[
  {
    "molid": "mol14546",
    "smiles": "CCCCc1c(-c2ccccc2)n[nH]c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCc1c(-c2ccccc2)n[nH]c1O",
        "std_free_energy": -6.0642619132995605,
        "relative_population": 0.9999819831358125
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCc1c(-c2ccccc2)n[nH]c1[O-]",
        "std_free_energy": -1.9663712978363037,
        "relative_population": 0.6552619665751842
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCc1c(-c2ccccc2)n[n-]c1O",
        "std_free_energy": -1.3241209983825684,
        "relative_population": 0.3447380334248158
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.1999998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]