pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-4.53	AttenGpKa training set	1	0	C[NH2+]c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	mol23978	CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]