smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN1CCN(Nc2ncnc(N)c2[N+](=O)[O-])CC1	3912541	KWZJPVMZFZQYPY-UHFFFAOYSA-N	253.266	-0.459	5	50	CBBA	
O=[N+]([O-])c1ccc(N[C@@H]2O[C@H](CO)C[C@@H](O)[C@H]2O)cc1	239297252	DURMOUDVBDXBKP-IRCOFANPSA-N	284.268	-0.164	5	50	CBBA	
O=S1(=O)CC[N+]2(CC1)C[C@H](O)CC1(CCOCC1)C2	1615057931	WBLDIHHWIYEQRG-GFCCVEGCSA-N	290.405	-0.207	5	50	CBBA	
Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)N1CCOCC1	8444995	FBECGLOQAVXFRZ-UHFFFAOYSA-N	299.243	-0.133	5	50	CBBA	
O=C(Cn1nnc([N+](=O)[O-])n1)NCc1ccccc1	438788	LQULNVQEUFDAKX-UHFFFAOYSA-N	262.229	-0.102	5	50	CBBA	
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O	239331367	KNHGFOSGFLWCOZ-FIQHERPVSA-N	284.268	-0.246	5	50	CBBA	biogenic
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	43769275	FFXFFAHBRXFFAV-NNYUYHANSA-N	284.268	-0.246	5	50	CBBA	biogenic
O=[N+]([O-])c1cccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c1	247905054	LZYBXOWFOCKWJE-UKKRHICBSA-N	270.241	-0.554	5	50	CBBA	biogenic
O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1(O)CNC1	311407623	XNUNEBWIOCHIPF-UHFFFAOYSA-N	287.297	-0.793	5	50	CBBA	
Cc1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc1[N+](=O)[O-]	101074915	ILLLCBDIMXOWNN-IRCOFANPSA-N	284.268	-0.246	5	50	CBBA	biogenic
C[C@@H](O)C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	1471740333	QTXJRLLNOUBZIZ-AVPPRXQKSA-N	284.268	-0.514	5	50	CBBA	
O=[N+]([O-])c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	13425153	QJZGERHAPGWLSY-CHWFTXMASA-N	270.241	-0.554	5	50	CBBA	biogenic
C[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@H]1O	2597046	YILIDCGSXCGACV-BVWHHUJWSA-N	285.252	-0.199	5	50	CBBA	in-vitro
O=[N+]([O-])c1cccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1	5394810	PJTVTWRIKMCPKR-LMLFDSFASA-N	270.241	-0.554	5	50	CBBA	
CN1C(=O)c2c(NN)cc([N+](=O)[O-])cc2[S@]1=O	245236732	VOAUQLSJSUDBBA-QGZVFWFLSA-N	256.243	-0.011	5	50	CBBA	
CNC(=O)[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1	225384909	VHDCZOGMSJBSNY-LURJTMIESA-N	266.261	-0.318	5	50	CBBA	
N[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	323568053	JUPMOHSFFAQJBJ-QMMMGPOBSA-N	289.269	-0.715	5	50	CBBA	
O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(O)CNC1	595952365	PDPALDARWBUPIK-UHFFFAOYSA-N	253.214	-0.427	5	50	CBBA	
CC1(O)CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1	170088068	YWTRWWGFILWVDJ-UHFFFAOYSA-N	287.297	-0.187	5	50	CBBA	
O=[N+]([O-])c1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	101146858	QJZGERHAPGWLSY-GWOFURMSSA-N	270.241	-0.554	5	50	CBBA	biogenic
O=[N+]([O-])[C@@H]([C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1	239347360	MTYKSDFJLYJRDR-BRPSZJMVSA-N	297.354	-0.499	5	50	CBBA	
C[C@@H]1O[C@H](Nc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O	245380180	SNDWCHJOMVSETA-GHIOYOQGSA-N	284.268	-0.166	5	50	CBBA	
COC(=O)[C@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1	412755233	GWZLUKHWNGPYEK-OCAPTIKFSA-N	282.256	-0.141	5	50	CBBA	
N[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	323568051	JUPMOHSFFAQJBJ-MRVPVSSYSA-N	289.269	-0.715	5	50	CBBA	
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCCO1	4744682	LDTGMVGOKBJMIK-ZETCQYMHSA-N	255.234	-0.519	5	50	CBBA	
