pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.0	AttenGpKa training set	-1	-2	COCOc1c(C(=O)[O-])cccc1C(=O)O	COCOc1c(C(=O)[O-])cccc1C(=O)[O-]	mol22995	COCOc1c(C(=O)O)cccc1C(=O)O