pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.96	AttenGpKa training set	0	-1	COC(=O)c1ccccc1-c1ccccc1C(=O)O	COC(=O)c1ccccc1-c1ccccc1C(=O)[O-]	mol23130	COC(=O)c1ccccc1-c1ccccc1C(=O)O