[
  {
    "molid": "mol13363",
    "smiles": "Cc1cc(C)n(Cc2cc(C)[nH]n2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C)n(Cc2cc(C)[nH]n2)n1",
        "std_free_energy": -7.331982612609863,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(C)n(Cc2cc(C)[nH][nH+]2)n1",
        "std_free_energy": 0.5258743762969971,
        "relative_population": 0.43630711637440334
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(Cn2[nH+]c(C)cc2C)n[nH]1",
        "std_free_energy": 0.2697111964225769,
        "relative_population": 0.5636928836255967
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1cc(Cn2[nH+]c(C)cc2C)[nH+][nH]1",
        "std_free_energy": 12.590646743774414,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.2,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]