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mixture04.mixfile
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mixture04.mixfile
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{
"mixfileVersion": 0.01,
"name": "25:24:1 (v/v) Phenol:Chloroform:Isoamyl Alcohol",
"contents":
[
{
"name": "phenol",
"molfile":
"\n\n\n 7 7 0 0 0 0 0 0 0 0999 V2000\n 6.1000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8010 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3990 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1000 1.7500 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 2 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 3 1 0 0 0 0\n 1 7 1 0 0 0 0\nM END",
"ratio": [25, 50]
},
{
"name": "chloroform",
"molfile":
"\n\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 1.5000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5000 -0.0000 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 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\n 1 5 1 0 0 0 0\nM END",
"ratio": [24, 50]
},
{
"name": "isoamyl alcohol",
"molfile":
"\n\n\n 6 5 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 2.5981 -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 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8971 -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 2 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM END",
"ratio": [1, 50]
}
]
}