[
  {
    "molid": "mol14931",
    "smiles": "CCCCCCc1c(-c2ccccc2)n[nH]c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCc1c(-c2ccccc2)n[nH]c1O",
        "std_free_energy": -6.276222229003906,
        "relative_population": 0.999995545980435
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCCc1c(-c2ccccc2)n[nH]c1[O-]",
        "std_free_energy": -1.0630460977554321,
        "relative_population": 0.5735813907108793
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCCCc1c(-c2ccccc2)n[n-]c1O",
        "std_free_energy": -0.7665677666664124,
        "relative_population": 0.42641860928912073
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.6000004,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]