[
  {
    "molid": "mol14534",
    "smiles": "Cc1cc(O)n(-c2nc(C)c(C)c(O)n2)n1",
    "microspecies": [
      {
        "id": "0_6",
        "charge": 0,
        "smiles": "Cc1cc(O)n(-c2nc(C)c(C)c(O)n2)n1",
        "std_free_energy": -7.366140365600586,
        "relative_population": 0.9999178442625744
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc([O-])n(-c2nc(C)c(C)c(O)n2)n1",
        "std_free_energy": 2.3412601947784424,
        "relative_population": 0.48748716691027105
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(O)n(-c2nc(C)c(C)c([O-])n2)n1",
        "std_free_energy": 2.3106307983398438,
        "relative_population": 0.5026496277335055
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc([O-])n(-c2nc(C)c(C)c([O-])n2)n1",
        "std_free_energy": 9.596866607666016,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]