pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.357	IUPAC digitized pKa	1	0	CCC1=[NH+][C@H](CC)CS1	CCC1=N[C@H](CC)CS1	mol7554	CCC1=NC(CC)CS1