[
  {
    "molid": "mol16319",
    "smiles": "CNCC(OC)c1ccc(O)c(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH2+]C[C@H](OC)c1ccc(O)c([O-])c1",
        "std_free_energy": -3.4820382595062256,
        "relative_population": 0.3312106634407839
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        "id": "0_2",
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        "smiles": "CNC[C@H](OC)c1ccc(O)c(O)c1",
        "std_free_energy": -3.40411376953125,
        "relative_population": 0.3063812153544136
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        "id": "0_3",
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        "smiles": "C[NH2+]C[C@H](OC)c1ccc([O-])c(O)c1",
        "std_free_energy": -3.572054624557495,
        "relative_population": 0.36240812120480237
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      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CNC[C@H](OC)c1ccc(O)c([O-])c1",
        "std_free_energy": 4.022306442260742,
        "relative_population": 0.44086428138820555
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      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CNC[C@H](OC)c1ccc([O-])c(O)c1",
        "std_free_energy": 3.8101308345794678,
        "relative_population": 0.5450691589718806
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]