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mixture16.mixfile
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{
"mixfileVersion": 1,
"name": "dishwashing liquid",
"contents":
[
{
"units": "w/w%",
"name": "water",
"quantity": 80.7,
"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"
},
{
"units": "w/w%",
"quantity": 11.7,
"contents":
[
{
"units": "%",
"name": "sodium dodecylbenzene sulphonate",
"quantity": 60,
"molfile": "\nGenerated by WebMolKit\n\n 23 22 0 0 0 0 0 0 0 0999 V2000\n 4.6396 3.3698 0.0000 S 0 0 0 0 0 6 0 0 0 0 0 0\n 1.6397 3.3700 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 3.1397 3.3699 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 4.6396 4.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6396 1.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1396 3.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8896 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8897 4.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3897 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3897 4.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1397 3.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8896 7.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3897 7.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1396 5.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1397 8.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6397 5.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.6396 8.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8897 4.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.3896 9.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3898 4.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8897 9.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6398 3.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.6397 11.1645 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 4 2 0 0 0 0\n 1 5 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 9 11 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 22 1 0 0 0 0\n 12 13 1 0 0 0 0\n 12 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 0 0 0 0\n 16 18 1 0 0 0 0\n 17 19 1 0 0 0 0\n 18 20 1 0 0 0 0\n 19 21 1 0 0 0 0\n 20 22 1 0 0 0 0\n 21 23 1 0 0 0 0\nM CHG 2 2 1 3 -1\nM END"
},
{
"units": "%",
"name": "water",
"quantity": 40,
"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",
"contents":
[]
}
]
},
{
"units": "w/w%",
"name": "coconut diethanolamide",
"quantity": 1
},
{
"units": "w/w%",
"quantity": 6.6,
"contents":
[
{
"name": "sodium lauryl ether sulphate",
"molfile": "\nGenerated by WebMolKit\n\n 18 16 0 0 0 0 0 0 0 0999 V2000\n 0.9692 -0.1213 0.0000 S 0 0 0 0 0 6 0 0 0 0 0 0\n -1.6289 -0.1213 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 2.2684 0.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3298 -0.8713 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.2192 1.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7192 -1.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0627 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3619 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7637 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6609 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4646 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9600 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1656 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2590 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8664 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5582 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5674 -0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8572 0.6287 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 4 1 0 0 0 0\n 1 5 2 0 0 0 0\n 1 6 2 0 0 0 0\n 3 17 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 12 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 0 0 0 0\n 16 18 1 0 0 0 0\nM CHG 2 2 1 4 -1\nM END",
"units": "%",
"quantity": 27
},
{
"units": "%",
"name": "water",
"quantity": 73,
"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",
"contents":
[]
}
]
},
{
"name": "sodium chloride",
"molfile": "\nGenerated by WebMolKit\n\n 2 0 0 0 0 0 0 0 0 0999 V2000\n 1.5000 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 3.0000 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 1 2 -1\nM END"
},
{
"name": "perfume, dye"
},
{
"name": "preservative"
}
]
}