smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=[N+]([O-])c1ccc2c(c1)sc1ccccc12	6117868	ZPEZGWPZHITXSF-UHFFFAOYSA-N	229.260	3.963	5	30	BHBC	
COc1cccc2ccc3cc([N+](=O)[O-])oc3c12	6019202	MPRZYNNQNGHENF-UHFFFAOYSA-N	243.218	3.503	5	30	BHBC	
O=c1c2ccccc2oc2cc(Cl)ccc12	4300854	LEUJIOLEGDAICX-UHFFFAOYSA-N	230.650	3.600	5	30	BHBC	
O=[N+]([O-])c1ccc(Cl)c2nc(Cl)sc12	39235241	WHTLBRHYORVOHB-UHFFFAOYSA-N	249.078	3.511	5	30	BHBC	
CCN1c2cc([N+](=O)[O-])ccc2[C@H](C)CC1(C)C	5139668	GKVIDQNXFZSJIB-SNVBAGLBSA-N	248.326	3.707	5	30	BHBC	
c1cc2cccc3c2c(c1)nc1sccn13	6094970	REQVZRKHAMNPCW-UHFFFAOYSA-N	224.288	3.702	5	30	BHBC	
CC(C)(C)c1cc2cc([N+](=O)[O-])c(F)cc2[nH]1	71625032	IVMMPLNJIJIRPW-UHFFFAOYSA-N	236.246	3.513	5	30	BHBC	
O=[N+]([O-])c1cc(Cl)c2nc(Cl)sc2c1	14985098	OORXGIZVASUBRI-UHFFFAOYSA-N	249.078	3.511	5	30	BHBC	
CC(C)(C)Sc1ccc([N+](=O)[O-])cc1F	75667348	GWROXQPBGHVJKU-UHFFFAOYSA-N	229.276	3.625	5	30	BHBC	
O=[N+]([O-])c1ccsc1Sc1cccs1	149558	IGOGLIXNUNYOHW-UHFFFAOYSA-N	243.334	3.869	5	30	BHBC	
c1cc2ccc3cccc4ncc(c1)c2c34	2040928	YEELFSTYCPPLQY-UHFFFAOYSA-N	203.244	3.979	5	30	BHBC	biogenic
O=[N+]([O-])c1ccc2c(c1)Nc1ccccc1S2	139451795	DVFXVHJBHVWHSW-UHFFFAOYSA-N	244.275	3.803	5	30	BHBC	
O=[N+]([O-])c1cccc(-c2ccc(F)cc2F)c1	2265382658	UJKWBFQBCMBNJA-UHFFFAOYSA-N	235.189	3.540	5	30	BHBC	
O=[N+]([O-])c1ccc2c(ccc3ccccc32)c1	2018212	PYZVVHPEDWRKME-UHFFFAOYSA-N	223.231	3.901	5	30	BHBC	
O=[N+]([O-])c1ccc2[nH]cc(-c3ccccc3)c2c1	32263858	DCNCQDFYTMGSMZ-UHFFFAOYSA-N	238.246	3.743	5	30	BHBC	
CCN1c2cc([N+](=O)[O-])ccc2[C@@H](C)CC1(C)C	5139669	GKVIDQNXFZSJIB-JTQLQIEISA-N	248.326	3.707	5	30	BHBC	
Oc1ccc2oc3cccc4ccc1c2c43	33986349	XKJNJRVYEQGWFF-UHFFFAOYSA-N	208.216	3.883	5	30	BHBC	
O=[N+]([O-])c1cnc2ccc(C3CC3)cc2c1Cl	584881799	BHXAMAATXDBDCX-UHFFFAOYSA-N	248.669	3.674	5	30	BHBC	
O=[N+]([O-])c1cc(C(F)(F)Cl)ccc1Cl	689666250	YFYREMOEXRTIDO-UHFFFAOYSA-N	242.008	3.536	5	30	BHBC	
Cc1c(-c2ccccc2)cccc1[N+](=O)[O-]	39039905	BSPMDCBDVJZVMF-UHFFFAOYSA-N	213.236	3.570	5	30	BHBC	
Cc1ccccc1-c1ccc([N+](=O)[O-])cc1	2010239	CVZLYJUYMKUYCZ-UHFFFAOYSA-N	213.236	3.570	5	30	BHBC	
O=[N+]([O-])c1cccc2ccc3ccccc3c12	2569371	JMKUZZRDJVZRQZ-UHFFFAOYSA-N	223.231	3.901	5	30	BHBC	
CC(C)(C)c1ccc(-n2cccc2)c([N+](=O)[O-])c1	140741	BLKRKGNQYLNLKP-UHFFFAOYSA-N	244.294	3.683	5	30	BHBC	