CCC[C@H](O)[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])cn1	424055465	FBJWUWKMSQNQKY-ZJUUUORDSA-N	286.288	-0.571	5	50	CBBA	
Cc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	16029962	OKHAGBCTHFBJQD-WISYIIOYSA-N	284.268	-0.246	5	50	CBBA	
C[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@H]1O	143048863	YILIDCGSXCGACV-CZDOKNLBSA-N	285.252	-0.199	5	50	CBBA	
CNC[C@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1	420215970	SSHQESUJMWTJKE-SSDOTTSWSA-N	252.278	0.155	5	50	CBBA	
O=[N+]([O-])c1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1	245380074	QJZGERHAPGWLSY-LMLFDSFASA-N	270.241	-0.554	5	50	CBBA	biogenic
O=[N+]([O-])c1ccc(N[C@@H]2O[C@H](CO)C[C@H](O)[C@@H]2O)cc1	101816614	DURMOUDVBDXBKP-FIQHERPVSA-N	284.268	-0.164	5	50	CBBA	
CCCN(CC(N)=O)C(=O)c1n[nH]c(C)c1[N+](=O)[O-]	346942639	MRRJEUWTMFEQMS-UHFFFAOYSA-N	269.261	-0.036	5	50	CBBA	
O=[N+]([O-])c1ccc(N(CCO)CCO)c2nonc12	4894757	UBKDUUMSZMURTP-UHFFFAOYSA-N	268.229	-0.078	5	50	CBBA	
O=C(CCN1C[C@H](O)[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-]	278859152	RXHMSUIAWSLIFG-RYUDHWBXSA-N	295.295	-0.039	5	50	CBBA	
C[C@@H]1O[C@H](Nc2cccc([N+](=O)[O-])c2)[C@H](O)[C@H](O)[C@H]1O	239275067	BDCSZHDDKFSAHA-UOAXWKJLSA-N	284.268	-0.166	5	50	CBBA	
O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)cc1	100685617	MLJYKRYCCUGBBV-NAKRPEOUSA-N	271.225	-0.587	5	50	CBBA	
C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)CCC(=O)O	96094857	HAEVNYBCYZZDFL-MRVPVSSYSA-O	262.282	-0.056	5	50	CBBA	in-vitro
NC(=O)Cn1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1	342210987	VXTQZQCOUZQNLC-UHFFFAOYSA-N	289.251	0.529	5	50	CBBA	
Cc1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc1[N+](=O)[O-]	12656250	ILLLCBDIMXOWNN-WHOHXGKFSA-N	284.268	-0.246	5	50	CBBA	biogenic
CNC[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(N)n1	420215973	SSHQESUJMWTJKE-ZETCQYMHSA-N	252.278	0.155	5	50	CBBA	
CNC(=O)N[N+](=O)C1([N+](=O)[O-])COC(C)(C)OC1	198207007	BIYKDXRMKAFEDW-UHFFFAOYSA-O	263.230	-0.635	5	50	CBBA	
O=S1(=O)CC[N+]2(CCC3(CC2)C[C@@H](O)CCO3)CC1	1775988952	UJCUMJALQOZXON-LBPRGKRZSA-N	290.405	-0.065	5	50	CBBA	
Nc1nonc1C(=O)NCCNc1ccc([N+](=O)[O-])cn1	19874720	QEFAXSKLDOMMGY-UHFFFAOYSA-N	293.243	-0.203	5	50	CBBA	
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	13425157	NOKJZZUEVOXWAS-WISYIIOYSA-N	284.268	-0.246	5	50	CBBA	
O=C1CC[C@@H]2C[N+]3(CC[C@H]2N1)CCS(=O)(=O)CC3	1776005404	INPZGWOYSNNKPU-GHMZBOCLSA-O	273.378	-0.470	5	50	CBBA	
CC(=O)OCCNC(=O)c1c([N+](=O)[O-])ncn1C	2473133	ATDZYVUQYRRECW-UHFFFAOYSA-N	256.218	-0.379	5	50	CBBA	
C[C@@H]1O[C@H](Nc2cccc([N+](=O)[O-])c2)[C@H](O)[C@H](O)[C@@H]1O	239275068	BDCSZHDDKFSAHA-XQFKGYICSA-N	284.268	-0.166	5	50	CBBA	
Cc1ccc([N+](=O)[O-])c(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c1	245238318	JXVQQJXIAAZNPX-NOOOWODRSA-N	284.268	-0.246	5	50	CBBA	
Nc1ccc(S(=O)(=O)NCCO)cc1[N+](=O)[O-]	5105640	UGJUJNFFXYGSNO-UHFFFAOYSA-N	261.259	-0.552	5	50	CBBA	
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	13550855	DUYYBTBDYZXISX-GWOFURMSSA-N	271.225	-0.587	5	50	CBBA	
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	247992897	NOKJZZUEVOXWAS-WRWGMCAJSA-N	284.268	-0.246	5	50	CBBA	
Cn1nnc(NS(=O)(=O)c2ccc(N)c([N+](=O)[O-])c2)n1	127404144	PAVALRPKYVHKHF-UHFFFAOYSA-N	299.272	-0.499	5	50	CBBA	
