pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.56	AttenGpKa training set	0	-1	C=C[C@@H](NC(=O)c1ccccc1)C(=O)O	C=C[C@@H](NC(=O)c1ccccc1)C(=O)[O-]	mol29355	C=CC(NC(=O)c1ccccc1)C(=O)O