smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cn1nc(CN)cc1[N+](=O)[O-]	72209634	FRYDJVIZNBZTPP-UHFFFAOYSA-N	156.145	-0.213	5	40	ABBB	
CC(C)[N@@+]1(C)CC[C@@H](O)N1C=O	254557642	LUPMXBRASRJIBQ-PSASIEDQSA-N	173.236	-0.063	5	40	ABBB	
O=[N+]([O-])c1cccc2c1COB2O	231457212	RTDNSCFUOJSBLZ-UHFFFAOYSA-N	178.940	-0.188	5	40	ABBB	
Cc1nc(NN)c([N+](=O)[O-])c(NN)n1	6223661	ZFPAZOBBVXFTFU-UHFFFAOYSA-N	199.174	-0.736	5	40	ABBB	
O=[N+]([O-])C=C1NCCN1	4110384	OHXNZFJZRFHBLX-UHFFFAOYSA-N	129.119	-0.745	5	40	ABBB	
O=[N+]([O-])C1([N+](=O)[O-])COCOC1	19319321	RDADUROBQIJEIM-UHFFFAOYSA-N	178.100	-0.760	5	40	ABBB	
CN(N)c1nc([N+](=O)[O-])nn1C	59922946	BESMPSUAUTYAMV-UHFFFAOYSA-N	172.148	-0.967	5	40	ABBB	
O=c1c([N+](=O)[O-])c[nH]c2ncnn12	1295901	YJNXLKSCDFHLLQ-UHFFFAOYSA-N	181.111	-0.674	5	40	ABBB	
Cc1nc(N)nc(N)c1[N+](=O)[O-]	4715467	ULAHPOJYMNCRIF-UHFFFAOYSA-N	169.144	-0.142	5	40	ABBB	
O=C(O)c1cc[n+]([O-])cc1[N+](=O)[O-]	5240496	FEOVCLUGTJNLBQ-UHFFFAOYSA-N	184.107	-0.074	5	40	ABBB	
CC(=O)Cn1ncc([N+](=O)[O-])n1	1295894	BSLLMBYARPJUCL-UHFFFAOYSA-N	170.128	-0.225	5	40	ABBB	
Nc1nonc1-n1ncc([N+](=O)[O-])n1	4343480	XMAQUOPEFLLMIA-UHFFFAOYSA-N	197.114	-0.859	5	40	ABBB	
C[N+]1(CCO)CCOCC1	369913	HCQVOEBHAJXJSJ-UHFFFAOYSA-N	146.210	-0.545	5	40	ABBB	
NNc1ncncc1[N+](=O)[O-]	4086718	OHSZSXYJPNSOII-UHFFFAOYSA-N	155.117	-0.330	5	40	ABBB	
Cc1nc(NN)nc(NN)c1[N+](=O)[O-]	4086624	UHICILMLGIYPAG-UHFFFAOYSA-N	199.174	-0.736	5	40	ABBB	
CCc1[nH]nc(C(N)=O)c1[N+](=O)[O-]	12505527	XTPUQGFKKAURLH-UHFFFAOYSA-N	184.155	-0.021	5	40	ABBB	
NC(=O)c1[nH]nc2c([N+](=O)[O-])n[nH]c12	71928150	YXZYICXETWOIKF-UHFFFAOYSA-N	196.126	-0.707	5	40	ABBB	
Cc1cc([N+](=O)[O-])nn1CCC(N)=O	2732080	FGPCPSQRKXLKQS-UHFFFAOYSA-N	198.182	-0.025	5	40	ABBB	
CS(=O)(=O)c1nc([N+](=O)[O-])n[nH]1	4537580	SILFJXOFOIYJAT-UHFFFAOYSA-N	192.156	-0.884	5	40	ABBB	
Cn1nc([N+](=O)[O-])nc1[N+](=O)[O-]	4257589	KVIRASHUIHAZJN-UHFFFAOYSA-N	173.088	-0.369	5	40	ABBB	
C[N+](C)(C)CCCS(=O)(=O)O	1674777	WFJHXXPYPMNRPK-UHFFFAOYSA-O	182.265	-0.030	5	40	ABBB	in-vitro
Nc1nnc(-c2[nH]ncc2[N+](=O)[O-])o1	4344031	NXXQKBAEUNCANE-UHFFFAOYSA-N	196.126	-0.050	5	40	ABBB	
Cn1cc([N+](=O)[O-])c(N)n1	32187841	ATPXGQVBSCIPET-UHFFFAOYSA-N	142.118	-0.090	5	40	ABBB	
COc1ncnc(N)c1[N+](=O)[O-]	4032006	WOWLLOQOVOHVSH-UHFFFAOYSA-N	170.128	-0.024	5	40	ABBB	
CN(C)c1nc([N+](=O)[O-])n[nH]1	95116194	AROVSEVVSHJGAU-UHFFFAOYSA-N	157.133	-0.221	5	40	ABBB	
Cn1ccc(O)c([N+](=O)[O-])c1=O	257198070	RRJVFCWRAGAYAJ-UHFFFAOYSA-N	170.124	-0.001	5	40	ABBB	
Nc1nc[nH]c(=O)c1[N+](=O)[O-]	8764094	IQOLJQIRPDJLKC-UHFFFAOYSA-N	156.101	-0.740	5	40	ABBB	in-vitro
C[N+](C)(C)CP(=O)(O)O	1720889	WYKNNRXUNHJPDJ-UHFFFAOYSA-O	154.126	-0.172	5	40	ABBB	
CC(=O)Cn1nc([N+](=O)[O-])nc1N	4689179	MJOGRARFWPPJND-UHFFFAOYSA-N	185.143	-0.643	5	40	ABBB	
Cn1nc([N+](=O)[O-])nc1N	95116206	QCYOWCCEGMBZOY-UHFFFAOYSA-N	143.106	-0.695	5	40	ABBB	
Nc1cc([N+](=O)[O-])cc[n+]1[O-]	1703770	ATTJTDHIRKDPEB-UHFFFAOYSA-N	155.113	-0.190	5	40	ABBB	
COC(=O)/C=C/C([N+](=O)[O-])[N+](=O)[O-]	104046593	DOOZYCBNEXLPJN-NSCUHMNNSA-N	190.111	-0.405	5	40	ABBB	
O=c1ccc([N+](=O)[O-])c(O)[nH]1	15767199	OANIJGWISUGBFS-UHFFFAOYSA-N	156.097	-0.011	5	40	ABBB	
Cc1no[n+]([O-])c1[N+](=O)[O-]	5064025	KQXOSOWBVBOOAW-UHFFFAOYSA-N	145.074	-0.475	5	40	ABBB	
COC(=O)c1nc([N+](=O)[O-])n[nH]1	1574152	YYOJQHLOAOGWKJ-UHFFFAOYSA-N	172.100	-0.501	5	40	ABBB	
Cc1cc([N+](=O)[O-])nn1N	5003197	FOQGRNCMLMGLFF-UHFFFAOYSA-N	142.118	-0.186	5	40	ABBB	
CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	95678182	WFNMEOVAYOYUJO-UHFFFAOYSA-N	179.088	-0.120	5	40	ABBB	
CC(C)[N+]1(C)CC[C@H](O)N1C=O	24324	LUPMXBRASRJIBQ-PEHGTWAWSA-N	173.236	-0.063	5	40	ABBB	
O=[N+]([O-])c1cn(CO)nn1	5567174	BSQVGTMUGNNHTN-UHFFFAOYSA-N	144.090	-0.864	5	40	ABBB	
COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	32627893	IUWIUHGJPLTNRP-QWWZWVQMSA-N	145.114	-0.175	5	40	ABBB	
CN(C)c1nc(N)nc(N)c1[N+](=O)[O-]	4085836	BXYCKVAWYGHDTN-UHFFFAOYSA-N	198.186	-0.385	5	40	ABBB	
C[N+]1(C)C[C@H](C(=O)O)[C@@H](O)C1	4027545	WTBNMEWVZFFAPJ-WDSKDSINSA-O	160.193	-0.862	5	40	ABBB	biogenic
C[N+](C)(N)CCC[N+](C)(C)N	1691446	QTEHRLBEFQGPKD-UHFFFAOYSA-N	162.281	-0.723	5	40	ABBB	in-vitro
