[
  {
    "molid": "mol26490",
    "smiles": "Cc1nc2c(O)cc([N+](=O)[O-])cc2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1[nH]c2cc([N+](=O)[O-])cc([O-])c2[nH+]1",
        "std_free_energy": -3.0327038764953613,
        "relative_population": 0.06888744958078116
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1nc2c(O)cc([N+](=O)[O-])cc2[nH]1",
        "std_free_energy": -5.63661003112793,
        "relative_population": 0.9311125504192189
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH]c2cc([N+](=O)[O-])cc(O)c2[nH+]1",
        "std_free_energy": -1.5380918979644775,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]