pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.68	Datawarrior	0	-1	CC(C)c1cccc(=O)c(O)c1Br	CC(C)c1cccc(=O)c([O-])c1Br	mol1629	CC(C)c1cccc(=O)c(O)c1Br
6.6799998	OCHEM	0	-1	CC(C)c1cccc(=O)c(O)c1Br	CC(C)c1cccc(=O)c([O-])c1Br	mol1629	CC(C)c1cccc(=O)c(O)c1Br
4.68	Hunt	0	-1	CC(C)c1cccc(=O)c(O)c1Br	CC(C)c1cccc(=O)c([O-])c1Br	mol1629	CC(C)c1cccc(=O)c(O)c1Br