[
  {
    "molid": "mol14488",
    "smiles": "c1ccc(-c2nnn[nH]2)c(-c2nnn[nH]2)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "c1ccc(-c2nnn[nH]2)c(-c2nnn[n-]2)c1",
        "std_free_energy": -10.55762004852295,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "c1ccc(-c2nnn[n-]2)c(-c2nnn[n-]2)c1",
        "std_free_energy": -11.654277801513672,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.71,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.71000003814697,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]