pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.55	AttenGpKa training set	0	-1	O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccccc1	O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccccc1	mol28609	O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccccc1