pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.04	IUPAC digitized pKa	0	-1	[NH3+]C[C@@H]([S-])Cc1ccccc1,NC[C@@H](S)Cc1ccccc1	NC[C@@H]([S-])Cc1ccccc1	mol11088	NCC(S)Cc1ccccc1
8.0	IUPAC digitized pKa	1	0	[NH3+]C[C@@H](S)Cc1ccccc1	[NH3+]C[C@@H]([S-])Cc1ccccc1,NC[C@@H](S)Cc1ccccc1	mol11088	NCC(S)Cc1ccccc1