smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C1[C@@H](O)CC[C@@H]2[C@H]3CCC[N+]4([O-])CCC[C@@H](CN12)[C@@H]34	95099429	NXUSOOFNXQATTQ-NUEVAWMNSA-N	280.368	0.855	5	1	CCBF	biogenic,in-vitro
CCCNC(=O)[C@H](N)[C@@H](O)c1ccc([N+](=O)[O-])cc1	40975079	BWDAHVYSRZKKRS-MNOVXSKESA-N	267.285	0.482	5	1	CCBF	
Cc1cnc([N+](=O)[O-])n1Cc1cn(CC[18F])nn1	103069780	YSZBTBOQNVASGA-LMANFOLPSA-N	253.228	0.709	5	1	CCBF	
C[C@@H](c1nc2c[nH]c(=N)[nH]c-2n1)n1cc([N+](=O)[O-])cn1	587276617	NCVVYHXUERGION-YFKPBYRVSA-N	274.244	0.431	5	1	CCBF	
N[C@@]1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CCOC1	587248233	IZCRHQRQDUWMJK-NSHDSACASA-N	293.239	0.954	5	1	CCBF	
CCOC(=O)[C@H](NC(=O)c1[nH]cnc1[N+](=O)[O-])C(C)C	17217887	WBBTYUYBRSPDFF-SSDOTTSWSA-N	284.272	0.635	5	1	CCBF	
O=[N+]([O-])C[C@H]1CCc2nc3nc(O)nc(O)c3cc21	587555782	RXRWVRSZGNRDAC-RXMQYKEDSA-N	262.225	0.743	5	1	CCBF	
O=C1[C@@H](O)CC[C@@H]2[C@H]3CCC[N@+]4([O-])CCC[C@@H](CN12)[C@@H]34	473108698	NXUSOOFNXQATTQ-WFGKFZIPSA-N	280.368	0.855	5	1	CCBF	
CNC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	45319818	GMUWUPRHMISLDL-LLVKDONJSA-N	290.279	0.969	5	1	CCBF	
COc1ccc2nc3nc(SC)[nH]c(=O)c3[n+]([O-])c2c1	101162148	VRYYNCHCZDNYOS-UHFFFAOYSA-N	290.304	0.835	5	1	CCBF	
O=C1CCC[C@@H]2[C@H]3CCC[N@+]4([O-])CCC[C@@](O)(CN12)[C@@H]34	473090806	ANLHCMIGMWZZOT-FLXGJNIRSA-N	280.368	0.999	5	1	CCBF	
O=c1[nH]c(=O)n(Cc2ccccc2[N+](=O)[O-])cc1F	28003595	LAENIKKHJFISTO-UHFFFAOYSA-N	265.200	0.632	5	1	CCBF	
O=C(CF)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	28759694	CHIFUCUCYPGAPP-ONGXEEELSA-N	272.232	0.075	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)CNCC(C)C	98084985	SWNXKOQHFIJCND-SNVBAGLBSA-N	256.306	0.706	5	1	CCBF	
COCCOCCOC(=O)N1CC[N+](C)(C)CC1	71295914	MECOFKRKMHAMJD-UHFFFAOYSA-N	261.342	0.178	5	1	CCBF	
N=c1[nH]ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c12	587268311	QHCBATHXLQWNGN-UHFFFAOYSA-N	271.240	0.923	5	1	CCBF	
NC(=O)c1cc([N+](=O)[O-])c(N2CC2)c([N+](=O)[O-])c1	26995869	NYNKICKUYWHEGX-UHFFFAOYSA-N	252.186	0.422	5	1	CCBF	
COc1ccc2nc3ccc(C(=O)O)nn3c(=O)c2c1	28090600	KPDLTUJJAYGREJ-UHFFFAOYSA-N	271.232	0.950	5	1	CCBF	
C[C@H]1[C@@H](C)N1C[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])o1	26507766	IADIVOKJOXWQEH-RQCYWIBBSA-N	283.284	0.371	5	1	CCBF	
Nc1ncc(-c2nc3c(O)ncnc3[nH]2)cc1[N+](=O)[O-]	587267932	ITLWFRHBTCKATN-UHFFFAOYSA-N	273.212	0.611	5	1	CCBF	
Nc1ncc(-c2nc3cnnc(O)c3[nH]2)cc1[N+](=O)[O-]	587267833	GSYRQVFWGHLKTM-UHFFFAOYSA-N	273.212	0.611	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@@H](O)CN1[C@H]2CCC[C@@H]21	100833718	OIDNCWWLMVXHET-UTLUCORTSA-N	252.274	0.389	5	1	CCBF	
O=C1CCC[C@@H]2[C@H]3CCC[N@@+]4([O-])CCC[C@@](O)(CN12)[C@@H]34	255195070	ANLHCMIGMWZZOT-TYRDWNCCSA-N	280.368	0.999	5	1	CCBF	
CN1C(=O)Nc2ccc([N+](=O)[O-])cc2[C@]12NC(=O)NC2=O	13455904	YXWJUICETUIVMU-NSHDSACASA-N	291.223	0.064	5	1	CCBF	
O=C1C=C[C@@H](O)[C@@H]2[C@H]3CCC[N@@+]4([O-])CCC[C@@H](CN12)[C@@H]34	473110130	VHAFSTUPIKPISL-LZMMXFEESA-N	278.352	0.631	5	1	CCBF	
O=[N+]([O-])c1nccn1Cc1nc(O)nc(O)c1Cl	13492931	LEOJCLYUHKTCJA-UHFFFAOYSA-N	271.620	0.694	5	1	CCBF	
Cc1cc(-c2cnc([N+](=O)[O-])n2C)n(CCO)n1	169324543	ITSAHJLUNKVSMX-UHFFFAOYSA-N	251.246	0.493	5	1	CCBF	
CN(C)C[C@@H](CO)C(=O)c1ccc([N+](=O)[O-])cc1	40874932	DXOIKBQBGHCQST-JTQLQIEISA-N	252.270	0.948	5	1	CCBF	
COCCNC(=O)[C@@H]1CC(c2ccc([N+](=O)[O-])cc2)=NO1	8829393	CLLCRTXDGPVAJH-LBPRGKRZSA-N	293.279	0.850	5	3	CCBF	
CC1=NC(=CC2=CC=C[C@@H]([N+](=O)[O-])[C@H]2O)C(=O)O1	2356847410	LQYUEYGNZKEACU-ZJUUUORDSA-N	250.210	0.348	5	1	CCBF	
N=C(N)c1ccc(NC(=O)Cn2cnc([N+](=O)[O-])c2)cc1	58538388	UAEDASAIGYRMQU-UHFFFAOYSA-N	288.267	0.714	5	1	CCBF	
O=c1[nH]c2cc(CN3CCCC3)c([N+](=O)[O-])cc2[nH]c1=O	27749192	MBMAJCHYOXLOLG-UHFFFAOYSA-N	290.279	0.720	5	1	CCBF	
O=C(O)c1nc2nc3ccc(O)cc3cc2c(=O)[nH]1	26654968	HCQHHOPQKUCGAL-UHFFFAOYSA-N	257.205	0.875	5	1	CCBF	
O=C(O)[C@H]1C(c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@H]1C(=O)O	587970709	NCPXUNMXGYKCMA-IUCAKERBSA-N	291.219	0.970	5	1	CCBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(N)ncnc2[nH]1	587267881	TUCWGCIWPWGWIL-ZCFIWIBFSA-N	288.271	0.958	5	1	CCBF	
CC(C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CCC[C@@H]12)[C@@H](C)O	14417670	ZKRKVSLSTMOPAL-NCXNUSQWSA-N	299.367	0.715	5	1	CCBF	
COC(=O)Cc1nc2cc([N+](=O)[O-])ccc2oc1=O	64528514	LMPDTBPOJXDHEB-UHFFFAOYSA-N	264.193	0.812	5	1	CCBF	
NS(=O)(=O)Cc1noc2ccc([N+](=O)[O-])cc12	169335047	QVHUPCHVACSONR-UHFFFAOYSA-N	257.227	0.525	5	1	CCBF	
Nc1ncc(-c2nc3cncnc3[nH]2)cc1[N+](=O)[O-]	587268295	PNAUFYVKMAFZKH-UHFFFAOYSA-N	257.213	0.905	5	1	CCBF	
O=C1CCC(=O)N1CCCN1CC[N+]2(CCCC2)CC1	29332045	DCKJBLXATADEJZ-UHFFFAOYSA-N	280.392	0.452	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@H](O)CN1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21	253635554	RJNNQBPRUXIJEV-HTFCKZLJSA-N	278.312	0.635	5	1	CCBF	
COC(=O)C[C@@H]1CCN(C#N)C[C@@H]1CC[N+](=O)[O-]	6379323	BUKCXEOGJVKFAW-UWVGGRQHSA-N	255.274	0.635	5	1	CCBF	
CC1(C)C[N@@]1C[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])o1	1857536629	LMLIIHWCSCTLRC-RMLUDKJBSA-N	283.284	0.373	5	1	CCBF	
Cc1cc2[nH]c([C@@H](O)[C@H](O)CO)nc2cc1[N+](=O)[O-]	586886255	ADBHSBATIHYSRB-ZJUUUORDSA-N	267.241	0.166	5	1	CCBF	
Nc1nc(N)c([N+](=O)[O-])c(OCc2ccccn2)n1	13778026	QBTJCYMBEOZPEL-UHFFFAOYSA-N	262.229	0.523	5	1	CCBF	
CC1(Cc2ccc([N+](=O)[O-])cc2)[N+]([O-])=c2ccccc2=[N+]1[O-]	45257921	OIWIINCKQUTECB-UHFFFAOYSA-N	299.286	0.545	5	1	CCBF	
CC(=O)N[C@H](CO)[C@@H](OC(C)=O)c1ccc([N+](=O)[O-])cc1	2356815984	GJPURVFMYFOQOY-OLZOCXBDSA-N	296.279	0.696	5	1	CCBF	
O=c1cc(NC[C@@H](O)CO)nc2c3ccccc3ccn12	13608212	NJCZAQHGUGQOAO-LLVKDONJSA-N	285.303	0.613	5	1	CCBF	
NC(=O)NOCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	34985723	VFEHINQPXFBDPV-UHFFFAOYSA-N	299.243	0.905	5	1	CCBF	
COc1nn(Cc2cccc([N+](=O)[O-])c2)c(=O)o1	473135972	MBEOQKVARJPAPU-UHFFFAOYSA-N	251.198	0.801	5	1	CCBF	
CCC[C@H](O)C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	230542065	XYLDAPHHFZKKHL-ZJUUUORDSA-O	262.326	0.240	5	1	CCBF	in-vitro
Cc1ncc([N+](=O)[O-])n1Cc1nc2c(N)ncnc2[nH]1	587274919	WONISFOZDJGEBD-UHFFFAOYSA-N	274.244	0.397	5	1	CCBF	
O=C1CCC[C@H]2[C@@H]3CCC[N+]4([O-])CCC[C@](O)(CN12)[C@H]34	14711766	ANLHCMIGMWZZOT-RDRLTARVSA-N	280.368	0.999	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@@H](O)CN1[C@H]2[C@H]3CC[C@H](C3)[C@@H]21	195171261	RJNNQBPRUXIJEV-SATQGORISA-N	278.312	0.635	5	1	CCBF	
C[N+]1(C)CCO[C@@](O)(c2ccc([N+](=O)[O-])cc2)C1	13605058	WBCXZWCITNKFKW-GFCCVEGCSA-N	253.278	0.847	5	1	CCBF	
CCN1C[C@]2([N+](=O)[O-])CC=C(OC)[C@@]([N+](=O)[O-])(C1)C2	169300423	JDKWUZZQGAMSQJ-QWRGUYRKSA-N	271.273	0.677	5	1	CCBF	
O=[P@]1(N2CC[N+]3(CCOCC3)CC2)NCCCO1	40810738	YGZFCELPXHVSMM-GOSISDBHSA-N	276.297	0.267	5	1	CCBF	
O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1	587971103	SWLXATOMNSWBMF-RNLVFQAGSA-N	291.219	0.970	5	1	CCBF	
COn1c(=O)cc2c3cc(O)ccc3n3c(=O)ccc1c23	6019394	MZQIGQOYXJHSQQ-UHFFFAOYSA-N	282.255	0.969	5	1	CCBF	
NCC(=O)N[C@H]1CO[C@@H](c2ccc([N+](=O)[O-])cc2)OC1	299806500	USWHUCWACYKNDF-WVSHTKLVSA-N	281.268	0.084	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@H](O)CN1[C@H]2CCCC[C@H]21	13885716	PYFVVJHOMNLKIO-NEJNLMRRSA-N	266.301	0.779	5	1	CCBF	
N[C@@H](COP(=O)(O)O)[C@@H](O)c1ccc([N+](=O)[O-])cc1	28362264	PMBXTJPKPMLTJQ-IUCAKERBSA-N	292.184	0.065	5	1	CCBF	
C[n+]1ccn(COCC(C)(C)[N+](=O)[O-])c1[CH-]N=O	169712535	AXOFUMFOKNODCQ-UHFFFAOYSA-N	256.262	0.618	5	1	CCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2cccc(C(N)=O)c2[nH]1	587273556	DSLXUNVPXAGYQI-UHFFFAOYSA-N	286.251	0.971	5	1	CCBF	
CNC(=O)[C@@H]1C[C@@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1	587234979	KINICIYZEFAADZ-NTSWFWBYSA-N	261.241	0.716	5	1	CCBF	
Cn1c([N+](=O)[O-])cnc1S(=O)(=O)CCCCC(=O)O	169347015	GSQCHYKNEGOEMI-UHFFFAOYSA-N	291.285	0.357	5	1	CCBF	
CCCCNC[C@H](O)Cn1c([N+](=O)[O-])cnc1C	98084987	QBRZTBBVCIXDDY-JTQLQIEISA-N	256.306	0.850	5	1	CCBF	
N=C(N)c1ccc(NC(=O)Cn2ccnc2[N+](=O)[O-])cc1	58541050	WNSOTAXKVLGALV-UHFFFAOYSA-N	288.267	0.714	5	1	CCBF	
CC(C)[C@@H]1CN1C[C@@H](O)Cn1ccnc1[N+](=O)[O-]	17174651	IOLDQEUSULQVRY-SRQCHHPUSA-N	254.290	0.492	5	3	CCBF	
CCCCNC(=O)[C@H](N)[C@@H](O)c1ccc([N+](=O)[O-])cc1	40976089	DOVNMSQJZXVDRM-NEPJUHHUSA-N	281.312	0.872	5	1	CCBF	
NCC(=O)N[C@H]1CO[C@@H](c2cccc([N+](=O)[O-])c2)OC1	299807561	FETMXNLTNOVVDA-WVSHTKLVSA-N	281.268	0.084	5	1	CCBF	
Cc1cc2[nH]c([C@@H](O)[C@@H](O)C(=O)O)nc2cc1[N+](=O)[O-]	586893084	UPLBDYARPMLQFA-DTWKUNHWSA-N	281.224	0.258	5	1	CCBF	
O=[N+]([O-])c1ncnc2c1ncn2[C@H]1O[C@@H](CO)C[C@H]1F	5849441	NQDOAFJZPCKIGD-DGAHNEANSA-N	283.219	0.352	5	1	CCBF	
O=C(O)COCc1nc2cncc([N+](=O)[O-])c2[nH]1	587564200	OBAJTEXJYHWYMW-UHFFFAOYSA-N	252.186	0.467	5	1	CCBF	
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)NCN2C1CC1	96940394	HHEDIWRTQHXSNJ-UHFFFAOYSA-N	269.282	0.813	5	1	CCBF	
COC[C@@H](O)Cn1c([N+](=O)[O-])nc2ccccc21	28764556	ZIXIBWIEMYNHLC-QMMMGPOBSA-N	251.242	0.952	5	1	CCBF	
CN(C)[N+](=O)NOc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]	377795132	GZWVTSWRUIEICK-UHFFFAOYSA-N	290.187	0.696	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@@H](O)CN1[C@@H]2[C@@H]1[C@@H]1CC[C@@H]2C1	100834361	RJNNQBPRUXIJEV-JCIQBVFBSA-N	278.312	0.635	5	1	CCBF	
O=[N+]([O-])c1cc2nc([C@@H](O)[C@H](O)CO)[nH]c2cc1Cl	586891913	RJXBQJOBLIVICZ-BDAKNGLRSA-N	287.659	0.511	5	1	CCBF	
COC(=O)[C@@H](NC(C)=O)[C@@H](O)c1cccc([N+](=O)[O-])c1	503991815	POUQACFHYAHDFU-QWRGUYRKSA-N	282.252	0.306	5	1	CCBF	biogenic
CC[C@@H](O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	263614728	SHDVOJJCEZGPBX-NXEZZACHSA-O	262.326	0.240	5	1	CCBF	in-vitro
Cc1ncc([N+](=O)[O-])n1Cc1nc2cc[nH]c(=N)c2[nH]1	587274950	XMVKVOLKLWODJC-UHFFFAOYSA-N	273.256	0.832	5	1	CCBF	
CN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1	26143603	GDSGJOIKTYTOQG-UHFFFAOYSA-N	276.252	0.113	5	1	CCBF	
O=c1c2nc([N+](=O)[O-])cn2ccn1Cc1ccccn1	1857566149	BSCYGPKACVIINV-UHFFFAOYSA-N	271.236	0.848	5	1	CCBF	
NCC(=O)N[C@H]1CCO[C@@H](c2cccc([N+](=O)[O-])c2)OC1	29123174	KZSOKXCHBBTHLR-GXFFZTMASA-N	295.295	0.474	5	1	CCBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cnnc(O)c2[nH]1	587273094	DKIYESVPBYAESJ-ZCFIWIBFSA-N	289.255	0.967	5	1	CCBF	
NCC(=O)N[C@H]1CO[C@@H](c2cccc([N+](=O)[O-])c2)OC1	101457451	FETMXNLTNOVVDA-OTCDBFHCSA-N	281.268	0.084	5	1	CCBF	
CC(=O)O[C@@H]1CSC[C@H](OC(C)=O)[C@H]1[N+](=O)[O-]	103129613	MMCWSWXGKHYGGE-BRPSZJMVSA-N	263.271	0.242	5	1	CCBF	
