pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.77	OCHEM	1	0	CCO[P@](C)(=O)SCC[NH+](C)C	CCO[P@](C)(=O)SCCN(C)C	mol1445	CCO[P@](C)(=O)SCCN(C)C