pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.21	AttenGpKa training set	0	-1	Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]	Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]	mol28812	Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]