Cc1cc2[nH]c([C@H](O)[C@H](O)C(=O)O)nc2cc1[N+](=O)[O-]	586893082	UPLBDYARPMLQFA-BDAKNGLRSA-N	281.224	0.258	5	1	CCBF	
CN(C)C[C@H](CO)C(=O)c1ccc([N+](=O)[O-])cc1	40874934	DXOIKBQBGHCQST-SNVBAGLBSA-N	252.270	0.948	5	1	CCBF	
Nc1nc2ncn(Cc3cccc([N+](=O)[O-])c3)c2c(=O)[nH]1	27197468	LXNVULIDDIRYDX-UHFFFAOYSA-N	286.251	0.658	5	1	CCBF	
O=C(Cn1ccnc1[N+](=O)[O-])NCCC(F)(F)[18F]	100659099	ZMQGRZRWRQFMAN-RVRFMXCPSA-N	265.182	0.860	5	1	CCBF	
N[C@@H](Cc1c([N+](=O)[O-])ccc(O)c1[N+](=O)[O-])C(=O)O	26948662	LWPUYYJOCTWJAP-YFKPBYRVSA-N	271.185	0.163	5	1	CCBF	
N[C@@H](CC(=O)O)c1cc2c(cc1[N+](=O)[O-])OCCO2	1857636507	UQPNMGULHIXWJT-ZETCQYMHSA-N	268.225	0.841	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCn1ccnc1	49031742	DPYSEARANGYVRW-UHFFFAOYSA-N	293.283	0.930	5	1	CCBF	
O=[N+]([O-])c1nccn1[C@H]1CCC[C@@H](N2CC2)[C@@H]1O	27179276	DOVMGEHBLIOQFK-UTLUCORTSA-N	252.274	0.561	5	1	CCBF	
O=C(O)[C@H](O)[C@@H](O)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	586892564	TVTAHWHFOWMBSV-HTQZYQBOSA-N	285.187	0.089	5	1	CCBF	
CC(C)[C@H]1CN1C[C@@H](O)Cn1ccnc1[N+](=O)[O-]	1607707	IOLDQEUSULQVRY-ZMVZMBOQSA-N	254.290	0.492	5	3	CCBF	
COC[C@@H](NC(C)=O)C(=O)NCc1ccc([N+](=O)[O-])cc1	45255446	CXBMTUCKIPMSNC-GFCCVEGCSA-N	295.295	0.362	5	1	CCBF	
CCN1CCN(C[C@H](O)Cn2c([N+](=O)[O-])cnc2C)CC1	1772618359	PGOQXFNJOGNTAY-LBPRGKRZSA-N	297.359	0.098	5	1	CCBF	
C[C@H]1O[C@@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1NC(=O)CN	29123463	RTUMJYLZEKXZHT-DYLAAIIWSA-N	295.295	0.472	5	1	CCBF	
CN(CCCC[C@H](N)C(=O)O)CCC[N+](C)(C)C	238752225	JGIJRJCNJJACMF-LBPRGKRZSA-O	260.402	0.597	5	1	CCBF	
Nc1cnc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)nc1	587253004	XHDQHNWXMNZFBZ-UHFFFAOYSA-N	257.213	0.905	5	1	CCBF	
CC(=O)CN1CCN(Cc2ccc([N+](=O)[O-])o2)CC1	1857756937	NBLUYKCDSJNHKL-UHFFFAOYSA-N	267.285	0.894	5	1	CCBF	
NCC(=O)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	1772617097	TXZRKTWEBLIHSF-UHFFFAOYSA-N	277.240	0.220	5	1	CCBF	
N[C@@H](CCCNc1ccc(C(=O)O)cc1[N+](=O)[O-])C(=O)O	13780224	FULYHOXMRCCROA-QMMMGPOBSA-N	297.267	0.897	5	1	CCBF	
COc1cc2c(c(O)c1OC)CC[N+](C)([O-])[C@H]2CO	14723666	LRJHVWWITVQYQX-XLLULAGJSA-N	269.297	0.943	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@H](O)CN1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21	253635555	RJNNQBPRUXIJEV-KKJSVHSVSA-N	278.312	0.635	5	1	CCBF	
CCCCNC[C@@H](O)Cn1c([N+](=O)[O-])cnc1C	98084988	QBRZTBBVCIXDDY-SNVBAGLBSA-N	256.306	0.850	5	1	CCBF	
CNC(=O)[C@@H]1C[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1	587235861	QUJSEDBNQPOHFQ-RNFRBKRXSA-N	261.241	0.716	5	1	CCBF	
NOCc1ccc(OP(=O)(O)O)c([N+](=O)[O-])c1	71296737	OKAYFJKIWVEGRM-UHFFFAOYSA-N	264.130	0.457	5	1	CCBF	
CS(=O)(=O)/C=C\c1nc2cc([N+](=O)[O-])cnc2[nH]1	586925325	GSVSUDNYYYBOSG-IHWYPQMZSA-N	268.254	0.881	5	1	CCBF	
CCOC(=O)c1cnc2c([N+](=O)[O-])cnn2c1N	26491074	SDNHHEXZEUFKCE-UHFFFAOYSA-N	251.202	0.396	5	1	CCBF	
CC(C)Nc1nc2scnn2c(=O)c1[N+](=O)[O-]	1857588546	LRHNLZJHRCGNJR-UHFFFAOYSA-N	255.259	0.880	5	1	CCBF	
NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC1	26981639	HGWQXMCLBWBMTC-UHFFFAOYSA-N	252.186	0.422	5	1	CCBF	
N[C@]1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CCOC1	587248232	IZCRHQRQDUWMJK-LLVKDONJSA-N	293.239	0.954	5	1	CCBF	
CS(=O)(=O)c1nnc(-c2nc([N+](=O)[O-])c[nH]2)s1	1857755516	PNVKRDPTRLBKMC-UHFFFAOYSA-N	275.271	0.240	5	1	CCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2c[nH]c(=N)[nH]c-2n1	587274788	MJNFGOIPPAMAAG-UHFFFAOYSA-N	260.217	0.026	5	1	CCBF	
Cn1cnc([N+](=O)[O-])c1Sc1ncnc2[nH]c(=O)[nH]c12	26645444	GYBVJWFICZBLQW-UHFFFAOYSA-N	293.268	0.439	5	1	CCBF	
Nc1cc2c(cc1[N+](=O)[O-])nc(O)c1nc(C(=O)O)nn12	13532654	UECUSUHFDSPKQQ-UHFFFAOYSA-N	290.195	0.172	5	1	CCBF	
N[C@@H](Cc1ccc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C(=O)O	13765573	HGVGOHYWTZWBJN-YFKPBYRVSA-N	271.185	0.163	5	1	CCBF	
CNC(=O)[C@H]1C[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1	587235862	QUJSEDBNQPOHFQ-RQJHMYQMSA-N	261.241	0.716	5	1	CCBF	
CCOC(=O)Cn1sc2ncc([N+](=O)[O-])cc2c1=O	1645591	BLRLCZDVLCCCJM-UHFFFAOYSA-N	283.265	0.929	5	1	CCBF	
CN1C(=O)Nc2ccc([N+](=O)[O-])cc2[C@@]12NC(=O)NC2=O	13455902	YXWJUICETUIVMU-LLVKDONJSA-N	291.223	0.064	5	1	CCBF	
CN1c2nccc[n+]2C[C@@]1(O)c1ccc([N+](=O)[O-])cc1	72111480	FEVXNTODIOWQHS-CYBMUJFWSA-N	273.272	0.572	5	1	CCBF	
CN=c1c([N+](=O)[O-])nn(-c2ccc3c(c2)OCCO3)n1O	263592005	MRDXDIUCZGBAAM-UHFFFAOYSA-N	293.239	0.121	5	3	CCBF	
O=C1CSC[C@@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)N1	587043359	QBQSXGWDAAXYOI-LURJTMIESA-N	279.281	0.770	5	1	CCBF	
O=[N+]([O-])c1cc2nc([C@@H](O)[C@@H](O)CO)[nH]c2cc1Cl	586891943	RJXBQJOBLIVICZ-IUCAKERBSA-N	287.659	0.511	5	1	CCBF	
NCCOCCOCCc1nc2cc([N+](=O)[O-])cnc2[nH]1	587246285	OPRPHNQQDUREBS-UHFFFAOYSA-N	295.299	0.401	5	1	CCBF	
N[C@@H](CP(=O)(O)O)c1nc2ccc([N+](=O)[O-])cc2[nH]1	586920700	VMUBBEZAAJEFRY-LURJTMIESA-N	286.184	0.649	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CN1CCCC1	1772570229	FYBCFRYIKDHKHA-JTQLQIEISA-N	254.290	0.556	5	1	CCBF	
C/C=C(/C)C(=O)OC[C@H]1[C@@H]2CCC[N+]2([O-])C[C@@H]1O	14455351	YQESXLVASGRVDC-MWCARDSDSA-N	255.314	0.964	5	1	CCBF	
O=C1C=C[C@@H](O)[C@@H]2[C@H]3CCC[N@+]4([O-])CCC[C@@H](CN12)[C@@H]34	473110129	VHAFSTUPIKPISL-BJTDXVDBSA-N	278.352	0.631	5	1	CCBF	
O=[N+]([O-])c1cnc2[nH]c(CC3OCCO3)nc2c1	586907744	JUHFCWFNHKMHPV-UHFFFAOYSA-N	250.214	0.782	5	1	CCBF	
COC(=O)/C=C1\Nc2ccc([N+](=O)[O-])cc2OC1=O	101370561	GRGBLSNLDMZIBR-YVMONPNESA-N	264.193	0.983	5	1	CCBF	
O=C(O)C1=C[C@@H](O)[C@@H](O)[C@@H](Oc2ccc([N+](=O)[O-])cc2)O1	28758323	QOFLFSIACWCTBJ-UISBYWKRSA-N	297.219	0.020	5	1	CCBF	
CN1C(=O)[C@@H]2[C@@H](ON(C)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O	28647587	BEXSPPFYRXKOEF-GARJFASQSA-N	291.263	0.496	5	1	CCBF	
O=c1[nH]c2cc(-n3cncn3)c([N+](=O)[O-])cc2nc1O	13734406	DQBZQPPFSNFCRS-UHFFFAOYSA-N	274.196	0.118	5	1	CCBF	
CCC(=O)Nc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C	6818700	SRGYFBVSGMFHQM-UHFFFAOYSA-N	299.290	0.817	5	1	CCBF	
CCN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])nc2C)CC1	1772606959	LSTUATZMKHTQDB-LBPRGKRZSA-N	297.359	0.098	5	1	CCBF	
O=[N+]([O-])c1ccc(-n2nnnc2Nn2cnnc2)cc1	1857629505	KCTUPZFMLKWTPS-UHFFFAOYSA-N	273.216	0.037	5	1	CCBF	
CC[S@](=O)c1nnc(-c2nc([N+](=O)[O-])c[nH]2)s1	1857762862	VEISKEYIMATDOJ-KRWDZBQOSA-N	273.299	0.964	5	1	CCBF	
N=c1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2c[nH]1	587267662	CSXAAHKZWMMNHA-UHFFFAOYSA-N	271.240	0.923	5	1	CCBF	
Nc1nc(N)c([C@@H](C[N+](=O)[O-])c2ccc(F)cc2)c(O)n1	299832034	KJRITARAYGVSAW-QMMMGPOBSA-N	293.258	0.894	5	1	CCBF	
O=[N+]([O-])c1ccc2ccn([C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)c2c1	4123384	PCPAZZZWEYHKDO-LPWJVIDDSA-N	294.263	0.161	5	1	CCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2cc(=N)[nH]cc2[nH]1	587274173	GKUWPZRUIFUKMQ-UHFFFAOYSA-N	259.229	0.679	5	1	CCBF	
Cc1cc(NCCCn2cnc([N+](=O)[O-])n2)nc(N)n1	73166460	AGCWZGSBTFZHOO-UHFFFAOYSA-N	278.276	0.369	5	1	CCBF	
O=C(O)[C@H]1[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@H]1C(=O)O	587970711	NCPXUNMXGYKCMA-PSVAKVPMSA-N	291.219	0.970	5	1	CCBF	
O=[N+]([O-])c1cc2c(cc1[C@@H](O)P(=O)(O)O)OCO2	13558966	KCNUZNVDWIKYDW-QMMMGPOBSA-N	277.125	0.492	5	1	CCBF	
Nc1nc(N)c([C@H](C[N+](=O)[O-])c2ccc(F)cc2)c(O)n1	299832032	KJRITARAYGVSAW-MRVPVSSYSA-N	293.258	0.894	5	1	CCBF	
C[C@H]1[C@@H](C)[N@]1C[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])o1	1857567145	IADIVOKJOXWQEH-RSVXVWGFSA-N	283.284	0.371	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)Cn1ccnc1[N+](=O)[O-]	12971193	TYBQUHKTUFJRPR-MRVPVSSYSA-N	296.243	0.266	5	1	CCBF	
O=[N+]([O-])c1ccc2nc(N3CCNC[C@@H]3CO)ccc2c1	28713288	ZBRRPVMZGLQWQE-GFCCVEGCSA-N	288.307	0.914	5	1	CCBF	in-vitro
O=C(O)CN1CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	27759789	FRDRIOWPZUFOTH-UHFFFAOYSA-N	293.235	0.444	5	1	CCBF	
O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1	45300690	QWVAIAADSFBBHY-UHFFFAOYSA-N	299.354	0.802	5	1	CCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3ncc[nH]c-3n2)[C@@H]1C[N+](=O)[O-]	587263136	KCWUEJWDPMOXRV-HRDYMLBCSA-N	289.295	0.965	5	1	CCBF	
O=C(CCCn1ccnc1[N+](=O)[O-])NCCn1ccnc1	12967609	XROWHSGXXSTTBN-UHFFFAOYSA-N	292.299	0.584	5	1	CCBF	
O=C(O)c1nc(-c2ccc([N+](=O)[O-])s2)[nH]c(=O)c1O	3582332	FRTHYUWYHIDXDG-UHFFFAOYSA-N	283.221	0.810	5	1	CCBF	
O=[N+]([O-])c1cnc2nc(-c3ccncc3)nn2c1O	18192863	MPPPRRWXGHDUGD-UHFFFAOYSA-N	258.197	0.800	5	3	CCBF	
CNS(=O)(=O)NCc1nc2cccc([N+](=O)[O-])c2[nH]1	586942407	FQFZGTUYWGSYNR-UHFFFAOYSA-N	285.285	0.025	5	1	CCBF	
O=C(O)C[C@H](O)Cc1nc2ccc([N+](=O)[O-])cc2[nH]1	586890259	NPCZDNAGWPPNQG-SSDOTTSWSA-N	265.225	0.849	5	1	CCBF	
O=[N+]([O-])c1ncnc2c1ncn2[C@H]1O[C@H](CO)C[C@H]1F	17221018	NQDOAFJZPCKIGD-ZTNVNUCQSA-N	283.219	0.352	5	1	CCBF	
O=C(O)c1nc(-c2cc([N+](=O)[O-])cs2)[nH]c(=O)c1O	3582341	OCGMXSCZNBNLMS-UHFFFAOYSA-N	283.221	0.810	5	1	CCBF	
CCC[C@H](O)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C	85589585	VYEONLJQPYRKAN-QWRGUYRKSA-O	276.353	0.630	5	1	CCBF	endogenous,in-man
Cc1ccc(Nc2n[nH]nc2C(N)=O)c([N+](=O)[O-])c1	34523581	LTPCRLWLYGPSGK-UHFFFAOYSA-N	262.229	0.864	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@@H](O)CN1[C@H]2CCC[C@H]21	8461888	OIDNCWWLMVXHET-OQVKGCGUSA-N	252.274	0.389	5	1	CCBF	
COC1=CC[C@]2([N+](=O)[O-])CN(C)C[C@@]1([N+](=O)[O-])C2	12577804	ORVXXXBXSDPROG-ZJUUUORDSA-N	257.246	0.287	5	1	CCBF	
CN(C)S(=O)(=O)CCc1nc2ccc([N+](=O)[O-])cc2[nH]1	586931686	JDOFBFLGCWGEJW-UHFFFAOYSA-N	298.324	0.905	5	1	CCBF	
Cn1c(=O)[nH]c2c(cnn2-c2ccccc2[N+](=O)[O-])c1=N	100853179	JCXRWMLJADYLLV-UHFFFAOYSA-N	286.251	0.440	5	1	CCBF	
CC(C)CC(=O)O[C@@H]1CC[N+]2([O-])CC=C(CO)[C@H]12	156350401	HKAUZBBFQWECKC-AYBZEELNSA-N	255.314	0.964	5	1	CCBF	
C[C@@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	84587650	QTPMHRPRINTUFR-LURJTMIESA-O	287.775	0.119	5	1	CCBF	
C[C@@H](c1nc2c(N)ncnc2[nH]1)n1cc([N+](=O)[O-])cn1	587275222	AFRDIJZJPBCOOA-YFKPBYRVSA-N	274.244	0.649	5	1	CCBF	
Cc1nc(NCc2cccnc2)c([N+](=O)[O-])c(=O)[nH]1	27885681	MBMKBBVISODOPB-UHFFFAOYSA-N	261.241	0.994	5	1	CCBF	
COCCn1c(=N)ccc2c1nc1ccccc1[n+]2[O-]	101330948	HBTHFHHXSUTWQA-UHFFFAOYSA-N	270.292	0.949	5	1	CCBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1CCC(=O)O)C(=O)O	299820473	BMICDGSEEDVSSF-JTQLQIEISA-N	282.252	0.566	5	1	CCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3ncc[nH]c-3n2)[C@H]1C[N+](=O)[O-]	587263139	KCWUEJWDPMOXRV-VGMNWLOBSA-N	289.295	0.965	5	1	CCBF	
C[C@@H]1CN1Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]	27753934	CLNTVQLCPKQQIG-WVEXHBNRSA-N	276.252	0.329	5	1	CCBF	
