validation.json

[
    {
        "name": "(S)-3-Amino-1,2-propanediol",
        "quantity": 98,
        "units": "%",
        "relation": "",
        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -2.5981    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 O   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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  3  6  1  6  0  0  0\nM  END",
        "mixfileVersion": 1,
        "originalName": "(S)-3-Amino-1,2-propanediol 98%"
    },
    {
        "mixfileVersion": 1,
        "originalName": "Carbon black, Super P® Conductive, 99+% (metals basis)",
        "name": "Carbon",
        "quantity": 99,
        "error": null,
        "ratio": null,
        "units": "%",
        "relation": ">=",
        "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0\nM  HYD  1   1   0\nM  END"
    },
    {
        "name": "Ethylmagnesium bromide",
        "molfile": "\nGenerated by WebMolKit\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    0.8119   -0.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8905    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6302   -0.1574    0.0000 Mg  0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0722    0.2553    0.0000 Br  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  3  4  1  0  0  0  0\nM  END",
        "mixfileVersion": 1,
        "originalName": "Ethylmagnesium bromide solution"
    },
    {
        "mixfileVersion": 1,
        "originalName": "2,3,3,5-Tetramethylindolenine, 96%",
        "name": "2,3,3,5-Tetramethylindolenine",
        "quantity": 96,
        "error": null,
        "ratio": null,
        "units": "%",
        "relation": null
    },
    {
        "contents": 
        [
            {
                "name": "Pentylmagnesium chloride",
                "quantity": 2,
                "units": "mol/L",
                "molfile": "\nGenerated by WebMolKit\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n    1.2213   -0.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0270    0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3561   -0.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5504    0.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9336   -0.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6044   -0.1145    0.0000 Mg  0  0  0  0  0  0  0  0  0  0  0  0\n    3.9875    0.4660    0.0000 Cl  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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  1  6  1  0  0  0  0\n  6  7  1  0  0  0  0\nM  END"
            },
            {
                "name": "THF",
                "molfile": "\nGenerated by WebMolKit\n\n  5  5  0  0  0  0  0  0  0  0999 V2000\n    0.5341    2.2636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6795    1.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2159   -0.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2841   -0.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7476    1.3819    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\nM  END"
            }
        ],
        "mixfileVersion": 1,
        "originalName": "Pentylmagnesium chloride solution 2.0 M in THF"
    },
    {
        "mixfileVersion": 1,
        "originalName": "Cephalexin hydrate, 97+%",
        "name": "Cephalexin hydrate",
        "quantity": 97,
        "error": null,
        "ratio": null,
        "units": "%",
        "relation": ">="
    },
    {
        "name": "4-Hydroxycoumarin",
        "quantity": 98,
        "units": "%",
        "relation": ">",
        "molfile": "\nGenerated by WebMolKit\n\n 12 13  0  0  0  0  0  0  0  0999 V2000\n   -0.5667    2.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7205    1.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0896    0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2434   -0.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0281   -1.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3410   -0.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5563   -1.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9254   -1.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0792    0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8639    1.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4948    0.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6125   -1.2612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n  4 12  2  0  0  0  0\n 11  2  1  0  0  0  0\n 11  6  1  0  0  0  0\nM  END",
        "mixfileVersion": 1,
        "originalName": "4-Hydroxycoumarin, 98+%"
    },
    {
        "mixfileVersion": 1,
        "originalName": "Nitroglycerin Standard, 0.1% in methanol",
        "contents": 
        [
            {
                "name": "Nitroglycerin",
                "quantity": 0.1,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 15 14  0  0  0  0  0  0  0  0999 V2000\n   -1.7260   -0.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3550   -0.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8576   -0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2285   -0.3370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4412   -1.2199    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    3.2829   -2.7115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8121   -0.6112    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -0.1968    1.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1742    2.0375    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    2.3868    1.1546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3324    3.5291    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -2.9386    0.2113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3095   -0.3975    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   -4.4678   -1.8891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.5222    0.4854    0.0000 O   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  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  5  7  1  0  0  0  0\n  2  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  0  0  0  0\n  9 11  1  0  0  0  0\n  1 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  2  0  0  0  0\n 13 15  1  0  0  0  0\nM  CHG  6   5   1   7  -1   9   1  11  -1  13   1  15  -1\nM  END"
            },
            {
                "name": "methanol",
                "molfile": "\nGenerated by WebMolKit\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500    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\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Hypophosphorous acid, 50% w/w aq. soln.",
        "contents": 
        [
            {
                "name": "Hypophosphorous acid",
                "quantity": 50,
                "error": null,
                "ratio": null,
                "units": "w/w%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.5000    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0\n   -1.2990   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.2500    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  1  0  0  0  0\nM  HYD  1   1   2\nM  END"
            },
            {
                "name": "water",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Sodium pyrophosphate decahydrate, ACS, 99.0-103.0%",
        "name": "Sodium pyrophosphate decahydrate",
        "quantity": 
        [
            99,
            103
        ],
        "error": null,
        "ratio": null,
        "units": "%",
        "relation": null,
        "molfile": "\nGenerated by WebMolKit\n\n 23  8  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    2.0000    0.0000 O   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    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0490    7.5981    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.2990    6.2990    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0\n    2.5981    5.5490    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.5490    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    7.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    6.2990    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0\n   -2.0490    7.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5490    5.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -2.5981    5.5490    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    7.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    8.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    0.0000    8.5981    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 12 14  2  0  0  0  0\n 12 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  2  0  0  0  0\n 16 18  1  0  0  0  0\n 16 19  1  0  0  0  0\nM  CHG  8  11  -1  13  -1  18  -1  19  -1  20   1  21   1  22   1  23   1\nM  END"
    },
    {
        "mixfileVersion": 1,
        "originalName": "Chromate, Ion chromatography standard solution, Specpure®, CrO4⁻2 1000µg/ml",
        "name": "Chromate",
        "quantity": 1000,
        "error": null,
        "ratio": null,
        "units": "mg/L",
        "relation": null,
        "molfile": "\nGenerated by WebMolKit\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7500    1.2990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.7500   -1.2990    0.0000 O   0  5  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\n  1  4  1  0  0  0  0\n  1  5  1  0  0  0  0\nM  CHG  2   4  -1   5  -1\nM  END"
    },
    {
        "mixfileVersion": 1,
        "originalName": "Potassium chloride, 0.005M, Conductivity Standard",
        "name": "Potassium chloride",
        "quantity": 0.005,
        "error": null,
        "ratio": null,
        "units": "mol/L",
        "relation": null,
        "molfile": "\nGenerated by WebMolKit\n\n  2  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n    1.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0\nM  CHG  2   1  -1   2   1\nM  END"
    },
    {
        "mixfileVersion": 1,
        "originalName": "Allyl vinyl ether, 95% stab. with 0.1% potassium hydroxide",
        "contents": 
        [
            {
                "name": "Allyl vinyl ether",
                "quantity": 95,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6677   -0.3416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6677    0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9270   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2624    0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\nM  END"
            },
            {
                "name": "potassium hydroxide",
                "quantity": 0.1,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  2  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0\nM  CHG  2   1  -1   2   1\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Yttrium(III) 2-methoxyethoxide, 5% w/v in 2-methoxyethanol",
        "contents": 
        [
            {
                "name": "Yttrium(III) 2-methoxyethoxide",
                "quantity": 5,
                "error": null,
                "ratio": null,
                "units": "w/v%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 16 12  0  0  0  0  0  0  0  0999 V2000\n   -2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981   -0.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.0000    4.9500    0.0000 Y   0  1  0  0  0  0  0  0  0  0  0  0\n   -2.5981    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    2.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981    1.4500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -2.5981    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    3.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981    3.2000    0.0000 O   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  4  5  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\nM  CHG  4   5  -1   6   3  11  -1  16  -1\nM  END"
            },
            {
                "name": "2-methoxyethanol",
                "molfile": "\nGenerated by WebMolKit\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n   -2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981   -0.3000    0.0000 O   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  1  0  0  0  0\n  4  5  1  0  0  0  0\nM  END"
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        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Methyllithium, 1.6M in diethyl ether, packaged under Nitrogen in resealable AcroSeal[t bottles",
        "contents": 
        [
            {
                "name": "Methyllithium",
                "quantity": 1.6,
                "error": null,
                "ratio": null,
                "units": "mol/L",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500    0.0000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\nM  END"
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            {
                "name": "diethyl ether",
                "molfile": "\nGenerated by WebMolKit\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n   -1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981   -0.3000    0.0000 C   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  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\nM  END"
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            {
                "name": "Nitrogen",
                "molfile": "\nGenerated by WebMolKit\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  3  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Puromycin, 10 mg/ml in distilled water, sterile-filtered",
        "contents": 
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                "name": "Puromycin",
                "quantity": 10,
                "error": null,
                "ratio": null,
                "units": "g/L",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 34 37  0  0  0  0  0  0  0  0999 V2000\n    3.4521   -1.4752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9813   -3.1179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4050    1.4873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4590    2.2659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7709    7.5589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8669   -4.1239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9871    0.1551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8669   -6.5452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1404   -3.8301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4244    1.9195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1404   -8.3434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1625   -6.0868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7683   -0.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7658   -2.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3383   -0.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3341   -2.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8760    1.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4432   -4.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8324    1.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7448   -5.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0510    2.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4432   -6.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8964    4.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1404   -6.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1149    4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1625   -4.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9603    6.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4884    4.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1625   -9.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4432   -9.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1790    7.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7069    5.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5523    6.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6162    9.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1 15  1  0  0  0  0\n  1 16  1  0  0  0  0\n 14  2  1  1  0  0  0\n  3 17  1  0  0  0  0\n  4 19  2  0  0  0  0\n  5 33  1  0  0  0  0\n  5 34  1  0  0  0  0\n 16  6  1  6  0  0  0\n  6 18  1  0  0  0  0\n  6 20  1  0  0  0  0\n 13  7  1  1  0  0  0\n  7 19  1  0  0  0  0\n  8 20  2  0  0  0  0\n  8 22  1  0  0  0  0\n  9 18  1  0  0  0  0\n  9 26  2  0  0  0  0\n 21 10  1  6  0  0  0\n 11 24  1  0  0  0  0\n 11 29  1  0  0  0  0\n 11 30  1  0  0  0  0\n 12 24  2  0  0  0  0\n 12 26  1  0  0  0  0\n 13 14  1  0  0  0  0\n 13 15  1  0  0  0  0\n 14 16  1  0  0  0  0\n 15 17  1  6  0  0  0\n 18 22  2  0  0  0  0\n 19 21  1  0  0  0  0\n 21 23  1  0  0  0  0\n 22 24  1  0  0  0  0\n 23 25  1  0  0  0  0\n 25 27  2  0  0  0  0\n 25 28  1  0  0  0  0\n 27 31  1  0  0  0  0\n 28 32  2  0  0  0  0\n 31 33  2  0  0  0  0\n 32 33  1  0  0  0  0\nM  END"
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            {
                "name": "water",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null,
        "quantity": null,
        "error": null,
        "ratio": null,
        "units": null,
        "relation": null,
        "molfile": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "2-(Dimethylamino)ethyl methacrylate, 97%, stab. with ca 0.2% 4-methoxyphenol",
        "contents": 
        [
            {
                "name": "2-(Dimethylamino)ethyl methacrylate",
                "quantity": 97,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 11 10  0  0  0  0  0  0  0  0999 V2000\n   -1.7489    0.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1047   -0.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3384    0.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2267   -1.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6269    1.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5152   -0.5052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8406    0.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0743   -0.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4300   -0.0748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6637   -0.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5521    1.4203    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  2  0  0  0  0\n  2  4  1  0  0  0  0\n  1  5  2  0  0  0  0\n  1  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n  9 11  1  0  0  0  0\nM  END"
            },
            {
                "name": "4-methoxyphenol",
                "quantity": 0.2,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": "~",
                "molfile": "\nGenerated by WebMolKit\n\n  9  9  0  0  0  0  0  0  0  0999 V2000\n   -3.4653    0.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5353   -0.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0511   -0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4968    1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9874    1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9174    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3631   -1.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1211   -1.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4016    0.3512    0.0000 O   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  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  6  9  1  0  0  0  0\n  8  3  1  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Chloroform, stabilized with ethanol, for HPLC, ACROS Organics™",
        "contents": 
        [
            {
                "name": "Chloroform",
                "molfile": "\nGenerated by WebMolKit\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.5000    0.0000 Cl  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\nM  END"
            },
            {
                "name": "ethanol",
                "molfile": "\nGenerated by WebMolKit\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.2500    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\nM  END"
            }
        ],
        "name": null
    },
    {
        "name": "(R)-2,2'-Bis[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxybiphenyl",
        "quantity": 97,
        "units": "%",
        "relation": ">",
        "mixfileVersion": 1,
        "originalName": "(R)-2,2'-Bis[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxybiphenyl, 97+%"
    },
    {
        "mixfileVersion": 1,
        "originalName": "tert-Butyl bromide, 98+%, stab. with potassium carbonate",
        "contents": 
        [
            {
                "name": "tert-Butyl bromide",
                "quantity": 98,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": ">=",
                "molfile": "\nGenerated by WebMolKit\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    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   -0.7500    1.2990    0.0000 Br  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  1  5  1  0  0  0  0\nM  END"
            },
            {
                "name": "potassium carbonate",
                "molfile": "\nGenerated by WebMolKit\n\n  6  3  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.7500    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0\n    2.2990    0.0000    0.0000 K   0  3  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  2  0  0  0  0\nM  CHG  4   2  -1   3  -1   5   1   6   1\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Styrene, 99%, stab. with 10-15ppm 4-tert-butylcatechol",
        "contents": 
        [
            {
                "name": "Styrene",
                "quantity": 99,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  8  8  0  0  0  0  0  0  0  0999 V2000\n   -3.0851    0.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0677   -0.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6045   -0.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1586    1.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3047    1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3221    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8762   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4129   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  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  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  3  1  0  0  0  0\nM  END"
