[
  {
    "molid": "mol15034",
    "smiles": "CCCCc1c(-c2ccccc2)nn(-c2ccccc2)c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCc1c(-c2ccccc2)nn(-c2ccccc2)c1O",
        "std_free_energy": -6.049618244171143,
        "relative_population": 0.9999980049002433
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCc1c(-c2ccccc2)nn(-c2ccccc2)c1[O-]",
        "std_free_energy": -3.9759562015533447,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.1999998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]