[
  {
    "molid": "mol38139",
    "smiles": "c1c(C2=NCCCN2)cc(C2=NCCCN2)cc1C1=NCCCN1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1c(C2=NCCCN2)cc(C2=[NH+]CCCN2)cc1C1=NCCCN1",
        "std_free_energy": -8.15457820892334,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "c1c(C2=NCCCN2)cc(C2=[NH+]CCCN2)cc1C1=[NH+]CCCN1",
        "std_free_energy": -9.610095977783203,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.89999961853027,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]