mixture17.mixfile

{
    "mixfileVersion": 1,
    "contents": 
    [
        {
            "contents": 
            [
                {
                    "molfile": "\nGenerated by WebMolKit\n\n  8  6  0  0  0  0  0  0  0  0999 V2000\n    1.5000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    2.7990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0980    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3970    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2010   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4250    2.5250    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  1  5  1  0  0  0  0\n  1  6  1  0  0  0  0\n  1  7  1  0  0  0  0\nM  CHG  2   1   1   8  -1\nM  END",
                    "contents": 
                    [],
                    "name": "choline chloride",
                    "ratio": 
                    [
                        1,
                        9
                    ]
                },
                {
                    "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2010   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0980    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0980    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  2  6  1  0  0  0  0\nM  END",
                    "contents": 
                    [],
                    "name": "glycerol",
                    "ratio": 
                    [
                        2,
                        9
                    ]
                },
                {
                    "molfile": "\nGenerated by WebMolKit\n\n  9 10  0  0  0  0  0  0  0  0999 V2000\n    5.5250    7.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2260    6.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2260    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5250    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8240    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8240    6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7994    6.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9177    5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7994    4.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  1  1  0  0  0  0\n  2  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9  3  1  0  0  0  0\nM  END",
                    "name": "DBN",
                    "contents": 
                    [],
                    "ratio": 
                    [
                        6,
                        9
                    ]
                }
            ]
        },
        {
            "name": "CO2",
            "molfile": "\nGenerated by WebMolKit\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  2  0  0  0  0\nM  END",
            "units": "%",
            "quantity": 11.3
        }
    ]
}