pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.9	Novartis	0	-1	O=C(O)c1ccc(-c2ccccc2)cc1	O=C([O-])c1ccc(-c2ccccc2)cc1	mol2996	O=C(O)c1ccc(-c2ccccc2)cc1
4.35	AttenGpKa training set	0	-1	O=C(O)c1ccc(-c2ccccc2)cc1	O=C([O-])c1ccc(-c2ccccc2)cc1	mol2996	O=C(O)c1ccc(-c2ccccc2)cc1