smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN(C)/C=C/c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	245623	YLWAFVBXTFWGLP-ONEGZZNKSA-N	226.192	-0.496	5	40	BBBB	
COC(=O)CCn1cnc([N+](=O)[O-])n1	4152199	FIJGITPHCVSQPP-UHFFFAOYSA-N	200.154	-0.251	5	40	BBBB	
O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCOCC1	31168	QOIQUESODSAKTE-UHFFFAOYSA-N	226.192	-0.210	5	40	BBBB	
Cn1cc([N+](=O)[O-])c(C(=O)NCCN)n1	2565567	VNKPQGKDEYMSTQ-UHFFFAOYSA-N	213.197	-0.983	5	40	BBBB	
Cc1nnnn1-c1nc([N+](=O)[O-])nn1C	39248532	JOROGYDPALBEFQ-UHFFFAOYSA-N	210.157	-0.993	5	40	BBBB	
C[N+]1(C[C@@H](O)CN2CCCC2=O)CCOCC1	509668	SKRJIWKWVKJICJ-NSHDSACASA-N	243.327	-0.554	5	40	BBBB	
O=c1nc(O)c2nc3ccccc3n3c-2[n+]1CC3	38352257	QORCKORTSVZHAK-UHFFFAOYSA-O	241.230	-0.097	5	40	BBBB	
Cc1nc2nc(N)nn2c(O)c1[N+](=O)[O-]	12372229	OBQKQAZKIKCENS-UHFFFAOYSA-N	210.153	-0.371	5	40	BBBB	
CN(CCN)Cc1cc([N+](=O)[O-])n(C)n1	408716322	LMMATSIRZBADML-UHFFFAOYSA-N	213.241	-0.281	5	40	BBBB	
C[C@@H]([C@H](O)[C@@H](O)[C@@H](C)[N+](=O)[O-])[N+](=O)[O-]	142242222	NIONZVYKRZVTQB-FSIIMWSLSA-N	208.170	-0.961	5	40	BBBB	
Cn1c[n+](C)c2c1C[N+](C)(CCO)CC2	8375935	FZWZQIJRODCBKK-UHFFFAOYSA-N	211.309	-0.655	5	40	BBBB	
COC(=O)c1nn2c(c1[N+](=O)[O-])C(=O)NCC2	91696055	PYZMUOLTHHGMAN-UHFFFAOYSA-N	240.175	-0.679	5	40	BBBB	
CNc1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C	4916411	YPENWWBLQQJRDL-UHFFFAOYSA-N	214.181	-0.966	5	40	BBBB	
COC(=O)c1[nH]nc2c([N+](=O)[O-])n[nH]c12	197152998	UCVJGULVAOCFTF-UHFFFAOYSA-N	211.137	-0.019	5	40	BBBB	
NC(=O)c1nn(CCF)cc1[N+](=O)[O-]	253400285	LADSMFNMDPJKGE-UHFFFAOYSA-N	202.145	-0.140	5	40	BBBB	
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCNCC1	8183720	SPWHYEFODYMLLN-UHFFFAOYSA-N	238.247	-0.021	5	40	BBBB	
CN(C)S(=O)(=O)n1ccnc1[N+](=O)[O-]	82046652	IKIRODUWLINOTO-UHFFFAOYSA-N	220.210	-0.554	5	40	BBBB	
COc1nc(N)c([N+](=O)[O-])c(OC)n1	4523182	AEFIKWJHKJRACJ-UHFFFAOYSA-N	200.154	-0.016	5	40	BBBB	
Nc1nc(=O)c2cc([N+](=O)[O-])cnc2[nH]1	18202610	AVWYTIWVBSPYAC-UHFFFAOYSA-N	207.149	-0.192	5	40	BBBB	
O=[N+]([O-])c1nccn1C[C@@H](O)CN1CC1	1580448	OEWYWFJWBZNJJG-ZETCQYMHSA-N	212.209	-0.532	5	40	BBBB	
O=C(O)CCn1nc([N+](=O)[O-])nc1[N+](=O)[O-]	12362066	MXMMSGADSOOUNJ-UHFFFAOYSA-N	231.124	-0.431	5	40	BBBB	
[O-][n+]1onc2c3nc[nH]c3c3c(no[n+]3[O-])c21	15974339	ADGWBHGJJFQEEG-UHFFFAOYSA-N	234.131	-0.888	5	40	BBBB	
NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	21499883	MDHCWYWHOLSFGY-UHFFFAOYSA-N	231.233	-0.112	5	40	BBBB	in-vitro
O=[N+]([O-])c1ccc2n[n+]([O-])nc(O)c2c1	2159000	BKYFXFGONFMJNN-UHFFFAOYSA-N	208.133	-0.123	5	40	BBBB	
CO[C@@H](C)[C@H]1[C@H]([N+](C)(C)C)CS1(=O)=O	1721963	VBKYKUMTHZPFBI-YIZRAAEISA-N	222.330	-0.107	5	40	BBBB	
O=[N+]([O-])c1c(OCCO)ncnc1OCCO	3123952	SUBNDRRKDDTOBI-UHFFFAOYSA-N	245.191	-0.873	5	40	BBBB	
C[C@H](C(=O)O)n1cc(C(N)=O)c([N+](=O)[O-])n1	238856493	WANKVQXZTPRAPS-GSVOUGTGSA-N	228.164	-0.464	5	40	BBBB	
Nc1ncc(S(=O)(=O)O)cc1[N+](=O)[O-]	14982124	QUVFMPNHCPUDJB-UHFFFAOYSA-N	219.178	-0.181	5	40	BBBB	in-vitro
CCO[C@H]1CS(=O)(=O)C[C@@H]1[N+](=O)[O-]	5463115	QAOBFUPTBFUFME-WDSKDSINSA-N	209.223	-0.535	5	40	BBBB	
CN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	34728664	XDMCGIKCFBFDIW-UHFFFAOYSA-N	238.251	-0.281	5	40	BBBB	
NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	36948429	KKRCIZCNUJUBJQ-UHFFFAOYSA-N	246.200	-0.029	5	40	BBBB	
Nc1nc(N)c([N+](=O)[O-])c(N)c1[N+](=O)[O-]	19800992	DBTJVFSKYZRHRQ-UHFFFAOYSA-N	214.141	-0.355	5	40	BBBB	
O=[N+]([O-])c1c[n+]([O-])c([N+](=O)[O-])cc1O	4994248	XFYQBNQOWUGNHD-UHFFFAOYSA-N	201.094	-0.158	5	40	BBBB	
CNC(=O)Cn1cc([N+](=O)[O-])c(C)cc1=O	89568479	ADXRDQWQVJYZLS-UHFFFAOYSA-N	225.204	-0.189	5	40	BBBB	
Cc1nc(=N)c(C[N+]23CCN(CC2)CC3)cn1C	1078366363	GWNTXCXSNRKHPN-UHFFFAOYSA-N	248.354	-0.146	5	40	BBBB	
CN(CCO)c1c([N+](=O)[O-])ncn1C	8308500	AZFYYADLXXCCNA-UHFFFAOYSA-N	200.198	-0.243	5	40	BBBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC1	31672482	VWBNSILWTDAEGO-UHFFFAOYSA-N	237.215	-0.011	5	40	BBBB	
CC(=O)Cn1nc([N+](=O)[O-])nc1[N+](=O)[O-]	4342436	GIXLKJRGNJIETC-UHFFFAOYSA-N	215.125	-0.317	5	40	BBBB	
CSc1nc2[nH]nc([N+](=O)[O-])c(=O)n2n1	100546686	IDVQGNMSSHPZSJ-UHFFFAOYSA-N	228.193	-0.557	5	40	BBBB	
CN(C)[C@H]1CS(=O)(=O)C[C@H]1[N+](C)(C)C	5013212	XIFIVUUXPRZODC-DTWKUNHWSA-N	221.346	-0.580	5	40	BBBB	
Cn1nc([N+](=O)[O-])nc1-n1cnc([N+](=O)[O-])n1	9185391	VYRFXZKUJPULKV-UHFFFAOYSA-N	240.139	-0.788	5	40	BBBB	
