[
  {
    "molid": "mol31600",
    "smiles": "CO/N=C1/C=C/C(=N\\O)C=C1Cl",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CO/N=C1/C=C/C(=N\\O)C=C1Cl",
        "std_free_energy": -6.990898132324219,
        "relative_population": 0.9999996100912965
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CO/N=C1/C=C/C(=N\\[O-])C=C1Cl",
        "std_free_energy": -1.609309434890747,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]