pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.12	AttenGpKa training set	1	0	CCCC[NH+](C)CCc1ccc2ccccc2c1	CCCCN(C)CCc1ccc2ccccc2c1	mol24340	CCCCN(C)CCc1ccc2ccccc2c1