pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.55	AttenGpKa training set	1	0	C/[NH+]=C(\c1ccccc1)c1ccc(Cl)cc1	C/N=C(\c1ccccc1)c1ccc(Cl)cc1	mol27967	C/N=C(\c1ccccc1)c1ccc(Cl)cc1