGBA	
CCCCN(CC)C(=O)Nc1ccc([N+](=O)[O-])cc1	4776701	VUFPBSXWFYZMHV-UHFFFAOYSA-N	265.313	3.249	5	50	CGBA	
CCN(CC)CCCCOc1ccc([N+](=O)[O-])cc1	2875137	DCXGAJBPCOBCMR-UHFFFAOYSA-N	266.341	3.096	5	50	CGBA	
CCOc1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1	4689077	WFGDBZDBTQTODE-UHFFFAOYSA-N	286.287	3.246	5	50	CGBA	
CCCNc1ccc([N+](=O)[O-])cc1Br	37131378	OVOUOGKDIXSQDS-UHFFFAOYSA-N	259.103	3.179	5	50	CGBA	
CCOc1cc(Br)c(Cl)cc1[N+](=O)[O-]	95495736	DQUYNYJGMFTJFF-UHFFFAOYSA-N	280.505	3.409	5	50	CGBA	
O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccn[nH]2)c(Cl)c1	170616233	NJEVBXCGKQGBCB-ZDUSSCGKSA-N	292.726	3.313	5	50	CGBA	
Cc1ccccc1[C@@H](c1ccccc1)[N+](C)(C)CCO	15637024	BGFWERKPECHIAR-GOSISDBHSA-N	270.396	3.153	5	50	CGBA	
O=[N+]([O-])c1cnn(Cc2ccc(Cl)c(Cl)c2)c1	380115	PRYDAKMUWSCXRC-UHFFFAOYSA-N	272.091	3.146	5	50	CGBA	
Cc1cc(-c2nnc(-c3ccco3)o2)ccc1[N+](=O)[O-]	2755894	QPHJMHAXTFUMOS-UHFFFAOYSA-N	271.232	3.213	5	50	CGBA	
CCc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	4841966	SHAHXQBIXURWFV-UHFFFAOYSA-N	270.288	3.410	5	50	CGBA	
CCC[C@@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	442527	IDBHBTVHFSBSBP-MRVPVSSYSA-N	270.716	3.167	5	50	CGBA	
CC1=C[C@@H](C)C(=O)N(CC[C@@H]2CCCC[N+]2(C)C)C(C)=C1	71787008	RVMDGLMQUOKCOT-WBVHZDCISA-N	291.459	3.334	5	50	CGBA	
O=[N+]([O-])c1ccc(CN2CCCCCCC2)s1	206971	OAYRIRJUQBJLKG-UHFFFAOYSA-N	254.355	3.422	5	50	CGBA	
CCOC(=O)c1cccc(-c2ccc(/C=C/[N+](=O)[O-])o2)c1	475275	IIYRYWPBOJWTEV-CMDGGOBGSA-N	287.271	3.371	5	50	CGBA	
C[C@@H]1CCC[C@@H](NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1	5672787	YSXYPPBKFNCCQB-DGCLKSJQSA-N	292.335	3.400	5	50	CGBA	
O=C(NCc1cccs1)c1ccc([N+](=O)[O-])c(Cl)c1	376389	QEILATIWIWDSQM-UHFFFAOYSA-N	296.735	3.240	5	50	CGBA	
C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1	20035362	FCBCKDRJNBHFGB-GFCCVEGCSA-N	256.305	3.446	5	50	CGBA	
CCC(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1C	453166	MKAYHCWMWDVRHU-UHFFFAOYSA-N	250.298	3.278	5	50	CGBA	
C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	43857	OTZYXPKYOAAGEU-NSHDSACASA-N	270.288	3.086	5	50	CGBA	
C[C@@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1	453750	UDDNRXADOCPSEH-ZDUSSCGKSA-N	298.342	3.346	5	50	CGBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)C(Cl)(Cl)Cl	5102887	WOAYPPMWLLOUHX-UHFFFAOYSA-N	297.525	3.212	5	50	CGBA	
O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1	16889933	QJYHUJAGJUHXJN-UHFFFAOYSA-N	266.253	3.256	5	50	CGBA	in-vitro
CC(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	443627	ATCGJYDOZZZASO-UHFFFAOYSA-N	256.689	3.233	5	50	CGBA	
O=C(Nc1ccccc1)OCc1ccc([N+](=O)[O-])cc1	2164981	GBPNLOVPSNSXQF-UHFFFAOYSA-N	272.260	3.344	5	50	CGBA	
O=C(Nc1cc(F)ccc1[N+](=O)[O-])c1c(F)cccc1F	4812517	VJXRQOZFDROFGJ-UHFFFAOYSA-N	296.204	3.264	5	50	CGBA	
CCC(=O)Nc1ccc(C(C)(C)C)cc1[N+](=O)[O-]	4831776	NNNVPEGEOFJHNM-UHFFFAOYSA-N	250.298	3.241	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3O)n[nH]2)cc1	585152463	KLILKIRNDTVUOP-UHFFFAOYSA-N	281.271	3.358	5	50	CGBA	
O=[N+]([O-])c1ccc(N2CCCCC2)cc1NC1CC1	4543442	MTMRWXNHBUCVDW-UHFFFAOYSA-N	261.325	3.159	5	50	CGBA	
Cc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1	439643	WBYQVLGVMLLTPJ-UHFFFAOYSA-N	296.282	3.012	5	50	CGBA	
O=[N+]([O-])c1c(Sc2ccccn2)ccc2nsnc12	615477	REUVASQWPBDEDA-UHFFFAOYSA-N	290.329	3.146	5	50	CGBA	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccccc1	234746	UJHYOMVTFAFFGU-LSDHHAIUSA-N	282.299	3.337	5	50	CGBA	
C[N+](C)(C)CCOc1ccccc1Cc1ccccc1	410248	FAJJPKPHEBAPSU-UHFFFAOYSA-N	270.396	3.362	5	50	CGBA	
O=[N+]([O-])c1cc2c3c(c1)CCc1cccc(c1-3)CC2	4571178	CMQCIMXGPDHCOA-UHFFFAOYSA-N	251.285	3.459	5	50	CGBA	
C[N+](C)(CCOc1ccccc1)Cc1ccccc1	1023	AVWWVJUMXRXPNF-UHFFFAOYSA-N	256.369	3.342	5	50	CGBA	in-man
CCOc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1	149160	CCHFHNMYPPZNHU-UHFFFAOYSA-N	287.271	3.213	5	50	CGBA	
O=[N+]([O-])[C@H]1CCCCCCCCCC[C@H]1[N+](=O)[O-]	45068423	YNIYBFNGJQELGI-TXEJJXNPSA-N	258.318	3.192	5	50	CGBA	
O=Cc1ccc(-c2cc(F)ccc2F)c([N+](=O)[O-])c1	675069602	JEZLWJPNXRWKGQ-UHFFFAOYSA-N	263.199	3.353	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCC[C@H]1C	4856339	AZGRRMFLIVWBTP-RISCZKNCSA-N	278.352	3.272	5	50	CGBA	
CC[C@@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1	4825664	XBBQPLXNHHQNQE-HNNXBMFYSA-N	298.342	3.346	5	50	CGBA	
C[C@]12CCCCC1=N[C@@H](c1ccc([N+](=O)[O-])cc1)N2O	19606421	RJFKUDLDCYFOQT-KGLIPLIRSA-N	275.308	3.072	5	50	CGBA	
Cc1c(C(=O)Nc2cccc(F)c2)cccc1[N+](=O)[O-]	255442	AXFAJVKQCSYMEW-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
Cc1cc(Br)cc(Br)c1[N+](=O)[O-]	36532860	QCCRQIPAJVHCDN-UHFFFAOYSA-N	294.930	3.428	5	50	CGBA	
COc1cccc(-c2ccc(F)cc2[N+](=O)[O-])c1OC	725264274	VSIOAFNPJSBCCU-UHFFFAOYSA-N	277.251	3.418	5	50	CGBA	
O=C(CCNc1cccc(F)c1)c1cccc([N+](=O)[O-])c1	59752	ZNWIIHBNDHFYOY-UHFFFAOYSA-N	288.278	3.419	5	50	CGBA	
CN1c2ccccc2N(C)C1c1cccc([N+](=O)[O-])c1	289258	QFTWOTXRAWHQAZ-UHFFFAOYSA-N	269.304	3.180	5	50	CGBA	
Cc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1	467004	XCRHOGKPDBYWJW-UHFFFAOYSA-N	271.272	3.260	5	50	CGBA	
Cc1ccc([N+](=O)[O-])c(OC(F)F)c1Br	263623572	IPOYOEBNDWLEDL-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
C[C@H]1CN(C)[C@@H](C)c2c1oc1ccc([N+](=O)[O-])cc21	12436518	HAPQZJBJBJVMIZ-IUCAKERBSA-N	260.293	3.451	5	50	CGBA	
Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2C)cccc1[N+](=O)[O-]	2883235	WCNVQOKKYWGOMY-GXFFZTMASA-N	276.336	3.212	5	50	CGBA	
COc1c(C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	1297642	SUAUILGSCPYJCS-UHFFFAOYSA-N	268.269	3.118	5	50	CGBA	biogenic,in-vitro
O=C(Nc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1O	4014048	WVPAGUZJMMFQCO-UHFFFAOYSA-N	292.678	3.206	5	50	CGBA	
COc1cccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc12	34974	UEQZBWZNEQUUQA-UHFFFAOYSA-N	297.266	3.377	5	50	CGBA	
C[C@H]1c2c(oc3c([N+](=O)[O-])cccc23)[C@H](C)CN1C	23115254	YEDYHJFVBBFGPZ-BDAKNGLRSA-N	260.293	3.451	5	50	CGBA	
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(N)c1-c1ccccc1	1076018	NGFAJVJDKJXIRF-UHFFFAOYSA-N	294.314	3.338	5	50	CGBA	
O=[N+]([O-])c1cccc(OCCCCN2CCCCC2)c1	4842426	RBDZRHDJQXNNCU-UHFFFAOYSA-N	278.352	3.240	5	50	CGBA	
CCC(=O)Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-]	4829110	LGTUZFPYYMKOTE-UHFFFAOYSA-N	263.080	3.250	5	50	CGBA	
O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccccc1Cl	4833850	HAOQTJMFEWFNTH-UHFFFAOYSA-N	292.678	3.206	5	50	CGBA	
Cc1cccnc1CN[C@H](C)CCc1ccccc1[N+](=O)[O-]	154665310	QSDHKKGDBDCQSV-CQSZACIVSA-N	299.374	3.409	5	50	CGBA	
CCO[S@](=O)(=NC(C)(C)C)c1ccc([N+](=O)[O-])cc1	238730587	MUWRMYYTSYLBDP-IBGZPJMESA-N	286.353	3.172	5	50	CGBA	
CC(C)COc1ccc([N+](=O)[O-])cc1Br	34142061	JMHCNCPLRUGADS-UHFFFAOYSA-N	274.114	3.392	5	50	CGBA	in-vitro
O=[N+]([O-])c1ccc(-c2nnc(S)n2-c2ccccc2)cc1	363173	VOABNYQQUDETHE-UHFFFAOYSA-N	298.327	3.131	5	50	CGBA	
O=[N+]([O-])c1ccc(N2CCC[C@@H](C(F)(F)F)C2)cc1	85652849	GOMXWUJOKDHSBV-SECBINFHSA-N	274.242	3.374	5	50	CGBA	
Cc1cc([N+](=O)[O-])cc(Br)c1OC(F)F	263623749	KKCJOJBUEQTVKF-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCCCC1	63850	FENYUYIKUBGJHI-CMDGGOBGSA-N	274.320	3.011	5	50	CGBA	biogenic
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)o1	1055599	HVVLWFPNPCEZOU-UHFFFAOYSA-N	260.249	3.057	5	50	CGBA	
Cc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1	3959538	BZWSTMONQJLXQY-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
O=[N+]([O-])c1ccc(OC(F)(F)F)cc1OC(F)F	263624598	RVYOTJGTBPPZLE-UHFFFAOYSA-N	273.113	3.095	5	50	CGBA	
CC(=O)c1cc(N2Cc3ccccc3C2)ccc1[N+](=O)[O-]	228259895	IWJIOEVPSHQNRR-UHFFFAOYSA-N	282.299	3.318	5	50	CGBA	
Cc1cc(Br)c([N+](=O)[O-])cc1OC(F)F	263622948	CJDUUJJMWSBOHQ-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
Cc1ccc(/C=C/C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)o1	433966	WQQZBPHPFZCYKK-BQYQJAHWSA-N	286.287	3.457	5	50	CGBA	
O=Cc1ccc(-c2ccc([N+](=O)[O-])c(Cl)c2)o1	312735	JAVSKOGDBJUBQU-UHFFFAOYSA-N	251.625	3.321	5	50	CGBA	
Cc1ccc(F)c(NC(=O)c2ccccc2[N+](=O)[O-])c1	376339	KZBFCFHPQSYDQQ-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)o1	370959	AVMKSJCYSAHBPQ-UHFFFAOYSA-N	260.249	3.057	5	50	CGBA	
COc1ccc(NC(=O)c2ccc(C)s2)c([N+](=O)[O-])c1	4647111	QNIDTUKHFQXXOD-UHFFFAOYSA-N	292.316	3.226	5	50	CGBA	
CC(C)(C)OC(=O)n1ccc2c([N+](=O)[O-])cccc21	12471839	UKMLUDGMHPZXGN-UHFFFAOYSA-N	262.265	3.333	5	50	CGBA	in-vitro
Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn2c1	197817	PCHSIVKWNPZZPW-UHFFFAOYSA-N	253.261	3.218	5	50	CGBA	biogenic
CC(C)(C)Sc1nc2sccn2c1[N+](=O)[O-]	1395910	SKPUNIIFGKKYNO-UHFFFAOYSA-N	257.340	3.195	5	50	CGBA	
O=[N+]([O-])c1cc(CN2CCCCC2)ccc1Cl	37403736	WAISOIXTMOUHQM-UHFFFAOYSA-N	254.717	3.234	5	50	CGBA	
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl	155237	HRPHZUAPQWJPCZ-UHFFFAOYSA-N	261.664	3.479	5	50	CGBA	in-vitro
