pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.84	Settimo	1	0	CO[C@@H]1C[C@@H](O[C@H]2[C@H](C)[C@H](O[C@H]3O[C@H](C)C[C@@H]([NH+](C)C)[C@H]3O)[C@@H](C)C[C@]3(CO3)C(=O)[C@H](C)[C@H](O)[C@H](C)[C@H](C)O[C@@H](O)[C@H]2C)O[C@@H](C)[C@H]1O	CO[C@@H]1C[C@@H](O[C@H]2[C@H](C)[C@H](O[C@H]3O[C@H](C)C[C@@H](N(C)C)[C@H]3O)[C@@H](C)C[C@]3(CO3)C(=O)[C@H](C)[C@H](O)[C@H](C)[C@H](C)O[C@@H](O)[C@H]2C)O[C@@H](C)[C@H]1O	mol80	COC1CC(OC2C(C)C(O)OC(C)C(C)C(O)C(C)C(=O)C3(CO3)CC(C)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1O