COC(=O)/C=C\C([N+](=O)[O-])[N+](=O)[O-]	104046590	DOOZYCBNEXLPJN-IHWYPQMZSA-N	190.111	-0.405	5	40	ABBB	
Cn1nc([N+](=O)[O-])cc1NN	408715155	ITQKYVIOIPRUPI-UHFFFAOYSA-N	157.133	-0.386	5	40	ABBB	
CC[N+](C)(C)C[C@@H](O)CC(=O)O	71404887	WQBGFJZQZGKHTE-ZETCQYMHSA-O	176.236	-0.082	5	40	ABBB	
CN(C)C(=O)NCC[N+](C)(C)C	1697676	BWRFGWYBAYMRQX-UHFFFAOYSA-O	174.268	-0.036	5	40	ABBB	
CNc1nc([N+](=O)[O-])n[nH]1	95116192	DSBLPRHEHQOBJM-UHFFFAOYSA-N	143.106	-0.245	5	40	ABBB	
Cc1nn(CCO)c(N)c1[N+](=O)[O-]	43671068	RQIFZNGCMZASEJ-UHFFFAOYSA-N	186.171	-0.326	5	40	ABBB	in-vitro
Cn1nc([N+](=O)[O-])cc1CC(=O)O	72209561	UQCHCOCUBDFNIT-UHFFFAOYSA-N	185.139	-0.045	5	40	ABBB	
Cc1[nH]c2ncnn2c(=O)c1[N+](=O)[O-]	100020031	VUZRUCMCZNGSSM-UHFFFAOYSA-N	195.138	-0.366	5	40	ABBB	
CN1CCC(O)(C[N+](=O)[O-])CC1	1708477	XIKAWPIDTFYWLQ-UHFFFAOYSA-N	174.200	-0.280	5	40	ABBB	
O=C(O)c1n[nH]nc1[N+](=O)[O-]	4342478	KUSAQLMAEMVDRO-UHFFFAOYSA-N	158.073	-0.589	5	40	ABBB	
CNC(=O)Cn1cc([N+](=O)[O-])cn1	70187234	WMLQHWGCESQYGM-UHFFFAOYSA-N	184.155	-0.463	5	40	ABBB	in-vitro
CO[C@@H]1CS(=O)(=O)C[C@H]1[N+](=O)[O-]	5511849	YFSHXZUPNJKBDS-RFZPGFLSSA-N	195.196	-0.925	5	40	ABBB	
Cn1cnnc1[N+](=O)[O-]	1564459	LHLOUOBEVNETKW-UHFFFAOYSA-N	128.091	-0.277	5	40	ABBB	
CC[N+]12CC=C(CO)[C@H]1[C@@H](O)CC2	5208240	TYQRLCPSZPMNGS-QRHSGQBVSA-N	184.259	-0.111	5	40	ABBB	
O=[N+]([O-])C[C@H]1CO1	39199623	AEPUGFWEAQZTIB-VKHMYHEASA-N	103.077	-0.338	5	40	ABBB	
CC(C)([C@@H](N)C(=O)O)[N+](=O)[O-]	141249449	SVQLBNMIYIBLOU-VKHMYHEASA-N	162.145	-0.546	5	40	ABBB	in-vitro
Cn1nc([N+](=O)[O-])c2c(O)ncnc21	3852572	ZZUHUUNZZRXDRR-UHFFFAOYSA-N	195.138	-0.023	5	40	ABBB	
O=[N+]([O-])c1ccn([N+](=O)[O-])n1	95883336	WDETXHQYBSBUJC-UHFFFAOYSA-N	158.073	-0.169	5	40	ABBB	in-vitro
Cc1nn(CC(N)=O)c(C)c1[N+](=O)[O-]	197056	ZMYXDYPCIBBWCI-UHFFFAOYSA-N	198.182	-0.107	5	40	ABBB	
CC(C)[N@@+]1(C)CC[C@H](O)N1C=O	254557644	LUPMXBRASRJIBQ-WCBMZHEXSA-N	173.236	-0.063	5	40	ABBB	
C[N+](C)(C)[C@H]1CCS(=O)(=O)C1	3865802	CWTKGXWKNJANED-ZETCQYMHSA-N	178.277	-0.120	5	40	ABBB	
C[C@@H](O)C[N+](=O)[O-]	1758995	PFNCKQIYLAVYJF-GSVOUGTGSA-N	105.093	-0.356	5	40	ABBB	in-vitro
O=[N+]([O-])CC1=NCCN1	1384687	XDDKIEABPTZZTO-UHFFFAOYSA-N	129.119	-0.735	5	40	ABBB	
Nc1n[nH]c(N)c1[N+](=O)[O-]	4624940	WOVRMGLBHQMAFH-UHFFFAOYSA-N	143.106	-0.518	5	40	ABBB	
C[N+]1(C)[C@H]2CC(O)C[C@H]1[C@@H]1O[C@H]12	199753860	IHDIVGVZYGVCEG-JBDRJPRFSA-N	170.232	-0.264	5	40	ABBB	in-vitro
NC(=O)CCn1ccc([N+](=O)[O-])n1	2732129	SUGUWURFMIYVKJ-UHFFFAOYSA-N	184.155	-0.333	5	40	ABBB	
O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-]	5157273	ZWYGYMZMGJZSMM-PWNYCUMCSA-N	131.087	-0.264	5	40	ABBB	in-vitro
Cn1cnc(NCCO)c1[N+](=O)[O-]	5322943	VQCIKXUUUJFSOB-UHFFFAOYSA-N	186.171	-0.268	5	40	ABBB	
CN1C(=O)N[N+](C)(C)C1=O	17000662	WRNRWAROXHYNJY-UHFFFAOYSA-O	144.154	-0.247	5	40	ABBB	
C[N+](C)(C)[BH2-][N+](C)(C)C	195813749	XTQMTJKARQPNQW-UHFFFAOYSA-N	131.052	-0.602	5	40	ABBB	
C[C@]1(CO)Cn2cc([N+](=O)[O-])nc2O1	15442561	UYEAVRLFLZMBSY-SSDOTTSWSA-N	199.166	-0.065	5	40	ABBB	
CC(=O)NCC[N+](C)(C)C	369936	BYIYZRMQERRUBC-UHFFFAOYSA-O	145.226	-0.171	5	40	ABBB	
C[N+]1(C)[C@@H]2CC(O)C[C@@H]1[C@H]1O[C@@H]12	102214481	IHDIVGVZYGVCEG-FNCVBFRFSA-N	170.232	-0.264	5	40	ABBB	
CC1=NC(=C([N+](=O)[O-])[N+](=O)[O-])NN1	33654736	PBBMDLNTNVRXPT-UHFFFAOYSA-N	187.115	-0.807	5	40	ABBB	
C[N+]1(C)[C@H]2CNC(=O)C[C@@H]1COC2	71785291	MWXBJWSJMFJMHQ-SFYZADRCSA-O	185.247	-0.650	5	40	ABBB	
CC1=C([N+](=O)[O-])CS(=O)(=O)C1	5416003	NXXPDBSJKPNLIT-UHFFFAOYSA-N	177.181	-0.035	5	40	ABBB	
O=[N+]([O-])c1nonc1-c1nnn[nH]1	6452771	HYDIRCKUWOKNCH-UHFFFAOYSA-N	183.087	-0.842	5	40	ABBB	
O=C(O)c1c[n+]([O-])ccc1[N+](=O)[O-]	1682591	OYLXIYDCLHUDQV-UHFFFAOYSA-N	184.107	-0.074	5	40	ABBB	
Cn1nnc2c(=O)[nH]cc([N+](=O)[O-])c21	3205351	FJJMFCQIEWUETN-UHFFFAOYSA-N	195.138	-0.435	5	40	ABBB	
CCN1COC[C@](CO)([N+](=O)[O-])C1	31925009	ZZSOLQXHSQAFET-ZETCQYMHSA-N	190.199	-0.696	5	40	ABBB	
O=[N+]([O-])c1cn([N+](=O)[O-])cn1	5323064	HZPSREFSUPXCMN-UHFFFAOYSA-N	158.073	-0.169	5	40	ABBB	
C[N+]12CN3CN(CN(C3)C1)C2	19205518	ZWRDTZZCWMQVJM-UHFFFAOYSA-N	155.225	-0.875	5	40	ABBB	
O=[N+]([O-])c1cnc(OCCO)nc1	3102032	LYLYZFQERFUWIO-UHFFFAOYSA-N	185.139	-0.244	5	40	ABBB	
