pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.45	OCHEM	1	0	CCC[NH+]1C[C@@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]21	CCCN1C[C@@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]21	mol32897	CCCN1CC(CSC)CC2c3cccc4[nH]cc(c34)CC21