CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Metabo Smiles
366-70-1	Procarbazine hydrochloride	CC(C)NC(=O)c1ccc(CNNC)cc1_Cl	in vitro CA negative	in vitro CA positive	CC(C)NC(=O)c1ccc(CN=N(C)=O)cc1
592-62-1	(methyl-onn-azoxy)methyl_acetate	CC(=O)OCN=N(C)=O	in vitro CA positive	in vitro CA positive	CC(=O)OCN=N(C)=O