[
  {
    "molid": "mol31576",
    "smiles": "O/N=C/c1cc(Cl)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O/N=C/c1cc(Cl)ccc1O",
        "std_free_energy": -6.536780834197998,
        "relative_population": 0.9999815312093053
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]/N=C/c1cc(Cl)ccc1O",
        "std_free_energy": 0.03433409333229065,
        "relative_population": 0.15632880874650942
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1ccc(Cl)cc1/C=N/O",
        "std_free_energy": -1.651467204093933,
        "relative_population": 0.8436711912534905
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]