pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.0	AttenGpKa training set	1	0	C[n+]1c2ccccc2cc2[nH]c3ccccc3c21	C[n+]1c2ccccc2cc2[n-]c3ccccc3c21	mol26675	C[n+]1c2ccccc2cc2[nH]c3ccccc3c21