pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.61	AttenGpKa training set	1	0	CNc1cccc2cccc([NH2+]C)c12	CNc1cccc2cccc(NC)c12	mol6299	CNc1cccc2cccc(NC)c12