pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.23	AttenGpKa training set	1	0	CCC[NH+](C)CCc1ccc2ccccc2c1	CCCN(C)CCc1ccc2ccccc2c1	mol24326	CCCN(C)CCc1ccc2ccccc2c1