[
  {
    "molid": "mol38467",
    "smiles": "CCCCOc1c2cc(N)cc1Cc1cc(N)cc(c1OCCCC)Cc1cc(N)cc(c1OCCCC)Cc1cc(N)cc(c1OCCCC)C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCOc1c2cc(N)cc1Cc1cc(N)cc(c1OCCCC)Cc1cc(N)cc(c1OCCCC)Cc1cc(N)cc(c1OCCCC)C2",
        "std_free_energy": -4.709105968475342,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCOc1c2cc(N)cc1Cc1cc(N)cc(c1OCCCC)Cc1cc([NH3+])cc(c1OCCCC)Cc1cc(N)cc(c1OCCCC)C2",
        "std_free_energy": -1.8505361080169678,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]