pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.8	IUPAC digitized pKa	0	-1	O=C1C(O)=C(Br)C(=O)C(O)=C1Br	O=C1C(O)=C(Br)C(=O)C([O-])=C1Br	mol9609	O=C1C(O)=C(Br)C(=O)C(O)=C1Br
0.7	AttenGpKa training set	0	-1	O=C1C(O)=C(Br)C(=O)C(O)=C1Br	O=C1C(O)=C(Br)C(=O)C([O-])=C1Br	mol9609	O=C1C(O)=C(Br)C(=O)C(O)=C1Br
3.1	IUPAC digitized pKa	-1	-2	O=C1C(O)=C(Br)C(=O)C([O-])=C1Br	O=C1C([O-])=C(Br)C(=O)C([O-])=C1Br	mol9609	O=C1C(O)=C(Br)C(=O)C(O)=C1Br