[
  {
    "molid": "mol33899",
    "smiles": "CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CO[C@@H]1[C@H]([O-])[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21",
        "std_free_energy": 8.026005744934082,
        "relative_population": 0.38319807638019465
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c([NH-])ncnc21",
        "std_free_energy": 8.102785110473633,
        "relative_population": 0.35487750041077176
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CO[C@@H]1[C@H](O)[C@@H](C[O-])O[C@H]1n1cnc2c(N)ncnc21",
        "std_free_energy": 8.406501770019531,
        "relative_population": 0.2619244232090336
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CO[C@@H]1[C@H](O)[C@@H](C[O-])O[C@H]1n1cnc2c([NH-])ncnc21",
        "std_free_energy": 11.51840877532959,
        "relative_population": 0.19172934216701054
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CO[C@@H]1[C@H]([O-])[C@@H](C[O-])O[C@H]1n1cnc2c(N)ncnc21",
        "std_free_energy": 10.307987213134766,
        "relative_population": 0.6432325117619303
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CO[C@@H]1[C@H]([O-])[C@@H](CO)O[C@H]1n1cnc2c([NH-])ncnc21",
        "std_free_energy": 11.668316841125488,
        "relative_population": 0.16503814607105918
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.5299997329712,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]