[
  {
    "molid": "mol31407",
    "smiles": "Cc1ccccc1C(=O)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccccc1C(=O)NO",
        "std_free_energy": -6.5204362869262695,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccccc1C(=O)N[O-]",
        "std_free_energy": -1.289444088935852,
        "relative_population": 0.7691008464659713
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccccc1C(=O)[N-]O",
        "std_free_energy": -0.08620303869247437,
        "relative_population": 0.2308991535340287
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.72999954223633,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.55,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]