Cc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1[N+](=O)[O-]	245294899	BVNURZFNVCUFJC-WRWGMCAJSA-N	284.268	-0.246	5	50	CBBA	
O=C1N=c2cc(-n3ccnc3)c([N+](=O)[O-])cc2=NC1=O	100306702	AMYRQZGTYKEDNI-UHFFFAOYSA-N	271.192	-0.914	5	50	CBBA	in-vitro
O=C(O)CCC(CCC(=O)O)([N+](=O)[O-])[N+](=O)[O-]	19227710	WVXNFQGAMQFCSX-UHFFFAOYSA-N	250.163	-0.034	5	50	CBBA	
O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1	6093331	MLJYKRYCCUGBBV-YTWAJWBKSA-N	271.225	-0.587	5	50	CBBA	in-vitro
Cc1ccnc(N2CC(S(N)(=O)=O)C2)c1[N+](=O)[O-]	904217884	UAOGIXNCXRTDQP-UHFFFAOYSA-N	272.286	-0.225	5	50	CBBA	
Cc1ncc([N+](=O)[O-])n1Cc1nc(N)nc(N(C)C)n1	110570	OEOXBORUYNCHBH-UHFFFAOYSA-N	278.276	-0.019	5	50	CBBA	
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O	101103385	FFXFFAHBRXFFAV-FIQHERPVSA-N	284.268	-0.246	5	50	CBBA	biogenic
C[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@@H]1O	110339714	YILIDCGSXCGACV-MWAPLWLCSA-N	285.252	-0.199	5	50	CBBA	
Cc1ccc([N+](=O)[O-])c(N[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1	245238319	JXVQQJXIAAZNPX-WRWGMCAJSA-N	284.268	-0.246	5	50	CBBA	
C[C@@H](O)CNc1ncnc(NC[C@@H](C)O)c1[N+](=O)[O-]	585092815	OZYDSZDBSXDFBQ-RNFRBKRXSA-N	271.277	-0.030	5	50	CBBA	
C[C@@H]1O[C@H](Oc2ccccc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@H]1O	252012389	SWRPIVXPHLYETN-CZDOKNLBSA-N	285.252	-0.199	5	50	CBBA	
O=[N+]([O-])c1ccccc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	5740965	AVYBYOVKUDKGEY-CHWFTXMASA-N	270.241	-0.554	5	50	CBBA	
O=[N+]([O-])c1ccccc1N[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	105297812	AVYBYOVKUDKGEY-VPOLOUISSA-N	270.241	-0.554	5	50	CBBA	
O=C1C[C@@H](n2cc([N+](=O)[O-])c([N+](=O)[O-])n2)[C@H]2CO[C@H]1O2	224856097	AANJJXCZZXZXOS-MSVFPHSYSA-N	284.184	-0.045	5	50	CBBA	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)CN1CCOCC1	35994580	GAZGHCHCYRSPIV-SNVBAGLBSA-N	270.289	-0.207	5	50	CBBA	
O=[N+]([O-])c1ccc(N[C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)cc1	239297253	DURMOUDVBDXBKP-NNYUYHANSA-N	284.268	-0.164	5	50	CBBA	
O=C1CC[C@H]2C[N+]3(CC[C@H]2N1)CCS(=O)(=O)CC3	1776005412	INPZGWOYSNNKPU-WDEREUQCSA-O	273.378	-0.470	5	50	CBBA	
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	227163806	YPSRIGRTTBFRQB-NOOOWODRSA-N	284.268	-0.246	5	50	CBBA	
C[C@@H]1O[C@H](Oc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O	252012392	SWRPIVXPHLYETN-ZXEZZVQBSA-N	285.252	-0.199	5	50	CBBA	
CC1(C)C2([N+](=O)[O-])CN3CN(C2)CC1([N+](=O)[O-])C3	19300017	MBUKUTJDOSKTEX-UHFFFAOYSA-N	256.262	-0.354	5	50	CBBA	
Cc1cc(N2CC(O)(C(N)=O)C2)ccc1[N+](=O)[O-]	585132684	LKPDNHDBDUQWIG-UHFFFAOYSA-N	251.242	-0.060	5	50	CBBA	
O=C1NCCC12CC[N+]1(CC2)CCS(=O)(=O)CC1	1615611233	YDSPGSHDRCPVMH-UHFFFAOYSA-O	273.378	-0.468	5	50	CBBA	
NC(=O)C1CCN(c2ncnc(N)c2[N+](=O)[O-])CC1	3912657	DRMLOTOEYONGGM-UHFFFAOYSA-N	266.261	-0.331	5	50	CBBA	
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCF)n1	599295883	FHZYMYMQQBBRPY-UHFFFAOYSA-N	252.227	-0.424	5	50	CBBA	
O=C(O)[C@H](O)[C@@H](O)C(=O)Nc1ccc([N+](=O)[O-])cc1	4269488	UEJFXRDWAWAUFQ-HTQZYQBOSA-N	270.197	-0.660	5	50	CBBA	
O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1	6093332	DUYYBTBDYZXISX-UKKRHICBSA-N	271.225	-0.587	5	50	CBBA	in-vivo
