[
  {
    "molid": "mol13370",
    "smiles": "O=C(O)c1ccccc1-c1nnn[nH]1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)c1ccccc1-c1nnn[nH]1",
        "std_free_energy": -2.210324764251709,
        "relative_population": 0.9999994879033671
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)c1ccccc1-c1nnn[n-]1",
        "std_free_energy": -9.88115119934082,
        "relative_population": 0.47204979423162197
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1ccccc1-c1nnn[nH]1",
        "std_free_energy": -9.99306869506836,
        "relative_population": 0.5279502057683779
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.9000001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]