NNc1c(O)ccc([N+](=O)[O-])c1NN	40538118	DVPMGURBJKTNJB-UHFFFAOYSA-N	199.170	-0.128	5	40	ABBB	
COc1nn(CCO)cc1[N+](=O)[O-]	12357745	GUZXGCLQOGQIPB-UHFFFAOYSA-N	187.155	-0.208	5	40	ABBB	
Cn1c([N+](=O)[O-])c[nH]c1=O	104631656	SVAPKTPODYDOQB-UHFFFAOYSA-N	143.102	-0.378	5	40	ABBB	
C[N+](C)(C)[BH2-][n+]1ccccc1S	263607528	SANKJIWOEFKKMT-UHFFFAOYSA-N	183.109	-0.184	5	40	ABBB	
C[N+]1(C)CCC(=O)N1	72230673	KMKPVUOKSBJYQP-UHFFFAOYSA-O	115.156	-0.502	5	40	ABBB	
COc1nc(N)nc(N)c1[N+](=O)[O-]	4085837	UNNZPECXNRXOAY-UHFFFAOYSA-N	185.143	-0.442	5	40	ABBB	
Nc1nc2nc([N+](=O)[O-])[nH]c2c(=O)[nH]1	2392230	IYHJRKNFFYAOGE-UHFFFAOYSA-N	196.126	-0.863	5	40	ABBB	in-vitro
C[N+](C)(C)CCS(=O)(=O)O	1688710	BXYUEGANNHFECO-UHFFFAOYSA-O	168.238	-0.420	5	40	ABBB	
N=C(N)Cn1cc([N+](=O)[O-])cn1	40538801	OGILUYXTAQRFMC-UHFFFAOYSA-N	169.144	-0.273	5	40	ABBB	in-vitro
C[N+](C)(C)[BH2-]Cl	195785010	WGRYAWBYBDPPFP-UHFFFAOYSA-N	107.393	-0.070	5	40	ABBB	
O=C(O)CCn1cnc([N+](=O)[O-])n1	2537013	KKCPKIOXVIYZME-UHFFFAOYSA-N	186.127	-0.339	5	40	ABBB	
COc1nc([N+](=O)[O-])n[nH]1	39245318	UWLMHJSOAOQYSF-UHFFFAOYSA-N	144.090	-0.279	5	40	ABBB	
CNC(=O)c1n[nH]c(C)c1[N+](=O)[O-]	4772022	VPVQEBWABVWGIJ-UHFFFAOYSA-N	184.155	-0.014	5	40	ABBB	
C[N+](C)(C)[C@@H]1CCS(=O)(=O)C1	3865801	CWTKGXWKNJANED-SSDOTTSWSA-N	178.277	-0.120	5	40	ABBB	
C[N+](C)(C)C[C@@H](N)CC(=O)O	13437761	DAWBGYHPBBDHMQ-LURJTMIESA-O	161.225	-0.505	5	40	ABBB	
NC(=O)c1c[nH]nc1[N+](=O)[O-]	34616957	MCOJDENHMYYSQV-UHFFFAOYSA-N	156.101	-0.583	5	40	ABBB	
O=C1N=c2cncc([N+](=O)[O-])c2=N1	5630724	SUVXDQVQESQNNN-UHFFFAOYSA-N	178.107	-0.637	5	40	ABBB	
O=CN[C@@H](C[N+](=O)[O-])C(F)(F)F	5620495	GDWHQWRXWTUHEE-VKHMYHEASA-N	186.089	-0.060	5	40	ABBB	
Nc1cc[n+]([O-])cc1[N+](=O)[O-]	4994249	SAWJCSDXSNMJFO-UHFFFAOYSA-N	155.113	-0.190	5	40	ABBB	
Cn1nc(C(N)=O)cc1[N+](=O)[O-]	72209479	HKNPTXQHZRXDAD-UHFFFAOYSA-N	170.128	-0.573	5	40	ABBB	
Cc1nn(CC(N)=O)cc1[N+](=O)[O-]	34925248	DSWGEJRUFDSNCT-UHFFFAOYSA-N	184.155	-0.415	5	40	ABBB	
Nc1c([N+](=O)[O-])ncn1CCO	4125317	GNYVILNGCXVJGC-UHFFFAOYSA-N	172.144	-0.634	5	40	ABBB	
CCc1nc(=O)c([N+](=O)[O-])c(O)[nH]1	17285639	XSQADURXUUGZPI-UHFFFAOYSA-N	185.139	-0.054	5	40	ABBB	
Cc1nc2[nH]cc([N+](=O)[O-])c(=O)n2n1	1301243	YKTCABQFBUMIHH-UHFFFAOYSA-N	195.138	-0.366	5	40	ABBB	
C[N+](C)(C)CC(F)([N+](=O)[O-])[N+](=O)[O-]	19324987	UIJCQVPBGUHUOM-UHFFFAOYSA-N	196.158	-0.131	5	40	ABBB	
Nc1ccc([N+](=O)[O-])c[n+]1[O-]	5664866	ALKVVEPYBMWXPZ-UHFFFAOYSA-N	155.113	-0.190	5	40	ABBB	
CN(N=O)c1nc([N+](=O)[O-])nn1C	59922924	RLWGMQFHQLVICI-UHFFFAOYSA-N	186.131	-0.159	5	40	ABBB	
O=C1CC[C@@H]([N+](=O)[O-])C2(COC2)N1	253388062	AZLDAEUQHXTOSB-RXMQYKEDSA-N	186.167	-0.689	5	40	ABBB	in-vitro
CC[N+]12CC=C(CO)[C@H]1[C@H](O)CC2	5208241	TYQRLCPSZPMNGS-JKIOLJMWSA-N	184.259	-0.111	5	40	ABBB	
C[N+](C)(C)CCOC(=O)CN	1677405	QJOSIAWZYPKGND-UHFFFAOYSA-N	161.225	-0.806	5	40	ABBB	
O=C(O)c1n[nH]c2c([N+](=O)[O-])n[nH]c12	6565542	QQBSADNKEYRGJJ-UHFFFAOYSA-N	197.110	-0.108	5	40	ABBB	
C[N+](C)(C)CCCS(=O)(=O)[O-]	329788173	WFJHXXPYPMNRPK-UHFFFAOYSA-N	181.257	-0.372	5	40	ABBB	
O=C(O)Cn1ccc(=O)c([N+](=O)[O-])c1	82164350	ADWAAXYMXLDLFQ-UHFFFAOYSA-N	198.134	-0.159	5	40	ABBB	in-vitro
O=[N+]([O-])c1nc[nH]c1CO	39061309	GBBKXKSJYULCBY-UHFFFAOYSA-N	143.102	-0.190	5	40	ABBB	
Cn1cnc(N)c([N+](=O)[O-])c1=O	4085833	HCTKNRQMDRVBHW-UHFFFAOYSA-N	170.128	-0.729	5	40	ABBB	
CO[C@H]1CS(=O)(=O)C[C@H]1[N+](=O)[O-]	5511886	YFSHXZUPNJKBDS-UHNVWZDZSA-N	195.196	-0.925	5	40	ABBB	
Nc1nc(NCCO)ncc1[N+](=O)[O-]	56908470	GKQGPBRFBHTRGD-UHFFFAOYSA-N	199.170	-0.629	5	40	ABBB	
Cn1nc([N+](=O)[O-])cc1C(N)=O	72209475	KAXXUUUYVUKDKF-UHFFFAOYSA-N	170.128	-0.573	5	40	ABBB	
CCCn1cc([N+](=O)[O-])c(=O)[nH]c1=O	11919399	DJQYDKPJTQVLCV-UHFFFAOYSA-N	199.166	-0.145	5	40	ABBB	
CC[C@@H](CS(=O)(=O)O)[N+](=O)[O-]	1672842	UPJUQZAOTUYIMG-BYPYZUCNSA-N	183.185	-0.071	5	40	ABBB	in-vitro
C[N+]1(C)CCS(=O)(=O)CC1	1560041	FEABGPHMIFGBKN-UHFFFAOYSA-N	164.250	-0.509	5	40	ABBB	
Cc1cc([N+](=O)[O-])nn1CC(N)=O	1506570	BGJMJQLOQOFXSP-UHFFFAOYSA-N	184.155	-0.415	5	40	ABBB	
N[C@@H](CCCC[N+](=O)[O-])C(=O)O	38235104	LMSAJWJHQUHKSX-YFKPBYRVSA-N	176.172	-0.155	5	40	ABBB	in-vitro
Cn1cc(N)c([N+](=O)[O-])n1	4014784	WSPATACRXQZVGG-UHFFFAOYSA-N	142.118	-0.090	5	40	ABBB	
