pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.88	Organic Oxygen Acids and Nitrogen Bases	1	0	C[C@H]1[NH+](C)CCO[C@@]1(O)c1ccccc1	C[C@H]1N(C)CCO[C@@]1(O)c1ccccc1	mol21830	CC1N(C)CCOC1(O)c1ccccc1