[
  {
    "molid": "mol26274",
    "smiles": "CC1=Nc2c(C)nc(O)nc2NC1(C)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1=Nc2c(C)nc(O)nc2[N-][C@@]1(C)O",
        "std_free_energy": 1.6792072057724,
        "relative_population": 0.32125345146133144
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        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1=Nc2c(C)nc(O)nc2N[C@@]1(C)[O-]",
        "std_free_energy": 2.202036142349243,
        "relative_population": 0.19045223789563723
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      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC1=Nc2c(C)nc([O-])nc2N[C@@]1(C)O",
        "std_free_energy": 1.26051926612854,
        "relative_population": 0.4882943106430314
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC1=Nc2c(C)nc([O-])nc2[N-][C@@]1(C)O",
        "std_free_energy": 10.94571590423584,
        "relative_population": 0.20158804227579236
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      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC1=Nc2c(C)nc(O)nc2[N-][C@@]1(C)[O-]",
        "std_free_energy": 9.759109497070312,
        "relative_population": 0.6603913590193444
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      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CC1=Nc2c(C)nc([O-])nc2N[C@@]1(C)[O-]",
        "std_free_energy": 11.324539184570312,
        "relative_population": 0.1380205987048632
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]