Nc1ncncc1[N+](=O)[O-]	4114388	IUPXWOAZKBCBLN-UHFFFAOYSA-N	140.102	-0.033	5	40	ABBB	
O=C1CC=c2cccc([N+](=O)[O-])c2=N1	85346328	XTEPTIMAPAHMJX-UHFFFAOYSA-N	190.158	-0.075	5	40	ABBB	
Cn1ncc([N+](=O)[O-])c1C(N)=O	2250380	OZIJRCYSJKCNNZ-UHFFFAOYSA-N	170.128	-0.573	5	40	ABBB	
COC(=O)CC[N+](=O)[O-]	2539479	PVOVDKWDSQCJAA-UHFFFAOYSA-N	133.103	-0.174	5	40	ABBB	
Cn1cc(CO)c([N+](=O)[O-])n1	39063145	NHCXNPSBOVMFKR-UHFFFAOYSA-N	157.129	-0.179	5	40	ABBB	in-vitro
CN(C)C(=O)Cn1cc([N+](=O)[O-])cn1	70225663	HWXGENPDNUUZHF-UHFFFAOYSA-N	198.182	-0.121	5	40	ABBB	
CNC(=O)c1[nH]ncc1[N+](=O)[O-]	1066788	ISNHIOFCZRFQMK-UHFFFAOYSA-N	170.128	-0.323	5	40	ABBB	
Cc1n[nH]c(C(N)=O)c1[N+](=O)[O-]	4353303	MWTOSFMGNUDEHY-UHFFFAOYSA-N	170.128	-0.275	5	40	ABBB	in-vitro
CCNC(=O)[BH2-][N+](C)(C)C	195792730	XAAXUKQFDUXACM-UHFFFAOYSA-N	144.027	-0.494	5	40	ABBB	
CNc1nc[nH]c(=O)c1[N+](=O)[O-]	12654012	XSUMVHAKMGCFBA-UHFFFAOYSA-N	170.128	-0.280	5	40	ABBB	
Cn1nc(CO)cc1[N+](=O)[O-]	72209568	CCLXLBAVFHSAFJ-UHFFFAOYSA-N	157.129	-0.179	5	40	ABBB	
C[N+]1(N)CCOCC1	1564255	ISVBKDLTMQSOQQ-UHFFFAOYSA-N	117.172	-0.663	5	40	ABBB	
C[N+]1(C)[C@H]2CC(O)C[C@@H]1[C@H]1O[C@H]21	102214485	IHDIVGVZYGVCEG-HFYYSOHNSA-N	170.232	-0.264	5	40	ABBB	
CN1COC[C@](C)([N+](=O)[O-])C1	31555142	NEACXASRQZHDPP-ZCFIWIBFSA-N	160.173	-0.059	5	40	ABBB	
CC(C)[N+]1(C)CC[C@@H](O)N1C=O	3982116	LUPMXBRASRJIBQ-HNHGDDPOSA-N	173.236	-0.063	5	40	ABBB	
N=C(N)n1cc([N+](=O)[O-])cn1	39090790	GWMAVQBKDIWTPH-UHFFFAOYSA-N	155.117	-0.467	5	40	ABBB	
O=C1C=c2ccc([N+](=O)[O-])cc2=N1	85346331	OSVJODVYHLJKIV-UHFFFAOYSA-N	176.131	-0.465	5	40	ABBB	
CC(=O)n1nc(N)c([N+](=O)[O-])c1N	4170698	DKXWQNGGAKKGTF-UHFFFAOYSA-N	185.143	-0.384	5	40	ABBB	
O=[N+]([O-])c1n[nH]c([N+](=O)[O-])n1	4405530	SXMBECNFEHPCNP-UHFFFAOYSA-N	159.061	-0.379	5	40	ABBB	
O=[N+]([O-])Cc1cnc2nncn2n1	1616845	WGJVRRDYUFUJAP-UHFFFAOYSA-N	180.127	-0.704	5	40	ABBB	
CN(C)CC(=O)OCC[N+](C)(C)C	1677404	KIOYNXICNYWOKF-UHFFFAOYSA-N	189.279	-0.203	5	40	ABBB	
CC[N+](C)(CCO)CCO	1998809	IWBPYNRFDQOVKM-UHFFFAOYSA-N	148.226	-0.563	5	40	ABBB	in-vitro
Cn1cc([N+](=O)[O-])nc1N	98180705	AUYKVFDYGWBTGK-UHFFFAOYSA-N	142.118	-0.090	5	40	ABBB	
CCn1cc([N+](=O)[O-])c(C(N)=O)n1	38538257	RIWSEYIPUTZQBS-UHFFFAOYSA-N	184.155	-0.090	5	40	ABBB	in-vitro
C[N+](C)(C)c1cnc(=O)[nH]c1	39052	HGXUKBQTBZTHGF-UHFFFAOYSA-O	154.193	-0.033	5	40	ABBB	
CCn1ncc([N+](=O)[O-])c1C(N)=O	85432370	STXYOZCYYJSELT-UHFFFAOYSA-N	184.155	-0.090	5	40	ABBB	
CNC(=O)c1nn(C)cc1[N+](=O)[O-]	1067655	WNOFEMVQVBZAOZ-UHFFFAOYSA-N	184.155	-0.312	5	40	ABBB	
O=[N+]([O-])C1(CO)COC1	97463343	FWDARCPBVMBMLK-UHFFFAOYSA-N	133.103	-0.976	5	40	ABBB	
NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	12759549	LMTQBEKCIGHCCD-UHFFFAOYSA-N	197.150	-0.758	5	40	ABBB	
CC[C@H](CS(=O)(=O)O)[N+](=O)[O-]	3591821	UPJUQZAOTUYIMG-SCSAIBSYSA-N	183.185	-0.071	5	40	ABBB	in-vitro
C[N+]1(C)CC[N+](C)(C)B1[C-](O)O	263611618	XHMAESVWHMEZGK-UHFFFAOYSA-N	173.045	-0.585	5	40	ABBB	
O=[N+]([O-])C1[C@@H](O)CCC[C@@H]1O	1558732	MOARHLBZNDZIFZ-WHFBIAKZSA-N	161.157	-0.463	5	40	ABBB	
Cn1nc([N+](=O)[O-])cc1CO	72209474	OZBKYTILKPDFDU-UHFFFAOYSA-N	157.129	-0.179	5	40	ABBB	
NNc1ncnc(N)c1[N+](=O)[O-]	5674134	YAFVTQSCWYHZFK-UHFFFAOYSA-N	170.132	-0.747	5	40	ABBB	
Cn1cc([N+](=O)[O-])c(C(N)=O)n1	1066527	YVMXSLMGSDQURV-UHFFFAOYSA-N	170.128	-0.573	5	40	ABBB	in-vitro
Cn1ncc([N+](=O)[O-])c1N	4728771	YKUPMZUMSWRWPM-UHFFFAOYSA-N	142.118	-0.090	5	40	ABBB	in-vitro
CN1COC[C@@](C)([N+](=O)[O-])C1	31555140	NEACXASRQZHDPP-LURJTMIESA-N	160.173	-0.059	5	40	ABBB	
C[N+]1(C[C@@H]2CO2)CCOCC1	5029917	SUGHLLRRJLOOEB-MRVPVSSYSA-N	158.221	-0.138	5	40	ABBB	
Nc1nccc([N+](=O)[O-])n1	1574113	HXZSXRIRQLDGTG-UHFFFAOYSA-N	140.102	-0.033	5	40	ABBB	
C[C@@H]([N+](=O)[O-])[S@](=O)O	17377274	LBDVNDJTDSDJKE-REOHCLBHSA-N	139.132	-0.169	5	40	ABBB	
CO[C@@H]1CS(=O)(=O)C[C@@H]1[N+](=O)[O-]	5511846	YFSHXZUPNJKBDS-CRCLSJGQSA-N	195.196	-0.925	5	40	ABBB	
O=CN[C@H](C[N+](=O)[O-])C(F)(F)F	5620502	GDWHQWRXWTUHEE-GSVOUGTGSA-N	186.089	-0.060	5	40	ABBB	
Nc1nc[nH]c1[N+](=O)[O-]	12957904	DPBQZIHMIPYKHX-UHFFFAOYSA-N	128.091	-0.100	5	40	ABBB	
CNc1c([N+](=O)[O-])no[n+]1[O-]	4087617	QHSREHCQMGAUAP-UHFFFAOYSA-N	160.089	-0.742	5	40	ABBB	
