[
  {
    "molid": "mol37515",
    "smiles": "Oc1ccc(Cl)cc1C=Nc1ccccc1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc(Cl)cc1C=Nc1ccccc1O",
        "std_free_energy": -1.5218853950500488,
        "relative_population": 0.5305204448277
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1ccccc1N=Cc1cc(Cl)ccc1O",
        "std_free_energy": -1.3993775844573975,
        "relative_population": 0.4693509043092692
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1ccc(Cl)cc1C=Nc1ccccc1[O-]",
        "std_free_energy": 9.404524803161621,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.6899995803833,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]