[
  {
    "molid": "mol16153",
    "smiles": "OCCCCCNCc1c2ccccc2c(CNCCCCCO)c2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OCCCCCNCc1c2ccccc2c(CNCCCCCO)c2ccccc12",
        "std_free_energy": 0.2774491310119629,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OCCCCCNCc1c2ccccc2c(C[NH2+]CCCCCO)c2ccccc12",
        "std_free_energy": -7.811375617980957,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]