[
  {
    "molid": "mol32385",
    "smiles": "CCCCN(C(=O)c1cccc(O)c1)c1ccc(N=Nc2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCN(C(=O)c1cccc(O)c1)c1ccc(N=Nc2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1",
        "std_free_energy": -6.535061359405518,
        "relative_population": 0.9999999894328166
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCN(C(=O)c1cccc([O-])c1)c1ccc(N=Nc2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1",
        "std_free_energy": 0.19548088312149048,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.54,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]