pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-1.49	AttenGpKa training set	1	0	COc1ccc(/N=[NH+]/c2ccc(S(=O)(=O)O)cc2)cc1,COc1ccc(/[NH+]=[NH+]/c2ccc(S(=O)(=O)[O-])cc2)cc1	COc1ccc(/N=[NH+]/c2ccc(S(=O)(=O)[O-])cc2)cc1,COc1ccc(/[NH+]=N/c2ccc(S(=O)(=O)[O-])cc2)cc1	mol24923	COc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1