[
  {
    "molid": "mol15156",
    "smiles": "O=c1nc(O)ccn1[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1nc(O)ccn1[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O",
        "std_free_energy": -6.160143852233887,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1nc([O-])ccn1[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O",
        "std_free_energy": -3.3572375774383545,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]