pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.51	Datawarrior	0	-1	O=C(O)[C@@H]1CC1(Cl)Cl	O=C([O-])[C@@H]1CC1(Cl)Cl	mol12337	O=C(O)C1CC1(Cl)Cl
3.50999999046326	QSARToolbox	0	-1	O=C(O)[C@@H]1CC1(Cl)Cl	O=C([O-])[C@@H]1CC1(Cl)Cl	mol12337	O=C(O)C1CC1(Cl)Cl