pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	AttenGpKa training set	0	-1	CC1=CC(=O)C(C(C)C)=C/C1=C(\c1ccccc1)c1cc(C(C)C)c(O)cc1C	CC1=CC(=O)C(C(C)C)=C/C1=C(\c1ccccc1)c1cc(C(C)C)c([O-])cc1C,[CH2-]C1=CC(=O)C(C(C)C)=C/C1=C(\c1ccccc1)c1cc(C(C)C)c(O)cc1C	mol30981	CC1=CC(=O)C(C(C)C)=C/C1=C(\c1ccccc1)c1cc(C(C)C)c(O)cc1C