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 negative	CN(C)C(S)=S
111-88-6	1-octanethiol	CCCCCCCCS	in vitro CA negative	in vitro CA negative	CCCCCCCCS
882-33-7	Phenyl Disulfide	c1ccccc1SSc1ccccc1	in vitro CA negative	in vitro CA negative	Sc1ccccc1
137-30-4	Ziram	CN(C)C(=S)S{-}.[Zn]{2+}.S{-}C(=S)N(C)C	in vitro CA positive	in vitro CA negative	CN(C)C(S)=S
12427-38-2	maneb	SC(=S)NCCNC(S)=S	in vitro CA positive	in vitro CA negative	SC(=S)NCCNC(S)=S
52-89-1	L-Cysteine hydrochloride	Cl_NC{P-}(CS)C(O)=O	in vitro CA positive	in vitro CA positive	NC{P-}(CS)C(O)=O