pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.99	IUPAC digitized pKa	0	-1	CC(=O)c1c[nH]c2ccccc12	CC(=O)c1c[n-]c2ccccc12	mol11320	CC(=O)c1c[nH]c2ccccc12
