pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1	AttenGpKa training set	0	-1	O=C1CCC(O)=C1NC(=O)c1ccccc1	O=C1CCC([O-])=C1NC(=O)c1ccccc1	mol26955	O=C1CCC(O)=C1NC(=O)c1ccccc1