pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.9	OCHEM	1	0	COC(=O)[C@H]1C[C@H](C)[NH2+][C@@H]2CCCC[C@H]12	COC(=O)[C@H]1C[C@H](C)N[C@@H]2CCCC[C@H]12	mol2200	COC(=O)[C@H]1C[C@H](C)N[C@@H]2CCCC[C@H]12