pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.36	Settimo	1	0	CC[C@@H]1[C@H](OC[C@H]2C=C(C)C=CC(=O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H]([NH+](C)C)[C@H]3O)[C@@H](C)[C@H](O)CC(=O)O[C@@H]2CC)O[C@H](C)[C@@H](O)[C@H]1OC	CC[C@@H]1[C@H](OC[C@H]2C=C(C)C=CC(=O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](N(C)C)[C@H]3O)[C@@H](C)[C@H](O)CC(=O)O[C@@H]2CC)O[C@H](C)[C@@H](O)[C@H]1OC	mol69	CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(OC)C1CC