C[C@@H]1O[C@H](Nc2cccc([N+](=O)[O-])c2)[C@H](O)[C@@H](O)[C@H]1O	239275066	BDCSZHDDKFSAHA-GHIOYOQGSA-N	284.268	-0.166	5	50	CBBA	
C[C@@H]1CN(CCO)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1	424057825	KCYHNEBQGDJSCZ-SNVBAGLBSA-N	297.315	-0.684	5	50	CBBA	
O=[N+]([O-])c1ccccc1N[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O	101833378	KGPWBFBBGLVSFD-LNFKQOIKSA-N	270.241	-0.554	5	50	CBBA	biogenic
Cc1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]	169682658	ILLLCBDIMXOWNN-FIQHERPVSA-N	284.268	-0.246	5	50	CBBA	biogenic
Cn1c(=O)n(-c2ccc([N+](=O)[O-])cc2)c(=O)n1C	111876	UZSFDHCVDQTTID-UHFFFAOYSA-N	250.214	-0.217	5	50	CBBA	
C[C@@H]1O[C@H](Nc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	245380179	SNDWCHJOMVSETA-CAXGQTPXSA-N	284.268	-0.166	5	50	CBBA	
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])nc2nc1O	13755436	GDBMNBXUUXVCIS-UHFFFAOYSA-N	253.130	-0.160	5	50	CBBA	
O=[N+]([O-])c1ccccc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	101146849	AVYBYOVKUDKGEY-GWOFURMSSA-N	270.241	-0.554	5	50	CBBA	
O=S1(=O)CC[N+]2(CCC3(CC2)C[C@H](O)CCO3)CC1	1775988951	UJCUMJALQOZXON-GFCCVEGCSA-N	290.405	-0.065	5	50	CBBA	
NC(=O)c1cc(C(N)=O)c([N+](=O)[O-])cc1[N+](=O)[O-]	3129777	CAXHNWGTTLHJQF-UHFFFAOYSA-N	254.158	-0.299	5	50	CBBA	
N[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O	222407323	LBGHYHDICSDCAH-ZCFIWIBFSA-N	289.269	-0.715	5	50	CBBA	
O=C1C[C@H](n2cc([N+](=O)[O-])c([N+](=O)[O-])n2)[C@H]2CO[C@H]1O2	224856058	AANJJXCZZXZXOS-QTLDAMRXSA-N	284.184	-0.045	5	50	CBBA	
Cc1nc([C@@H]2C[N+]3(CCO2)CCS(=O)(=O)CC3)no1	1775988901	PBMLJKSRZYERHE-JTQLQIEISA-N	288.349	-0.305	5	50	CBBA	
C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@H]1O	15206213	YILIDCGSXCGACV-UOAXWKJLSA-N	285.252	-0.199	5	50	CBBA	
O=[N+]([O-])c1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)cc1	101098283	VNKDLWYBNIBMEY-XWLWVQCSSA-N	270.241	-0.554	5	50	CBBA	
Cc1cc(N2CC(NS(N)(=O)=O)C2)ccc1[N+](=O)[O-]	585132613	FXGGCSKZHDYARW-UHFFFAOYSA-N	286.313	-0.115	5	50	CBBA	
CS(=O)(=O)N(CC(N)=O)c1cccc([N+](=O)[O-])c1	468955	YAAGEEDXFUZLBD-UHFFFAOYSA-N	273.270	-0.154	5	50	CBBA	
Cc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	105360217	OKHAGBCTHFBJQD-NOOOWODRSA-N	284.268	-0.246	5	50	CBBA	
Cc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	247994074	OKHAGBCTHFBJQD-WRWGMCAJSA-N	284.268	-0.246	5	50	CBBA	
O=[N+]([O-])c1ccccc1N[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	240228138	KGPWBFBBGLVSFD-UKKRHICBSA-N	270.241	-0.554	5	50	CBBA	biogenic
C[C@H](O)C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	271683717	QTXJRLLNOUBZIZ-WHGOUJPWSA-N	284.268	-0.514	5	50	CBBA	
O=S1(=O)CC[N+]2(CC1)C[C@@H](O)CC1(CCOCC1)C2	1615057932	WBLDIHHWIYEQRG-LBPRGKRZSA-N	290.405	-0.207	5	50	CBBA	
O=C1CC[C@@H]2C[N+]3(CC[C@@H]2N1)CCS(=O)(=O)CC3	1776005407	INPZGWOYSNNKPU-MNOVXSKESA-O	273.378	-0.470	5	50	CBBA	
CCOC[C@H](O)Cn1nc([N+](=O)[O-])nc1[N+](=O)[O-]	16513516	DAXQCMQJGDZIMZ-RXMQYKEDSA-N	261.194	-0.508	5	50	CBBA	
Cn1c(=O)c2nc3ccc(N)cc3nc2n(C)c1=O	517660	QBLHBGSNDGMZKF-UHFFFAOYSA-N	257.253	-0.237	5	50	CBBA	biogenic
CCOC(=O)C(C[N+](C)(C)C)(NC(C)=O)C(=O)OCC	2385073	KHGFTLOZJDZMMY-UHFFFAOYSA-O	289.352	-0.306	5	50	CBBA	in-vitro
CCN1C[C@@]2([N+](=O)[O-])C=C(C(N)=O)C[C@@]([N+](=O)[O-])(C1)C2	33390962	SGAMACJREFTAQK-MNOVXSKESA-N	284.272	-0.442	5	50	CBBA	
