[
  {
    "molid": "mol4675",
    "smiles": "COc1cnc2ccccc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cnc2ccccc2n1",
        "std_free_energy": -9.233348846435547,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1c[nH+]c2ccccc2n1",
        "std_free_energy": 5.574161052703857,
        "relative_population": 0.38854767365489257
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cnc2ccccc2[nH+]1",
        "std_free_energy": 5.120739936828613,
        "relative_population": 0.6114523263451075
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.28,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]