COC(=O)[C@](O)(C[N+](=O)[O-])C(F)(F)F	102958533	JZIAKFJIUQQQJG-SCSAIBSYSA-N	217.099	-0.271	5	40	BBBB	
O=[N+]([O-])[C@H](CO)CCC[C@@H](CO)[N+](=O)[O-]	1577856	PNUSDWIBPOUKOB-BQBZGAKWSA-N	222.197	-0.568	5	40	BBBB	
O=[N+]([O-])c1nn(CCO)c2ncnc(O)c12	3852617	GUCIYDZFLNYPJB-UHFFFAOYSA-N	225.164	-0.568	5	40	BBBB	biogenic
N=c1nc2c3ccccc3nnn2c(=N)[nH]1	8637317	SQHXGGDVQLMCIH-UHFFFAOYSA-N	213.204	-0.435	5	40	BBBB	
O=C1CN(c2ccc([N+](=O)[O-])cn2)CCN1	12937982	PCCBBTRAESJVKS-UHFFFAOYSA-N	222.204	-0.074	5	40	BBBB	
O=[N+]([O-])c1nonc1NCn1cnnn1	8854812	XFOCLMXQOYGXFH-UHFFFAOYSA-N	212.129	-0.966	5	40	BBBB	
CCc1nnc(-n2cc([N+](=O)[O-])cn2)n1N	40216550	FAMORYYVZYAWIG-UHFFFAOYSA-N	223.196	-0.352	5	40	BBBB	
Cn1c(=O)c2[nH]cc([N+](=O)[O-])c2n(C)c1=O	5060821	LVENDNGOONFNKR-UHFFFAOYSA-N	224.176	-0.527	5	40	BBBB	
CC1(C)N=c2ccc([N+](=O)[O-])c(N)c2=[N+]1[O-]	100432224	ISOQJYMDROCEPP-UHFFFAOYSA-N	222.204	-0.465	5	40	BBBB	
CCN1CCN(c2nc([N+](=O)[O-])nn2C)CC1	5562660	SMXCHOGUNBKEPO-UHFFFAOYSA-N	240.267	-0.135	5	40	BBBB	
CN(C)[C@H]1CS(=O)(=O)C[C@@H]1[N+](C)(C)C	5983892	XIFIVUUXPRZODC-IUCAKERBSA-N	221.346	-0.580	5	40	BBBB	
O=[N+]([O-])[C@@H](CO)CC[C@H](CO)[N+](=O)[O-]	1564003	DTJWQPZKFAIYFF-PHDIDXHHSA-N	208.170	-0.958	5	40	BBBB	
CN(C)[C@@H]1CS(=O)(=O)C[C@H]1[N+](C)(C)C	5013211	XIFIVUUXPRZODC-RKDXNWHRSA-N	221.346	-0.580	5	40	BBBB	
Nc1nc2c([N+](=O)[O-])cccc2[n+]([O-])n1	18192659	QFXXEIFCCGRICA-UHFFFAOYSA-N	207.149	-0.246	5	40	BBBB	
C[C@@H]([C@@H](O)CC[C@@H](O)[C@@H](C)[N+](=O)[O-])[N+](=O)[O-]	390152095	USKKUOGYTDOYCE-KVFPUHGPSA-N	236.224	-0.181	5	40	BBBB	
NCCn1cc(-n2cc([N+](=O)[O-])cn2)cn1	685936745	VAQUFMKNROFXGR-UHFFFAOYSA-N	222.208	-0.064	5	40	BBBB	
CCOC(=O)CNC(=O)c1nc[nH]c1[N+](=O)[O-]	5615611	FGPGXMNSQXMECL-UHFFFAOYSA-N	242.191	-0.389	5	40	BBBB	
C[C@@H](O)CNc1nc(N)[nH]c(=O)c1[N+](=O)[O-]	17040221	KBJYQEBVHGEJRW-GSVOUGTGSA-N	229.196	-0.947	5	40	BBBB	
Cn1nc([N+](=O)[O-])nc1S(C)(=O)=O	5045638	QHLAYIJLTRDSOE-UHFFFAOYSA-N	206.183	-0.873	5	40	BBBB	
CCn1ncc([N+](=O)[O-])c1C(=O)NCCN	2537869	LZHVWUFPLCNQET-UHFFFAOYSA-N	227.224	-0.500	5	40	BBBB	
O=C(Nc1c[nH]ccc1=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	48597661	WISPNRLIIQTFLO-VDTYLAMSSA-N	223.188	-0.021	5	40	BBBB	
Cn1nc([N+](=O)[O-])c([N+](=O)[O-])c1C(=O)O	4294554	RCTJRSZLWUQNQS-UHFFFAOYSA-N	216.109	-0.065	5	40	BBBB	
O=C(NC[C@H](O)CO)c1cccc([N+](=O)[O-])c1	6505867	QRBPJYIFNMPZJR-VIFPVBQESA-N	240.215	-0.322	5	40	BBBB	
CCN(CCO)c1ncnc(N)c1[N+](=O)[O-]	5499509	VTBVQERNEUDBDM-UHFFFAOYSA-N	227.224	-0.214	5	40	BBBB	
C[C@H](C(=O)O)n1cc([N+](=O)[O-])c(C(N)=O)n1	242390303	AJKUNEXHGQBHHA-GSVOUGTGSA-N	228.164	-0.464	5	40	BBBB	
CN(C)[C@@H]1CS(=O)(=O)C[C@@H]1[N+](C)(C)C	5013209	XIFIVUUXPRZODC-BDAKNGLRSA-N	221.346	-0.580	5	40	BBBB	
CC[C@@H]([C@@H](O)[C@@H](O)[C@@H](CC)[N+](=O)[O-])[N+](=O)[O-]	309234521	AMHWUFKKUISTDM-SOSBWXJGSA-N	236.224	-0.181	5	40	BBBB	
NC(=O)c1cc(C(N)=O)c(N)c([N+](=O)[O-])c1	4014194	ZVVKBBWXPXGRPT-UHFFFAOYSA-N	224.176	-0.625	5	40	BBBB	
Nn1c(Cc2ccc([N+](=O)[O-])cc2)n[nH]c1=O	1645403	FTZJIUOQQYVPPI-UHFFFAOYSA-N	235.203	-0.216	5	40	BBBB	
C[C@H]([C@@H](O)CC[C@@H](O)[C@@H](C)[N+](=O)[O-])[N+](=O)[O-]	223067431	USKKUOGYTDOYCE-XUTVFYLZSA-N	236.224	-0.181	5	40	BBBB	
Cn1nnc(CC[N+]2(C)CCOCC2)n1	1726472	GOCIMVJZOULREY-UHFFFAOYSA-N	212.277	-0.771	5	40	BBBB	
Cc1cc[n+](-c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1	10490838	RAEDGXBJMNROQQ-UHFFFAOYSA-O	249.206	-0.031	5	40	BBBB	
Cn1c[n+](C)c2c1C[N@+](C)(CCO)CC2	247638795	FZWZQIJRODCBKK-AWEZNQCLSA-N	211.309	-0.655	5	40	BBBB	
C[C@H]([C@H](O)[C@@H](O)[C@@H](C)[N+](=O)[O-])[N+](=O)[O-]	142242414	NIONZVYKRZVTQB-ZXXMMSQZSA-N	208.170	-0.961	5	40	BBBB	
O=[N+]([O-])[C@H]1CNC=C(Br)[C@@H]1O	9193743	YZIDYPJLZGGULQ-WHFBIAKZSA-N	223.026	-0.168	5	40	BBBB	
CC(=O)Cn1c([N+](=O)[O-])nn(C)c1=O	5027350	UNYRKYCFIIIKJZ-UHFFFAOYSA-N	200.154	-0.921	5	40	BBBB	
NC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	4721684	AJWRGOPDOFXLNV-UHFFFAOYSA-N	238.163	-0.679	5	40	BBBB	
O=[N+]([O-])c1nonc1N1CCOCC1	5725653	GUWBAOUILLXZIV-UHFFFAOYSA-N	200.154	-0.186	5	40	BBBB	
Nc1nnnn1NCc1ccc([N+](=O)[O-])cc1	7601143	GKJLITKDXJUELW-UHFFFAOYSA-N	235.207	-0.093	5	40	BBBB	
O=[N+]([O-])[C@H](CO)CC[C@@H](CO)[N+](=O)[O-]	1564000	DTJWQPZKFAIYFF-WDSKDSINSA-N	208.170	-0.958	5	40	BBBB	
COc1n[n+]([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	4668633	GCBFEKOPFMITSV-UHFFFAOYSA-N	216.109	-0.460	5	40	BBBB	