C[C@@H]1O[C@H](Nc2cccc([N+](=O)[O-])c2)[C@H](O)[C@@H](O)[C@@H]1O	239275065	BDCSZHDDKFSAHA-CAXGQTPXSA-N	284.268	-0.166	5	50	CBBA	
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	247992891	NOKJZZUEVOXWAS-NOOOWODRSA-N	284.268	-0.246	5	50	CBBA	
C[C@@H]1O[C@@H](OCc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O	25726859	DCCILTHSDFBSCK-RCGNDRPLSA-N	299.279	-0.061	5	50	CBBA	
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	239331368	KNHGFOSGFLWCOZ-NNYUYHANSA-N	284.268	-0.246	5	50	CBBA	biogenic
CCC[C@H](O)[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])cn1	424055460	FBJWUWKMSQNQKY-UWVGGRQHSA-N	286.288	-0.571	5	50	CBBA	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CN1CCOCC1	35994581	GAZGHCHCYRSPIV-JTQLQIEISA-N	270.289	-0.207	5	50	CBBA	
CN(CCO)C1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21	5074190	XRWFRKKQDYUGIY-UHFFFAOYSA-N	285.281	-0.032	5	50	CBBA	
O=[N+]([O-])c1c(N(CCO)CCO)ccc2nonc12	5008154	RMCXSSFSDYZJMZ-UHFFFAOYSA-N	268.229	-0.078	5	50	CBBA	
C[C@@H]1O[C@H](Nc2ccccc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@H]1O	245380181	SNDWCHJOMVSETA-UOAXWKJLSA-N	284.268	-0.166	5	50	CBBA	
Cc1nc(NCCO)nc(NCCO)c1[N+](=O)[O-]	3995747	RKLNDXHIGBINOG-UHFFFAOYSA-N	257.250	-0.498	5	50	CBBA	
C[C@H]1CN(CCO)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1	424057818	KCYHNEBQGDJSCZ-JTQLQIEISA-N	297.315	-0.684	5	50	CBBA	
C[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@@H]1O	242723244	YILIDCGSXCGACV-FBRIDRNKSA-N	285.252	-0.199	5	50	CBBA	
CN(C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])cc1C(N)=O	589102100	ZQNSGMPITWOSGQ-ZETCQYMHSA-N	283.288	-0.577	5	50	CBBA	
CN1C(=O)C2(OCC(CO)([N+](=O)[O-])CO2)c2ccccc21	88182	FTDHIAMPZIODPX-UHFFFAOYSA-N	294.263	-0.130	5	50	CBBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N(CCO)CCO)cc1	283386	QLZDDZOWDLQNJY-UHFFFAOYSA-N	290.297	-0.430	5	50	CBBA	
O=[N+]([O-])c1ccccc1N[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	239274900	AVYBYOVKUDKGEY-LMLFDSFASA-N	270.241	-0.554	5	50	CBBA	
C[C@@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O	95495911	SWRPIVXPHLYETN-SQKFTNEHSA-N	285.252	-0.199	5	50	CBBA	
CC(C)[C@@H](CO)ONC(=O)Cn1cc([N+](=O)[O-])cn1	585087819	URNFELVRSCXDBK-SECBINFHSA-N	272.261	-0.144	5	50	CBBA	
Cc1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	16667151	ZEZYHXJBMLCEDJ-WHOHXGKFSA-N	284.268	-0.246	5	50	CBBA	
CN(C)C(=O)N1CC[N+]2(CC1)CCS(=O)(=O)CC2	1775989014	ZGHUGLBFLFHSDJ-UHFFFAOYSA-N	276.382	-0.771	5	50	CBBA	
Cc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	3999188	OKHAGBCTHFBJQD-DDHJBXDOSA-N	284.268	-0.246	5	50	CBBA	biogenic
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O	101146888	KNHGFOSGFLWCOZ-IRCOFANPSA-N	284.268	-0.246	5	50	CBBA	biogenic
O=C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(=O)N1	4785460	ONUSBDCRYMAVQD-UHFFFAOYSA-N	299.264	-0.758	5	50	CBBA	
O=[N+]([O-])c1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc1	13302207	VNKDLWYBNIBMEY-ZRUFSTJUSA-N	270.241	-0.554	5	50	CBBA	
O=[N+]([O-])c1cccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c1	239174154	PJTVTWRIKMCPKR-VPOLOUISSA-N	270.241	-0.554	5	50	CBBA	
CCOC[C@@H](O)Cn1nc([N+](=O)[O-])nc1[N+](=O)[O-]	16513511	DAXQCMQJGDZIMZ-YFKPBYRVSA-N	261.194	-0.508	5	50	CBBA	
