pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	AttenGpKa training set	1	0	C[NH2+]CCCc1ccc2ccccc2c1	CNCCCc1ccc2ccccc2c1	mol24315	CNCCCc1ccc2ccccc2c1