pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.85	AttenGpKa training set	0	-1	CC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)O	CC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)[O-]	mol29480	CCC(NC(=O)C(C)NC(=O)OCc1ccccc1)C(=O)O