pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.95	IUPAC digitized pKa	1	0	CCCCC[C@H]([NH3+])CNC(=S)S	CCCCC[C@H]([NH3+])CNC(=S)[S-]	mol10722	CCCCCC(N)CNC(=S)S
2.8	IUPAC digitized pKa	1	0	CCCCC[C@H]([NH3+])CNC(=S)S	CCCCC[C@H]([NH3+])CNC(=S)[S-]	mol10722	CCCCCC(N)CNC(=S)S