[
  {
    "molid": "mol31394",
    "smiles": "O=C(NO)c1ccco1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NO)c1ccco1",
        "std_free_energy": -6.073276519775391,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([N-]O)c1ccco1",
        "std_free_energy": -0.17966324090957642,
        "relative_population": 0.24399951755484087
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(N[O-])c1ccco1",
        "std_free_energy": -1.3105390071868896,
        "relative_population": 0.756000482445159
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.45,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]