pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	AttenGpKa training set	1	0	C[NH+](C)CCCCCSc1ccccc1	CN(C)CCCCCSc1ccccc1	mol24324	CN(C)CCCCCSc1ccccc1