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	13482885	YPSRIGRTTBFRQB-WISYIIOYSA-N	284.268	-0.246	5	50	CBBA	
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O	13603351	KNHGFOSGFLWCOZ-WHOHXGKFSA-N	284.268	-0.246	5	50	CBBA	biogenic
O=[N+]([O-])c1cc(S(=O)(=O)CCO)cc([N+](=O)[O-])c1O	2272395	MSTQJQSETMSDEU-UHFFFAOYSA-N	292.225	-0.025	5	50	CBBA	
O=C(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	2944731	UKNQJRNNXSNVTM-UHFFFAOYSA-N	260.227	-0.042	5	50	CBBA	
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	101632600	YPSRIGRTTBFRQB-DDHJBXDOSA-N	284.268	-0.246	5	50	CBBA	
O=[N+]([O-])c1nonc1COc1nonc1[N+](=O)[O-]	9969697	WOXCRMFIBXEIBS-UHFFFAOYSA-N	258.106	-0.152	5	50	CBBA	
Nc1nnnn1CC(=O)Nc1ccc([N+](=O)[O-])cc1	4491441	PJKRSFZZRFVRFO-UHFFFAOYSA-N	263.217	-0.198	5	50	CBBA	
O=[N+]([O-])c1ccc(N[C@@H]2O[C@H](CO)C[C@@H](O)[C@@H]2O)cc1	101816608	DURMOUDVBDXBKP-WHOHXGKFSA-N	284.268	-0.164	5	50	CBBA	
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	3999215	NOKJZZUEVOXWAS-DDHJBXDOSA-N	284.268	-0.246	5	50	CBBA	biogenic
O=[N+]([O-])c1cc(S(=O)(=O)O)cc(S(=O)(=O)O)c1O	1655641	XDBZXAFUWZROOS-UHFFFAOYSA-N	299.238	-0.206	5	50	CBBA	
O=C(O)[C@@H](O)[C@H](O)C(=O)Nc1ccc([N+](=O)[O-])cc1	4269490	UEJFXRDWAWAUFQ-YUMQZZPRSA-N	270.197	-0.660	5	50	CBBA	in-vitro
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CNC[C@H]1O	699895031	PIFJTNHLPOOULD-VXNVDRBHSA-N	287.297	-0.794	5	50	CBBA	
O=[N+]([O-])c1ccccc1N[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O	16667167	KGPWBFBBGLVSFD-ZRUFSTJUSA-N	270.241	-0.554	5	50	CBBA	biogenic
O=C1CC[C@H]2C[N+]3(CC[C@@H]2N1)CCS(=O)(=O)CC3	1776005409	INPZGWOYSNNKPU-QWRGUYRKSA-O	273.378	-0.470	5	50	CBBA	
Nc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-]	20387245	ZIPRAEGTJNKELY-UHFFFAOYSA-N	268.277	-0.289	5	50	CBBA	
Cc1cc([N+](=O)[O-])nn1CC(=O)N1CCOCC1	37370	CTTLAGYEYKFRPY-UHFFFAOYSA-N	254.246	-0.041	5	50	CBBA	
Cc1cc(N2CC(S(N)(=O)=O)C2)ncc1[N+](=O)[O-]	904217687	KJQACFGAGRXRMN-UHFFFAOYSA-N	272.286	-0.225	5	50	CBBA	
Cc1ncc([N+](=O)[O-])n1CCN1C(=O)CN(C)C1=O	603673955	BRSNEQQSWHFCIT-UHFFFAOYSA-N	267.245	-0.006	5	50	CBBA	
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O	12657755	FFXFFAHBRXFFAV-WHOHXGKFSA-N	284.268	-0.246	5	50	CBBA	biogenic
O=[N+]([O-])c1cccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1	13425125	PJTVTWRIKMCPKR-CHWFTXMASA-N	270.241	-0.554	5	50	CBBA	
C[C@@H]1O[C@H](Oc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	106384575	SWRPIVXPHLYETN-MWAPLWLCSA-N	285.252	-0.199	5	50	CBBA	
O=C(Cn1cc([N+](=O)[O-])cn1)NCCOC(=O)C1CC1	408516115	QKNSXAZRKCXBTE-UHFFFAOYSA-N	282.256	-0.139	5	50	CBBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CNC[C@H]2O)cc1	699896942	XUHWIXIRHQPPGS-NXEZZACHSA-N	287.297	-0.794	5	50	CBBA	
O=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)N1	1311334	LBWNDIPOXJELLY-UHFFFAOYSA-N	299.264	-0.758	5	50	CBBA	
C[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O	5752332	YILIDCGSXCGACV-NFOQIUCISA-N	285.252	-0.199	5	50	CBBA	in-vitro
Cc1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1[N+](=O)[O-]	243920	ILLLCBDIMXOWNN-NNYUYHANSA-N	284.268	-0.246	5	50	CBBA	biogenic
Cc1nc([N+](=O)[O-])c(N2CCN(C(=O)CO)CC2)n1C	1875253698	VOMIDTHCSNUMFG-UHFFFAOYSA-N	283.288	-0.722	5	50	CBBA	
