[
  {
    "molid": "mol26489",
    "smiles": "Cc1nc2c(O)c([N+](=O)[O-])ccc2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc2c(O)c([N+](=O)[O-])ccc2[nH]1",
        "std_free_energy": -4.858766078948975,
        "relative_population": 0.22614578796068477
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1[nH]c2ccc([N+](=O)[O-])c([O-])c2[nH+]1",
        "std_free_energy": -6.088969707489014,
        "relative_population": 0.7738542120393151
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH]c2ccc([N+](=O)[O-])c(O)c2[nH+]1",
        "std_free_energy": -0.12370146811008453,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]