[
  {
    "molid": "mol8863",
    "smiles": "Cc1ccc(N(C)N)c(C)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(N(C)N)c(C)c1",
        "std_free_energy": -5.013250350952148,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc([NH+](C)N)c(C)c1",
        "std_free_energy": -2.65567684173584,
        "relative_population": 0.4855456702778883
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(N(C)[NH3+])c(C)c1",
        "std_free_energy": -2.713510274887085,
        "relative_population": 0.5144543297221118
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.03,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]