[
  {
    "molid": "mol15702",
    "smiles": "Cc1c(Cl)c([N+](=O)[O-])cc2c1nnn2O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c(Cl)c([N+](=O)[O-])cc2c1nnn2O",
        "std_free_energy": -1.638826608657837,
        "relative_population": 0.999952971579956
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1c(Cl)c([N+](=O)[O-])cc2c1nnn2[O-]",
        "std_free_energy": -9.250648498535156,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.0999999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.09999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]