pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-5.61	AttenGpKa training set	1	0	C[NH2+]c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-]	CNc1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-]	mol24114	CNc1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-]