[
  {
    "molid": "mol13044",
    "smiles": "N#Cc1ccc(O)c(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#Cc1ccc(O)c(O)c1",
        "std_free_energy": -6.207544326782227,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#Cc1ccc([O-])c(O)c1",
        "std_free_energy": -2.9582018852233887,
        "relative_population": 0.6188908846216689
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N#Cc1ccc(O)c([O-])c1",
        "std_free_energy": -2.473358631134033,
        "relative_population": 0.38110911537833125
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.72,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.7199998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.71999979019165,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]