pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.59	AttenGpKa training set	0	-1	O=C(O)C=C1CCCCC1	O=C([O-])C=C1CCCCC1	mol22279	O=C(O)C=C1CCCCC1