[
  {
    "molid": "mol4829",
    "smiles": "Cc1cnc2cncnc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cnc2cncnc2n1",
        "std_free_energy": -7.710116386413574,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cnc2cnc[nH+]c2n1",
        "std_free_energy": 0.07380583882331848,
        "relative_population": 0.3871555787167544
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cnc2c[nH+]cnc2n1",
        "std_free_energy": 0.29180771112442017,
        "relative_population": 0.3113210678419587
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      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1c[nH+]c2cncnc2n1",
        "std_free_energy": 1.1674368381500244,
        "relative_population": 0.12969630798425927
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      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1cnc2cncnc2[nH+]1",
        "std_free_energy": 0.8861440420150757,
        "relative_population": 0.17182704545702757
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    ],
    "macro_pka_values": [
      {
        "pka_value": 3.49,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.49000000953674,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]