pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.3	IUPAC digitized pKa	0	-1	CCCC[C@@H](CC)CNC(=S)S	CCCC[C@@H](CC)CNC(=S)[S-]	mol11106	CCCCC(CC)CNC(=S)S
3.4	IUPAC digitized pKa	0	-1	CCCC[C@@H](CC)CNC(=S)S	CCCC[C@@H](CC)CNC(=S)[S-]	mol11106	CCCCC(CC)CNC(=S)S