[
  {
    "molid": "mol14302",
    "smiles": "Cc1cnc([C@@H](O)[C@H](O)[C@H](O)CO)cn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cnc([C@@H](O)[C@H](O)[C@H](O)CO)cn1",
        "std_free_energy": -10.093048095703125,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c[nH+]c([C@@H](O)[C@H](O)[C@H](O)CO)cn1",
        "std_free_energy": -0.25873464345932007,
        "relative_population": 0.5565242727788792
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cnc([C@@H](O)[C@H](O)[C@H](O)CO)c[nH+]1",
        "std_free_energy": -0.03166692703962326,
        "relative_population": 0.4434757272211207
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]