pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	AttenGpKa training set	1	0	C[NH+](C)CCCCCS(=O)(=O)c1ccccc1	CN(C)CCCCCS(=O)(=O)c1ccccc1	mol24348	CN(C)CCCCCS(=O)(=O)c1ccccc1