pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.48	AttenGpKa training set	1	0	[NH3+]Cc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2)cc1	NCc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2)cc1	mol28663	NCc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2)cc1