            },
            {
                "name": "4-tert-butylcatechol",
                "quantity": 
                [
                    0.001,
                    0.0015
                ],
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 12 12  0  0  0  0  0  0  0  0999 V2000\n    2.2583   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0510   -1.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4657    1.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7439   -0.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7727    0.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1497   -1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6353   -0.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1985    0.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6841    0.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2761    1.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2095    1.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5576   -2.0476    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  1  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  9  1  0  0  0  0\n  8 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n  7 12  1  0  0  0  0\n  5 11  1  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "contents": 
        [
            {
                "name": "9-Borabicyclo[3.3.1]nonane",
                "quantity": 0.4,
                "units": "mol/L",
                "molfile": "\nGenerated by WebMolKit\n\n  9 10  0  0  0  0  0  0  0  0999 V2000\n    0.0833   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5833   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3333    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5833    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0833    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4167    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4167   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6667    0.0000    0.0000 B   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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  5  9  1  0  0  0  0\n  8  1  1  0  0  0  0\n  9  1  1  0  0  0  0\nM  HYD  1   9   1\nM  END"
            },
            {
                "name": "hexanes",
                "contents": 
                [
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                        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -3.4500   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1510    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8520   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4470    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7460   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0450    0.4000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  END"
                    },
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -6.9500    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6510    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3520    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0530    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7540    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0530    3.3000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\nM  END"
                    },
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -3.2500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9510    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6520    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6470    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9460    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6520    0.0000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  3  6  1  0  0  0  0\nM  END"
                    },
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    0.4500    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7635    2.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3000    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2000    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6635    2.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4500    4.8000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\n  1  6  1  0  0  0  0\nM  END"
                    }
                ]
            }
        ],
        "mixfileVersion": 1,
        "originalName": "9-Borabicyclo[3.3.1]nonane solution 0.4 M in hexanes"
    },
    {
        "mixfileVersion": 1,
        "originalName": "Acetic acid, 4% v/v aq. soln.",
        "contents": 
        [
            {
                "name": "Acetic acid",
                "quantity": 4,
                "error": null,
                "ratio": null,
                "units": "v/v%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    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  2  0  0  0  0\n  1  4  1  0  0  0  0\nM  END"
            },
            {
                "name": "water",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "1-Hexadecanethiol, 97% (dry wt.), may cont. up to 4% water",
        "contents": 
        [
            {
                "name": "1-Hexadecanethiol",
                "quantity": 97,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 17 16  0  0  0  0  0  0  0  0999 V2000\n    9.0933    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7942   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4952    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1962   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8971    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5981   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8971    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1962   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.4952    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.7942   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -9.0933    0.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  -10.3923   -0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3923   -0.3529    0.0000 S   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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n  1 17  1  0  0  0  0\nM  END"
            },
            {
                "name": "water",
                "quantity": 4,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": "<=",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "1-Methyl-3-propylimidazolium methyl carbonate solution ~50% in methanol",
        "contents": 
        [
            {
                "name": "1-Methyl-3-propylimidazolium methyl carbonate",
                "quantity": 50,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": "~",
                "molfile": "\nGenerated by WebMolKit\n\n 14 13  0  0  0  0  0  0  0  0999 V2000\n    0.5196    4.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7794    4.8756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0785    4.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8187    4.8756    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.5196    2.6256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1453   -1.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0105   -0.4513    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   -0.5499   -0.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2262    0.4908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7547    1.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1371    1.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7209    0.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5779   -0.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0725   -0.4870    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  1  4  1  0  0  0  0\n  1  5  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n  9 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 11  7  1  0  0  0  0\nM  CHG  2   4  -1   7   1\nM  END"
            },
            {
                "name": "methanol",
                "molfile": "\nGenerated by WebMolKit\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500    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\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Chlorophenol Red sodium salt, 0.04% w/v aq. soln.",
        "contents": 
        [
            {
                "name": "Chlorophenol Red sodium salt",
                "quantity": 0.04,
                "error": null,
                "ratio": null,
                "units": "w/v%",
                "relation": null
            },
            {
                "name": "water",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Humic acid sodium salt, tech. 50-60% (as humic acid)",
        "name": "Humic acid sodium salt",
        "quantity": 
        [
            50,
            60
        ],
        "error": null,
        "ratio": null,
        "units": "%",
        "relation": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "9-Phenanthrylmagnesium bromide, 0.25 M in 2-MeTHF",
        "contents": 
        [
            {
                "name": "9-Phenanthrylmagnesium bromide",
                "quantity": 0.25,
                "error": null,
                "ratio": null,
                "units": "mol/L",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 16 18  0  0  0  0  0  0  0  0999 V2000\n   -2.7869   -1.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0018   -0.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8475    0.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4782    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2632    0.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1061    1.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2605    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6298    3.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8448    2.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6904    0.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3211    0.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1667   -1.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2026   -1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4176   -1.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3817   -2.2257    0.0000 Mg  0  0  0  0  0  0  0  0  0  0  0  0\n    3.5966   -3.1054    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  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  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  2  0  0  0  0\n 12 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 14  1  1  0  0  0  0\n  5 14  1  0  0  0  0\n 11  6  1  0  0  0  0\nM  END"
            },
            {
                "name": "2-MeTHF"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Hydriodic acid, ~ 56% AR",
        "name": "Hydriodic acid",
        "quantity": 56,
        "error": null,
        "ratio": null,
        "units": "%",
        "relation": "~",
        "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0\nM  HYD  1   1   1\nM  END"
    },
    {
        "contents": 
        [
            {
                "name": "Bis[tetrakis(hydroxymethyl)phosphonium] sulfate",
                "quantity": 
                [
                    70,
                    75
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                "units": "%",
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                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
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        "contents": 
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                "quantity": 85,
                "error": null,
                "ratio": null,
                "units": "w/w%",
                "relation": null
            },
            {
                "name": "Lanthanum oxide",
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                "quantity": 15,
                "error": null,
                "ratio": null,
                "units": "w/w%",
                "relation": null
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        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Zinc peroxide, approximately 50% ZnO2",
        "contents": 
        [
            {
                "name": "Zinc peroxide",
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                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  3  3  0  0  0  0  0  0  0  0999 V2000\n    4.1679    1.0245    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0\n    3.4179   -0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6679    1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  2  1  0  0  0  0\nM  END"
            },
            {
                "name": "ZnO2"
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        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Hexafluorosilicic acid, 35% w/w aq. soln.",
        "contents": 
        [
            {
                "name": "Hexafluorosilicic acid",
                "quantity": 35,
                "error": null,
                "ratio": null,
                "units": "w/w%",
                "relation": null
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            {
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                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
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        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Luperox® ATC50, Benzoyl peroxide ~50 wt. % in tricresyl phosphate",
        "contents": 
        [
            {
                "name": "Benzoyl peroxide",
                "quantity": 50,
                "error": null,
                "ratio": null,
                "units": "w/w%",
                "relation": "~",
                "molfile": "\nGenerated by WebMolKit\n\n 18 19  0  0  0  0  0  0  0  0999 V2000\n    1.8297    0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2553    0.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5640   -1.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9895   -1.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1064   -0.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7977    0.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3721    1.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5210    2.2359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7128   -0.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7128    0.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8297   -0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2553   -0.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5640    1.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9895    1.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.1064    0.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.7977   -0.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3721   -1.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5210   -2.2359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  1  8  2  0  0  0  0\n  1  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  2  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  2  0  0  0  0\n 11 18  2  0  0  0  0\n  7  2  1  0  0  0  0\n 17 12  1  0  0  0  0\nM  END"
            },
            {
                "name": "tricresyl phosphate",
                "molfile": "\nGenerated by WebMolKit\n\n 26 28  0  0  0  0  0  0  0  0999 V2000\n   -0.0597   -1.0832    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0\n   -1.1075   -0.0099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9881   -2.1566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4415   -1.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4893   -2.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9428   -2.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3485   -1.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3007    0.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8472   -0.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8019   -0.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0137   -0.0354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6429    1.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7163    2.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3456    3.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0985    4.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1719    3.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8012    1.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4692    5.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1331   -2.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5772   -1.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9479   -0.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3920    0.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.4654   -0.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0947   -2.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6506   -2.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.9095   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  7 10  1  0  0  0  0\n  1 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  2  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  2  0  0  0  0\n 15 18  1  0  0  0  0\n  1 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  2  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  2  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  2  0  0  0  0\n 23 26  1  0  0  0  0\n  9  4  1  0  0  0  0\n 17 12  1  0  0  0  0\n 25 20  1  0  0  0  0\nM  END"
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        ],
        "name": null
    },
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        "mixfileVersion": 1,
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        "contents": 
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                "quantity": 
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                "error": null,
                "ratio": null,
                "units": "mol/L",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  3  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.0000    0.0000 Sm  0  2  0  0  0  0  0  0  0  0  0  0\n    1.0000    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0\nM  CHG  3   1  -1   2   2   3  -1\nM  END"
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            {
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        "name": null
    },
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        "mixfileVersion": 1,
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        "contents": 
        [
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                "quantity": 1,
                "error": null,
                "ratio": null,
                "units": "mol/L",
                "relation": null
            },
            {
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                "molfile": "\nGenerated by WebMolKit\n\n  5  5  0  0  0  0  0  0  0  0999 V2000\n    0.5341    2.2636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6795    1.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2159   -0.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2841   -0.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7476    1.3819    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\nM  END"
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        "mixfileVersion": 1,
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                "name": "Sodium Azide",
                "molfile": "\nGenerated by WebMolKit\n\n  4  2  0  0  0  0  0  0  0  0999 V2000\n   -1.5000    0.0000    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    1.5000    0.0000    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  2  0  0  0  0\nM  CHG  4   1  -1   2   1   3  -1   4   1\nM  END"
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            {
                "name": "PBS"
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        ],
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        ],
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        "quantity": null,
        "error": null,
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        "mixfileVersion": 1,
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                "name": "Phosphoric acid",
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                "error": null,
                "ratio": null,
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                "relation": null,
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            },
            {
                "name": "H2O",
                "quantity": 99.99,
                "error": null,
                "ratio": null,
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                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
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        ],
        "name": null
    },
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        "mixfileVersion": 1,
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                "name": "Zinc sulfate",
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                "error": null,
                "ratio": null,
                "units": "mmol/L",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  6  4  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7500    1.2990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.7500   -1.2990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.2990    0.0000    0.0000 Zn  0  2  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\n  1  4  1  0  0  0  0\n  1  5  1  0  0  0  0\nM  CHG  3   4  -1   5  -1   6   2\nM  END"
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            {
