pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.37	Baltruschat ChEMBL	-1	-2	O=C([O-])CC(CC(=O)O)n1ccnc1,O=C([O-])CC(CC(=O)[O-])n1cc[nH+]c1	O=C([O-])CC(CC(=O)[O-])n1ccnc1	mol18493	O=C(O)CC(CC(=O)O)n1ccnc1