[
  {
    "molid": "mol31830",
    "smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O",
        "std_free_energy": -7.708374977111816,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[O-])[C@H](O)[C@@H]1O",
        "std_free_energy": 8.17798900604248,
        "relative_population": 0.18839253908906564
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1[O-]",
        "std_free_energy": 7.659010410308838,
        "relative_population": 0.31655796090954363
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]([O-])[C@@H]1O",
        "std_free_energy": 7.861823081970215,
        "relative_population": 0.2584477857004057
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "[NH-]c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O",
        "std_free_energy": 7.950138568878174,
        "relative_population": 0.23660171430098512
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]