pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1	AttenGpKa training set	0	-1	O=S(=O)([O-])[C@@H]1NC=[NH+]c2ccccc21	O=S(=O)([O-])[C@@H]1NC=Nc2ccccc21	mol26276	O=S(=O)(O)C1NC=Nc2ccccc21