                "name": "water",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Dichloro[1,1'-bis(diphenylphosphino)ferrocene]palladium(II), complex with dichloromethane (1:1), Pd 13%",
        "contents": 
        [
            {
                "name": "Dichloro[1,1'-bis(diphenylphosphino)ferrocene]palladium(II)",
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                "error": null,
                "ratio": 
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                "quantity": null,
                "error": null,
                "ratio": 
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                ],
                "units": null,
                "relation": null
            }
        ],
        "name": null
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    {
        "mixfileVersion": 1,
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        "contents": 
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                "name": "Glyoxime",
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                "error": null,
                "ratio": null,
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            },
            {
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                "error": null,
                "ratio": null,
                "units": "%",
                "relation": "~",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Diborane 10% in hydrogen, 99.99% (diborane only), 9-11% (balance hydrogen), electronic grade",
        "contents": 
        [
            {
                "name": "Diborane",
                "quantity": 10,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  8  8  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5990    1.3287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5990   -1.3287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1981    0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4971   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4971    0.7500    0.0000 H   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  2  4  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  4  7  1  0  0  0  0\n  4  8  1  0  0  0  0\nM  ZBO  2   2   0   3   0\nM  ZPA  3   1   1   3   4\nM  ZPA  3   2   1   2   4\nM  END"
            },
            {
                "name": "hydrogen",
                "quantity": 99.99,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null
            }
        ],
        "name": null
    },
    {
        "contents": 
        [
            {
                "name": "1,3-Diiodopropane",
                "quantity": 98,
                "units": "%",
                "relation": ">",
                "molfile": "\nGenerated by WebMolKit\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n   -2.5981    0.3000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981    0.3000    0.0000 I   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  1  0  0  0  0\n  4  5  1  0  0  0  0\nM  END"
            },
            {
                "name": "copper",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "mixfileVersion": 1,
        "originalName": "1,3-Diiodopropane, 98+%, stab. with copper"
    },
    {
        "mixfileVersion": 1,
        "originalName": "Aluminum calcium isopropoxide, 99.8% (metals basis), 10% w/v in isopropanol",
        "contents": 
        [
            {
                "name": "Aluminum calcium isopropoxide",
                "quantity": 99.8,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 22 15  0  0  0  0  0  0  0  0999 V2000\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   10.0000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    0.0000    9.0000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0\n   -1.2990    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    4.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.2990    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5981    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    8.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.2990    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1962    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.4952   -0.7500    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  2  4  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  8 10  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 12 14  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 16 18  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 20 22  1  0  0  0  0\nM  CHG  7   3  -1   5   2   6   3   9  -1  13  -1  17  -1  21  -1\nM  END"
            },
            {
                "name": "isopropanol",
                "molfile": "\nGenerated by WebMolKit\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    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\nM  END",
                "quantity": 10,
                "error": null,
                "ratio": null,
                "units": "w/v%",
                "relation": null
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "FCS blocking buffer in TBS",
        "contents": 
        [
            {
                "name": "FCS blocking buffer"
            },
            {
                "name": "TBS"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Yttrium(III) isopropoxide, 20-25% w/w in toluene",
        "contents": 
        [
            {
                "name": "Yttrium(III) isopropoxide",
                "quantity": 
                [
                    20,
                    25
                ],
                "error": null,
                "ratio": null,
                "units": "w/w%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 13  9  0  0  0  0  0  0  0  0999 V2000\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    5.7500    0.0000 Y   0  1  0  0  0  0  0  0  0  0  0  0\n   -1.2990    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    4.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.2990    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5981    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.8971   -0.7500    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  2  4  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 13  1  0  0  0  0\nM  CHG  4   3  -1   5   3   8  -1  12  -1\nM  END"
            },
            {
                "name": "toluene",
                "molfile": "\nGenerated by WebMolKit\n\n  7  7  0  0  0  0  0  0  0  0999 V2000\n    2.5714    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0714    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3214   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1786   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1786    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3214    1.2990    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  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  2  1  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "3-Bromo-2-butanone, 97%, stab. with <1% magnesium oxide",
        "contents": 
        [
            {
                "name": "3-Bromo-2-butanone",
                "quantity": 97,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -1.5000    1.2990    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5000   -1.2990    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  1  0  0  0  0\n  3  5  2  0  0  0  0\n  2  6  1  0  0  0  0\nM  END"
            },
            {
                "name": "magnesium oxide",
                "quantity": 1,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": "<",
                "molfile": "\nGenerated by WebMolKit\n\n  2  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0\n    1.0000    0.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0\nM  CHG  2   1  -2   2   2\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Potassium hydroxide 40% w/v solution",
        "name": "Potassium hydroxide",
        "quantity": 40,
        "error": null,
        "ratio": null,
        "units": "w/v%",
        "relation": null,
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                "name": "Titanium(diisopropoxide) bis(2,4-pentanedionate)",
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                "ratio": null,
                "units": "%",
                "relation": null
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        ],
        "name": null
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        "mixfileVersion": 1,
        "originalName": "Amphetamine-d11 solution 100 ug/mL in methanol",
        "contents": 
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                "name": "Amphetamine-d11",
                "quantity": 100,
                "error": null,
                "ratio": null,
                "units": "mg/L",
                "relation": null,
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            {
                "name": "methanol",
                "molfile": "\nGenerated by WebMolKit\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500    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\nM  END"
            }
        ],
        "name": null
    },
    {
        "contents": 
        [
            {
                "name": "Pentane",
                "quantity": 4992,
                "units": "ppm",
                "molfile": "\nGenerated by WebMolKit\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n   -2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981   -0.3000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\nM  END"
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            {
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                "molfile": "\nGenerated by WebMolKit\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  3  0  0  0  0\nM  END"
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        ],
        "mixfileVersion": 1,
        "originalName": "Pentane, 4992 ppm in Nitrogen"
    },
    {
        "mixfileVersion": 1,
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        "contents": 
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                "name": "Lithium tetraborate",
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                "quantity": 33,
                "error": null,
                "ratio": null,
                "units": "w/w%",
                "relation": null
            },
            {
                "name": "Lithium metaborate",
                "molfile": "\nGenerated by WebMolKit\n\n  4  2  0  0  0  0  0  0  0  0999 V2000\n    2.6495   -0.3750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.2476   -0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9485    0.3750    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3505    0.3750    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0\n  1  3  1  0  0  0  0\n  2  3  2  0  0  0  0\nM  CHG  2   1  -1   4   1\nM  END",
                "quantity": 61.5,
                "error": null,
                "ratio": null,
                "units": "w/w%",
                "relation": null
            },
            {
                "name": "Sodium nitrate",
                "molfile": "\nGenerated by WebMolKit\n\n  5  3  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.7500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\nM  CHG  4   1   1   3  -1   4  -1   5   1\nM  END",
                "quantity": 5.5,
                "error": null,
                "ratio": null,
                "units": "w/w%",
                "relation": null
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Platinum, nominally 30%, Ruthenium, nominally 15% on carbon black, HiSPEC® 7000",
        "contents": 
        [
            {
                "name": "Platinum",
                "quantity": 30,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            },
            {
                "name": "Ruthenium",
                "quantity": 15,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            },
            {
                "name": "carbon",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0\nM  HYD  1   1   0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "1,4-Naphthoquinone, 97+% (dry wt.), cont. up to 5% water",
        "contents": 
        [
            {
                "name": "1,4-Naphthoquinone",
                "quantity": 97,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": ">=",
                "molfile": "\nGenerated by WebMolKit\n\n 12 13  0  0  0  0  0  0  0  0999 V2000\n   -1.0825    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3816    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3816   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0825   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2165   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5155   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8146   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8146    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5155    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2165    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0825   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0825    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  0  0  0  0\n  4 11  2  0  0  0  0\n  1 12  2  0  0  0  0\n 10  1  1  0  0  0  0\n 10  5  1  0  0  0  0\nM  END"
            },
            {
                "name": "water",
                "quantity": 5,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Micronomicin sulfate, 590 µg/mg",
        "name": "Micronomicin sulfate",
        "quantity": 59,
        "error": null,
        "ratio": null,
        "units": "w/w%",
        "relation": null
    },
    {
        "mixfileVersion": 1,
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        "contents": 
        [
            {
                "name": "Xylenes",
                "quantity": 98.5,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": ">="
            },
            {
                "name": "ethylbenzene",
                "molfile": "\nGenerated by WebMolKit\n\n  8  8  0  0  0  0  0  0  0  0999 V2000\n   -2.0677   -0.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0851    0.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6045   -0.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1586    1.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3047    1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3221    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8762   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4129   -1.4050    0.0000 C   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  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  3  1  0  0  0  0\nM  END"
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        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Barium zirconium isopropoxide, 10% w/v in isopropanol, packaged under Argon in resealable ChemSeal bottles",
        "contents": 
        [
            {
                "name": "Barium zirconium isopropoxide",
                "quantity": 10,
                "error": null,
                "ratio": null,
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                "relation": null,
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                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 Ar  0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
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        ],
        "mixfileVersion": 1,
        "originalName": "1000 ug/mL Potassium in 2% Nitric Acid"
    },
    {
        "mixfileVersion": 1,
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        "contents": 
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            {
                "name": "moisture",
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                "error": null,
                "ratio": null,
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                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    1.5000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
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        "units": "mg/L",
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                "error": null,
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                "quantity": 0.02,
                "error": null,
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                "relation": null
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        "name": null
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    {
        "mixfileVersion": 1,
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            {
                "name": "PBS",
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                "ratio": null,
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            {
                "name": "sodium azide",
                "molfile": "\nGenerated by WebMolKit\n\n  4  2  0  0  0  0  0  0  0  0999 V2000\n   -1.5000    0.0000    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    1.5000    0.0000    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  2  0  0  0  0\nM  CHG  4   1  -1   2   1   3  -1   4   1\nM  END",
                "quantity": 0.02,
                "error": null,
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                "relation": null
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    {
        "mixfileVersion": 1,
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        "contents": 
        [
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                "name": "1,4-Dioxane",
                "quantity": 99,
                "error": null,
                "ratio": null,
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                "relation": ">=",
                "molfile": "\nGenerated by WebMolKit\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    1.5000    0.0000    0.0000 O   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   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5000    0.0000    0.0000 O   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    0.7500    1.2990    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  1  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\nM  END"
            },
            {
                "name": "BHT",
                "quantity": 
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                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 16 16  0  0  0  0  0  0  0  0999 V2000\n    2.2164    0.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8146    2.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2164   -2.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8146    0.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5154   -1.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5154   -0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1136   -0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8146   -2.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8146    3.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3145    2.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3145    2.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9174   -3.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9664   -3.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4664   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1136   -1.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4125   -2.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0  0  0  0\n  2  4  1  0  0  0  0\n  2  9  1  0  0  0  0\n  2 10  1  0  0  0  0\n  2 11  1  0  0  0  0\n  3  5  1  0  0  0  0\n  3 12  1  0  0  0  0\n  3 13  1  0  0  0  0\n  3 14  1  0  0  0  0\n  4  6  2  0  0  0  0\n  4  7  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5  8  2  0  0  0  0\n  7 15  2  0  0  0  0\n  8 15  1  0  0  0  0\n 15 16  1  0  0  0  0\nM  END"
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        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
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        "contents": 
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                "name": "1-Ethyl-3-methylimidazolium tetrafluoroborate",
                "quantity": 98,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": ">=",
                "molfile": "\nGenerated by WebMolKit\n\n 13 12  0  0  0  0  0  0  0  0999 V2000\n    1.5000    3.7891    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    3.7891    0.0000 B   0  5  0  0  0  0  0  0  0  0  0  0\n   -1.5000    3.7891    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    5.2891    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    2.2891    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1342   -0.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2986    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7331   -0.2358    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    0.5238   -1.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6908   -0.1120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1551    1.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3429    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1392   -0.5022    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  2  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  6  7  1  0  0  0  0\n  6  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 10 13  1  0  0  0  0\n 12  8  1  0  0  0  0\nM  CHG  2   2  -1   8   1\nM  END"
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        "mixfileVersion": 1,
        "originalName": "Platinum(IV) nitrate, solution, Pt 15% w/w",
        "name": "Platinum(IV) nitrate",
        "quantity": 15,
        "error": null,
        "ratio": null,
        "units": "w/w%",
        "relation": null,
