[
  {
    "molid": "mol36262",
    "smiles": "Cn1nnnc1NC(=O)c1ccccc1O",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "Cn1nnnc1NC(=O)c1ccccc1O",
        "std_free_energy": -5.467270374298096,
        "relative_population": 0.9999999180683727
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1nnnc1[N-]C(=O)c1ccccc1O",
        "std_free_energy": -3.488236904144287,
        "relative_population": 0.7495512702680998
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cn1nnnc1NC(=O)c1ccccc1[O-]",
        "std_free_energy": -2.3920164108276367,
        "relative_population": 0.25044872973190024
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.8899998664856,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]