[
  {
    "molid": "mol14742",
    "smiles": "CCCCCCCCc1c(-c2ccccc2)n[nH]c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCCCCCc1c(-c2ccccc2)n[nH]c1O",
        "std_free_energy": -6.626091957092285,
        "relative_population": 0.9999994382252072
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCCCCc1c(-c2ccccc2)n[nH]c1[O-]",
        "std_free_energy": 3.392885208129883,
        "relative_population": 0.07898090254896896
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCCCCCc1c(-c2ccccc2)n[n-]c1O",
        "std_free_energy": 0.9366105198860168,
        "relative_population": 0.921019097451031
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]