[
  {
    "molid": "mol4654",
    "smiles": "Cc1ccc2c(C)[n+]([O-])cnc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc2c(C)[n+]([O-])cnc2c1",
        "std_free_energy": -7.407951354980469,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc2c(C)[n+]([O-])c[nH+]c2c1",
        "std_free_energy": 6.271639347076416,
        "relative_population": 0.09436741175919079
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc2c(C)[n+](O)cnc2c1",
        "std_free_energy": 4.010201454162598,
        "relative_population": 0.9056325882408092
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]