[
  {
    "molid": "mol32306",
    "smiles": "CC=Cc1ccc2cccnc2c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC=Cc1ccc2cccnc2c1O",
        "std_free_energy": -6.66678524017334,
        "relative_population": 0.9990630291416206
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC=Cc1ccc2ccc[nH+]c2c1O",
        "std_free_energy": -2.3256912231445312,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC=Cc1ccc2cccnc2c1[O-]",
        "std_free_energy": 4.923352241516113,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.34,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.6599998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]