[
  {
    "molid": "mol7898",
    "smiles": "Cc1cccc2ncnc(C)c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc2ncnc(C)c12",
        "std_free_energy": -7.832022190093994,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc2nc[nH+]c(C)c12",
        "std_free_energy": 1.4990299940109253,
        "relative_population": 0.47300985989648087
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc2[nH+]cnc(C)c12",
        "std_free_energy": 1.390964388847351,
        "relative_population": 0.5269901401035191
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.16,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]