pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.62	AttenGpKa training set	0	-1	Cc1cc([C@]2(c3cc(Br)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)c(Br)c(O)c1Br	Cc1cc([C@]2(c3cc(Br)c([O-])c(Br)c3C)OS(=O)(=O)c3ccccc32)c(Br)c(O)c1Br,Cc1cc([C@]2(c3cc(Br)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)c(Br)c([O-])c1Br	mol31057	Cc1cc(C2(c3cc(Br)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)c(Br)c(O)c1Br