[
  {
    "molid": "mol22357",
    "smiles": "O=C(O)/C(=N\\O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)/C(=N\\O)c1ccccc1",
        "std_free_energy": -3.8354036808013916,
        "relative_population": 0.9994653036999147
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])/C(=N\\O)c1ccccc1",
        "std_free_energy": -10.979153633117676,
        "relative_population": 0.9999124904728086
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])/C(=N\\[O-])c1ccccc1",
        "std_free_energy": -0.1652415692806244,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.82,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 10.9499998092651,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.95,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]