pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.86	AttenGpKa training set	1	0	[NH3+]CCCCc1ccc2ccccc2c1	NCCCCc1ccc2ccccc2c1	mol24305	NCCCCc1ccc2ccccc2c1