[
  {
    "molid": "mol15730",
    "smiles": "CCCc1c(-c2ccccc2)n[nH]c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCc1c(-c2ccccc2)n[nH]c1O",
        "std_free_energy": -6.0176005363464355,
        "relative_population": 0.9999712902151306
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCc1c(-c2ccccc2)n[nH]c1[O-]",
        "std_free_energy": -2.14465069770813,
        "relative_population": 0.665763457145832
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCc1c(-c2ccccc2)n[n-]c1O",
        "std_free_energy": -1.4555652141571045,
        "relative_population": 0.334236542854168
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]