smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=[N+]([O-])c1cc(O)c(Cl)cc1F	167398	NAWVMCKMQMJQMF-UHFFFAOYSA-N	191.545	2.093	5	50	AEBA	
O=[N+]([O-])c1cc2ccccc2o1	1688683	RSZMTXPFGDUHSE-UHFFFAOYSA-N	163.132	2.341	5	50	AEBA	
CCNc1ccc(OC)cc1[N+](=O)[O-]	4015016	HXGAXPKXJXONSA-UHFFFAOYSA-N	196.206	2.035	5	50	AEBA	in-vitro
O=[N+]([O-])c1cc(F)cc(F)c1F	21982378	MXOQPGDHOAMPJW-UHFFFAOYSA-N	177.081	2.012	5	50	AEBA	in-vitro
Cc1ccc2[nH]ccc2c1[N+](=O)[O-]	21299727	YEWCWEGSXBIVEC-UHFFFAOYSA-N	176.175	2.385	5	50	AEBA	
O=[N+]([O-])c1ccc2cc(O)ccc2c1	71256657	QDQYVGHTDXWLCN-UHFFFAOYSA-N	189.170	2.454	5	50	AEBA	
O=[N+]([O-])c1ccc2c(c1)NCCS2	36379504	VZTWUNMNDBPKKX-UHFFFAOYSA-N	196.231	2.112	5	50	AEBA	
Cc1ccc2cnccc2c1[N+](=O)[O-]	32501164	YYPKZGWCMPOFRV-UHFFFAOYSA-N	188.186	2.451	5	50	AEBA	in-vitro
CCOc1cc([N+](=O)[O-])ccc1F	85223719	NGMAAUCSJUUCRU-UHFFFAOYSA-N	185.154	2.133	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc2[nH]nc(Cl)c2c1	4878042	UOWPRWCAMGTPHI-UHFFFAOYSA-N	197.581	2.125	5	50	AEBA	in-vitro
CCSc1ccc([N+](=O)[O-])cn1	34479876	MOPUTNNENYPAMV-UHFFFAOYSA-N	184.220	2.102	5	50	AEBA	
O=[N+]([O-])c1c[nH]c2ccc(Cl)nc12	95920062	ZVKDTXRWTRDHMC-UHFFFAOYSA-N	197.581	2.125	5	50	AEBA	in-vitro
CC[N@+]1(C)CC[C@H]2CCC[C@H]21	1857797673	LSZGMSMELVUHRX-GMTAPVOTSA-N	154.277	2.025	5	50	AEBA	
[O-][n+]1nc2ccccc2c2ccccc21	156181	JFIBBBQSFGWTPH-UHFFFAOYSA-N	196.209	2.021	5	50	AEBA	
O=[N+]([O-])c1cc(Cl)nc2[nH]ccc12	42689484	OOHNIAVMKNEEGR-UHFFFAOYSA-N	197.581	2.125	5	50	AEBA	in-vitro
COc1ccc(Cl)c([N+](=O)[O-])c1	1679197	HISHUMDTGXICEZ-UHFFFAOYSA-N	187.582	2.257	5	50	AEBA	in-vitro
CCc1cccc([N+](=O)[O-])c1	5688603	RXAKLPGKSXJZEF-UHFFFAOYSA-N	151.165	2.157	5	50	AEBA	
O=[N+]([O-])c1cc(F)ccc1NC1CC1	16159749	IFVGZPQVABAJNL-UHFFFAOYSA-N	196.181	2.308	5	50	AEBA	in-vitro
COc1ccc([N+](=O)[O-])c(Cl)c1	21303481	QTIDRIQSPAELJC-UHFFFAOYSA-N	187.582	2.257	5	50	AEBA	in-vitro
C[N+]1(c2ccccc2)CCCC1	147120161	VYYQZFKIHAYTTH-UHFFFAOYSA-N	162.256	2.418	5	50	AEBA	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C[C@@H]3[C@@H]2[C@H]31	101037238	DXHMVSFAENACAT-ZDCRXTMVSA-N	187.198	2.425	5	50	AEBA	
Cc1cc([N+](=O)[O-])c(O)cc1Cl	34089383	SETJTGJUNMPFCU-UHFFFAOYSA-N	187.582	2.262	5	50	AEBA	
O=[N+]([O-])c1cccc2c1CCC2	1708020	ZQABKMBXKCJTPM-UHFFFAOYSA-N	163.176	2.084	5	50	AEBA	
O=[N+]([O-])c1cc(F)ccc1Cl	1847554	DVXDJQKEEKXJBW-UHFFFAOYSA-N	175.546	2.387	5	50	AEBA	in-vitro
Cc1ccc([N+](=O)[O-])c2[nH]ccc12	21985704	LXZHCIXJJSWNNT-UHFFFAOYSA-N	176.175	2.385	5	50	AEBA	in-vitro
COc1cc(F)cc([N+](=O)[O-])c1C	44699948	NGWSPKQZQKGKPB-UHFFFAOYSA-N	185.154	2.051	5	50	AEBA	in-vitro
COc1ccc([N+](=O)[O-])c2[nH]ccc12	85221389	GATCVSUQBPRSTF-UHFFFAOYSA-N	192.174	2.085	5	50	AEBA	
CCCCNc1ncccc1[N+](=O)[O-]	20552129	ZNWRAFXHMOAZLG-UHFFFAOYSA-N	195.222	2.202	5	50	AEBA	
CCOc1cc(F)c(C)cc1[N+](=O)[O-]	113541541	QDFHNEHOVQXVBF-UHFFFAOYSA-N	199.181	2.441	5	50	AEBA	
Cc1cc(C=O)c(C)c([N+](=O)[O-])c1C	687760121	CDZPMZZCUJYFBJ-UHFFFAOYSA-N	193.202	2.333	5	50	AEBA	
CCNc1ccc(F)cc1[N+](=O)[O-]	4329320	UKKBDDJKKGVRQO-UHFFFAOYSA-N	184.170	2.166	5	50	AEBA	
O=[N+]([O-])c1ccc2scnc2c1	1603081	AEUQLELVLDMMKB-UHFFFAOYSA-N	180.188	2.205	5	50	AEBA	
O=[N+]([O-])c1ccc2ncsc2c1	1688653	QLUFBCVWKTWKBF-UHFFFAOYSA-N	180.188	2.205	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc(OC(F)F)cc1	4255174	SVGGBARCOQPYMV-UHFFFAOYSA-N	189.117	2.196	5	50	AEBA	in-vitro
O=C1CCCc2c1cccc2[N+](=O)[O-]	38434690	HXTWAFNCOABMPL-UHFFFAOYSA-N	191.186	2.114	5	50	AEBA	in-vitro
Cc1ccc(F)c([N+](=O)[O-])c1F	261494041	OLFRORVBDFRAJD-UHFFFAOYSA-N	173.118	2.181	5	50	AEBA	
CSc1ccc(F)cc1[N+](=O)[O-]	39270113	GFZWLZQOZGNKDW-UHFFFAOYSA-N	187.195	2.456	5	50	AEBA	
CCC(=O)c1cc([N+](=O)[O-])ccc1F	117688122	CKMWGGKQUYNJKI-UHFFFAOYSA-N	197.165	2.327	5	50	AEBA	
O=[N+]([O-])c1ccc(O)c2ccccc12	35193837	AUIRNGLMBHIITH-UHFFFAOYSA-N	189.170	2.454	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc(F)c(Cl)c1	586631	DPHCXXYPSYMICK-UHFFFAOYSA-N	175.546	2.387	5	50	AEBA	
CNc1cc([N+](=O)[O-])ccc1Cl	5353753	COAVDUBTKDZPLC-UHFFFAOYSA-N	186.598	2.290	5	50	AEBA	
O=[N+]([O-])c1ccc(Cl)cc1	3860273	CZGCEKJOLUNIFY-UHFFFAOYSA-N	157.556	2.248	5	50	AEBA	in-vitro
O=[N+]([O-])c1c(F)cc(F)cc1F	1706148	PWRFDGYYJWQIAB-UHFFFAOYSA-N	177.081	2.012	5	50	AEBA	in-vitro
CC[N@+]1(C)[C@@H](C)CCC[C@H]1C	606422341	QOURMEHOWGLDIZ-URLYPYJESA-N	156.293	2.414	5	50	AEBA	
Nc1ccc2c([N+](=O)[O-])cccc2c1	345511	PPYFMWXMDIAZSV-UHFFFAOYSA-N	188.186	2.330	5	50	AEBA	
Cc1ccc(Cl)c([N+](=O)[O-])c1N	5125120	DKUCSJAKXOTDCM-UHFFFAOYSA-N	186.598	2.139	5	50	AEBA	
O=[N+]([O-])c1ccccc1NC1CC1	21016754	NPKZHUINIYQERL-UHFFFAOYSA-N	178.191	2.169	5	50	AEBA	in-vitro
C=Cc1ccccc1[N+](=O)[O-]	22002802	VKVLTUQLNXVANB-UHFFFAOYSA-N	149.149	2.238	5	50	AEBA	in-vitro
CCOc1cc(OC)ccc1[N+](=O)[O-]	306128622	HGFTWYVQUALFRA-UHFFFAOYSA-N	197.190	2.002	5	50	AEBA	
O=c1cnc2cc3ccccc3cc2[nH]1	1857953	LYSSXWHDEUZXLJ-UHFFFAOYSA-N	196.209	2.076	5	50	AEBA	
Cc1cc(Cl)c(N)c([N+](=O)[O-])c1	4748106	UGXUJYWOKLTNET-UHFFFAOYSA-N	186.598	2.139	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc(OCC2CC2)cc1	12396685	KQXOLBPRSPJCBN-UHFFFAOYSA-N	193.202	2.384	5	50	AEBA	in-vitro
Cc1ccc(/C=C/[N+](=O)[O-])cc1	36425	JSPNBERPFLONRX-VOTSOKGWSA-N	163.176	2.242	5	50	AEBA	in-vitro
O=[N+]([O-])c1cccc2c1[C@@H]1[C@@H]3C[C@H]2[C@@H]31	101037236	OCVSRBZKAZIWQV-JBBGHMQTSA-N	187.198	2.425	5	50	AEBA	
O=[N+]([O-])c1cccc2cc(O)ccc12	345436	IXXTYPLQTKYLCC-UHFFFAOYSA-N	189.170	2.454	5	50	AEBA	
Cc1cc([N+](=O)[O-])c(Cl)cc1N	4528640	OKOSGBYZOWWAPH-UHFFFAOYSA-N	186.598	2.139	5	50	AEBA	in-vitro
CC(C)Oc1ccccc1[N+](=O)[O-]	3644745	YGURTOHWDPSBAA-UHFFFAOYSA-N	181.191	2.382	5	50	AEBA	in-vitro
Cc1ccc2cc([N+](=O)[O-])ccc2n1	91591	DXDPHHQJZWWAEH-UHFFFAOYSA-N	188.186	2.451	5	50	AEBA	in-vitro
Cc1ccc([N+](=O)[O-])cc1F	164747	WIQISTBTOQNVCE-UHFFFAOYSA-N	155.128	2.042	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc(F)c2ncccc12	5162091	WOSYAMNMWPZLGF-UHFFFAOYSA-N	192.149	2.282	5	50	AEBA	in-vitro
