pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.66	AttenGpKa training set	0	-1	O=C(O)C1=CCCCC1	O=C([O-])C1=CCCCC1	mol22232	O=C(O)C1=CCCCC1