[
  {
    "molid": "mol31515",
    "smiles": "C/C(=N\\O)c1ccncc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(=N\\O)c1ccncc1",
        "std_free_energy": -6.817856311798096,
        "relative_population": 0.9997474787130785
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C/C(=N\\[O-])c1ccncc1",
        "std_free_energy": 2.292670726776123,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.82,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]