CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Metabo Smiles
55-98-1	Myleran	CS(=O)(=O)OCCCCOS(C)(=O)=O	in vitro CA positive	in vitro CA positive	CS(=O)(=O)OCCCCOS(C)(=O)=O
62-50-0	Ethyl Methanesulfonate	CCOS(C)(=O)=O	in vitro CA positive	in vitro CA positive	CCOS(C)(=O)=O
66-27-3	Methyl Methanesulfonate	COS(C)(=O)=O	in vitro CA positive	in vitro CA positive	COS(C)(=O)=O
1120-71-4	1,2-oxathiolane,_2,2-dioxide	O=S1(=O)CCCO1	in vitro CA positive	in vitro CA positive	O=S1(=O)CCCO1
64-67-5	Diethyl sulfate	CCOS(=O)(=O)OCC	in vitro CA positive	in vitro CA positive	CCOS(=O)(=O)OCC
77-78-1	Dimethyl sulfate	COS(=O)(=O)OC	in vitro CA positive	in vitro CA positive	COS(=O)(=O)OC