Cn1c(Cl)c([N+](=O)[O-])c(=O)n(C)c1=O	1694953	ZOPMTVMJANWXKJ-UHFFFAOYSA-N	219.584	-0.354	5	40	BBBB	in-vitro
Cn1cnc([N+](=O)[O-])c1SC[C@H](N)C(=O)O	5504383	FLBYGWRKPHQGKL-BYPYZUCNSA-N	246.248	-0.168	5	40	BBBB	
O=[N+]([O-])OCCn1nc([N+](=O)[O-])nc1[N+](=O)[O-]	97965969	SDFQMOMKCVFNKW-UHFFFAOYSA-N	248.111	-0.697	5	40	BBBB	
Cn1c(C(F)F)c([N+](=O)[O-])c(=O)n(C)c1=O	217644331	GLEHROYCUVGDPD-UHFFFAOYSA-N	235.146	-0.070	5	40	BBBB	
CN(CC(N)=O)c1ccc([N+](=O)[O-])cn1	43272416	QBGKFURFHPRMIZ-UHFFFAOYSA-N	210.193	-0.089	5	40	BBBB	
COC(=O)Cn1cc(C(N)=O)c([N+](=O)[O-])n1	238853014	HWBNYOZCMPNHMQ-UHFFFAOYSA-N	228.164	-0.937	5	40	BBBB	
NC(=O)c1cccc([N+](=O)[O-])c1C(N)=O	255728	GMOAOEGBMSRFFQ-UHFFFAOYSA-N	209.161	-0.207	5	40	BBBB	
Cn1nc([N+](=O)[O-])cc1C(=O)N1CCOCC1	85432381	OYYOWAFWURILPB-UHFFFAOYSA-N	240.219	-0.199	5	40	BBBB	
O=[N+]([O-])C1([N+](=O)[O-])CCCc2c1no[n+]2[O-]	19288356	HJQFXTCWLYBUIV-UHFFFAOYSA-N	230.136	-0.650	5	40	BBBB	
Cc1[nH]c(=O)c(C(N)=O)c(O)c1[N+](=O)[O-]	95094164	IXCKSXJZKIBMFY-UHFFFAOYSA-N	213.149	-0.604	5	40	BBBB	
O=[N+]([O-])C[C@H]1C([N+](=O)[O-])=CN=C2N=NNN21	8445181	AZIIPJFRHKFTTO-BYPYZUCNSA-N	227.140	-0.693	5	40	BBBB	
COC(=O)Cn1cc([N+](=O)[O-])c(C(N)=O)n1	238856819	XEIVHRYGLCLAKD-UHFFFAOYSA-N	228.164	-0.937	5	40	BBBB	
Nc1nc(NCCCO)ncc1[N+](=O)[O-]	71285892	IDOFQUGATWJZHB-UHFFFAOYSA-N	213.197	-0.239	5	40	BBBB	
CS(=O)(=O)CCn1cccc([N+](=O)[O-])c1=O	58406246	OZAYVWCQCBFXEM-UHFFFAOYSA-N	246.244	-0.199	5	40	BBBB	
N[C@@H](Cc1[nH]cnc1[N+](=O)[O-])C(=O)O	1590559	ACSLYMUBHGQOHG-VKHMYHEASA-N	200.154	-0.728	5	40	BBBB	
NC(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1	34154334	GZVVTACFGLQAFF-QMMMGPOBSA-N	209.205	-0.050	5	40	BBBB	in-vitro
CCc1nn(CCO)c(N)c1[N+](=O)[O-]	96527771	BDRLHDWZMRGGMV-UHFFFAOYSA-N	200.198	-0.072	5	40	BBBB	
O=[N+]([O-])C12CN3CN(C1)CC([N+](=O)[O-])(C3)C2	19320446	PEAVOCFYRIZZJU-UHFFFAOYSA-N	228.208	-0.990	5	40	BBBB	
O=C(O)Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-]	3909527	CPLLKYYCHRCUEM-UHFFFAOYSA-N	216.109	-0.216	5	40	BBBB	
O=[N+]([O-])[C@@H](CO)CCC[C@H](CO)[N+](=O)[O-]	1577859	PNUSDWIBPOUKOB-RNFRBKRXSA-N	222.197	-0.568	5	40	BBBB	
O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOCC1	4715222	KXIXGAZCTMEOTP-UHFFFAOYSA-N	226.192	-0.210	5	40	BBBB	
NNS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	5248849	NFSAIJZRYKAYFN-UHFFFAOYSA-N	232.221	-0.671	5	40	BBBB	
O=c1[nH]c2cc([N+](=O)[O-])cnc2nc1O	13755434	FZAAGBYLDXVMRM-UHFFFAOYSA-N	208.133	-0.068	5	40	BBBB	
O=[N+]([O-])c1n[nH]c(-n2cnc([N+](=O)[O-])n2)n1	39236625	ICIRWEOECPDTAX-UHFFFAOYSA-N	226.112	-0.798	5	40	BBBB	
NC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O	3352020	HMFNWJMNEBCWJR-UHFFFAOYSA-N	248.198	-0.210	5	40	BBBB	
O=C(O)Cn1cnc([N+](=O)[O-])c1[N+](=O)[O-]	3909525	JAFCWYHZBGGMBK-UHFFFAOYSA-N	216.109	-0.216	5	40	BBBB	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)CO	5116487	QQNYOVQUGLPEFB-LURJTMIESA-N	201.182	-0.547	5	40	BBBB	in-vitro
Cn1nnnc1Sc1nc([N+](=O)[O-])nn1C	8892137	SNSYASRHIVKLRT-UHFFFAOYSA-N	242.224	-0.602	5	40	BBBB	
Cn1nc(S(C)(=O)=O)nc1[N+](=O)[O-]	95116159	TZLPNXHRINOXTE-UHFFFAOYSA-N	206.183	-0.873	5	40	BBBB	
CCC(=O)[C@@H](C(=O)O)[C@@H](O)C[N+](C)(C)C	44830376	ZZFGSVPPOQQHEY-DTWKUNHWSA-O	218.273	-0.267	5	40	BBBB	
COCCNC(=O)Cn1nc([N+](=O)[O-])cc1C	4712884	VQRHTDXCSGLHQC-UHFFFAOYSA-N	242.235	-0.138	5	40	BBBB	
O=[N+]([O-])C[C@@H]1C([N+](=O)[O-])=CN=C2N=NNN21	8445182	AZIIPJFRHKFTTO-SCSAIBSYSA-N	227.140	-0.693	5	40	BBBB	
CC(=O)Cn1cnc(-n2ncc([N+](=O)[O-])n2)n1	75280074	OSZDHKVYBIKBJL-UHFFFAOYSA-N	237.179	-0.644	5	40	BBBB	
C[C@@H]([C@H](O)CC[C@@H](O)[C@@H](C)[N+](=O)[O-])[N+](=O)[O-]	390152097	USKKUOGYTDOYCE-ULAWRXDQSA-N	236.224	-0.181	5	40	BBBB	
NC(=O)c1[nH]nc([N+](=O)[O-])c1[N+](=O)[O-]	18210553	ICNGKBNFRODBHR-UHFFFAOYSA-N	201.098	-0.675	5	40	BBBB	
Cn1c(Sc2n[nH]c(N)n2)nnc1[N+](=O)[O-]	8856027	YSGKQPSIJZNVHN-UHFFFAOYSA-N	242.224	-0.425	5	40	BBBB	
CCOC(=O)c1nc(O)nc(N)c1[N+](=O)[O-]	53944063	FNFFUAMWIAUDAZ-UHFFFAOYSA-N	228.164	-0.151	5	40	BBBB	
CN(C)CCNc1ncnc(N)c1[N+](=O)[O-]	3912507	FHWAEXUHNLEMIN-UHFFFAOYSA-N	226.240	-0.060	5	40	BBBB	
O=C(O)Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-]	1548918604	AZSKCTKKFSJBBG-UHFFFAOYSA-N	216.109	-0.216	5	40	BBBB	
NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	4666686	VXLJBBFEKRGFEE-UHFFFAOYSA-N	245.260	-0.168	5	40	BBBB	in-vitro
NC(=O)Cn1cc([N+](=O)[O-])nc1Cl	8306604	GROHHFJRIVWKSI-UHFFFAOYSA-N	204.573	-0.070	5	40	BBBB	