CC(C)=CC(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12	238751347	ZARRVDIUCQDFCK-AYBZEELNSA-N	253.298	0.884	5	1	CCBF	
CCCCNc1c(NCC[N+](C)(C)C)c(=O)c1=O	103244124	VDXZZZFKWAZSOM-UHFFFAOYSA-O	254.354	0.613	5	1	CCBF	
COC(=O)[C@H](NC(C)=O)[C@@H](O)c1cccc([N+](=O)[O-])c1	503991814	POUQACFHYAHDFU-MNOVXSKESA-N	282.252	0.306	5	1	CCBF	biogenic
C[C@@H]1OC(c2nc3c([N+](=O)[O-])cccn3n2)=C[C@H](O)[C@@H]1O	28758207	BCPHPLLFNDSWGY-KADJCCMJSA-N	292.251	0.119	5	1	CCBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C[C@H](N)C(N)=O	587647421	HVSKJQXMGIPGOH-JTQLQIEISA-N	262.269	0.740	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@@H](O)CN1[C@H]2CCCC[C@@H]21	100832325	PYFVVJHOMNLKIO-VWYCJHECSA-N	266.301	0.779	5	1	CCBF	
N[C@H](C(=O)O)[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O	40379950	FPDMUWWSLNFNHR-IUCAKERBSA-N	268.225	0.250	5	1	CCBF	
CC1(C)OC(=O)C(c2nc3cncc([N+](=O)[O-])c3[nH]2)=C1N	587255253	KMQIKPWMIDNDQX-UHFFFAOYSA-N	289.251	0.871	5	1	CCBF	
O=C(O)c1nc2c(=O)[nH]c3ccc([N+](=O)[O-])cc3n2n1	13798636	QAZCHQANHOZOBJ-UHFFFAOYSA-N	275.180	0.177	5	1	CCBF	
O=[N+]([O-])c1ccc2nc(N3CCNC[C@H]3CO)ccc2c1	28713287	ZBRRPVMZGLQWQE-LBPRGKRZSA-N	288.307	0.914	5	1	CCBF	in-vitro
CN1CC[N+]2(CC1)CCN([P@@]1(=O)NCCCO1)CC2	34874732	AHPJOQMLXRRKCB-LJQANCHMSA-N	289.340	0.182	5	1	CCBF	
Nc1c([N+](=O)[O-])nnc2nc(-c3ccccc3)nn12	4012294	ISJKLTDUZIRLNU-UHFFFAOYSA-N	257.213	0.677	5	1	CCBF	
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)NCN2CCF	45337733	GIWHLGSKAJQKRU-UHFFFAOYSA-N	275.261	0.620	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@@H](O)C[N@]1[C@H]2CCC[C@H]21	1857536616	OIDNCWWLMVXHET-RBQUTUCGSA-N	252.274	0.389	5	1	CCBF	
CC(=O)Nc1ccc([C@@]2(O)C[N+](C)(C)CCO2)cc1	13605051	NBXCENDCRMOHRM-CQSZACIVSA-O	265.333	0.897	5	1	CCBF	
O=C(O)Cn1cc(O)n(Cc2cccc([N+](=O)[O-])c2)c1=O	169715175	KVNTYWMVIFNSIP-UHFFFAOYSA-N	293.235	0.397	5	1	CCBF	
N[C@H](Cc1c([N+](=O)[O-])ccc(O)c1[N+](=O)[O-])C(=O)O	26948671	LWPUYYJOCTWJAP-RXMQYKEDSA-N	271.185	0.163	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@H](O)CN1[C@H]2CCC[C@H]21	13885715	OIDNCWWLMVXHET-UDAJDXAQSA-N	252.274	0.389	5	1	CCBF	
Nc1nc(N)c([C@@H](C[N+](=O)[O-])c2ccccc2)c(N)n1	136342392	BMGRJJGQYHIEAE-QMMMGPOBSA-N	274.284	0.632	5	1	CCBF	
CCCNc1nc2scnn2c(=O)c1[N+](=O)[O-]	1857615668	XUSYQAPGDXMVKG-UHFFFAOYSA-N	255.259	0.881	5	1	CCBF	
CC[C@@H](O)C[C@@H](O)O[C@@H](CC(=O)O)C[N+](C)(C)C	85589596	PSRQDLCMEPQOQH-SCVCMEIPSA-O	264.342	0.032	5	1	CCBF	endogenous,in-man
COc1c(C[C@H](N)C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	25988747	IUPQXIODQFROQY-ZETCQYMHSA-N	285.212	0.466	5	1	CCBF	
N=c1nc(O)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c[nH]1	587253766	PEDWMEUBMBHUCS-UHFFFAOYSA-N	273.212	0.441	5	1	CCBF	
CNC1=C([N+](=O)[O-])[C@@H](c2ccccc2)N=C2N=CNN21	1911573593	VFHHYQOZQNJLFE-SECBINFHSA-N	272.268	0.611	5	1	CCBF	
C[C@H]1C[C@@]23[C@@H]4CCC[N+]2([O-])CCC[C@]3(O)[C@H](CC4=O)[C@@H]1O	238780516	IGVAYTKOVZGEKF-RJKRUPAQSA-N	295.379	0.964	5	1	CCBF	
Nc1ncnc2[nH]c(CNc3ncccc3[N+](=O)[O-])nc12	587268824	LJGPRMHKWLEFSX-UHFFFAOYSA-N	286.255	0.850	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1CCn1cc([Si](C)(C)C)nn1	653718340	HFPXCEPMUXYICD-UHFFFAOYSA-N	294.391	0.937	5	1	CCBF	
Cn1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1	1772585933	HNUDBKQMVFEVQB-UHFFFAOYSA-N	250.174	0.694	5	1	CCBF	
O=C(CNCCNc1ccc([N+](=O)[O-])cn1)N1CCCC1	13522769	ZJKHLRKBIIPENJ-UHFFFAOYSA-N	293.327	0.614	5	1	CCBF	
CC(C)[C@@H]1C[N@]1C[C@H](O)Cn1ccnc1[N+](=O)[O-]	1857623514	IOLDQEUSULQVRY-BFVZDQMLSA-N	254.290	0.492	5	1	CCBF	
CC1(C)CN1C[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])o1	26507784	LMLIIHWCSCTLRC-ZSYIFEHUSA-N	283.284	0.373	5	1	CCBF	
O=C(O)C[C@H](O)Cc1nc2cccc([N+](=O)[O-])c2[nH]1	586887416	FIVXYLMPVGWGBA-ZCFIWIBFSA-N	265.225	0.849	5	1	CCBF	
Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCOCC2)s1	34639713	FHTQIJMLRGIMCC-UHFFFAOYSA-N	296.312	0.683	5	1	CCBF	
O=C(O)[C@H]1C(c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@H]1C(=O)O	587970405	GUAUORJCPGHOCB-BQBZGAKWSA-N	292.207	0.365	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@@H](O)C[N@]1[C@H]2CCCC[C@H]21	1857536610	PYFVVJHOMNLKIO-OZWUEAAUSA-N	266.301	0.779	5	1	CCBF	
O=C(O)C[C@@H](O)Cc1nc2cncc([N+](=O)[O-])c2[nH]1	586886341	AHYGEWZZUGJJTC-YFKPBYRVSA-N	266.213	0.244	5	1	CCBF	
O=[N+]([O-])c1cccc2nccc(NC[C@H](O)CO)c12	3593715	KJGLKYMXDHYJFX-QMMMGPOBSA-N	263.253	0.908	5	1	CCBF	
O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1	587970406	GUAUORJCPGHOCB-KVSKUHBBSA-N	292.207	0.365	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(=N)[nH]cc2[nH]1	587273735	LACNKIFIVBQJPH-UHFFFAOYSA-N	273.256	0.832	5	1	CCBF	
CC(C)[C@@H]1C[N@@]1C[C@H](O)Cn1ccnc1[N+](=O)[O-]	1857623516	IOLDQEUSULQVRY-ISTVAULSSA-N	254.290	0.492	5	1	CCBF	
O=C(CF)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	28759697	CHIFUCUCYPGAPP-GXSJLCMTSA-N	272.232	0.075	5	1	CCBF	
COCCNC(=O)[C@H]1CC(c2ccc([N+](=O)[O-])cc2)=NO1	8829394	CLLCRTXDGPVAJH-GFCCVEGCSA-N	293.279	0.850	5	3	CCBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CN1CCCCC1	1772586833	PVZRNYWFZWRAGI-NSHDSACASA-N	268.317	0.947	5	1	CCBF	
COC[C@H](O)Cn1c([N+](=O)[O-])nc2ccccc21	28764561	ZIXIBWIEMYNHLC-MRVPVSSYSA-N	251.242	0.952	5	1	CCBF	
N=c1ccc2c(nc3ccccc3[n+]2[O-])n1CCO	17141816	YRHFFUQFEVRQGB-UHFFFAOYSA-N	256.265	0.295	5	1	CCBF	
O=c1c([N+](=O)[O-])c(NCCCCO)nc2scnn12	1857607101	LWKVTEMZMBTYHW-UHFFFAOYSA-N	285.285	0.244	5	1	CCBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(O)ncnc2[nH]1	587274854	USJJBDLCHKLFDS-ZCFIWIBFSA-N	289.255	0.967	5	1	CCBF	
CS(=O)(=O)/C=C/c1nc2cc([N+](=O)[O-])cnc2[nH]1	586925326	GSVSUDNYYYBOSG-NSCUHMNNSA-N	268.254	0.881	5	1	CCBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(N)ncnc2[nH]1	587273119	DYBWAKUELAAKEO-LURJTMIESA-N	288.271	0.844	5	1	CCBF	
N[C@H](Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)O	13765578	JZHILFCUIHARMU-ZCFIWIBFSA-N	271.185	0.163	5	1	CCBF	
CN1C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N(C)O[C@H]2C1=O	28647582	BEXSPPFYRXKOEF-HBNTYKKESA-N	291.263	0.496	5	1	CCBF	
C[C@@H](c1nc2c(O)nc(O)nc2[nH]1)n1cc([N+](=O)[O-])cn1	587275918	HPDXPMXSXNEOSB-BYPYZUCNSA-N	291.227	0.478	5	1	CCBF	
O=C(NCCOCCO)Nc1ncc([N+](=O)[O-])s1	1857599761	UEYIBRXQMJUBSL-UHFFFAOYSA-N	276.274	0.182	5	1	CCBF	
NC(=O)NCCC[C@H](N)c1nc2ccc([N+](=O)[O-])cc2[nH]1	587258866	FDPDEMQXVYEBGX-QMMMGPOBSA-N	292.299	0.919	5	1	CCBF	
C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)/C=C/CC(=O)O	206770969	JXVUHLILXGZLFR-OTQAPUNGSA-O	274.293	0.110	5	1	CCBF	in-vitro
Cc1cc2nc3c(nc2cc1CO)c(O)nc(=O)n3C	2356326784	ZXIWOJBJNDVZMT-UHFFFAOYSA-N	272.264	0.383	5	1	CCBF	
O=C(c1cc([N+](=O)[O-])ccc1Cl)[PH](O)(O)O	78372293	VZUCRDBCEXVSTL-UHFFFAOYSA-N	267.561	0.860	5	1	CCBF	
Cc1ccc([C@@H](C[N+](=O)[O-])c2c(N)nc(N)nc2N)cc1	299823945	CJBUAFVYYGEUPU-SECBINFHSA-N	288.311	0.940	5	1	CCBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(N)ncnc2[nH]1	587267879	TUCWGCIWPWGWIL-LURJTMIESA-N	288.271	0.958	5	1	CCBF	
C[C@H](c1nc2c(O)nc(=N)[nH]c2[nH]1)n1cc([N+](=O)[O-])cn1	587277165	PVVSKOZBMAZGPM-SCSAIBSYSA-N	290.243	0.185	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@H](O)CN1[C@H]2[C@@H]3CC[C@H](C3)[C@H]21	100834364	RJNNQBPRUXIJEV-OSELFDCSSA-N	278.312	0.635	5	1	CCBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c[nH]c(=N)[nH]c-2n1	587274941	XFTHEGZFQFTKFR-ZCFIWIBFSA-N	288.271	0.625	5	1	CCBF	
Cc1cc(=O)[nH]c2c(O)c3c(cc12)c(CO)cc(=O)n3C	138828931	KOLKVNKEAJWZES-UHFFFAOYSA-N	286.287	0.886	5	1	CCBF	
O=C(O)CNCCNCc1nc2cccc([N+](=O)[O-])c2[nH]1	587229346	VWSWHWFSAJMEAU-UHFFFAOYSA-N	293.283	0.235	5	1	CCBF	
C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)/C=C/CCC(=O)O	96094861	XBOISISLTCYSPV-STUBTGCMSA-O	288.320	0.500	5	1	CCBF	in-vitro
O=C1CSC[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)N1	587043372	QBQSXGWDAAXYOI-ZCFIWIBFSA-N	279.281	0.770	5	1	CCBF	
O=[N+]([O-])C[C@@H]1Cc2cc3c(O)nc(O)nc3nc2C1	587555667	QYLHPMOXSBBIFP-RXMQYKEDSA-N	262.225	0.428	5	1	CCBF	
CC(=O)OCCn1c(C)cn2cc([N+](=O)[O-])nc2c1=O	1857534398	QRWIRJZCRIDYJD-UHFFFAOYSA-N	280.240	0.276	5	1	CCBF	
Nc1nc(N)c([C@H](C[N+](=O)[O-])c2ccc(F)cc2)c(N)n1	299832945	MKEHQNZOIMQRQP-MRVPVSSYSA-N	292.274	0.771	5	1	CCBF	
O=C(O)C[C@@H](O)Cc1nc2cccc([N+](=O)[O-])c2[nH]1	586887412	FIVXYLMPVGWGBA-LURJTMIESA-N	265.225	0.849	5	1	CCBF	
COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2S1=O	35181	XVDYULYPXSAYOL-UHFFFAOYSA-N	284.249	0.246	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCn1cncn1	49033831	LULPDJKOJYNKTR-UHFFFAOYSA-N	294.271	0.325	5	1	CCBF	
COC(=O)CC[C@H](N)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587259304	ISMKTSWVAUPZFK-ZETCQYMHSA-N	279.256	0.819	5	1	CCBF	
O=[N+]([O-])c1ccc([C@H]2CNCCNCCNCCN2)cc1	29126368	MCSKGQUYEDMUHI-CQSZACIVSA-N	293.371	0.008	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cnncc2[nH]1	587275030	ZTTWNQILOOYDOS-UHFFFAOYSA-N	259.229	0.814	5	1	CCBF	
CCN(CC)Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]	27758487	UWEVZJAQJKZNGV-UHFFFAOYSA-N	292.295	0.966	5	1	CCBF	
CC(=O)NCc1cn([C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)nn1	100597397	SZDYKWSYYPWQMN-ZSOGYDGISA-O	278.380	0.857	5	1	CCBF	
C[C@H]1CN1Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]	27753944	CLNTVQLCPKQQIG-DJMHDKPGSA-N	276.252	0.329	5	1	CCBF	
O=[N+]([O-])c1cc2c(cc1[C@H](O)P(=O)(O)O)OCO2	13558965	KCNUZNVDWIKYDW-MRVPVSSYSA-N	277.125	0.492	5	1	CCBF	
O=c1cc(O)[n+]2nc(-c3ccc([N+](=O)[O-])cc3)sc2[nH]1	169692241	KNROCJWJSBUMQZ-UHFFFAOYSA-O	291.268	0.851	5	1	CCBF	
CC[C@H](O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	263614729	SHDVOJJCEZGPBX-VHSXEESVSA-O	262.326	0.240	5	1	CCBF	in-vitro
CCN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])nc2C)CC1	1772606958	LSTUATZMKHTQDB-GFCCVEGCSA-N	297.359	0.098	5	1	CCBF	
N[C@@H](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O	58623792	ZSHUSDSLXWTXDN-ZETCQYMHSA-N	284.228	0.717	5	1	CCBF	in-vitro
O=C(O)[C@@H](O)Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	26950738	LKECPTMTKFUHNG-ZETCQYMHSA-N	272.169	0.197	5	1	CCBF	
CC(C)(CO)[C@@H](O)c1nc2cc([N+](=O)[O-])cnc2[nH]1	586901602	UAXIVESYDHXSKI-QMMMGPOBSA-N	266.257	0.918	5	1	CCBF	
O=c1[nH]c2cc(-n3ccnc3)c([N+](=O)[O-])cc2n(O)c1=O	13759248	GTQHGFVPAGVYBZ-UHFFFAOYSA-N	289.207	0.021	5	1	CCBF	
COc1ccc([N+](=O)[O-])c2c(NC[C@@H](O)CO)ccnc12	1626110	QEMHBNJSUCBMEU-MRVPVSSYSA-N	293.279	0.917	5	1	CCBF	
