CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Metabo Smiles	Reference
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; CN(C)C(S)=S	Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan
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; CN(C)C(=S)SSC(=S)N(C)C; CN(C)C(S)=S	Mosesso, P., G. Turchi, S. Cinelli, D. Di Chiara, M. Fiore, F. Palitti, Clastogenic Effects of the Dithiocarbamate Fungicides Thiram and Ziram in Chinese Hamster Cell Lines Cultured In Vitro, Teratog. Carcinog. Mutagen. 14 (1994), 145 – 155