CCOC(=O)Cc1nc([N+](=O)[O-])n[nH]1	1295920	QBNIAZPZUDIHHU-UHFFFAOYSA-N	200.154	-0.182	5	40	BBBB	
C[C@H](O)CNc1nc(N)[nH]c(=O)c1[N+](=O)[O-]	17040223	KBJYQEBVHGEJRW-VKHMYHEASA-N	229.196	-0.947	5	40	BBBB	
[O-][N+](CCO)(CCO)c1[nH]cnc2ncnc1-2	6234793	UJDFXVHYPPPZCS-UHFFFAOYSA-N	239.235	-0.906	5	40	BBBB	in-vitro
O=[N+]([O-])c1nonc1-c1nonc1[N+](=O)[O-]	9041729	HLXBOVLDHPUWBQ-UHFFFAOYSA-N	228.080	-0.064	5	40	BBBB	
NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	4174041	SXSOYEBKXCZKDH-UHFFFAOYSA-N	218.190	-0.052	5	40	BBBB	in-vitro
O=[N+]([O-])c1cnc(N2CCNCC2)nc1	40435104	XNOCXWZSVVSETC-UHFFFAOYSA-N	209.209	-0.206	5	40	BBBB	
COC(=O)[C@@](O)(C[N+](=O)[O-])C(F)(F)F	102958532	JZIAKFJIUQQQJG-BYPYZUCNSA-N	217.099	-0.271	5	40	BBBB	
Cn1nnc(NC(=O)c2ccc([N+](=O)[O-])o2)n1	2394714	PXTLENVWEGXFFZ-UHFFFAOYSA-N	238.163	-0.036	5	40	BBBB	
COc1n[n+]([O-])c(OC)cc1[N+](=O)[O-]	1566754	SEMUBOCKJMUREH-UHFFFAOYSA-N	201.138	-0.360	5	40	BBBB	
O=C(O)c1nc2ncc([N+](=O)[O-])cn2n1	973508	XRDVVRBMLDUXMD-UHFFFAOYSA-N	209.121	-0.269	5	40	BBBB	
O=[N+]([O-])c1ncn(-c2nc(Cl)n[nH]2)n1	5740436	BXIKJAWJJCXBQB-UHFFFAOYSA-N	215.560	-0.053	5	40	BBBB	
Cc1nnc(-n2cc([N+](=O)[O-])cn2)n1N	40165569	RWWATDGRPLIBNZ-UHFFFAOYSA-N	209.169	-0.606	5	40	BBBB	
O=[N+]([O-])c1nccn1[C@@H]1C=C[C@@H](O)[C@H](CO)O1	5117632	CJRBQXDMCWCHBW-CSMHCCOUSA-N	241.203	-0.402	5	40	BBBB	
C[N+]1(C[C@H](O)CN2CCCC2=O)CCOCC1	509667	SKRJIWKWVKJICJ-LLVKDONJSA-N	243.327	-0.554	5	40	BBBB	
O=c1[nH][nH]c(=O)n1-c1cccc([N+](=O)[O-])c1	30952831	IAWBFWGMAXQZGG-UHFFFAOYSA-N	222.160	-0.238	5	40	BBBB	in-vitro
Cn1c(O)nc2ncc([N+](=O)[O-])cc2c1=O	339428	WXUHPWAFUHYRPW-UHFFFAOYSA-N	222.160	-0.058	5	40	BBBB	
O=C(O)Cn1cc([N+](=O)[O-])c([N+](=O)[O-])n1	20428725	JMTHPRKMIBSSGC-UHFFFAOYSA-N	216.109	-0.216	5	40	BBBB	
Cc1nn(C)c(NC[C@H](O)CO)c1[N+](=O)[O-]	85245396	LRTKTULKGVYGRA-LURJTMIESA-N	230.224	-0.598	5	40	BBBB	
Cn1c(=O)[nH]c(=O)c2cc([N+](=O)[O-])cnc21	339426	AEIGIZCEWCUSEW-UHFFFAOYSA-N	222.160	-0.470	5	40	BBBB	
Cn1c(=O)n(C)c2nc(N)c([N+](=O)[O-])cc21	25075518	BHRUUGDPXWHGIW-UHFFFAOYSA-N	223.192	-0.238	5	40	BBBB	
CC1(C)[N+]([O-])=c2ccc([N+](=O)[O-])cc2=[N+]1[O-]	19319713	YLVSVJDCTDBERH-UHFFFAOYSA-N	223.188	-0.678	5	40	BBBB	
CCCNC(=O)Cn1cnc([N+](=O)[O-])n1	2807231	YBIIERKBNVTUCB-UHFFFAOYSA-N	213.197	-0.288	5	40	BBBB	
CN(CC(=O)O)Cc1cc([N+](=O)[O-])n(C)n1	408715670	CICSSFPPLJGPBD-UHFFFAOYSA-N	228.208	-0.155	5	40	BBBB	
Cc1nn2c(=O)c3ccccc3nc2n(N)c1=O	162446	XSKRQLWWPAIQSY-UHFFFAOYSA-N	243.226	-0.573	5	40	BBBB	
CC[C@H](C)n1nc(NC=O)c([N+](=O)[O-])[n+]1[O-]	4462231	LCGDHWRAOXCDIW-YFKPBYRVSA-N	229.196	-0.036	5	40	BBBB	
CC1=C(C)[C@@H]([N+](=O)[O-])S(=O)(=O)[C@@H]1[N+](=O)[O-]	5416216	NNMCSGJRHFMIGW-WDSKDSINSA-N	236.205	-0.043	5	40	BBBB	
CNC(=O)c1ncn(C(=O)OC)c1[N+](=O)[O-]	1020647	ZYCBNXXVFPPZJI-UHFFFAOYSA-N	228.164	-0.235	5	40	BBBB	
COC(=O)c1nc(N)nc(N)c1[N+](=O)[O-]	4876897	GEGZZLDMKGCMSS-UHFFFAOYSA-N	213.153	-0.664	5	40	BBBB	
O=[N+]([O-])[C@H](CO)CC[C@H](CO)[N+](=O)[O-]	18258264	DTJWQPZKFAIYFF-OLQVQODUSA-N	208.170	-0.958	5	40	BBBB	
Cn1cnc([N+](=O)[O-])c1SC[C@@H](O)CO	983900	YHCMLZIYJWGBTA-YFKPBYRVSA-N	233.249	-0.226	5	40	BBBB	
NS(=O)(=O)c1ccc([N+](=O)[O-])cn1	28771489	LCCFZPAJPRESBK-UHFFFAOYSA-N	203.179	-0.363	5	40	BBBB	in-vitro
CCOc1n[n+]([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	4667916	FSGGQLDJZIIDLG-UHFFFAOYSA-N	230.136	-0.070	5	40	BBBB	
O=[N+]([O-])[C@H]1CNC=C(Br)[C@H]1O	9203911	YZIDYPJLZGGULQ-CRCLSJGQSA-N	223.026	-0.168	5	40	BBBB	
O=C(O)c1[nH]nc(-n2cnnc2)c1[N+](=O)[O-]	19737394	WUFBCZSMUMGWPE-UHFFFAOYSA-N	224.136	-0.403	5	40	BBBB	
NC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1	4743344	HKEFNAWYZLFXGD-UHFFFAOYSA-N	238.163	-0.679	5	40	BBBB	
COC[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1	28277174	OOMDXQWHFRMTRP-ZETCQYMHSA-N	242.235	-0.058	5	40	BBBB	
COc1coc([C@H](O)C[N+](=O)[O-])cc1=O	480732	OJBOSPIPTADOOZ-ZCFIWIBFSA-N	215.161	-0.042	5	40	BBBB	
O=C(NC[C@@H](O)CO)c1ccc([N+](=O)[O-])cc1	6506013	ANNALZIKYZEECL-SECBINFHSA-N	240.215	-0.322	5	40	BBBB	
Cn1cnc([N+](=O)[O-])c1NCC(=O)O	4074264	IRCMCCGSNGDMPR-UHFFFAOYSA-N	200.154	-0.175	5	40	BBBB	
Nc1nc2cc3nc(N)c(N)nc3cc2nc1N	1642639	XNZLTAGZYFEYRE-UHFFFAOYSA-N	242.246	-0.098	5	40	BBBB	
O=[N+]([O-])c1ncn(CN2CCOCC2)n1	20507076	AZXQIAHWRHPYGU-UHFFFAOYSA-N	213.197	-0.524	5	40	BBBB	
Cc1ccc[n+](-c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c1	10490832	NAEMSLGKIOLKRI-UHFFFAOYSA-O	249.206	-0.031	5	40	BBBB	