NC(=O)[C@H]1N=NS[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1	1649518	AKIMPIXQEHVDAG-GMSGAONNSA-N	295.280	0.619	5	1	CCBF	
O=[N+]([O-])c1cccnc1NCc1nc2cnnc(O)c2[nH]1	587268808	LCQUDBAQZHBYAC-UHFFFAOYSA-N	287.239	0.974	5	1	CCBF	
Cn1cnc([N+](=O)[O-])c1Cc1ncnc2nc[nH]c12	71789463	IVGCFMUSSPATMC-UHFFFAOYSA-N	259.229	0.585	5	1	CCBF	
C[N+](C)(CCP)CC[N+](C)(C)CCOP	95620710	HTIABFAGQUDNHZ-UHFFFAOYSA-N	254.295	0.821	5	1	CCBF	endogenous,in-man
N[C@@H](CCCNc1cc(O)ccc1[N+](=O)[O-])C(=O)O	13780225	PFWPKRZAPJXIFG-QMMMGPOBSA-N	269.257	0.904	5	1	CCBF	
O=c1nc2ccc3c(=O)c4ccccc4c(=O)c3c2nc1=O	45393238	RVDWAIRPSDRIMH-UHFFFAOYSA-N	290.234	0.253	5	1	CCBF	in-vivo
COCC(=O)Cc1nc2cc([N+](=O)[O-])cnc2[nH]1	587562846	HBHFGLDJJRCSGR-UHFFFAOYSA-N	250.214	0.624	5	1	CCBF	
O=[N+]([O-])c1ccn(CCCc2nc3cnnc(O)c3[nH]2)n1	587273549	LURSWNXMMCRPGI-UHFFFAOYSA-N	289.255	0.796	5	1	CCBF	
COCCNC(=O)[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1	8829398	FLBADOIHVFGZHV-GFCCVEGCSA-N	293.279	0.850	5	3	CCBF	
O=C(O)[C@@H](O)[C@H](O)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	586892569	TVTAHWHFOWMBSV-YUMQZZPRSA-N	285.187	0.089	5	1	CCBF	
c1ccc([B-]2(c3ccccc3)OCC[N+]23CCNCC3)cc1	170186698	RXGJVWLWZUMSDO-UHFFFAOYSA-N	294.207	0.693	5	1	CCBF	
CCN1c2nccc[n+]2C[C@@]1(O)c1ccc([N+](=O)[O-])cc1	72106454	OWGGCRUBEQVXNI-CQSZACIVSA-N	287.299	0.963	5	1	CCBF	
CC(=O)Cn1c(C)nc(N2CCOCC2)c1[N+](=O)[O-]	40917555	GJDJGVDFIXNBMO-UHFFFAOYSA-N	268.273	0.525	5	1	CCBF	
Nc1nc(N)c([C@H](C[N+](=O)[O-])c2ccccc2)c(N)n1	136342363	BMGRJJGQYHIEAE-MRVPVSSYSA-N	274.284	0.632	5	1	CCBF	
N=c1[nH]cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)nc-2[nH]1	587267793	GCBZJACMGSWPOL-UHFFFAOYSA-N	272.228	0.269	5	1	CCBF	
O=C(OCn1ccc(=O)[nH]c1=O)c1ccc([N+](=O)[O-])cc1	29567057	AECRSRZYFXGAGM-UHFFFAOYSA-N	291.219	0.259	5	1	CCBF	
NC(=O)c1c([N+](=O)[O-])ccc(N2CC2)c1[N+](=O)[O-]	26983442	UPBCWKBDQUBKFQ-UHFFFAOYSA-N	252.186	0.422	5	1	CCBF	
CN1c2nccc[n+]2C[C@@]1(O)c1cccc([N+](=O)[O-])c1	72106747	TWYQHJFDBZLTFB-CYBMUJFWSA-N	273.272	0.572	5	1	CCBF	
CC=C(C)C(=O)OC[C@@H]1[C@H](O)C[N@+]2([O-])CCC[C@@H]12	2356321543	YQESXLVASGRVDC-CIQGVGRVSA-N	255.314	0.964	5	1	CCBF	
CCOc1nc(N2CCOCC2)nc(C)c1[N+](=O)[O-]	4008338	IGHGSXJZBLQDAQ-UHFFFAOYSA-N	268.273	0.929	5	3	CCBF	
Cc1oc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)cc1[N+](=O)[O-]	587268963	OVOOXPDCZGIXNW-UHFFFAOYSA-N	276.212	0.948	5	1	CCBF	
CN(C)[N+](=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	377840031	DFKCKKIDYORBOF-UHFFFAOYSA-N	272.197	0.557	5	1	CCBF	
CN(CCCC[C@@H](N)C(=O)O)CCC[N+](C)(C)C	2356320462	JGIJRJCNJJACMF-GFCCVEGCSA-O	260.402	0.597	5	1	CCBF	
O=C1[C@H](O)CC[C@@H]2[C@H]3CCC[N+]4([O-])CCC[C@@H](CN12)[C@@H]34	95099430	NXUSOOFNXQATTQ-VWZJXLKHSA-N	280.368	0.855	5	1	CCBF	biogenic,in-vitro
Nc1ncc(-c2nc3c(N)ncnc3[nH]2)cc1[N+](=O)[O-]	587268184	NDWQQCXWFJWNFM-UHFFFAOYSA-N	272.228	0.488	5	1	CCBF	
O=c1cc(N(CCO)CCO)nc2c3ccccc3ccn12	13608206	QVXGUJWHNIGGIV-UHFFFAOYSA-N	299.330	0.639	5	1	CCBF	
CNC(=O)[C@H]1C[C@@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1	587235859	QUJSEDBNQPOHFQ-BQBZGAKWSA-N	261.241	0.716	5	1	CCBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1-n1[nH]nnc1=N	587646926	AZSFMHKQUVLJKS-UHFFFAOYSA-N	259.229	0.773	5	1	CCBF	
CN(C)C(=O)CN1CCN(Cc2ccc([N+](=O)[O-])o2)CC1	1857642275	AQAMHIQXAXGUNA-UHFFFAOYSA-N	296.327	0.394	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)CN1CCCC1	1772570230	FYBCFRYIKDHKHA-SNVBAGLBSA-N	254.290	0.556	5	1	CCBF	
O=[N+]([O-])c1cccc2c1CCN(CC1=NCCN1)C2	27708104	FAGOMDIGYGWUOC-UHFFFAOYSA-N	260.297	0.955	5	1	CCBF	
CN1C(=O)CN(CCCO)c2ccc([N+](=O)[O-])cc21	473137655	YWXJLDVCCBUQJP-UHFFFAOYSA-N	265.269	0.760	5	1	CCBF	
N[C@H](Cc1cc(O)c([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O	26948689	KGKBQMJHHHNUIW-RXMQYKEDSA-N	271.185	0.163	5	1	CCBF	
O=[N+]([O-])c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1F	3589313	NQDOAFJZPCKIGD-BAJZRUMYSA-N	283.219	0.352	5	1	CCBF	
O=C(O)C1=C[C@H](O)[C@H](O)[C@@H](Oc2ccc([N+](=O)[O-])cc2)O1	169302577	QOFLFSIACWCTBJ-PEXQALLHSA-N	297.219	0.020	5	1	CCBF	
CC(C)[C@@H]1C[N@@]1C[C@@H](O)Cn1ccnc1[N+](=O)[O-]	1857623517	IOLDQEUSULQVRY-PKFCDNJMSA-N	254.290	0.492	5	1	CCBF	
C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)/C=C/CC(=O)O	85589574	JXVUHLILXGZLFR-DNQSNQRASA-O	274.293	0.110	5	1	CCBF	endogenous,in-man
CCOC(=O)[C@@H](NC(=O)c1[nH]cnc1[N+](=O)[O-])C(C)C	17217883	WBBTYUYBRSPDFF-ZETCQYMHSA-N	284.272	0.635	5	1	CCBF	
N[C@H](C[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O)C(=O)O	13491580	WBEQZBOQRCTTMD-WCBMZHEXSA-N	282.252	0.640	5	1	CCBF	
CC(C)=CC(=O)OCC1=CC[N@+]2([O-])CC[C@H](O)[C@H]12	2356315944	ZARRVDIUCQDFCK-UBHSHLNASA-N	253.298	0.884	5	1	CCBF	
C/C=C(/C)C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@H]12	14724006	HHIPTBVXCKBSAM-XHPUXICCSA-N	253.298	0.884	5	1	CCBF	
Cn1c(=O)[nH]c2c(cnn2-c2cccc([N+](=O)[O-])c2)c1=N	101269169	ZBVNRGHBRQVFKL-UHFFFAOYSA-N	286.251	0.440	5	1	CCBF	
C[N+](C)(C)CCOC(=S)OCC[N+](C)(C)C	147335261	ORTVSCKNKKJRFY-UHFFFAOYSA-N	250.408	0.717	5	1	CCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2cnnc(O)c2[nH]1	587274721	KLCKFSHIQKNVQL-UHFFFAOYSA-N	261.201	0.367	5	1	CCBF	
NC(=O)[C@@H]1N=NS[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1	1649521	AKIMPIXQEHVDAG-XVKPBYJWSA-N	295.280	0.619	5	1	CCBF	
COc1ccc2c(c1)[n+]([O-])c1ccc(O)cc1[n+]2[O-]	101358830	DMAKYCSLCCKVHR-UHFFFAOYSA-N	258.233	0.974	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@H](O)CN1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	253635557	RJNNQBPRUXIJEV-PLCPGVEDSA-N	278.312	0.635	5	1	CCBF	
COCC(=O)Cc1nc2cncc([N+](=O)[O-])c2[nH]1	587562860	HVGCNQWAOZKLTR-UHFFFAOYSA-N	250.214	0.624	5	1	CCBF	
O=C(O)C[C@H](O)Cc1nc2cncc([N+](=O)[O-])c2[nH]1	586886326	AHYGEWZZUGJJTC-RXMQYKEDSA-N	266.213	0.244	5	1	CCBF	
CCN1CCN(C[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)CC1	1772618358	PGOQXFNJOGNTAY-GFCCVEGCSA-N	297.359	0.098	5	1	CCBF	
COc1cc(=O)c2ccc3c(=O)cc(OC)c(=O)c3c2c1=O	139870080	UVPSSGJTBLNVRE-UHFFFAOYSA-N	298.250	0.327	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@@H](O)CN1[C@H]2CCCC[C@H]21	8461887	PYFVVJHOMNLKIO-LCONVBBXSA-N	266.301	0.779	5	1	CCBF	
CC(=O)c1cc([N+](=O)[O-])cc(NC(=O)c2nn[nH]n2)c1O	101483186	DILFXJNBSNWFGI-UHFFFAOYSA-N	292.211	0.268	5	1	CCBF	
NCC(=O)N[C@H]1CO[C@@H](c2ccc([N+](=O)[O-])cc2)OC1	101148438	USWHUCWACYKNDF-OTCDBFHCSA-N	281.268	0.084	5	1	CCBF	
N[C@@H](CP(=O)(O)O)c1nc2cc([N+](=O)[O-])cnc2[nH]1	586919550	ACSQZBVWHXEBCX-YFKPBYRVSA-N	287.172	0.044	5	1	CCBF	
CN1CCc2c(c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1	13743337	GFBKEXLXXAYEAN-UHFFFAOYSA-N	276.252	0.113	5	1	CCBF	
CC(C)=CC(=O)OCC1=CC[N@+]2([O-])CC[C@@H](O)[C@H]12	2356315945	ZARRVDIUCQDFCK-XBFCOCLRSA-N	253.298	0.884	5	1	CCBF	
O=C1c2cc([N+](=O)[O-])ccc2OCN1CCO[N+](=O)[O-]	3797328	RTYCQOGKZWHQTO-UHFFFAOYSA-N	283.196	0.595	5	1	CCBF	
Cc1cc(NCCCn2ccnc2[N+](=O)[O-])nc(N)n1	73168094	RFUCGPACEDLPEU-UHFFFAOYSA-N	277.288	0.974	5	1	CCBF	
CNC(=O)[C@@H]1C[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1	587234983	KINICIYZEFAADZ-PHDIDXHHSA-N	261.241	0.716	5	1	CCBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cnnc(O)c2[nH]1	587273093	DKIYESVPBYAESJ-LURJTMIESA-N	289.255	0.967	5	1	CCBF	
COC(=O)[C@@H](N)COC(=O)Nc1ccc([N+](=O)[O-])cc1	25963151	LTBJQBLBJUOQNP-VIFPVBQESA-N	283.240	0.644	5	1	CCBF	
O=[N+]([O-])c1cccnc1NCc1nc2c(O)ncnc2[nH]1	587269185	SGXSJXZYHSITKG-UHFFFAOYSA-N	287.239	0.974	5	1	CCBF	
O=C1CCC[C@@H]2[C@@H]3CCC[N+]4([O-])CCC[C@@](O)(CN12)[C@H]34	5085213	ANLHCMIGMWZZOT-QMLNIZRYSA-N	280.368	0.999	5	1	CCBF	biogenic,in-vitro
CC=C(C)C(=O)OC[C@@H]1[C@H](O)C[N@@+]2([O-])CCC[C@@H]12	2356321545	YQESXLVASGRVDC-FMSGJZPZSA-N	255.314	0.964	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@H](O)CN1[C@H]2[C@H]3CC[C@H](C3)[C@@H]21	195171271	RJNNQBPRUXIJEV-KUVHCVADSA-N	278.312	0.635	5	1	CCBF	
Cc1cc2[nH]c([C@@H](O)[C@@H](O)CO)nc2cc1[N+](=O)[O-]	586886252	ADBHSBATIHYSRB-UWVGGRQHSA-N	267.241	0.166	5	1	CCBF	
COC(=O)C1=Cc2cc([N+](=O)[O-])ccc2N(CCO)C1	1772592262	LRMFJDMLCJMMEE-UHFFFAOYSA-N	278.264	0.964	5	1	CCBF	
Cc1cc2[nH]c([C@@H](O)[C@H](O)C(=O)O)nc2cc1[N+](=O)[O-]	586893086	UPLBDYARPMLQFA-IUCAKERBSA-N	281.224	0.258	5	1	CCBF	
Cc1ccc([N+](=O)[O-])cc1N[C@H]1C[C@H](O)[C@@H](CO)O1	5740487	XGKMKROZJTWHQZ-QJPTWQEYSA-N	268.269	0.783	5	1	CCBF	
CC(C)=CC(=O)O[C@@H]1CC[N+]2([O-])CC=C(CO)[C@H]12	156351272	PXZBRZJAFRPJTG-AYBZEELNSA-N	253.298	0.884	5	1	CCBF	
O=C1[C@@H](O)CC[C@@H]2[C@H]3CCC[N@@+]4([O-])CCC[C@@H](CN12)[C@@H]34	255249788	NXUSOOFNXQATTQ-KXJSDCOFSA-N	280.368	0.855	5	1	CCBF	
O=[N+]([O-])c1ncnc2c1ncn2[C@@H]1O[C@@H](CO)C[C@@H]1F	5849452	NQDOAFJZPCKIGD-GOZTUDAPSA-N	283.219	0.352	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1ccnc1[N+](=O)[O-]	17213580	TYBQUHKTUFJRPR-QMMMGPOBSA-N	296.243	0.266	5	1	CCBF	
CC[S@@](=O)c1nnc(-c2nc([N+](=O)[O-])c[nH]2)s1	1857762863	VEISKEYIMATDOJ-QGZVFWFLSA-N	273.299	0.964	5	1	CCBF	
CCC(=O)N[C@H](C(=O)O)[C@H](O)c1ccc([N+](=O)[O-])cc1	238783776	IHPKJPKRXPGBSW-WDEREUQCSA-N	282.252	0.608	5	1	CCBF	
CCNC(=O)CCc1nc2cc([N+](=O)[O-])cnc2[nH]1	587230938	OVPMAMCWSQOJCQ-UHFFFAOYSA-N	263.257	0.935	5	1	CCBF	
C[C@H]1[C@@H](C)[N@]1C[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])o1	1857567146	IADIVOKJOXWQEH-XULOGPSESA-N	283.284	0.371	5	1	CCBF	
CSc1nc2nc3ccccc3[n+]([O-])c2c(=O)n1C	101155375	OAGLGDWQLWKSRR-UHFFFAOYSA-N	274.305	0.837	5	1	CCBF	
O=c1[nH]c2cc([N+](=O)[O-])ccc2cc1-c1nnn[nH]1	13745397	SRJVNCHUOTVNSZ-UHFFFAOYSA-N	258.197	0.616	5	1	CCBF	
CC(=O)OCCNc1nc2scnn2c(=O)c1[N+](=O)[O-]	1857602342	DQADSQNALOUMTP-UHFFFAOYSA-N	299.268	0.034	5	1	CCBF	
CCNC(=S)Nc1cc(-n2cnc([N+](=O)[O-])c2)ncn1	1772582921	NFLHEGQKRPZOGL-UHFFFAOYSA-N	293.312	0.877	5	1	CCBF	
COC(=O)CSc1cc([N+](=O)[O-])ccc1C(N)=O	3671596	ZMDSBYLYHKAURH-UHFFFAOYSA-N	270.266	0.959	5	1	CCBF	
CC1=NC(=CC2=CC=C[C@@H]([N+](=O)[O-])[C@@H]2O)C(=O)O1	2356847407	LQYUEYGNZKEACU-NXEZZACHSA-N	250.210	0.348	5	1	CCBF	
C[C@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	84587968	QTPMHRPRINTUFR-ZCFIWIBFSA-O	287.775	0.119	5	1	CCBF	
CCNC(=O)CCc1nc2cncc([N+](=O)[O-])c2[nH]1	587229780	CXPKLROPALMKIS-UHFFFAOYSA-N	263.257	0.935	5	1	CCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2ccnc(O)c2[nH]1	587274284	IGAZYMSLEGRHFY-UHFFFAOYSA-N	260.213	0.972	5	1	CCBF	
O=C(O)C1=C[C@H](O)[C@@H](O)[C@H](Oc2ccc([N+](=O)[O-])cc2)O1	28758320	QOFLFSIACWCTBJ-MKPLZMMCSA-N	297.219	0.020	5	1	CCBF	
