[
  {
    "molid": "mol10204",
    "smiles": "NCc1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCc1ccccc1O",
        "std_free_energy": -3.0661191940307617,
        "relative_population": 0.4098331286204937
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]Cc1ccccc1[O-]",
        "std_free_energy": -3.430774450302124,
        "relative_population": 0.5901668713795062
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]Cc1ccccc1O",
        "std_free_energy": -9.43635368347168,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.89,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.8900003,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.89000034332275,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]