[
  {
    "molid": "mol10095",
    "smiles": "Oc1ccc2[nH]ncc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccc2[nH]ncc2c1",
        "std_free_energy": -7.252531051635742,
        "relative_population": 0.9999992455871552
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc2[nH]ncc2c1",
        "std_free_energy": 0.8822509050369263,
        "relative_population": 0.999021442890756
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.0500001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]