[
  {
    "molid": "mol36774",
    "smiles": "O=[N+]([O-])c1cccc(C(C(O)c2ccccc2)=[N+]([O-])O)c1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1cccc(C([C@H](O)c2ccccc2)=[N+]([O-])O)c1",
        "std_free_energy": -4.229155540466309,
        "relative_population": 0.999988176222543
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cccc(C([C@H](O)c2ccccc2)=[N+]([O-])[O-])c1",
        "std_free_energy": -7.499991416931152,
        "relative_population": 0.9999710552038171
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.40999984741211,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]