pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.83	Settimo	1	0	CC[C@@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@](CC=O)(O[C@@H]2O[C@@H](C)C[C@@H]([NH+](C)C)[C@@H]2O)C[C@H](C)C(=O)C=CC(C)=C[C@H]1C	CC[C@@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@](CC=O)(O[C@@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)C[C@H](C)C(=O)C=CC(C)=C[C@H]1C	mol79	CCC1OC(=O)CC(O)C(C)C(CC=O)(OC2OC(C)CC(N(C)C)C2O)CC(C)C(=O)C=CC(C)=CC1C