[
  {
    "molid": "mol31418",
    "smiles": "O=C(NO)c1cccc(Cl)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NO)c1cccc(Cl)c1",
        "std_free_energy": -6.246575832366943,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(N[O-])c1cccc(Cl)c1",
        "std_free_energy": -1.48665452003479,
        "relative_population": 0.6791869851781946
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([N-]O)c1cccc(Cl)c1",
        "std_free_energy": -0.7366164922714233,
        "relative_population": 0.3208130148218053
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.36,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]