COc1ccc(-n2nc([N+](=O)[O-])c(NCCO)[n+]2[O-])cc1	4824037	ZUPHIEHOQWANHV-UHFFFAOYSA-N	295.255	-0.173	5	50	CBBA	
O=[N+]([O-])c1ccc(O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1	13537385	MLJYKRYCCUGBBV-UKKRHICBSA-N	271.225	-0.587	5	50	CBBA	in-vitro
COCCN1CN(c2c([N+](=O)[O-])c(C)nn2C)CC1=O	240886221	INWBXECIMIMBIW-UHFFFAOYSA-N	283.288	-0.111	5	50	CBBA	
O=[N+]([O-])c1ccccc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O	5847971	YPQCLGUTGDQYNI-DQDDRIPDSA-N	271.225	-0.587	5	50	CBBA	in-vitro
Cc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1[N+](=O)[O-]	5798930	BVNURZFNVCUFJC-WISYIIOYSA-N	284.268	-0.246	5	50	CBBA	
Cc1nc([C@H]2C[N+]3(CCO2)CCS(=O)(=O)CC3)no1	1775988902	PBMLJKSRZYERHE-SNVBAGLBSA-N	288.349	-0.305	5	50	CBBA	
O=[N+]([O-])c1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1	245380075	QJZGERHAPGWLSY-VPOLOUISSA-N	270.241	-0.554	5	50	CBBA	biogenic
O=[N+]([O-])c1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc1	239425953	VNKDLWYBNIBMEY-LNFKQOIKSA-N	270.241	-0.554	5	50	CBBA	
C[C@@H]1O[C@H](Nc2ccccc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@@H]1O	245380182	SNDWCHJOMVSETA-XQFKGYICSA-N	284.268	-0.166	5	50	CBBA	
Cc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1[N+](=O)[O-]	103216623	BVNURZFNVCUFJC-DDHJBXDOSA-N	284.268	-0.246	5	50	CBBA	
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	244887861	YPSRIGRTTBFRQB-WRWGMCAJSA-N	284.268	-0.246	5	50	CBBA	
CNC(=O)[C@@H](O)CNc1ncc([N+](=O)[O-])cc1C	225435416	CZUJTJBKGIRSHF-QMMMGPOBSA-N	254.246	-0.183	5	50	CBBA	
CN(C)[C@H]1[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21	585087606	RXXKSWWCBNBZLG-IAZYJMLFSA-N	279.300	-0.190	5	50	CBBA	
O=C(O)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1	2169568	WQJHGFSTRONKLC-UHFFFAOYSA-N	281.224	-0.475	5	50	CBBA	in-vitro
O=C1CS(=O)(=O)CC(=O)N1c1cccc([N+](=O)[O-])c1	5714378	ODALKXJRORHAPN-UHFFFAOYSA-N	284.249	-0.117	5	50	CBBA	
O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc1	110285963	MLJYKRYCCUGBBV-ZDCRXTMVSA-N	271.225	-0.587	5	50	CBBA	
O=[N+]([O-])c1cccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c1	247905056	LZYBXOWFOCKWJE-XWLWVQCSSA-N	270.241	-0.554	5	50	CBBA	biogenic
CC(C)[C@H](CO)ONC(=O)Cn1cc([N+](=O)[O-])cn1	585087820	URNFELVRSCXDBK-VIFPVBQESA-N	272.261	-0.144	5	50	CBBA	
C[C@@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@H]1O	242723245	YILIDCGSXCGACV-ZXEZZVQBSA-N	285.252	-0.199	5	50	CBBA	
O=[N+]([O-])c1ccccc1N[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O	240228139	KGPWBFBBGLVSFD-XWLWVQCSSA-N	270.241	-0.554	5	50	CBBA	biogenic
O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1	13520513	MLJYKRYCCUGBBV-MMWGEVLESA-N	271.225	-0.587	5	50	CBBA	in-vitro
O=[N+]([O-])c1ccc(O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1	1587984	MLJYKRYCCUGBBV-LMLFDSFASA-N	271.225	-0.587	5	50	CBBA	in-vitro
C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O	5752331	YILIDCGSXCGACV-SQKFTNEHSA-N	285.252	-0.199	5	50	CBBA	in-vitro
O=C1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC(=O)N1	296911	ZSKUOIZHMKRYEG-UHFFFAOYSA-N	263.209	-0.307	5	50	CBBA	
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCCO1	1516061	LDTGMVGOKBJMIK-SSDOTTSWSA-N	255.234	-0.519	5	50	CBBA	
