[
  {
    "molid": "mol33922",
    "smiles": "Nc1ncc(Cc2ccc3c(c2)OCO3)c(N)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ncc(Cc2ccc3c(c2)OCO3)c(N)n1",
        "std_free_energy": -5.275338172912598,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ncc(Cc2ccc3c(c2)OCO3)c(N)[nH+]1",
        "std_free_energy": -4.004652976989746,
        "relative_population": 0.11502874749067332
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      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1nc(N)c(Cc2ccc3c(c2)OCO3)c[nH+]1",
        "std_free_energy": -5.0708231925964355,
        "relative_population": 0.3340705809663887
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1nc([NH3+])ncc1Cc1ccc2c(c1)OCO2",
        "std_free_energy": -5.154915809631348,
        "relative_population": 0.36337846990851236
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      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Nc1ncc(Cc2ccc3c(c2)OCO3)c([NH3+])n1",
        "std_free_energy": -4.493368148803711,
        "relative_population": 0.1875222016344257
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.19999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]