smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)NCc1c(S(=O)(=O)Cl)cnn1C	103634866	BMKJWRAWGDQGGV-UHFFFAOYSA-N	251.695	-0.016	70	30	CBIC	
CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)Cl)C1	334163909	XLTLUHCBFIGCEO-ZCFIWIBFSA-N	261.752	-0.164	70	30	CBIC	
COc1ccc(B(O)OB(O)c2ccc(OC)cc2)cc1	223686863	VOPKVANYTWXNOQ-UHFFFAOYSA-N	285.901	-0.204	70	30	CBIC	
Cn1c(=O)c2cc(S(=O)(=O)Cl)cnc2n(C)c1=O	100612846	OHOWJILXMPMPGH-UHFFFAOYSA-N	289.700	-0.440	70	30	CBIC	in-vitro
O=c1[nH]c(=O)c2cc(S(=O)(=O)Cl)cnc2[nH]1	100651110	QUOKVTMCGVIFQC-UHFFFAOYSA-N	261.646	-0.461	70	30	CBIC	
CS(=O)(=O)N1CCN(S(=O)(=O)Cl)CC1	100655384	GRBIWZOPWQAQCY-UHFFFAOYSA-N	262.740	-0.953	70	30	CBIC	
CS(=O)(=O)N1CC[C@H](CS(=O)(=O)Cl)C1	334163908	XLTLUHCBFIGCEO-LURJTMIESA-N	261.752	-0.164	70	30	CBIC