pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.1000003814697	QSARToolbox	0	-1	O[C@@H](c1ccccc1)C(Cl)(Cl)Cl	[O-][C@@H](c1ccccc1)C(Cl)(Cl)Cl	mol33897	OC(c1ccccc1)C(Cl)(Cl)Cl
12.1199998855591	QSARToolbox	0	-1	O[C@@H](c1ccccc1)C(Cl)(Cl)Cl	[O-][C@@H](c1ccccc1)C(Cl)(Cl)Cl	mol33897	OC(c1ccccc1)C(Cl)(Cl)Cl
12.1700000762939	QSARToolbox	0	-1	O[C@@H](c1ccccc1)C(Cl)(Cl)Cl	[O-][C@@H](c1ccccc1)C(Cl)(Cl)Cl	mol33897	OC(c1ccccc1)C(Cl)(Cl)Cl