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	103303	HYYSQFKMJYMIOP-NSHDSACASA-N	270.288	3.086	5	50	CGBA	
O=[N+]([O-])c1ccc2nc(-c3ccccc3)cnc2c1	331444	NVCVIJFCPOXHQI-UHFFFAOYSA-N	251.245	3.205	5	50	CGBA	
O=[N+]([O-])c1c(C2CCC(O)CC2)ccc2ncccc12	38537552	BNTXCDKSVPDJNE-UHFFFAOYSA-N	272.304	3.162	5	50	CGBA	in-vitro
COc1cc(-c2cc(C(=O)O)cc([N+](=O)[O-])c2)ccc1F	77031551	QNJMGNGTZUHAKC-UHFFFAOYSA-N	291.234	3.108	5	50	CGBA	in-vitro
O=C(Nc1ccccc1O)c1ccc(Cl)c([N+](=O)[O-])c1	2897596	KDELFHDNNVLPET-UHFFFAOYSA-N	292.678	3.206	5	50	CGBA	
Cc1cc([N+](=O)[O-])c(C(=O)OC(C)C)cc1Cl	95950577	PKLKKNXHDDASGV-UHFFFAOYSA-N	257.673	3.122	5	50	CGBA	
O=Nc1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccn12	5532868	AAVJZUPADMJRQF-UHFFFAOYSA-N	268.232	3.307	5	50	CGBA	
Cc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)o1	443197	ZRVBTVWLOXMDMP-BQYQJAHWSA-N	272.260	3.148	5	50	CGBA	
COC[C@]1(C2CC2)CCCN1c1cc(C)ccc1[N+](=O)[O-]	2325748803	SSAQNDNVWBRFJO-INIZCTEOSA-N	290.363	3.299	5	50	CGBA	
COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	101583	WWUVNHPDEFIUQI-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
O=C(Nc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1	311426	ASFMMBFIJDZTNK-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
CCCc1cc2c(c(NC(C)=O)n1)c(=O)oc1ccccc12	100112046	KJBQEEYXBKICPG-UHFFFAOYSA-N	296.326	3.252	5	50	CGBA	aggregator
O=[N+]([O-])c1c(F)cccc1NCc1cccc(O)c1	180419772	NYHBSTWNXJHTLD-UHFFFAOYSA-N	262.240	3.052	5	50	CGBA	
COc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	281418	GCEAFKPQBALVKP-DHZHZOJOSA-N	298.298	3.255	5	50	CGBA	
CC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	60058	FGDYCHMZKTXMMN-UHFFFAOYSA-N	285.255	3.017	5	50	CGBA	
O=[N+]([O-])c1c(Cl)ncc(Br)c1Cl	97758462	SMJWSYDXAHYIKL-UHFFFAOYSA-N	271.885	3.059	5	50	CGBA	
CCCN(C(=O)C1CC=CC1)c1cccc([N+](=O)[O-])c1	194121829	PVUKPEDUCWNWDS-UHFFFAOYSA-N	274.320	3.304	5	50	CGBA	
Cc1c(NC(=O)c2ccccc2)cccc1[N+](=O)[O-]	38670	QAKZIXNHKYUBMJ-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
O=[N+]([O-])c1cnn(Cc2c(Cl)cccc2Cl)c1	2388607	RGNCPBUVEQAPIN-UHFFFAOYSA-N	272.091	3.146	5	50	CGBA	
Cc1nc2ccccc2n1CCOc1ccc([N+](=O)[O-])cc1	255359	IELBMTPOEINEAN-UHFFFAOYSA-N	297.314	3.332	5	50	CGBA	
COc1ccc(C(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)cc1	100697947	SDBZUDCLSHEYEN-UHFFFAOYSA-N	299.282	3.059	5	50	CGBA	
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)Oc1ccccc1O2	2066516	YKBFDZKCVIXREA-UHFFFAOYSA-N	274.188	3.401	5	50	CGBA	
O=[N+]([O-])c1cc(F)c(N2CCCC2)cc1Br	3894061	IXRFXROGXPJAGZ-UHFFFAOYSA-N	289.104	3.097	5	50	CGBA	
CCOC(=O)c1cc(N[C@@H](C)CC)c(F)cc1[N+](=O)[O-]	725261724	DOKFIEXKOLSNJC-QMMMGPOBSA-N	284.287	3.121	5	50	CGBA	
CCCCNCCCCOc1ccc([N+](=O)[O-])cc1	2898397	WDXMNIYKXAYNQS-UHFFFAOYSA-N	266.341	3.144	5	50	CGBA	
Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3n2C)cc1	6694359	ZIDYZLRLFFPGNN-UHFFFAOYSA-N	267.288	3.457	5	50	CGBA	
Cc1ccc(Br)c([N+](=O)[O-])c1Cl	261494027	ODOWLIUOMPYMQT-UHFFFAOYSA-N	250.479	3.319	5	50	CGBA	
Cc1cc(C(=O)N2CCCc3ccccc32)ccc1[N+](=O)[O-]	63720	LJUJCTOPMHMICB-UHFFFAOYSA-N	296.326	3.496	5	50	CGBA	
Cc1cc(C)nc(SCc2ccc([N+](=O)[O-])cc2)n1	207172	VRRVTSNVLDQZGZ-UHFFFAOYSA-N	275.333	3.294	5	50	CGBA	
CC(C)C(NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	453539	USDDTSQRJXKLID-UHFFFAOYSA-N	264.325	3.005	5	50	CGBA	
C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	473302	KFNJAKRWFDECKM-SECBINFHSA-N	282.727	3.263	5	50	CGBA	
COc1cc(N[C@@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-]	174720424	YHSFRDHJBLWGNF-JTQLQIEISA-N	288.303	3.482	5	50	CGBA	
CCOC(=O)c1cnc2c(ccc3ccccc32)c1N	19792055	DOGQVKFHBMNJGG-UHFFFAOYSA-N	266.300	3.147	5	50	CGBA	
Cc1ccc2c(c1)[C@H](c1ccccc1[N+](=O)[O-])CC(=O)N2	84796	GCQHIQGSYBZUNV-LBPRGKRZSA-N	282.299	3.377	5	50	CGBA	
Nc1c(C(=O)c2ccccc2)oc2ccc([N+](=O)[O-])cc12	4557463	WFHQUIDYYGWVLY-UHFFFAOYSA-N	282.255	3.154	5	50	CGBA	
COc1ccc(N(C#N)Cc2cccc([N+](=O)[O-])c2)cc1	390833239	DYYCDJKSLUJCHM-UHFFFAOYSA-N	283.287	3.091	5	50	CGBA	
O=c1oc2ccccc2c2nc3cc4c(cc3cc12)OCO4	4784952	YDAOHNMFVOHDTC-UHFFFAOYSA-N	291.262	3.223	5	50	CGBA	
CCc1nc(CCNc2ncc([N+](=O)[O-])s2)sc1C	240902750	IVBZMTJSYUUAPN-UHFFFAOYSA-N	298.393	3.033	5	50	CGBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1	101711	AITINBWGCGZTNE-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-]	255446	JLDNHZBCPWFBQU-UHFFFAOYSA-N	292.241	3.434	5	50	CGBA	
CC[n+]1ccc(/C=C\c2cccc([N+](=O)[O-])c2)cc1	16980906	QBBKXVFDWVKZCD-SREVYHEPSA-N	255.297	3.073	5	50	CGBA	
CN(C)c1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2	4366378	HUINNTZAYMOQQO-UHFFFAOYSA-N	254.289	3.232	5	50	CGBA	
Cc1cc(C)c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2n1	4006244	DDRJWSMUYOVUPA-UHFFFAOYSA-N	282.303	3.254	5	50	CGBA	
O=[N+]([O-])c1ccccc1CCc1cnc(Cl)s1	1384337	FAENDJJQRXQEGC-UHFFFAOYSA-N	268.725	3.490	5	50	CGBA	
COc1ccc(Nc2ccc([N+](=O)[O-])c(Cl)n2)cc1	220972528	SSYLLEJOJMPNBG-UHFFFAOYSA-N	279.683	3.395	5	50	CGBA	
O=[N+]([O-])c1cc(OC(F)(F)F)ccc1Br	85221817	LHWANFWEBHKYCZ-UHFFFAOYSA-N	286.003	3.256	5	50	CGBA	in-vitro
O=[N+]([O-])c1cccc(-c2noc(CCc3ccccc3)n2)c1	85442	YVPDFWGUWBVCBF-UHFFFAOYSA-N	295.298	3.430	5	50	CGBA	
C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCC[C@H]1C	239231242	VFAVJEWMCUMXJP-SUNKGSAMSA-N	276.336	3.149	5	50	CGBA	
O=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1	2529525	WIUYZJHSJSZAQZ-UHFFFAOYSA-N	293.282	3.260	5	50	CGBA	
O=C(Nc1ccccc1)Nc1ccc([N+](=O)[O-])cc1	4582966	QHHPMKKJBURYIQ-UHFFFAOYSA-N	257.249	3.239	5	50	CGBA	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)O)o1	233430	CGSJRTMBJMQGOB-QPJJXVBHSA-N	273.244	3.261	5	50	CGBA	in-vitro
Cc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1	4828873	GCWPHFUTHVPPAH-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	40450028	VPTBROVHGPFOPR-UHFFFAOYSA-N	273.244	3.174	5	50	CGBA	
O=[N+]([O-])c1nn(Cc2ccc(F)cc2Cl)cc1Cl	4840426	OVMKNDVVMLWXNH-UHFFFAOYSA-N	290.081	3.286	5	50	CGBA	
O=[N+]([O-])c1ccc2c(c1)ON=C(c1ccc(Cl)cc1)N2	4982497	CQFQPCVLOKLVGL-UHFFFAOYSA-N	289.678	3.414	5	50	CGBA	
Cn1c(-c2ccccc2)nc2cc([N+](=O)[O-])ccc21	6565527	QQKMJGBVCFRVGY-UHFFFAOYSA-N	253.261	3.149	5	50	CGBA	
COC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)c(F)c1	97757205	CSBFHSZOMYYTFI-UHFFFAOYSA-N	275.235	3.188	5	50	CGBA	
O=[N+]([O-])c1ccc2ccc(Br)c(O)c2c1	725347421	DBVCUVZYBAPYNR-UHFFFAOYSA-N	268.066	3.216	5	50	CGBA	
Cc1nc(Cl)nc(N(C)c2ccccc2)c1[N+](=O)[O-]	3878085	JDGQVAOYUNHCNU-UHFFFAOYSA-N	278.699	3.115	5	50	CGBA	
O=C(C[C@H](C[N+](=O)[O-])c1ccccc1)c1ccccc1	1667269	HSDQDDXGMUPFTK-OAHLLOKOSA-N	269.300	3.320	5	50	CGBA	biogenic
O=C(O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)o1	2521398	QLEOLDBNQXUALN-UHFFFAOYSA-N	297.650	3.118	5	50	CGBA	
COc1ccc(NC(=O)c2sccc2C)c([N+](=O)[O-])c1	4647143	MBQHDLARKZAXKD-UHFFFAOYSA-N	292.316	3.226	5	50	CGBA	
O=[N+]([O-])c1ccc2nc(N3CCc4ccccc43)[nH]c2c1	1161979889	MJLDRYURJGZRFB-UHFFFAOYSA-N	280.287	3.165	5	50	CGBA	
CC(C)Oc1ccc(/C=C\[N+](=O)[O-])cc1Br	5059370	VWCQLSNCTGQALQ-WAYWQWQTSA-N	286.125	3.484	5	50	CGBA	
Cc1ccc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-]	239284733	BYZAYPJHKXBYHG-IMRBUKKESA-N	274.320	3.278	5	50	CGBA	
Cc1ccc(/C=C2/SC(=S)N=C2O)cc1[N+](=O)[O-]	1194183	UFBUMHCTBSUKDL-WEVVVXLNSA-N	280.330	3.232	5	50	CGBA	
O=[N+]([O-])c1cnc(Nc2cccc(Cl)c2)c([N+](=O)[O-])c1	5016509	JKOJSZUDCPHOGH-UHFFFAOYSA-N	294.654	3.295	5	50	CGBA	
CC[C@@H](C)NCCCOc1ccc([N+](=O)[O-])c(C)c1	2823773	BTHQTNRCWDZKEQ-GFCCVEGCSA-N	266.341	3.060	5	50	CGBA	
O=C(O)c1cc2ccc1CCc1ccc(cc1[N+](=O)[O-])CC2	3122316	YTUXPWUULTWAHE-UHFFFAOYSA-N	297.310	3.177	5	50	CGBA	
C[C@H]1CC[C@H](/C=C/Nc2cccc([N+](=O)[O-])c2)C1=O	1776111263	KFFHBUCWFMCQMS-IAYMVZNDSA-N	260.293	3.136	5	50	CGBA	
Cc1cc([N+](=O)[O-])c(Br)cc1OC(F)F	263624393	QBKDBAIZULQKCK-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
Cc1cc(Br)cc(OC(F)F)c1[N+](=O)[O-]	263623866	LKFNEPKAXUFYCL-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
Cc1c(NC(=O)N[C@H](C)C(C)(F)F)cccc1[N+](=O)[O-]	454208011	WQOQRPVHIQPMRR-MRVPVSSYSA-N	287.266	3.068	5	50	CGBA	
CC(C)C[N+](C)(C)CCCC[N+](C)(C)CC(C)C	606422274	CAEIVFUSTSDZDR-UHFFFAOYSA-N	258.494	3.231	5	50	CGBA	
O=C(O)c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1	8473583	AEMXUPRNANAQQS-UHFFFAOYSA-N	259.217	3.085	5	50	CGBA	
CCCCOc1cc(N)c([N+](=O)[O-])cc1Br	65336868	MGECGULQZHLGPU-UHFFFAOYSA-N	289.129	3.118	5	50	CGBA	in-vitro
CCCCc1n[nH]c(SCc2ccc([N+](=O)[O-])cc2)n1	13523026	CZGDJDCQJLWJBZ-UHFFFAOYSA-N	292.364	3.348	5	50	CGBA	
CC(C)n1cc(CNc2ccc(Cl)cc2[N+](=O)[O-])nn1	312329444	ZFSDLMBUHBELGV-UHFFFAOYSA-N	295.730	3.033	5	50	CGBA	
CCC[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	456138	AFFCTHJLKPOUMM-VIFPVBQESA-N	250.298	3.278	5	50	CGBA	
