pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.53	Datawarrior	0	-1	O=C(O)[C@H]1C[C@@H]1c1ccc(Cl)cc1	O=C([O-])[C@H]1C[C@@H]1c1ccc(Cl)cc1	mol13725	O=C(O)[C@H]1C[C@@H]1c1ccc(Cl)cc1
4.53000020980835	QSARToolbox	0	-1	O=C(O)[C@H]1C[C@@H]1c1ccc(Cl)cc1	O=C([O-])[C@H]1C[C@@H]1c1ccc(Cl)cc1	mol13725	O=C(O)[C@H]1C[C@@H]1c1ccc(Cl)cc1