pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.29	IUPAC digitized pKa	1	0	COC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12	COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12	mol8589	COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12