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1Br	50594558	LBSGBNRINWZGAW-UHFFFAOYSA-N	296.124	3.160	5	50	CGBA	
O=C(Cc1ccc([N+](=O)[O-])cc1)NCCC1=CCCCC1	475544	MEVLWADIVARDEM-UHFFFAOYSA-N	288.347	3.144	5	50	CGBA	
C[C@@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])CCCO1	408518398	FSFFOJGZNBYOHM-SECBINFHSA-N	286.278	3.148	5	50	CGBA	
Cc1ccc(O)cc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5218447	ILSSXVOFARSZKP-UHFFFAOYSA-N	289.247	3.261	5	50	CGBA	
CC(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1	614012	XQNIDCPJIMOMLY-UHFFFAOYSA-N	271.272	3.376	5	50	CGBA	
O=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3)o2)c1	143429	PPAQPCTUYHOPLY-UHFFFAOYSA-N	267.244	3.312	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2noc(Cc3ccccc3)n2)cc1	858900	PZONGMVJXXWXIB-UHFFFAOYSA-N	281.271	3.236	5	50	CGBA	
C[C@@H](CNC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1	2858497	FIDBVIGZDMSOQJ-JTQLQIEISA-N	290.344	3.190	5	50	CGBA	
CC1CCN(CCCCOc2cccc([N+](=O)[O-])c2)CC1	4868961	IZBYZBIPNHBZER-UHFFFAOYSA-N	292.379	3.486	5	50	CGBA	
Cc1ccc(OCCN2CCC[C@H](C)C2)c([N+](=O)[O-])c1	4906719	CJTKZIKEOLMTQQ-ZDUSSCGKSA-N	278.352	3.014	5	50	CGBA	
O=[N+]([O-])c1c(F)cc(Br)cc1Cl	144810076	IFMKSRRGSJWPDT-UHFFFAOYSA-N	254.442	3.150	5	50	CGBA	
CC(C)Cc1cc2c(c(N)n1)c(=O)oc1ccccc12	19447518	MTQMEMJHYXUGQY-UHFFFAOYSA-N	268.316	3.122	5	50	CGBA	biogenic
Cc1cc([N+](=O)[O-])ccc1NCc1cccc([N+](=O)[O-])c1	4982380	XMWJWFDEPBKCHA-UHFFFAOYSA-N	287.275	3.424	5	50	CGBA	
O=[N+]([O-])c1c(F)cccc1OCCC(F)(F)F	125456115	NSOQXKORQLMWPY-UHFFFAOYSA-N	253.151	3.065	5	50	CGBA	
O=C(NCc1cccs1)c1ccc([N+](=O)[O-])cc1Cl	474279	MYPRHMBYKCMVNA-UHFFFAOYSA-N	296.735	3.240	5	50	CGBA	
CC(=O)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1	4071342	QRSMVWCVVRYQIQ-UHFFFAOYSA-N	285.255	3.017	5	50	CGBA	
O=C(O)c1ccccc1Nc1ccccc1[N+](=O)[O-]	4558864	FJNZXTAFUISVCI-UHFFFAOYSA-N	258.233	3.037	5	50	CGBA	
COc1ccc(C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	456430	FUOSMUNEKCEFLF-UHFFFAOYSA-N	271.272	3.143	5	50	CGBA	
COC(=O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1	4622301	RKLPKKOKDXVKFJ-UHFFFAOYSA-N	278.308	3.126	5	50	CGBA	in-vitro
C[C@H]1C[C@@H](C)CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1	15856478	WEBWUBDICLBMLX-VNTREEHLSA-N	288.347	3.113	5	50	CGBA	
CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	146673	XNCXPVFLVLGIDG-UHFFFAOYSA-N	284.271	3.050	5	50	CGBA	
O=[N+]([O-])c1ccc2c(c1)N=C(c1ccc(F)cc1)CO2	196560280	QXTZMFHJHRHNLD-UHFFFAOYSA-N	272.235	3.247	5	50	CGBA	
Cc1ccc(OC(F)F)c([N+](=O)[O-])c1Br	263622700	ACCOMVLTJNJLRA-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
O=[N+]([O-])c1ccc(N2CCCC2)c(C(F)(F)F)c1	4046679	BAUOMGQLDRWYSR-UHFFFAOYSA-N	260.215	3.214	5	50	CGBA	
O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccccc1	4522367	DOTLBHVBCHNOAA-UHFFFAOYSA-N	258.233	3.037	5	50	CGBA	
CCOc1ccc(N2Cc3ccccc3C2=O)c([N+](=O)[O-])c1	227174153	QUFRITIRAZMQKG-UHFFFAOYSA-N	298.298	3.154	5	50	CGBA	
C[C@@H]1C[C@@H](C)CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1	1132706	VFIFRHCLZDRSDO-WUOSCTTQSA-N	288.347	3.113	5	50	CGBA	
O=C(O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1F	85477055	GZYAYZLFCWPXPY-UHFFFAOYSA-N	261.208	3.099	5	50	CGBA	in-vitro
C[C@H](CNc1cccc(F)c1[N+](=O)[O-])c1nccs1	230606920	DITCUTWDINLPQN-MRVPVSSYSA-N	281.312	3.406	5	50	CGBA	
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cn1	621252	WZHTXFDDLSSFLC-UHFFFAOYSA-N	292.682	3.287	5	50	CGBA	
Cc1cccc(C)c1Nc1ccc2nonc2c1[N+](=O)[O-]	3879030	JOGNRCFJVCWKEV-UHFFFAOYSA-N	284.275	3.491	5	50	CGBA	
CC(=O)c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1	125543	FHLQCJOGNTWKMQ-UHFFFAOYSA-N	284.271	3.050	5	50	CGBA	
Cc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-]	272519	WHYBMUHSHMSFGC-RYUDHWBXSA-N	276.336	3.306	5	50	CGBA	
COC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1	168896	PVVIPSBIFWHOIX-UHFFFAOYSA-N	273.244	3.174	5	50	CGBA	
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	288708	SDCFKPZPGFJOSW-NXEZZACHSA-N	296.754	3.366	5	50	CGBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1ccccc1	1753389	QKKUYSFNPDKJPE-UHFFFAOYSA-N	299.330	3.267	5	50	CGBA	
COc1cccc(OC(=O)c2cccc([N+](=O)[O-])c2C)c1	2955860	MMPJRWWNNWRYQQ-UHFFFAOYSA-N	287.271	3.131	5	50	CGBA	
C[C@@]12CCCCC1=N[C@H](c1ccc([N+](=O)[O-])cc1)N2O	19606423	RJFKUDLDCYFOQT-UONOGXRCSA-N	275.308	3.072	5	50	CGBA	
CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	255809	LBOWMPWBQPKEKJ-UHFFFAOYSA-N	298.298	3.358	5	50	CGBA	
CC[C@H](C)OC(=O)CSc1ccccc1[N+](=O)[O-]	460679	YKUWEINLKZCLDF-VIFPVBQESA-N	269.322	3.029	5	50	CGBA	
OC[C@@H]1CCC[N@+]2(C/C=C/c3ccccc3)CCCC[C@H]12	253390387	DQDGHVIJYQKOOP-RYKYZJFKSA-N	286.439	3.471	5	50	CGBA	biogenic
O=[N+]([O-])c1cc(Br)cc(Cl)c1F	91252304	PNEWAZPHMNCPPO-UHFFFAOYSA-N	254.442	3.150	5	50	CGBA	in-vitro
COc1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2)cc1	286133	RBEXSHMZPHLMFD-INIZCTEOSA-N	297.314	3.042	5	50	CGBA	
CCNc1ccc(Br)c(C)c1[N+](=O)[O-]	306758636	ULXCBEMOYBJIAJ-UHFFFAOYSA-N	259.103	3.098	5	50	CGBA	
O=c1oc2ccccc2c2nc3c(O)cccc3cc12	2080385471	KDOWZTPORWLHBJ-UHFFFAOYSA-N	263.252	3.200	5	50	CGBA	
Cc1ccc(C(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-]	102000	VTGOMJNADMTMBM-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
O=[N+]([O-])c1ccc(Cl)c2c([N+](=O)[O-])cccc12	4577123	KCMPORJIBRHUHC-UHFFFAOYSA-N	252.613	3.310	5	50	CGBA	
O=c1oc2ccccc2c(NCc2ccccc2)c1[N+](=O)[O-]	13478367	DLBIJZSVHCCMOX-UHFFFAOYSA-N	296.282	3.313	5	50	CGBA	
O=[N+]([O-])c1ccc(NC(=S)N2CCCCCC2)cc1	5041267	KPFMNELSVSVMLU-UHFFFAOYSA-N	279.365	3.168	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1NCc1cc(F)ccc1F	292751	NILUXAJZDHOAHC-UHFFFAOYSA-N	294.257	3.494	5	50	CGBA	
COc1ccc(-c2ccc([N+](=O)[O-])c(F)c2)cc1C=O	725242698	WFJYVCFJTKRYKE-UHFFFAOYSA-N	275.235	3.222	5	50	CGBA	
Cc1ccccc1-c1cc(C(=O)O)cc([N+](=O)[O-])c1	77031929	SQUAMAPZYQSOBB-UHFFFAOYSA-N	257.245	3.268	5	50	CGBA	in-vitro
O=C(Nc1cc([N+](=O)[O-])ccc1F)OCc1ccccc1	14000765	LSGIFUHVMGFLNY-UHFFFAOYSA-N	290.250	3.483	5	50	CGBA	
COc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])o1	4118158	ISYBKJVJWAHUCA-UHFFFAOYSA-N	296.666	3.102	5	50	CGBA	
O=[N+]([O-])c1cc(Br)ccc1OC(F)(F)F	2525758	OIGUXYDXDJIDCY-UHFFFAOYSA-N	286.003	3.256	5	50	CGBA	in-vitro
Cc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])o1	272001	SYBVKUZANDMWMA-UHFFFAOYSA-N	260.249	3.057	5	50	CGBA	
Cc1cc(C(=O)Nc2cccc(F)c2)ccc1[N+](=O)[O-]	284832	SGJNUXPFEKYJJB-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1COc2ccccc21	192510471	FIVMJVMRTJETKU-WPRPVWTQSA-N	291.332	3.028	5	50	CGBA	
COC(=O)c1ccc(-c2cc(F)cc([N+](=O)[O-])c2)cc1	97757281	XHAPJQYXBFOQGX-UHFFFAOYSA-N	275.235	3.188	5	50	CGBA	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1F	433717	HBLPFSAKIBMMRW-JXMROGBWSA-N	286.262	3.386	5	50	CGBA	
COc1ccc([N+](=O)[O-])c(F)c1OC1CCCC1	168953958	LGBNOBXGLSHWEO-UHFFFAOYSA-N	255.245	3.064	5	50	CGBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c2cc(-c3ccncc3)oc2c1	3618158	HXKTYYNVHUTEOL-UHFFFAOYSA-N	285.215	3.311	5	50	CGBA	
CC(=O)c1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1	281573	FMZKCYJBIXDXGZ-UHFFFAOYSA-N	285.255	3.017	5	50	CGBA	
O=[N+]([O-])c1ccc(Nc2nccc(-c3cccnc3)n2)cc1	141235850	FVQWXFRXLNCDJT-UHFFFAOYSA-N	293.286	3.190	5	50	CGBA	
O=[N+]([O-])c1ccc(NC(=S)Nc2ccccc2)cc1	4244897	NNWRRGBHDKYELI-UHFFFAOYSA-N	273.317	3.404	5	50	CGBA	
Cc1ccc(C(=O)Nc2ccccc2F)cc1[N+](=O)[O-]	102025	RAWBGPPTOXFDKB-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
CC(C)(C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl	111677947	UCERYJRYDLVOAD-UHFFFAOYSA-N	257.673	3.204	5	50	CGBA	
C[C@@H]1CC(C)(C)C[C@@](Br)([N+](=O)[O-])C1	958528863	XEKBCHSLQYFJLS-APPZFPTMSA-N	250.136	3.201	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3O)n2)cc1	5898980	YHSDQSNJVVICQU-UHFFFAOYSA-N	283.243	3.017	5	50	CGBA	
O=[N+]([O-])c1ccc(/C=C/SCCCn2ccnc2)o1	2325760035	WKVXDBQVHQDXJO-RUDMXATFSA-N	279.321	3.179	5	50	CGBA	
Cc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)[nH]c2c1	5009410	AIPRYILPOZTXBV-UHFFFAOYSA-N	280.283	3.412	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2noc(-c3cccs3)n2)cc1	78557	RNBDDVSNTYIAEV-UHFFFAOYSA-N	273.273	3.373	5	50	CGBA	
COc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	271497	CGPMTRXYRUTGNR-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	4704007	FHYUFARLLVOEKX-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
CCOP(=O)(Cc1cccc([N+](=O)[O-])c1)OCC	34122109	QNHAEKQJZUMZFT-UHFFFAOYSA-N	273.225	3.361	5	50	CGBA	
Cc1cccc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1	281957	REVIHAXJENUXBF-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
Cc1cccc(C(=O)N2CCc3ccccc3C2)c1[N+](=O)[O-]	464267	VLXJGBPUASSWDX-UHFFFAOYSA-N	296.326	3.102	5	50	CGBA	
