[
  {
    "molid": "mol36925",
    "smiles": "O=S1(=O)N=CNc2ncn([C@@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S1(=O)N=CNc2ncn([C@@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c21",
        "std_free_energy": -6.206659317016602,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S1(=O)N=C[N-]c2ncn([C@@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c21",
        "std_free_energy": -5.169954299926758,
        "relative_population": 0.9999889918078797
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.3600001335144,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]