pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.49	AttenGpKa training set	0	-1	CCOC(=O)c1cc(O)n(-c2ccccc2)n1	CCOC(=O)c1cc([O-])n(-c2ccccc2)n1	mol25999	CCOC(=O)c1cc(O)n(-c2ccccc2)n1