Flow object JSON
{
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{
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}
}
],
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{
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],
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}
},
{
"@value": "Aniline, N-allyl-",
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],
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}
},
{
"@value": "Benzenamine, N-2-propen-1-yl-",
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],
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}
},
{
"@value": "Benzenamine, N-2-propenyl-",
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],
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}
},
{
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}
},
{
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},
{
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}
},
{
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}
},
{
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],
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"@value": [
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{
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{
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},
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{
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{
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},
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{
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{
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"attested_by": {
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},
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},
"https://w3id.org/chemrof/molecular_mass": {
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"@value": [
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{
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{
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},
"https://w3id.org/chemrof/monoisotopic_mass": {
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},
"references": [
{
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