        "molfile": "\nGenerated by WebMolKit\n\n 17 12  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.8971    0.0000    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    3.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    4.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -1.2990    4.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.5981    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    3.5981   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8971    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.2990    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.0000    6.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    0.0000    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    7.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -1.2990    7.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  6  7  2  0  0  0  0\n  6  8  1  0  0  0  0\n  6  9  1  0  0  0  0\n 10 11  2  0  0  0  0\n 10 12  1  0  0  0  0\n 10 13  1  0  0  0  0\n 14 15  2  0  0  0  0\n 14 16  1  0  0  0  0\n 14 17  1  0  0  0  0\nM  CHG  8   1   1   3  -1   4  -1   5   4   6   1   8  -1   9  -1  10   1\nM  CHG  5  12  -1  13  -1  14   1  16  -1  17  -1\nM  END"
    },
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        "mixfileVersion": 1,
        "originalName": "1H,1H-Perfluorooctyl acrylate, 97%, stab. with 50ppm 4-methoxyphenol",
        "contents": 
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                "name": "1H,1H-Perfluorooctyl acrylate",
                "quantity": 97,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null
            },
            {
                "name": "4-methoxyphenol",
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                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  9  9  0  0  0  0  0  0  0  0999 V2000\n   -3.4653    0.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5353   -0.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0511   -0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4968    1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9874    1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9174    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3631   -1.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1211   -1.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4016    0.3512    0.0000 O   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  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  6  9  1  0  0  0  0\n  8  3  1  0  0  0  0\nM  END"
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        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Diisobutylaluminum hydride, 25% w/w in hexane, packaged under Argon in resealable ChemSeal™ bottles",
        "contents": 
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                "name": "Diisobutylaluminum hydride",
                "quantity": 25,
                "error": null,
                "ratio": null,
                "units": "w/w%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  9  8  0  0  0  0  0  0  0  0999 V2000\n   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 Al  0  0  0  0  0  3  0  0  0  0  0  0\n    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981   -1.5000    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  2  4  1  0  0  0  0\n  1  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  1  0  0  0  0\nM  HYD  1   5   1\nM  END"
            },
            {
                "name": "hexane",
                "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6677   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6677    0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9270   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2624    0.2097    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  END"
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            {
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                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 Ar  0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Methylmagnesium bromide solution ~3.4 M in 2-methyltetrahydrofuran",
        "contents": 
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                "name": "Methylmagnesium bromide",
                "quantity": 3.4,
                "error": null,
                "ratio": null,
                "units": "mol/L",
                "relation": "~",
                "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    0.0000    0.0000    0.0000 Mg  0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    0.0000    0.0000 Br  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\nM  END"
            },
            {
                "name": "2-methyltetrahydrofuran",
                "molfile": "\nGenerated by WebMolKit\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    2.3133    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8133    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0684    1.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4949    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4949   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0684   -1.2135    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  2  1  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Diethylzinc, nominally 15% w/w in hexanes",
        "contents": 
        [
            {
                "name": "Diethylzinc",
                "quantity": 15,
                "error": null,
                "ratio": null,
                "units": "w/w%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    1.5000   -0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2500    0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.5196    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5000   -0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2500    0.7794    0.0000 C   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  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\nM  END"
            },
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                "name": "hexanes",
                "contents": 
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                        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -3.4500   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1510    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8520   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4470    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7460   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0450    0.4000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  END"
                    },
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -6.9500    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6510    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3520    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0530    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7540    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0530    3.3000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\nM  END"
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                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -3.2500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9510    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6520    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6470    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9460    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6520    0.0000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  3  6  1  0  0  0  0\nM  END"
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                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    0.4500    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7635    2.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3000    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2000    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6635    2.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4500    4.8000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\n  1  6  1  0  0  0  0\nM  END"
                    }
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        "name": null
    },
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        "mixfileVersion": 1,
        "originalName": "Spectroflux 125, 51% Lithium tetraborate, 27% Lithium metaborate, 12% Lanthanum Oxide, 10% Lithium Fluoride Fused Flux",
        "contents": 
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            {
                "name": "Lithium tetraborate",
                "quantity": 51,
                "error": null,
                "ratio": null,
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                "relation": null,
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            },
            {
                "name": "Lithium metaborate",
                "quantity": 27,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  4  2  0  0  0  0  0  0  0  0999 V2000\n    2.6495   -0.3750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.2476   -0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9485    0.3750    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3505    0.3750    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0\n  1  3  1  0  0  0  0\n  2  3  2  0  0  0  0\nM  CHG  2   1  -1   4   1\nM  END"
            },
            {
                "name": "Lanthanum Oxide",
                "quantity": 12,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  5  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.0000    0.0000 La  0  1  0  0  0  0  0  0  0  0  0  0\n    1.0000    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0\n    0.0000    2.0000    0.0000 La  0  1  0  0  0  0  0  0  0  0  0  0\nM  CHG  5   1  -2   2   3   3  -2   4  -2   5   3\nM  END"
            },
            {
                "name": "Lithium Fluoride",
                "molfile": "\nGenerated by WebMolKit\n\n  2  0  0  0  0  0  0  0  0  0999 V2000\n    1.0000    0.0000    0.0000 F   0  5  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0\nM  CHG  2   1  -1   2   1\nM  END",
                "quantity": 10,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Dysprosium(III) isopropoxide, 99.9% (REO), 5% w/v in toluene/isopropanol",
        "contents": 
        [
            {
                "name": "Dysprosium(III) isopropoxide",
                "quantity": 5,
                "error": null,
                "ratio": null,
                "units": "w/v%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 13  9  0  0  0  0  0  0  0  0999 V2000\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    5.7500    0.0000 Dy  0  1  0  0  0  0  0  0  0  0  0  0\n   -1.2990    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    4.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.2990    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5981    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.8971   -0.7500    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  2  4  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 13  1  0  0  0  0\nM  CHG  4   3  -1   5   3   8  -1  12  -1\nM  END"
            },
            {
                "name": "toluene/isopropanol"
            }
        ],
        "name": null
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    {
        "mixfileVersion": 1,
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        "name": "Ethidium bromide",
        "molfile": "\nGenerated by WebMolKit\n\n 25 27  0  0  0  0  0  0  0  0999 V2000\n   11.6087    3.5239    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0\n    5.0798    4.2277    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    7.7587    8.7954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5147    3.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7806    3.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0798    5.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4816    4.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7806    6.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4816    5.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3788    3.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7806    1.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4448    6.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1407    3.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7566    8.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1407    6.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4568    8.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2185    4.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6778    4.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1036    8.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2185    5.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4816    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0798    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4816   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0798   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7806   -1.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  5  1  0  0  0  0\n  2  6  2  0  0  0  0\n  2 10  1  0  0  0  0\n  3 16  1  0  0  0  0\n  4 17  1  0  0  0  0\n  5  7  2  0  0  0  0\n  5 11  1  0  0  0  0\n  6  8  1  0  0  0  0\n  6 12  1  0  0  0  0\n  7  9  1  0  0  0  0\n  7 13  1  0  0  0  0\n  8  9  2  0  0  0  0\n  8 14  1  0  0  0  0\n  9 15  1  0  0  0  0\n 10 18  1  0  0  0  0\n 11 21  2  0  0  0  0\n 11 22  1  0  0  0  0\n 12 16  2  0  0  0  0\n 13 17  2  0  0  0  0\n 14 19  2  0  0  0  0\n 15 20  2  0  0  0  0\n 16 19  1  0  0  0  0\n 17 20  1  0  0  0  0\n 21 23  1  0  0  0  0\n 22 24  2  0  0  0  0\n 23 25  2  0  0  0  0\n 24 25  1  0  0  0  0\nM  CHG  2   1  -1   2   1\nM  END",
        "quantity": 0.625,
        "error": null,
        "ratio": null,
        "units": "g/L",
        "relation": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Cephalexin, 50 mg/ml in 1M ammonium hydroxide, sterile-filtered",
        "contents": 
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                "name": "Cephalexin",
                "quantity": 50,
                "error": null,
                "ratio": null,
                "units": "g/L",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 25 27  0  0  0  0  0  0  0  0999 V2000\n    2.3615   -1.5381    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2315    1.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0725   -0.0239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0624    3.7120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6606    3.7120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6606    0.7119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2315   -1.8572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3485   -3.9830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6606   -0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1731   -0.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1731    0.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3615    1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0624   -0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0624    0.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6813   -1.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2366    1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3615    2.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7397   -2.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1895   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2480   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5807   -0.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6977   -2.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0304   -0.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0889   -1.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9881   -2.0204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  9  1  0  0  0  0\n  1 13  1  0  0  0  0\n  2 11  2  0  0  0  0\n  3 15  2  0  0  0  0\n  4 17  1  0  0  0  0\n  5 17  2  0  0  0  0\n  6  9  1  0  0  0  0\n  6 11  1  0  0  0  0\n  6 12  1  0  0  0  0\n 10  7  1  1  0  0  0\n  7 15  1  0  0  0  0\n 18  8  1  1  0  0  0\n  9 10  1  0  0  0  0\n  9 25  1  6  0  0  0\n 10 11  1  0  0  0  0\n 12 14  2  0  0  0  0\n 12 17  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 16  1  0  0  0  0\n 15 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  2  0  0  0  0\n 19 21  1  0  0  0  0\n 20 22  1  0  0  0  0\n 21 23  2  0  0  0  0\n 22 24  2  0  0  0  0\n 23 24  1  0  0  0  0\nM  END"
            },
            {
                "name": "ammonium hydroxide",
                "quantity": 1,
                "error": null,
                "ratio": null,
                "units": "mol/L",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  2  0  0  0  0  0  0  0  0  0999 V2000\n    1.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\nM  CHG  2   1  -1   2   1\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Niobium potassium isopropoxide, 2.5% w/v in isopropanol, 99% (metals basis)",
        "contents": 
        [
            {
                "name": "Niobium potassium isopropoxide",
                "quantity": 2.5,
                "error": null,
                "ratio": null,
                "units": "w/v%",
                "relation": null,
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            },
            {
                "name": "isopropanol",
                "quantity": 99,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    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\nM  END"
            }
        ],
        "name": null
    },
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        "mixfileVersion": 1,
        "originalName": "2-Thienyllithium solution 1.0 M in THF/hexanes",
        "contents": 
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            {
                "name": "2-Thienyllithium",
                "quantity": 1,
                "error": null,
                "ratio": null,
                "units": "mol/L",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n   -0.0684   -1.2135    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8133    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0684    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4949    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4949   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3133    0.0000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  2  6  1  0  0  0  0\n  5  1  1  0  0  0  0\nM  END"
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            {
                "name": "THF/hexanes",
                "contents": 
                [
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  5  5  0  0  0  0  0  0  0  0999 V2000\n    1.1000    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1135    2.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3500    1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8500    1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3135    2.8683    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\nM  END",
                        "name": "THF"
                    },
                    {
                        "contents": 
                        [
                            {
                                "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -9.8500    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.5510    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.2519    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.9529    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6538    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3548    2.3000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  END"
                            },
                            {
                                "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -8.5510    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.2519    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.9529    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6538    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3548    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.2519    0.0500    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  2  6  1  0  0  0  0\nM  END"
                            },
                            {
                                "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -8.5510    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.2519    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.9529    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6538    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3548    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.9529    3.8000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  3  6  1  0  0  0  0\nM  END"
                            },
                            {
                                "molfile": "\nGenerated by WebMolKit\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    1.3000    4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0865    3.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5500    2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0500    2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5135    3.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3000    6.1000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\n  1  6  1  0  0  0  0\nM  END"
                            }
                        ],
                        "name": "hexanes"
                    }
                ]
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Propan-2-ol 70% v/v",
        "name": "Propan-2-ol",
        "quantity": 70,
        "error": null,
        "ratio": null,
        "units": "v/v%",
        "relation": null,
        "molfile": "\nGenerated by WebMolKit\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 O   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  2  4  1  0  0  0  0\nM  END"
    },
    {
