pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.39	AttenGpKa training set	-1	-2	[NH-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1	[NH-]S(=O)(=O)c1cccc(S([NH-])(=O)=O)c1	mol28421	NS(=O)(=O)c1cccc(S(N)(=O)=O)c1