[
  {
    "molid": "mol26058",
    "smiles": "C[n+]1ccc(O)c2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1ccc([O-])c2ccccc21",
        "std_free_energy": -6.1369709968566895,
        "relative_population": 0.9999900481501438
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1ccc(O)c2ccccc21",
        "std_free_energy": 2.622260570526123,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.46,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]