        "mixfileVersion": 1,
        "originalName": "Cerium(IV) and Perchloric acid, Etchant Solution, Ce(IV) concentration 0.30N",
        "contents": 
        [
            {
                "name": "Cerium(IV)",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 Ce  0  0  0  0  0  0  0  0  0  0  0  0\nM  CHG  1   1   4\nM  END"
            },
            {
                "name": "Perchloric acid",
                "quantity": 0.3,
                "error": null,
                "ratio": null,
                "units": "mol/L",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 Cl  0  1  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.7500   -1.2990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -0.7500    1.2990    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  1  5  1  0  0  0  0\nM  CHG  4   1   3   2  -1   3  -1   4  -1\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Graphite powder, nickel coated, -100 mesh, Ni 99.8% (metals basis)",
        "contents": 
        [
            {
                "name": "Graphite",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    2.0000    0.0000    0.0000 C   0  0  0  0  0 15  0  0  0  0  0  0\nM  HYD  1   1   0\nM  END"
            },
            {
                "name": "Ni",
                "quantity": 99.8,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null
            }
        ],
        "name": null,
        "quantity": null,
        "error": null,
        "ratio": null,
        "units": null,
        "relation": null,
        "molfile": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "L-(+)-Lactic acid, ca 85-90% aq. soln.",
        "contents": 
        [
            {
                "name": "L-(+)-Lactic acid",
                "quantity": 
                [
                    85,
                    90
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                "error": null,
                "ratio": null,
                "units": "%",
                "relation": "~",
                "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5000   -1.2990    0.0000 O   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  2  4  1  6  0  0  0\n  1  5  2  0  0  0  0\n  1  6  1  0  0  0  0\nM  END"
            },
            {
                "name": "water",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Amido Black 10B, 0.2% v/v soln. in 5% acetic acid",
        "contents": 
        [
            {
                "name": "Amido Black 10B",
                "quantity": 0.2,
                "error": null,
                "ratio": null,
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                "name": "Nafion® D-521",
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                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 21 15  0  0  0  0  0  0  0  0999 V2000\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    9.0000    0.0000 Ta  0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    4.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.2990    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5981    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    8.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.2990    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1962    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.4952   -0.7500    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  2  4  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 13  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 15 17  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 19 21  1  0  0  0  0\nM  CHG  6   3  -1   5   5   8  -1  12  -1  16  -1  20  -1\nM  END"
            },
            {
                "name": "isopropanol/hexane",
                "quantity": 10,
                "error": null,
                "ratio": null,
                "units": "w/v%",
                "relation": null
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "n-Butyllithium, 1.6M in hexanes, packaged under Nitrogen in resealable AcroSeal[t bottles",
        "contents": 
        [
            {
                "name": "n-Butyllithium",
                "quantity": 1.6,
                "error": null,
                "ratio": null,
                "units": "mol/L",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    1.2990   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5981    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981    0.3000    0.0000 Li  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  1  0  0  0  0\n  1  5  1  0  0  0  0\nM  END"
            },
            {
                "name": "hexanes",
                "contents": 
                [
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -3.4500   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1510    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8520   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4470    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7460   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0450    0.4000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  END"
                    },
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -6.9500    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6510    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3520    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0530    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7540    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0530    3.3000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\nM  END"
                    },
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -3.2500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9510    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6520    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6470    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9460    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6520    0.0000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  3  6  1  0  0  0  0\nM  END"
                    },
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    0.4500    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7635    2.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3000    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2000    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6635    2.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4500    4.8000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\n  1  6  1  0  0  0  0\nM  END"
                    }
                ]
            },
            {
                "name": "Nitrogen",
                "molfile": "\nGenerated by WebMolKit\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  3  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "beta-Nicotinamide adenine dinucleotide phosphate monopotassium salt, ca 90%",
        "name": "beta-Nicotinamide adenine dinucleotide phosphate monopotassium salt",
        "quantity": 90,
        "error": null,
        "ratio": null,
        "units": "%",
        "relation": "~"
    },
    {
        "mixfileVersion": 1,
        "originalName": "Myosmine, 98%, may contain up to 2% water",
        "contents": 
        [
            {
                "name": "Myosmine",
                "quantity": 98,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null
            },
            {
                "name": "water",
                "quantity": 2,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": "<=",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2,2,2]octane bis(tetrafluoroborate) on aluminum oxide ≥95.0% (T)",
        "contents": 
        [
            {
                "name": "1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2,2,2]octane bis(tetrafluoroborate)",
                "molfile": "\nGenerated by WebMolKit\n\n 20 19  0  0  0  0  0  0  0  0999 V2000\n    1.5000    3.7889    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    3.7889    0.0000 B   0  5  0  0  0  0  0  0  0  0  0  0\n   -1.5000    3.7889    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    5.2889    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    2.2889    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5000    0.0000    0.0000 B   0  5  0  0  0  0  0  0  0  0  0  0\n    4.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5000    1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5000   -1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0000   -0.0101    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5000   -0.0101    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   -0.7500   -1.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500   -1.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000   -0.0101    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    0.7500    1.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7500    1.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6782    0.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6782    0.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0000   -0.0101    0.0000 O   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  2  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  1  0  0  0  0\n  7 10  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 15 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 15 20  1  0  0  0  0\n 17 12  1  0  0  0  0\n 19 12  1  0  0  0  0\nM  CHG  4   2  -1   7  -1  12   1  15   1\nM  END"
            },
            {
                "name": "aluminum oxide",
                "quantity": 95,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": ">=",
                "molfile": "\nGenerated by WebMolKit\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    0.4524    5.9870    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0\n    1.7514    6.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0505    5.9870    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8466    6.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3495    6.7370    0.0000 O   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  1  4  2  0  0  0  0\n  3  5  2  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "name": "3-Chloroperbenzoic acid",
        "quantity": 77,
        "units": "%",
        "relation": "<=",
        "molfile": "\nGenerated by WebMolKit\n\n 11 11  0  0  0  0  0  0  0  0999 V2000\n    2.9159   -2.0849    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    2.0948   -0.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5972   -0.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2239    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4527    1.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9503    1.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7714    0.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7216    0.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5427    1.5143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3982   -1.0798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8959   -1.1632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  4  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  8 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n  7  2  1  0  0  0  0\nM  END",
        "mixfileVersion": 1,
        "originalName": "3-Chloroperbenzoic acid ≤77%"
    },
    {
        "mixfileVersion": 1,
        "originalName": "Lithium diisopropylamide solution 2.0 M in THF/heptane/ethylbenzene",
        "contents": 
        [
            {
                "name": "Lithium diisopropylamide",
                "quantity": 2,
                "error": null,
                "ratio": null,
                "units": "mol/L",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  8  6  0  0  0  0  0  0  0  0999 V2000\n    2.2990    0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0000    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2990   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5981    0.8571    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0\n    4.8971    0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1962    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8971   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 Li  0  3  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  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5  7  1  0  0  0  0\nM  CHG  2   4  -1   8   1\nM  END"
            },
            {
                "name": "THF/heptane/ethylbenzene",
                "contents": 
                [
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  5  5  0  0  0  0  0  0  0  0999 V2000\n    0.0500    2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1635    1.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7000    0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8000    0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2635    1.9683    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\nM  END"
                    },
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5980    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8970    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1960    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4950    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7940    0.0000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\nM  END"
                    },
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  8  8  0  0  0  0  0  0  0  0999 V2000\n    0.2500    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0490    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0490   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2500   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5490   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5490    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2500    3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5490    4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  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  2  0  0  0  0\n  6  1  1  0  0  0  0\n  1  7  1  0  0  0  0\n  7  8  1  0  0  0  0\nM  END"
                    }
                ]
            }
        ],
        "name": null
    },
    {
        "contents": 
        [
            {
                "name": "B-Iodo-9-BBN",
                "quantity": 1,
                "units": "mol/L"
            },
            {
                "name": "hexanes",
                "contents": 
                [
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -3.4500   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1510    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8520   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4470    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7460   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0450    0.4000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  END"
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                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -6.9500    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6510    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3520    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0530    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7540    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0530    3.3000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\nM  END"
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        ],
        "mixfileVersion": 1,
        "originalName": "B-Iodo-9-BBN solution 1.0 M in hexanes"
    },
    {
        "mixfileVersion": 1,
        "originalName": "Tetramethylammonium formate solution 30 wt. % in H2O, ≥99.99% trace metals basis",
        "contents": 
        [
            {
                "name": "Tetramethylammonium formate",
                "quantity": 30,
                "error": null,
                "ratio": null,
                "units": "w/w%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  8  6  0  0  0  0  0  0  0  0999 V2000\n    3.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2990    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8971    0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    1.2990    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   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5  7  1  0  0  0  0\n  5  8  1  0  0  0  0\nM  CHG  2   3  -1   5   1\nM  END"
            },
            {
                "name": "H2O",
                "quantity": 99.99,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": ">=",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
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        ],
        "name": null
    },
    {
        "contents": 
        [
            {
                "name": "Phosgene-13C",
                "quantity": 1,
                "units": "mol/L",
                "relation": "~",
                "molfile": "\nGenerated by WebMolKit\n\n  4  3  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\nM  ISO  1   1  13\nM  END"
            },
            {
                "name": "benzene",
                "quantity": 99,
                "units": "%",
                "molfile": "\nGenerated by WebMolKit\n\n  6  6  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    0.7500   -1.2990    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   -1.5000    0.0000    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    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  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  2  0  0  0  0\n  6  1  1  0  0  0  0\nM  END"
            }
        ],
        "mixfileVersion": 1,
        "originalName": "Phosgene-13C solution ~1 M in benzene, 99 atom % 13C"
    },
    {
        "contents": 
        [
            {
                "name": "Dicyclohexylcarbodiimide",
                "quantity": 60,
                "units": "w/w%",
                "molfile": "\nGenerated by WebMolKit\n\n 15 16  0  0  0  0  0  0  0  0999 V2000\n    2.2500   -0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7500   -0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5000    0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7500    1.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2500    1.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000   -2.0785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -2.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5000   -2.0785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2500   -0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5000    0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2500    1.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7500    1.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5000    0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7500   -0.7794    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  1  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n  6  1  1  0  0  0  0\n 15 10  1  0  0  0  0\nM  END"
            },
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                "name": "xylenes",
                "contents": 
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                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  8  8  0  0  0  0  0  0  0  0999 V2000\n    0.3500    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9490    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9490    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3500    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6490    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6490    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3500    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9480    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  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  2  0  0  0  0\n  6  1  1  0  0  0  0\n  1  7  1  0  0  0  0\n  5  8  1  0  0  0  0\nM  END"
                    },
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  8  8  0  0  0  0  0  0  0  0999 V2000\n    0.5000    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7990    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7990    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5000   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7990    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7990    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5000    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0980    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  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  2  0  0  0  0\n  6  1  1  0  0  0  0\n  1  7  1  0  0  0  0\n  6  8  1  0  0  0  0\nM  END"
                    }
                ]
            }
        ],
        "mixfileVersion": 1,
        "originalName": "Dicyclohexylcarbodiimide solution 60 wt. % in xylenes"
    },
    {
        "mixfileVersion": 1,
        "originalName": "Lithium diisobutyl-tert-butoxyaluminum hydride solution 0.25 M in THF/hexanes",
        "contents": 
        [
            {
                "name": "Lithium diisobutyl-tert-butoxyaluminum hydride",
                "quantity": 0.25,
                "error": null,
                "ratio": null,
                "units": "mol/L",
                "relation": null
            },
            {
                "name": "THF/hexanes",
                "contents": 
                [
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  5  5  0  0  0  0  0  0  0  0999 V2000\n    1.1000    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1135    2.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3500    1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8500    1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3135    2.8683    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\nM  END",
                        "name": "THF"
                    },
                    {
                        "contents": 