Cc1cc([N+](=O)[O-])cc(C)c1F	77028540	VJEBIHTVWPSCEM-UHFFFAOYSA-N	169.155	2.351	5	50	AEBA	
CC[C@@H]1CCC[N@+]1(C)CC	822722742	DAGXQCDJGBETKF-ZJUUUORDSA-N	142.266	2.025	5	50	AEBA	
CSc1cc(F)ccc1[N+](=O)[O-]	39270114	YRTOKUYTGQNTNG-UHFFFAOYSA-N	187.195	2.456	5	50	AEBA	
O=[N+]([O-])c1ccc(F)cc1Cl	1841425	KQOOFMWRLDRDAX-UHFFFAOYSA-N	175.546	2.387	5	50	AEBA	in-vitro
Cc1cc(C)c([N+](=O)[O-])c(C)c1C=O	42516	LUSSNQFGVCXRED-UHFFFAOYSA-N	193.202	2.333	5	50	AEBA	
O=[N+]([O-])c1cncc2ccccc12	15781225	ZSKGNSYZTHMDSD-UHFFFAOYSA-N	174.159	2.143	5	50	AEBA	
Cc1cc(F)cc(F)c1[N+](=O)[O-]	95931483	YEYOQSYKJFWRNK-UHFFFAOYSA-N	173.118	2.181	5	50	AEBA	in-vitro
CC(=O)c1ccc(C)cc1[N+](=O)[O-]	167241986	UPVDTZDVDGTUEP-UHFFFAOYSA-N	179.175	2.106	5	50	AEBA	in-vitro
O=[N+]([O-])c1ncc(Cl)cc1Cl	26459716	ACHMQFKFXAKDAH-UHFFFAOYSA-N	192.989	2.297	5	50	AEBA	
CCOc1c(F)cccc1[N+](=O)[O-]	67800613	FWCUZYLXWCEXQT-UHFFFAOYSA-N	185.154	2.133	5	50	AEBA	
CC(=O)c1cccc([N+](=O)[O-])c1C	39256602	HPQVXLJSJCOYFE-UHFFFAOYSA-N	179.175	2.106	5	50	AEBA	in-vitro
CNc1c(Cl)cccc1[N+](=O)[O-]	39269364	DWQXJEHOYNGRCV-UHFFFAOYSA-N	186.598	2.290	5	50	AEBA	in-vitro
O=[N+]([O-])C12CC3CC(CC(C3)C1)C2	124723	HONLSNLUVRQMEK-UHFFFAOYSA-N	181.235	2.232	5	50	AEBA	in-vitro
Cc1c([N+](=O)[O-])ccc2cccnc12	1713893	BWCVXKXBFAYIEM-UHFFFAOYSA-N	188.186	2.451	5	50	AEBA	
O=[N+]([O-])c1cc(Cl)cc(Cl)n1	82048299	RHPOXXQUAPLUIU-UHFFFAOYSA-N	192.989	2.297	5	50	AEBA	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C[C@H]3[C@@H]1[C@H]23	216332434	DXHMVSFAENACAT-LNFKQOIKSA-N	187.198	2.425	5	50	AEBA	
CC(C)c1ccc([N+](=O)[O-])cn1	39104145	NHGFJXPCQGXISU-UHFFFAOYSA-N	166.180	2.113	5	50	AEBA	
COc1ccc([N+](=O)[O-])c2cc[nH]c12	89204715	LLEMQUFWHPCBIT-UHFFFAOYSA-N	192.174	2.085	5	50	AEBA	
CCc1cc([N+](=O)[O-])cc(CC)c1N	6995780	HTGVSRAUFWFPJI-UHFFFAOYSA-N	194.234	2.302	5	50	AEBA	
O=[N+]([O-])c1cccc(-c2cnco2)c1	106640	ALXACHUFQSLYBV-UHFFFAOYSA-N	190.158	2.250	5	50	AEBA	in-vitro
CC(C)c1ccc(N)c([N+](=O)[O-])c1	4256106	SBXKBHDWJBOCIG-UHFFFAOYSA-N	180.207	2.300	5	50	AEBA	in-vitro
Nc1ccc([N+](=O)[O-])c2ccccc12	4284753	BVPJPRYNQHAOPQ-UHFFFAOYSA-N	188.186	2.330	5	50	AEBA	in-vitro
CCOc1c(C)cccc1[N+](=O)[O-]	40571697	BZFRQLCKEVHCTC-UHFFFAOYSA-N	181.191	2.302	5	50	AEBA	in-vitro
O=[N+]([O-])c1c(F)cccc1Cl	16158176	GOIUPLBHNRTTIO-UHFFFAOYSA-N	175.546	2.387	5	50	AEBA	in-vitro
Cc1cn(C)c2cc([N+](=O)[O-])ccc12	5331159	MGSJSOBFUOGWKW-UHFFFAOYSA-N	190.202	2.395	5	50	AEBA	
COc1cccc([N+](=O)[O-])c1N=O	4797569	BNKCIMUOKBBGNJ-UHFFFAOYSA-N	182.135	2.001	5	50	AEBA	
COc1ccc([N+](=O)[O-])cc1SC	147236122	JCCWGJSBIYKYLS-UHFFFAOYSA-N	199.231	2.325	5	50	AEBA	in-vitro
O=[N+]([O-])c1cccc(OC(F)F)c1	4334627	NYVCZALWNPMMSQ-UHFFFAOYSA-N	189.117	2.196	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc(NC2CC2)cc1	21509896	VTJZKYAGHWZYQC-UHFFFAOYSA-N	178.191	2.169	5	50	AEBA	in-vitro
Cc1c(N)ccc([N+](=O)[O-])c1Cl	14985727	AKXKBXITZBLAAQ-UHFFFAOYSA-N	186.598	2.139	5	50	AEBA	in-vitro
CCOc1ccc(NC)c([N+](=O)[O-])c1	30822783	DTJXSLYJMZSTII-UHFFFAOYSA-N	196.206	2.035	5	50	AEBA	
CC(C)Nc1ccccc1[N+](=O)[O-]	20006171	WPFVERYDIPOZGG-UHFFFAOYSA-N	180.207	2.415	5	50	AEBA	in-vitro
CCOc1ccc([N+](=O)[O-])cc1F	40571622	NDYXXQCMSLZHLC-UHFFFAOYSA-N	185.154	2.133	5	50	AEBA	
Cc1ccc([N+](=O)[O-])c(F)c1F	91297613	DQKUCXAFYAIKFJ-UHFFFAOYSA-N	173.118	2.181	5	50	AEBA	in-vitro
Cc1cc(C)c([N+](=O)[O-])c(F)c1	2169283	XGLWCYVNZDSDNQ-UHFFFAOYSA-N	169.155	2.351	5	50	AEBA	
O=[N+]([O-])c1ccc(C(F)(F)F)nc1	16158604	ZTSJYRKGWJZNON-UHFFFAOYSA-N	192.096	2.009	5	50	AEBA	
Cc1ccc(F)c([N+](=O)[O-])c1	1609488	OORBDHOQLZRIQR-UHFFFAOYSA-N	155.128	2.042	5	50	AEBA	in-vitro
O=[N+]([O-])c1cccc2cccnc12	334909	OQHHSGRZCKGLCY-UHFFFAOYSA-N	174.159	2.143	5	50	AEBA	biogenic,in-vitro
CCOc1ccc(C)c(F)c1[N+](=O)[O-]	261493879	LEWZSCFQAROEML-UHFFFAOYSA-N	199.181	2.441	5	50	AEBA	
Nc1cc2cccnc2c2ncccc12	186383	DKPSSMOJHLISJI-UHFFFAOYSA-N	195.225	2.365	5	50	AEBA	in-vitro
O=[N+]([O-])c1cccc2c(Cl)n[nH]c12	38885306	ZQCVSYOZBCNXNZ-UHFFFAOYSA-N	197.581	2.125	5	50	AEBA	in-vitro
CC(C)c1ccc([N+](=O)[O-])cc1N	85217629	VKEVGYZHNPSPOF-UHFFFAOYSA-N	180.207	2.300	5	50	AEBA	
Cc1cc2c([N+](=O)[O-])cccc2[nH]1	15443670	HCISKOUSZIJNET-UHFFFAOYSA-N	176.175	2.385	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc2[nH]cnc2c1Cl	238562916	IJZUCIHBALRZOK-UHFFFAOYSA-N	197.581	2.125	5	50	AEBA	in-vitro
CNc1ccc(Cl)cc1[N+](=O)[O-]	16125254	LUTBHMSHJATKIS-UHFFFAOYSA-N	186.598	2.290	5	50	AEBA	in-vitro
Cc1c[nH]c2cc([N+](=O)[O-])ccc12	5378560	FXOBRUMCGPOJLL-UHFFFAOYSA-N	176.175	2.385	5	50	AEBA	
CC[N@+]1(C)CCCC[C@H]1C	605723726	AAVHECBNSNZYLZ-NXEZZACHSA-N	142.266	2.025	5	50	AEBA	
O=[N+]([O-])c1ccc(Cl)c(F)c1	1847543	CSSSAKOGRYYMSA-UHFFFAOYSA-N	175.546	2.387	5	50	AEBA	in-vitro
CC(=O)c1ccc([N+](=O)[O-])c(C)c1	5725004	GBMJKHBPSNGUNH-UHFFFAOYSA-N	179.175	2.106	5	50	AEBA	in-vitro
O=[N+]([O-])CC/C=C/c1ccccc1	34413771	LAWOSLZMYOCMOE-XBXARRHUSA-N	177.203	2.367	5	50	AEBA	
CC[N+]1(C)C[C@@H](C)C[C@H](C)C1	145718121	PLABWEYBNUBTTM-UWVGGRQHSA-N	156.293	2.129	5	50	AEBA	
CC(C)Nc1ccc(O)cc1[N+](=O)[O-]	37162955	CPGHUJSTFNZIGY-UHFFFAOYSA-N	196.206	2.121	5	50	AEBA	
COc1cc(C)c([N+](=O)[O-])c(C)c1	3033162	IGRJLJWPPSJVTG-UHFFFAOYSA-N	181.191	2.220	5	50	AEBA	
Cc1nc2ccc([N+](=O)[O-])cc2o1	167742	DPVZLXWUFYMLBK-UHFFFAOYSA-N	178.147	2.044	5	50	AEBA	in-vitro
COc1cc([N+](=O)[O-])cc(C)c1F	307014032	SARISLZDDWBROA-UHFFFAOYSA-N	185.154	2.051	5	50	AEBA	
CC(=O)c1ccc([N+](=O)[O-])cc1Cl	172231	BRFBJVQQCATLSZ-UHFFFAOYSA-N	199.593	2.451	5	50	AEBA	in-vitro
COc1cc2cc[nH]c2cc1[N+](=O)[O-]	95930413	WDXINEUUEKDULS-UHFFFAOYSA-N	192.174	2.085	5	50	AEBA	
CCOc1ccc(/C=C/[N+](=O)[O-])cc1	97022	LCRQRRBRHHLEHO-BQYQJAHWSA-N	193.202	2.333	5	50	AEBA	
C/C(=C\c1ccccc1F)[N+](=O)[O-]	5287589	SIKJWKHYKLQDSS-VOTSOKGWSA-N	181.166	2.463	5	50	AEBA	
O=[N+]([O-])c1cccc(N2CCCC2)c1	75326	GRNJGZQBTNJPIL-UHFFFAOYSA-N	192.218	2.195	5	50	AEBA	
CC(=O)Sc1ccc([N+](=O)[O-])cc1	2018920	QCGPFSMQZNLBCA-UHFFFAOYSA-N	197.215	2.233	5	50	AEBA	in-vitro
