[
  {
    "molid": "mol20827",
    "smiles": "O=C(O)Cc1ccccc1Nc1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)Cc1ccccc1Nc1ccccc1",
        "std_free_energy": -5.334530353546143,
        "relative_population": 0.9986601886653801
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])Cc1ccccc1Nc1ccccc1",
        "std_free_energy": -10.000335693359375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]