pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.93	Datawarrior	0	-1	O=C(O)c1ccccc1Br	O=C([O-])c1ccccc1Br	mol5596	O=C(O)c1ccccc1Br
2.88	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1ccccc1Br	O=C([O-])c1ccccc1Br	mol5596	O=C(O)c1ccccc1Br
2.85	OCHEM	0	-1	O=C(O)c1ccccc1Br	O=C([O-])c1ccccc1Br	mol5596	O=C(O)c1ccccc1Br
2.9300001	OCHEM	0	-1	O=C(O)c1ccccc1Br	O=C([O-])c1ccccc1Br	mol5596	O=C(O)c1ccccc1Br
2.84999990463257	QSARToolbox	0	-1	O=C(O)c1ccccc1Br	O=C([O-])c1ccccc1Br	mol5596	O=C(O)c1ccccc1Br
2.80999994277954	QSARToolbox	0	-1	O=C(O)c1ccccc1Br	O=C([O-])c1ccccc1Br	mol5596	O=C(O)c1ccccc1Br
2.85999989509583	QSARToolbox	0	-1	O=C(O)c1ccccc1Br	O=C([O-])c1ccccc1Br	mol5596	O=C(O)c1ccccc1Br
2.88000011444092	QSARToolbox	0	-1	O=C(O)c1ccccc1Br	O=C([O-])c1ccccc1Br	mol5596	O=C(O)c1ccccc1Br
2.985	AttenGpKa training set	0	-1	O=C(O)c1ccccc1Br	O=C([O-])c1ccccc1Br	mol5596	O=C(O)c1ccccc1Br