pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	AttenGpKa training set	1	0	C[NH2+]CCCCSc1ccccc1	CNCCCCSc1ccccc1	mol24298	CNCCCCSc1ccccc1