pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.77	AttenGpKa training set	0	-1	COc1ccc(C(=O)NCC(=O)O)cc1	COc1ccc(C(=O)NCC(=O)[O-])cc1	mol29361	COc1ccc(C(=O)NCC(=O)O)cc1