pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	Baltruschat ChEMBL	-2	-3	O=C([O-])c1nc(C2CCCCC2)nc([O-])c1O,O=C([O-])c1nc(C2CCCCC2)nc(O)c1[O-]	O=C([O-])c1nc(C2CCCCC2)nc([O-])c1[O-]	mol21205	O=C(O)c1nc(C2CCCCC2)nc(O)c1O