[
  {
    "molid": "mol14877",
    "smiles": "CC(C)(/C=C/C(=O)O)c1cc([N+](=O)[O-])ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(/C=C/C(=O)O)c1cc([N+](=O)[O-])ccc1O",
        "std_free_energy": -3.094196319580078,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(/C=C/C(=O)[O-])c1cc([N+](=O)[O-])ccc1O",
        "std_free_energy": -8.517349243164062,
        "relative_population": 0.9753577267947093
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)(/C=C/C(=O)[O-])c1cc([N+](=O)[O-])ccc1[O-]",
        "std_free_energy": -7.130491733551025,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.26,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.24,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]