pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	AttenGpKa training set	0	-1	O=C(O)Cc1c[nH]c2ccc(O)cc12	O=C([O-])Cc1c[nH]c2ccc(O)cc12	mol23378	O=C(O)Cc1c[nH]c2ccc(O)cc12