[
  {
    "molid": "mol26238",
    "smiles": "CC1=Nc2cnc(O)nc2NC1O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1=Nc2cnc(O)nc2N[C-]1O",
        "std_free_energy": 1.2512309551239014,
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        "smiles": "CC1=Nc2cnc([O-])nc2N[C@@H]1O",
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        "relative_population": 0.41598796898677415
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        "smiles": "CC1=Nc2cnc(O)nc2[N-][C@@H]1O",
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        "id": "-2_1",
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        "std_free_energy": 9.528217315673828,
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      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CC1=Nc2cnc(O)nc2[N-][C@@H]1[O-]",
        "std_free_energy": 9.040725708007812,
        "relative_population": 0.10518598733093039
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        "id": "-2_4",
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        "smiles": "CC1=Nc2cnc(O)nc2[N-][C-]1O",
        "std_free_energy": 8.065866470336914,
        "relative_population": 0.27882638965210477
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      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "CC1=Nc2cnc([O-])nc2[N-][C@@H]1O",
        "std_free_energy": 9.584295272827148,
        "relative_population": 0.061078536906322166
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      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "CC1=Nc2cnc(O)nc2N[C-]1[O-]",
        "std_free_energy": 7.535905838012695,
        "relative_population": 0.4736885134925361
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    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]