[
  {
    "molid": "mol26359",
    "smiles": "On1cnc2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "On1cnc2ccccc21",
        "std_free_energy": -7.483223915100098,
        "relative_population": 0.9996136431393846
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "On1c[nH+]c2ccccc21",
        "std_free_energy": 1.0389118194580078,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]n1cnc2ccccc21",
        "std_free_energy": 1.1785629987716675,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.77,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 2.85,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]