pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.04	IUPAC digitized pKa	0	-1	O=C(O)COc1cccc(Br)c1	O=C([O-])COc1cccc(Br)c1	mol1830	O=C(O)COc1cccc(Br)c1
3.09	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)COc1cccc(Br)c1	O=C([O-])COc1cccc(Br)c1	mol1830	O=C(O)COc1cccc(Br)c1
3.095	Hunt	0	-1	O=C(O)COc1cccc(Br)c1	O=C([O-])COc1cccc(Br)c1	mol1830	O=C(O)COc1cccc(Br)c1
3.065	OCHEM	0	-1	O=C(O)COc1cccc(Br)c1	O=C([O-])COc1cccc(Br)c1	mol1830	O=C(O)COc1cccc(Br)c1
3.08999991416931	QSARToolbox	0	-1	O=C(O)COc1cccc(Br)c1	O=C([O-])COc1cccc(Br)c1	mol1830	O=C(O)COc1cccc(Br)c1
3.09999990463257	QSARToolbox	0	-1	O=C(O)COc1cccc(Br)c1	O=C([O-])COc1cccc(Br)c1	mol1830	O=C(O)COc1cccc(Br)c1
3.90000009536743	QSARToolbox	0	-1	O=C(O)COc1cccc(Br)c1	O=C([O-])COc1cccc(Br)c1	mol1830	O=C(O)COc1cccc(Br)c1
3.40000009536743	QSARToolbox	0	-1	O=C(O)COc1cccc(Br)c1	O=C([O-])COc1cccc(Br)c1	mol1830	O=C(O)COc1cccc(Br)c1
3.07	AttenGpKa training set	0	-1	O=C(O)COc1cccc(Br)c1	O=C([O-])COc1cccc(Br)c1	mol1830	O=C(O)COc1cccc(Br)c1