CCOC(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1Cl	1388883	KFGXYXDOKYRARJ-UHFFFAOYSA-N	280.063	3.437	5	50	CGBA	
Cc1cc(C)cc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)c1	1391307	WLACBAQSIHWPOB-UHFFFAOYSA-N	284.315	3.488	5	50	CGBA	
O=C(Nc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1	4748122	HKXHXCQSVRKXAC-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
CCCN(Cc1ccc([N+](=O)[O-])s1)CC1CC1	215842	IVTVWRMMPWUQQO-UHFFFAOYSA-N	254.355	3.278	5	50	CGBA	
O=c1oc2ccccc2cc1-c1ccc([N+](=O)[O-])cc1	58020	GATDYELJYSMQPH-UHFFFAOYSA-N	267.240	3.368	5	50	CGBA	biogenic
O=C(C[C@H]1OC(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1	99204	HZCOAGLFMSQFSO-OAHLLOKOSA-N	297.266	3.079	5	50	CGBA	
COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1	460997	NIWJRFBOPRCZMD-UHFFFAOYSA-N	270.244	3.412	5	50	CGBA	
O=C(OCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	563750	XGGKHCMCDWGEEN-UHFFFAOYSA-N	275.235	3.091	5	50	CGBA	
CCCNC(=O)c1cc2c(ccc3ccccc32)oc1=N	6854444	VRUUHQYYLIPWMC-UHFFFAOYSA-N	280.327	3.205	5	50	CGBA	
O=[N+]([O-])c1ccc(CN2CCc3ccccc3C2)s1	19537033	QCTWJUIVLGYBAQ-UHFFFAOYSA-N	274.345	3.215	5	50	CGBA	
O=[N+]([O-])c1ccc(OCCC(F)(F)F)c(F)c1	169725323	QORUVHUPYUIFRI-UHFFFAOYSA-N	253.151	3.065	5	50	CGBA	
O=[N+]([O-])C1=Cc2ccccc2O[C@H]1C(Cl)(Cl)Cl	6668627	YXYSGEIJKFSRPM-SECBINFHSA-N	294.521	3.435	5	50	CGBA	
COc1cc([C@@H](C)NC2(C(C)C)CC2)cc([N+](=O)[O-])c1	2325827750	PJUOOCTXYWMPPT-LLVKDONJSA-N	278.352	3.443	5	50	CGBA	
O=[N+]([O-])c1ccsc1N[C@H]1CCc2ncccc2C1	1615585834	MDFGFDAFQFMSIU-JTQLQIEISA-N	275.333	3.021	5	50	CGBA	
Cc1cc([N+](=O)[O-])c(Cl)cc1Br	2169128	RTIUAGUGNIQCLV-UHFFFAOYSA-N	250.479	3.319	5	50	CGBA	
Cc1cc(Cl)cc([N+](=O)[O-])c1I	32914707	WFRAPEVRKRASCC-UHFFFAOYSA-N	297.479	3.161	5	50	CGBA	in-vitro
Cc1ccc(C(=O)NC(C(C)C)C(C)C)cc1[N+](=O)[O-]	453590	CMUYHXUACWPTSB-UHFFFAOYSA-N	278.352	3.314	5	50	CGBA	
COC(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2)c1	74937827	GKHTYTPKNDUBMT-UHFFFAOYSA-N	257.245	3.048	5	50	CGBA	in-vitro
Cc1cc(C(=O)Oc2ccccc2)ccc1[N+](=O)[O-]	149161	SHYWEMLNHFDJBM-UHFFFAOYSA-N	257.245	3.122	5	50	CGBA	
CC(=O)N1c2ccccc2CCc2ccc([N+](=O)[O-])cc21	2896557	LZEJPLZDYOQHSM-UHFFFAOYSA-N	282.299	3.378	5	50	CGBA	
Cc1cc(O)ccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4773494	GAFDNJPYPUDBGS-UHFFFAOYSA-N	289.247	3.261	5	50	CGBA	
O=C(Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl	258593	FZRFSZDOFIEQDY-UHFFFAOYSA-N	290.706	3.429	5	50	CGBA	
O=C(c1ccccc1[N+](=O)[O-])N1CCCc2ccccc21	103185	SKQUFIITEPNXCM-UHFFFAOYSA-N	282.299	3.188	5	50	CGBA	
O=C(N[C@H]1CC=CCC1)c1c(Cl)cccc1[N+](=O)[O-]	172495781	VYHZZAQGVVXMSI-VIFPVBQESA-N	280.711	3.087	5	50	CGBA	
Cc1ccccc1NCC(=O)c1ccc([N+](=O)[O-])cc1	433581	JLWKLIRHPMVXFN-UHFFFAOYSA-N	270.288	3.198	5	50	CGBA	
CC(C)(C)OC(=O)n1c([N+](=O)[O-])cc2ccccc21	36374244	UCHLVDQEISHRBV-UHFFFAOYSA-N	262.265	3.333	5	50	CGBA	
C[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1	4776699	YSBCQYOQISUINO-JTQLQIEISA-N	263.297	3.001	5	50	CGBA	
COc1cccc(C(=O)Nc2c(C)cccc2[N+](=O)[O-])c1	4795722	FDYRWXFDKXLSMG-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1C[C@H]2CC[C@H]1C2	101858473	JGBBQPNRTHIWRY-ATZCPNFKSA-N	278.283	3.109	5	50	CGBA	
COc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1	432809	BCZZJDHMWJMILK-UHFFFAOYSA-N	297.270	3.320	5	50	CGBA	
Cc1nn(Cc2c(F)cccc2Cl)c(C)c1[N+](=O)[O-]	380112	OSCBSQATNAVZAI-UHFFFAOYSA-N	283.690	3.249	5	50	CGBA	
O=c1c2cc(Cl)ccc2oc2cc(O)cc(O)c12	26476454	OHWOAGAHMPEFSA-UHFFFAOYSA-N	262.648	3.011	5	50	CGBA	biogenic
CN(C)CCCn1c(=O)c2ccccc2c2ccccc21	1418	TVPFRFLDGAWGAM-UHFFFAOYSA-N	280.371	3.106	5	50	CGBA	in-man
O=C(Nc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1	298909	CYQWPYUOEOCWPQ-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1C[C@H]2CC[C@H]1C2	101858477	JGBBQPNRTHIWRY-QXEWZRGKSA-N	278.283	3.109	5	50	CGBA	
O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]1c1ccncc1	270979850	VJFQHTGYFNTZSJ-ZDUSSCGKSA-N	287.294	3.470	5	50	CGBA	
Cc1ncc([N+](=O)[O-])n1Cc1ccc(Cl)cc1Cl	34964	KSGGFVJARIYNOO-UHFFFAOYSA-N	286.118	3.455	5	50	CGBA	
Cc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1C	156623	NBDNYHATMBDUEB-UHFFFAOYSA-N	255.273	3.443	5	50	CGBA	
O=C(Nc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1	4814479	AQDCWOLRDVNHLH-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CCC[C@H]2C1	162927429	KMCIVXQBDDXXQD-TXEJJXNPSA-N	289.335	3.167	5	50	CGBA	
Cc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1[N+](=O)[O-]	38995	HSEDMEBEGXMMNU-GFCCVEGCSA-N	284.315	3.394	5	50	CGBA	
CCOC(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12	42245	VCOOUMOKIVCIGI-UHFFFAOYSA-N	284.267	3.482	5	50	CGBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)c(C)o1	608454	VMAITWAKRIQRGG-UHFFFAOYSA-N	274.276	3.365	5	50	CGBA	
Cc1cc(O)cc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1	92390	LBTYZBRVLVNLHU-UHFFFAOYSA-N	286.287	3.170	5	50	CGBA	
Cc1cc(OC(F)F)c([N+](=O)[O-])cc1Br	263623453	HQELGZFXIINOAI-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	4575826	PMUDTJVAMPQLFG-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
COc1cccc(-c2ccc([N+](=O)[O-])cc2)c1OC	725264272	ULAXSCSEQTZRRA-UHFFFAOYSA-N	259.261	3.279	5	50	CGBA	
Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1	1434132	XCFUGJDEVQHPPY-UHFFFAOYSA-N	271.272	3.260	5	50	CGBA	
Cc1ccc([N+](=O)[O-])c(OCCN2CCC(C)CC2)c1	4841864	GRFBGFKZTIJNMI-UHFFFAOYSA-N	278.352	3.014	5	50	CGBA	
Cc1cc([N+](=O)[O-])nn1Cc1ccc(Cl)c(Cl)c1	614323	SQKMMZVWBRUZHT-UHFFFAOYSA-N	286.118	3.455	5	50	CGBA	
O=[N+]([O-])c1ccccc1NC(=S)Nc1ccccc1	4244896	YNLDZXYYXGYXNA-UHFFFAOYSA-N	273.317	3.404	5	50	CGBA	
Cc1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1	38532	YMCGBYDWTGNCGU-UHFFFAOYSA-N	257.245	3.122	5	50	CGBA	
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	260683	DGGPXDZCZMNNJB-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
CC1CCN(C(=S)c2ccc([N+](=O)[O-])cc2)CC1	609874	ZLJFNEYKDTWVNX-UHFFFAOYSA-N	264.350	3.002	5	50	CGBA	
Nc1c(C(=O)c2ccccc2[N+](=O)[O-])oc2ccccc12	34461016	SQDYAXTYGBTQRT-UHFFFAOYSA-N	282.255	3.154	5	50	CGBA	
Cc1c(CSC2CCOCC2)cccc1[N+](=O)[O-]	131158134	HCCYXIQWUVKHOV-UHFFFAOYSA-N	267.350	3.315	5	50	CGBA	
C[C@H](CCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1	453752	UDDNRXADOCPSEH-CYBMUJFWSA-N	298.342	3.346	5	50	CGBA	
O=C(Nc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1	4814475	BTABZSOAIHYGCT-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
CCN(CC)CCCOc1ccc(C)cc1[N+](=O)[O-]	3001303	FXFJAJKLGMNYME-UHFFFAOYSA-N	266.341	3.014	5	50	CGBA	
O=C(CCc1cccs1)Nc1cccc([N+](=O)[O-])c1	4866323	YWPKWJAVDZYXCY-UHFFFAOYSA-N	276.317	3.228	5	50	CGBA	
Cc1ccc([N+](=O)[O-])c(OCCCN2CCC(C)CC2)c1	4869264	ITCUMUOAKAECKC-UHFFFAOYSA-N	292.379	3.404	5	50	CGBA	
O=[N+]([O-])c1ccc(NCn2cnc3ccccc32)cc1	5324216	PZIDAFBRICVWHE-UHFFFAOYSA-N	268.276	3.014	5	50	CGBA	
Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	187149	OJZGTNXZLKZWDC-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
COC(=O)c1cc(-c2cccc(F)c2C)cc([N+](=O)[O-])c1	97757063	JVOGNCSCTPZYRK-UHFFFAOYSA-N	289.262	3.496	5	50	CGBA	
Cc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1	121124	AFLOVMUBGLBLHN-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(F)cc1	318085	LGKCXYYBAOKNAI-UHFFFAOYSA-N	288.278	3.224	5	50	CGBA	
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1O	92419	VVKVQGSNVWKEGK-UHFFFAOYSA-N	286.287	3.170	5	50	CGBA	
Cc1c(C(=O)N[C@H]2CCCC[C@@H]2C)cccc1[N+](=O)[O-]	2883234	WCNVQOKKYWGOMY-GWCFXTLKSA-N	276.336	3.212	5	50	CGBA	
O=[N+]([O-])c1ccc(-n2cnc(Cl)c2Cl)cc1	160952	SDXUKUVBETUBCS-UHFFFAOYSA-N	258.064	3.087	5	50	CGBA	
O=[N+]([O-])c1cc(Cl)cc(Br)c1F	216701898	XJLAZXFXRUYJNM-UHFFFAOYSA-N	254.442	3.150	5	50	CGBA	
O=[N+]([O-])c1cc(Cl)ccc1SC1CCNCC1	43190853	QBKBZUDYLOTZLF-UHFFFAOYSA-N	272.757	3.092	5	50	CGBA	
O=[N+]([O-])c1ccc(CN2CCc3ccccc3C2)cc1	19536230	ZPCZTMXXHZOATF-UHFFFAOYSA-N	268.316	3.153	5	50	CGBA	
O=[N+]([O-])c1ccccc1[C@@H]1CC(c2ccccc2)=NN1	175261	JHZNFRUVABFCJF-AWEZNQCLSA-N	267.288	3.034	5	50	CGBA	
O=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	167775	USANLFHAVKNUIF-UHFFFAOYSA-N	261.208	3.339	5	50	CGBA	
O=C(O)c1sccc1Oc1ccc([N+](=O)[O-])cc1F	2557510	GTQVOWVUQDYRNA-UHFFFAOYSA-N	283.236	3.286	5	50	CGBA	
O=[N+]([O-])[C@H]1CCCCCCCCCC[C@@H]1[N+](=O)[O-]	45068428	YNIYBFNGJQELGI-RYUDHWBXSA-N	258.318	3.192	5	50	CGBA	
COc1ccc(NCc2ccccc2[N+](=O)[O-])cc1OC	279716	CBZWVALEYKDIKA-UHFFFAOYSA-N	288.303	3.224	5	50	CGBA	
COc1ccc(/C=C2\Oc3ccccc3[C@@H]2O)cc1[N+](=O)[O-]	4833737	KINKBFVJZAVRGT-TYWAAFNRSA-N	299.282	3.070	5	50	CGBA	
O=C1O[C@H](/C(=C\Nc2ccccc2)[N+](=O)[O-])c2ccccc21	1391076	NAJAMOYLTWUAJF-IPJDOKCGSA-N	296.282	3.128	5	50	CGBA	
Cc1ccc(C(=O)N(C)c2ccccc2)cc1[N+](=O)[O-]	102944	JKHJBVGAZGHZII-UHFFFAOYSA-N	270.288	3.180	5	50	CGBA	
CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])c(F)c1	116940094	WGKWEHCWQLJIDT-UHFFFAOYSA-N	256.233	3.081	5	50	CGBA	
O=C(/C=C/c1ccccc1)Nc1cccc([N+](=O)[O-])c1	38706	WGBZHIZJROMONE-MDZDMXLPSA-N	268.272	3.247	5	50	CGBA	
COc1ccccc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1	2883791	CNACGEGIHZUCKP-UHFFFAOYSA-N	297.270	3.320	5	50	CGBA	
O=[N+]([O-])c1cc(F)c(Br)cc1OC(F)F	263622725	AIURQKKLRDOFRT-UHFFFAOYSA-N	286.003	3.098	5	50	CGBA	
Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1	103278	PZZACBBPLIOFMI-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
O=C(CCNc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1	446444	AEXQSORQCYRTJF-UHFFFAOYSA-N	288.278	3.419	5	50	CGBA	
C[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1	2822366	CTUPSSVYEBTCNI-ZDUSSCGKSA-N	278.352	3.096	5	50	CGBA	
Cc1nc(Cl)c([N+](=O)[O-])c(C)c1Br	96025019	PSVFNQKLNOBJEX-UHFFFAOYSA-N	265.494	3.023	5	50	CGBA	
C[C@]1(c2ccc([N+](=O)[O-])cc2)NN=C(c2ccccc2)S1	2915180	DBHLSFHIRABFSN-HNNXBMFYSA-N	299.355	3.466	5	50	CGBA	
Cc1cc(C)cc(Cn2cc([N+](=O)[O-])c(C(F)(F)F)n2)c1	170596269	QKKAUYHCAQJGCY-UHFFFAOYSA-N	299.252	3.475	5	50	CGBA	
COc1ccc(NC(=O)c2ccccc2C)c([N+](=O)[O-])c1	4016429	GFPNQHDBSALTEN-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
COc1cccc2cc([N+](=O)[O-])n(C(=O)OC(C)(C)C)c12	261494077	PHXZFUMHYRVALU-UHFFFAOYSA-N	292.291	3.341	5	50	CGBA	
O=[N+]([O-])c1cc(F)c(Br)c(Br)c1	263624284	OYUICYSYHARYGS-UHFFFAOYSA-N	298.893	3.259	5	50	CGBA	
Cc1ccc(CN(C=O)[C@H](C)c2cccnc2)cc1[N+](=O)[O-]	1875326017	XWMHJTLXZPLSJQ-CYBMUJFWSA-N	299.330	3.018	5	50	CGBA	
Cc1cc(-c2nc(-c3cccnc3)no2)ccc1[N+](=O)[O-]	546582	XLOQUHCWZZUMRV-UHFFFAOYSA-N	282.259	3.015	5	50	CGBA	
O=[N+]([O-])c1ccc(OCc2ccccc2)c(F)c1F	88260413	CEPXFJNTZQMVSD-UHFFFAOYSA-N	265.215	3.452	5	50	CGBA	
O=C(CCNc1ccc([N+](=O)[O-])cc1)c1cccs1	5059934	FNVVXVGEDXFFSB-UHFFFAOYSA-N	276.317	3.341	5	50	CGBA	
Cc1ccc2oc(C(F)(F)F)cc(=O)c2c1[N+](=O)[O-]	177623	WEUSXIBCGCFOQR-UHFFFAOYSA-N	273.166	3.028	5	50	CGBA	
O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cccnc1	2880665	YWLZELWKCYKPGQ-UHFFFAOYSA-N	292.678	3.000	5	50	CGBA	
O=C(NCC1CCCCC1)Nc1ccc([N+](=O)[O-])cc1	4776806	PUENJGACFZQBHI-UHFFFAOYSA-N	277.324	3.297	5	50	CGBA	
CC(C)(C)c1onc2c1C(=O)c1cc([N+](=O)[O-])ccc1-2	2518595	YURRUQFOBZNSKR-UHFFFAOYSA-N	272.260	3.092	5	50	CGBA	
CCC(CC)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1	441406	GUIRRRQIGXDXMQ-UHFFFAOYSA-N	250.298	3.278	5	50	CGBA	
CCOP(Cc1ccc([N+](=O)[O-])cc1)OCC	43214633	LMUUVTXUYUZHOQ-UHFFFAOYSA-N	257.226	3.480	5	50	CGBA	
O=[N+]([O-])c1cc(Br)cc(N2CCCCC2)c1	261493778	IZSLMJBGRSETJM-UHFFFAOYSA-N	285.141	3.348	5	50	CGBA	
O=C(Nc1ccccc1)Nc1cc([N+](=O)[O-])ccc1F	358210	VCRWTSUAWNVEPD-UHFFFAOYSA-N	275.239	3.378	5	50	CGBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N(C)C)cc1	4982242	VUXAQYMQAOXLQD-UHFFFAOYSA-N	299.330	3.222	5	50	CGBA	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NO)(C4)C2)C3)cc1	103002335	WSTJFEVTXXOLRJ-JDPPGYRCSA-N	285.387	3.338	5	50	CGBA	
O=[N+]([O-])c1ccc(Cl)cc1CN1CCCCC1	23281452	YVXNXCFXMWJZDJ-UHFFFAOYSA-N	254.717	3.234	5	50	CGBA	
O=[N+]([O-])c1ccc(OCc2cnc(Cl)s2)cc1	1398370	TZRUDDXHSVZKKB-UHFFFAOYSA-N	270.697	3.284	5	50	CGBA	
C[N@+]1(Cc2ccccc2)CCC[C@H]1c1ccc(N)nc1	245380052	PUHXBHUWCKYEFK-OXJNMPFZSA-N	268.384	3.146	5	50	CGBA	biogenic,in-vitro
O=c1c(-c2ccccc2)c1-c1cccc([N+](=O)[O-])c1	1908708296	GCGWVNGGHNIIJP-UHFFFAOYSA-N	251.241	3.165	5	50	CGBA	
Cc1cc(Br)cc([N+](=O)[O-])c1Cl	36532877	APKDWSJHWVOZGA-UHFFFAOYSA-N	250.479	3.319	5	50	CGBA	
CCOC(=O)c1cc(N[C@H](C)CC)c(F)cc1[N+](=O)[O-]	725261723	DOKFIEXKOLSNJC-MRVPVSSYSA-N	284.287	3.121	5	50	CGBA	
O=[N+]([O-])c1ccsc1N[C@@H]1CCc2ncccc2C1	1615585835	MDFGFDAFQFMSIU-SNVBAGLBSA-N	275.333	3.021	5	50	CGBA	
O=c1oc2ccccc2c(Nc2ccccc2)c1[N+](=O)[O-]	17122499	PUDUMDVYKGGXBP-UHFFFAOYSA-N	282.255	3.445	5	50	CGBA	
Cc1ccc(NC(=O)NC2CCCCC2)cc1[N+](=O)[O-]	2172195	PJHUCNLXHGMXRJ-UHFFFAOYSA-N	277.324	3.357	5	50	CGBA	
Cc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)o1	4173252	BKSJPILHDNOBQP-CMDGGOBGSA-N	272.260	3.148	5	50	CGBA	
O=C(Nc1cccc2cccnc12)c1ccccc1[N+](=O)[O-]	293715	FDBABUXYHZAPFQ-UHFFFAOYSA-N	293.282	3.395	5	50	CGBA	
CC(C)Oc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1	3995668	AQFFXPQJLZFABJ-UHFFFAOYSA-N	298.294	3.432	5	50	CGBA	in-vitro
O=[N+]([O-])c1ccc(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1	100296164	OLDMLYOVKIBLLL-CPWXYTRJSA-N	273.332	3.178	5	50	CGBA	
c1csc(-c2nc3nonc3c3nc4ccccc4n23)c1	4626550	KUAHXZNRGAGUFN-UHFFFAOYSA-N	293.311	3.147	5	50	CGBA	
O=C(Oc1ccccc1[N+](=O)[O-])c1ccccc1Cl	70831	SUACWKLKOSWHIV-UHFFFAOYSA-N	277.663	3.467	5	50	CGBA	
COC(=O)c1sccc1Oc1ccc([N+](=O)[O-])cc1F	166262	XMCDPEXMZJSAEQ-UHFFFAOYSA-N	297.263	3.374	5	50	CGBA	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(F)c1	450075	XKIYRSJIVWEAPT-UHFFFAOYSA-N	278.214	3.125	5	50	CGBA	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1	4819895	YJHWAICMEULWPQ-UHFFFAOYSA-N	266.640	3.094	5	50	CGBA	
O=[N+]([O-])c1cc(OC(F)F)cc(OC(F)(F)F)c1	263624104	NKIGODGRRIDLLM-UHFFFAOYSA-N	273.113	3.095	5	50	CGBA	
C[C@@H](c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccn2)no1	472228	FSEIJKADQBGKJJ-JTQLQIEISA-N	296.286	3.192	5	50	CGBA	
O=[N+]([O-])c1c(Br)ccc(F)c1Br	263623924	LWECUIFYNBUYRB-UHFFFAOYSA-N	298.893	3.259	5	50	CGBA	
Cc1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1	436407	RJCIKTALAPRASF-UHFFFAOYSA-N	257.245	3.122	5	50	CGBA	
COc1cc(Br)c(Cl)cc1[N+](=O)[O-]	85476975	KVUZPSBQIMNNOA-UHFFFAOYSA-N	266.478	3.019	5	50	CGBA	in-vitro
CC(C)N(C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C	4776799	JBVATHWEOOAMFQ-UHFFFAOYSA-N	265.313	3.246	5	50	CGBA	
C[C@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]2CC[C@H]1C2	100970450	KKEJRNFFZBCZMW-WBIUFABUSA-N	275.304	3.330	5	50	CGBA	
C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@H]1COc2ccccc21	193487878	IVRQMSJLISFNCG-ZWNOBZJWSA-N	299.330	3.154	5	50	CGBA	
Cc1ccc(NC(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-]	2034302	WCBANESKAVBDIP-LLVKDONJSA-N	277.324	3.310	5	50	CGBA	
O=[N+]([O-])c1ccc(OCCn2cnc3ccccc32)cc1	301617	ZXZRKDWCSMAKBD-UHFFFAOYSA-N	283.287	3.024	5	50	CGBA	
Cc1ccnc(NC(=S)Nc2cccc([N+](=O)[O-])c2)c1	610085	IABWWPBZPYCLTL-UHFFFAOYSA-N	288.332	3.107	5	50	CGBA	
COc1cc(SC(C)C)c(OC)cc1C[C@H](C)[N+](=O)[O-]	261508395	RXXBKDSFQAKEHB-JTQLQIEISA-N	299.392	3.412	5	50	CGBA	
O=C(NC[C@@H]1CC=CCC1)c1cccc(Cl)c1[N+](=O)[O-]	149195241	TVPKEOYIJYQBED-SNVBAGLBSA-N	294.738	3.334	5	50	CGBA	
Cc1occc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	475610	YMWHXCDPERVZRJ-UHFFFAOYSA-N	280.667	3.402	5	50	CGBA	
O=C(Oc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccccc1	22016086	FFVUCQIKJLGTJL-LSDHHAIUSA-N	283.283	3.304	5	50	CGBA	
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1Cl	36342685	GGSBRCMTJJWEGJ-UHFFFAOYSA-N	292.678	3.206	5	50	CGBA	
C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1C[C@H]2CC[C@H]1C2	225396783	MNDUFYGMJAZUIU-AATLWQCWSA-N	267.354	3.288	5	50	CGBA	
O=c1[nH]c2ccccc2nc1/C=C/c1cccc([N+](=O)[O-])c1	13098526	MIDHEQVEQSEWKD-CMDGGOBGSA-N	293.282	3.002	5	50	CGBA	
Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1	103263	ZUQZFNHYVCTIEM-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1C	300500	BVPFTFLSOWTNMX-UHFFFAOYSA-N	260.249	3.057	5	50	CGBA	
Cc1cc(-c2nc(-c3ccncc3)no2)ccc1[N+](=O)[O-]	548790	DEYBTNFSJSEGOJ-UHFFFAOYSA-N	282.259	3.015	5	50	CGBA	
Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-]	253012	KNKJBNAMDFEVAR-UHFFFAOYSA-N	296.326	3.102	5	50	CGBA	
CCC[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	449765	QGWUYHOVFDPGCM-MRVPVSSYSA-N	270.716	3.167	5	50	CGBA	
COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC	8567871	IAAMQNUXRWPNND-UHFFFAOYSA-N	299.286	3.155	5	50	CGBA	
O=[N+]([O-])c1cc(Br)cc(OC(F)(F)F)c1	261493562	DPEUAJNJUIJTKB-UHFFFAOYSA-N	286.003	3.256	5	50	CGBA	
Cc1cccc(C(=O)Nc2ccc(F)c(F)c2)c1[N+](=O)[O-]	465589	DRIRHDYWPYTGTE-UHFFFAOYSA-N	292.241	3.434	5	50	CGBA	
Cc1c(O[C@@H](C)C(=O)O)ccc2c1oc(=O)c1ccccc12	407127	VIIZLJIIHXCDDN-JTQLQIEISA-N	298.294	3.107	5	50	CGBA	
Cc1c(-c2ccccc2)[nH]c(-c2cccc([N+](=O)[O-])c2)[n+]1[O-]	5535711	GTTWJQOMCSZASG-UHFFFAOYSA-N	295.298	3.199	5	50	CGBA	
O=C(O)c1c2ccccc2c(C(=O)O)c2ccccc12	8468078	FDFGHPKPHFUHBP-UHFFFAOYSA-N	266.252	3.389	5	50	CGBA	
CC(C)CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	8994385	ZOBQBSPDZKNQOV-UHFFFAOYSA-N	279.321	3.189	5	50	CGBA	
CCS[C@@H]1CCCCN(c2ncc([N+](=O)[O-])s2)C1	192453764	JJYALYPXBUSTMH-SECBINFHSA-N	287.410	3.163	5	50	CGBA	
CCOC(=O)c1sc2ccc([N+](=O)[O-])cc2c1C	1701068	ZLSYFCRPOHWMHJ-UHFFFAOYSA-N	265.290	3.295	5	50	CGBA	
CC(=O)Nc1ccc2cc3ccc(NC(C)=O)cc3nc2c1	4365786	IPBVFYCAVIISQF-UHFFFAOYSA-N	293.326	3.305	5	50	CGBA	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F	299290	UXDNICZOKVUVJJ-UHFFFAOYSA-N	292.241	3.054	5	50	CGBA	