                        [
                            {
                                "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -9.8500    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.5510    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.2519    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.9529    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6538    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3548    2.3000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  END"
                            },
                            {
                                "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -8.5510    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.2519    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.9529    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6538    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3548    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.2519    0.0500    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  2  6  1  0  0  0  0\nM  END"
                            },
                            {
                                "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -8.5510    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.2519    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.9529    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6538    1.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3548    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.9529    3.8000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  3  6  1  0  0  0  0\nM  END"
                            },
                            {
                                "molfile": "\nGenerated by WebMolKit\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    1.3000    4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0865    3.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5500    2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0500    2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5135    3.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3000    6.1000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\n  1  6  1  0  0  0  0\nM  END"
                            }
                        ],
                        "name": "hexanes"
                    }
                ]
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "2-tert-Butylimino-2-diethylamino-1,3-dimethylperhydro-1,3,2-diazaphosphorine solution 1 M in hexane, ≥97% (GC), 97% (GC)",
        "contents": 
        [
            {
                "name": "2-tert-Butylimino-2-diethylamino-1,3-dimethylperhydro-1,3,2-diazaphosphorine",
                "quantity": 1,
                "error": null,
                "ratio": null,
                "units": "mol/L",
                "relation": null,
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                "error": null,
                "ratio": null,
                "units": "%",
                "relation": ">=",
                "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6677   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6677    0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9270   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2624    0.2097    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  END"
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        "contents": 
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                "name": "2-(Methacryloyloxy)ethyltrimethylammonium chloride",
                "quantity": 72,
                "error": null,
                "ratio": null,
                "units": "%",
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                "error": null,
                "ratio": null,
                "units": null,
                "relation": null,
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                "quantity": 
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                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null
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        "name": null
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    {
        "contents": 
        [
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                "name": "1,1,1,3,3,3-Hexafluoroisopropyl acrylate",
                "quantity": 98,
                "units": "%",
                "relation": ">"
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            {
                "name": "4-methoxyphenol",
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                "units": "ppm",
                "molfile": "\nGenerated by WebMolKit\n\n  9  9  0  0  0  0  0  0  0  0999 V2000\n   -3.4653    0.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5353   -0.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0511   -0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4968    1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9874    1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9174    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3631   -1.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1211   -1.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4016    0.3512    0.0000 O   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  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  6  9  1  0  0  0  0\n  8  3  1  0  0  0  0\nM  END"
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        "mixfileVersion": 1,
        "originalName": "1,1,1,3,3,3-Hexafluoroisopropyl acrylate, 98+%, stab. with 50ppm 4-methoxyphenol"
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        "mixfileVersion": 1,
        "originalName": "Acetone-d6, 100%(Isotopic), contains 0.03% v/v TMS",
        "contents": 
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                "quantity": 100,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 10  9  0  0  0  0  0  0  0  0999 V2000\n    1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0490   -1.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5490    1.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5981    0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0490   -1.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5490    1.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981    0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  2  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  4  7  1  0  0  0  0\n  1  8  1  0  0  0  0\n  1  9  1  0  0  0  0\n  1 10  1  0  0  0  0\nM  ISO  6   5   2   6   2   7   2   8   2   9   2  10   2\nM  END"
            },
            {
                "name": "TMS",
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                "error": null,
                "ratio": null,
                "units": "v/v%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n   -0.5000    1.4500    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5000    2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5000   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0000    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0000    1.4500    0.0000 C   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  1  5  1  0  0  0  0\nM  END"
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        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Pyridine-d5, 99.5% (Isotopic), contains 0.05% v/v TMS",
        "contents": 
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                "name": "Pyridine-d5",
                "quantity": null,
                "error": null,
                "ratio": null,
                "units": null,
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 11 11  0  0  0  0  0  0  0  0999 V2000\n    0.0000   -1.7727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981   -1.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981    1.2273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    2.7273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5981    1.2273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5981   -1.7727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  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  2  0  0  0  0\n  6  7  1  0  0  0  0\n  5  8  1  0  0  0  0\n  4  9  1  0  0  0  0\n  3 10  1  0  0  0  0\n  2 11  1  0  0  0  0\n  6  1  1  0  0  0  0\nM  ISO  5   7   2   8   2   9   2  10   2  11   2\nM  END"
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            {
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                "error": null,
                "ratio": null,
                "units": "v/v%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n   -0.5000    1.4500    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5000    2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5000   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0000    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0000    1.4500    0.0000 C   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  1  5  1  0  0  0  0\nM  END"
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    },
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        "mixfileVersion": 1,
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        "contents": 
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                "name": "n-Heptane",
                "quantity": 99,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": ">=",
                "molfile": "\nGenerated by WebMolKit\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8971   -0.3214    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\nM  END"
            },
            {
                "name": "Molecular Sieve"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Lithium diisopropylamide, 2M sol. in THF/n-heptane/ethylbenzene, AcroSeal™, ACROS Organics™",
        "contents": 
        [
            {
                "name": "Lithium diisopropylamide",
                "quantity": 2,
                "error": null,
                "ratio": null,
                "units": "mol/L",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  8  6  0  0  0  0  0  0  0  0999 V2000\n    2.2990    0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0000    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2990   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5981    0.8571    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0\n    4.8971    0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1962    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8971   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 Li  0  3  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  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5  7  1  0  0  0  0\nM  CHG  2   4  -1   8   1\nM  END"
            },
            {
                "contents": 
                [
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  5  5  0  0  0  0  0  0  0  0999 V2000\n    1.5000   -1.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2865   -2.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500   -3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2500   -3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7135   -2.5567    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\nM  END",
                        "name": "THF"
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        "name": null,
        "quantity": 100,
        "error": null,
        "ratio": null,
        "units": "mg/L",
        "relation": null,
        "molfile": "\nGenerated by WebMolKit\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n   -0.7500    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\nM  END"
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    {
        "mixfileVersion": 1,
        "originalName": "Spectroflux® 105A, Li2B4O7: Li2CO3: NaNO3: La2O3: NaBr, 77:10:10:2:1 w/w%",
        "contents": 
        [
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                "name": "Li2B4O7",
                "quantity": 77,
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                "ratio": null,
                "units": "w/w%",
                "relation": null
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            {
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                "ratio": null,
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                "relation": null
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            {
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                "molfile": "\nGenerated by WebMolKit\n\n  5  3  0  0  0  0  0  0  0  0999 V2000\n    0.4910   -1.0001    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   -0.4330    5.0001    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.8660    2.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.1650    5.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8660    4.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n  2  5  1  0  0  0  0\n  3  5  1  0  0  0  0\n  4  5  2  0  0  0  0\nM  CHG  4   1   1   2  -1   3  -1   5   1\nM  END",
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                "error": null,
                "ratio": null,
                "units": "w/w%",
                "relation": null
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            {
                "name": "La2O3",
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                "name": "NaBr",
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    {
        "mixfileVersion": 1,
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        "contents": 
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                "name": "Lithium tetraborate",
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                "quantity": 82,
                "error": null,
                "ratio": null,
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                "relation": null
            },
            {
                "name": "Lathanum oxide",
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                "error": null,
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        "contents": 
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                "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -2.5981    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981    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  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  END"
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            {
                "name": "BSA",
                "quantity": 1,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 12 11  0  0  0  0  0  0  0  0999 V2000\n    1.9999    0.1594    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n    7.1961    0.1594    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n    3.2989    0.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8972    0.9094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7008   -0.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2498    1.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7499   -1.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4954   -0.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9462    1.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4462   -1.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5981    0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5981   -1.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  3  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\n  2  4  1  0  0  0  0\n  2  8  1  0  0  0  0\n  2  9  1  0  0  0  0\n  2 10  1  0  0  0  0\n  3 11  1  0  0  0  0\n  4 11  2  3  0  0  0\n 11 12  1  0  0  0  0\nM  END"
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        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Silica gel, TLC high purity grade, with gypsum binder and fluorescent indicator",
        "contents": 
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                "molfile": "\nGenerated by WebMolKit\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    2.8660    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n    4.1650    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5670   -0.7500    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"
            },
            {
                "name": "gypsum"
            },
            {
                "name": "fluorescent indicator"
            }
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        "name": null
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        "contents": 
        [
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                "name": "Lithium bis(trimethylsilyl)amide",
                "quantity": 20,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 10  8  0  0  0  0  0  0  0  0999 V2000\n    1.5490    1.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2990    0.0833    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n    3.0490   -1.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0000   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5981    0.8333    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0\n    4.8971    0.0833    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n    5.6471    1.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1471   -1.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1962   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 Li  0  3  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  2  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  6  8  1  0  0  0  0\n  6  9  1  0  0  0  0\nM  CHG  2   5  -1  10   1\nM  END"
            },
            {
                "contents": 
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                        "name": "THF",
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                    },
                    {
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                        "molfile": "\nGenerated by WebMolKit\n\n  8  8  0  0  0  0  0  0  0  0999 V2000\n   -1.1500    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4490    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4490    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1500    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1490    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1490    2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1500    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1490    5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  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  2  0  0  0  0\n  6  1  1  0  0  0  0\n  1  7  1  0  0  0  0\n  7  8  1  0  0  0  0\nM  END"
                    }
                ],
                "name": "THF/ethylbenzene"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Potassium bis(trimethylsilyl)amide, 20% w/w, 0.91M in THF, packaged under Argon in resealable ChemSeal™ bottles",
        "contents": 
        [
            {
                "name": "Potassium bis(trimethylsilyl)amide",
                "molfile": "\nGenerated by WebMolKit\n\n 10  8  0  0  0  0  0  0  0  0999 V2000\n   -2.0490    1.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.0833    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5490   -1.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5981   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.8333    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.0833    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0\n    2.0490    1.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5490   -1.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    2.3824    0.0000 K   0  3  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  2  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  6  8  1  0  0  0  0\n  6  9  1  0  0  0  0\nM  CHG  2   5  -1  10   1\nM  END"
            },
            {
                "name": "THF",
                "molfile": "\nGenerated by WebMolKit\n\n  5  5  0  0  0  0  0  0  0  0999 V2000\n    0.5341    2.2636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6795    1.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2159   -0.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2841   -0.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7476    1.3819    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\nM  END"
            },
            {
                "name": "Argon",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 Ar  0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Cobalt(II) 2-methoxyethoxide, 5% w/v in 2-methoxyethanol, 99% (m.b.), packaged under Ar in resealable ChemSeal bottles",
        "contents": 
        [
            {
                "name": "Cobalt(II) 2-methoxyethoxide",
                "quantity": 5,
                "error": null,
                "ratio": null,
                "units": "w/v%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 11  8  0  0  0  0  0  0  0  0999 V2000\n   -2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981   -0.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.0000    3.2000    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0\n   -2.5981    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    2.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981    1.4500    0.0000 O   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  4  5  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\nM  CHG  3   5  -1   6   2  11  -1\nM  END"
            },
            {
                "name": "2-methoxyethanol",
                "quantity": 99,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n   -2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981   -0.3000    0.0000 O   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  1  0  0  0  0\n  4  5  1  0  0  0  0\nM  END"
            },
            {
