pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.6	AttenGpKa training set	1	0	N#CC[NH+]=C(c1ccccc1)c1ccccc1	N#CCN=C(c1ccccc1)c1ccccc1	mol27956	N#CCN=C(c1ccccc1)c1ccccc1