[
  {
    "molid": "mol38305",
    "smiles": "Cc1c(O)noc1CN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c(O)noc1CN",
        "std_free_energy": -4.341576099395752,
        "relative_population": 0.0826905425656363
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1c([O-])noc1C[NH3+]",
        "std_free_energy": -6.747915744781494,
        "relative_population": 0.9173094574343638
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1c(O)noc1C[NH3+]",
        "std_free_energy": -3.9971017837524414,
        "relative_population": 0.9598723772228005
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.76000022888184,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]