pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.75	AttenGpKa training set	1	0	[NH3+]c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1	Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1	mol24029	Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1