Cc1cc[n+]([BH2-][N+](C)(C)C)cc1	195817846	RVROBMNHZAQQAO-UHFFFAOYSA-N	165.069	-0.164	5	40	ABBB	
O=[N+]([O-])c1nnc2nccnn12	95116281	PBGSHIFUTLNXSW-UHFFFAOYSA-N	166.100	-0.573	5	40	ABBB	
CCN1COC[C@@](CO)([N+](=O)[O-])C1	31925008	ZZSOLQXHSQAFET-SSDOTTSWSA-N	190.199	-0.696	5	40	ABBB	
CN/C(=C/[N+](=O)[O-])OC	2243795	ISROKTUWQRVBQO-ARJAWSKDSA-N	132.119	-0.072	5	40	ABBB	
Nc1nc(N)c([N+](=O)[O-])c(N)n1	4852051	IFMCROIMZMUGRF-UHFFFAOYSA-N	170.132	-0.869	5	40	ABBB	
O=[N+]([O-])c1nc(O)n[nH]1	5030609	QJTIRVUEVSKJTK-UHFFFAOYSA-N	130.063	-0.582	5	40	ABBB	in-vitro
Cn1ncc(N)c1[N+](=O)[O-]	32187731	DZHKSYCPRIBWJJ-UHFFFAOYSA-N	142.118	-0.090	5	40	ABBB	
C[N+]1(C)[C@H]2CC(O)C[C@H]1[C@H]1O[C@H]21	104091376	IHDIVGVZYGVCEG-RBXMUDONSA-N	170.232	-0.264	5	40	ABBB	in-vitro
C[N+](C)(C)CCOS(=O)(=O)O	1532781	WXCQAWGXWVRCGP-UHFFFAOYSA-O	184.237	-0.488	5	40	ABBB	biogenic,in-vitro
Cc1nc(N)c([N+](=O)[O-])c(=O)[nH]1	4085834	LAULKXZSWRUXNC-UHFFFAOYSA-N	170.128	-0.431	5	40	ABBB	
COC(=O)CC[N+]1([O-])CC1	1639211	ZEIPIKINEYKTEB-UHFFFAOYSA-N	145.158	-0.122	5	40	ABBB	
Cn1c(O)ncc([N+](=O)[O-])c1=O	1559180	CZQHCPSSXFKBNP-UHFFFAOYSA-N	171.112	-0.606	5	40	ABBB	
O=[N+]([O-])c1cnc2ncnn2c1O	12428244	STOLDETZCCYJLW-UHFFFAOYSA-N	181.111	-0.262	5	40	ABBB	
Cc1nc[nH]c(=O)c1[N+](=O)[O-]	32151817	JCOKXNKTIIGLPD-UHFFFAOYSA-N	155.113	-0.013	5	40	ABBB	
Cn1nc([N+](=O)[O-])nc1NN=O	95116210	ODHSHVLJRPLHCV-UHFFFAOYSA-N	172.104	-0.183	5	40	ABBB	
O=[N+]([O-])[C@@H]1C[C@@H]1CO	36447738	NNWLZXCTNYEQIL-QWWZWVQMSA-N	117.104	-0.356	5	40	ABBB	
O=C(O)Cn1cccc([N+](=O)[O-])c1=O	139984	KHEKZKBMUAPJPS-UHFFFAOYSA-N	198.134	-0.159	5	40	ABBB	
C[C@@]1(O)CC[N+](C)(C)N1C=O	5359651	CKHDIASYGCCOMG-SSDOTTSWSA-N	159.209	-0.452	5	40	ABBB	
C[N+](C)([O-])CP(=O)(O)O	2124516	KVIRBRMUPUQCCD-UHFFFAOYSA-N	155.090	-0.304	5	40	ABBB	biogenic
NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O	12505694	GJHSBBQYGJSYLQ-UHFFFAOYSA-N	183.123	-0.618	5	40	ABBB	
Cc1nn(C)c(C(N)=O)c1[N+](=O)[O-]	1009117	JZIBSZJXVQEBEU-UHFFFAOYSA-N	184.155	-0.264	5	40	ABBB	
CNC(=O)c1c([N+](=O)[O-])cnn1C	72209594	LHJUXFFCCQBYRE-UHFFFAOYSA-N	184.155	-0.312	5	40	ABBB	
CN(C)c1nc([N+](=O)[O-])nn1C	34252787	MAUDAFDDSZCQJP-UHFFFAOYSA-N	171.160	-0.211	5	40	ABBB	
COC(=O)[N+]1(C(=O)OC)CN1	223636618	WKZOTTOXAWRVFO-UHFFFAOYSA-N	161.137	-0.188	5	40	ABBB	
Cn1cc([N+](=O)[O-])c(N)nc1=O	4085835	VKJIHXIKQZCKFZ-UHFFFAOYSA-N	170.128	-0.729	5	40	ABBB	
C[C@H](O)Cn1nc([N+](=O)[O-])nc1N	4687161	VFDFGKWTXPZWKM-VKHMYHEASA-N	187.159	-0.851	5	40	ABBB	
CC(C)[N@+]1(C)CC[C@H](O)N1C=O	254557645	LUPMXBRASRJIBQ-WPRPVWTQSA-N	173.236	-0.063	5	40	ABBB	
NCCNc1ccc([N+](=O)[O-])c(N)n1	65734230	JNXKEBLSRILDQM-UHFFFAOYSA-N	197.198	-0.057	5	40	ABBB	in-vitro
Cn1nc(CC(=O)O)cc1[N+](=O)[O-]	72209570	UNTZOJKUFPMZNU-UHFFFAOYSA-N	185.139	-0.045	5	40	ABBB	
Nc1c([N+](=O)[O-])nnc2ncnn12	4860291	WGXPJGBTFVCERK-UHFFFAOYSA-N	181.115	-0.990	5	40	ABBB	
O=[N+]([O-])C1([N+](=O)[O-])COC1	39409617	RCMVYXVTMMZYGK-UHFFFAOYSA-N	148.074	-0.734	5	40	ABBB	
COC(=O)c1n[nH]nc1[N+](=O)[O-]	1075965	VZOGVAWHFFOYNM-UHFFFAOYSA-N	172.100	-0.501	5	40	ABBB	
C[N+]1(CCO)CCS(=O)CC1	5535320	ZYICLAQNCSVMLK-UHFFFAOYSA-N	178.277	-0.812	5	40	ABBB	
CC(CCN)(CCN)[N+](=O)[O-]	1706479	MYHHVTMSAVBSOB-UHFFFAOYSA-N	161.205	-0.281	5	40	ABBB	in-vitro
C[N+]1(C)[C@H]2C[C@H](O)C[C@H]1[C@H]1O[C@@H]21	263598811	IHDIVGVZYGVCEG-VCQFTWBDSA-N	170.232	-0.264	5	40	ABBB	in-vitro
N[C@H](CCCC[N+](=O)[O-])C(=O)O	40162386	LMSAJWJHQUHKSX-RXMQYKEDSA-N	176.172	-0.155	5	40	ABBB	
CNC(=O)c1c([N+](=O)[O-])ncn1C	13215983	GLXVFUGWBOEJPQ-UHFFFAOYSA-N	184.155	-0.312	5	40	ABBB	in-vitro
CC(=O)Nc1[nH]nc(N)c1[N+](=O)[O-]	4127543	UROXEOXFEFQSEQ-UHFFFAOYSA-N	185.143	-0.142	5	40	ABBB	
O=[N+]([O-])[C@@H]1CCNC1	203829641	FQHIXMCEMROCGY-SCSAIBSYSA-N	116.120	-0.375	5	40	ABBB	
Nc1nc(=O)[nH]cc1[N+](=O)[O-]	5438592	SPDBZGFVYQCVIU-UHFFFAOYSA-N	156.101	-0.740	5	40	ABBB	
C[N+](C)(C)C[C@H](N)CC(=O)O	22048199	DAWBGYHPBBDHMQ-ZCFIWIBFSA-O	161.225	-0.505	5	40	ABBB	investigational
O=[N+]([O-])[C@H]1CCNC1	203829649	FQHIXMCEMROCGY-BYPYZUCNSA-N	116.120	-0.375	5	40	ABBB	
O=c1[nH]cc(O)cc1[N+](=O)[O-]	8649837	XSEDEBLCDJQQJJ-UHFFFAOYSA-N	156.097	-0.011	5	40	ABBB	
CC(=O)Nc1nonc1[N+](=O)[O-]	5378293	SXUQUWWNZIKXBO-UHFFFAOYSA-N	172.100	-0.064	5	40	ABBB	
