[
  {
    "molid": "mol20527",
    "smiles": "CN(C)C1(CCCc2ccc(C(C)(C)C)cc2)COC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)C1(CCCc2ccc(C(C)(C)C)cc2)COC1",
        "std_free_energy": -4.115786552429199,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)C1(CCCc2ccc(C(C)(C)C)cc2)COC1",
        "std_free_energy": -7.047145366668701,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      },
      {
        "pka_value": 7.19999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]