CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Metabo Smiles	Reference
77439-76-0	3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone	OC1C(C(Cl)Cl)=C(Cl)C(=O)O1	in vitro CA positive	in vitro CA positive	OC1C(C(Cl)Cl)=C(Cl)C(=O)O1; OC1C(CCl)=C(Cl)C(=O)O1	Matsumura, H., Watanabe, M., Matsumoto, K. And Ohta, T.; 3-Chloro-4-(Dichloromethyl)-5-Hydroxy-2(5h)-Furanone (Mx) Induces Gene Mutations And Inhibits Metabolic Cooperation In Cultured Chinese Hamster Cells; J. Toxicol. Environ. Health 43(1):65-72, 1994