[
  {
    "molid": "mol25360",
    "smiles": "CN1NC=C(C(=O)O)N1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1NC=C(C(=O)O)N1N",
        "std_free_energy": -4.491281986236572,
        "relative_population": 0.5854528367731227
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        "id": "0_3",
        "charge": 0,
        "smiles": "CN1NC=C(C(=O)[O-])[NH+]1N",
        "std_free_energy": -3.6470723152160645,
        "relative_population": 0.2516844088203816
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      {
        "id": "0_4",
        "charge": 0,
        "smiles": "CN1NC=C(C(=O)[O-])N1[NH3+]",
        "std_free_energy": -3.1261353492736816,
        "relative_population": 0.1494914186393597
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        "id": "1_2",
        "charge": 1,
        "smiles": "CN1NC=C(C(=O)O)[NH+]1N",
        "std_free_energy": 5.534387111663818,
        "relative_population": 0.06935930395354697
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      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[NH+]1NC=C(C(=O)O)N1N",
        "std_free_energy": 5.379068851470947,
        "relative_population": 0.08101372277861948
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      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CN1[NH2+]C=C(C(=O)O)N1N",
        "std_free_energy": 3.6626482009887695,
        "relative_population": 0.45080695394095793
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      {
        "id": "1_9",
        "charge": 1,
        "smiles": "CN1NC=C(C(=O)O)N1[NH3+]",
        "std_free_energy": 3.8220596313476562,
        "relative_population": 0.3843785127828524
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      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1NC=C(C(=O)[O-])N1N",
        "std_free_energy": -9.79576587677002,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.77,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 0.29,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]