CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Metabo Smiles
137-26-8	tetramethylthioperoxydicarbonicdiamide	CN(C)C(=S)SSC(=S)N(C)C	in vitro CA negative	in vitro CA positive	CN(C)C(=S)SSC(=S)N(C)C
137-30-4	Ziram	CN(C)C(=S)S{-}.[Zn]{2+}.S{-}C(=S)N(C)C	in vitro CA positive	in vitro CA positive	CN(C)C(=S)S{-}.[Zn]{2+}.S{-}C(=S)N(C)C