smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COCCOCCCn1c(=O)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O	31350774	SOYBSGQXDYYMDH-UHFFFAOYSA-N	423.425	0.482	5	30	HCBC	
O=[N+]([O-])c1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12	22005230	ZMNKDHWBVMYLLC-UHFFFAOYSA-N	413.363	0.488	5	30	HCBC	
COc1nc(NC(=O)NC(=O)c2c(OC)ccc([N+](=O)[O-])c2OC)nc(OC)n1	8626765	FQJMDNMHCGECTK-UHFFFAOYSA-N	408.327	0.776	5	30	HCBC	
C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)CCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	104847550	XDHINOKUFIKUSO-HUUCEWRRSA-P	420.503	0.342	5	30	HCBC	
COc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])c1c(N)n(C)c(=O)n(C)c1=O	1046168	KQOJXFHOZKESCN-SNVBAGLBSA-N	413.228	0.846	5	30	HCBC	
C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)CCCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C	104847545	XDHINOKUFIKUSO-GJZGRUSLSA-P	420.503	0.342	5	30	HCBC	
COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)n1C	19834734	HGUSPEBCQHTZAD-UHFFFAOYSA-N	409.424	0.626	5	30	HCBC	
C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)CCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	104847540	XDHINOKUFIKUSO-GASCZTMLSA-P	420.503	0.342	5	30	HCBC	
COc1ccc(Br)cc1[C@H](C[N+](=O)[O-])c1c(N)n(C)c(=O)n(C)c1=O	1046167	KQOJXFHOZKESCN-JTQLQIEISA-N	413.228	0.846	5	30	HCBC