[
  {
    "molid": "mol31667",
    "smiles": "CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC[C@@H]1CO[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1",
        "std_free_energy": -6.383873462677002,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC[C@@H]1CO[C@](Cn2c[nH+]cn2)(c2ccc(Cl)cc2Cl)O1",
        "std_free_energy": 3.5947461128234863,
        "relative_population": 0.547608490272974
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCC[C@@H]1CO[C@](Cn2cnc[nH+]2)(c2ccc(Cl)cc2Cl)O1",
        "std_free_energy": 3.7857587337493896,
        "relative_population": 0.45239150972702596
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.09,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]