Nc1cc2c(=O)[nH]c(=O)c3ccc4c(=O)[nH]c(=O)c1c4c32	23550053	WLGIEUDOFMFUSC-UHFFFAOYSA-N	281.227	-0.299	5	50	CBBA	
C[N+](C)(C)CCO[P@@](=O)(O)OC[C@H](O)CO	1532714	SUHOQUVVVLNYQR-MRVPVSSYSA-O	258.231	-0.821	5	50	CBBA	investigational,metabolite
O=[N+]([O-])c1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1	3999014	VNKDLWYBNIBMEY-UKKRHICBSA-N	270.241	-0.554	5	50	CBBA	biogenic
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1C[C@H]1[N+](=O)[O-]	248086427	KJNJSRXSYXDJDO-RYPBNFRJSA-N	255.274	-0.236	5	50	CBBA	
CCC[C@@H](O)[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])cn1	424055455	FBJWUWKMSQNQKY-NXEZZACHSA-N	286.288	-0.571	5	50	CBBA	
O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc1	2539730	MLJYKRYCCUGBBV-VLEAKVRGSA-N	271.225	-0.587	5	50	CBBA	
CCC[C@@H](O)[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])cn1	424055463	FBJWUWKMSQNQKY-VHSXEESVSA-N	286.288	-0.571	5	50	CBBA	
O=[N+]([O-])c1cccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1	3999313	PJTVTWRIKMCPKR-GWOFURMSSA-N	270.241	-0.554	5	50	CBBA	biogenic
O=[N+]([O-])c1cc(N(CCO)CCO)ccc1NCCO	4521994	MIWUTEVJIISHCP-UHFFFAOYSA-N	285.300	-0.210	5	50	CBBA	in-vitro
Cc1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	101833338	ZEZYHXJBMLCEDJ-IRCOFANPSA-N	284.268	-0.246	5	50	CBBA	
CN(C)C[C@H](CO)Nc1ncc([N+](=O)[O-])cc1C(N)=O	589102096	ZQNSGMPITWOSGQ-SSDOTTSWSA-N	283.288	-0.577	5	50	CBBA	
O=[N+]([O-])[C@@]12C=CC[C@@]([N+](=O)[O-])(CN(CCO)C1)C2	33391904	TWAADFPRUHACJZ-ZJUUUORDSA-N	257.246	-0.325	5	50	CBBA	
C[C@@H]1O[C@H](Oc2ccccc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@@H]1O	252012391	SWRPIVXPHLYETN-FBRIDRNKSA-N	285.252	-0.199	5	50	CBBA	
NCC1(O)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	725374537	OYDBDFRCJSJMAM-UHFFFAOYSA-N	287.297	-0.711	5	50	CBBA	
O=[N+]([O-])c1cccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c1	1504913	LZYBXOWFOCKWJE-ZRUFSTJUSA-N	270.241	-0.554	5	50	CBBA	biogenic
CN1CCC2(CC[N+]3(CC2)CCS(=O)(=O)CC3)C1=O	1775988981	WXYNQSAOJABIDY-UHFFFAOYSA-N	287.405	-0.126	5	50	CBBA	
CN1C(=O)c2c(NN)cc([N+](=O)[O-])cc2[S@@]1=O	245236733	VOAUQLSJSUDBBA-KRWDZBQOSA-N	256.243	-0.011	5	50	CBBA	
O=[N+]([O-])c1cccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c1	101833617	LZYBXOWFOCKWJE-LNFKQOIKSA-N	270.241	-0.554	5	50	CBBA	biogenic
Nc1nonc1C(=O)NCCNc1ncccc1[N+](=O)[O-]	19874230	WGADKKZHEGLBKM-UHFFFAOYSA-N	293.243	-0.203	5	50	CBBA	
CC(=O)NC1CN(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)C1	170087999	ZSXIMPSMQHVYNU-UHFFFAOYSA-N	295.299	-0.245	5	50	CBBA	
Cc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]	245294898	BVNURZFNVCUFJC-NOOOWODRSA-N	284.268	-0.246	5	50	CBBA	
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O	1514640	FFXFFAHBRXFFAV-IRCOFANPSA-N	284.268	-0.246	5	50	CBBA	biogenic
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	248086430	KJNJSRXSYXDJDO-XGEHTFHBSA-N	255.274	-0.236	5	50	CBBA	
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	248086379	KJNJSRXSYXDJDO-BZNPZCIMSA-N	255.274	-0.236	5	50	CBBA	
COC(=O)CCC(CN1CCOCC1)([N+](=O)[O-])[N+](=O)[O-]	22342459	ILHDLNCQSLRVNA-UHFFFAOYSA-N	291.260	-0.479	5	50	CBBA	
CNC(=O)[C@H](O)CNc1ncc([N+](=O)[O-])cc1C	225435382	CZUJTJBKGIRSHF-MRVPVSSYSA-N	254.246	-0.183	5	50	CBBA