CC(C)CNc1ncccc1[N+](=O)[O-]	19985069	QDBSAMWCNGFVKZ-UHFFFAOYSA-N	195.222	2.058	5	50	AEBA	in-vitro
CCOc1ccc(C)cc1[N+](=O)[O-]	59135718	QCDITDRNYKTXNM-UHFFFAOYSA-N	181.191	2.302	5	50	AEBA	
Cc1cc(S)ccc1[N+](=O)[O-]	147431185	LZBUHYXIKJZOKU-UHFFFAOYSA-N	169.205	2.192	5	50	AEBA	
Cc1nc2c([N+](=O)[O-])cccc2o1	8762653	XREFCVYBUYJUNP-UHFFFAOYSA-N	178.147	2.044	5	50	AEBA	
C[N+]1(C)C2CCCC1CCC2	1711517	AHERXMGRZPPWKN-UHFFFAOYSA-N	154.277	2.168	5	50	AEBA	
CCOc1cc(F)cc([N+](=O)[O-])c1	1701566	MTEHSJMNPXESQN-UHFFFAOYSA-N	185.154	2.133	5	50	AEBA	
O=[N+]([O-])c1ccsc1Cl	1513509	OFPRGOSJWUNETN-UHFFFAOYSA-N	163.585	2.310	5	50	AEBA	in-vitro
CC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	45028232	YLRJODJMRMHUSQ-UHFFFAOYSA-N	199.593	2.451	5	50	AEBA	
Cc1cc2ccc([N+](=O)[O-])cc2[nH]1	32220434	QYRWLOIXPQRTLO-UHFFFAOYSA-N	176.175	2.385	5	50	AEBA	in-vitro
Cc1c([N+](=O)[O-])ccc2[nH]ccc12	34559247	XRJNLFAXLSBIDS-UHFFFAOYSA-N	176.175	2.385	5	50	AEBA	in-vitro
Cc1cc([N+]#N)ccc1[N+](=O)[O-]	8301390	JEXUPZYLNHZRPS-UHFFFAOYSA-N	164.144	2.388	5	50	AEBA	in-vitro
N#[N+]c1ccc([N+](=O)[O-])cc1	4521717	ICMFHHGKLRTCBM-UHFFFAOYSA-N	150.117	2.079	5	50	AEBA	in-vitro
CCNc1cc([N+](=O)[O-])ccc1C	2164967	JGBJNRPKVSUFSM-UHFFFAOYSA-N	180.207	2.335	5	50	AEBA	
CC(C)Nc1ccc([N+](=O)[O-])cc1	5188906	VTSUWHFLMJLYKN-UHFFFAOYSA-N	180.207	2.415	5	50	AEBA	
COc1cccc([N+](=O)[O-])c1Cl	21304512	XVBAPYDWAVGVGW-UHFFFAOYSA-N	187.582	2.257	5	50	AEBA	in-vitro
O=[N+]([O-])c1cccc2c1[C@H]1[C@@H]3[C@@H]2C[C@H]31	101037233	OCVSRBZKAZIWQV-LUQPRHOASA-N	187.198	2.425	5	50	AEBA	
CNc1cc(Cl)ccc1[N+](=O)[O-]	4262109	YWJPRGWHZDSXML-UHFFFAOYSA-N	186.598	2.290	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc2c(Cl)n[nH]c2c1	4877343	IBTQINLHMGQUJU-UHFFFAOYSA-N	197.581	2.125	5	50	AEBA	in-vitro
Cc1ccc(O)c([N+](=O)[O-])c1Cl	169725146	VCBOOMGORINFOQ-UHFFFAOYSA-N	187.582	2.262	5	50	AEBA	
Oc1cccc2nc3ccccc3nc12	5422109	SVRNCBGWUMMBQB-UHFFFAOYSA-N	196.209	2.489	5	50	AEBA	biogenic,in-vitro
CCc1nc2c([N+](=O)[O-])cccc2o1	14007488	RXERROAGDLLQDA-UHFFFAOYSA-N	192.174	2.298	5	50	AEBA	in-vitro
CCOc1ccc([N+](=O)[O-])cc1C	40571720	WCRAZURCVUSOIV-UHFFFAOYSA-N	181.191	2.302	5	50	AEBA	
C[N+](C)(C)C1CCCCC1	1720064	HCKMSHYCAFVSGW-UHFFFAOYSA-N	142.266	2.025	5	50	AEBA	
O=[N+]([O-])c1ccc(O)c(F)c1Cl	299890251	WPMADSINXSHRSI-UHFFFAOYSA-N	191.545	2.093	5	50	AEBA	
O=[N+]([O-])c1ccc(Cl)c(O)c1F	257908708	ZVNFQSIFYUUYMD-UHFFFAOYSA-N	191.545	2.093	5	50	AEBA	
O=[N+]([O-])c1cccc(Cl)c1F	1732262	RBAHXNSORRGCQA-UHFFFAOYSA-N	175.546	2.387	5	50	AEBA	in-vitro
O=Cc1cc(Cl)cc([N+](=O)[O-])c1	35569894	KXGORBDLPVCCOJ-UHFFFAOYSA-N	185.566	2.061	5	50	AEBA	in-vitro
O=[N+]([O-])c1cnc(Cl)cc1Cl	15021894	RZVJQUMDJUUBBF-UHFFFAOYSA-N	192.989	2.297	5	50	AEBA	in-vitro
O=[N+]([O-])c1c(F)cccc1S	238550088	HSCLGEBILUEIQN-UHFFFAOYSA-N	173.168	2.023	5	50	AEBA	
C[N+](C)(C)CCC1=CCC=CC1	3070191	SBEZJJPTCRPEDH-UHFFFAOYSA-N	166.288	2.359	5	50	AEBA	
O=Cc1ccc([N+](=O)[O-])c(Cl)c1	5427016	LINXIPJBQRYFHA-UHFFFAOYSA-N	185.566	2.061	5	50	AEBA	in-vitro
CC(C)(C)Nc1ncccc1[N+](=O)[O-]	20135242	VBLKGHCNQATLJX-UHFFFAOYSA-N	195.222	2.200	5	50	AEBA	in-vitro
O=[N+]([O-])c1cccc(-n2cccc2)c1	37525	GTWSUEQDVMZTRP-UHFFFAOYSA-N	188.186	2.386	5	50	AEBA	
Cc1cc(F)ccc1[N+](=O)[O-]	164614	JHFOWEGCZWLHNW-UHFFFAOYSA-N	155.128	2.042	5	50	AEBA	in-vitro
Cc1ccc(/C=C\[N+](=O)[O-])cc1	6167748	JSPNBERPFLONRX-SREVYHEPSA-N	163.176	2.242	5	50	AEBA	
C[C@@H](c1ccccc1)[N+](C)(C)C	2003477	RLGJGURRNUODBC-JTQLQIEISA-N	164.272	2.454	5	50	AEBA	
CCOc1ccc(F)c([N+](=O)[O-])c1	74938190	FOHXVSNHSWNAAI-UHFFFAOYSA-N	185.154	2.133	5	50	AEBA	
O=[N+]([O-])c1ccc2c(c1)CCC2	4887441	DLURUQQMVLOLCP-UHFFFAOYSA-N	163.176	2.084	5	50	AEBA	in-vitro
O=[N+]([O-])c1cc(F)ccc1S	95829823	XZYMOIJGXLSPTM-UHFFFAOYSA-N	173.168	2.023	5	50	AEBA	in-vitro
Cc1ccc([N+](=O)[O-])c(F)c1	1628020	WZMOWQCNPFDWPA-UHFFFAOYSA-N	155.128	2.042	5	50	AEBA	in-vitro
COc1cc(C)c([N+](=O)[O-])cc1F	60107524	GCKWCMGHWIOMRU-UHFFFAOYSA-N	185.154	2.051	5	50	AEBA	in-vitro
CCNc1cc(OC)ccc1[N+](=O)[O-]	4314373	YKGNYGWCOUUMAI-UHFFFAOYSA-N	196.206	2.035	5	50	AEBA	
O=[N+]([O-])c1ccc2ncccc2c1	331721	SMHPLBXIVNQFBA-UHFFFAOYSA-N	174.159	2.143	5	50	AEBA	in-vitro
Cc1oc2ccc(O)cc2c1[N+](=O)[O-]	4019959	WVEXJWIFOHUZBE-UHFFFAOYSA-N	193.158	2.355	5	50	AEBA	
CC[N+]1(C)[C@H](C)CCC[C@H]1C	145247312	QOURMEHOWGLDIZ-NXEZZACHSA-N	156.293	2.414	5	50	AEBA	
CCC(=O)c1cccc([N+](=O)[O-])c1	1726769	VSPOTMOYDHRALZ-UHFFFAOYSA-N	179.175	2.188	5	50	AEBA	in-vitro
Cc1c(N)cc(Cl)cc1[N+](=O)[O-]	3844891	KBFNZWHWSZUQNI-UHFFFAOYSA-N	186.598	2.139	5	50	AEBA	in-vitro
CC[C@H]1CCC[N@@+]1(C)CC	822722741	DAGXQCDJGBETKF-VHSXEESVSA-N	142.266	2.025	5	50	AEBA	
CCC[N@+]1(C)CC[C@@H]2CCC[C@@H]21	1857797670	DTBVBLOOHLUHBE-SDDRHHMPSA-N	168.304	2.415	5	50	AEBA	
CCNc1cccc(C)c1[N+](=O)[O-]	227558045	QGYHJAAZYQMNOB-UHFFFAOYSA-N	180.207	2.335	5	50	AEBA	
CC1(C)CNc2cc([N+](=O)[O-])ccc21	44138052	OBRVKOVWGSBITQ-UHFFFAOYSA-N	192.218	2.298	5	50	AEBA	in-vitro
O=[N+]([O-])C=C1CCC(F)(F)CC1	675063018	WVJPSVFFPWFIIT-UHFFFAOYSA-N	177.150	2.356	5	50	AEBA	
O=C1CCCc2sc([N+](=O)[O-])cc21	236165	YDAOTLYGTWGWNT-UHFFFAOYSA-N	197.215	2.175	5	50	AEBA	
CCN(CC)c1ccccc1[N+](=O)[O-]	4366067	BUBRUAQVAPTGHV-UHFFFAOYSA-N	194.234	2.441	5	50	AEBA	
Cc1c([N+](=O)[O-])cnc2ccccc12	14983229	NDKYJOLMYSCMGQ-UHFFFAOYSA-N	188.186	2.451	5	50	AEBA	
O=[N+]([O-])c1c[nH]c2nccc(Cl)c12	42689461	KCCXAUDAHDKANR-UHFFFAOYSA-N	197.581	2.125	5	50	AEBA	in-vitro
CC[C@@H]1CCCC[N@@+]1(C)CC	606422354	UIQHUHPIRRYLDE-GHMZBOCLSA-N	156.293	2.415	5	50	AEBA	
O=[N+]([O-])/C=C/c1ccc(F)cc1	101337	VRFSQVFSQAYHRU-AATRIKPKSA-N	167.139	2.073	5	50	AEBA	in-vitro
CC(=O)c1c(C)cccc1[N+](=O)[O-]	71773723	OKABSSBMRAWDFQ-UHFFFAOYSA-N	179.175	2.106	5	50	AEBA	in-vitro
O=[N+]([O-])c1cccc2cnccc12	93213	PYGMPFQCCWBTJQ-UHFFFAOYSA-N	174.159	2.143	5	50	AEBA	in-vitro
O=[N+]([O-])c1cc(Cl)cc2ncoc12	91366414	KNEAFDRPEPJZOM-UHFFFAOYSA-N	198.565	2.389	5	50	AEBA	
Cc1cc([N+](=O)[O-])c(Cl)cc1O	114636713	TZQGYCQDUOULKI-UHFFFAOYSA-N	187.582	2.262	5	50	AEBA	
