pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.63	OCHEM	2	1	CCOP(=O)(OCC)[C@H]([NH2+]CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C	CCOP(=O)(OCC)[C@H](NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C	mol17820	CCOP(=O)(OCC)C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C