pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.9	Organic Oxygen Acids and Nitrogen Bases	1	0	CCC[NH+](CC)C[C@H]1CO[C@]2(CC[C@H](C(C)(C)C)CC2)O1	CCCN(CC)C[C@H]1CO[C@]2(CC[C@H](C(C)(C)C)CC2)O1	mol21826	CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1