[
  {
    "molid": "mol13434",
    "smiles": "Cc1c(O)cncc1C1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c(O)cncc1C1CCCCC1",
        "std_free_energy": -5.008774757385254,
        "relative_population": 0.9235412200066134
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1c([O-])c[nH+]cc1C1CCCCC1",
        "std_free_energy": -2.5173110961914062,
        "relative_population": 0.07645877999338661
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c(O)c[nH+]cc1C1CCCCC1",
        "std_free_energy": -2.93628191947937,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1c([O-])cncc1C1CCCCC1",
        "std_free_energy": 2.9824414253234863,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.5999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]