pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	IUPAC digitized pKa	0	-1	CC(C)[C@@H](N)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	CC(C)[C@@H](N)C(=O)NNC(=O)C[N-]C(=O)OCc1ccccc1,CC(C)[C@@H](N)C(=O)N[N-]C(=O)CNC(=O)OCc1ccccc1,CC(C)[C@@H](N)C(=O)[N-]NC(=O)CNC(=O)OCc1ccccc1	mol8821	CC(C)[C@@H](N)C(=O)NNC(=O)CNC(=O)OCc1ccccc1
7.08	IUPAC digitized pKa	1	0	CC(C)[C@@H]([NH3+])C(=O)NNC(=O)CNC(=O)OCc1ccccc1	CC(C)[C@@H](N)C(=O)NNC(=O)CNC(=O)OCc1ccccc1	mol8821	CC(C)[C@@H](N)C(=O)NNC(=O)CNC(=O)OCc1ccccc1