O=[N+]([O-])c1ccc([C@@H]2CNCCNCCNCCN2)cc1	29126367	MCSKGQUYEDMUHI-AWEZNQCLSA-N	293.371	0.008	5	1	CCBF	
O=c1cc[c-](/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1O	169688965	QUISAHKPLANFGA-DUXPYHPUSA-N	290.211	0.339	5	1	CCBF	
C[C@@H]1OC(c2nc3c([N+](=O)[O-])cccn3n2)=C[C@@H](O)[C@H]1O	40554839	BCPHPLLFNDSWGY-IONOHQLYSA-N	292.251	0.119	5	1	CCBF	
CCC(=O)N1CCN(C(=O)c2noc(C)c2[N+](=O)[O-])CC1	73199350	MZHLQKMBAAPXDG-UHFFFAOYSA-N	296.283	0.586	5	1	CCBF	
COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)Cn1cnnn1	169321226	KKJIUOPQZUOJTI-UXBLZVDNSA-N	289.251	0.838	5	1	CCBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C[C@H](N)C(N)=O	587647038	DFWMCEXLUZHEAO-QMMMGPOBSA-N	262.269	0.740	5	1	CCBF	
O=[N+]([O-])c1ccn(CCCc2nc3c(O)ncnc3[nH]2)n1	587273987	REDVKUXCBXIYSN-UHFFFAOYSA-N	289.255	0.796	5	1	CCBF	
CCOC(=O)CN1CCN(Cc2ccc([N+](=O)[O-])o2)CC1	1857757428	WYMXHWRFPZKZLH-UHFFFAOYSA-N	297.311	0.869	5	1	CCBF	
N[C@@H](CP(=O)(O)O)c1nc2cncc([N+](=O)[O-])c2[nH]1	586920515	SQAIKQROSRYBQZ-BYPYZUCNSA-N	287.172	0.044	5	1	CCBF	
N[C@@H](Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)O	1903209	JZHILFCUIHARMU-LURJTMIESA-N	271.185	0.163	5	1	CCBF	
O=C(CCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCOC1=O	40979673	ZDLUJCXPYPMMQL-NSHDSACASA-N	278.264	0.959	5	1	CCBF	
CS(=O)(=O)/C=C/c1nc2cncc([N+](=O)[O-])c2[nH]1	586927117	STOUUYBZTOSYSH-NSCUHMNNSA-N	268.254	0.881	5	1	CCBF	
Nc1ncnc2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc12	587273715	OCLBEGWATHYWBL-UHFFFAOYSA-N	288.271	0.673	5	1	CCBF	
O=[N+]([O-])[C@@]12[C@H]3C[C@H]4[C@@H]5[C@H]3[C@@H]3[C@@H]1C[C@H]([C@]53[N+](=O)[O-])[C@]42[N+](=O)[O-]	195517714	RXCMFTUHBJCCIY-DMKXYLACSA-N	293.235	0.208	5	1	CCBF	
COC(=O)[C@@H](N)CNC(=O)Nc1ccc([N+](=O)[O-])cc1	25963519	KGLJLLUJLCEFOY-VIFPVBQESA-N	282.256	0.217	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)Cn1cnc([N+](=O)[O-])c1	1772649746	WWOCTHJYPUFDKJ-MRVPVSSYSA-N	296.243	0.266	5	1	CCBF	
N[C@H](C[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O)C(=O)O	13491576	KGIQVUNIAHQWJR-WCBMZHEXSA-N	282.252	0.640	5	1	CCBF	
O=C(O)C[C@@H](O)Cc1nc2ccc([N+](=O)[O-])cc2[nH]1	586890260	NPCZDNAGWPPNQG-ZETCQYMHSA-N	265.225	0.849	5	1	CCBF	
C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)CCCCC(=O)O	96086034	BSVHAXJKBCWVDA-JTQLQIEISA-O	290.336	0.724	5	1	CCBF	in-vitro
Cc1ccoc1C(=O)NCCCn1cnc([N+](=O)[O-])n1	299820419	BICPSHURFJTOBV-UHFFFAOYSA-N	279.256	0.908	5	1	CCBF	
O=C(O)[C@@H](O)[C@@H](O)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	586892567	TVTAHWHFOWMBSV-SFYZADRCSA-N	285.187	0.089	5	1	CCBF	
N=c1nc(O)c2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2[nH]1	587267722	DZBOEJJIQULFDK-UHFFFAOYSA-N	288.227	0.023	5	1	CCBF	
O=[N+]([O-])c1cncc2nc(CC3OCCO3)[nH]c12	586908682	QAGMMLDEPXCLHM-UHFFFAOYSA-N	250.214	0.782	5	1	CCBF	
O=c1nc2n3c4c(cccc4nc-2c(=O)[nH]1)CCC3	1863080	OQJAPRAMRPMGOB-UHFFFAOYSA-N	254.249	0.531	5	1	CCBF	
CN(C)[N+](=O)NOc1cc(O)c([N+](=O)[O-])cc1[N+](=O)[O-]	377815268	UVPDCFIWKTYLOU-UHFFFAOYSA-O	288.196	0.263	5	1	CCBF	
Nc1nc(=O)c([C@@H](C[N+](=O)[O-])c2ccccc2)c(N)[nH]1	38328609	QXGJCLMHMQOSHB-QMMMGPOBSA-N	275.268	0.343	5	1	CCBF	
O=[N+]([O-])[C@]12[C@H]3[C@@H]4C[C@H]1[C@]1([N+](=O)[O-])[C@H]5C[C@@H]([C@H]3[C@H]52)[C@]41[N+](=O)[O-]	195517708	RXCMFTUHBJCCIY-ONIRZYQWSA-N	293.235	0.208	5	1	CCBF	
Nc1cnc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)nc1	587252611	FWTOOZFYWHUSSY-UHFFFAOYSA-N	257.213	0.905	5	1	CCBF	
O=C1C=C[C@@H]2O[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H](O)[C@@H]2O1	34063001	BGZWJEQBQOQIAV-WKSBVSIWSA-N	277.232	0.877	5	1	CCBF	
Nc1nc2ncn(Cc3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]1	27186439	QIUWNHBWOZFDDK-UHFFFAOYSA-N	286.251	0.658	5	1	CCBF	
O=[N+]([O-])c1ncnc2c1ncn2[C@H]1O[C@@H](CO)C[C@@H]1F	5849450	NQDOAFJZPCKIGD-KORWRZNCSA-N	283.219	0.352	5	1	CCBF	
Cc1cc2nc3c(=O)[nH]c(O)nc3nc2c([N+](=O)[O-])c1N	4789606	XGBHHSJBHHCUHP-UHFFFAOYSA-N	288.223	0.371	5	3	CCBF	
CN(C)CCNC(=O)c1cccc(CO)c1[N+](=O)[O-]	1628500	ZEFCTNZYVRSQOU-UHFFFAOYSA-N	267.285	0.379	5	1	CCBF	
O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1	587970701	NCPXUNMXGYKCMA-AYMMMOKOSA-N	291.219	0.970	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CNCC(C)C	98084986	SWNXKOQHFIJCND-JTQLQIEISA-N	256.306	0.706	5	1	CCBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(N)ncnc2[nH]1	587273120	DYBWAKUELAAKEO-ZCFIWIBFSA-N	288.271	0.844	5	1	CCBF	
O=[N+]([O-])c1ccn(Cc2ccc3c(O)nc(O)nc3n2)n1	587553903	HXDNGNMSEJYMPS-UHFFFAOYSA-N	288.223	0.589	5	1	CCBF	
C[C@H]1OC(c2nc3c([N+](=O)[O-])cccn3n2)=C[C@@H](O)[C@@H]1O	28758204	BCPHPLLFNDSWGY-GTNGPMTGSA-N	292.251	0.119	5	1	CCBF	
O=C(CC(=O)c1nnn[nH]1)c1ccc([N+](=O)[O-])cc1	96915868	SXVANQQHEQZUCM-UHFFFAOYSA-N	261.197	0.564	5	1	CCBF	
CC[C@H](O)C[C@H](O)O[C@@H](CC(=O)O)C[N+](C)(C)C	85589602	PSRQDLCMEPQOQH-JBLDHEPKSA-O	264.342	0.032	5	1	CCBF	endogenous,in-man
CNC1=C([N+](=O)[O-])[C@@H](c2cccc(F)c2)N=C2N=CNN21	1911581136	HPBOZDZGFGMHAF-SECBINFHSA-N	290.258	0.750	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1CCn1ccnc1[N+](=O)[O-]	13216749	ODENVYIMKKHLKX-UHFFFAOYSA-N	266.217	0.905	5	1	CCBF	
O=C1CCC[C@@H]2[C@@H]3CCC[N+]4([O-])CCC[C@@](O)(CN12)[C@@H]34	238733695	ANLHCMIGMWZZOT-OUMNWZNLSA-N	280.368	0.999	5	1	CCBF	
N[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O	98208806	SWXVRWMORDWCRN-LURJTMIESA-N	270.201	0.327	5	1	CCBF	in-vitro
CN1C(=O)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c21	169344232	LLWVDJIBEPFWAH-UHFFFAOYSA-N	269.644	0.954	5	1	CCBF	
NS(=O)(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1	28564709	WUEDWPOZFNFODO-UHFFFAOYSA-N	252.198	0.933	5	1	CCBF	in-vivo
CC(=O)Nc1nnc(-c2ncc([N+](=O)[O-])n2C)s1	27442293	HHMHJEPXWOEARK-UHFFFAOYSA-N	268.258	0.805	5	1	CCBF	
O=C(NCCO)c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1	96272542	JRUOLNSFSFAYOZ-UHFFFAOYSA-N	276.252	0.707	5	1	CCBF	
CN(C)S(=O)(=O)CCc1nc2cccc([N+](=O)[O-])c2[nH]1	586932045	UCAHALKZESNKIY-UHFFFAOYSA-N	298.324	0.905	5	1	CCBF	
C[C@@H](N)C(=O)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	1772620750	DCLJJQIPTORYBL-SSDOTTSWSA-N	291.267	0.608	5	1	CCBF	
C/C=C(/C)C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12	5132509	HHIPTBVXCKBSAM-ZSXZLUMUSA-N	253.298	0.884	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@@H](O)CN1[C@H]2[C@H]3CC[C@H](C3)[C@H]21	8461889	RJNNQBPRUXIJEV-SXDCIQCLSA-N	278.312	0.635	5	1	CCBF	
Cn1nc([N+](=O)[O-])cc1-c1ccc2c(O)nc(O)nc2n1	587553254	GESYCTSUANZCKN-UHFFFAOYSA-N	288.223	0.745	5	1	CCBF	
O=[N+]([O-])[C@]12[C@@H]3[C@@H]4C[C@H]5[C@@H]3[C@@H]1[C@@H]1C[C@H]2[C@@]4([N+](=O)[O-])[C@]51[N+](=O)[O-]	195517712	RXCMFTUHBJCCIY-JILIELIZSA-N	293.235	0.208	5	1	CCBF	
CNC(=O)[C@H]1C[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1	587234984	KINICIYZEFAADZ-RITPCOANSA-N	261.241	0.716	5	1	CCBF	
O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1	587971146	USGYIYDHJWHZCC-KVSKUHBBSA-N	292.207	0.365	5	1	CCBF	
COCCOCCOCCOC(=O)NCC[N+](C)(C)C	71296191	FIVXOZZPFVYFNH-UHFFFAOYSA-O	293.384	0.098	5	1	CCBF	
O=[N+]([O-])c1cncc2nc(C[C@@H]3COCCO3)[nH]c12	586909935	KJMUBFSGDXIHFE-SSDOTTSWSA-N	264.241	0.824	5	1	CCBF	
O=C(O)C[C@@H](O)Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	586889294	KHDFGBYDWPBXTH-YFKPBYRVSA-N	283.215	0.988	5	1	CCBF	
O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](Oc2ccc([N+](=O)[O-])cc2)O1	28758317	QOFLFSIACWCTBJ-HLUHBDAQSA-N	297.219	0.020	5	1	CCBF	
CCN(CC)CC(=O)OCCn1c([N+](=O)[O-])cnc1C	72104743	NFIJCCYAAOWWMU-UHFFFAOYSA-N	284.316	0.985	5	1	CCBF	
CS(=O)(=O)CCOc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	27300527	LILXGHKWYDUVHW-UHFFFAOYSA-N	290.253	0.926	5	1	CCBF	
O=C(/C=C(\O)C(=O)O)NCc1ccc([N+](=O)[O-])cc1	101113866	MSLGEFAQNARLBV-UITAMQMPSA-N	266.209	0.738	5	1	CCBF	
COc1ccc([N+](=O)[O-])cc1[C@@H]1OC(=O)NC1=O	27868703	LIUALUDKHJDULO-QMMMGPOBSA-N	252.182	0.911	5	1	CCBF	
Nc1ncc(-c2nc3ncc[nH]c-3n2)cc1[N+](=O)[O-]	587268216	PACBTAVDOFKKNI-UHFFFAOYSA-N	257.213	0.857	5	1	CCBF	
O=[N+]([O-])c1cn(Cc2nc(O)nc(O)c2Cl)cn1	13607778	SGTJZAHLXLCQGW-UHFFFAOYSA-N	271.620	0.694	5	1	CCBF	
N=C(N)c1ccc(Nc2ncnc(N)c2[N+](=O)[O-])cc1	473152401	TXPLLGOPPBIKLA-UHFFFAOYSA-N	273.256	0.995	5	1	CCBF	
Nc1nc(=O)c([C@H](C[N+](=O)[O-])c2ccccc2)c(N)[nH]1	38328608	QXGJCLMHMQOSHB-MRVPVSSYSA-N	275.268	0.343	5	1	CCBF	
CCN1CCc2c(c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1	13743338	OXXLAGYYFRECTN-UHFFFAOYSA-N	290.279	0.503	5	1	CCBF	
CC(C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CCC[C@@H]12)[C@@H](C)O	14417672	ZKRKVSLSTMOPAL-UOWYSBCISA-N	299.367	0.715	5	1	CCBF	
O=[N+]([O-])c1ccc2ncc(N3CCNCC3)nc2c1	25966660	YVJPQBRGBKYLRH-UHFFFAOYSA-N	259.269	0.948	5	1	CCBF	
C/C=C(/C)C(=O)O[C@H]1CC[N+]2([O-])CC=C(CO)[C@H]12	14724098	PCXBVCXCFQSVMD-LYKZDDOGSA-N	253.298	0.884	5	1	CCBF	
CN(C)CCS(=O)(=O)NCc1ccc([N+](=O)[O-])cc1	103249045	JRMONAKJJLIUMK-UHFFFAOYSA-N	287.341	0.576	5	1	CCBF	
Cn1cc([N+](=O)[O-])cc1C(=O)NCCCNCCCCN	26018727	SYGINHHRZXOSCG-UHFFFAOYSA-N	297.359	0.382	5	1	CCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3ncc[nH]c-3n2)[C@H]1C[N+](=O)[O-]	587263135	KCWUEJWDPMOXRV-HLTSFMKQSA-N	289.295	0.965	5	1	CCBF	
O=c1[nH]c2cc(-n3ccnc3)cc([N+](=O)[O-])c2nc1O	13734426	CSJLKCCGNKAAJZ-UHFFFAOYSA-N	273.208	0.723	5	1	CCBF	
O=[N+]([O-])c1ccc2ccn([C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)c2c1	4123387	PCPAZZZWEYHKDO-FVCCEPFGSA-N	294.263	0.161	5	1	CCBF	
COc1nn(Cc2ccc([N+](=O)[O-])cc2)c(=O)o1	473136357	QGNNHLOILBXKDA-UHFFFAOYSA-N	251.198	0.801	5	1	CCBF	
Cn1c(=O)c2c(nc3c4ccccc4ncn32)n(C)c1=O	28648571	ZXQUTONGIADWTO-UHFFFAOYSA-N	281.275	0.433	5	1	CCBF	
Cc1cc2[nH]c([C@H](O)[C@H](O)CO)nc2cc1[N+](=O)[O-]	586886234	ADBHSBATIHYSRB-NXEZZACHSA-N	267.241	0.166	5	1	CCBF	
NCC(=O)N[C@H]1CCO[C@H](c2cccc([N+](=O)[O-])c2)OC1	29123144	KZSOKXCHBBTHLR-GWCFXTLKSA-N	295.295	0.474	5	1	CCBF	
Nc1nc[n+](Cc2ccc([N+](=O)[O-])cc2)c2nc[nH]c12	59288823	YBCOEMFUPMTGCZ-UHFFFAOYSA-O	271.260	0.784	5	1	CCBF	
CC(C)(CO)[C@@H](O)c1nc2cncc([N+](=O)[O-])c2[nH]1	586900152	AIBNJPAPLSRQMX-VIFPVBQESA-N	266.257	0.918	5	1	CCBF	
CCC(=O)N[C@@H](C(=O)O)[C@@H](O)c1ccc([N+](=O)[O-])cc1	2356862642	IHPKJPKRXPGBSW-MNOVXSKESA-N	282.252	0.608	5	1	CCBF	
CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](NCCO)[C@@H]1O	29341033	CJNDDWWNRSVXRY-NEPJUHHUSA-N	282.296	0.750	5	1	CCBF	
COc1ccc(Nc2n[nH]nc2C(N)=O)c([N+](=O)[O-])c1	34460719	KNWPDZKCCUBWTA-UHFFFAOYSA-N	278.228	0.564	5	1	CCBF	
O=[N+]([O-])c1cnc2[nH]c(C3(O)CCOCC3)nc2c1	586912871	HDAWLOIEMYGLKA-UHFFFAOYSA-N	264.241	0.864	5	1	CCBF	
