[
  {
    "molid": "mol37335",
    "smiles": "O=C(O)[C@H]1O[C@@H](Oc2ccc3nc(O)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@H]1O[C@@H](Oc2ccc3nc(O)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -3.8097410202026367,
        "relative_population": 0.9747821614908174
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@H]1O[C@@H](Oc2ccc3nc(O)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -10.718301773071289,
        "relative_population": 0.9999340221490436
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.0699999332428,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]