pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.05	IUPAC digitized pKa	0	-1	C[C@H]([NH2+]Cc1ccccc1)C(=O)NCC(=O)[O-]	C[C@H](NCc1ccccc1)C(=O)NCC(=O)[O-]	mol8530	C[C@H](NCc1ccccc1)C(=O)NCC(=O)O
3.28	IUPAC digitized pKa	1	0	C[C@H]([NH2+]Cc1ccccc1)C(=O)NCC(=O)O	C[C@H]([NH2+]Cc1ccccc1)C(=O)NCC(=O)[O-]	mol8530	C[C@H](NCc1ccccc1)C(=O)NCC(=O)O