CC(=O)N[C@H](CO)COc1ccc([N+](=O)[O-])cc1	2178319868	FGZRHQIWLDBDBY-SECBINFHSA-N	254.242	0.471	5	1	CCBF	
C[C@H](c1nc2cnnc(O)c2[nH]1)n1cc([N+](=O)[O-])cn1	587277404	VJDKFKMIEDIQTQ-RXMQYKEDSA-N	275.228	0.773	5	1	CCBF	
Cc1nc2c([N+](=O)[O-])csc2c(=O)n1CC(=O)O	1857539800	YREKGODTGNXVGH-UHFFFAOYSA-N	269.238	0.759	5	1	CCBF	
COc1nn(Cc2ccccc2[N+](=O)[O-])c(=O)o1	473136934	VIQGNRSEMDUNSN-UHFFFAOYSA-N	251.198	0.801	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@H](O)C[N@]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	1857536626	RJNNQBPRUXIJEV-OKBUESHPSA-N	278.312	0.635	5	1	CCBF	
O=C(CCc1ccc([N+](=O)[O-])cc1)N1C[C@@H](O)[C@H](O)C1	1772627894	PSWVTRNREGIGBU-VXGBXAGGSA-N	280.280	0.091	5	1	CCBF	
C[C@H]1OC(c2nc3c([N+](=O)[O-])cccn3n2)=C[C@H](O)[C@@H]1O	28758210	BCPHPLLFNDSWGY-KDILMLJESA-N	292.251	0.119	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)CN1CCCCC1	1772586832	PVZRNYWFZWRAGI-LLVKDONJSA-N	268.317	0.947	5	1	CCBF	
O=[N+]([O-])c1cc(-[n+]2cc(O)on2)ccc1N1CCC1	5500353	ACILEPOSWOIEFE-UHFFFAOYSA-O	263.233	0.775	5	1	CCBF	
O=C(O)[C@H]1[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@H]1C(=O)O	587971147	USGYIYDHJWHZCC-POBXSPIYSA-N	292.207	0.365	5	1	CCBF	
C[C@H]1O[C@@H](c2cccc([N+](=O)[O-])c2)OC[C@H]1NC(=O)CN	29123323	LFGPRWUKSPYEQC-DYLAAIIWSA-N	295.295	0.472	5	1	CCBF	
COc1cc(OC)c([N+](=O)[O-])c2c1[C@@H](O)OC2=O	28821242	YQPNORQHVGLSRL-VIFPVBQESA-N	255.182	0.773	5	1	CCBF	
CC1=NC(=CC2=CC=C[C@H]([N+](=O)[O-])[C@H]2O)C(=O)O1	2356847408	LQYUEYGNZKEACU-UWVGGRQHSA-N	250.210	0.348	5	1	CCBF	
CCOC(=O)[C@@H](O)Cc1nc2sccn2c1[N+](=O)[O-]	49048830	BZLPRXDTEBJWMF-ZETCQYMHSA-N	285.281	0.771	5	1	CCBF	
O=C(O)[C@H](O)[C@H](O)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	586892565	TVTAHWHFOWMBSV-JGVFFNPUSA-N	285.187	0.089	5	1	CCBF	
C[C@H](c1nc2c[nH]c(=N)[nH]c-2n1)n1cc([N+](=O)[O-])cn1	587276608	NCVVYHXUERGION-RXMQYKEDSA-N	274.244	0.431	5	1	CCBF	
O=[N+]([O-])c1ncnc2c1ncn2[C@@H]1O[C@@H](CO)C[C@H]1F	1635106	NQDOAFJZPCKIGD-OXOINMOOSA-N	283.219	0.352	5	1	CCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2cc[nH]c(=N)c2[nH]1	587274167	GJUDAUYTYMXYAW-UHFFFAOYSA-N	259.229	0.679	5	1	CCBF	
CN1C[C@]2([N+](=O)[O-])CC=C(Cl)[C@@]([N+](=O)[O-])(C1)C2	169294795	BMBIGPHAIRCTCY-IUCAKERBSA-N	261.665	0.879	5	1	CCBF	
NC(=O)NCCC[C@H](N)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587258720	BSKGKPXQWMQIFN-ZETCQYMHSA-N	293.287	0.314	5	1	CCBF	
NCC(=O)N[C@H]1CCO[C@H](c2ccc([N+](=O)[O-])cc2)OC1	29123143	LVZGITQLIVMNBH-GWCFXTLKSA-N	295.295	0.474	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2ncc[nH]c-2n1	587272907	BGKBWRWNTLZWKU-UHFFFAOYSA-N	259.229	0.766	5	1	CCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2c(N)ccnc2[nH]1	587273598	DUINPJNAQDFJAV-UHFFFAOYSA-N	259.229	0.849	5	1	CCBF	
O=C(O)C[C@@H](O)Cc1nc2cc([N+](=O)[O-])cnc2[nH]1	586892101	SPQIOOBDADMRPS-LURJTMIESA-N	266.213	0.244	5	1	CCBF	
COc1nn(CCOCCN)c2ccc([N+](=O)[O-])cc12	103254361	IHHXIJWWGUUMBZ-UHFFFAOYSA-N	280.284	0.928	5	1	CCBF	
CN(C)S(=O)(=O)CCc1nc2cc([N+](=O)[O-])cnc2[nH]1	586931992	RKEDLYWQQPHNPN-UHFFFAOYSA-N	299.312	0.300	5	1	CCBF	
COc1ccc([N+](=O)[O-])cc1[C@H]1OC(=O)NC1=O	27868709	LIUALUDKHJDULO-MRVPVSSYSA-N	252.182	0.911	5	1	CCBF	
Nn1nnnc1SCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	169331300	YNBRFQZZSOOVJZ-UHFFFAOYSA-N	297.256	0.496	5	1	CCBF	
Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc21	13759218	WCJZZVSNOGEBQJ-UHFFFAOYSA-N	287.235	0.321	5	1	CCBF	
O=C(CC[N+](=O)[O-])N1CCN(Cc2ccccc2)CC1	72114514	UXQFTVQOTDHRLB-UHFFFAOYSA-N	277.324	0.998	5	1	CCBF	
CN(C)CCN1CC(=O)N(C)c2cc([N+](=O)[O-])ccc21	473136208	NYOHQXLSBLDHSV-UHFFFAOYSA-N	278.312	0.939	5	1	CCBF	
CC(=O)N[C@@H](CO)[C@@H](OC(C)=O)c1ccc([N+](=O)[O-])cc1	2356815986	GJPURVFMYFOQOY-STQMWFEESA-N	296.279	0.696	5	1	CCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(C(N)=O)cc2[nH]1	587273695	FRUTZABCJJDKHW-UHFFFAOYSA-N	286.251	0.971	5	1	CCBF	
O=C1CC[C@@H](C(=O)Oc2ccccc2[N+](=O)[O-])N1	1857767794	UELOAWLDROCSQG-ZETCQYMHSA-N	250.210	0.779	5	1	CCBF	
CS(=O)(=O)/C=C\c1nc2cncc([N+](=O)[O-])c2[nH]1	586927113	STOUUYBZTOSYSH-IHWYPQMZSA-N	268.254	0.881	5	1	CCBF	
CS(=O)(=O)/C=C/CNC(=O)c1ccc([N+](=O)[O-])cc1	1772651825	MQUKPAKBJNJAAS-KRXBUXKQSA-N	284.293	0.883	5	1	CCBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c[nH]c(=N)[nH]c-2n1	587267796	RBSIDBQZXRUVKR-ZCFIWIBFSA-N	288.271	0.739	5	1	CCBF	
COC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC	1842276	VONCWAQXCVELFQ-SNVBAGLBSA-O	286.285	0.488	5	1	CCBF	in-vitro
C[C@H](c1nc2c(O)ncnc2[nH]1)n1cc([N+](=O)[O-])cn1	587276618	NFUUJCSBQKQUJO-RXMQYKEDSA-N	275.228	0.773	5	1	CCBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c[nH]c(=N)[nH]c-2n1	587267795	RBSIDBQZXRUVKR-LURJTMIESA-N	288.271	0.739	5	1	CCBF	
CN1CC[N+]2(CC1)CCN([P@]1(=O)NCCCO1)CC2	101051425	AHPJOQMLXRRKCB-IBGZPJMESA-N	289.340	0.182	5	1	CCBF	
CCC[C@@H](O)C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	230542100	XYLDAPHHFZKKHL-NXEZZACHSA-O	262.326	0.240	5	1	CCBF	in-vitro
N=c1[nH]cc2nc(CCCn3ccc([N+](=O)[O-])n3)nc-2[nH]1	587272806	BXSRQNWSESTFHK-UHFFFAOYSA-N	288.271	0.455	5	1	CCBF	
O=C(O)[C@H]1[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@H]1C(=O)O	587970407	GUAUORJCPGHOCB-POBXSPIYSA-N	292.207	0.365	5	1	CCBF	
CC1=NC(=CC2=CC=C[C@H]([N+](=O)[O-])[C@@H]2O)C(=O)O1	2356847409	LQYUEYGNZKEACU-VHSXEESVSA-N	250.210	0.348	5	1	CCBF	
CC[C@@H](O)C[C@H](O)O[C@@H](CC(=O)O)C[N+](C)(C)C	85589604	PSRQDLCMEPQOQH-JFGNBEQYSA-O	264.342	0.032	5	1	CCBF	endogenous,in-man
COC(=O)CC[C@H](N)c1nc2cncc([N+](=O)[O-])c2[nH]1	587258887	FYPUNIGTHBVRPE-LURJTMIESA-N	279.256	0.819	5	1	CCBF	
C[C@H]1[C@@H](C)[N@@]1C[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])o1	1857567144	IADIVOKJOXWQEH-KSCJFIISSA-N	283.284	0.371	5	1	CCBF	
COC(=O)C[C@@H]1CCN(C#N)C[C@H]1CC[N+](=O)[O-]	5809786	BUKCXEOGJVKFAW-VHSXEESVSA-N	255.274	0.635	5	1	CCBF	
COc1cc2cc3c(=O)[nH]c(=O)[nH]c3nc2cc1OC	26580336	XDWPAFDJNAIIRZ-UHFFFAOYSA-N	273.248	0.782	5	1	CCBF	
CC1(C)OC(=O)C(c2nc3cc([N+](=O)[O-])cnc3[nH]2)=C1N	587255456	PUEVEADAYSDOJQ-UHFFFAOYSA-N	289.251	0.871	5	1	CCBF	
CC(=O)OCCOc1nc(C)cn2cc([N+](=O)[O-])nc12	1857555655	FGSXREPQRJXVDQ-UHFFFAOYSA-N	280.240	0.888	5	1	CCBF	
C[S@@](=O)c1nnc(-c2nc([N+](=O)[O-])c[nH]2)s1	1857640973	JLVCAFNFZMWNCY-MRXNPFEDSA-N	259.272	0.574	5	1	CCBF	
CN(C)S(=O)(=O)CCc1nc2cncc([N+](=O)[O-])c2[nH]1	586931340	ANQUJLIEBGBFEX-UHFFFAOYSA-N	299.312	0.300	5	1	CCBF	
O=C1CCC[C@@H]2[C@H]3CCC[N+]4([O-])CCC[C@@](O)(CN12)[C@@H]34	59587227	ANLHCMIGMWZZOT-WMOMQMFFSA-N	280.368	0.999	5	1	CCBF	biogenic,in-vitro
COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])Cn1cnnn1	169321231	GITWSTHNDAYDNS-UXBLZVDNSA-N	289.251	0.838	5	1	CCBF	
O=c1nc2n3c4c(cccc4nc-2c(=O)[nH]1)CC[C@H]3CO	29334600	UACGNJTZEKUGHF-QMMMGPOBSA-N	284.275	0.064	5	1	CCBF	
C[C@@H]1OC(c2nc3c([N+](=O)[O-])cccn3n2)=C[C@H](O)[C@H]1O	253634105	BCPHPLLFNDSWGY-HKPALBBZSA-N	292.251	0.119	5	1	CCBF	
COC(=O)[C@@H]1COC(c2cc([N+](=O)[O-])ccc2[N+](=O)[O-])=N1	73294717	YWZYXYXWYVIPHT-QMMMGPOBSA-N	295.207	0.821	5	1	CCBF	
O=C1CCN(Cc2ccc([N+](=O)[O-])cc2)CCN1CCO	12474635	ZAOYHTQERUZTJS-UHFFFAOYSA-N	293.323	0.621	5	3	CCBF	
O=C(CF)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	28759695	CHIFUCUCYPGAPP-MWLCHTKSSA-N	272.232	0.075	5	1	CCBF	
C[C@@H]1OC(c2nc3c([N+](=O)[O-])cccn3n2)=C[C@@H](O)[C@@H]1O	28758200	BCPHPLLFNDSWGY-SKWCMTHISA-N	292.251	0.119	5	1	CCBF	
O=[N+]([O-])C[C@H]1Cc2cc3c(O)nc(O)nc3nc2C1	587555674	QYLHPMOXSBBIFP-YFKPBYRVSA-N	262.225	0.428	5	1	CCBF	
O=c1nc2n3c4c(cccc4nc-2c(=O)[nH]1)CC[C@@H]3CO	29334603	UACGNJTZEKUGHF-MRVPVSSYSA-N	284.275	0.064	5	1	CCBF	
O=[N+]([O-])c1cc(NC[C@@H](O)CO)c(N2CC2)c([N+](=O)[O-])c1	66111781	XRJMCUNDFQPJJH-MRVPVSSYSA-N	298.255	0.088	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cnnc(O)c2[nH]1	587272939	BNUWJIIAEAPEDD-UHFFFAOYSA-N	275.228	0.520	5	1	CCBF	
O=[N+]([O-])c1ncnc2c1ncn2[C@H]1O[C@H](CO)C[C@@H]1F	17221021	NQDOAFJZPCKIGD-VGIXGZPDSA-N	283.219	0.352	5	1	CCBF	
NC(=O)NCCC[C@H](N)c1nc2cccc([N+](=O)[O-])c2[nH]1	587260482	XJCJTWUSSYRMFY-ZETCQYMHSA-N	292.299	0.919	5	1	CCBF	
O=[N+]([O-])c1cc(NC[C@H](O)CO)c(N2CC2)c([N+](=O)[O-])c1	66111780	XRJMCUNDFQPJJH-QMMMGPOBSA-N	298.255	0.088	5	1	CCBF	
O=C1CSC[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)N1	587044017	XMFIXBIMGLWYHX-SSDOTTSWSA-N	279.281	0.770	5	1	CCBF	
O=C(O)[C@H](O)Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	26950744	LKECPTMTKFUHNG-SSDOTTSWSA-N	272.169	0.197	5	1	CCBF	
O=[N+]([O-])c1cnn(Cc2ccc3c(O)nc(O)nc3n2)c1	587552718	CKFTZZYHIUSQMD-UHFFFAOYSA-N	288.223	0.589	5	1	CCBF	
N[C@H](Cc1ccc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C(=O)O	13765575	HGVGOHYWTZWBJN-RXMQYKEDSA-N	271.185	0.163	5	1	CCBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c[nH]c(=N)[nH]c-2n1	587274940	XFTHEGZFQFTKFR-LURJTMIESA-N	288.271	0.625	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@H](O)C[N@]1[C@H]2CCC[C@H]21	1857536615	OIDNCWWLMVXHET-LFNDISMMSA-N	252.274	0.389	5	1	CCBF	
Cn1c([N+](=O)[O-])cnc1C(=O)NCc1ccccn1	1772621505	HUNMZWDXVGKVQM-UHFFFAOYSA-N	261.241	0.653	5	1	CCBF	
O=C(CF)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	28759692	CHIFUCUCYPGAPP-KOLCDFICSA-N	272.232	0.075	5	1	CCBF	
O=C(O)[C@H]1C(c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1C(=O)O	587971105	SWLXATOMNSWBMF-YUMQZZPRSA-N	291.219	0.970	5	1	CCBF	
NC(=O)[C@H]1N=NS[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1	1649519	AKIMPIXQEHVDAG-XCBNKYQSSA-N	295.280	0.619	5	1	CCBF	
CCN1CNS(=O)(=O)c2cc([N+](=O)[O-])ccc21	28656218	QRGWPMWVXFXZBW-UHFFFAOYSA-N	257.271	0.671	5	1	CCBF	
NCCOCCOCCc1nc2cncc([N+](=O)[O-])c2[nH]1	587246256	NOFDJRNOGMHINP-UHFFFAOYSA-N	295.299	0.401	5	1	CCBF	
CNC(=O)[C@@H]1C[C@@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1	587235860	QUJSEDBNQPOHFQ-NKWVEPMBSA-N	261.241	0.716	5	1	CCBF	
O=C(CC[N+]12CN3CN(CN(C3)C1)C2)c1ccccc1	1857566967	KHVKQZNHAHUZRZ-UHFFFAOYSA-N	273.360	0.768	5	1	CCBF	
COCCNC(=O)[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1	8829397	FLBADOIHVFGZHV-LBPRGKRZSA-N	293.279	0.850	5	3	CCBF	
COc1c(C[C@@H](N)C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	25988738	IUPQXIODQFROQY-SSDOTTSWSA-N	285.212	0.466	5	1	CCBF	
O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n(O)c1=O	13759242	NVLCJYYASKEWFF-UHFFFAOYSA-N	289.207	0.021	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2c[nH]c(=N)[nH]c-2n1	587273128	FAAJTEKZXJYWGG-UHFFFAOYSA-N	274.244	0.178	5	1	CCBF	
