[
  {
    "molid": "mol7495",
    "smiles": "COc1ncncc1-c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ncncc1-c1ccccc1",
        "std_free_energy": -7.868725776672363,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1nc[nH+]cc1-c1ccccc1",
        "std_free_energy": 2.606271266937256,
        "relative_population": 0.5352263600057384
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1[nH+]cncc1-c1ccccc1",
        "std_free_energy": 2.747410535812378,
        "relative_population": 0.4647736399942615
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.94,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.94000005722046,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]