pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.21999979019165	QSARToolbox	0	-1	O=C(O)C[C@H](c1ccccc1)[C@H](CC(=O)O)c1ccccc1	O=C([O-])C[C@H](c1ccccc1)[C@H](CC(=O)O)c1ccccc1	mol37406	O=C(O)C[C@H](c1ccccc1)[C@H](CC(=O)O)c1ccccc1