[
  {
    "molid": "mol26208",
    "smiles": "C[n+]1cnc2nccnc2c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[n+]1cnc2nccnc2c1[O-]",
        "std_free_energy": -6.390254020690918,
        "relative_population": 0.999812724585987
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1c[nH+]c2nccnc2c1[O-]",
        "std_free_energy": 7.966421127319336,
        "relative_population": 0.06459014119228623
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "C[n+]1cnc2nccnc2c1O",
        "std_free_energy": 5.336742401123047,
        "relative_population": 0.895820906820823
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.415,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]