[
  {
    "molid": "mol32504",
    "smiles": "O=c1[nH]c(=O)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2[nH]1",
        "std_free_energy": -5.601986885070801,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[n-]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2[nH]1",
        "std_free_energy": -5.406048774719238,
        "relative_population": 0.12940936426783836
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=c1[n-]c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1",
        "std_free_energy": -7.31223726272583,
        "relative_population": 0.870588338536599
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.7199998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]