[
  {
    "molid": "mol10206",
    "smiles": "NCc1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCc1ccc(O)cc1",
        "std_free_energy": -2.473601818084717,
        "relative_population": 0.33151626514392807
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]Cc1ccc([O-])cc1",
        "std_free_energy": -3.1749370098114014,
        "relative_population": 0.6684837348560719
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]Cc1ccc(O)cc1",
        "std_free_energy": -9.579484939575195,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.14,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.1400003,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.14000034332275,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]