                "name": "Ar",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    2.0000    0.0000    0.0000 Ar  0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Aluminum lactate, 90-95%, contains ≈5% water",
        "contents": 
        [
            {
                "name": "Aluminum lactate",
                "quantity": 
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                    90,
                    95
                ],
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 19 15  0  0  0  0  0  0  0  0999 V2000\n   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5000   -1.2990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.0000    5.8971    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0\n   -0.7500    3.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500    3.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    2.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    4.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5000    4.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5000    2.2990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5000    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5000   -1.2990    0.0000 O   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  2  4  1  0  0  0  0\n  1  5  2  0  0  0  0\n  1  6  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n  9 11  1  0  0  0  0\n  8 12  2  0  0  0  0\n  8 13  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 15 17  1  0  0  0  0\n 14 18  2  0  0  0  0\n 14 19  1  0  0  0  0\nM  CHG  4   6  -1   7   3  13  -1  19  -1\nM  END"
            },
            {
                "name": "water",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END",
                "quantity": 5,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Diethyl ether, ACS, 98% min, stab. with 0.001% BHT and 3% ethanol",
        "contents": 
        [
            {
                "name": "Diethyl ether",
                "quantity": 98,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": ">=",
                "molfile": "\nGenerated by WebMolKit\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n   -1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5981   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981   -0.3000    0.0000 C   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  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\nM  END"
            },
            {
                "name": "BHT",
                "quantity": 0.001,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 16 16  0  0  0  0  0  0  0  0999 V2000\n    2.2164    0.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8146    2.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2164   -2.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8146    0.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5154   -1.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5154   -0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1136   -0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8146   -2.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8146    3.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3145    2.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3145    2.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9174   -3.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9664   -3.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4664   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1136   -1.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4125   -2.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0  0  0  0\n  2  4  1  0  0  0  0\n  2  9  1  0  0  0  0\n  2 10  1  0  0  0  0\n  2 11  1  0  0  0  0\n  3  5  1  0  0  0  0\n  3 12  1  0  0  0  0\n  3 13  1  0  0  0  0\n  3 14  1  0  0  0  0\n  4  6  2  0  0  0  0\n  4  7  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5  8  2  0  0  0  0\n  7 15  2  0  0  0  0\n  8 15  1  0  0  0  0\n 15 16  1  0  0  0  0\nM  END"
            },
            {
                "name": "ethanol",
                "molfile": "\nGenerated by WebMolKit\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.2500    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\nM  END",
                "quantity": 3,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "1,4-Dioxane, anhydrous, 99.8%, stab. with 1-3ppm BHT, packaged under Argon in resealable ChemSeal™ bottles",
        "contents": 
        [
            {
                "name": "1,4-Dioxane",
                "quantity": 99.8,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    1.5000    0.0000    0.0000 O   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   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5000    0.0000    0.0000 O   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    0.7500    1.2990    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  1  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\nM  END"
            },
            {
                "name": "BHT",
                "quantity": 
                [
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                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 16 16  0  0  0  0  0  0  0  0999 V2000\n    2.2164    0.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8146    2.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2164   -2.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8146    0.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5154   -1.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5154   -0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1136   -0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8146   -2.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8146    3.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3145    2.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3145    2.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9174   -3.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9664   -3.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4664   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1136   -1.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4125   -2.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  1  0  0  0  0\n  2  4  1  0  0  0  0\n  2  9  1  0  0  0  0\n  2 10  1  0  0  0  0\n  2 11  1  0  0  0  0\n  3  5  1  0  0  0  0\n  3 12  1  0  0  0  0\n  3 13  1  0  0  0  0\n  3 14  1  0  0  0  0\n  4  6  2  0  0  0  0\n  4  7  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5  8  2  0  0  0  0\n  7 15  2  0  0  0  0\n  8 15  1  0  0  0  0\n 15 16  1  0  0  0  0\nM  END"
            },
            {
                "name": "Argon",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 Ar  0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Ethanol, anhydrous, denatured, 85.8%, 13.3% methanol, 0.9% MIBK",
        "contents": 
        [
            {
                "name": "Ethanol",
                "quantity": 85.8,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.2500    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\nM  END"
            },
            {
                "name": "methanol",
                "quantity": 13.3,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500    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\nM  END"
            },
            {
                "name": "MIBK",
                "quantity": 0.9,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null
            }
        ],
        "name": null,
        "molfile": null,
        "quantity": null,
        "error": null,
        "ratio": null,
        "units": null,
        "relation": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Deuterium chloride, 20% w/w in D2O, 99.96% (Isotopic)",
        "contents": 
        [
            {
                "name": "Deuterium chloride",
                "quantity": 20,
                "error": null,
                "ratio": null,
                "units": "w/w%",
                "relation": null
            },
            {
                "name": "D2O",
                "quantity": 99.96,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 H   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\nM  ISO  2   2   2   3   2\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Ethanol, denatured, 91.6%, 3.7% methanol, 1.9% MIBK, 1% heptane, 1% ethyl acetate, 1% toluene (v/v)",
        "contents": 
        [
            {
                "name": "Ethanol",
                "molfile": "\nGenerated by WebMolKit\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.2500    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\nM  END",
                "quantity": 91.6,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null
            },
            {
                "name": "methanol",
                "quantity": 3.7,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500    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\nM  END"
            },
            {
                "name": "MIBK",
                "quantity": 1.9,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n    1.0893    0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2689    0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3020   -1.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3029    0.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4825   -0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8748    0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  1  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  END"
            },
            {
                "name": "heptane",
                "quantity": 1,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8971   -0.3214    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\nM  END"
            },
            {
                "name": "ethyl acetate",
                "quantity": 1,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n    1.0893    0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2689    0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3020   -1.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3029    0.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4825   -0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8748    0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  1  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  END"
            },
            {
                "name": "toluene",
                "quantity": 1,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  7  7  0  0  0  0  0  0  0  0999 V2000\n    2.5714    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0714    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3214   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1786   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1786    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3214    1.2990    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  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  2  1  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Isopentyl acetate, 99%, cont. ca 10% other isomers",
        "contents": 
        [
            {
                "name": "Isopentyl acetate",
                "quantity": 99,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  9  8  0  0  0  0  0  0  0  0999 V2000\n   -2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  1  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  1  0  0  0  0\nM  END"
            },
            {
                "name": "other",
                "quantity": 10,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": "~"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "n-Heptane, Spectrophotometric Grade, 99+% n-Heptane 96% min",
        "contents": 
        [
            {
                "name": "n-Heptane",
                "quantity": 99,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": ">=",
                "molfile": "\nGenerated by WebMolKit\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8971   -0.3214    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\nM  END"
            },
            {
                "name": "n-Heptane",
                "quantity": 96,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": ">=",
                "molfile": "\nGenerated by WebMolKit\n\n  7  6  0  0  0  0  0  0  0  0999 V2000\n   -3.8971   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981    0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8971   -0.3214    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Hydrogen chloride, 4M in 1,4-dioxane, 99%",
        "contents": 
        [
            {
                "name": "Hydrogen chloride",
                "quantity": 4,
                "error": null,
                "ratio": null,
                "units": "mol/L",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\nM  HYD  1   1   1\nM  END"
            },
            {
                "name": "1,4-dioxane",
                "quantity": 99,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    1.5000    0.0000    0.0000 O   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   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5000    0.0000    0.0000 O   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    0.7500    1.2990    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  1  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\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Palladium hydroxide, Pd 20% on carbon, nominally 50% water, Pearlman's Catalyst",
        "contents": 
        [
            {
                "name": null,
                "quantity": 20,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  3  2  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    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\nM  END"
            },
            {
                "name": "water"
            }
        ],
        "molfile": "\nGenerated by WebMolKit\n\n  0  0  0  0  0  0  0  0  0  0999 V2000\nM  END"
    },
    {
        "mixfileVersion": 1,
        "originalName": "Sodium borohydride, stable aq. soln., 4.4M in 14M NaOH",
        "contents": 
        [
            {
                "name": "Sodium borohydride",
                "molfile": "\nGenerated by WebMolKit\n\n  2  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 B   0  5  0  0  0  0  0  0  0  0  0  0\n    1.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\nM  CHG  2   1  -1   2   1\nM  HYD  1   1   4\nM  END",
                "quantity": 4.4,
                "error": null,
                "ratio": null,
                "units": "mol/L",
                "relation": null
            },
            {
                "name": "water",
                "quantity": null,
                "error": null,
                "ratio": null,
                "units": null,
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            },
            {
                "name": "NaOH",
                "quantity": 14,
                "error": null,
                "ratio": null,
                "units": "mol/L",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  2  0  0  0  0  0  0  0  0  0999 V2000\n    4.3988    0.6049    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    2.3033   -0.6049    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\nM  CHG  2   1   1   2  -1\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Lithium aluminum hydride, 15% in THF/toluene (2.4:1)",
        "contents": 
        [
            {
                "name": "Lithium aluminum hydride",
                "quantity": 15,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  2  0  0  0  0  0  0  0  0  0999 V2000\n    1.0000    0.0000    0.0000 Al  0  5  0  0  0  4  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0\nM  CHG  2   1  -1   2   1\nM  HYD  1   1   4\nM  END"
            },
            {
                "contents": 
                [
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  5  5  0  0  0  0  0  0  0  0999 V2000\n   -0.0500    3.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2635    2.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8000    1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7000    1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1635    2.7183    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\nM  END",
                        "name": "THF"
                    },
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  7  7  0  0  0  0  0  0  0  0999 V2000\n    1.1000   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3990   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3990    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1000    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1990    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1990   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  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  2  0  0  0  0\n  6  1  1  0  0  0  0\n  4  7  1  0  0  0  0\nM  END",
                        "name": "toluene"
                    }
                ]
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "1-Acetylpiperidine-4-carbonyl chloride, 97%, may contain up to ca 1M free HCl",
        "contents": 
        [
            {
                "name": "1-Acetylpiperidine-4-carbonyl chloride",
                "quantity": 97,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 12 12  0  0  0  0  0  0  0  0999 V2000\n    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5000    0.0000    0.0000 N   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   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5000    0.0000    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    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7500   -1.2990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  1  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  7 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n 10 12  1  0  0  0  0\n  9  4  1  0  0  0  0\nM  END"
            },
            {
                "name": "HCl",
                "molfile": "\nGenerated by WebMolKit\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n    3.2500    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    1.7500    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\nM  END",
                "quantity": 1,
                "error": null,
                "ratio": null,
                "units": "mol/L",
                "relation": "~"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "3-Chloroperoxybenzoic acid, 50-55%, cont. ca 10% 3-chlorobenzoic acid, balance water",
        "contents": 
        [
            {
                "name": "3-Chloroperoxybenzoic acid",
                "quantity": 
                [
                    50,
                    55
                ],
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 11 11  0  0  0  0  0  0  0  0999 V2000\n    2.9159   -2.0849    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    2.0948   -0.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5972   -0.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2239    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7216    0.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5427    1.5143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3982   -1.0798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8959   -1.1632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4527    1.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9503    1.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7714    0.5092    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  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  5  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  4  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n  2 11  1  0  0  0  0\nM  END"
            },
            {
                "name": "3-chlorobenzoic acid",
                "quantity": 10,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": "~",
                "molfile": "\nGenerated by WebMolKit\n\n 10 10  0  0  0  0  0  0  0  0999 V2000\n    2.9197   -1.6440    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    1.8615   -0.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4117   -0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6466    0.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0963   -0.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4878   -1.7359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1546    0.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2551    1.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1946    1.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2529    0.8671    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  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  5  7  1  0  0  0  0\n  4  8  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  0  0  0  0\n  2 10  1  0  0  0  0\nM  END"
            },
            {
                "name": "water",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Sulfur in Diesel Fuel standard solution, Specpure®, blank (0.0000%)",
        "name": null,
        "quantity": 0,
        "error": null,
        "ratio": null,
        "units": "%",
        "relation": null,
        "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 S   0  0  0  0  0 15  0  0  0  0  0  0\nM  HYD  1   1   0\nM  END"
    },
    {
        "mixfileVersion": 1,
        "originalName": "Teicoplanin, cont. 80+% A2",
        "contents": 
        [
            {
                "name": "Teicoplanin"
            },
            {
                "name": "A2",
                "quantity": 80,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": ">="
            }
        ],
        "name": null,
        "quantity": null,
        "error": null,
        "ratio": null,
        "units": null,
        "relation": null,
        "molfile": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Tetracycline hydrochloride, 10 mg/ml in 100% methanol, sterile-filtered",
