[
  {
    "molid": "mol32579",
    "smiles": "COc1ccc(N=Nc2c(N)n[nH]c2N)cc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc(N=Nc2c([NH3+])n[nH]c2N)cc1",
        "std_free_energy": 1.325508952140808,
        "relative_population": 0.3163698564219507
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccc(N=[NH+]c2c(N)n[nH]c2N)cc1",
        "std_free_energy": 2.0146002769470215,
        "relative_population": 0.15882780629131746
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "COc1ccc(N=Nc2c(N)n[nH]c2[NH3+])cc1",
        "std_free_energy": 1.1534920930862427,
        "relative_population": 0.3757518003361226
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "COc1ccc(N=Nc2c(N)[nH][nH+]c2N)cc1",
        "std_free_energy": 2.0781354904174805,
        "relative_population": 0.1490505369506092
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "COc1ccc([NH+]=[NH+]c2c(N)n[nH]c2N)cc1",
        "std_free_energy": 9.834076881408691,
        "relative_population": 0.4157131340861583
      },
      {
        "id": "2_5",
        "charge": 2,
        "smiles": "COc1ccc(N=Nc2c([NH3+])n[nH]c2[NH3+])cc1",
        "std_free_energy": 11.661925315856934,
        "relative_population": 0.0668296608316393
      },
      {
        "id": "2_7",
        "charge": 2,
        "smiles": "COc1ccc([NH+]=Nc2c(N)n[nH]c2[NH3+])cc1",
        "std_free_energy": 10.233631134033203,
        "relative_population": 0.2787850872073109
      },
      {
        "id": "2_10",
        "charge": 2,
        "smiles": "COc1ccc([NH+]=Nc2c([NH3+])n[nH]c2N)cc1",
        "std_free_energy": 10.635870933532715,
        "relative_population": 0.18645713783753584
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.3900001,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]