pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.16	AttenGpKa training set	0	-1	O=C(O)c1ccc([C@@]23CCCC[C@@H]2C3)cc1	O=C([O-])c1ccc([C@@]23CCCC[C@@H]2C3)cc1	mol11940	O=C(O)c1ccc(C23CCCCC2C3)cc1