[
  {
    "molid": "mol36659",
    "smiles": "COCc1cncnc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COCc1cncnc1N",
        "std_free_energy": -6.287057876586914,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COCc1cnc[nH+]c1N",
        "std_free_energy": -2.122908353805542,
        "relative_population": 0.3849881840990373
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COCc1cncnc1[NH3+]",
        "std_free_energy": -1.599138855934143,
        "relative_population": 0.22802223480943162
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "COCc1c[nH+]cnc1N",
        "std_free_energy": -2.1280934810638428,
        "relative_population": 0.38698958109153114
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.90000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]