O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3CC[C@H]2C3)cc1	102932752	DZGJTSIOKBTRJP-UHIISALHSA-N	247.294	3.552	5	30	BHBC	
Cc1ccc2ccc3c(C)cc(C)nc3c2n1	221512015	DPPITTQLRYUZEJ-UHFFFAOYSA-N	222.291	3.708	5	30	BHBC	
COc1cc2oc3ccccc3c2cc1[N+](=O)[O-]	33606135	OUSHYUBESLWFNA-UHFFFAOYSA-N	243.218	3.503	5	30	BHBC	
c1ccc2c(c1)ccc1nc3ccccc3n12	21996805	QQYLPRKCBLKCJM-UHFFFAOYSA-N	218.259	3.641	5	30	BHBC	
COc1ccc2cc([N+](=O)[O-])oc3cccc1c23	1846962	DNZYLXTVVJFKQE-UHFFFAOYSA-N	243.218	3.503	5	30	BHBC	
O=[N+]([O-])c1ccc(NCC2CCCCC2)cc1	37247310	GPNSPRXIQQWPAE-UHFFFAOYSA-N	234.299	3.587	5	30	BHBC	
O=[N+]([O-])/C=C/c1cccc(Oc2ccccc2)c1	103596	HCABRSGOYONOEJ-MDZDMXLPSA-N	241.246	3.726	5	30	BHBC	
O=[N+]([O-])c1ccc(O[C@H]2CC[C@H]3CC[C@H]2C3)cc1	102932755	DZGJTSIOKBTRJP-SUNKGSAMSA-N	247.294	3.552	5	30	BHBC	
CCCC[N+](CCC)(CCC)CCC	1998781	CIFCGXKXFRLSAF-UHFFFAOYSA-N	200.390	3.833	5	30	BHBC	
CCCCCCCCCCC[C@H](O)C[N+](=O)[O-]	100302779	FWVFEWHEOYAZDQ-ZDUSSCGKSA-N	245.363	3.545	5	30	BHBC	
Oc1ccc2ccc3c(O)ccc4ccc1c2c43	11026993	RQJSAJJBBSJUFF-UHFFFAOYSA-N	234.254	3.995	5	30	BHBC	in-vitro
O=[N+]([O-])c1c(Cl)ccc2sc(Cl)nc12	1554770396	AZKSOPCCDWGCJD-UHFFFAOYSA-N	249.078	3.511	5	30	BHBC	
O=[N+]([O-])c1cc2c3c(ccc4cccc(c43)CC2)c1	6094671	PFJHRZVXVLINNE-UHFFFAOYSA-N	249.269	4.000	5	30	BHBC	
CC(C)(C)Sc1c(F)cc([N+](=O)[O-])cc1F	238852810	HFKOZPDPMIQBDK-UHFFFAOYSA-N	247.266	3.764	5	30	BHBC	
CCCCCCCCCCC[C@@H](O)C[N+](=O)[O-]	100302782	FWVFEWHEOYAZDQ-CYBMUJFWSA-N	245.363	3.545	5	30	BHBC	
CC(C)(C)c1cc2c(F)c([N+](=O)[O-])ccc2[nH]1	71625037	CLIWUFBUJSJAFM-UHFFFAOYSA-N	236.246	3.513	5	30	BHBC	
O=[N+]([O-])c1cc(Cl)c(O)c(C2CCCC2)c1	38615251	HDCOPLJVLHIPBO-UHFFFAOYSA-N	241.674	3.611	5	30	BHBC	
CC(=O)Nc1cc2ccccc2c2ccccc12	1595235	WFBZMYPAVBCTCU-UHFFFAOYSA-N	235.286	3.951	5	30	BHBC	
O=[N+]([O-])c1ccccc1C1CCCCC1	1677081	MKINGJJRCVBTRI-UHFFFAOYSA-N	205.257	3.643	5	30	BHBC	
c1ccc2c(c1)ncc1c3ccccc3ncc21	32255896	SZHOANKNVRPRGI-UHFFFAOYSA-N	230.270	3.936	5	30	BHBC	in-vitro
O=[N+]([O-])c1ccccc1NCC1CCCCC1	37247300	WEYHQUATIMAMPA-UHFFFAOYSA-N	234.299	3.587	5	30	BHBC	
Cc1cccc2c(=O)c3ccccc3sc12	13779770	IXBNDVAWTMCRPT-UHFFFAOYSA-N	226.300	3.723	5	30	BHBC	
CC1(C)CCC(C)(C)c2cc([N+](=O)[O-])ccc21	34202831	ZABFOFGWNHHHOO-UHFFFAOYSA-N	233.311	3.944	5	30	BHBC