pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.06	IUPAC digitized pKa	0	-1	O=C(O)[C@H](O)c1ccc(Br)cc1	O=C([O-])[C@H](O)c1ccc(Br)cc1	mol10560	O=C(O)C(O)c1ccc(Br)cc1
2.87	IUPAC digitized pKa	0	-1	O=C(O)[C@H](O)c1ccc(Br)cc1	O=C([O-])[C@H](O)c1ccc(Br)cc1	mol10560	O=C(O)C(O)c1ccc(Br)cc1
3.15	IUPAC digitized pKa	0	-1	O=C(O)[C@H](O)c1ccc(Br)cc1	O=C([O-])[C@H](O)c1ccc(Br)cc1	mol10560	O=C(O)C(O)c1ccc(Br)cc1
3.105	OCHEM	0	-1	O=C(O)[C@H](O)c1ccc(Br)cc1	O=C([O-])[C@H](O)c1ccc(Br)cc1	mol10560	O=C(O)C(O)c1ccc(Br)cc1
3.15000009536743	QSARToolbox	0	-1	O=C(O)[C@H](O)c1ccc(Br)cc1	O=C([O-])[C@H](O)c1ccc(Br)cc1	mol10560	O=C(O)C(O)c1ccc(Br)cc1
3.29999995231628	QSARToolbox	0	-1	O=C(O)[C@H](O)c1ccc(Br)cc1	O=C([O-])[C@H](O)c1ccc(Br)cc1	mol10560	O=C(O)C(O)c1ccc(Br)cc1
3.59999990463257	QSARToolbox	0	-1	O=C(O)[C@H](O)c1ccc(Br)cc1	O=C([O-])[C@H](O)c1ccc(Br)cc1	mol10560	O=C(O)C(O)c1ccc(Br)cc1
2.86999988555908	QSARToolbox	0	-1	O=C(O)[C@H](O)c1ccc(Br)cc1	O=C([O-])[C@H](O)c1ccc(Br)cc1	mol10560	O=C(O)C(O)c1ccc(Br)cc1