CNC(N)=C[N+](=O)[O-]	1857793373	NESLOYMMIUOLMU-UHFFFAOYSA-N	117.108	-0.760	5	40	ABBB	
NC(=O)c1cc([N+](=O)[O-])cnc1N	19932177	GVWZGRFMWFHVGM-UHFFFAOYSA-N	182.139	-0.329	5	40	ABBB	
Nc1nc([N+](=O)[O-])n[nH]1	16977398	CEYAABCXMIRIGC-UHFFFAOYSA-N	129.079	-0.705	5	40	ABBB	
Cn1nnc(CC[N+](C)(C)C)n1	500601	PXVAZGIIJFOOEH-UHFFFAOYSA-N	170.240	-0.541	5	40	ABBB	
Nc1c([N+](=O)[O-])ccc[n+]1[O-]	39059671	KLRNAOQFJWBSJN-UHFFFAOYSA-N	155.113	-0.190	5	40	ABBB	
COC(=O)Cc1nc([N+](=O)[O-])n[nH]1	5510987	QSABCGMPHPACNS-UHFFFAOYSA-N	186.127	-0.572	5	40	ABBB	
CN(C)C(=O)Cn1ccc([N+](=O)[O-])n1	70227012	JBALIRGGEVHFRM-UHFFFAOYSA-N	198.182	-0.121	5	40	ABBB	
CC(CCN)([N+](=O)[O-])[N+](=O)[O-]	19319641	DWSJKMRLOYENPW-UHFFFAOYSA-N	163.133	-0.395	5	40	ABBB	
Cn1nc([N+](=O)[O-])cc1CN	72209635	WOLRHVSTTPUWHW-UHFFFAOYSA-N	156.145	-0.213	5	40	ABBB	
O=c1[nH]c(=O)c2cc([N+](=O)[O-])cn2[nH]1	71790988	ZJWFMXGAGGWOGF-UHFFFAOYSA-N	196.122	-0.776	5	40	ABBB	
O=[N+]([O-])C[S@@](=O)O	103852243	UABSVKGIGVCONJ-UHFFFAOYSA-N	125.105	-0.558	5	40	ABBB	
Cn1nc([N+](=O)[O-])nc1-n1ccnc1	1080157	GETKJCVWQCHBRL-UHFFFAOYSA-N	194.154	-0.091	5	40	ABBB	
COC(=O)c1cc([N+](=O)[O-])c(N)nn1	82048361	CPCYQANZDBSURK-UHFFFAOYSA-N	198.138	-0.246	5	40	ABBB	
Cn1cnc([N+](=O)[O-])c1CO	26474949	MDAUBBLPTALUKY-UHFFFAOYSA-N	157.129	-0.179	5	40	ABBB	
C[N+](C)(C)CC(O)C[N+](C)(C)C	1987	SEOAESNTVSJYIF-UHFFFAOYSA-N	176.304	-0.240	5	40	ABBB	in-man
Cn1nc([N+](=O)[O-])cc1N	104649413	LUEQETBVSBNKFY-UHFFFAOYSA-N	142.118	-0.090	5	40	ABBB	in-vitro
O=[N+]([O-])c1cnn([N+](=O)[O-])c1	4291308	RSXKSXDNAQPZQD-UHFFFAOYSA-N	158.073	-0.169	5	40	ABBB	
C[C@H](O)C[N+](=O)[O-]	2042096	PFNCKQIYLAVYJF-VKHMYHEASA-N	105.093	-0.356	5	40	ABBB	in-vitro
O=[N+]([O-])CC1(C[N+](=O)[O-])COC1	138469541	LTTOTAXINVWIBK-UHFFFAOYSA-N	176.128	-0.444	5	40	ABBB	
Cn1ncc([N+](=O)[O-])c1CC(=O)O	1512444	PZTSNNQYAWTFND-UHFFFAOYSA-N	185.139	-0.045	5	40	ABBB	
NCCC1([N+](=O)[O-])CCNCC1	1857371	UBSKSXOMDOYLQM-UHFFFAOYSA-N	173.216	-0.266	5	40	ABBB	in-vitro
C[N+]12CCN(CC1)CC2	1606292	JNSNZDTWADRPFR-UHFFFAOYSA-N	127.211	-0.238	5	40	ABBB	
C[C@H](O)Cn1cnc([N+](=O)[O-])n1	4727761	XODOKJWNDVFKPH-BYPYZUCNSA-N	172.144	-0.433	5	40	ABBB	
CC(=O)N1[C@@H](O)CC[N+]1(C)C	59366690	AORUTVLIXQDRDG-ZETCQYMHSA-N	159.209	-0.452	5	40	ABBB	
O=C1N=c2ccc([N+](=O)[O-])nc2=N1	39029724	DKBSVXCDSDVKID-UHFFFAOYSA-N	178.107	-0.637	5	40	ABBB	
Cc1cc(=O)n2nc([N+](=O)[O-])nc2[nH]1	100880320	DYZDHVCZUXJGAG-UHFFFAOYSA-N	195.138	-0.366	5	40	ABBB	
Cn1cc([N+](=O)[O-])c(CC(=O)O)n1	3035233	FKMNUMSEVMZIIL-UHFFFAOYSA-N	185.139	-0.045	5	40	ABBB	
O=[N+]([O-])C[C@@H](O)C(F)F	34075454	JQGMXHIVZNVQQF-UWTATZPHSA-N	141.073	-0.111	5	40	ABBB	in-vitro
O=[N+]([O-])c1ccn(CCO)n1	8733288	ZNXOQNWQSFRXTL-UHFFFAOYSA-N	157.129	-0.216	5	40	ABBB	
O=C(O)[C@H]1C[C@H]1[N+](=O)[O-]	5157085	ZWYGYMZMGJZSMM-STHAYSLISA-N	131.087	-0.264	5	40	ABBB	in-vitro
CN(N=O)c1nc([N+](=O)[O-])n[nH]1	95116193	TXEXSCZMUZAFIP-UHFFFAOYSA-N	172.104	-0.170	5	40	ABBB	
Cc1c([N+](=O)[O-])cnn1CC(N)=O	72209477	NSMRNXKCSHRBSA-UHFFFAOYSA-N	184.155	-0.415	5	40	ABBB	
Nc1nonc1[N+](=O)[O-]	4087601	HAFURWXQHTZNTN-UHFFFAOYSA-N	130.063	-0.440	5	40	ABBB	
O=[N+]([O-])c1ncn(CO)n1	38804976	JGWYMCRHBWYCOS-UHFFFAOYSA-N	144.090	-0.864	5	40	ABBB	
C[C@@]1(CO)Cn2cc([N+](=O)[O-])nc2O1	15442559	UYEAVRLFLZMBSY-ZETCQYMHSA-N	199.166	-0.065	5	40	ABBB	
C[C@H](O)C[N+](C)(C)[O-]	96031460	HZQYZKUFLIUMEL-YFKPBYRVSA-N	119.164	-0.059	5	40	ABBB	
Cn1nnnc1CC[N+](C)(C)C	2342315	UUODCMNUIADKPB-UHFFFAOYSA-N	170.240	-0.541	5	40	ABBB	
Cn1nnnc1C[N+](C)(C)C	499882	SEJQHKQVQYJGGL-UHFFFAOYSA-N	156.213	-0.584	5	40	ABBB	
CO[C@H]1CS(=O)(=O)C[C@@H]1[N+](=O)[O-]	5511884	YFSHXZUPNJKBDS-WHFBIAKZSA-N	195.196	-0.925	5	40	ABBB	
O=[N+]([O-])[C@@H]1[C@@H](O)CCC[C@H]1O	256170003	MOARHLBZNDZIFZ-FMCRUOTFSA-N	161.157	-0.463	5	40	ABBB	
OCC[N+]12CCCN1CCC2	1623843	ZUAZNXSTBFZGIS-UHFFFAOYSA-N	157.237	-0.180	5	40	ABBB	
COc1nc([N+](=O)[O-])nn1C	4720950	PQFWYNASULZOPE-UHFFFAOYSA-N	158.117	-0.268	5	40	ABBB	
CC[N+]12CN3CN(CN(C3)C1)C2	19319451	AXFGHOCOWXFFAA-UHFFFAOYSA-N	169.252	-0.485	5	40	ABBB	
Nc1cc([N+](=O)[O-])[nH]n1	104597543	MGIIQXTUOQUWTE-UHFFFAOYSA-N	128.091	-0.100	5	40	ABBB	
