pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.55	AttenGpKa training set	1	0	[NH3+]c1ccc(NC(=O)c2ccccc2)cc1	Nc1ccc(NC(=O)c2ccccc2)cc1	mol11862	Nc1ccc(NC(=O)c2ccccc2)cc1