O=C(NC1CCCCCCC1)c1ccccc1[N+](=O)[O-]	5771672	KZMKDRNYTPWONN-UHFFFAOYSA-N	276.336	3.438	5	50	CGBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cn1	5073395	KTPLJGAPGKYFLS-UHFFFAOYSA-N	292.682	3.287	5	50	CGBA	
CCCCN(C)Cc1cc(Cl)ccc1[N+](=O)[O-]	55292290	YATXEZYQSWCASP-UHFFFAOYSA-N	256.733	3.480	5	50	CGBA	
Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1	300668	VPYGCGLFZVMTRP-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
CC(=O)c1cc(C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	1944639	TWRMLKRWFRJEIL-UHFFFAOYSA-N	299.282	3.325	5	50	CGBA	
O=C(Cc1cccs1)Nc1ccc(Cl)c([N+](=O)[O-])c1	443668	VTPMVTXUMWDGPD-UHFFFAOYSA-N	296.735	3.491	5	50	CGBA	
O=C(OCc1ccccc1F)c1ccc([N+](=O)[O-])cc1	6679293	LJVFYXKGFKINFM-UHFFFAOYSA-N	275.235	3.091	5	50	CGBA	
Cc1csc(C(C)(C)NCc2ccccc2[N+](=O)[O-])n1	118849099	RUDSLGWJKUOGGQ-UHFFFAOYSA-N	291.376	3.385	5	50	CGBA	
CCOc1cc([N+](=O)[O-])c(F)c(C(F)(F)F)c1	261494287	UGGZRMQUNHVLCU-UHFFFAOYSA-N	253.151	3.151	5	50	CGBA	
CN1[C@H]2CCCC[C@H]1[C@@H](CC[N+](C)(C)C)CCC2	101042621	RPCGKTNVLRSHRQ-PMPSAXMXSA-N	253.454	3.126	5	50	CGBA	
O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	35745	YLWXKADRQFEWGM-UHFFFAOYSA-N	251.625	3.321	5	50	CGBA	in-vitro
Cc1cc([C@H](C)Nc2ncc([N+](=O)[O-])s2)c(C)o1	189685334	FEXJWYWLCWZRNX-ZETCQYMHSA-N	267.310	3.434	5	50	CGBA	
O=[N+]([O-])c1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1	432435	YPVGQAHRBVUJCR-CQSZACIVSA-N	285.328	3.292	5	50	CGBA	
CC(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1	4619686	MOTKFEJFBIZVJQ-UHFFFAOYSA-N	285.303	3.366	5	50	CGBA	
Cc1ccc2c(c1)[C@@H](c1ccccc1[N+](=O)[O-])CC(=O)N2	84792	GCQHIQGSYBZUNV-GFCCVEGCSA-N	282.299	3.377	5	50	CGBA	
CC(=O)c1nc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1	292956	KFUBZCUATBGOJW-UHFFFAOYSA-N	295.298	3.195	5	50	CGBA	
COC(=O)c1cc2c(c([N+](=O)[O-])c1)Oc1ccccc1O2	8816509	JYLAMTJIBGZHLT-UHFFFAOYSA-N	287.227	3.279	5	50	CGBA	
O=[N+]([O-])c1ccc(SCCOCC(F)F)c(F)c1	252482573	DJJQIVYXYHJZAO-UHFFFAOYSA-N	281.255	3.108	5	50	CGBA	
O=C(/C=C/c1cccs1)Nc1cccc([N+](=O)[O-])c1	473244	QWQZOPMFZQNFOB-VOTSOKGWSA-N	274.301	3.308	5	50	CGBA	
CCN(CC)c1cc(N2CCCC2)c([N+](=O)[O-])cc1F	4185309	QNYNRPBRJSQFBI-UHFFFAOYSA-N	281.331	3.180	5	50	CGBA	
Cc1cccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1	4010911	UVQGKAMVTRIGRT-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
CC(C)N(C)C(=O)[C@H](C)SCc1ccc([N+](=O)[O-])cc1	131370110	XAVLOBQMZDDSDV-NSHDSACASA-N	296.392	3.083	5	50	CGBA	
O=[N+]([O-])c1cc(F)cc(F)c1OCc1ccccc1	167803410	ZKXASDRVMJNTBH-UHFFFAOYSA-N	265.215	3.452	5	50	CGBA	
CCOC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1	34529356	WCZWAMAIMGEQNT-UHFFFAOYSA-N	271.272	3.439	5	50	CGBA	in-vitro
C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-]	148783258	FWSARODNIFWDLV-SECBINFHSA-N	266.297	3.181	5	50	CGBA	
COc1ccc(C(=O)Nc2ccccc2C)cc1[N+](=O)[O-]	103382	XKNDERYBWJOZJV-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
COc1ccc([N+](=O)[O-])cc1CSc1ccccn1	469443	KKMOGLYJJJOFAJ-UHFFFAOYSA-N	276.317	3.291	5	50	CGBA	
c1ccc2c(c1)c1ccccc1c1nc3nonc3nc21	4151829	ZIBYFZQDEOXLBM-UHFFFAOYSA-N	272.267	3.472	5	50	CGBA	
CC[N+](C)(CC)C[C@@H](O)COc1ccc2ccccc2c1	4714723	NFHSQGOUDHZZTR-QGZVFWFLSA-N	288.411	3.066	5	50	CGBA	
Cc1cc(NC[C@H](C(F)F)n2cccn2)ccc1[N+](=O)[O-]	1615549916	ONIWJPNIYCXSCX-GFCCVEGCSA-N	296.277	3.018	5	50	CGBA	
C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl	4010576	GGPDJCZDHJKDNU-VIFPVBQESA-N	282.727	3.263	5	50	CGBA	
Cc1cc2nc3ccc(N(C)C)cc3sc-2cc1=N	100389510	KZEUBCUXBNEMSQ-UHFFFAOYSA-N	269.373	3.255	5	50	CGBA	
O=[N+]([O-])c1ccccc1-c1nc(-c2cccs2)no1	1420890	NSENBUQCKIPWKZ-UHFFFAOYSA-N	273.273	3.373	5	50	CGBA	
O=C1CCCc2occ(-c3ccc([N+](=O)[O-])cc3)c21	208918	RKAJSRVADVNWBF-UHFFFAOYSA-N	257.245	3.374	5	50	CGBA	
CC[N+](C)(C)CC[N@+](C)(CC)Cc1cc2ccccc2o1	245231550	GATRIJUKKNLVDE-FQEVSTJZSA-N	290.451	3.496	5	50	CGBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1	290668	ZRAHJSNRTQCTBP-RUDMXATFSA-N	286.262	3.386	5	50	CGBA	
CN(Cc1ccccc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	445126	VDESPOCMEYSKBK-FMIVXFBMSA-N	296.326	3.267	5	50	CGBA	
Cc1ccc(NC(=O)C2CCCCC2)c([N+](=O)[O-])c1	15777547	PGNZXQDBGJIYKO-UHFFFAOYSA-N	262.309	3.422	5	50	CGBA	
C[N+](C)(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	6417290	IZPHPMYPFGYCTJ-UHFFFAOYSA-N	261.301	3.061	5	50	CGBA	
O=C(Nc1cc(O)cc([N+](=O)[O-])c1)OCc1ccccc1	261494382	WGBJZQVMFGLCMX-UHFFFAOYSA-N	288.259	3.049	5	50	CGBA	
CC(=O)n1c2ccc([N+](=O)[O-])cc2c2cc([N+](=O)[O-])ccc21	3129978	JQKAYULRADOOCK-UHFFFAOYSA-N	299.242	3.271	5	50	CGBA	
CC[n+]1ccccc1/C=C/c1cccc([N+](=O)[O-])c1	4774995	PSPOSUBAKSGDDM-MDZDMXLPSA-N	255.297	3.073	5	50	CGBA	
CC(C)(C)OC(=O)n1cc(C[N+](C)(C)C)c2cccnc21	57990052	KMUGGRUUANMQDB-UHFFFAOYSA-N	290.387	3.026	5	50	CGBA	
O=[N+]([O-])c1cc(F)c(OC(F)F)cc1Br	263623183	FKYKUAVNGOZKAG-UHFFFAOYSA-N	286.003	3.098	5	50	CGBA	
CCCOc1ccc([N+](=O)[O-])cc1Br	74937712	PUDSNKROJBEMKJ-UHFFFAOYSA-N	260.087	3.146	5	50	CGBA	in-vitro
O=C1O[C@@H](/C(=C\Nc2ccccc2)[N+](=O)[O-])c2ccccc21	1391074	NAJAMOYLTWUAJF-YVGNARHYSA-N	296.282	3.128	5	50	CGBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(F)cc1	4819590	GQCPNZPAQVSURO-UHFFFAOYSA-N	288.278	3.224	5	50	CGBA	
Cc1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1[N+](=O)[O-]	17719501	WHYBMUHSHMSFGC-TXEJJXNPSA-N	276.336	3.306	5	50	CGBA	
Cc1ccc(NC(=O)c2ccoc2C)c([N+](=O)[O-])c1	4905091	NNHMDOZUTCEMRM-UHFFFAOYSA-N	260.249	3.057	5	50	CGBA	
COc1ccccc1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1	78492	VIMZNTGNBBTJJE-UHFFFAOYSA-N	297.270	3.320	5	50	CGBA	
O=C(O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1	4846154	JIBFWXYFXWPTQF-UHFFFAOYSA-N	264.281	3.038	5	50	CGBA	
COC[C@@]1(C2CC2)CCCN1c1cc(C)ccc1[N+](=O)[O-]	2325748804	SSAQNDNVWBRFJO-MRXNPFEDSA-N	290.363	3.299	5	50	CGBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccs1	240616	UAWSKUQDCFKEEM-UHFFFAOYSA-N	262.290	3.217	5	50	CGBA	
Cc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	465102	MSRRQFGXLDUORN-UHFFFAOYSA-N	270.288	3.084	5	50	CGBA	
C[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1	4988593	XRSWHNYXGSHRDF-SNVBAGLBSA-N	268.744	3.480	5	50	CGBA	
CN(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	4982077	VVNSMQIUUUPQFK-UHFFFAOYSA-N	273.248	3.271	5	50	CGBA	
Nc1c(C(=O)c2ccccc2)oc2cc([N+](=O)[O-])ccc12	2581161	VBCOORLNGQAWSF-UHFFFAOYSA-N	282.255	3.154	5	50	CGBA	in-vitro
O=c1c2ccc(Cl)cc2oc2cc(O)cc(O)c12	26476485	HDBLWAZZCGXSBL-UHFFFAOYSA-N	262.648	3.011	5	50	CGBA	biogenic
Cc1ccsc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	370762	KVINREPTTIADQN-UHFFFAOYSA-N	280.280	3.356	5	50	CGBA	
COc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1C=O	220196260	JHTZATCRQQXCCF-UHFFFAOYSA-N	257.245	3.083	5	50	CGBA	
O=C(O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1F	48772755	ZBLCAFGFFSUWNE-UHFFFAOYSA-N	261.208	3.099	5	50	CGBA	in-vitro
Cc1ncc(CCNc2ccc([N+](=O)[O-])cc2Cl)o1	1775989455	AZJZBBWKEWVNJM-UHFFFAOYSA-N	281.699	3.199	5	50	CGBA	
C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl	300499	GGPDJCZDHJKDNU-SECBINFHSA-N	282.727	3.263	5	50	CGBA	
C[C@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21	193487834	IVRQMSJLISFNCG-GWCFXTLKSA-N	299.330	3.154	5	50	CGBA	
O=[N+]([O-])c1ccc2c(c1)ncn2CCc1ccccc1	1060809	STRPGOKXXQCJHS-UHFFFAOYSA-N	267.288	3.187	5	50	CGBA	
O=[N+]([O-])c1ccc(Oc2ccccc2)c([N+](=O)[O-])c1	1712520	HQFCELSVOFCACS-UHFFFAOYSA-N	260.205	3.295	5	50	CGBA	
CC[C@](C)(c1ccc([N+](=O)[O-])cc1)C(C)(C)[N+](=O)[O-]	3080651	MECZACIVDFZVTL-CYBMUJFWSA-N	266.297	3.318	5	50	CGBA	
O=[N+]([O-])[C@@H]1CCCCCCCCCC[C@H]1[N+](=O)[O-]	45068425	YNIYBFNGJQELGI-VXGBXAGGSA-N	258.318	3.192	5	50	CGBA	
O=[N+]([O-])c1cc(N2CCSCC2)ccc1C(F)(F)F	589108524	WFLJEESMZJUPDX-UHFFFAOYSA-N	292.282	3.167	5	50	CGBA	
Cc1ccc(-c2nc3ccccc3c(=O)o2)cc1[N+](=O)[O-]	175578	HPHFPUNOXDNDBD-UHFFFAOYSA-N	282.255	3.072	5	50	CGBA	
O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	1761021	AXTMBFKLHOZCDO-UHFFFAOYSA-N	288.215	3.108	5	50	CGBA	
Cc1nc(Cl)nc(Nc2ccccc2)c1[N+](=O)[O-]	3878086	ZWRLOQXSVGFCJE-UHFFFAOYSA-N	264.672	3.090	5	50	CGBA	
O=[N+]([O-])c1cc(OCc2ccccc2)c(F)cc1F	60148804	KLYRDPKOZGWJKC-UHFFFAOYSA-N	265.215	3.452	5	50	CGBA	
CCC1(C)COC(c2ccc([N+](=O)[O-])cc2)OC1	5524503	WLLDZCSYOXQNDX-UHFFFAOYSA-N	251.282	3.057	5	50	CGBA	
CN(C(=O)OC(C)(C)C)c1cc([N+](=O)[O-])cnc1Cl	261494326	UZPUNYVFKINGJN-UHFFFAOYSA-N	287.703	3.015	5	50	CGBA	
O=[N+]([O-])/C(=C\Sc1ccccn1)c1ccccc1	45637	MINGKRFOXSPJKB-BENRWUELSA-N	258.302	3.449	5	50	CGBA	
O=C(O)c1ccc(F)c(-c2cccc([N+](=O)[O-])c2)c1	65350792	SHEKDQWBZBUPQF-UHFFFAOYSA-N	261.208	3.099	5	50	CGBA	in-vitro
COc1cc(-c2cc(=O)c3ccccc3o2)ccc1[N+](=O)[O-]	83428610	PXYZRNAKLZWNCF-UHFFFAOYSA-N	297.266	3.377	5	50	CGBA	in-vitro
