pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.164	OCHEM	1	0	CC(C)C1=[NH+]C[C@H](C)S1	CC(C)C1=NC[C@H](C)S1	mol1628	CC(C)C1=NC[C@H](C)S1