pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.59	AttenGpKa training set	0	-1	COc1cc(CCC(=O)O)ccc1O	COc1cc(CCC(=O)[O-])ccc1O	mol23423	COc1cc(CCC(=O)O)ccc1O
9.98	AttenGpKa training set	-1	-2	COc1cc(CCC(=O)[O-])ccc1O	COc1cc(CCC(=O)[O-])ccc1[O-]	mol23423	COc1cc(CCC(=O)O)ccc1O