pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.44	AttenGpKa training set	0	-1	C[C@H](C[NH2+]c1ccccc1)C(=O)[O-],C[C@H](CNc1ccccc1)C(=O)O	C[C@H](CNc1ccccc1)C(=O)[O-]	mol23345	CC(CNc1ccccc1)C(=O)O