[
  {
    "molid": "mol26390",
    "smiles": "Nc1cc(O)c2nc[nH]c2c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1cc(O)c2nc[nH]c2c1",
        "std_free_energy": -5.680120468139648,
        "relative_population": 0.9439470979650203
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Nc1cc([O-])c2[nH+]c[nH]c2c1",
        "std_free_energy": -2.851966381072998,
        "relative_population": 0.055807933528845645
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cc(O)c2[nH+]c[nH]c2c1",
        "std_free_energy": -5.239039897918701,
        "relative_population": 0.8700594789333607
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]c1cc(O)c2nc[nH]c2c1",
        "std_free_energy": -3.336557626724243,
        "relative_population": 0.12981096862018976
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]