CAS	Chemical Name	SMILES	#Obs_CA_with_S9	#in vitro predicted CA with S9	Metabo Smiles	Reference
51-79-6	Ethyl carbamate	CCOC(N)=O	in vitro CA negative	in vitro CA positive	CCOC(=O)NO	National Toxicology Program (1996). Urethane in Drinking Water and Urethane in 5% Ethanol Administered To F344/N R ats and B6C3F1 Mice. (NTP Technical Report on Toxicity Studies No. 52), Research Triangle Park, NC
127-07-1	Hydroxyurea	NC(=O)NO	in vitro CA positive	in vitro CA positive	NC(=O)NO	Borenfreund E., Krim M., Bendich A., Chromosomal aberrations induced by hyponitrile and hydroxylamine derivatives, J. Natl. Cancer Inst., 1964, 32(3), 667-679.
589-41-3	 N-Hydroxyurethane	CCOC(=O)NO	in vitro CA positive	in vitro CA positive	CCOC(=O)NO	Borenfreund E., Krim M., Bendich A., Chromosomal aberrations induced by hyponitrile and hydroxylamine derivatives, J. Natl. Cancer Inst., 1964, 32(3), 667-679.