Cc1ncc([N+](=O)[O-])n1CCc1nn[nH]n1	5491010	HZNCSUKWSBLJHJ-UHFFFAOYSA-N	223.196	-0.144	5	40	BBBB	
N[C@H](Cc1[nH]cnc1[N+](=O)[O-])C(=O)O	5116786	ACSLYMUBHGQOHG-GSVOUGTGSA-N	200.154	-0.728	5	40	BBBB	
NNS(=O)(=O)c1ccccc1[N+](=O)[O-]	1420480	QENBJCMCPIVGMF-UHFFFAOYSA-N	217.206	-0.253	5	40	BBBB	in-vitro
O=[N+]([O-])c1ccc(NC[C@H](O)CO)nc1	34476339	IYCQNPBENNXHKL-ZETCQYMHSA-N	213.193	-0.245	5	40	BBBB	
CC[C@H]([C@H](O)[C@@H](O)[C@@H](CC)[N+](=O)[O-])[N+](=O)[O-]	309234519	AMHWUFKKUISTDM-NGJRWZKOSA-N	236.224	-0.181	5	40	BBBB	
Nc1c(C(=O)N2CC(O)C2)cccc1[N+](=O)[O-]	95422145	YIHHSUBPNOWKFX-UHFFFAOYSA-N	237.215	-0.006	5	40	BBBB	
Nc1cc([N+](=O)[O-])ccc1OC[C@H](O)CO	96316039	WXNWGESLINOGIE-SSDOTTSWSA-N	228.204	-0.091	5	40	BBBB	
NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	3152050	DXLZVBZGJRLYQR-UHFFFAOYSA-N	245.260	-0.168	5	40	BBBB	in-vitro
O=[N+]([O-])c1ccc(NC[C@@H](O)CO)nc1	34476340	IYCQNPBENNXHKL-SSDOTTSWSA-N	213.193	-0.245	5	40	BBBB	
Nc1ncnc(N[C@@H](CO)CCO)c1[N+](=O)[O-]	5447361	XSMMPZVQNWGTDE-RXMQYKEDSA-N	243.223	-0.878	5	40	BBBB	
COC[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1	28277172	OOMDXQWHFRMTRP-SSDOTTSWSA-N	242.235	-0.058	5	40	BBBB	
CN(C)CCNc1ncc([N+](=O)[O-])c(N)n1	71287876	WGKFDAVWDCKQSY-UHFFFAOYSA-N	226.240	-0.060	5	40	BBBB	
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1O	201968930	GFDDXSZDOQVYHC-UHFFFAOYSA-N	218.190	-0.052	5	40	BBBB	
CC1=C(C[N+](=O)[O-])CS(=O)(=O)[C@@H]1[N+](=O)[O-]	5416005	SCNBNTOORGGIPJ-LURJTMIESA-N	236.205	-0.389	5	40	BBBB	
O=[N+]([O-])c1nccn1[C@H]1C=C[C@@H](O)[C@H](CO)O1	5117635	CJRBQXDMCWCHBW-GJMOJQLCSA-N	241.203	-0.402	5	40	BBBB	
Cn1c([N+](=O)[O-])cnc1CS(C)(=O)=O	96532810	LSXYVXJOAIDWSO-UHFFFAOYSA-N	219.222	-0.127	5	40	BBBB	
O=C(O)c1cc([N+](=O)[O-])cc2c1[nH]n[n+]2[O-]	3330983	ONWVRCAVJNJDKP-UHFFFAOYSA-N	224.132	-0.197	5	40	BBBB	
Nc1nc(N)nc(Cn2cnc([N+](=O)[O-])c2)n1	26123519	UTESVYODLOAFCJ-UHFFFAOYSA-N	236.195	-0.811	5	40	BBBB	
COc1coc([C@@H](O)C[N+](=O)[O-])cc1=O	480733	OJBOSPIPTADOOZ-LURJTMIESA-N	215.161	-0.042	5	40	BBBB	
Cc1nn(CC(=O)NCCN)c(C)c1[N+](=O)[O-]	2538267	TZCVNFIHWZQRQS-UHFFFAOYSA-N	241.251	-0.517	5	40	BBBB	
O=[N+]([O-])c1cnn(CCN2CCNCC2)c1	43500105	ISWRGXGTRMZTJK-UHFFFAOYSA-N	225.252	-0.304	5	40	BBBB	
Nc1nc(NN2CCOCC2)ncc1[N+](=O)[O-]	71286518	IJYQLAHDJWBDSS-UHFFFAOYSA-N	240.223	-0.374	5	40	BBBB	
NC(=O)CCn1cc([N+](=O)[O-])ccc1=O	9053797	OUPGKXZSJYFAHZ-UHFFFAOYSA-N	211.177	-0.368	5	40	BBBB	
Cc1nn(C)c(NC[C@@H](O)CO)c1[N+](=O)[O-]	85245398	LRTKTULKGVYGRA-ZCFIWIBFSA-N	230.224	-0.598	5	40	BBBB	
O=[N+]([O-])c1c[n+]([O-])cc([N+](=O)[O-])c1O	4995548	PAVOKHLEZDLAMY-UHFFFAOYSA-N	201.094	-0.158	5	40	BBBB	
Nc1nc(N)c2c(n1)[n+]([O-])c1ccccc1[n+]2[O-]	13283605	ZDRRTQAFZCGCRB-UHFFFAOYSA-N	244.214	-0.786	5	40	BBBB	
CC1=C(C)[C@H]([N+](=O)[O-])S(=O)(=O)[C@@H]1[N+](=O)[O-]	16606922	NNMCSGJRHFMIGW-OLQVQODUSA-N	236.205	-0.043	5	40	BBBB	
NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1	43674033	GNUWTGFHHFWNRZ-UHFFFAOYSA-N	245.216	-0.659	5	40	BBBB	
Cc1cc(O)c([N+](=O)[O-])c(=O)n1CC(=O)O	81976919	XUHHQQPFQLOWAV-UHFFFAOYSA-N	228.160	-0.145	5	40	BBBB	
O=C(NC[C@@H](O)CO)c1cccc([N+](=O)[O-])c1	6505868	QRBPJYIFNMPZJR-SECBINFHSA-N	240.215	-0.322	5	40	BBBB	
C[C@H](O)Cn1nc([N+](=O)[O-])nc1[N+](=O)[O-]	38890605	GTFCCIIYLFWOSB-VKHMYHEASA-N	217.141	-0.525	5	40	BBBB	
COC(CNc1ncnc(N)c1[N+](=O)[O-])OC	3912486	KGMCZAZEGMFLSI-UHFFFAOYSA-N	243.223	-0.002	5	40	BBBB	
Cn1nc([N+](=O)[O-])c2c(=O)c(C(=O)O)c[nH]c21	3852482	QTCBIQXAWOYCHN-UHFFFAOYSA-N	238.159	-0.132	5	40	BBBB	
CC(C)Nc1c([N+](=O)[O-])nn(C)[n+]1[O-]	4143892	OZDNZPTZHZKZTD-UHFFFAOYSA-N	201.186	-0.218	5	40	BBBB	
Cc1nnc(-n2cc([N+](=O)[O-])cn2)nc1O	40216557	KULXDSSFLZVKAL-UHFFFAOYSA-N	222.164	-0.020	5	40	BBBB	
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCOCC1	978160	GMJASVRKCDSTCW-UHFFFAOYSA-N	241.207	-0.955	5	40	BBBB	
C[C@@H](Nc1nc([N+](=O)[O-])nn1C)C(=O)O	95116209	USMIBJNHRQKSNO-GSVOUGTGSA-N	215.169	-0.392	5	40	BBBB	
Cn1c(=O)c2c(c([N+](=O)[O-])cn2C)n(C)c1=O	98086996	DRKBFUOPAGKHCT-UHFFFAOYSA-N	238.203	-0.516	5	40	BBBB	
CC(=O)NS(=O)(=O)c1c([N+](=O)[O-])ncn1C	6133769	OMYCDQGFOXRCHJ-UHFFFAOYSA-N	248.220	-0.847	5	40	BBBB	
CC(CCS(C)(=O)=O)([N+](=O)[O-])[N+](=O)[O-]	19319621	GSQPGCJEAKMRMD-UHFFFAOYSA-N	226.210	-0.309	5	40	BBBB	
C[C@@H](O)CNc1ncnc(N)c1[N+](=O)[O-]	3912494	QHEOJQONUJJSCZ-SCSAIBSYSA-N	213.197	-0.240	5	40	BBBB	