C[C@H]1CC[C@@H](/C=C/Nc2cccc([N+](=O)[O-])c2)C1=O	1776111264	KFFHBUCWFMCQMS-IJUHFESZSA-N	260.293	3.136	5	50	CGBA	
COc1ccc(C(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1	4986022	JIBFTDBUEBKBHQ-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(F)cc1	4412199	KQOZMCVNNKGVPK-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
O=[N+]([O-])c1cc(F)ccc1OCc1ccc(F)cc1	102599468	JFVFGABZKMSNBD-UHFFFAOYSA-N	265.215	3.452	5	50	CGBA	
Cc1ccc(C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1[N+](=O)[O-]	100647601	MUIITBPPNOOWNI-QJRTVWDNSA-N	287.359	3.486	5	50	CGBA	
CNc1ccc(Br)c(C(F)(F)F)c1[N+](=O)[O-]	396142476	QUHRRKFAGJLOFE-UHFFFAOYSA-N	299.046	3.418	5	50	CGBA	
Cc1cccc(C)c1NC(=O)c1ccccc1[N+](=O)[O-]	53929	WKUWPDCXHHCYTC-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
COc1cc(CNc2ccccc2)c([N+](=O)[O-])cc1OC	263280	QLYMKBTYZRVWQY-UHFFFAOYSA-N	288.303	3.224	5	50	CGBA	
Nc1cc(Sc2ccc(F)cc2)cc([N+](=O)[O-])c1	265779	BEJBRMJZDNGXEO-UHFFFAOYSA-N	264.281	3.467	5	50	CGBA	
CC[N+](C)(C)CC[N@@+](C)(CC)Cc1cc2ccccc2o1	245231551	GATRIJUKKNLVDE-HXUWFJFHSA-N	290.451	3.496	5	50	CGBA	
COc1ccc(Oc2nc3sccn3c2[N+](=O)[O-])cc1	1395929	YJLOZMVGOSTBBN-UHFFFAOYSA-N	291.288	3.105	5	50	CGBA	
CNc1ccc(Br)c(Cl)c1[N+](=O)[O-]	231467960	ABLKWBCLRYCIHE-UHFFFAOYSA-N	265.494	3.052	5	50	CGBA	
COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	106764	YKKWDCDQTMQFQI-RVDMUPIBSA-N	283.283	3.308	5	50	CGBA	
Cc1csc(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1	2870520	NWYAFMPLVCHNAK-UHFFFAOYSA-N	294.357	3.335	5	50	CGBA	
O=[N+]([O-])c1cc(F)c(N2CCCC2)cc1N1CCCCC1	4183931	GKEPGNPWYGNOGV-UHFFFAOYSA-N	293.342	3.324	5	50	CGBA	
Nc1cc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1	451451	HPMXTCWUUVDDHY-UHFFFAOYSA-N	280.287	3.030	5	50	CGBA	
Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1	38477	SMNPQMRIWHLJOX-UHFFFAOYSA-N	257.245	3.122	5	50	CGBA	
CC(C)COc1cc(Br)cc([N+](=O)[O-])c1	261493699	HIXWQKQTBNDQBI-UHFFFAOYSA-N	274.114	3.392	5	50	CGBA	
O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12	1219	ZZIALNLLNHEQPJ-UHFFFAOYSA-N	268.224	3.104	5	50	CGBA	endogenous,in-man
O=Cc1cn(Cc2ccccc2[N+](=O)[O-])c2ccccc12	307659	KGEHIKOXSFFTHC-UHFFFAOYSA-N	280.283	3.410	5	50	CGBA	
Cc1cc(C(=O)Nc2ccccc2F)ccc1[N+](=O)[O-]	437438	ORXYYCUQNFRDPG-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
COc1cccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)c1	4811018	ZYAFJLLOMLJIDS-UHFFFAOYSA-N	297.270	3.320	5	50	CGBA	
Cc1cc(Br)c(OC(F)F)cc1[N+](=O)[O-]	263623854	LHOSIVPZHDMXEW-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(F)cc(F)c1	4740665	SFEKPNLYBXGMFL-UHFFFAOYSA-N	292.241	3.054	5	50	CGBA	
Cc1cc(C(=O)Nc2ccccc2[N+](=O)[O-])cs1	4749232	MVXFVKDLDTUZND-UHFFFAOYSA-N	262.290	3.217	5	50	CGBA	
COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1	455450	YAYDLPJDWKODDL-UHFFFAOYSA-N	297.270	3.320	5	50	CGBA	
CCc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1	460455	BSCVPHMFPNAWOK-UHFFFAOYSA-N	284.315	3.338	5	50	CGBA	
O=c1c(-c2ccc([N+](=O)[O-])cc2)coc2cc(O)ccc12	5010172	CEESSYSSRMOMDE-UHFFFAOYSA-N	283.239	3.074	5	50	CGBA	biogenic
C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1COc2ccccc21	192510509	FIVMJVMRTJETKU-PSASIEDQSA-N	291.332	3.028	5	50	CGBA	
O=[N+]([O-])c1cccc(C(F)(F)F)c1Br	16159340	DCGZVTANWJKOPM-UHFFFAOYSA-N	270.004	3.376	5	50	CGBA	in-vitro
COC(=O)Nc1ccc(C(C)(C)C)cc1[N+](=O)[O-]	4257918	IBMCKWILJIGJKJ-UHFFFAOYSA-N	252.270	3.071	5	50	CGBA	
C[C@H](CNC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1	2858498	FIDBVIGZDMSOQJ-SNVBAGLBSA-N	290.344	3.190	5	50	CGBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1	3897253	KDMFKOCHLDSHAO-UHFFFAOYSA-N	293.282	3.395	5	50	CGBA	
Cc1cc(OC(F)F)cc(Br)c1[N+](=O)[O-]	263622983	CPUQUXJNBQUQCI-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
C[C@H](C(=O)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1	471392	TWCXXEZTIUGOES-LBPRGKRZSA-N	296.326	3.288	5	50	CGBA	
Cc1occc1C(=O)Nc1cccc([N+](=O)[O-])c1C	1052148	UKCSXYDTLJQIIT-UHFFFAOYSA-N	260.249	3.057	5	50	CGBA	
O=C(NCCC1=CCCCC1)c1cccc([N+](=O)[O-])c1	38848	ICWIBITZFMNCNM-UHFFFAOYSA-N	274.320	3.215	5	50	CGBA	
C[C@@H](Nc1cc(N)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21	193487847	IVRQMSJLISFNCG-MFKMUULPSA-N	299.330	3.154	5	50	CGBA	
O=[N+]([O-])c1cccc(CN2CCCC[C@@H]2c2cn[nH]c2)c1	114484597	KCLBWQWKTCIONV-OAHLLOKOSA-N	286.335	3.045	5	50	CGBA	
O=[N+]([O-])c1ccc(Sc2ccc(F)cc2)nc1	334901	IUSQSKCUZCNQRM-UHFFFAOYSA-N	250.254	3.280	5	50	CGBA	
O=[N+]([O-])c1cnn(CSc2nc3ccccc3s2)c1	2766589	DILMIZUKHVAQKY-UHFFFAOYSA-N	292.345	3.151	5	50	CGBA	
O=[N+]([O-])c1cc(Cl)c2c(cnn2Cc2cccnc2)c1	225578879	ZHHYJIRPGKBTJB-UHFFFAOYSA-N	288.694	3.041	5	50	CGBA	
COc1c(Cl)cc(Br)cc1[N+](=O)[O-]	575677708	NESQKIOPMZAINF-UHFFFAOYSA-N	266.478	3.019	5	50	CGBA	
CC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	101755	GLOBABIVZZHEBA-UHFFFAOYSA-N	284.271	3.050	5	50	CGBA	
C[N+](C)([O-])c1ccc(N[N+](=O)c2ccccc2)cc1	409415861	QJIKMQOZZBHDLL-UHFFFAOYSA-N	258.301	3.189	5	50	CGBA	
Cc1c(NC(=O)CC(C)(C)C)cccc1[N+](=O)[O-]	2843964	PPVHWUVBCFXSOP-UHFFFAOYSA-N	250.298	3.278	5	50	CGBA	
CCC[N+]1(CCCCCC[N+](C)(C)C)CCCC1	606422214	LCJPVLIANDHZQH-UHFFFAOYSA-N	256.478	3.274	5	50	CGBA	
O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O	4014049	CDYKTFABNOULII-UHFFFAOYSA-N	292.678	3.206	5	50	CGBA	
Cc1cccc(Nc2ccc([N+](=O)[O-])c3nonc23)c1	4245013	AERMKZCGOZZNCP-UHFFFAOYSA-N	270.248	3.183	5	50	CGBA	
Cc1cnc(OC[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1	359612925	IGYRUSRWQOXQAS-SRVKXCTJSA-N	262.309	3.113	5	50	CGBA	
C[C@H]1CC(C)(C)C[C@@](Br)([N+](=O)[O-])C1	958528864	XEKBCHSLQYFJLS-CBAPKCEASA-N	250.136	3.201	5	50	CGBA	
CC(=O)n1c2ccccc2c2cc([N+](=O)[O-])ccc21	4010874	YGPZTMZYXJDGSK-UHFFFAOYSA-N	254.245	3.363	5	50	CGBA	
Cc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1C	4310081	DTUMVTSZCXZKMJ-UHFFFAOYSA-N	284.315	3.142	5	50	CGBA	
CCCCN(CC)C(=O)c1cccc(C)c1[N+](=O)[O-]	2833295	PBVYPKSJROZZTI-UHFFFAOYSA-N	264.325	3.165	5	50	CGBA	
CC(C)(C)OC(=O)n1c([N+](=O)[O-])cc2cc(F)ccc21	261493695	HFUYMGABEWMRPK-UHFFFAOYSA-N	280.255	3.472	5	50	CGBA	
Cc1cc2nc(-c3ccc(F)cc3)cn2cc1[N+](=O)[O-]	1775971320	YVXLSOYDZBCPHT-UHFFFAOYSA-N	271.251	3.357	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2nc(Cc3ccccc3)no2)cc1	191628	BHHBKRRLACCLIE-UHFFFAOYSA-N	281.271	3.236	5	50	CGBA	
Cc1ccc2c(c1)N=C(c1ccc([N+](=O)[O-])cc1)CO2	1404539	YSVJRRGYSMLMHL-UHFFFAOYSA-N	268.272	3.416	5	50	CGBA	
CC(C)[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ncc[nH]1	285692295	QRXIXIBWPULUHZ-JTQLQIEISA-N	295.730	3.176	5	50	CGBA	
COc1ccc([N+](=O)[O-])c(NCc2ccccc2)c1	95494748	UKAAVHGZDIRSEM-UHFFFAOYSA-N	258.277	3.216	5	50	CGBA	in-vitro
COC(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-]	5669593	DRNPBJRFJLBSPE-UHFFFAOYSA-N	266.036	3.047	5	50	CGBA	
C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	288710	SDCFKPZPGFJOSW-UWVGGRQHSA-N	296.754	3.366	5	50	CGBA	
COc1ccc2c(c1)c(=O)oc1c(C)c(OC(C)=O)ccc12	451470	ZAJODNUDTZPJBJ-UHFFFAOYSA-N	298.294	3.189	5	50	CGBA	
O=C(O)Cc1cc(=O)oc2c1cc(Cl)c1ccccc12	44123423	JIRDSSMLFGKRFH-UHFFFAOYSA-N	288.686	3.227	5	50	CGBA	
COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)ccc1F	85210155	NGXUIJAERLJZTN-UHFFFAOYSA-N	275.235	3.188	5	50	CGBA	in-vitro
CCCCNc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]	4054660	KBKNKPRDTRWITD-UHFFFAOYSA-N	253.258	3.023	5	50	CGBA	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F	460144	GOABLZATCVYTHT-UHFFFAOYSA-N	293.225	3.230	5	50	CGBA	
CCCCNCCCCOc1ccccc1[N+](=O)[O-]	2901295	NXQZAZHPIYACJZ-UHFFFAOYSA-N	266.341	3.144	5	50	CGBA	
O=[N+]([O-])c1ccc(-c2noc(COc3ccccc3)n2)cc1	459874	ZNKZBSHETDBEAJ-UHFFFAOYSA-N	297.270	3.224	5	50	CGBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CCC[C@H]2C1	162927661	KMCIVXQBDDXXQD-RYUDHWBXSA-N	289.335	3.167	5	50	CGBA	
COc1ccc2cc([N+](=O)[O-])n(C(=O)OC(C)(C)C)c2c1	261493472	BVXHYJKYHLCBRO-UHFFFAOYSA-N	292.291	3.341	5	50	CGBA	
CC(C)(C)C(=O)COc1ccc([N+](=O)[O-])cc1Cl	37974516	YJJVHKPUKRFGJM-UHFFFAOYSA-N	271.700	3.242	5	50	CGBA	in-vitro
Cc1cc(NC[C@@H](C(F)F)n2cccn2)ccc1[N+](=O)[O-]	1615549924	ONIWJPNIYCXSCX-LBPRGKRZSA-N	296.277	3.018	5	50	CGBA	
O=C(c1cccc([N+](=O)[O-])c1)N1CCCc2ccccc21	103298	JEFAEVLMNMGRDL-UHFFFAOYSA-N	282.299	3.188	5	50	CGBA	
CCc1csc([C@H](C)Nc2nccc(C)c2[N+](=O)[O-])n1	585092433	WOZRWOICKQAJGF-VIFPVBQESA-N	292.364	3.490	5	50	CGBA	
Cc1cc(C)nc(Nc2cc([N+](=O)[O-])ccc2C)n1	150105	PUQVHMYUVBUJGI-UHFFFAOYSA-N	258.281	3.054	5	50	CGBA	
CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	449748	WGKCRNUHNWGSDQ-QMMMGPOBSA-N	270.716	3.167	5	50	CGBA	
Cc1cc(OCCCN2CCC[C@H](C)C2)ccc1[N+](=O)[O-]	2823320	LCMHCDCFEGJVCG-ZDUSSCGKSA-N	292.379	3.404	5	50	CGBA	
O=C1O[C@H](O)c2cccc3ccc4cccc1c4c23	32236565	FHNQXICDGGUJIP-HNNXBMFYSA-N	250.253	3.154	5	50	CGBA	
