pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.59	Datawarrior	0	-1	COCC1=C(C(=O)O)[C@@H]2C=C[C@H]1C2	COCC1=C(C(=O)[O-])[C@@H]2C=C[C@H]1C2	mol13733	COCC1=C(C(=O)O)C2C=CC1C2
4.5900002	OCHEM	0	-1	COCC1=C(C(=O)O)[C@@H]2C=C[C@H]1C2	COCC1=C(C(=O)[O-])[C@@H]2C=C[C@H]1C2	mol13733	COCC1=C(C(=O)O)C2C=CC1C2
4.59000015258789	QSARToolbox	0	-1	COCC1=C(C(=O)O)[C@@H]2C=C[C@H]1C2	COCC1=C(C(=O)[O-])[C@@H]2C=C[C@H]1C2	mol13733	COCC1=C(C(=O)O)C2C=CC1C2