NCCC(Br)([N+](=O)[O-])[N+](=O)[O-]	19326200	DSISRLIRJVVBMA-UHFFFAOYSA-N	228.002	-0.063	5	40	BBBB	
O=[N+]([O-])N1CCC([N+](=O)[O-])([N+](=O)[O-])C1	100838988	DIJWOMCODCZHAZ-UHFFFAOYSA-N	206.114	-0.867	5	40	BBBB	
CCOC(=O)Cn1cc([N+](=O)[O-])nn1	96029602	UWAIRTFFSHEDPX-UHFFFAOYSA-N	200.154	-0.251	5	40	BBBB	
O=C1C[C@H](n2cc([N+](=O)[O-])cn2)[C@@H](CO)O1	14987818	URLTYZSUPMLXCA-NKWVEPMBSA-N	227.176	-0.360	5	40	BBBB	
C[C@H](O)CNc1ncnc(N)c1[N+](=O)[O-]	3912493	QHEOJQONUJJSCZ-BYPYZUCNSA-N	213.197	-0.240	5	40	BBBB	
Nc1nnnn1NCc1cccc([N+](=O)[O-])c1	7601181	HHLLTCCAGKETDQ-UHFFFAOYSA-N	235.207	-0.093	5	40	BBBB	
O=[N+]([O-])c1nc([N+](=O)[O-])n(CCO)n1	38890602	SXAATFPUWIPVSR-UHFFFAOYSA-N	203.114	-0.913	5	40	BBBB	
CCO[C@@H]1CS(=O)(=O)C[C@H]1[N+](=O)[O-]	5463047	QAOBFUPTBFUFME-PHDIDXHHSA-N	209.223	-0.535	5	40	BBBB	
Nn1cnn(Cc2ccc([N+](=O)[O-])cc2)c1=O	32936	SXKAESAMNSZLPZ-UHFFFAOYSA-N	235.203	-0.285	5	40	BBBB	
O=C(Cn1cc([N+](=O)[O-])cn1)Nn1cnnc1	4743002	RPXNQQLPQUBNAP-UHFFFAOYSA-N	237.179	-0.847	5	40	BBBB	
Cc1ccn(CCC(N)=O)c(=O)c1[N+](=O)[O-]	84247990	PGRRINVFJZECNS-UHFFFAOYSA-N	225.204	-0.060	5	40	BBBB	
CCO[C@@H]1CS(=O)(=O)C[C@@H]1[N+](=O)[O-]	5463038	QAOBFUPTBFUFME-NTSWFWBYSA-N	209.223	-0.535	5	40	BBBB	
O=[N+]([O-])[C@@H]1CNC=C(Br)[C@@H]1O	9203926	YZIDYPJLZGGULQ-UHNVWZDZSA-N	223.026	-0.168	5	40	BBBB	
Cc1cc(=O)n2nc(N)c([N+](=O)[O-])c2[nH]1	4653710	OPEYDUWYJJNDQN-UHFFFAOYSA-N	209.165	-0.179	5	40	BBBB	
Cn1ncc([N+](=O)[O-])c1CS(C)(=O)=O	96532749	NWBXAXQHOMLOEC-UHFFFAOYSA-N	219.222	-0.127	5	40	BBBB	
NS(=O)(=O)c1cc([N+](=O)[O-])ccn1	28771723	DUASLTXMXXWORM-UHFFFAOYSA-N	203.179	-0.363	5	40	BBBB	in-vitro
Cn1cnc([N+](=O)[O-])c1SC[C@@H](N)C(=O)O	1579324	FLBYGWRKPHQGKL-SCSAIBSYSA-N	246.248	-0.168	5	40	BBBB	
Nc1ncnc(NN2CCOCC2)c1[N+](=O)[O-]	3912540	IDXDSODJAHYIBT-UHFFFAOYSA-N	240.223	-0.374	5	40	BBBB	
CCS(=O)(=O)NCCn1cc([N+](=O)[O-])cn1	77932400	FKRQVJJRCCRQAV-UHFFFAOYSA-N	248.264	-0.269	5	40	BBBB	
NS(=O)(=O)c1cccnc1[N+](=O)[O-]	28771721	QFFPFFCAPYLOFR-UHFFFAOYSA-N	203.179	-0.363	5	40	BBBB	in-vitro
NC(=O)c1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1	3844756	RUSLLAUTIQCSNV-UHFFFAOYSA-N	246.200	-0.060	5	40	BBBB	biogenic
NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1	3271243	ALQZTQJVUITAJX-UHFFFAOYSA-N	214.133	-0.170	5	40	BBBB	
N=C(N)NCCNc1ccc([N+](=O)[O-])c(N)n1	65734265	WQGLETFLDJPSOT-UHFFFAOYSA-N	239.239	-0.533	5	40	BBBB	in-vitro
Cn1c[n+](C)c2c1C[N@@+](C)(CCO)CC2	247638798	FZWZQIJRODCBKK-CQSZACIVSA-N	211.309	-0.655	5	40	BBBB	
Nc1ccc(N(CCO)CCO)cc1[N+](=O)[O-]	5117092	VOLCMGPDRGNUGR-UHFFFAOYSA-N	241.247	-0.032	5	40	BBBB	
NNc1ccc(-n2cnnn2)cc1[N+](=O)[O-]	5670945	XYQJGPZTUJUDFB-UHFFFAOYSA-N	221.180	-0.144	5	40	BBBB	
O=[N+]([O-])c1nccn1[C@@H]1C=C[C@H](O)[C@H](CO)O1	5117630	CJRBQXDMCWCHBW-FXQIFTODSA-N	241.203	-0.402	5	40	BBBB	
O=C(Nc1c[nH]ccc1=O)[C@H]1C[C@@H]1[N+](=O)[O-]	48597663	WISPNRLIIQTFLO-FSPLSTOPSA-N	223.188	-0.021	5	40	BBBB	
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCC1	197125	SKTLDRUELRBGIZ-UHFFFAOYSA-N	225.208	-0.191	5	40	BBBB	
CN(CCO)c1ncnc(N)c1[N+](=O)[O-]	41154202	AYTQZTTXNAASLF-UHFFFAOYSA-N	213.197	-0.605	5	40	BBBB	
Nc1ncnc(N[C@H](CO)CCO)c1[N+](=O)[O-]	5447360	XSMMPZVQNWGTDE-YFKPBYRVSA-N	243.223	-0.878	5	40	BBBB	
CS(=O)(=O)NCCCn1cc([N+](=O)[O-])cn1	48287621	LGQMCJXEVCWCTC-UHFFFAOYSA-N	248.264	-0.269	5	40	BBBB	
COCCNC(=O)CCn1ccc([N+](=O)[O-])n1	2782431	PQRXGJLEIVODKD-UHFFFAOYSA-N	242.235	-0.056	5	40	BBBB	
NC(=O)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1	62701408	PMLBRQHGHCOKDA-UHFFFAOYSA-N	236.191	-0.408	5	40	BBBB	
O=[N+]([O-])[C@@H]1CNC=C(Br)[C@H]1O	9203918	YZIDYPJLZGGULQ-RFZPGFLSSA-N	223.026	-0.168	5	40	BBBB	
Cn1cc([N+](=O)[O-])c(C(=O)NCC(=O)O)n1	973286	FCOSHJHKFPCUGM-UHFFFAOYSA-N	228.164	-0.857	5	40	BBBB	
NC(=S)c1nnc2c([N+](=O)[O-])ncn2c1N	6694818	JQNFNAFUIWUXGL-UHFFFAOYSA-N	239.220	-0.751	5	40	BBBB	
O=c1[nH]c(O)nc(-[n+]2ccccc2)c1[N+](=O)[O-]	9426221	PEWSVMOEDDNBSY-UHFFFAOYSA-O	235.179	-0.340	5	40	BBBB	
Cc1nc2c3no[n+]([O-])c3c3no[n+]([O-])c3c2[nH]1	4494577	WCBVREYYYFUYFG-UHFFFAOYSA-N	248.158	-0.579	5	40	BBBB	
COc1[nH][n+](=O)c(C)c([N+](=O)[O-])c1N	334139017	YWFQGBRNIRYKHE-UHFFFAOYSA-N	201.162	-0.263	5	40	BBBB	
Cc1n[nH]c(S(=O)(=O)CC(=O)O)c1[N+](=O)[O-]	4243865	KCMHDTRAOLODSK-UHFFFAOYSA-N	249.204	-0.515	5	40	BBBB	
CCC(=O)[C@H](C(=O)O)[C@H](O)C[N+](C)(C)C	44830367	ZZFGSVPPOQQHEY-BDAKNGLRSA-O	218.273	-0.267	5	40	BBBB	
