pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
14.5	AttenGpKa training set	0	-1	CC/N=C(\C)c1ccccc1O,CC/[NH+]=C(\C)c1ccccc1[O-]	CC/N=C(\C)c1ccccc1[O-]	mol30555	CC/N=C(\C)c1ccccc1O
4.7	AttenGpKa training set	1	0	CC/[NH+]=C(\C)c1ccccc1O	CC/N=C(\C)c1ccccc1O,CC/[NH+]=C(\C)c1ccccc1[O-]	mol30555	CC/N=C(\C)c1ccccc1O