pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	AttenGpKa training set	1	0	C[NH2+]CCCS(=O)(=O)c1ccccc1	CNCCCS(=O)(=O)c1ccccc1	mol24314	CNCCCS(=O)(=O)c1ccccc1