Nc1cc([N+](=O)[O-])nnc1N	218918817	HNBPCCDQWPBEJY-UHFFFAOYSA-N	155.117	-0.451	5	40	ABBB	
COC(=O)c1nc([N+](=O)[O-])n(C)n1	968716	KMNAASOEYVKMMW-UHFFFAOYSA-N	186.127	-0.490	5	40	ABBB	
C[N+]1([O-])CC[N+](C)([O-])CC1	1586863	HFCLYBLYKLOTHT-UHFFFAOYSA-N	146.190	-0.111	5	40	ABBB	
Cn1cnc([N+](=O)[O-])c1N	4587441	GJVMTMXQJDQJSS-UHFFFAOYSA-N	142.118	-0.090	5	40	ABBB	
Nc1ncnc(NCCO)c1[N+](=O)[O-]	3912489	SLBNQJDYZTXHQD-UHFFFAOYSA-N	199.170	-0.629	5	40	ABBB	
Cn1cc(C(=O)O)cc([N+](=O)[O-])c1=O	26422738	BBJSGJKJMAIEAJ-UHFFFAOYSA-N	198.134	-0.008	5	40	ABBB	
C[N+]12CC[N+](C)(CC1)CC2	1706737	SESBXFAPJKDPLA-UHFFFAOYSA-N	142.246	-0.093	5	40	ABBB	
CNC(=O)n1ccc([N+](=O)[O-])n1	2743297	QCTAYIMLJUAPAX-UHFFFAOYSA-N	170.128	-0.021	5	40	ABBB	
Cn1nc(C(=O)O)nc1[N+](=O)[O-]	59922951	IQASREAIDLOCQH-UHFFFAOYSA-N	172.100	-0.579	5	40	ABBB	
CC(=O)N1[C@H](O)CC[N+]1(C)C	59366689	AORUTVLIXQDRDG-SSDOTTSWSA-N	159.209	-0.452	5	40	ABBB	
O=C1CC[C@H]([N+](=O)[O-])C2(COC2)N1	253388063	AZLDAEUQHXTOSB-YFKPBYRVSA-N	186.167	-0.689	5	40	ABBB	in-vitro
O=C(O)Cc1nonc1[N+](=O)[O-]	1063084	FPOFATNKKIPHTR-UHFFFAOYSA-N	173.084	-0.395	5	40	ABBB	
O=C(O)c1c[nH]cc([N+](=O)[O-])c1=O	71254820	BFJYTSVHYIMQLP-UHFFFAOYSA-N	184.107	-0.019	5	40	ABBB	
Nn1cc([N+](=O)[O-])cn1	4294111	HHLMDIFYWRJFAD-UHFFFAOYSA-N	128.091	-0.495	5	40	ABBB	
Cn1cnc([N+](=O)[O-])c1NCCO	4322632	FUGSQQDWPLRWSQ-UHFFFAOYSA-N	186.171	-0.268	5	40	ABBB	
C[N+]1(C)CCNCC1	5071679	CKQFWQCSMNUSRI-UHFFFAOYSA-N	115.200	-0.334	5	40	ABBB	in-vitro
C[N+]1(C)[C@H]2C[C@H]3C[C@@H]1[C@H](O3)[C@H]2O	1570007597	DXIKCPKBYKKXPY-PQFOHKHZSA-N	170.232	-0.264	5	40	ABBB	
COc1ncc([N+](=O)[O-])c(NN)n1	5275115	GCJZIZNABKPEAE-UHFFFAOYSA-N	185.143	-0.321	5	40	ABBB	
Cn1nc(N)cc1[N+](=O)[O-]	1548918945	UQQCRCIOMGGFJV-UHFFFAOYSA-N	142.118	-0.090	5	40	ABBB	
C[N+]1(C)CC[C@H](O)N1C=O	5360182	QYPKDANEJKAMGP-LURJTMIESA-N	145.182	-0.842	5	40	ABBB	
O=[N+]([O-])c1cn(CCO)cn1	3944768	NIHGAGCAEFVICG-UHFFFAOYSA-N	157.129	-0.216	5	40	ABBB	in-vitro
C[C@@H](O)C[N+](C)(C)[O-]	96031461	HZQYZKUFLIUMEL-RXMQYKEDSA-N	119.164	-0.059	5	40	ABBB	
CN(C)c1nc(N)c([N+](=O)[O-])c(=O)[nH]1	4085880	UYGWQDGZISEUJO-UHFFFAOYSA-N	199.170	-0.674	5	40	ABBB	
NCC[N+](=O)[O-]	34518782	VZUKEVFHSPMCSH-UHFFFAOYSA-N	90.082	-0.778	5	40	ABBB	
C[N+]1(C)CC[C@@H](O)N1C=O	5360186	QYPKDANEJKAMGP-ZCFIWIBFSA-N	145.182	-0.842	5	40	ABBB	
COC(=O)n1cnc([N+](=O)[O-])c1N	4475967	HAZDOGMJUSIYGR-UHFFFAOYSA-N	186.127	-0.012	5	40	ABBB	
C[C@@H](O)Cn1cnc([N+](=O)[O-])n1	4727762	XODOKJWNDVFKPH-SCSAIBSYSA-N	172.144	-0.433	5	40	ABBB	
CC(CO)([N+](=O)[O-])[N+](=O)[O-]	19318855	IPLRZPREFHIGIB-UHFFFAOYSA-N	150.090	-0.752	5	40	ABBB	
C[N+](C)(C)CCOC(=O)CCCN	1677398	OOIACSCGKZSYOU-UHFFFAOYSA-N	189.279	-0.025	5	40	ABBB	
CC(C)[N@+]1(C)CC[C@@H](O)N1C=O	254557643	LUPMXBRASRJIBQ-SCZZXKLOSA-N	173.236	-0.063	5	40	ABBB	
C[C@]1(O)CC[N+](C)(C)N1C=O	5356591	CKHDIASYGCCOMG-ZETCQYMHSA-N	159.209	-0.452	5	40	ABBB	
Cn1ccc(N)c([N+](=O)[O-])c1=O	252495758	OZGGPAJTCWKCJQ-UHFFFAOYSA-N	169.140	-0.124	5	40	ABBB	
C[N+]1(C)[C@@H]2COC[C@H]1CNC(=O)C2	71785290	MWXBJWSJMFJMHQ-JGVFFNPUSA-O	185.247	-0.650	5	40	ABBB	
O=C1CC=c2c([N+](=O)[O-])cccc2=N1	85346383	UXLTWFSFLFTYER-UHFFFAOYSA-N	190.158	-0.075	5	40	ABBB	
Cn1nncc1[N+](=O)[O-]	95828758	BWGRZGKYADPMCI-UHFFFAOYSA-N	128.091	-0.277	5	40	ABBB	
C[C@@](O)(CC(=O)O)C[N+](C)(C)C	26892354	PVSAPJKDKFIKHM-MRVPVSSYSA-O	176.236	-0.082	5	40	ABBB	
O=[N+]([O-])C[C@H](O)C(F)F	34075453	JQGMXHIVZNVQQF-REOHCLBHSA-N	141.073	-0.111	5	40	ABBB	in-vitro
O=C1CN=c2cc([N+](=O)[O-])ccc2=N1	85346306	FJIZTXWVMLLGBA-UHFFFAOYSA-N	191.146	-0.626	5	40	ABBB	
Cn1cnc([N+](=O)[O-])c1C(N)=O	1082197	QUARTNVPDGQVMK-UHFFFAOYSA-N	170.128	-0.573	5	40	ABBB	
N=C(NN)NCc1ccc([N+](=O)[O-])o1	2512230	SBQVYORFGZQGMX-UHFFFAOYSA-N	199.170	-0.325	5	40	ABBB	
O=[N+]([O-])C1CNC1	167397272	HUDBUXGVPZKSKH-UHFFFAOYSA-N	102.093	-0.765	5	40	ABBB	
C[C@H](C(=N)N)[N+](=O)[O-]	26898079	MNVPOGIBKAOHJJ-UWTATZPHSA-N	117.108	-0.412	5	40	ABBB	
O=C(O)c1n[nH]c([N+](=O)[O-])n1	4476433	GCVZEDOKZHWNLP-UHFFFAOYSA-N	158.073	-0.589	5	40	ABBB	
Nc1cc([N+](=O)[O-])c[nH]c1=O	21981962	WUMXEXOQVKMRQX-UHFFFAOYSA-N	155.113	-0.135	5	40	ABBB	
Nc1nc(N)n2ncnc2c1[N+](=O)[O-]	4475776	LQULWANMBVPWKR-UHFFFAOYSA-N	195.142	-0.803	5	40	ABBB	
