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jthorton/dataset.json

Created April 21, 2020 10:16
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The first 100 results of the MM benchmark
Raw
dataset.json
This file has been truncated, but you can view the full file.
{
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"canonical_isomeric_explicit_hydrogen_smiles": "[H]c1c(c(c(c(c1[C@@]2(c3c(c(c(c(c3C(C([N+](C2([H])[H])([H])[H])([H])[H])([H])[H])Cl)O[H])O[H])[H])[H])[H])[H])O[H])[H]",
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