Cc1cc(C)c([N+](=O)[O-])cc1F	1743282	WHXPEFPOIQDRJZ-UHFFFAOYSA-N	169.155	2.351	5	50	AEBA	in-vitro
Cc1ccc2c([N+](=O)[O-])cccc2n1	1640039	XJHADKRGUJCHOO-UHFFFAOYSA-N	188.186	2.451	5	50	AEBA	
CCNc1cc(F)ccc1[N+](=O)[O-]	34500259	BBXLSURFRDKKLF-UHFFFAOYSA-N	184.170	2.166	5	50	AEBA	
CC[N@+]1(C)CC[C@@H]2CCC[C@@H]21	1857797672	LSZGMSMELVUHRX-GARJFASQSA-N	154.277	2.025	5	50	AEBA	
Cc1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-]	1571072	FOWXIRIJHSFCRC-UHFFFAOYSA-N	196.162	2.120	5	50	AEBA	in-vitro
Cc1c(F)ccc([N+](=O)[O-])c1C	2547822	GLDMIZKOJPVEIV-UHFFFAOYSA-N	169.155	2.351	5	50	AEBA	in-vitro
CC1CCC(=C[N+](=O)[O-])CC1	675062548	HUMSKSSINXWQPJ-UHFFFAOYSA-N	155.197	2.357	5	50	AEBA	
CC[N@+]1(C)CC[C@@H]2CCC[C@H]21	1857797674	LSZGMSMELVUHRX-HBNTYKKESA-N	154.277	2.025	5	50	AEBA	
CCc1nc2ccc([N+](=O)[O-])cc2o1	2511820	PCGXXJTVFLMTPJ-UHFFFAOYSA-N	192.174	2.298	5	50	AEBA	in-vitro
O=[N+]([O-])c1cc(F)c(Cl)cc1O	62152885	QQVVAVSPGWOFKT-UHFFFAOYSA-N	191.545	2.093	5	50	AEBA	in-vitro
CCOc1cc(NC)ccc1[N+](=O)[O-]	82523337	CVAINZLPPLCASF-UHFFFAOYSA-N	196.206	2.035	5	50	AEBA	
CCCOc1ncc(C)cc1[N+](=O)[O-]	261493568	DTCYRWRHUHKATL-UHFFFAOYSA-N	196.206	2.087	5	50	AEBA	
O=[N+]([O-])c1ccc2oc(Cl)nc2c1	33420172	JDESVZPWUYUPRC-UHFFFAOYSA-N	198.565	2.389	5	50	AEBA	
O=[N+]([O-])c1sccc1Cl	39294283	DMRGXGMRGIFNDW-UHFFFAOYSA-N	163.585	2.310	5	50	AEBA	in-vitro
Cc1cccc([N+](=O)[O-])c1F	14989464	NBCNUIXYBLFJMI-UHFFFAOYSA-N	155.128	2.042	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc(-c2cnco2)cc1	143266	JJFHVOMPLSSUEC-UHFFFAOYSA-N	190.158	2.250	5	50	AEBA	in-vitro
Cc1cc([N+](=O)[O-])cc2ncccc12	345606	RPHYTBDZJQUYOR-UHFFFAOYSA-N	188.186	2.451	5	50	AEBA	
O=[N+]([O-])c1ccc2c(c1)SCCN2	95644355	LCOAYUPAESYAHF-UHFFFAOYSA-N	196.231	2.112	5	50	AEBA	
Cc1nc2cc([N+](=O)[O-])ccc2o1	168190	UCZSXRHVXKAGFU-UHFFFAOYSA-N	178.147	2.044	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccccc1OCC1CC1	165926367	GXFXLAHQFYHZTL-UHFFFAOYSA-N	193.202	2.384	5	50	AEBA	
COc1c(Cl)cccc1[N+](=O)[O-]	2169868	MSBUQNLLSANFDL-UHFFFAOYSA-N	187.582	2.257	5	50	AEBA	in-vitro
CCOc1ccc([N+](=O)[O-])c(NC)c1	95496098	UGVXPEJCGCNAKW-UHFFFAOYSA-N	196.206	2.035	5	50	AEBA	
Cc1ccc(N)c([N+](=O)[O-])c1Cl	97743310	LAZJONCASXDNSF-UHFFFAOYSA-N	186.598	2.139	5	50	AEBA	
CC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	1386310	HVXQVXNQKCPSLH-UHFFFAOYSA-N	199.593	2.451	5	50	AEBA	in-vitro
Cc1ccc([N+](=O)[O-])c(Cl)c1O	2580756	FYPOFAFXSGYVLK-UHFFFAOYSA-N	187.582	2.262	5	50	AEBA	in-vitro
[C-]#[N+]c1ccc([N+](=O)[O-])cc1C	100000370	XYUPYRZEVUIFDN-UHFFFAOYSA-N	162.148	2.454	5	50	AEBA	in-vitro
COc1c(C)cc([N+](=O)[O-])cc1C	6069996	HSDNHFOJTRMGER-UHFFFAOYSA-N	181.191	2.220	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc2[nH]c(Cl)nc2c1	8729711	GWSMACGSFHRVFA-UHFFFAOYSA-N	197.581	2.125	5	50	AEBA	in-vitro
COc1cc(F)c(C)cc1[N+](=O)[O-]	39090244	JQNHPTUQNTUAJC-UHFFFAOYSA-N	185.154	2.051	5	50	AEBA	in-vitro
O=[N+]([O-])c1c(Cl)cncc1Cl	14982631	JGZHZSXAYXXCFB-UHFFFAOYSA-N	192.989	2.297	5	50	AEBA	
[C-]#[N+]c1ccc([N+](=O)[O-])cc1	95697860	WQFPYEBGLBCQOY-UHFFFAOYSA-N	148.121	2.146	5	50	AEBA	in-vitro
C=Cc1cccc([N+](=O)[O-])c1	1693951	SYZVQXIUVGKCBJ-UHFFFAOYSA-N	149.149	2.238	5	50	AEBA	in-vitro
O=[N+]([O-])c1cnn(C2CCCCC2)c1	95495687	JKGGPABUZVDTIY-UHFFFAOYSA-N	195.222	2.297	5	50	AEBA	in-vitro
CCCOc1cccc([N+](=O)[O-])c1	5836686	ATCLUTSGXRLRKU-UHFFFAOYSA-N	181.191	2.384	5	50	AEBA	
CSc1ccc([N+](=O)[O-])cc1	163356	NEZGPRYOJVPJKL-UHFFFAOYSA-N	169.205	2.317	5	50	AEBA	in-vitro
CCOc1cc([N+](=O)[O-])ccc1OC	36438536	PAGHLFPRFADKFP-UHFFFAOYSA-N	197.190	2.002	5	50	AEBA	
O=[N+]([O-])c1c(Cl)ccnc1Cl	14982629	RTXYIHGMYDJHEU-UHFFFAOYSA-N	192.989	2.297	5	50	AEBA	in-vitro
Cc1ccc(SC[N+](=O)[O-])cc1	137289646	AXNUHBABCKCLGA-UHFFFAOYSA-N	183.232	2.321	5	50	AEBA	
O=[N+]([O-])c1cc(F)c(F)c(F)c1F	1626898	MKMDVNZEIQDZEP-UHFFFAOYSA-N	195.071	2.151	5	50	AEBA	in-vitro
COc1cc([N+](=O)[O-])ccc1Cl	2004522	JXIJUAWSDBACEB-UHFFFAOYSA-N	187.582	2.257	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccccc1N1CCCC1	12396074	DHTSBEQPOXRZBB-UHFFFAOYSA-N	192.218	2.195	5	50	AEBA	in-vitro
CCCNCc1ccccc1[N+](=O)[O-]	20056539	PLWWNRIIUXGENY-UHFFFAOYSA-N	194.234	2.094	5	50	AEBA	
COc1cc([N+](=O)[O-])c(F)cc1C	96032771	ANTUPTYBGAWYGM-UHFFFAOYSA-N	185.154	2.051	5	50	AEBA	in-vitro
O=[N+]([O-])c1cc(F)cc(Cl)c1	97756616	TZAGKOKYKROSOW-UHFFFAOYSA-N	175.546	2.387	5	50	AEBA	in-vitro
CCOc1ccc([N+](=O)[O-])c(C)c1	35822609	BXMRWUIRVNVUBM-UHFFFAOYSA-N	181.191	2.302	5	50	AEBA	
Cc1nc2cc([N+](=O)[O-])cc(C)c2o1	95117372	KSPKXEAJMDYPHE-UHFFFAOYSA-N	192.174	2.353	5	50	AEBA	
O=[N+]([O-])c1cccc(Cl)c1	1686983	KMAQZIILEGKYQZ-UHFFFAOYSA-N	157.556	2.248	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccnc2ccccc12	5422316	ZPVSFHWMXABGPU-UHFFFAOYSA-N	174.159	2.143	5	50	AEBA	in-vitro
COc1cc(C)c([N+](=O)[O-])cc1C	1865968	KCPIVGRYBOMWHH-UHFFFAOYSA-N	181.191	2.220	5	50	AEBA	
CCCC[N+]1(C)CCCC1	16158123	PXELHGDYRQLRQO-UHFFFAOYSA-N	142.266	2.027	5	50	AEBA	in-vitro
Cc1cc(F)c(F)cc1[N+](=O)[O-]	2541343	DJEBTFSOEQWELL-UHFFFAOYSA-N	173.118	2.181	5	50	AEBA	in-vitro
Cc1cc2cc([N+](=O)[O-])ccc2[nH]1	86757	IDJGRXQMAHESOD-UHFFFAOYSA-N	176.175	2.385	5	50	AEBA	biogenic,in-vitro
O=[N+]([O-])c1ccc2[nH]ccc2c1	105247	OZFPSOBLQZPIAV-UHFFFAOYSA-N	162.148	2.076	5	50	AEBA	in-vitro
CC(=O)c1ccc([N+](=O)[O-])cc1C	44830752	YNCIXVBGKCHARM-UHFFFAOYSA-N	179.175	2.106	5	50	AEBA	
O=[N+]([O-])c1cccc2c1[C@@H]1[C@@H]3C[C@@H]2[C@@H]31	216332252	OCVSRBZKAZIWQV-IQOVXZNZSA-N	187.198	2.425	5	50	AEBA	
CC(C)Sc1ccc([N+](=O)[O-])cn1	39117283	KHFKORAGLAFTGE-UHFFFAOYSA-N	198.247	2.490	5	50	AEBA	
C[Si](C)(C)c1ccc([N+](=O)[O-])cc1	169815988	IJGJSNAIGBFOTK-UHFFFAOYSA-N	195.294	2.140	5	50	AEBA	
CCc1ccccc1[N+](=O)[O-]	1680683	PXWYZLWEKCMTEZ-UHFFFAOYSA-N	151.165	2.157	5	50	AEBA	in-vitro
Cc1cc(F)c([N+](=O)[O-])cc1F	1628021	ABWWQMGGJXKGBL-UHFFFAOYSA-N	173.118	2.181	5	50	AEBA	in-vitro
Cc1cc(O)c([N+](=O)[O-])cc1Cl	35799625	JBMGJOKJUYGIJH-UHFFFAOYSA-N	187.582	2.262	5	50	AEBA	
