pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.99	AttenGpKa training set	0	-1	CC1=C(O)C(=O)C(C(C)C)=C(O)C1=O	CC1=C([O-])C(=O)C(C(C)C)=C(O)C1=O,CC1=C(O)C(=O)C(C(C)C)=C([O-])C1=O	mol30636	CC1=C(O)C(=O)C(C(C)C)=C(O)C1=O
7.35	AttenGpKa training set	-1	-2	CC1=C([O-])C(=O)C(C(C)C)=C(O)C1=O,CC1=C(O)C(=O)C(C(C)C)=C([O-])C1=O	[CH2-]C1=C(O)C(=O)C(C(C)C)=C([O-])C1=O,[CH2-]C1=C([O-])C(=O)C(C(C)C)=C(O)C1=O	mol30636	CC1=C(O)C(=O)C(C(C)C)=C(O)C1=O