pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3	Datawarrior	1	0	CC[C@@H]1OC(=O)[C@@H](C)[C@H](O)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H]([N+](C)(C)O)[C@@H]2O)[C@]2(C)C[C@H](C)[C@]3(O[C@]1(C)C=C3C)O2	CC[C@@H]1OC(=O)[C@@H](C)[C@H](O)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H]([N+](C)(C)[O-])[C@@H]2O)[C@]2(C)C[C@H](C)[C@]3(O[C@]1(C)C=C3C)O2	mol14416	CC[C@@H]1OC(=O)[C@@H](C)[C@H](O)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H]([N+](C)(C)O)[C@@H]2O)[C@]2(C)C[C@H](C)C3(O[C@]1(C)C=C3C)O2