pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.23	AttenGpKa training set	1	0	CCCC[NH+](C)CCCc1ccc2ccccc2c1	CCCCN(C)CCCc1ccc2ccccc2c1	mol24350	CCCCN(C)CCCc1ccc2ccccc2c1