[
  {
    "molid": "mol25469",
    "smiles": "COc1cccc(-n2nccc2N)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc(-n2nccc2N)c1",
        "std_free_energy": -7.37092924118042,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cccc(-n2[nH+]ccc2N)c1",
        "std_free_energy": 1.3386943340301514,
        "relative_population": 0.356440861400642
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cccc(-n2nccc2[NH3+])c1",
        "std_free_energy": 0.7478487491607666,
        "relative_population": 0.643559138599358
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.09,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]