        "contents": 
        [
            {
                "name": "Tetracycline hydrochloride",
                "quantity": 10,
                "error": null,
                "ratio": null,
                "units": "g/L",
                "relation": null,
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            {
                "name": "methanol",
                "quantity": 100,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500    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\nM  END"
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        ],
        "name": null
    },
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        "mixfileVersion": 1,
        "originalName": "Sodium pyrophosphate, 200mM buffer soln.",
        "name": "Sodium pyrophosphate",
        "quantity": 200,
        "error": null,
        "ratio": null,
        "units": "mmol/L",
        "relation": null,
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    },
    {
        "mixfileVersion": 1,
        "originalName": "Tritolyl phosphate, mixture of isomers, ortho-isomers <1%",
        "name": "Tritolyl phosphate",
        "quantity": 1,
        "error": null,
        "ratio": null,
        "units": "%",
        "relation": "<",
        "molfile": "\nGenerated by WebMolKit\n\n 26 28  0  0  0  0  0  0  0  0999 V2000\n   -0.2247   -0.8570    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0\n   -1.3038    0.1849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8543   -1.8990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2962   -1.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3752   -2.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8171   -2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1799   -0.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1009    0.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6590   -0.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0124   -3.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8172    0.2220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4037    1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4457    2.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0322    4.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4233    4.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4652    3.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0517    2.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9011    2.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2667   -1.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7222   -1.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1357   -0.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5911    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6331   -0.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2196   -2.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7641   -2.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0937    0.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  5 10  1  0  0  0  0\n  1 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  2  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  2  0  0  0  0\n 13 18  1  0  0  0  0\n  1 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  2  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  2  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  2  0  0  0  0\n 21 26  1  0  0  0  0\n  9  4  1  0  0  0  0\n 17 12  1  0  0  0  0\n 25 20  1  0  0  0  0\nM  END"
    },
    {
        "mixfileVersion": 1,
        "originalName": "Isoquinoline N-oxide, min 50% w/v in water",
        "contents": 
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            {
                "name": "Isoquinoline N-oxide",
                "quantity": 50,
                "error": null,
                "ratio": null,
                "units": "w/v%",
                "relation": ">=",
                "molfile": "\nGenerated by WebMolKit\n\n 11 12  0  0  0  0  0  0  0  0999 V2000\n   -1.1442    1.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3117    0.2594    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   -2.0798   -1.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6805   -1.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4870   -0.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8864   -1.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0539   -0.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8220    1.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4227    1.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2552    0.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7110    0.7996    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n  1  2  2  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  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  0  0  0  0\n  2 11  1  0  0  0  0\n 10  1  1  0  0  0  0\n 10  5  1  0  0  0  0\nM  CHG  2   2   1  11  -1\nM  END"
            },
            {
                "name": "water",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Potassium tert-pentyloxide, 14-18% w/v in cyclohexane",
        "contents": 
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                "name": "Potassium tert-pentyloxide",
                "quantity": 
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                "error": null,
                "ratio": null,
                "units": "w/v%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 12 10  0  0  0  0  0  0  0  0999 V2000\n   -1.2990    0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0490    1.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5490   -0.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5981   -0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5981   -1.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0490    1.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5490   -0.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981   -0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5981   -1.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    2.7763    0.0000 K   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  4  5  1  0  0  0  0\n  1  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  1  0  0  0  0\n  7 10  1  0  0  0  0\n 10 11  1  0  0  0  0\nM  END"
            },
            {
                "name": "cyclohexane",
                "molfile": "\nGenerated by WebMolKit\n\n  6  6  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    0.7500   -1.2990    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   -1.5000    0.0000    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    0.7500    1.2990    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  1  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\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Dodecacarbonyltriiron, 96% (dry wt.), stab. with 5-10% methanol",
        "contents": 
        [
            {
                "name": "Dodecacarbonyltriiron",
                "quantity": 96,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null
            },
            {
                "name": "methanol",
                "quantity": 
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                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500    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\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Octacarbonyldicobalt, stab. with 1-5% hexane",
        "contents": 
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                "name": "Octacarbonyldicobalt",
                "quantity": 
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                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null
            },
            {
                "name": "hexane",
                "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -3.2624   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9270    0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6677   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6677    0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9270   -0.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2624    0.2097    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  END"
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        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Diethylzinc, nominally 15% w/w in hexanes, packaged under Argon in resealable ChemSeal™ bottles",
        "contents": 
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                "name": "Diethylzinc",
                "quantity": 15,
                "error": null,
                "ratio": null,
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                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    1.5000   -0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2500    0.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.5196    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5000   -0.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2500    0.7794    0.0000 C   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  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\nM  END"
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                "name": "hexanes",
                "contents": 
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                        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -3.4500   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1510    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8520   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4470    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7460   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0450    0.4000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  END"
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                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -6.9500    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6510    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3520    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0530    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7540    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0530    3.3000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\nM  END"
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                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -3.2500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9510    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6520    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6470    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9460    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6520    0.0000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  3  6  1  0  0  0  0\nM  END"
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                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    0.4500    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7635    2.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3000    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2000    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6635    2.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4500    4.8000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\n  1  6  1  0  0  0  0\nM  END"
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                ]
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            {
                "name": "Argon",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 Ar  0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
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        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Lead titanium oxide, polymeric precursor, oxide >30 wt%",
        "name": "Lead titanium oxide",
        "quantity": 30,
        "error": null,
        "ratio": null,
        "units": "w/w%",
        "relation": ">",
        "molfile": "\nGenerated by WebMolKit\n\n  5  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0\n    2.0000    0.0000    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    2.0000    0.0000 Pb  0  2  0  0  0  0  0  0  0  0  0  0\n    1.0000    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0\nM  CHG  5   1  -2   2   4   3   2   4  -2   5  -2\nM  END"
    },
    {
        "mixfileVersion": 1,
        "originalName": "2-Iodoacetamide, 98%, stab. with ca 5-8% water",
        "contents": 
        [
            {
                "name": "2-Iodoacetamide",
                "quantity": 98,
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n   -2.0785    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7794   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5196    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8187   -0.7500    0.0000 N   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  3  5  1  0  0  0  0\nM  END"
            },
            {
                "name": "water",
                "quantity": 
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                    8
                ],
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": "~",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Sodium orthovanadate, 100mM aq. soln.",
        "contents": 
        [
            {
                "name": "Sodium orthovanadate",
                "quantity": 100,
                "error": null,
                "ratio": null,
                "units": "mmol/L",
                "relation": null
            },
            {
                "name": "water",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Pyruvic aldehyde, 35-45% w/w aq. soln",
        "contents": 
        [
            {
                "name": "Pyruvic aldehyde",
                "quantity": 
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                    45
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                "error": null,
                "ratio": null,
                "units": "w/w%",
                "relation": null
            },
            {
                "name": "water",
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Formaldehyde, 37% w/w aq. soln., stab. with 7-8% methanol",
        "contents": 
        [
            {
                "name": "Formaldehyde",
                "quantity": 37,
                "error": null,
                "ratio": null,
                "units": "w/w%",
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500    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\nM  END"
            },
            {
                "name": "water",
                "quantity": null,
                "error": null,
                "ratio": null,
                "units": null,
                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n  1  0  0  0  0  0  0  0  0  0999 V2000\n    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\nM  END"
            },
            {
                "name": "methanol",
                "molfile": "\nGenerated by WebMolKit\n\n  2  1  0  0  0  0  0  0  0  0999 V2000\n   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7500    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\nM  END",
                "quantity": 
                [
                    7,
                    8
                ],
                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Ethoxyacetylene, ca 50% w/w in hexanes",
        "contents": 
        [
            {
                "name": "Ethoxyacetylene",
                "quantity": 50,
                "error": null,
                "ratio": null,
                "units": "w/w%",
                "relation": "~",
                "molfile": "\nGenerated by WebMolKit\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n   -1.2281    0.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6664    0.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1400   -0.5834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2982   -0.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7364    0.2687    0.0000 C   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  3  4  1  0  0  0  0\n  4  5  3  0  0  0  0\nM  END"
            },
            {
                "contents": 
                [
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -3.4500   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1510    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8520   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4470    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7460   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0450    0.4000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\nM  END"
                    },
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -6.9500    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6510    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3520    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0530    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7540    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0530    3.3000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\nM  END"
                    },
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  5  0  0  0  0  0  0  0  0999 V2000\n   -3.2500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9510    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6520    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6470    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9460    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6520    0.0000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  3  6  1  0  0  0  0\nM  END"
                    },
                    {
                        "molfile": "\nGenerated by WebMolKit\n\n  6  6  0  0  0  0  0  0  0  0999 V2000\n    0.4500    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7635    2.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3000    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2000    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6635    2.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4500    4.8000    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  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  1  1  0  0  0  0\n  1  6  1  0  0  0  0\nM  END"
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                "name": "hexanes"
            }
        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Pentaerythritol triacrylate, stab. with 300-400ppm 4-methoxyphenol",
        "contents": 
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                "name": "Pentaerythritol triacrylate",
                "quantity": null,
                "error": null,
                "ratio": null,
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                "relation": null,
                "molfile": "\nGenerated by WebMolKit\n\n 21 20  0  0  0  0  0  0  0  0999 V2000\n    2.0601    3.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5386    3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0586    4.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1016    4.2299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5401    1.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0616    1.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4584    0.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9486   -0.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2018   -1.9896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6088   -2.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8620   -3.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2689   -4.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7626   -1.5511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8653    0.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0192   -0.4296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.4261    0.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.5800   -0.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.9869   -0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6793    1.5689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9783   -1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0199   -2.5519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  1  4  2  0  0  0  0\n  1  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 10 13  2  0  0  0  0\n  7 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  2  0  0  0  0\n 16 19  2  0  0  0  0\n  7 20  1  0  0  0  0\n 20 21  1  0  0  0  0\nM  END"
            },
            {
                "name": "4-methoxyphenol",
                "molfile": "\nGenerated by WebMolKit\n\n  9  9  0  0  0  0  0  0  0  0999 V2000\n   -3.4653    0.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5353   -0.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0511   -0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4968    1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9874    1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9174    0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3631   -1.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1211   -1.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4016    0.3512    0.0000 O   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  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  6  9  1  0  0  0  0\n  8  3  1  0  0  0  0\nM  END",
                "quantity": 
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                "error": null,
                "ratio": null,
                "units": "%",
                "relation": null
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        ],
        "name": null
    },
    {
        "mixfileVersion": 1,
        "originalName": "Mercuric chloride 5% w/v solution",
        "name": "Mercuric chloride",
        "quantity": 5,
        "error": null,
        "ratio": null,
        "units": "w/v%",
        "relation": null
    }
]