pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.06	AttenGpKa training set	0	-1	O=C(O)[C@@H](O)Cc1c[nH]c2ccccc12	O=C([O-])[C@@H](O)Cc1c[nH]c2ccccc12	mol26507	O=C(O)C(O)Cc1c[nH]c2ccccc12