O=[N+]([O-])c1ccc(CSCCc2ccccn2)cc1	13282902	RFSFXFKZKDGYGK-UHFFFAOYSA-N	274.345	3.466	5	50	CGBA	
CCN(CC)CCCCOc1ccccc1[N+](=O)[O-]	2880494	HCVCJNOHOPGLPR-UHFFFAOYSA-N	266.341	3.096	5	50	CGBA	
COc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1	5542887	GCJWJJDWCJFVDI-UHFFFAOYSA-N	286.287	3.164	5	50	CGBA	
CCc1cc([N+](=O)[O-])cc(CC)c1Br	238332004	CCTUNNGDUSBZKS-UHFFFAOYSA-N	258.115	3.482	5	50	CGBA	
O=[N+]([O-])c1ccccc1[C@H]1CC(c2ccccc2)=NN1	175260	JHZNFRUVABFCJF-CQSZACIVSA-N	267.288	3.034	5	50	CGBA	
Cc1csc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1	433119	VEMSMOIHTDXZJN-UHFFFAOYSA-N	297.723	3.265	5	50	CGBA	
O=[N+]([O-])c1ccc([C@H]2NN=C(Cc3ccccc3)S2)cc1	432400	WBUDSFZVSCFEFR-HNNXBMFYSA-N	299.355	3.486	5	50	CGBA	
C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-]	454760	XICOIGOYGLGAKZ-ZDUSSCGKSA-N	298.342	3.346	5	50	CGBA	
O=[N+]([O-])c1cccc(-c2noc(-c3cccs3)n2)c1	150544	SQURSOAJNRVVBR-UHFFFAOYSA-N	273.273	3.373	5	50	CGBA	in-vitro
Cc1cccc(C(=O)Nc2ccccc2F)c1[N+](=O)[O-]	465408	QPTMNZPMNRLXKZ-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
CCOC(=O)c1c(C)nc2c(c1C)c(=N)oc1ccccc12	4693693	TWEWBQDHCIZXBC-UHFFFAOYSA-N	296.326	3.254	5	50	CGBA	
Cc1cc([N+](=O)[O-])cc(Cl)c1Br	114705222	UETMZIKJERIBQM-UHFFFAOYSA-N	250.479	3.319	5	50	CGBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1ccccc1	4012183	VQBXJAHKWCTDEL-HUUCEWRRSA-N	282.299	3.337	5	50	CGBA	
O=C(O)c1ccc(-c2cc(F)cc([N+](=O)[O-])c2)cc1	95495527	VGANQJCATYIEPZ-UHFFFAOYSA-N	261.208	3.099	5	50	CGBA	
O=[N+]([O-])c1nn(Cc2c(F)cccc2Cl)cc1Cl	614326	DGAUGLWEELWTAV-UHFFFAOYSA-N	290.081	3.286	5	50	CGBA	
CCOC(=O)c1cccc(/C=C/c2ccc([N+](=O)[O-])cc2)n1	5048072	RAJAITRNDLKKLC-RMKNXTFCSA-N	298.298	3.337	5	50	CGBA	
Cc1ccc(C)c(NC(=O)c2ccccc2[N+](=O)[O-])c1	101893	IGUIIBFKJFKXRE-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
Cc1c(C(=O)Nc2ccc(F)cc2)cccc1[N+](=O)[O-]	102226	NQPXCRXCEDUNCQ-UHFFFAOYSA-N	274.251	3.295	5	50	CGBA	
C[N@@+]1(CCO)Cc2sc3ccc(Cl)cc3c2C1	248033824	MCCRVVXXYSKXAG-HNNXBMFYSA-N	268.789	3.007	5	50	CGBA	
C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1	312861	SHVVBQJXZMCDAX-NSHDSACASA-N	299.282	3.023	5	50	CGBA	
O=c1oc2c3ccccc3oc(=O)c2c2ccccc12	129814	CQOQPUAAVDHXQM-UHFFFAOYSA-N	264.236	3.053	5	50	CGBA	
O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1	23894	OLUKILHGKRVDCT-UHFFFAOYSA-N	293.282	3.238	5	50	CGBA	in-vivo
CCc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1	4841677	IDEKSGGCRVARDP-UHFFFAOYSA-N	270.288	3.410	5	50	CGBA	
O=[N+]([O-])c1ccc(C(F)(F)F)cc1Br	16158966	DJOLBPUSSIOMKU-UHFFFAOYSA-N	270.004	3.376	5	50	CGBA	in-vitro
Cc1cc(C(=O)OCc2ccc(F)cc2)ccc1[N+](=O)[O-]	5059703	KYHHQHCBKREPCT-UHFFFAOYSA-N	289.262	3.399	5	50	CGBA	
C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1	264260	QLGKQCQBGWYTSN-LBPRGKRZSA-N	284.315	3.015	5	50	CGBA	
Cc1ccc(Br)c(OC(F)F)c1[N+](=O)[O-]	263623357	GTTILAYAAJLFQC-UHFFFAOYSA-N	282.040	3.267	5	50	CGBA	
C[C@H]1C[C@H](C)CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1	465232	VFIFRHCLZDRSDO-FVWNJDPFSA-N	288.347	3.113	5	50	CGBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1	4600072	HTHDLNDPJIVSCW-UHFFFAOYSA-N	256.261	3.156	5	50	CGBA	
CC(=O)Nc1cc2oc3ccccc3c2cc1[N+](=O)[O-]	4705909	ZGFSVBVVTQVEPD-UHFFFAOYSA-N	270.244	3.453	5	50	CGBA	
Cc1ccccc1-c1cnn(-c2cccc([N+](=O)[O-])c2)c1N	2508456	XKYCIXVYRYVXPE-UHFFFAOYSA-N	294.314	3.338	5	50	CGBA	
Cc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1	5362986	BVKJXQZBXGVYSS-UHFFFAOYSA-N	270.288	3.464	5	50	CGBA	
CC(=O)c1cccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	60946	WCYHOEWXJJNWOS-UHFFFAOYSA-N	299.282	3.325	5	50	CGBA	
O=C(Nc1ccccc1)Nc1cccc([N+](=O)[O-])c1	294016	MKGHYUVMRJIWPW-UHFFFAOYSA-N	257.249	3.239	5	50	CGBA	
O=[N+]([O-])c1ccc(NC(=S)Nc2cccc(O)c2)cc1	4773887	XGPAJDZHMYBTHC-UHFFFAOYSA-N	289.316	3.109	5	50	CGBA	
O=[N+]([O-])c1cc(F)c(Br)cc1Br	263623131	DXCYCYWVZMQAER-UHFFFAOYSA-N	298.893	3.259	5	50	CGBA	
CC(C)N[C@@H]1CCCc2c1[nH]c1ccc([N+](=O)[O-])cc21	5032191	KNMCBZZIELOGNU-CQSZACIVSA-N	273.336	3.452	5	50	CGBA	
O=C(O)c1cc(-c2ccc([N+](=O)[O-])cc2)ccc1F	74937801	AKNKDVHVOKJUMJ-UHFFFAOYSA-N	261.208	3.099	5	50	CGBA	in-vitro
CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1N	3278016	LLXALUHICJMTIE-UHFFFAOYSA-N	292.316	3.082	5	50	CGBA	
CCOc1ccc2[nH]c3ccc4nonc4c3c2c1	439838	JDTKDSSDEUYKPG-UHFFFAOYSA-N	253.261	3.256	5	50	CGBA	
C[C@H](c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccn2)no1	472229	FSEIJKADQBGKJJ-SNVBAGLBSA-N	296.286	3.192	5	50	CGBA	
Cc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])c(C)c1	3879029	RUUZDESPOCCARX-UHFFFAOYSA-N	284.275	3.491	5	50	CGBA	
CC1CCN(CCCOc2cccc([N+](=O)[O-])c2)CC1	4870051	NVKOTKWYIRMINB-UHFFFAOYSA-N	278.352	3.096	5	50	CGBA	
CC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1O	91302237	ZTFYNFDZGRLCIS-UHFFFAOYSA-N	287.271	3.082	5	50	CGBA	in-vitro
CC[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1C	231409	XDPDMMLKYXDWFN-GFCCVEGCSA-N	276.336	3.308	5	50	CGBA	
O=[N+]([O-])c1cccc(-c2nnc(-c3cccc(F)c3)o2)c1	276078	SDPFKIIEGUYLGI-UHFFFAOYSA-N	285.234	3.451	5	50	CGBA	
C[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1	2822367	CTUPSSVYEBTCNI-CYBMUJFWSA-N	278.352	3.096	5	50	CGBA	
O=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3O)o2)c1	2847777	XFRLJSFCMDGDLA-UHFFFAOYSA-N	283.243	3.017	5	50	CGBA	
O=C(CCc1ccccc1)Nc1ccccc1[N+](=O)[O-]	4011712	PKZADCQYMPQYHD-UHFFFAOYSA-N	270.288	3.166	5	50	CGBA	
O=C(CCNc1cccc([N+](=O)[O-])c1)c1cccs1	4710285	LECXGQWDIZYPGB-UHFFFAOYSA-N	276.317	3.341	5	50	CGBA	
O=[N+]([O-])c1cccc(-c2noc(Cc3ccccc3)n2)c1	859494	XOQBGWBFGYXOHF-UHFFFAOYSA-N	281.271	3.236	5	50	CGBA	
CN(CCc1ccccc1)Cc1ccccc1[N+](=O)[O-]	19632823	HAGQRWCVAFWKIM-UHFFFAOYSA-N	270.332	3.269	5	50	CGBA	
Cc1ccccc1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1	452333	IQGOEPWVCAMCBX-UHFFFAOYSA-N	284.315	3.142	5	50	CGBA	
COc1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1	4077443	XJUAKUHYOXMXOR-UHFFFAOYSA-N	297.266	3.377	5	50	CGBA	
Cc1nc(N2CCC[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-]	178006432	SFTPWQMOZLMXPD-VIFPVBQESA-N	289.257	3.077	5	50	CGBA	
O=[N+]([O-])c1ccc(Br)cc1Br	21303476	DXRVYZGVVFZCFP-UHFFFAOYSA-N	280.903	3.120	5	50	CGBA	in-vitro
O=C(O)c1ccc(-c2cccc(F)c2)cc1[N+](=O)[O-]	47204909	OMNHCDRYKAFBCX-UHFFFAOYSA-N	261.208	3.099	5	50	CGBA	in-vitro
C[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1	4776697	YSBCQYOQISUINO-SNVBAGLBSA-N	263.297	3.001	5	50	CGBA	
CC(=O)Oc1cc(C)c2c(c1)oc(=O)c1ccccc12	451457	BXUKZXKNTDBNJW-UHFFFAOYSA-N	268.268	3.180	5	50	CGBA	
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C)cc1O	4269723	OAPYLBGXXZNGRS-UHFFFAOYSA-N	286.287	3.170	5	50	CGBA	
Cc1nnc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1	4819265	UOAUUSPKUZSWNM-UHFFFAOYSA-N	280.287	3.151	5	50	CGBA	
Cc1cnccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	134874773	YXHHGLNCVHDRQW-UHFFFAOYSA-N	291.694	3.204	5	50	CGBA	
CC(C)Oc1c(Br)cc(F)cc1[N+](=O)[O-]	85477196	RTBBAMMIBRXCEE-UHFFFAOYSA-N	278.077	3.284	5	50	CGBA	in-vitro
C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1	313571	LLZBBOSMEREIHE-LLVKDONJSA-N	299.282	3.023	5	50	CGBA	
C[C@@H]1CCCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1	444326	HAOPOICZXWUGKS-IDVQTMNDSA-N	274.320	3.009	5	50	CGBA	
O=[N+]([O-])c1cccnc1Oc1ccc(F)cc1F	93330	WZRAMZMIQUBNMG-UHFFFAOYSA-N	252.176	3.060	5	50	CGBA	
Cc1ccc(NC(=O)Nc2nccs2)c([N+](=O)[O-])c1	4799918	MKOAOVFPSXYTOJ-UHFFFAOYSA-N	278.293	3.004	5	50	CGBA	
Cc1c(C(=O)NC2CCCCCC2)cccc1[N+](=O)[O-]	209577	IWCVRSCNAZASCE-UHFFFAOYSA-N	276.336	3.356	5	50	CGBA	
COc1cccc(OCCOc2ccccc2[N+](=O)[O-])c1	2986929	BCGVJIQNNWHELT-UHFFFAOYSA-N	289.287	3.061	5	50	CGBA	
O=C(O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1	168901	LZYVYVIQKXALAF-UHFFFAOYSA-N	259.217	3.085	5	50	CGBA	in-vitro
CC(C)Cc1coc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1	894442996	ADSKEAZYEXHQLA-UHFFFAOYSA-N	289.291	3.034	5	50	CGBA	
O=[N+]([O-])c1c(F)cc(OC(F)F)cc1Br	263624330	PJWROVUNQOAEOJ-UHFFFAOYSA-N	286.003	3.098	5	50	CGBA	
O=C(O)c1cccc(Oc2ccccc2[N+](=O)[O-])c1	62604	HGFIGLCYOONRCT-UHFFFAOYSA-N	259.217	3.085	5	50	CGBA	
O=[N+]([O-])c1ccc(Br)c(F)c1Br	21982384	KAZRLIFDXCGVJS-UHFFFAOYSA-N	298.893	3.259	5	50	CGBA	
O=[N+]([O-])c1cc(CO)ccc1Oc1ccc(F)cc1F	1392281	OKNVDKZDPWCLCT-UHFFFAOYSA-N	281.214	3.158	5	50	CGBA	
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1C	211774	AIKWXLXBZBWITR-UHFFFAOYSA-N	260.249	3.057	5	50	CGBA	
CC(=O)Nc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	614062	MMDGSBGOFKNUST-UHFFFAOYSA-N	286.287	3.132	5	50	CGBA	
COc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	38726	WXEBSAKWRQNIGE-BJMVGYQFSA-N	298.298	3.255	5	50	CGBA	
CC(C)Nc1ccc(Br)cc1[N+](=O)[O-]	4244804	QKZASAQBZATLAE-UHFFFAOYSA-N	259.103	3.178	5	50	CGBA	in-vitro