C[C@H](Nc1nc([N+](=O)[O-])nn1C)C(=O)O	95116208	USMIBJNHRQKSNO-VKHMYHEASA-N	215.169	-0.392	5	40	BBBB	
Cc1nc2[nH]c(C)c([N+](=O)[O-])c(=O)n2n1	100020034	WZUFKYFTNHWNCX-UHFFFAOYSA-N	209.165	-0.057	5	40	BBBB	
Cn1ncc([N+](=O)[O-])c1C(=O)NCC(=O)O	972897	JSOKMPWQXSUALQ-UHFFFAOYSA-N	228.164	-0.857	5	40	BBBB	
O=[N+]([O-])c1c(NCCO)ncnc1NCCO	4257032	AYVQJPRAIWWNCU-UHFFFAOYSA-N	243.223	-0.807	5	40	BBBB	
C[C@@H](C(=O)O)n1cc(C(N)=O)c([N+](=O)[O-])n1	238856495	WANKVQXZTPRAPS-VKHMYHEASA-N	228.164	-0.464	5	40	BBBB	
O=[N+]([O-])c1ncn(CCO)c1[N+](=O)[O-]	4170578	CMYZHWIAUSMICT-UHFFFAOYSA-N	202.126	-0.308	5	40	BBBB	
Cn1nc([N+](=O)[O-])nc1Sc1n[nH]c(N)n1	19828450	BNHPSTPLCCKAKK-UHFFFAOYSA-N	242.224	-0.425	5	40	BBBB	
Cn1ncnc1[C@](O)(C[N+](=O)[O-])C(F)(F)F	48252146	ATCPUXSKNXRESM-RXMQYKEDSA-N	240.141	-0.158	5	40	BBBB	
O=[N+]([O-])c1ccc2c(c1)=[N+]([O-])C1(CCCC1)[N+]=2[O-]	19324201	LCFCUDVZEQEHDG-UHFFFAOYSA-N	249.226	-0.144	5	40	BBBB	
Cn1cc([N+](=O)[O-])cc1C(=O)NCC(=O)O	8075024	QDACBBDMVZBXBY-UHFFFAOYSA-N	227.176	-0.252	5	40	BBBB	in-vitro
Br[N+]12CN3CN(CN(C3)C1)C2	19319639	VBMSVYFNXLNXCL-UHFFFAOYSA-N	220.094	-0.195	5	40	BBBB	
CCO[C@H]1CS(=O)(=O)C[C@H]1[N+](=O)[O-]	5463124	QAOBFUPTBFUFME-RITPCOANSA-N	209.223	-0.535	5	40	BBBB	
Nc1ccc([N+](=O)[O-])c(S(N)(=O)=O)c1	50649770	MLPYAHUTKYTLBU-UHFFFAOYSA-N	217.206	-0.176	5	40	BBBB	
CCN1CCN(c2nc([N+](=O)[O-])n[nH]2)CC1	536954667	XKRHKNUQRCJQEP-UHFFFAOYSA-N	226.240	-0.145	5	40	BBBB	
COc1n[n+]([O-])c(C)c([N+](=O)[O-])c1N	6525919	XHXGGRMDRIJXMT-UHFFFAOYSA-N	200.154	-0.478	5	40	BBBB	
O=C(Cn1cnc([N+](=O)[O-])n1)NC1CC1	1442518	AKSADRHJFBOBBF-UHFFFAOYSA-N	211.181	-0.535	5	40	BBBB	
Cc1n[n+]2c([N+](=O)[O-])c(C)[nH]n2c1[N+](=O)[O-]	12372007	KQMULQFARVBJHO-UHFFFAOYSA-N	227.160	-0.319	5	40	BBBB	
NCCCNc1[nH]nc(N)c1[N+](=O)[O-]	4624941	DTEMXSWSCJEWGN-UHFFFAOYSA-N	200.202	-0.339	5	40	BBBB	
C[C@H]([C@H](O)CC[C@@H](O)[C@@H](C)[N+](=O)[O-])[N+](=O)[O-]	390152099	USKKUOGYTDOYCE-WCTZXXKLSA-N	236.224	-0.181	5	40	BBBB	
Nc1ncnc(NCCCO)c1[N+](=O)[O-]	3912491	WUIDCPZZDQZDMF-UHFFFAOYSA-N	213.197	-0.239	5	40	BBBB	
O=[N+]([O-])c1n[nH]c(-c2n[nH]c([N+](=O)[O-])n2)n1	4342437	AHXZYSSGVZAEPX-UHFFFAOYSA-N	226.112	-0.594	5	40	BBBB	
Cc1nonc1C[N+]12CN3CN(CN(C3)C1)C2	256055782	SYRDNYXZASHPBH-UHFFFAOYSA-N	237.287	-0.613	5	40	BBBB	
C[N+]1(CC(O)(O)C(F)F)CCOCC1	1643031	GIOJHVGVNWOUCZ-UHFFFAOYSA-N	212.216	-0.591	5	40	BBBB	
C[C@@H]([C@@H](O)[C@@H](O)[C@@H](C)[N+](=O)[O-])[N+](=O)[O-]	142241803	NIONZVYKRZVTQB-GUCUJZIJSA-N	208.170	-0.961	5	40	BBBB	
COC(=O)Cn1cc([N+](=O)[O-])ccc1=O	18263149	BTSQPOVYULGIEC-UHFFFAOYSA-N	212.161	-0.071	5	40	BBBB	
Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1	85223712	UBELRONIIKUZTD-UHFFFAOYSA-N	217.206	-0.176	5	40	BBBB	
C[C@@H](O)Cn1nc([N+](=O)[O-])nc1[N+](=O)[O-]	38890609	GTFCCIIYLFWOSB-GSVOUGTGSA-N	217.141	-0.525	5	40	BBBB	
COc1nn(CC(=O)O)cc1[N+](=O)[O-]	4651904	IONANUGPWMAFGE-UHFFFAOYSA-N	201.138	-0.116	5	40	BBBB	
O=C(NC[C@H](O)CO)c1ccc([N+](=O)[O-])cc1	6506011	ANNALZIKYZEECL-VIFPVBQESA-N	240.215	-0.322	5	40	BBBB	
O=c1n[n+](-c2ccc([N+](=O)[O-])cc2)[nH]o1	6536248	NSGMWYNFZUDTDC-UHFFFAOYSA-O	209.141	-0.452	5	40	BBBB	
C[C@H]([C@H](O)[C@H](O)[C@@H](C)[N+](=O)[O-])[N+](=O)[O-]	142242021	NIONZVYKRZVTQB-KAZBKCHUSA-N	208.170	-0.961	5	40	BBBB	
CC1=C(C)[C@H]([N+](=O)[O-])S(=O)(=O)[C@H]1[N+](=O)[O-]	5416116	NNMCSGJRHFMIGW-PHDIDXHHSA-N	236.205	-0.043	5	40	BBBB	
O=[N+]([O-])c1nccn1[C@H]1C=C[C@H](O)[C@H](CO)O1	5117634	CJRBQXDMCWCHBW-BIIVOSGPSA-N	241.203	-0.402	5	40	BBBB	
Nc1cc([N+](=O)[O-])ccc1OC[C@@H](O)CO	96316040	WXNWGESLINOGIE-ZETCQYMHSA-N	228.204	-0.091	5	40	BBBB	
C[N+](C)(C)CCN(C=O)CC[N+](C)(C)C	1733959	IATGAYXFRISDHB-UHFFFAOYSA-N	217.357	-0.143	5	40	BBBB	
COC(=O)c1cn(CC(=O)O)nc1[N+](=O)[O-]	408716882	SEPDECGJDMLGLH-UHFFFAOYSA-N	229.148	-0.338	5	40	BBBB	
CCS(=O)(=O)c1nc([N+](=O)[O-])n[nH]1	5718947	IMVGHMBIMMCWBR-UHFFFAOYSA-N	206.183	-0.494	5	40	BBBB	
Nc1nc(NCCOCCO)ncc1[N+](=O)[O-]	62022632	SPOVSDVULBMFEI-UHFFFAOYSA-N	243.223	-0.612	5	40	BBBB	
Nc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]	16383154	BXVBIXMPDPFPLK-UHFFFAOYSA-N	222.160	-0.293	5	40	BBBB	
Cn1nc([N+](=O)[O-])cc1CNCCO	408716973	UFKYNIRGHJSTFD-UHFFFAOYSA-N	200.198	-0.590	5	40	BBBB	
CNNP1(=O)OCC(C)([N+](=O)[O-])CO1	1700850	ADYHBJHWISPZHD-UHFFFAOYSA-N	225.141	-0.099	5	40	BBBB	
COC(=O)Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-]	4813081	PBJMQXPULOOIAW-UHFFFAOYSA-N	230.136	-0.128	5	40	BBBB	
