[
  {
    "molid": "mol15446",
    "smiles": "CCOc1ccc2nc3cc([N+](=O)[O-])ccc3c(N)c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1ccc2nc3cc([N+](=O)[O-])ccc3c(N)c2c1",
        "std_free_energy": -4.889416694641113,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOc1ccc2nc3cc([N+](=O)[O-])ccc3c([NH3+])c2c1",
        "std_free_energy": -6.629070281982422,
        "relative_population": 0.45442297920783253
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOc1ccc2[nH+]c3cc([N+](=O)[O-])ccc3c(N)c2c1",
        "std_free_energy": -6.811885833740234,
        "relative_population": 0.5455770207921675
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]