[
  {
    "molid": "mol16770",
    "smiles": "C(CCCCCCNC1=NCCN1)CCCCCNC1=NCCN1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C(CCCCCCNC1=NCCN1)CCCCC[N-]C1=NCCN1",
        "std_free_energy": 11.654296875,
        "relative_population": 0.2559550567267319
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C(CCCCCCNC1=NCCN1)CCCCCNC1=NCC[N-]1",
        "std_free_energy": 10.587197303771973,
        "relative_population": 0.7440449432732681
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "C(CCCCCCNC1=NCC[N-]1)CCCCCNC1=NCC[N-]1",
        "std_free_energy": 14.984676361083984,
        "relative_population": 0.2716930569774765
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "C(CCCCCCNC1=NCC[N-]1)CCCCC[N-]C1=NCCN1",
        "std_free_energy": 14.814123153686523,
        "relative_population": 0.3222173022042857
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "C(CCCCCC[N-]C1=NCCN1)CCCCC[N-]C1=NCCN1",
        "std_free_energy": 14.695514678955078,
        "relative_population": 0.36279380560243646
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]