[
  {
    "molid": "mol37574",
    "smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)c(Cl)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)c(Cl)c1",
        "std_free_energy": -3.0988783836364746,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([O-])c(Cl)c1",
        "std_free_energy": -5.037173271179199,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.07000017166138,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]