pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.07	AttenGpKa training set	0	-1	COC(=O)C(O)(c1ccccc1)c1ccccc1	COC(=O)C([O-])(c1ccccc1)c1ccccc1	mol31252	COC(=O)C(O)(c1ccccc1)c1ccccc1