[
  {
    "molid": "mol18338",
    "smiles": "O=C(c1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)cc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(c1ccc(NC2=NCCN2)cc1)c1ccc(NC2=[NH+]CCN2)cc1",
        "std_free_energy": -8.388509750366211,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "O=C(c1ccc(NC2=[NH+]CCN2)cc1)c1ccc(NC2=[NH+]CCN2)cc1",
        "std_free_energy": -8.13414192199707,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.6,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]