[
  {
    "molid": "mol35708",
    "smiles": "Cc1ccc2cc(C)nc(C)c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc2cc(C)nc(C)c2c1",
        "std_free_energy": -4.247135162353516,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc2cc(C)[nH+]c(C)c2c1",
        "std_free_energy": -3.8732690811157227,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.67000007629395,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]