pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.12	Organic Oxygen Acids and Nitrogen Bases	1	0	CCO[P@@](C)(=O)SCC[NH+](C(C)C)C(C)C	CCO[P@@](C)(=O)SCCN(C(C)C)C(C)C	mol21824	CCOP(C)(=O)SCCN(C(C)C)C(C)C