[
  {
    "molid": "mol37333",
    "smiles": "O=C1OC(c2ccc(O)cc2)(c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)c2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1O[C@](c2ccc(O)cc2)(c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)c2ccccc21",
        "std_free_energy": -2.6144349575042725,
        "relative_population": 1.0
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C1O[C@](c2ccc(O)cc2)(c2ccc(O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)cc2)c2ccccc21",
        "std_free_energy": -10.069864273071289,
        "relative_population": 0.9998197084372415
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.03999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]