pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.94	Settimo	1	0	C=CC[NH+]1CC[C@@]23c4c5ccc(O)c4O[C@@H]2C(=O)CC[C@]3(O)[C@@H]1C5	C=CCN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2C(=O)CC[C@]3(O)[C@@H]1C5,C=CC[NH+]1CC[C@@]23c4c5ccc([O-])c4O[C@@H]2C(=O)CC[C@]3(O)[C@@H]1C5	mol151	C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5