pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	IUPAC digitized pKa	0	-1	N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccccc1	N[C@@H](Cc1ccccc1)C(=O)[N-]NC(=O)c1ccccc1,N[C@@H](Cc1ccccc1)C(=O)N[N-]C(=O)c1ccccc1	mol8805	NC(Cc1ccccc1)C(=O)NNC(=O)c1ccccc1
6.76	IUPAC digitized pKa	1	0	[NH3+][C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccccc1	N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccccc1	mol8805	NC(Cc1ccccc1)C(=O)NNC(=O)c1ccccc1