O=Cc1ccc(Cl)c([N+](=O)[O-])c1	164501	HETBKLHJEWXWBM-UHFFFAOYSA-N	185.566	2.061	5	50	AEBA	in-vitro
O=[N+]([O-])c1cc(Cl)cc2[nH]ncc12	14983194	ALKXLVRDXHYCOA-UHFFFAOYSA-N	197.581	2.125	5	50	AEBA	in-vitro
Cc1c(F)cc(F)cc1[N+](=O)[O-]	146162844	FLVCMMRPNZCHPC-UHFFFAOYSA-N	173.118	2.181	5	50	AEBA	in-vitro
O=Cc1c(Cl)cccc1[N+](=O)[O-]	2567952	RZDOUWDCYULHJX-UHFFFAOYSA-N	185.566	2.061	5	50	AEBA	in-vitro
Cc1cc([N+](=O)[O-])c(C)cc1F	95935604	VUOPPDPBZDVFHW-UHFFFAOYSA-N	169.155	2.351	5	50	AEBA	
Cc1cc(F)cc([N+](=O)[O-])c1F	44563557	JPBHCSGGXITIHO-UHFFFAOYSA-N	173.118	2.181	5	50	AEBA	
Cc1c(Cl)ccc(N)c1[N+](=O)[O-]	39439516	GYHHJCSQFNOFDU-UHFFFAOYSA-N	186.598	2.139	5	50	AEBA	in-vitro
CCCCOc1ccc([N+](=O)[O-])cn1	1690106	GEMGCBQSLUFODV-UHFFFAOYSA-N	196.206	2.169	5	50	AEBA	in-vitro
O=[N+]([O-])c1cnc2[nH]ccc2c1Cl	72266011	WOFUUJSVPQZPIH-UHFFFAOYSA-N	197.581	2.125	5	50	AEBA	in-vitro
C[N+]1(C)CCC2=C[C@H]3C=C[C@H]2[C@H]1C=C3	101043669	ALKOMVSGHSDYAU-CYZMBNFOSA-N	188.294	2.134	5	50	AEBA	
O=[N+]([O-])c1ccc(Cl)nc1Cl	967353	SHCWQWRTKPNTEM-UHFFFAOYSA-N	192.989	2.297	5	50	AEBA	
CCNc1ccc([N+](=O)[O-])cc1	4301178	XBNNLAWQCMDISJ-UHFFFAOYSA-N	166.180	2.027	5	50	AEBA	in-vitro
C[Si](C)(C)c1cccc([N+](=O)[O-])c1	195778607	GYTSKHMNFXLYCZ-UHFFFAOYSA-N	195.294	2.140	5	50	AEBA	
O=[N+]([O-])/C=C/c1cccc(F)c1F	2244070	JDRSMSYNVLDZLA-SNAWJCMRSA-N	185.129	2.212	5	50	AEBA	
Cc1cc(Cl)cc([N+](=O)[O-])c1N	4203899	QDSCDFKGUAONPC-UHFFFAOYSA-N	186.598	2.139	5	50	AEBA	in-vitro
CC(C)Oc1ccc([N+](=O)[O-])cc1	2379683	GSOJVDNLACMALV-UHFFFAOYSA-N	181.191	2.382	5	50	AEBA	in-vitro
CCc1nc2cc([N+](=O)[O-])ccc2o1	168193	FERFKXKLCUEJPW-UHFFFAOYSA-N	192.174	2.298	5	50	AEBA	
CC[N+]1(C)C[C@H](C)C[C@@H](C)C1	145718318	PLABWEYBNUBTTM-NXEZZACHSA-N	156.293	2.129	5	50	AEBA	
O=C(c1cccc([N+](=O)[O-])c1)C1CC1	1673868	SPBSPZKRZGRRSE-UHFFFAOYSA-N	191.186	2.188	5	50	AEBA	in-vitro
Cc1cc([N+](=O)[O-])c(F)cc1F	60148858	BVVAZYONIKSNFT-UHFFFAOYSA-N	173.118	2.181	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc(O)c(Cl)c1F	204007616	FJZVGCKMPJKCAE-UHFFFAOYSA-N	191.545	2.093	5	50	AEBA	
O=[N+]([O-])c1ccc2oc(S)nc2c1	3100671	FQOGSTGLRLMQOV-UHFFFAOYSA-N	196.187	2.025	5	50	AEBA	in-vitro
O=[N+]([O-])c1cc2c(cc1Cl)CCN2	498050932	SOMADCPMWAGDKT-UHFFFAOYSA-N	198.609	2.216	5	50	AEBA	
O=Cc1ccc(Cl)cc1[N+](=O)[O-]	2516159	MZPNQUMLOFWSEK-UHFFFAOYSA-N	185.566	2.061	5	50	AEBA	in-vitro
Cc1ccnc2c([N+](=O)[O-])cccc12	80357	ZNGIJEBXIREQLE-UHFFFAOYSA-N	188.186	2.451	5	50	AEBA	biogenic
Cc1ccc([N+](=O)[O-])c2cccnc12	267042	JJGAHJWKYOSGEU-UHFFFAOYSA-N	188.186	2.451	5	50	AEBA	biogenic,in-vitro
O=[N+]([O-])c1cccc2cc[nH]c12	1695861	LZJGQIVWUKFTRD-UHFFFAOYSA-N	162.148	2.076	5	50	AEBA	in-vitro
CC1=CNc2cccc([N+](=O)[O-])c2N1	238520356	LMCWXCNLIRZZQO-UHFFFAOYSA-N	191.190	2.294	5	50	AEBA	
Cc1cc([N+](C)(C)C)cc(C)c1N	281859	IYTDTIYMBBSWFD-UHFFFAOYSA-N	179.287	2.082	5	50	AEBA	
COc1ccc2[nH]ccc2c1[N+](=O)[O-]	34628463	NPFMBMRULROMHX-UHFFFAOYSA-N	192.174	2.085	5	50	AEBA	in-vitro
Cc1cccc(F)c1[N+](=O)[O-]	16158642	JSXAJLMUBSEJFF-UHFFFAOYSA-N	155.128	2.042	5	50	AEBA	in-vitro
COc1cc(Cl)cc([N+](=O)[O-])c1	44831194	SVMYKCBIUQUCKY-UHFFFAOYSA-N	187.582	2.257	5	50	AEBA	in-vitro
O=[N+]([O-])c1cnc(Cl)c(Cl)c1	14982627	XLPDVAVQKGDHNO-UHFFFAOYSA-N	192.989	2.297	5	50	AEBA	in-vitro
Cc1c[nH]c2cccc([N+](=O)[O-])c12	5378558	JSMHPFAGQBYKJS-UHFFFAOYSA-N	176.175	2.385	5	50	AEBA	
O=[N+]([O-])/C=C/c1c[nH]c2ccccc12	254599	IPASVEYYTNTJTM-AATRIKPKSA-N	188.186	2.415	5	50	AEBA	biogenic
Nc1ccc2ccccc2c1[N+](=O)[O-]	4366065	JNWGFQCTJCIODS-UHFFFAOYSA-N	188.186	2.330	5	50	AEBA	
O=[N+]([O-])c1cc(O)ccc1C(F)F	238713698	CSVLRDGREHVAHL-UHFFFAOYSA-N	189.117	2.238	5	50	AEBA	
Cc1c(O)cc(Cl)cc1[N+](=O)[O-]	238537867	JATQYZXNZJKFMI-UHFFFAOYSA-N	187.582	2.262	5	50	AEBA	
Cc1cncc2cccc([N+](=O)[O-])c12	22063330	RDIJVEJSTUYLCI-UHFFFAOYSA-N	188.186	2.451	5	50	AEBA	in-vitro
CCC[N@+]1(C)CC[C@@H]2CCC[C@H]21	1857797669	DTBVBLOOHLUHBE-QJPTWQEYSA-N	168.304	2.415	5	50	AEBA	
CC[N@+]1(C)CC[C@H]2CCC[C@@H]21	1857797675	LSZGMSMELVUHRX-OUAUKWLOSA-N	154.277	2.025	5	50	AEBA	
Cc1cc(Cl)c([N+](=O)[O-])c(C)n1	16125058	PSBGFLWVQDGETK-UHFFFAOYSA-N	186.598	2.260	5	50	AEBA	in-vitro
CC(=O)c1ccc(C)c([N+](=O)[O-])c1	1596374	YRBBMDOBWRUMEZ-UHFFFAOYSA-N	179.175	2.106	5	50	AEBA	in-vitro
C/C(=C\c1cccs1)[N+](=O)[O-]	4709214	HMPLFCAOIJOKGX-AATRIKPKSA-N	169.205	2.386	5	50	AEBA	in-vitro
O=[N+]([O-])c1c[nH]c2nc(Cl)ccc12	44712802	LHSQYXDNGXWWTK-UHFFFAOYSA-N	197.581	2.125	5	50	AEBA	
CCNc1cc(C)sc1[N+](=O)[O-]	596056383	XEHWOIKMZKHMMY-UHFFFAOYSA-N	186.236	2.397	5	50	AEBA	
O=[N+]([O-])c1c(F)cc(F)c(F)c1F	1847588	FDLCUAUNAWWSBX-UHFFFAOYSA-N	195.071	2.151	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc2ccncc2c1	38890452	NYHHIPIPUVLUFF-UHFFFAOYSA-N	174.159	2.143	5	50	AEBA	
CC(C)COc1ncccc1[N+](=O)[O-]	168543160	RRIAWMKBDINUJO-UHFFFAOYSA-N	196.206	2.025	5	50	AEBA	
Cn1ccc2ccc([N+](=O)[O-])cc21	39074574	AYGFFYXMDIOSFO-UHFFFAOYSA-N	176.175	2.087	5	50	AEBA	
CC[N+]1(C)[C@@H](C)CCC[C@@H]1C	145246904	QOURMEHOWGLDIZ-UWVGGRQHSA-N	156.293	2.414	5	50	AEBA	
O=[N+]([O-])c1ccn(C2CCCCC2)n1	307231087	BYGZZJNCNZMDBB-UHFFFAOYSA-N	195.222	2.297	5	50	AEBA	
CCc1nc2cc([N+](=O)[O-])ccc2[nH]1	1681383	AAJAEEPAUQTYFB-UHFFFAOYSA-N	191.190	2.034	5	50	AEBA	in-vitro
Cc1c[nH]c2ccc([N+](=O)[O-])cc12	3138370	LPFQDJBJGFUMRG-UHFFFAOYSA-N	176.175	2.385	5	50	AEBA	in-vitro
CC[C@H]1CCCC[N@@+]1(C)CC	606422357	UIQHUHPIRRYLDE-WDEREUQCSA-N	156.293	2.415	5	50	AEBA	
CCOc1ccc([N+](=O)[O-])cc1OC	80490037	YYRWHXAINWUHOK-UHFFFAOYSA-N	197.190	2.002	5	50	AEBA	
CCc1ccc(F)c([N+](=O)[O-])c1	142400468	OEAIFKMEZXCJPG-UHFFFAOYSA-N	169.155	2.296	5	50	AEBA	
COc1cc(Cl)ccc1[N+](=O)[O-]	1690006	ABEUJUYEUCCZQF-UHFFFAOYSA-N	187.582	2.257	5	50	AEBA	in-vitro
COc1cc(C)cc(F)c1[N+](=O)[O-]	95830369	RGUGJMKMSOSKSM-UHFFFAOYSA-N	185.154	2.051	5	50	AEBA	
C=Cc1ccc([N+](=O)[O-])cc1	153489	YFZHODLXYNDBSM-UHFFFAOYSA-N	149.149	2.238	5	50	AEBA	in-vitro
