pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	AttenGpKa training set	1	0	CCN(CC)C[C@@H](C)S[C@H](C)C[NH+](CC)CC	CCN(CC)C[C@@H](C)S[C@H](C)CN(CC)CC	mol24479	CCN(CC)CC(C)SC(C)CN(CC)CC