COc1nc[nH]c(=O)c1[N+](=O)[O-]	25492779	QETRKUULLHQXBK-UHFFFAOYSA-N	171.112	-0.313	5	40	ABBB	
O=[N+]([O-])[C@@H]1C[C@H]1CO	208379763	NNWLZXCTNYEQIL-IUYQGCFVSA-N	117.104	-0.356	5	40	ABBB	
O=[N+]([O-])c1n[nH]c(-n2ccnc2)n1	95116199	IMJAFHQMMAKOJQ-UHFFFAOYSA-N	180.127	-0.101	5	40	ABBB	
Cn1c([N+](=O)[O-])cnc1N	33495555	LPGIEKDKSFQYSR-UHFFFAOYSA-N	142.118	-0.090	5	40	ABBB	
C[N+](C)(C)CCP(=O)(O)O	1530430	VCANKBLUHKRQLL-UHFFFAOYSA-O	168.153	-0.130	5	40	ABBB	in-vitro
O=[N+]([O-])C1[C@H](O)CCC[C@H]1O	5438022	MOARHLBZNDZIFZ-RFZPGFLSSA-N	161.157	-0.463	5	40	ABBB	
O=[N+]([O-])c1ccn(CO)n1	2552533	GCAYWNIVYPFESS-UHFFFAOYSA-N	143.102	-0.259	5	40	ABBB	
C[N+]1(C[C@H]2CO2)CCOCC1	1709059	SUGHLLRRJLOOEB-QMMMGPOBSA-N	158.221	-0.138	5	40	ABBB	
O=c1ccc([N+](=O)[O-])cn1CCO	32788857	GPJOPFUPJAWPCQ-UHFFFAOYSA-N	184.151	-0.251	5	40	ABBB	
COC(=O)Cn1ccc([N+](=O)[O-])n1	12395849	LASFSLMTFIFXAE-UHFFFAOYSA-N	185.139	-0.036	5	40	ABBB	
Nc1cn[nH]c1[N+](=O)[O-]	34616958	XPZVDIIFPQUKAP-UHFFFAOYSA-N	128.091	-0.100	5	40	ABBB	
O=[N+]([O-])c1ccnn1CCO	38665378	JWALXPWEBZKBBE-UHFFFAOYSA-N	157.129	-0.216	5	40	ABBB	
C[C@@H](O)Cn1nc([N+](=O)[O-])nc1N	4623492	VFDFGKWTXPZWKM-GSVOUGTGSA-N	187.159	-0.851	5	40	ABBB	
O=[N+]([O-])[C@H]1C[C@H]1CO	208379798	NNWLZXCTNYEQIL-IMJSIDKUSA-N	117.104	-0.356	5	40	ABBB	
C[N+](C)(CCO)CCO	4284399	FIVJMCNNMIGYRO-UHFFFAOYSA-N	134.199	-0.953	5	40	ABBB	in-vitro
O=[N+]([O-])[C@H]1C[C@@H]1CO	38250874	NNWLZXCTNYEQIL-DMTCNVIQSA-N	117.104	-0.356	5	40	ABBB	
O=[N+]([O-])[C@H]1CCS(=O)(=O)C1	5290339	HLMNMEQKKAHRJY-BYPYZUCNSA-N	165.170	-0.550	5	40	ABBB	
Cn1ncnc1[N+](=O)[O-]	2760423	CISUDTSLOVHDEZ-UHFFFAOYSA-N	128.091	-0.277	5	40	ABBB	
O=[N+]([O-])Cn1nnc(C(F)(F)F)n1	5369174	NZJAUZAVXNCWKR-UHFFFAOYSA-N	197.076	-0.074	5	40	ABBB	
C[N+]1(C)[C@@H]2CNC(=O)C[C@@H]1COC2	101042355	MWXBJWSJMFJMHQ-HTQZYQBOSA-O	185.247	-0.650	5	40	ABBB	
NC(=O)c1c[n+]([O-])ccc1[N+](=O)[O-]	1606795	NWEYRJFASYQWNI-UHFFFAOYSA-N	183.123	-0.673	5	40	ABBB	
O=[N+]([O-])c1cnn(-c2nnn[nH]2)c1	4558147	GXYHAXRKDBDRRF-UHFFFAOYSA-N	181.115	-0.706	5	40	ABBB	
C[C@@H](C(=N)N)[N+](=O)[O-]	26898076	MNVPOGIBKAOHJJ-REOHCLBHSA-N	117.108	-0.412	5	40	ABBB	
O=C(O)Cn1ccnc1[N+](=O)[O-]	1567259	TYDGDUVFDYKZMY-UHFFFAOYSA-N	171.112	-0.124	5	40	ABBB	in-vitro
Cn1cnc([N+](=O)[O-])n1	2755199	DOEWLMFVRWMCGM-UHFFFAOYSA-N	128.091	-0.277	5	40	ABBB	in-vitro
O=C(O)c1cc([N+](=O)[O-])cc[n+]1[O-]	1691452	KKYQRQZYRFVFTG-UHFFFAOYSA-N	184.107	-0.074	5	40	ABBB	
CC[N+](C)(C)N	1670602	WBWIUGQOOVEZOT-UHFFFAOYSA-N	89.162	-0.044	5	40	ABBB	
O=C(O)Cn1cc([N+](=O)[O-])ccc1=O	19401911	RGEADBRPQRBFBL-UHFFFAOYSA-N	198.134	-0.159	5	40	ABBB	in-vitro
O=[N+]([O-])C[C@@H]1CO1	39199625	AEPUGFWEAQZTIB-GSVOUGTGSA-N	103.077	-0.338	5	40	ABBB	
O=[N+]([O-])[C@@H]1CCS(=O)(=O)C1	5290325	HLMNMEQKKAHRJY-SCSAIBSYSA-N	165.170	-0.550	5	40	ABBB	
NC(=O)c1nc([N+](=O)[O-])cnc1O	77011398	OSFLEHUTGSKIPE-UHFFFAOYSA-N	184.111	-0.811	5	40	ABBB	
Cn1ncc([N+](=O)[O-])c(O)c1=O	96517739	GDKWHJVBRXYZMF-UHFFFAOYSA-N	171.112	-0.606	5	40	ABBB	
Nc1c[n+]([O-])ccc1[N+](=O)[O-]	36466277	BARFMZXKQYNOQT-UHFFFAOYSA-N	155.113	-0.190	5	40	ABBB	
NCCn1ccnc1[N+](=O)[O-]	1580428	WGPFDZRLUUOFTI-UHFFFAOYSA-N	156.145	-0.250	5	40	ABBB	
NC(=O)Cn1cnc([N+](=O)[O-])c1	1094007	WGAIQWLGIACFPR-UHFFFAOYSA-N	170.128	-0.723	5	40	ABBB	
C[C@H]([N+](=O)[O-])[S@](=O)O	17377272	LBDVNDJTDSDJKE-UWTATZPHSA-N	139.132	-0.169	5	40	ABBB	
Cn1cc([N+](=O)[O-])cnc1=O	1607267	KYADSVHQTVFLDG-UHFFFAOYSA-N	155.113	-0.312	5	40	ABBB	
O=C(O)[C@@H]1C[C@@H]1[N+](=O)[O-]	5157293	ZWYGYMZMGJZSMM-GBXIJSLDSA-N	131.087	-0.264	5	40	ABBB	in-vitro
Cc1nn(C)c(NN)c1[N+](=O)[O-]	34633359	CAORIXXJMUEMIO-UHFFFAOYSA-N	171.160	-0.078	5	40	ABBB	
COC(=O)COCCC[N+](=O)[O-]	1857793856	KAWIPMADYNFEBP-UHFFFAOYSA-N	177.156	-0.157	5	40	ABBB	
COc1ncnc(NN)c1[N+](=O)[O-]	16194436	GUGYFWSUFJHVLF-UHFFFAOYSA-N	185.143	-0.321	5	40	ABBB	
CC(C)([C@H](N)C(=O)O)[N+](=O)[O-]	39058285	SVQLBNMIYIBLOU-GSVOUGTGSA-N	162.145	-0.546	5	40	ABBB	in-vitro
CNc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	5707200	IJFNNWYKLVJVLY-UHFFFAOYSA-N	186.127	-0.987	5	40	ABBB	
O=[N+]([O-])c1ncn(CCO)n1	37730043	ZRPSEMIBVBQGIF-UHFFFAOYSA-N	158.117	-0.821	5	40	ABBB	in-vitro