[
  {
    "molid": "mol33223",
    "smiles": "CCCN=C(N)NC(=N)N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCN=C(N)NC(=N)N",
        "std_free_energy": 0.7277886867523193,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC[NH+]=C(N)NC(=N)N",
        "std_free_energy": -9.986620903015137,
        "relative_population": 0.4173969390552478
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCN=C(N)NC(N)=[NH2+]",
        "std_free_energy": -10.320089340209961,
        "relative_population": 0.5826030609447522
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CCC[NH+]=C(N)NC(N)=[NH2+]",
        "std_free_energy": -5.721711158752441,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCN=C(N)NC(=[N-])N",
        "std_free_energy": 8.593057632446289,
        "relative_population": 0.782255070649303
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCN=C(N)[N-]C(=N)N",
        "std_free_energy": 9.948376655578613,
        "relative_population": 0.2017162166399342
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.1,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]