O=C(O)CN1C(=O)CN(Cc2cccc([N+](=O)[O-])c2)C1=O	27756400	WEPUIGPGEPDNGO-UHFFFAOYSA-N	293.235	0.444	5	1	CCBF	
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C=O)c2cc1C	96086555	NNFAAJXZYIZSDJ-UHFFFAOYSA-N	270.248	0.240	5	1	CCBF	in-vitro
C[C@H](c1nc2c(O)nc(O)nc2[nH]1)n1cc([N+](=O)[O-])cn1	587275926	HPDXPMXSXNEOSB-SCSAIBSYSA-N	291.227	0.478	5	1	CCBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-n1[nH]nnc1=N	587648016	YKLSUNJXYHAOGH-UHFFFAOYSA-N	259.229	0.773	5	1	CCBF	
CC(=O)N1CCN(c2ncc([N+](=O)[O-])n2C)C1=O	5114161	ZZLOKNDFAWQLEW-UHFFFAOYSA-N	253.218	0.117	5	1	CCBF	
CC(C)NC(=O)[C@H](N)[C@@H](O)c1ccc([N+](=O)[O-])cc1	87672211	YVSONMWAIDTYON-MNOVXSKESA-N	267.285	0.480	5	1	CCBF	
CC=C(C)C(=O)OC[C@@H]1[C@H](O)C[N@+]2([O-])CCC[C@H]12	2356321544	YQESXLVASGRVDC-FMCLSXCISA-N	255.314	0.964	5	1	CCBF	
C[C@@H](c1nc2cnnc(O)c2[nH]1)n1cc([N+](=O)[O-])cn1	587277405	VJDKFKMIEDIQTQ-YFKPBYRVSA-N	275.228	0.773	5	1	CCBF	
C[C@H](c1nc2c(N)ncnc2[nH]1)n1cc([N+](=O)[O-])cn1	587275221	AFRDIJZJPBCOOA-RXMQYKEDSA-N	274.244	0.649	5	1	CCBF	
C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)/C=C/CCC(=O)O	96094860	XBOISISLTCYSPV-BREXMAIKSA-O	288.320	0.500	5	1	CCBF	in-vitro
O=C(O)C[C@H](O)Cc1nc2cc([N+](=O)[O-])cnc2[nH]1	586892102	SPQIOOBDADMRPS-ZCFIWIBFSA-N	266.213	0.244	5	1	CCBF	
CC(=O)N[C@@H](CO)[C@H](OC(C)=O)c1ccc([N+](=O)[O-])cc1	2356815985	GJPURVFMYFOQOY-QWHCGFSZSA-N	296.279	0.696	5	1	CCBF	
O=[N+]([O-])c1cc2nc([C@H](O)[C@@H](O)CO)[nH]c2cc1Cl	586891941	RJXBQJOBLIVICZ-DTWKUNHWSA-N	287.659	0.511	5	1	CCBF	
C[C@@H](O)CNc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-]	4661085	DVPPYKOVOKUAFQ-RXMQYKEDSA-N	256.218	0.878	5	3	CCBF	
O=c1nc(O)c([N+](=O)[O-])cn1-c1ccc([N+](=O)[O-])cc1	35963709	CYAAFLGWAUCWEF-UHFFFAOYSA-N	278.180	0.755	5	1	CCBF	
O=C(O)C1=C[C@@H](O)[C@H](O)[C@@H](Oc2ccc([N+](=O)[O-])cc2)O1	40554981	QOFLFSIACWCTBJ-QRTLGDNMSA-N	297.219	0.020	5	1	CCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1	587275107	UPTWNMHDDANQEZ-UHFFFAOYSA-N	294.662	0.679	5	1	CCBF	
C[S@](=O)c1nnc(-c2nc([N+](=O)[O-])c[nH]2)s1	1857640972	JLVCAFNFZMWNCY-INIZCTEOSA-N	259.272	0.574	5	1	CCBF	
O=[N+]([O-])c1cc2nc([C@H](O)[C@H](O)CO)[nH]c2cc1Cl	586891944	RJXBQJOBLIVICZ-RKDXNWHRSA-N	287.659	0.511	5	1	CCBF	
NC(=O)[C@@H]1N=NS[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1	1649520	AKIMPIXQEHVDAG-OIBJUYFYSA-N	295.280	0.619	5	1	CCBF	
N[C@H](CC(=O)O)c1cc2c(cc1[N+](=O)[O-])OCCO2	1857636506	UQPNMGULHIXWJT-SSDOTTSWSA-N	268.225	0.841	5	1	CCBF	
O=[N+]([O-])c1cc2nc(O)c3nnnn3c2cc1[N+](=O)[O-]	13726938	MIOQCKWPHKRFPZ-UHFFFAOYSA-N	277.156	0.195	5	1	CCBF	
C[N+](C)(C)CCCC[P@](=O)(O)CC[C@H](O)CO	59066661	JVJPJZKJPOLGJR-NSHDSACASA-O	268.314	0.487	5	1	CCBF	in-vitro
N=c1[nH]cc2nc(CNc3ncccc3[N+](=O)[O-])nc-2[nH]1	587269131	QSVDRYLMOSHUJO-UHFFFAOYSA-N	286.255	0.632	5	1	CCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2c(O)nc(O)nc2[nH]1	587275142	WFZAVHSFIZRTDG-UHFFFAOYSA-N	277.200	0.073	5	1	CCBF	
O=[N+]([O-])c1ccc2ccn([C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)c2c1	13152356	PCPAZZZWEYHKDO-RNJOBUHISA-N	294.263	0.161	5	1	CCBF	
O=C(O)c1nc2c(=O)[nH]c3cc([N+](=O)[O-])ccc3n2n1	13798630	NOBRJJXSWNMCKP-UHFFFAOYSA-N	275.180	0.177	5	1	CCBF	
NCC(=O)N[C@H]1CCO[C@@H](c2ccc([N+](=O)[O-])cc2)OC1	29123181	LVZGITQLIVMNBH-GXFFZTMASA-N	295.295	0.474	5	1	CCBF	
Cc1ccc([N+](=O)[O-])cc1N[C@H]1C[C@@H](O)[C@@H](CO)O1	13155077	XGKMKROZJTWHQZ-IJLUTSLNSA-N	268.269	0.783	5	1	CCBF	
O=[N+]([O-])c1cc2nc(O)c3nncn3c2cc1[N+](=O)[O-]	3915694	PPJIVCMFCYPTGX-UHFFFAOYSA-N	276.168	0.800	5	1	CCBF	
C[C@H]1[C@@H](C)N1C[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])o1	26507770	IADIVOKJOXWQEH-PIOMCPDWSA-N	283.284	0.371	5	1	CCBF	
O=C(O)[C@H](Cc1ccccc1)CC(O)(O)C[N+](=O)[O-]	39258292	CGGNZMVODZPHHK-SNVBAGLBSA-N	269.253	0.278	5	1	CCBF	in-vivo
Cn1c(=O)c([N+](=O)[O-])c(S(C)(=O)=O)c2ccccc21	95771609	DUKYYNYMYFHAJL-UHFFFAOYSA-N	282.277	0.850	5	1	CCBF	
O=C(O)CNCCNCc1nc2ccc([N+](=O)[O-])cc2[nH]1	587228905	JLKLFOJUIKQIPY-UHFFFAOYSA-N	293.283	0.235	5	1	CCBF	
CCN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1	13743357	DWEFIBGLGPTBOX-UHFFFAOYSA-N	290.279	0.503	5	1	CCBF	
COC(=O)[C@@H](N)CCC(=O)Nc1ccc([N+](=O)[O-])cc1	25963258	WKSQBJPGNJVZHM-JTQLQIEISA-N	281.268	0.814	5	1	CCBF	
Cc1nonc1CNCCn1c([N+](=O)[O-])cnc1C	40423938	FRTKPVDPKGCCNE-UHFFFAOYSA-N	266.261	0.581	5	1	CCBF	
NC(=O)c1c2nc3cc(C(=O)O)ccc3oc-2cc(=O)c1N	83924218	KWCIFDPCOYGUFV-UHFFFAOYSA-N	299.242	0.672	5	1	CCBF	in-vitro
C[C@H](O)[C@@H](C)C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	238781831	BFUHRGXPEKKLCB-KXUCPTDWSA-O	262.326	0.096	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2c(O)nc(O)nc2[nH]1	587274659	RRMQNITULITKOD-UHFFFAOYSA-N	291.227	0.226	5	1	CCBF	
CNS(=O)(=O)NCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1	586942751	IEOQCVCJVHDNPX-UHFFFAOYSA-N	299.312	0.333	5	1	CCBF	
Cn1c(-c2sccc2[N+](=O)[O-])nc(C(=O)O)c(O)c1=O	13683552	HVWIMZGMCCCTMN-UHFFFAOYSA-N	297.248	0.821	5	1	CCBF	
CN1C(=O)Nc2cc([N+](=O)[O-])ccc2[C@]12NC(=O)NC2=O	13455972	VERGEGRCVIWWNH-NSHDSACASA-N	291.223	0.064	5	1	CCBF	
NOCc1cc(OP(=O)(O)O)ccc1[N+](=O)[O-]	71329059	PNARIZOCGJYQBN-UHFFFAOYSA-N	264.130	0.457	5	1	CCBF	
Cn1cc([N+](=O)[O-])c(-c2ccc3c(O)nc(O)nc3n2)n1	587553276	GGNGIISUDZTLHV-UHFFFAOYSA-N	288.223	0.745	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@H](O)CN1[C@@H]2[C@@H]1[C@@H]1CC[C@@H]2C1	100834359	RJNNQBPRUXIJEV-GCHJQGSQSA-N	278.312	0.635	5	1	CCBF	
O=c1[nH]c2cc(-n3cccc3)c([N+](=O)[O-])cc2[nH]c1=O	18001	FNXUJFFLRGBKLM-UHFFFAOYSA-N	272.220	0.915	5	1	CCBF	
N[C@H](C(=O)O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O	35940736	QLEGIDOWJTWAHL-BDAKNGLRSA-N	268.225	0.250	5	1	CCBF	
C[N+](C)(C)CCCC[P@](=O)(O)CC[C@@H](O)CO	59066666	JVJPJZKJPOLGJR-LLVKDONJSA-O	268.314	0.487	5	1	CCBF	in-vitro
NC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)C1	103213447	XUTHIRRTXUTAER-UHFFFAOYSA-N	265.185	0.512	5	1	CCBF	
CC[C@H](O)C[C@@H](O)O[C@@H](CC(=O)O)C[N+](C)(C)C	85589593	PSRQDLCMEPQOQH-NHCYSSNCSA-O	264.342	0.032	5	1	CCBF	endogenous,in-man
Cc1ncc([N+](=O)[O-])n1Cc1nc2c(O)ncnc2[nH]1	587274698	SENUBJYRCBRIJQ-UHFFFAOYSA-N	275.228	0.520	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cncnc2[nH]1	587273172	FRZPTYZTKJWJMU-UHFFFAOYSA-N	259.229	0.814	5	1	CCBF	
CC1=C[C@@H]2[C@H](O1)[C@H]1C(=O)C=CC(=O)C1=C[C@H]2[N+](=O)[O-]	1655857	XGENLEJKGKDUAR-LQVCDDRESA-N	261.233	0.815	5	1	CCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2c(O)ncnc2[nH]1	587274787	MGMSNVMYVCZBJD-UHFFFAOYSA-N	261.201	0.367	5	1	CCBF	
COCc1cn(CCn2c([N+](=O)[O-])cnc2C)nn1	40916715	MNGXKKVEEMSGRT-UHFFFAOYSA-N	266.261	0.538	5	1	CCBF	
N=c1nc(O)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c[nH]1	587253922	SWPWFACJABCZQF-UHFFFAOYSA-N	273.212	0.441	5	1	CCBF	
CCOC(=O)Cc1nc2cncc([N+](=O)[O-])c2[nH]1	587777527	PBOKYTJYGRVZRS-UHFFFAOYSA-N	250.214	0.972	5	1	CCBF	
C[C@@H](c1nc2c(O)nc(=N)[nH]c2[nH]1)n1cc([N+](=O)[O-])cn1	587277164	PVVSKOZBMAZGPM-BYPYZUCNSA-N	290.243	0.185	5	1	CCBF	
CC1(C)CN1C[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])o1	26507779	LMLIIHWCSCTLRC-BVVIDWAXSA-N	283.284	0.373	5	1	CCBF	
NC(=O)c1c2nc3cc(CO)ccc3oc-2cc(=O)c1N	140822872	HNZCCGYVANEENU-UHFFFAOYSA-N	285.259	0.466	5	1	CCBF	
CC=C(C)C(=O)OC[C@@H]1[C@H](O)C[N@@+]2([O-])CCC[C@H]12	2356321546	YQESXLVASGRVDC-SFTQSGBHSA-N	255.314	0.964	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@@H](O)CN1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	253635556	RJNNQBPRUXIJEV-NLSAWCHPSA-N	278.312	0.635	5	1	CCBF	
COC(=O)[C@@H]1COC(c2ccc([N+](=O)[O-])cc2)=N1	49067350	DPCQOTNRLYXKHU-VIFPVBQESA-N	250.210	0.913	5	1	CCBF	
O=[N+]([O-])[C@@]12[C@H]3C[C@H]4[C@H]5[C@H]3[C@@H]3[C@@H]1C[C@H]([C@@]35[N+](=O)[O-])[C@]42[N+](=O)[O-]	195517710	RXCMFTUHBJCCIY-BPUYHBCVSA-N	293.235	0.208	5	1	CCBF	
CNc1nc2nonc2n2c(=O)c3ccccc3nc12	82053386	YDYJFHAZFWJYLV-UHFFFAOYSA-N	268.236	0.821	5	1	CCBF	
O=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1Cl	13813806	UTOKQYCFEAMQLH-UHFFFAOYSA-N	252.635	0.916	5	1	CCBF	
O=C(O)COCc1nc2cc([N+](=O)[O-])cnc2[nH]1	587563636	GVBNLZCKAKUPLL-UHFFFAOYSA-N	252.186	0.467	5	1	CCBF	
CCc1nc2c(n1)c1c(non1O)c1c2no[n+]1[O-]	100436635	DCQSADDNJAFBHP-UHFFFAOYSA-N	262.185	0.147	5	3	CCBF	
COC(=O)c1cc([N+](=O)[O-])c(CO)c([N+](=O)[O-])c1	2178320152	LGQQRRBXUNUISK-UHFFFAOYSA-N	256.170	0.782	5	1	CCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3ncc[nH]c-3n2)[C@@H]1C[N+](=O)[O-]	587263137	KCWUEJWDPMOXRV-IWSPIJDZSA-N	289.295	0.965	5	1	CCBF	
Cn1ncc([N+](=O)[O-])c1-c1ccc2c(O)nc(O)nc2n1	587555107	NWJFQFXAYQKCRR-UHFFFAOYSA-N	288.223	0.745	5	1	CCBF	
O=C(O)c1c(O)c(=O)[nH]c2ccc([N+](=O)[O-])cc12	84757669	YAIXTHNHNOAEEO-UHFFFAOYSA-N	250.166	0.840	5	1	CCBF	
Nc1nc(N)c([C@@H](C[N+](=O)[O-])c2ccc(F)cc2)c(N)n1	299832946	MKEHQNZOIMQRQP-QMMMGPOBSA-N	292.274	0.771	5	1	CCBF	
Nc1ncc(-c2nc3c(O)nc(O)nc3[nH]2)cc1[N+](=O)[O-]	587268150	MCHXTYNKQUCITA-UHFFFAOYSA-N	289.211	0.317	5	1	CCBF	
CN1C(=O)Nc2cc([N+](=O)[O-])ccc2[C@@]12NC(=O)NC2=O	13455968	VERGEGRCVIWWNH-LLVKDONJSA-N	291.223	0.064	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@@H](O)C[N@]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	1857536625	RJNNQBPRUXIJEV-DBNZTLBFSA-N	278.312	0.635	5	1	CCBF	
CC(C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CCC[C@@H]12)[C@H](C)O	2014736	ZKRKVSLSTMOPAL-DEUKRALOSA-N	299.367	0.715	5	1	CCBF	
N[C@@H](CP(=O)(O)O)c1nc2cccc([N+](=O)[O-])c2[nH]1	586919595	CCYIRVIKXVLHKL-YFKPBYRVSA-N	286.184	0.649	5	1	CCBF	
COc1cc([N+](=O)[O-])ccc1N(C)S(C)(=O)=O	13682032	GJDMUUMQUOZBJD-UHFFFAOYSA-N	260.271	0.999	5	1	CCBF	
O=[N+]([O-])c1ccc(-n2[nH]c(=[N+]3CCOCC3)cc2O)cc1	169693758	WITCNJVHXPNMCT-UHFFFAOYSA-O	291.287	0.222	5	1	CCBF	
O=c1[nH]c2cc(-n3cccn3)c([N+](=O)[O-])cc2[nH]c1=O	13734409	CITZIOUTFOELTI-UHFFFAOYSA-N	273.208	0.310	5	1	CCBF	
NCCCNc1ccc(CNCCN)cc1[N+](=O)[O-]	169328767	VNHMUNZRPCGEHB-UHFFFAOYSA-N	267.333	0.404	5	1	CCBF	
CC1(C)C[N@@]1C[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])o1	1857536631	LMLIIHWCSCTLRC-XLKFXECMSA-N	283.284	0.373	5	1	CCBF	
CC(=O)NCc1nc(-c2ccc([N+](=O)[O-])o2)no1	5160310	KOURBVJNDMXAMA-UHFFFAOYSA-N	252.186	0.874	5	1	CCBF	
O=c1cc(NNc2ccc([N+](=O)[O-])cc2)[nH]c(=O)[nH]1	169343205	XVOVVENPIDHITC-UHFFFAOYSA-N	263.213	0.410	5	1	CCBF	
O=c1[nH]c2cc(-c3c[nH]cn3)c([N+](=O)[O-])cc2[nH]c1=O	13734412	CCDMTBWWYPHEAW-UHFFFAOYSA-N	273.208	0.515	5	1	CCBF	
CN1CCN(c2ccc([N+](=O)[O-])c3[nH]o[n+](=O)c23)CC1	137011020	FBQUXOFULXCNLB-UHFFFAOYSA-N	280.264	0.335	5	1	CCBF	