O=[N+]([O-])c1cc(F)c(O)cc1Cl	217355958	KHNFVXKDLWKPRS-UHFFFAOYSA-N	191.545	2.093	5	50	AEBA	
O=[N+]([O-])c1ccc(-c2ccon2)cc1	15442919	XXAAKZGOIOIOQB-UHFFFAOYSA-N	190.158	2.250	5	50	AEBA	
O=[N+]([O-])/C=C/c1cccc(F)c1	103600	NOXNBNYWEWJUTM-SNAWJCMRSA-N	167.139	2.073	5	50	AEBA	in-vitro
Cc1cc(F)c([N+](=O)[O-])c(F)c1	71791102	RCDKCOBKMXBXAU-UHFFFAOYSA-N	173.118	2.181	5	50	AEBA	in-vitro
CCCCOc1ncccc1[N+](=O)[O-]	261493446	BFRQOIKUVZPNNK-UHFFFAOYSA-N	196.206	2.169	5	50	AEBA	
Cc1ccc([N+](=O)[O-])cc1C	1693954	HFZKOYWDLDYELC-UHFFFAOYSA-N	151.165	2.212	5	50	AEBA	
COc1cccc(/C=C(\C)[N+](=O)[O-])c1	4695281	RTHJCENCGDYCIY-SOFGYWHQSA-N	193.202	2.333	5	50	AEBA	
O=[N+]([O-])c1cc(Cl)ccc1F	1847552	DIAWBHLTWNWYGR-UHFFFAOYSA-N	175.546	2.387	5	50	AEBA	in-vitro
O=[N+]([O-])c1cc(Cl)cnc1Cl	6731762	OBUGJYJQJWMOQO-UHFFFAOYSA-N	192.989	2.297	5	50	AEBA	in-vitro
O=[N+]([O-])c1c(O)ccc2ccccc12	36377924	SSHIVHKMGVBXTJ-UHFFFAOYSA-N	189.170	2.454	5	50	AEBA	in-vitro
O=[N+]([O-])c1c(F)c(F)cc(F)c1F	8698302	YLNJZWIHZRLYRI-UHFFFAOYSA-N	195.071	2.151	5	50	AEBA	in-vitro
CC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	155344	YEVPHFIFGUWSMG-UHFFFAOYSA-N	199.593	2.451	5	50	AEBA	in-vitro
O=[N+]([O-])c1cc(F)cc(Cl)c1O	4110073	PLBDUVIWPGCVIF-UHFFFAOYSA-N	191.545	2.093	5	50	AEBA	
CCC[N@+]1(C)CC[C@H]2CCC[C@@H]21	1857797667	DTBVBLOOHLUHBE-GRYCIOLGSA-N	168.304	2.415	5	50	AEBA	
O=Cc1cc(Cl)ccc1[N+](=O)[O-]	1689764	SWGPIDCNYAYXMJ-UHFFFAOYSA-N	185.566	2.061	5	50	AEBA	in-vitro
O=Cc1cccc([N+](=O)[O-])c1Cl	39261905	WKIVBBWLRIFGHF-UHFFFAOYSA-N	185.566	2.061	5	50	AEBA	in-vitro
O=[N+]([O-])c1cccc2c1NCC21CC1	236409914	CUQJRVDRSNMKJZ-UHFFFAOYSA-N	190.202	2.052	5	50	AEBA	
Cc1ccc([N+](=O)[O-])c(C)c1	1682072	BBUPBICWUURTNP-UHFFFAOYSA-N	151.165	2.212	5	50	AEBA	
O=C1CCCc2ccc([N+](=O)[O-])cc21	3880887	GWAQYWSNCVEJMW-UHFFFAOYSA-N	191.186	2.114	5	50	AEBA	in-vitro
O=[N+]([O-])c1cc2cc[nH]c2cc1F	219735503	ZTRIMPYGWOCLFT-UHFFFAOYSA-N	180.138	2.215	5	50	AEBA	in-vitro
[O-][n+]1c2ccccc2nc2ccccc21	3876062	FFISWZPYNKWIRR-UHFFFAOYSA-N	196.209	2.021	5	50	AEBA	
CC(=O)c1cc(C)ccc1[N+](=O)[O-]	19045633	QTVGOWDJTGISJG-UHFFFAOYSA-N	179.175	2.106	5	50	AEBA	
O=[N+]([O-])c1cncc(Cl)c1Cl	26898646	LSVPLFVLCXIYHM-UHFFFAOYSA-N	192.989	2.297	5	50	AEBA	in-vitro
O=[N+]([O-])c1cccc2c(Cl)noc12	60169731	QYZFVJOFHSZWDM-UHFFFAOYSA-N	198.565	2.389	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccnc(Cl)c1Cl	116427588	HOAXIALVXRHOOM-UHFFFAOYSA-N	192.989	2.297	5	50	AEBA	
O=[N+]([O-])c1ccc2occc2c1	330627	LPMMCJSIUVQZFD-UHFFFAOYSA-N	163.132	2.341	5	50	AEBA	in-vitro
COc1ccc(C)c(F)c1[N+](=O)[O-]	147077862	ZKAVRUWOUYFCND-UHFFFAOYSA-N	185.154	2.051	5	50	AEBA	
Cc1ccc2cccc([N+](=O)[O-])c2n1	80354	UHPGVDHXHDPYQP-UHFFFAOYSA-N	188.186	2.451	5	50	AEBA	biogenic,in-vitro
O=[N+]([O-])c1ccc2c(c1)NCCCC2	66352056	PVXOIYWWBOZBCJ-UHFFFAOYSA-N	192.218	2.343	5	50	AEBA	in-vitro
Cc1c(Cl)ccc([N+](=O)[O-])c1N	14985736	ZFPIXTGBHCYNRN-UHFFFAOYSA-N	186.598	2.139	5	50	AEBA	in-vitro
CCC[N+]1(C)CCCCC1	59581752	OGLIVJFAKNJZRE-UHFFFAOYSA-N	142.266	2.027	5	50	AEBA	in-vitro
CCC(=O)c1ccc([N+](=O)[O-])cc1	1596351	QHTSEJJUUBOESF-UHFFFAOYSA-N	179.175	2.188	5	50	AEBA	in-vitro
Cc1c(O)ccc([N+](=O)[O-])c1Cl	307503308	WBQDMPDIVOKUFW-UHFFFAOYSA-N	187.582	2.262	5	50	AEBA	
Cc1cc(C)c([N+](=O)[O-])c(Cl)n1	95347735	NZEYMNVLIWPZDW-UHFFFAOYSA-N	186.598	2.260	5	50	AEBA	in-vitro
O=[N+]([O-])c1cc(O)c(F)cc1Cl	59685133	DIIWMWNVGLVEFJ-UHFFFAOYSA-N	191.545	2.093	5	50	AEBA	
CC(C)c1c[nH]cc1[N+](=O)[O-]	139741647	UUZXWBHCTVLAON-UHFFFAOYSA-N	154.169	2.046	5	50	AEBA	
Cc1ccc([N+](=O)[O-])c(C)c1F	39133589	PWCKAUYAICHCSR-UHFFFAOYSA-N	169.155	2.351	5	50	AEBA	in-vitro
C[n+]1c2ccccc2nc2ccccc21	3860669	KBZALDXXIMXRBJ-UHFFFAOYSA-N	195.245	2.213	5	50	AEBA	in-vitro
O=[N+]([O-])c1csc2cccnc12	39236879	PZLPDVVGNDJTHK-UHFFFAOYSA-N	180.188	2.205	5	50	AEBA	in-vitro
Cc1ccc([N+](=O)[O-])c(C)c1C=O	142013369	UUDATMQRVSHPJK-UHFFFAOYSA-N	179.175	2.024	5	50	AEBA	
C[N+]1(CC2CCCC2)CCCC1	526051551	GFWQNPURDVFACO-UHFFFAOYSA-N	168.304	2.417	5	50	AEBA	
CCOc1ccc(OC)cc1[N+](=O)[O-]	196875987	ZPGYSLMPUPBSDK-UHFFFAOYSA-N	197.190	2.002	5	50	AEBA	
CCN(CC)c1ccc([N+](=O)[O-])cc1	4244740	CFPIZMWTMRWZRO-UHFFFAOYSA-N	194.234	2.441	5	50	AEBA	in-vitro
O=[N+]([O-])c1cccc(F)c1Cl	2526736	NJZSQTMICFLABM-UHFFFAOYSA-N	175.546	2.387	5	50	AEBA	in-vitro
C[N+](C)(C)CCC1C=CCC=C1	3070194	YCVAHNZFWSPVOC-UHFFFAOYSA-N	166.288	2.215	5	50	AEBA	
Cc1ccc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	1845995	XUUSVHGZGPBZLS-UHFFFAOYSA-N	196.162	2.120	5	50	AEBA	
O=[N+]([O-])c1ccc2nc(S)oc2c1	5904200	GCVNWXZRBBCASB-UHFFFAOYSA-N	196.187	2.025	5	50	AEBA	in-vitro
Cc1cc(F)cc([N+](=O)[O-])c1	19616312	IPMURRZVEWZEPP-UHFFFAOYSA-N	155.128	2.042	5	50	AEBA	in-vitro
Cn1ccc2c([N+](=O)[O-])cccc21	21989528	MGIRVUJGWSRAOV-UHFFFAOYSA-N	176.175	2.087	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc2cc[nH]c2c1	262264	PSWCIARYGITEOY-UHFFFAOYSA-N	162.148	2.076	5	50	AEBA	in-vitro
CCCOc1ncc([N+](=O)[O-])cc1C	221299255	UMKTYACTKBXVIG-UHFFFAOYSA-N	196.206	2.087	5	50	AEBA	
O=[N+]([O-])c1cc(F)c(F)c(F)c1	2565581	PTTUMBGORBMNBN-UHFFFAOYSA-N	177.081	2.012	5	50	AEBA	in-vitro
O=[N+]([O-])c1cccc(-c2ccno2)c1	2578088	RGDHTIOOORKVRQ-UHFFFAOYSA-N	190.158	2.250	5	50	AEBA	in-vitro
O=[N+]([O-])c1c[nH]c2ccccc12	14614117	LSMXNZJFLGIPMS-UHFFFAOYSA-N	162.148	2.076	5	50	AEBA	in-vitro
COc1ccc(/C=C(/C)[N+](=O)[O-])cc1	98175	XQGFRDLMKKKSAH-FPLPWBNLSA-N	193.202	2.333	5	50	AEBA	
O=[N+]([O-])c1cnc2ccccc2c1	343398	ZXVRNZRQQRBDLX-UHFFFAOYSA-N	174.159	2.143	5	50	AEBA	in-vitro
O=Cc1cc([N+](=O)[O-])ccc1Cl	1870621	VFVHWCKUHAEDMY-UHFFFAOYSA-N	185.566	2.061	5	50	AEBA	in-vitro
C[C@H](c1ccccc1)[N+](C)(C)C	2003478	RLGJGURRNUODBC-SNVBAGLBSA-N	164.272	2.454	5	50	AEBA	
C/C(=C\c1ccccc1)[N+](=O)[O-]	4524372	WGSVFWFSJDAYBM-BQYQJAHWSA-N	163.176	2.324	5	50	AEBA	biogenic,in-vitro
O=[N+]([O-])c1ccc(F)cc1NC1CC1	52119058	GHQAEBACHMXJQB-UHFFFAOYSA-N	196.181	2.308	5	50	AEBA	in-vitro
CC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	21992393	PUUYGMZERWRIDS-UHFFFAOYSA-N	199.593	2.451	5	50	AEBA	in-vitro
