pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.85	AttenGpKa training set	0	-1	COc1cc(C(=O)O)c(C(=O)O)cc1OC	COc1cc(C(=O)[O-])c(C(=O)O)cc1OC	mol22996	COc1cc(C(=O)O)c(C(=O)O)cc1OC