CCOC(=O)[C@H](O)Cc1nc2sccn2c1[N+](=O)[O-]	49048826	BZLPRXDTEBJWMF-SSDOTTSWSA-N	285.281	0.771	5	1	CCBF	
CCC(=O)N[C@@H](C(=O)O)[C@H](O)c1ccc([N+](=O)[O-])cc1	2356862640	IHPKJPKRXPGBSW-GHMZBOCLSA-N	282.252	0.608	5	1	CCBF	
CNc1nc2n(C)c3ccccc3[n+]([O-])c-2c(=O)n1	101163085	XDSZDOMQRRNPDD-UHFFFAOYSA-N	257.253	0.108	5	1	CCBF	
CC(=O)c1cc([N+](=O)[O-])cc(C(=O)Nc2nnn[nH]2)c1O	39374978	IRKYIBSGEGYYMJ-UHFFFAOYSA-N	292.211	0.268	5	1	CCBF	
O=[N+]([O-])C[C@@H]1CCc2nc3nc(O)nc(O)c3cc21	587555785	RXRWVRSZGNRDAC-YFKPBYRVSA-N	262.225	0.743	5	1	CCBF	
CNC1=C([N+](=O)[O-])[C@H](c2ccccc2)N=C2N=CNN21	1911573594	VFHHYQOZQNJLFE-VIFPVBQESA-N	272.268	0.611	5	1	CCBF	
O=[N+]([O-])c1cccc2nccc(NC[C@@H](O)CO)c12	1630227	KJGLKYMXDHYJFX-MRVPVSSYSA-N	263.253	0.908	5	1	CCBF	
CC1(C)C[N@]1C[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])o1	1857536628	LMLIIHWCSCTLRC-CLAHSXSESA-N	283.284	0.373	5	1	CCBF	
O=C(O)Cn1c(O)cn(Cc2cccc([N+](=O)[O-])c2)c1=O	169715177	FWRVDWSUBDQMQA-UHFFFAOYSA-N	293.235	0.397	5	1	CCBF	
CN1C[C@H]2[C@@H](C1=O)[C@H](c1ccc([N+](=O)[O-])cc1)ON2C	6003965	MHADFMPWEVDBQT-TUAOUCFPSA-N	277.280	0.970	5	1	CCBF	
O=c1cc(NC[C@H](O)CO)nc2c3ccccc3ccn12	13608209	NJCZAQHGUGQOAO-NSHDSACASA-N	285.303	0.613	5	1	CCBF	
O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)nc2nc1O	13755437	OCEDPPPKQBHDND-UHFFFAOYSA-N	274.196	0.118	5	1	CCBF	
N[C@H](C(=O)O)[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O	40379951	FPDMUWWSLNFNHR-BDAKNGLRSA-N	268.225	0.250	5	1	CCBF	
O=c1[nH]c2cc(CN3CCC3)c([N+](=O)[O-])cc2[nH]c1=O	27753923	XKYZCDUPXQYTMP-UHFFFAOYSA-N	276.252	0.330	5	1	CCBF	
CSc1nc2n(C)c3ccccc3[n+]([O-])c-2c(=O)n1	101138211	GZCWXXLDCVBCGA-UHFFFAOYSA-N	274.305	0.789	5	1	CCBF	
Cn1c([N+](=O)[O-])cnc1[S@@](=O)CCCCC(=O)O	169347012	LHAKGKYKEGFOLV-SFHVURJKSA-N	275.286	0.691	5	1	CCBF	
Cn1c(=O)[nH]c2c(cnn2-c2ccc([N+](=O)[O-])cc2)c1=N	100850418	LOJSKOZENAWLMA-UHFFFAOYSA-N	286.251	0.440	5	1	CCBF	
C[C@@H](c1nc2c(O)ncnc2[nH]1)n1cc([N+](=O)[O-])cn1	587276622	NFUUJCSBQKQUJO-YFKPBYRVSA-N	275.228	0.773	5	1	CCBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(O)ncnc2[nH]1	587274853	USJJBDLCHKLFDS-LURJTMIESA-N	289.255	0.967	5	1	CCBF	
Cc1ccc([C@H](C[N+](=O)[O-])c2c(N)nc(N)nc2N)cc1	299823948	CJBUAFVYYGEUPU-VIFPVBQESA-N	288.311	0.940	5	1	CCBF	
NS(=O)(=O)c1ccc(-c2nonc2[N+](=O)[O-])cc1	299839718	SSUBLXLGINXLPW-UHFFFAOYSA-N	270.226	0.292	5	1	CCBF	
O=C(O)[C@H]1[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1C(=O)O	587971104	SWLXATOMNSWBMF-WHUPJOBBSA-N	291.219	0.970	5	1	CCBF	
CC(=O)Nc1cc([N+](=O)[O-])c(C(=O)O)c([N+](=O)[O-])c1O	13603422	WPCARQWRKAHVHE-UHFFFAOYSA-N	285.168	0.865	5	1	CCBF	
NC(=O)NCCC[C@H](N)c1nc2cncc([N+](=O)[O-])c2[nH]1	587259058	GRHDHBZTWOGJSF-LURJTMIESA-N	293.287	0.314	5	1	CCBF	
CCOC(=O)c1[nH]c2c(OC)n[n+]([O-])cc2c1[N+](=O)[O-]	1732906	NGXUVZSCJKPLQY-UHFFFAOYSA-N	282.212	0.290	5	1	CCBF	
O=C(CO)Nc1cc2nc3c(O)cccc3oc-2cc1=O	2356806148	VOGCDJXDRRCHOJ-UHFFFAOYSA-N	286.243	0.929	5	1	CCBF	
CNC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	45319814	GMUWUPRHMISLDL-NSHDSACASA-N	290.279	0.969	5	1	CCBF	
CCn1c(C)nn2c(=O)c3ccccc3nc2c1=O	1628896	BWBUQQDZYNCYJK-UHFFFAOYSA-N	256.265	0.733	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@@H](O)CN1[C@H]2[C@@H]3CC[C@H](C3)[C@H]21	100834365	RJNNQBPRUXIJEV-HYNAIFSFSA-N	278.312	0.635	5	1	CCBF	
COc1cc(OC)c([N+](=O)[O-])c2c1[C@H](O)OC2=O	28821241	YQPNORQHVGLSRL-SECBINFHSA-N	255.182	0.773	5	1	CCBF	
CC1(C)C[N@]1C[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])o1	1857536630	LMLIIHWCSCTLRC-RTHLEPHNSA-N	283.284	0.373	5	1	CCBF	
C=C1NN=C(SCc2ccc([N+](=O)[O-])cc2)N(N)C1=O	957866325	NQBSPPXLTRETLZ-UHFFFAOYSA-N	293.308	0.918	5	1	CCBF	
O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1[N+](=O)[O-]	64633441	HUPDIVYMUZMPMO-UHFFFAOYSA-N	293.169	0.658	5	1	CCBF	in-vitro
O=[N+]([O-])c1ccc2ccn([C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)c2c1	4123386	PCPAZZZWEYHKDO-NDBYEHHHSA-N	294.263	0.161	5	1	CCBF	
O=C1CN(CCCO)c2ccc([N+](=O)[O-])cc2N1	473136394	QTICWWDIOITXFV-UHFFFAOYSA-N	251.242	0.736	5	1	CCBF	
Cc1cc2[nH]c([C@H](O)[C@@H](O)C(=O)O)nc2cc1[N+](=O)[O-]	586893087	UPLBDYARPMLQFA-RKDXNWHRSA-N	281.224	0.258	5	1	CCBF	
COc1ccc2c(c1)cc1c(=O)[nH]c(=O)nc-1n2C	28651808	GXEMBDDAKRZVCX-UHFFFAOYSA-N	257.249	0.735	5	1	CCBF	
O=C(O)C[C@H](O)Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	586889269	KHDFGBYDWPBXTH-RXMQYKEDSA-N	283.215	0.988	5	1	CCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2c(O)nc(S)nc2[nH]1	587274304	IPHURLGMLDQMSE-UHFFFAOYSA-N	293.268	0.656	5	1	CCBF	
C[C@H]1[C@@H](C)[N@@]1C[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])o1	1857567143	IADIVOKJOXWQEH-FJBRNLEUSA-N	283.284	0.371	5	1	CCBF	
O=C(CCc1ccc([N+](=O)[O-])cc1)N1C[C@H](O)[C@@H](O)C1	1772656684	PSWVTRNREGIGBU-RYUDHWBXSA-N	280.280	0.091	5	1	CCBF	
Cc1cnc([N+](=O)[O-])n1Cc1cn(CCF)nn1	95576132	YSZBTBOQNVASGA-UHFFFAOYSA-N	254.225	0.709	5	1	CCBF	
COC(=O)Cc1nc2ccc([N+](=O)[O-])cc2oc1=O	64513624	DWDHCCOKAXAEGX-UHFFFAOYSA-N	264.193	0.812	5	1	CCBF	
O=C1CSC[C@@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)N1	587044019	XMFIXBIMGLWYHX-ZETCQYMHSA-N	279.281	0.770	5	1	CCBF	
Cc1ccc2nc3c(=O)[nH]c(=O)nc-3n(C)c2c1C	1863079	OYHPAPUVZILAGG-UHFFFAOYSA-N	256.265	0.738	5	1	CCBF	
COc1ccc([N+](=O)[O-])c2c(NC[C@H](O)CO)ccnc12	3593783	QEMHBNJSUCBMEU-QMMMGPOBSA-N	293.279	0.917	5	1	CCBF	
CCC[C@@H](O)CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C	85589589	VYEONLJQPYRKAN-MNOVXSKESA-O	276.353	0.630	5	1	CCBF	endogenous,in-man
O=[N+]([O-])c1nccn1C[C@H](O)C[N@]1[C@H]2CCCC[C@H]21	1857536609	PYFVVJHOMNLKIO-KIGUWFBYSA-N	266.301	0.779	5	1	CCBF	
O=C(O)C1=C[C@H](O)[C@@H](O)[C@@H](Oc2ccc([N+](=O)[O-])cc2)O1	28758326	QOFLFSIACWCTBJ-XRNSZHNASA-N	297.219	0.020	5	1	CCBF	
CN(C)CCN1CC(=O)Nc2cc([N+](=O)[O-])ccc21	473136903	UYHXGUOPYIPGOZ-UHFFFAOYSA-N	264.285	0.915	5	1	CCBF	
O=c1nc2[nH][nH]cc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12	1772654117	WNWIJUYZANVVGZ-UHFFFAOYSA-N	297.234	0.869	5	1	CCBF	
O=[N+]([O-])c1nccn1C[C@H](O)CN1[C@H]2[C@H]3CC[C@H](C3)[C@H]21	13885736	RJNNQBPRUXIJEV-ISNRWSRVSA-N	278.312	0.635	5	1	CCBF	
O=C(O)C1=C[C@H](O)[C@H](O)[C@H](Oc2ccc([N+](=O)[O-])cc2)O1	253673339	QOFLFSIACWCTBJ-PTOFAABTSA-N	297.219	0.020	5	1	CCBF	
O=C(O)c1nc(-c2sccc2[N+](=O)[O-])[nH]c(=O)c1O	13683470	CTBVBLUYSQJGIV-UHFFFAOYSA-N	283.221	0.810	5	1	CCBF	
O=[P@@]1(N2CC[N+]3(CCOCC3)CC2)NCCCO1	40810739	YGZFCELPXHVSMM-SFHVURJKSA-N	276.297	0.267	5	1	CCBF	
O=[N+]([O-])c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@@H]1F	6585421	NQDOAFJZPCKIGD-JFWOZONXSA-N	283.219	0.352	5	1	CCBF	
CCCn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21	169485245	PHYAHGOFTLKBQO-UHFFFAOYSA-N	256.265	0.995	5	1	CCBF	
N=c1[nH]cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc-2[nH]1	587270554	NFRZGZITROBYDE-VIFPVBQESA-N	299.294	0.868	5	1	CCBF	
Nc1nc(N)c([N+](=O)[O-])c(OCc2ccncc2)n1	13778033	QAGNRTDLDQDYSX-UHFFFAOYSA-N	262.229	0.523	5	1	CCBF	
Cn1c([N+](=O)[O-])cnc1[S@](=O)CCCCC(=O)O	169347013	LHAKGKYKEGFOLV-GOSISDBHSA-N	275.286	0.691	5	1	CCBF	
Cc1cc2[nH]c([C@H](O)[C@@H](O)CO)nc2cc1[N+](=O)[O-]	586886253	ADBHSBATIHYSRB-VHSXEESVSA-N	267.241	0.166	5	1	CCBF	
N[C@H](C(=O)O)[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O	40979460	QLEGIDOWJTWAHL-IUCAKERBSA-N	268.225	0.250	5	1	CCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2c(N)ncnc2[nH]1	587274343	JJZNOGYMXHYHDH-UHFFFAOYSA-N	260.217	0.244	5	1	CCBF	
COc1c(F)cc2[nH]c(=O)c(O)nc2c1[N+](=O)[O-]	13761206	RYDYATPRWQTACP-UHFFFAOYSA-N	255.161	0.685	5	1	CCBF	
CC(C)=CC(=O)OCC1=CC[N@+]2([O-])CC[C@H](O)[C@@H]12	2356315946	ZARRVDIUCQDFCK-YUTCNCBUSA-N	253.298	0.884	5	1	CCBF	
N[C@@H](Cc1cc(O)c([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O	26948680	KGKBQMJHHHNUIW-YFKPBYRVSA-N	271.185	0.163	5	1	CCBF	
O=c1c2cc([N+](=O)[O-])c(Cl)cc2nc(O)n1O	26397124	IMEHGFVLYXZUAZ-UHFFFAOYSA-N	257.589	0.901	5	1	CCBF	
O=C1Nc2cc(-n3ccnc3)c([N+](=O)[O-])cc2C1=O	26177567	KNYXLQRCVJMHJR-UHFFFAOYSA-N	258.193	0.915	5	1	CCBF	
CC(C)[C@@H]1C[N@]1C[C@@H](O)Cn1ccnc1[N+](=O)[O-]	1857623515	IOLDQEUSULQVRY-BHDSKKPTSA-N	254.290	0.492	5	1	CCBF	
O=c1[nH]c2cc(CN3CC=CC3)c([N+](=O)[O-])cc2[nH]c1=O	27752852	BQPONRVZKVJARL-UHFFFAOYSA-N	288.263	0.496	5	1	CCBF	
CCOC(=O)c1[nH]c2c(OC)[nH][n+](=O)cc2c1[N+](=O)[O-]	138010017	FRTLPFJSQJGPHF-UHFFFAOYSA-N	283.220	0.504	5	1	CCBF	
CN(CCO)c1nc2n(C)c3ccccc3cc-2c(=O)n1	28651816	MPDWGVHRUHCLPS-UHFFFAOYSA-N	284.319	0.862	5	1	CCBF	
CCn1sc(=O)n(-c2ccc([N+](=O)[O-])cc2)c1=O	13675217	NDJXFBOMEIBNON-UHFFFAOYSA-N	267.266	0.989	5	1	CCBF	
Nc1nc(N)c([N+](=O)[O-])c(OCc2cccnc2)n1	13778030	RKEKPSQLKNKPKS-UHFFFAOYSA-N	262.229	0.523	5	1	CCBF	
C[C@H](O)CNc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-]	4661084	DVPPYKOVOKUAFQ-YFKPBYRVSA-N	256.218	0.878	5	3	CCBF	
O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCOC1=O	40861670	BMGCHGSJQNDROH-JTQLQIEISA-N	280.236	0.405	5	1	CCBF	
O=[N+]([O-])c1cncc2nc(C3(O)CCOCC3)[nH]c12	586913607	NWJYCRWPBBJBQJ-UHFFFAOYSA-N	264.241	0.864	5	1	CCBF	
CSc1nc2nc3ccccc3[n+]([O-])c2c(=O)[nH]1	101450595	OKRUALKTAOXZKU-UHFFFAOYSA-N	260.278	0.827	5	1	CCBF	
CNC(=O)[C@H]1C[C@@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1	587234985	KINICIYZEFAADZ-WDSKDSINSA-N	261.241	0.716	5	1	CCBF	
O=[N+]([O-])c1cncc2nc(C[C@H]3COCCO3)[nH]c12	586909939	KJMUBFSGDXIHFE-ZETCQYMHSA-N	264.241	0.824	5	1	CCBF	
CCC(=O)N[C@H](C(=O)O)[C@@H](O)c1ccc([N+](=O)[O-])cc1	2356862644	IHPKJPKRXPGBSW-QWRGUYRKSA-N	282.252	0.608	5	1	CCBF	
Nc1ncc(-c2nc3cnncc3[nH]2)cc1[N+](=O)[O-]	587268332	RQTOKOBRPHKBSG-UHFFFAOYSA-N	257.213	0.905	5	1	CCBF	
COC(=O)[C@@H](NC(C)=O)[C@H](O)c1cccc([N+](=O)[O-])c1	503991816	POUQACFHYAHDFU-WDEREUQCSA-N	282.252	0.306	5	1	CCBF	biogenic
O=C(O)[C@H]1C(c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@H]1C(=O)O	587971145	USGYIYDHJWHZCC-BQBZGAKWSA-N	292.207	0.365	5	1	CCBF	
CNC1=C([N+](=O)[O-])[C@H](c2cccc(F)c2)N=C2N=CNN21	1911581138	HPBOZDZGFGMHAF-VIFPVBQESA-N	290.258	0.750	5	1	CCBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cnc([N+](=O)[O-])c1	1772649747	WWOCTHJYPUFDKJ-QMMMGPOBSA-N	296.243	0.266	5	1	CCBF	
O=[N+]([O-])c1ccc(-n2nnnc2CN2CCOCC2)cc1	26067730	PZWCRLRSXUOROP-UHFFFAOYSA-N	290.283	0.403	5	3	CCBF	
O=C(O)COCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587564253	PKTFZQFAJZZUFX-UHFFFAOYSA-N	296.195	0.981	5	1	CCBF	
O=c1[nH]nc(Cc2ccc([N+](=O)[O-])cc2)n1CCO	1650273	GDFFTURJILHSKS-UHFFFAOYSA-N	264.241	0.063	5	1	CCBF