CCOc1cccc(OC)c1[N+](=O)[O-]	261494400	WNWYEFINMOBJTL-UHFFFAOYSA-N	197.190	2.002	5	50	AEBA	
COc1ccc(Cl)cc1[N+](=O)[O-]	1586743	OSAYFGJUEOYRHY-UHFFFAOYSA-N	187.582	2.257	5	50	AEBA	in-vitro
CCOc1cccc(F)c1[N+](=O)[O-]	54268893	QPCBMQYUILGWJC-UHFFFAOYSA-N	185.154	2.133	5	50	AEBA	in-vitro
Cn1c([N+](=O)[O-])cc2ccccc21	38338592	QDNLHHNZQKBDCN-UHFFFAOYSA-N	176.175	2.087	5	50	AEBA	
O=[N+]([O-])c1cc(F)c(F)cc1F	1706149	ROJNMGYMBLNTPK-UHFFFAOYSA-N	177.081	2.012	5	50	AEBA	in-vitro
Cc1ccc([N+](=O)[O-])c(F)c1C	2541348	FBALYFOBRZLOET-UHFFFAOYSA-N	169.155	2.351	5	50	AEBA	
O=[N+]([O-])c1ccc(-n2cccc2)cc1	138289	PWCFKNYSCGRNRW-UHFFFAOYSA-N	188.186	2.386	5	50	AEBA	in-vitro
O=c1c2ccccc2oc2ncccc12	150805	KWFWIGXYOMVRSA-UHFFFAOYSA-N	197.193	2.341	5	50	AEBA	in-vitro
O=c1c2ccccc2cc2ccccn12	1564580	ZVBAUAXBXPSCCK-UHFFFAOYSA-N	195.221	2.453	5	50	AEBA	
Cc1noc2ccc([N+](=O)[O-])cc12	85210669	PQLIRZDJBWDLOU-UHFFFAOYSA-N	178.147	2.044	5	50	AEBA	in-vitro
CC[N@@+]1(C)CCCC[C@@H]1C	605723727	AAVHECBNSNZYLZ-UWVGGRQHSA-N	142.266	2.025	5	50	AEBA	
O=[N+]([O-])/C=C/c1ccccc1F	1688697	NKZSNHAEWKEFNE-AATRIKPKSA-N	167.139	2.073	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc(-c2ncco2)cc1	12958182	XHBVYYMFLQGIJX-UHFFFAOYSA-N	190.158	2.250	5	50	AEBA	in-vitro
O=[N+]([O-])c1c(F)ccc(F)c1F	33506637	FJIILSCVSZJKCV-UHFFFAOYSA-N	177.081	2.012	5	50	AEBA	
Cc1ccc2ncccc2c1[N+](=O)[O-]	133186	CENBTULRDDPOGR-UHFFFAOYSA-N	188.186	2.451	5	50	AEBA	
Cc1cccc([N+](=O)[O-])c1C	1680889	FVHAWXWFPBPFOS-UHFFFAOYSA-N	151.165	2.212	5	50	AEBA	in-vitro
COc1ccc([N+](=O)[O-])cc1Cl	162396	DLJPNXLHWMRQIQ-UHFFFAOYSA-N	187.582	2.257	5	50	AEBA	in-vitro
O=[N+]([O-])c1cc(Cl)nc(Cl)c1	4110201	BZYQSSVTQJTUDD-UHFFFAOYSA-N	192.989	2.297	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc2[nH]ncc2c1Cl	5543818	AXZCWGUWGPLXOR-UHFFFAOYSA-N	197.581	2.125	5	50	AEBA	in-vitro
CC(=O)c1cc([N+](=O)[O-])ccc1Cl	1420511	PNXVQYABDFYOFY-UHFFFAOYSA-N	199.593	2.451	5	50	AEBA	in-vitro
O=[n+]1[nH]c2ccccc2c2ccccc21	136613933	BPJOIQNIVPIORM-UHFFFAOYSA-N	197.217	2.236	5	50	AEBA	
CC[C@@H]1CCCC[N@+]1(C)CC	606422355	UIQHUHPIRRYLDE-MNOVXSKESA-N	156.293	2.415	5	50	AEBA	
Nc1cccc2c([N+](=O)[O-])cccc12	4365687	WEWILNPCZSSAIJ-UHFFFAOYSA-N	188.186	2.330	5	50	AEBA	
O=[N+]([O-])c1cccc(OCC2CC2)c1	165175903	WCXXWGOVYMJVPM-UHFFFAOYSA-N	193.202	2.384	5	50	AEBA	
CCNc1ccccc1[N+](=O)[O-]	4520873	CQIKVOWCSGXCCG-UHFFFAOYSA-N	166.180	2.027	5	50	AEBA	in-vitro
CC[C@H]1CCCC[N@+]1(C)CC	606422356	UIQHUHPIRRYLDE-QWRGUYRKSA-N	156.293	2.415	5	50	AEBA	
CC[N@+]1(C)C[C@@H](C)C[C@@H](C)C1	255994631	PLABWEYBNUBTTM-URLYPYJESA-N	156.293	2.129	5	50	AEBA	
O=[N+]([O-])c1cccc2[nH]ccc12	82985	LAVZKLJDKGRZJG-UHFFFAOYSA-N	162.148	2.076	5	50	AEBA	in-vitro
CNc1cc(C)sc1[N+](=O)[O-]	596052032	YRJCGPKBCMASTE-UHFFFAOYSA-N	172.209	2.006	5	50	AEBA	
Cc1cc([N+](=O)[O-])cnc1OC(C)C	261494392	WKHYJXNOZOQBBN-UHFFFAOYSA-N	196.206	2.085	5	50	AEBA	
CCOc1cc(C)cc([N+](=O)[O-])c1	77951590	ZMGTUCAPQJXTQI-UHFFFAOYSA-N	181.191	2.302	5	50	AEBA	
CCOc1cccc([N+](=O)[O-])c1F	261494413	WZJVAUJPHRCEFC-UHFFFAOYSA-N	185.154	2.133	5	50	AEBA	
CCCCNc1ccc([N+](=O)[O-])cn1	20016209	AFJQLCOKPDRRAN-UHFFFAOYSA-N	195.222	2.202	5	50	AEBA	in-vitro
COCc1cccc(C)c1[N+](=O)[O-]	138973495	BQIMPVXDQJPIOP-UHFFFAOYSA-N	181.191	2.050	5	50	AEBA	
Cc1c(F)cc([N+](=O)[O-])cc1F	2243128	QRGQSKODTJDDHT-UHFFFAOYSA-N	173.118	2.181	5	50	AEBA	in-vitro
COc1cc([N+](=O)[O-])c(C)cc1F	96304874	SLHIHMKCWVOTOZ-UHFFFAOYSA-N	185.154	2.051	5	50	AEBA	in-vitro
CSc1ccc([N+](=O)[O-])c(F)c1	90556928	PXQUZZSEHGFNQU-UHFFFAOYSA-N	187.195	2.456	5	50	AEBA	in-vitro
CCOc1ccc([N+](=O)[O-])c(F)c1	12471368	KTAIPPBHURYBBF-UHFFFAOYSA-N	185.154	2.133	5	50	AEBA	in-vitro
CCCOc1ccc([N+](=O)[O-])cc1	2584491	AWOXUNCNGSHHSP-UHFFFAOYSA-N	181.191	2.384	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccccc1OC(F)F	2559324	VICWTNGFGCVEHT-UHFFFAOYSA-N	189.117	2.196	5	50	AEBA	in-vitro
Cc1cc([N+](=O)[O-])ccc1F	164598	XUCYJGMIICONES-UHFFFAOYSA-N	155.128	2.042	5	50	AEBA	in-vitro
Cc1cnc(OC(C)C)c([N+](=O)[O-])c1	238165443	HEXOCZBQHDNAFM-UHFFFAOYSA-N	196.206	2.085	5	50	AEBA	
Cc1cccc(C)c1[N+](=O)[O-]	1700198	HDFQKJQEWGVKCQ-UHFFFAOYSA-N	151.165	2.212	5	50	AEBA	
CC(C)NCc1cccc([N+](=O)[O-])c1	4685550	WKELDPMQVANRBL-UHFFFAOYSA-N	194.234	2.093	5	50	AEBA	
Cc1cc(F)c(F)c([N+](=O)[O-])c1	64220100	ISWPRFDMJAWGIR-UHFFFAOYSA-N	173.118	2.181	5	50	AEBA	
CC1(C)CNc2ccc([N+](=O)[O-])cc21	66054688	LXTLKHUVYJTEDP-UHFFFAOYSA-N	192.218	2.298	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc(O)c2c1CCCC2	230614597	GIMKNXMOFYSDLP-UHFFFAOYSA-N	193.202	2.179	5	50	AEBA	
Cn1ccc2cc([N+](=O)[O-])ccc21	4272216	PXBQSCHRKSBGKV-UHFFFAOYSA-N	176.175	2.087	5	50	AEBA	
CC(C)(C)c1ccc(N)cc1[N+](=O)[O-]	1675823	KGBIPCNLIXXUQA-UHFFFAOYSA-N	194.234	2.475	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc(-c2cocn2)cc1	22000321	STSISQMFQWBGLZ-UHFFFAOYSA-N	190.158	2.250	5	50	AEBA	
Cc1ccc(C)c([N+](=O)[O-])c1	1687029	BSFHJMGROOFSRA-UHFFFAOYSA-N	151.165	2.212	5	50	AEBA	in-vitro
O=[N+]([O-])c1coc2ccccc12	39136385	KWSVKHNOGGEYAO-UHFFFAOYSA-N	163.132	2.341	5	50	AEBA	
Cc1cc(C)cc([N+](=O)[O-])c1	1686925	BYFNZOKBMZKTSC-UHFFFAOYSA-N	151.165	2.212	5	50	AEBA	
O=[N+]([O-])c1ccccc1-c1cnco1	143271	PUDNRGZVFKPHNG-UHFFFAOYSA-N	190.158	2.250	5	50	AEBA	in-vitro
O=[N+]([O-])c1cc(O)c(F)c(Cl)c1	306603375	MLMASDVKWUWQEW-UHFFFAOYSA-N	191.545	2.093	5	50	AEBA	
O=[N+]([O-])c1ccc2cccnc2c1	332644	MXKZSCXYMSXOAO-UHFFFAOYSA-N	174.159	2.143	5	50	AEBA	in-vitro
Cc1c([N+](=O)[O-])ccc(F)c1F	22113088	ODMLBEQUDLHJMW-UHFFFAOYSA-N	173.118	2.181	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C[C@@H]3[C@H]2[C@H]31	247361162	DXHMVSFAENACAT-VLEAKVRGSA-N	187.198	2.425	5	50	AEBA	
Cc1cc(F)cc(C)c1[N+](=O)[O-]	2540885	KDPQDERPJHLWGF-UHFFFAOYSA-N	169.155	2.351	5	50	AEBA	in-vitro
O=c1[nH]cnc2cc3ccccc3cc12	2547017	DNFQXWHQGPGKGQ-UHFFFAOYSA-N	196.209	2.076	5	50	AEBA	in-vitro
