pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.19000005722046	QSARToolbox	0	-1	O=C(O)C1=CC(=O)C(=O)[C@H](C(=O)O)O1	O=C(O)C1=CC(=O)C(=O)[C@H](C(=O)[O-])O1,O=C([O-])C1=CC(=O)C(=O)[C@H](C(=O)O)O1	mol35995	O=C(O)C1=CC(=O)C(=O)C(C(=O)O)O1
10.8100004196167	QSARToolbox	-2	-3	O=C([O-])C1=CC(=O)C(=O)[C@H](C(=O)[O-])O1	O=C([O-])c1cc(=O)c(=O)[c-](C(=O)[O-])o1	mol35995	O=C(O)C1=CC(=O)C(=O)C(C(=O)O)O1