CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Reference
50-76-0	Actinomycin D	CC(C)C1C(=O)N2CCCC2C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC(C)C(NC(=O)c2ccc(C)c3c2N=C2C(=C(C)C(=O)C(N)=C2C(=O)NC2C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C4CCCN4C(=O)C(C(C)C)NC2=O)O3)C(=O)N1	in vitro CA positive	in vitro CA positive	Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test in vitro, Revised Edition. Life-Science Information Center, Tokyo, Japan