[
  {
    "molid": "mol35345",
    "smiles": "Cc1cc(C)c2c(O)c(N=Nc3ccccc3)sc2n1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1cc(C)c2c(O)c(N=Nc3ccccc3)sc2n1",
        "std_free_energy": -5.928310871124268,
        "relative_population": 0.999614818551961
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(C)c2c([O-])c(N=Nc3ccccc3)sc2n1",
        "std_free_energy": -3.371741771697998,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.63000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]