[
  {
    "molid": "mol18682",
    "smiles": "O=C(O)c1ccccc1Nc1c2ccccc2nc2ccccc12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])c1ccccc1Nc1c2ccccc2[nH+]c2ccccc12",
        "std_free_energy": -10.928110122680664,
        "relative_population": 0.5285763132460816
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C([O-])c1ccccc1[NH2+]c1c2ccccc2nc2ccccc12",
        "std_free_energy": -10.812681198120117,
        "relative_population": 0.4709529834688932
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccccc1Nc1c2ccccc2nc2ccccc12",
        "std_free_energy": -6.207995414733887,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.28,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]