pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.231	OCHEM	1	0	CCC1=[NH+]C[C@H](C)S1	CCC1=NC[C@H](C)S1	mol2196	CCC1=NC[C@H](C)S1