CC(C)Oc1ccc([N+](=O)[O-])c(O)c1	169725144	FTVBULCXIBJLDX-UHFFFAOYSA-N	197.190	2.088	5	50	AEBA	
Cc1c(Cl)cc(N)cc1[N+](=O)[O-]	26508617	JXMMZJRYSNPTMW-UHFFFAOYSA-N	186.598	2.139	5	50	AEBA	in-vitro
CCC[N@+]1(C)CC[C@H]2CCC[C@H]21	1857797668	DTBVBLOOHLUHBE-IJLUTSLNSA-N	168.304	2.415	5	50	AEBA	
CC(=O)Cc1ccc(C)cc1[N+](=O)[O-]	35260509	ACLPRWHHZSVIRR-UHFFFAOYSA-N	193.202	2.035	5	50	AEBA	in-vitro
O=[N+]([O-])c1cccc2c1[C@H]1[C@@H]3[C@H]2C[C@H]31	247404209	OCVSRBZKAZIWQV-NONSRLQASA-N	187.198	2.425	5	50	AEBA	
C/C(=C/c1ccccc1)[N+](=O)[O-]	78163	WGSVFWFSJDAYBM-FPLPWBNLSA-N	163.176	2.324	5	50	AEBA	
O=[N+]([O-])c1ccc2ccccc2c1O	35052388	MUCCHGOWMZTLHK-UHFFFAOYSA-N	189.170	2.454	5	50	AEBA	in-vitro
Cc1c(F)cccc1[N+](=O)[O-]	1706175	GXPIVRKDWZKIKZ-UHFFFAOYSA-N	155.128	2.042	5	50	AEBA	in-vitro
[C-]#[N+]c1cc([N+](=O)[O-])ccc1C	95851608	ZNGHGSVYBZGDJE-UHFFFAOYSA-N	162.148	2.454	5	50	AEBA	in-vitro
[C-]#[N+]c1ccc([N+](=O)[O-])cc1OC	95851610	VDKINYWOFNMGRL-UHFFFAOYSA-N	178.147	2.154	5	50	AEBA	in-vitro
Cc1ccc(F)cc1[N+](=O)[O-]	1690427	SKWTUNAAJNDEIK-UHFFFAOYSA-N	155.128	2.042	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccccc1Cl	331636	BFCFYVKQTRLZHA-UHFFFAOYSA-N	157.556	2.248	5	50	AEBA	in-vitro
C/C(=C\c1ccc(F)cc1)[N+](=O)[O-]	4695275	VOAXWARMFBBINZ-VOTSOKGWSA-N	181.166	2.463	5	50	AEBA	
CC[C@H]1CCC[N@+]1(C)CC	822722740	DAGXQCDJGBETKF-UWVGGRQHSA-N	142.266	2.025	5	50	AEBA	
CC[N@@+]1(C)CCCC[C@H]1C	605723729	AAVHECBNSNZYLZ-ZJUUUORDSA-N	142.266	2.025	5	50	AEBA	
CCCNCc1ccc([N+](=O)[O-])cc1	2170275	DYKOXJZUSIQXJS-UHFFFAOYSA-N	194.234	2.094	5	50	AEBA	in-vitro
C[N+]1(C)C=Cc2ccccc2C1	4789477	TZXYGMXCDFOUQN-UHFFFAOYSA-N	160.240	2.247	5	50	AEBA	
O=[N+]([O-])c1cccc2ncccc12	331720	NDDZXHOCOKCNBM-UHFFFAOYSA-N	174.159	2.143	5	50	AEBA	in-vitro
O=[N+]([O-])c1cnc2c(c1)CCCCC2	38973865	VWVCKAQKUQSCGW-UHFFFAOYSA-N	192.218	2.259	5	50	AEBA	
CC1(C)Nc2ccc([N+](=O)[O-])cc2N1	258024450	IYUOFAVVFMXUTL-UHFFFAOYSA-N	193.206	2.168	5	50	AEBA	
Cc1cc(F)cc([N+](=O)[O-])c1C	43220649	SRKOJRWSFHYMMT-UHFFFAOYSA-N	169.155	2.351	5	50	AEBA	in-vitro
CCCC[N+]1(C)CCCCC1	3124675	UVCPHBWNKAXVPC-UHFFFAOYSA-N	156.293	2.417	5	50	AEBA	in-vitro
CC[C@@H]1CCC[N@@+]1(C)CC	822722739	DAGXQCDJGBETKF-NXEZZACHSA-N	142.266	2.025	5	50	AEBA	
O=Cc1sc([N+](=O)[O-])cc1Cl	1857786212	BSCCHMGRUCAMSE-UHFFFAOYSA-N	191.595	2.122	5	50	AEBA	
O=[N+]([O-])c1ccc(F)c(F)c1F	1845704	ARCACZWMYGILNI-UHFFFAOYSA-N	177.081	2.012	5	50	AEBA	in-vitro
CSc1cccc([N+](=O)[O-])c1	1684594	GBGVXOUUXAIELM-UHFFFAOYSA-N	169.205	2.317	5	50	AEBA	in-vitro
CC(C)(C)c1ccc(N)c([N+](=O)[O-])c1	4113984	YXTJXBPEGJNGKV-UHFFFAOYSA-N	194.234	2.475	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C[C@@H]3[C@H]2[C@@H]31	247361170	DXHMVSFAENACAT-ZRUFSTJUSA-N	187.198	2.425	5	50	AEBA	
CC(C)N(C)c1ccccc1[N+](=O)[O-]	145314166	AYTXXXYJGCJQKX-UHFFFAOYSA-N	194.234	2.439	5	50	AEBA	in-vitro
CNc1ccc([N+](=O)[O-])cc1Cl	20548548	XAAAOEAESNGEFK-UHFFFAOYSA-N	186.598	2.290	5	50	AEBA	
Cc1cc([N+](=O)[O-])c(N)cc1Cl	4284009	BBWHBSDZHSQECL-UHFFFAOYSA-N	186.598	2.139	5	50	AEBA	in-vitro
O=[N+]([O-])c1sc(Cl)nc1Cl	19841416	UNWUPQUTAGSGOA-UHFFFAOYSA-N	199.018	2.358	5	50	AEBA	in-vitro
CCCNc1ccc([N+](=O)[O-])cc1	4774648	MROWFEAYAXMMRD-UHFFFAOYSA-N	180.207	2.417	5	50	AEBA	
O=[N+]([O-])c1coc2ccc(O)cc12	165391	ZQPBTBWGCWHIGU-UHFFFAOYSA-N	179.131	2.047	5	50	AEBA	in-vitro
Cc1cc([N+](=O)[O-])cc(Cl)c1N	3884498	HVPVUAIKGOKEEE-UHFFFAOYSA-N	186.598	2.139	5	50	AEBA	in-vitro
CCN(CC)c1cccc([N+](=O)[O-])c1	1841369	QSNHMSRICSDACJ-UHFFFAOYSA-N	194.234	2.441	5	50	AEBA	
Nc1ccc2cc([N+](=O)[O-])ccc2c1	2508014	LNYJXDMWSMEVGQ-UHFFFAOYSA-N	188.186	2.330	5	50	AEBA	
CCOc1cc(F)ccc1[N+](=O)[O-]	12471351	LEMJFSSYFHTFFP-UHFFFAOYSA-N	185.154	2.133	5	50	AEBA	in-vitro
O=[N+]([O-])c1ccc(Cl)cc1F	1845796	PTCPUGKKWNMITF-UHFFFAOYSA-N	175.546	2.387	5	50	AEBA	in-vitro
C[N+](C)(C)Cc1c[nH]c2ccccc12	401632	IPYNIQBMIIXLIG-UHFFFAOYSA-N	189.282	2.374	5	50	AEBA	
C1CC[N+]2(CC1)CCCCC2	1706211	HOTNVZSJGHTWIU-UHFFFAOYSA-N	154.277	2.171	5	50	AEBA	
Cc1cnc(NC(C)C)c([N+](=O)[O-])c1	39956540	GKEAGKLNHIWCRC-UHFFFAOYSA-N	195.222	2.119	5	50	AEBA	in-vitro
O=[N+]([O-])c1cc(Cl)c(F)cc1O	40448119	MCCVRPMINWUWOS-UHFFFAOYSA-N	191.545	2.093	5	50	AEBA	in-vitro
CC(C)c1cncc([N+](=O)[O-])c1	39104144	YAVLACOHVXDOBS-UHFFFAOYSA-N	166.180	2.113	5	50	AEBA	in-vitro
CCOCc1ccc([N+](=O)[O-])cc1	139252877	BBRDAWBCVYMDPW-UHFFFAOYSA-N	181.191	2.131	5	50	AEBA	
CSc1ccc([N+](=O)[O-])cc1F	39956891	IMUMBNWZBYRJRU-UHFFFAOYSA-N	187.195	2.456	5	50	AEBA	
C[N+](C)(C)CC=C1C=CCC=C1	3070197	XVHCAWYMMJMPKJ-UHFFFAOYSA-N	164.272	2.135	5	50	AEBA	
O=[N+]([O-])c1ccc(N2CCCC2)cc1	3883127	IXQSJUBRGIJRCV-UHFFFAOYSA-N	192.218	2.195	5	50	AEBA	in-vitro
Cc1cn(C)c2ccc([N+](=O)[O-])cc12	5331157	IVVOAOAJIGWRHG-UHFFFAOYSA-N	190.202	2.395	5	50	AEBA	
CCc1ccc(C(C)=O)cc1[N+](=O)[O-]	71602590	HKCVUYSKKYLQGG-UHFFFAOYSA-N	193.202	2.360	5	50	AEBA	
CCCCCC[N+](C)(C)C	1627245	XTPRURKTXNFVQT-UHFFFAOYSA-N	144.282	2.273	5	50	AEBA	in-vivo
CC[N@+]1(C)CCCC[C@@H]1C	605723728	AAVHECBNSNZYLZ-VHSXEESVSA-N	142.266	2.025	5	50	AEBA	
CC1(C)Oc2ccc([N+](=O)[O-])cc2O1	122555	XCEHELWIDYNWCU-UHFFFAOYSA-N	195.174	2.102	5	50	AEBA	in-vitro
CCc1ccc([N+](=O)[O-])cc1	1587641	RESTWAHJFMZUIZ-UHFFFAOYSA-N	151.165	2.157	5	50	AEBA	
COc1cccc(Cl)c1[N+](=O)[O-]	1652213	JFDFFRYBIFYDKP-UHFFFAOYSA-N	187.582	2.257	5	50	AEBA	in-vitro
O=[N+]([O-])c1cccc2[nH]nc(Cl)c12	14985937	GUGAGLJJSMABRQ-UHFFFAOYSA-N	197.581	2.125	5	50	AEBA	in-vitro
COc1cc([N+](=O)[O-])ccc1[N+]#N	5999182	QCONCWPZAHEPSP-UHFFFAOYSA-N	180.143	2.088	5	50	AEBA	in-vitro
O=Cc1cccc(Cl)c1[N+](=O)[O-]	39190619	WKHILFGJMAXBNZ-UHFFFAOYSA-N	185.566	2.061	5	50	AEBA	in-vitro
COc1ccc([N+](=O)[O-])c(C)c1C	2567945	DUBFMQLUMHKYOX-UHFFFAOYSA-N	181.191	2.220	5	50	AEBA	in-vitro
O=Cc1ccc([N+](=O)[O-])cc1Cl	1715835	GVBXZIANHMNKAK-UHFFFAOYSA-N	185.566	2.061	5	50	AEBA	in-vitro
Cc1cc(O)c(C)c(C)c1[N+](=O)[O-]	39603501	QOCJGBIUCNTAJZ-UHFFFAOYSA-N	181.191	2.226	5	50	AEBA	
COCc1c(C)cccc1[N+](=O)[O-]	1535472831	IZUNBHDJFCIZMU-UHFFFAOYSA-N	181.191	2.050	5	50	AEBA