pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.55999994277954	QSARToolbox	0	-1	CC(=O)OCC1=C(C(=O)O)[C@H]2C=C[C@@H]1C2	CC(=O)OCC1=C(C(=O)[O-])[C@H]2C=C[C@@H]1C2	mol34142	CC(=O)OCC1=C(C(=O)O)C2C=CC1C2