pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.43	AttenGpKa training set	0	-1	COc1ccc(N)cc1C(=O)O,COc1ccc([NH3+])cc1C(=O)[O-]	COc1ccc(N)cc1C(=O)[O-]	mol22713	COc1ccc(N)cc1C(=O)O
3.3	AttenGpKa training set	1	0	COc1ccc([NH3+])cc1C(=O)O	COc1ccc(N)cc1C(=O)O,COc1ccc([NH3+])cc1C(=O)[O-]	mol22713	COc1ccc(N)cc1C(=O)O