pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.0	AttenGpKa training set	0	-1	CC1=C[C@@H]([C@@H](c2ccccc2)c2cc(C)c(O)c(Br)c2)C=C(Br)C1=O	CC1=C[C@@H]([C@@H](c2ccccc2)c2cc(C)c([O-])c(Br)c2)C=C(Br)C1=O,Cc1cc([C@H](c2ccccc2)[c-]2cc(C)c(=O)c(Br)c2)cc(Br)c1O	mol31014	CC1=CC(C(c2ccccc2)c2cc(C)c(O)c(Br)c2)C=C(Br)C1=O