CCC(=O)[C@@H](C(=O)O)[C@H](O)C[N+](C)(C)C	44830370	ZZFGSVPPOQQHEY-RKDXNWHRSA-O	218.273	-0.267	5	40	BBBB	
O=C1CN(c2ncccc2[N+](=O)[O-])CCN1	23623293	VGVPAXOUMONUAN-UHFFFAOYSA-N	222.204	-0.074	5	40	BBBB	
Nc1ncc([N+](=O)[O-])cc1S(N)(=O)=O	242390188	ADNAEPBRSNGKCL-UHFFFAOYSA-N	218.194	-0.781	5	40	BBBB	
CC[C@@H]([C@H](O)[C@@H](O)[C@@H](CC)[N+](=O)[O-])[N+](=O)[O-]	309234523	AMHWUFKKUISTDM-YWIQKCBGSA-N	236.224	-0.181	5	40	BBBB	
O=[N+]([O-])c1ncn(Cn2cnc([N+](=O)[O-])n2)n1	59922937	XUQIOHLYKLLJGH-UHFFFAOYSA-N	240.139	-0.808	5	40	BBBB	
COc1nc(OC)c([N+](=O)[O-])[n+]([O-])c1[N+](=O)[O-]	12417979	WMQHDQBNBKQJJP-UHFFFAOYSA-N	246.135	-0.451	5	40	BBBB	
O=[N+]([O-])c1cccc(S(=O)(=O)NCCO)c1	4957106	JVJNXCUFDJYKJN-UHFFFAOYSA-N	246.244	-0.135	5	40	BBBB	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CO	5116493	QQNYOVQUGLPEFB-ZCFIWIBFSA-N	201.182	-0.547	5	40	BBBB	in-vitro
Nc1nn2c(O)c(N)c(O)nc2c1[N+](=O)[O-]	4171631	HOFRPGWDDQZTEB-UHFFFAOYSA-N	226.152	-0.787	5	40	BBBB	
Nc1nc(=O)n2c(nc(=O)c3ccccc32)[nH]1	19819812	CRBARQJYAVZHKA-UHFFFAOYSA-N	229.199	-0.487	5	40	BBBB	
O=C(Nc1c[nH]ccc1=O)[C@H]1C[C@H]1[N+](=O)[O-]	48597667	WISPNRLIIQTFLO-CAHLUQPWSA-N	223.188	-0.021	5	40	BBBB	
CCOC(=O)N[N+]12CCN(CC1)CC2	1557892	XYSUAQKZVYOJPW-UHFFFAOYSA-O	200.262	-0.207	5	40	BBBB	
NNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	3885124	YXTIEPFZXOVXHS-UHFFFAOYSA-N	232.221	-0.472	5	40	BBBB	in-vitro
CN1CCN(c2nc([N+](=O)[O-])n[nH]2)CC1	536953123	JCRZNMCCVIYABL-UHFFFAOYSA-N	212.213	-0.535	5	40	BBBB	
CN(C)S(=O)(=O)c1c([N+](=O)[O-])ncn1C	1670437	YCXMYVPITJWIFQ-UHFFFAOYSA-N	234.237	-0.421	5	40	BBBB	
CCC(=O)[C@H](C(=O)O)[C@@H](O)C[N+](C)(C)C	44830373	ZZFGSVPPOQQHEY-IUCAKERBSA-O	218.273	-0.267	5	40	BBBB	
O=[N+]([O-])c1nccn1C[C@H](O)CN1CC1	5117602	OEWYWFJWBZNJJG-SSDOTTSWSA-N	212.209	-0.532	5	40	BBBB	
Cn1nc([N+](=O)[O-])nc1NCC(=O)O	59922920	SUJPSDHDFPCKJJ-UHFFFAOYSA-N	201.142	-0.780	5	40	BBBB	
CC(CCC(N)=O)(CCC(N)=O)[N+](=O)[O-]	1706482	PPVZREVTDIGOEZ-UHFFFAOYSA-N	217.225	-0.447	5	40	BBBB	
COCCCNC(=O)Cn1cc([N+](=O)[O-])cn1	28270632	RVJPKNGYNQZZAW-UHFFFAOYSA-N	242.235	-0.056	5	40	BBBB	
CC[C@H]([C@H](O)[C@H](O)[C@@H](CC)[N+](=O)[O-])[N+](=O)[O-]	164126078	AMHWUFKKUISTDM-XUTVFYLZSA-N	236.224	-0.181	5	40	BBBB	
O=[N+]([O-])[C@H](CO)CCC[C@H](CO)[N+](=O)[O-]	17128667	PNUSDWIBPOUKOB-KNVOCYPGSA-N	222.197	-0.568	5	40	BBBB	
Nc1nc2ccc([N+](=O)[O-])cc2[n+]([O-])n1	18192656	PHHMEVWJJAMNFZ-UHFFFAOYSA-N	207.149	-0.246	5	40	BBBB	
NC(=O)[C@H](N)Cc1ccc([N+](=O)[O-])cc1	34154336	GZVVTACFGLQAFF-MRVPVSSYSA-N	209.205	-0.050	5	40	BBBB	in-vitro
Cn1ncnc1[C@@](O)(C[N+](=O)[O-])C(F)(F)F	48252144	ATCPUXSKNXRESM-YFKPBYRVSA-N	240.141	-0.158	5	40	BBBB	
NS(=O)(=O)c1ccc([N+](=O)[O-])nc1	28769295	VCKYBMRVGOWVBY-UHFFFAOYSA-N	203.179	-0.363	5	40	BBBB	in-vitro
CC1=C(C[N+](=O)[O-])CS(=O)(=O)[C@H]1[N+](=O)[O-]	5416006	SCNBNTOORGGIPJ-ZCFIWIBFSA-N	236.205	-0.389	5	40	BBBB	
CC[C@@H](C)n1nc(NC=O)c([N+](=O)[O-])[n+]1[O-]	4462229	LCGDHWRAOXCDIW-RXMQYKEDSA-N	229.196	-0.036	5	40	BBBB	
Cn1cnc([N+](=O)[O-])c1SC[C@H](O)CO	983899	YHCMLZIYJWGBTA-RXMQYKEDSA-N	233.249	-0.226	5	40	BBBB	
NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	2585293	YNQAHCRZFJEDMN-UHFFFAOYSA-N	245.260	-0.168	5	40	BBBB	biogenic,in-vitro
CC(C)(CCN(CC(=O)O)CC(=O)O)[N+](=O)[O-]	1587799	ZNHPHBKMMAXBCD-UHFFFAOYSA-N	248.235	-0.097	5	40	BBBB	
O=[N+]([O-])c1n[nH]c(Cc2nc([N+](=O)[O-])n[nH]2)n1	59922917	UVEPGRHRSHIDFN-UHFFFAOYSA-N	240.139	-0.670	5	40	BBBB	
C[C@@H](C(=O)O)n1cc([N+](=O)[O-])c(C(N)=O)n1	242390304	AJKUNEXHGQBHHA-VKHMYHEASA-N	228.164	-0.464	5	40	BBBB	
NC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1N	50697824	YLBUIJMPXSMERD-UHFFFAOYSA-N	238.203	-0.608	5	40	BBBB	
CN(C)c1nc(N)c([N+](=O)[O-])c(NCCO)n1	5050760	SJGYZLPQUOFJJI-UHFFFAOYSA-N	242.239	-0.563	5	40	BBBB	
N[n+]1cnn(Cc2ccccc2[N+](=O)[O-])c1	33682006	NCKBUPZTDQYPEZ-UHFFFAOYSA-N	220.212	-0.159	5	40	BBBB	
n1[nH]nc2c1c1n[nH]nc1c1n[nH]nc21	985495	ZDPWWLUQROVMON-UHFFFAOYSA-N	201.153	-0.500	5	40	BBBB	
CNc1nc(N)c([N+](=O)[O-])c(NCCO)n1	4306233	AFFFHXLEGHEVCG-UHFFFAOYSA-N	228.212	-0.587	5	40	BBBB	
CO[C@@H](C)[C@@H]1[C@H]([N+](C)(C)C)CS1(=O)=O	4973147	VBKYKUMTHZPFBI-DJLDLDEBSA-N	222.330	-0.107	5	40	BBBB	
O=C(Nc1c[nH]ccc1=O)[C@@H]1C[C@H]1[N+](=O)[O-]	48597665	WISPNRLIIQTFLO-IYSWYEEDSA-N	223.188	-0.021	5	40	BBBB	
Cn1nc([N+](=O)[O-])nc1Sc1ncn[nH]1	19828130	XTQHFJRXWXAYNO-UHFFFAOYSA-N	227.209	-0.007	5	40	BBBB