pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.66	AttenGpKa training set	0	-1	CC(=O)c1ccc(S(N)(=O)=O)cc1	CC(=O)c1ccc(S([NH-])(=O)=O)cc1	mol28369	CC(=O)c1ccc(S(N)(=O)=O)cc1