awacke1 commited on
Commit
03e689c
·
1 Parent(s): 904d04b

Update app.py

Browse files
Files changed (1) hide show
  1. app.py +4 -4
app.py CHANGED
@@ -144,10 +144,10 @@ MakeMolecule("Dinitrogen", "N#N")
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  MakeMolecule("Methyl isocyanate (MIC)", "CN=C=O")
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  MakeMolecule("Copper(II) sulfate", "[Cu+2].[O-]S(=O)(=O)[O-]")
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  MakeMolecule("Flavopereirin (C17H15N2)", "CCc(c1)ccc2[n+]1ccc3c2[nH]c4c3cccc4 CCc1c[n+]2ccc3c4ccccc4[nH]c3c2cc1")
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- MakeMolecule("Ethanol", "CCO")
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- MakeMolecule("Ethanol", "CCO")
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- MakeMolecule("Ethanol", "CCO")
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- MakeMolecule("Ethanol", "CCO")
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  MakeMolecule("Ethanol", "CCO")
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  MakeMolecule("Ethanol", "CCO")
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  MakeMolecule("Ethanol", "CCO")
 
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  MakeMolecule("Methyl isocyanate (MIC)", "CN=C=O")
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  MakeMolecule("Copper(II) sulfate", "[Cu+2].[O-]S(=O)(=O)[O-]")
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  MakeMolecule("Flavopereirin (C17H15N2)", "CCc(c1)ccc2[n+]1ccc3c2[nH]c4c3cccc4 CCc1c[n+]2ccc3c4ccccc4[nH]c3c2cc1")
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+ MakeMolecule("Glucose (β-D-glucopyranose) (C6H12O6)", "OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1")
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+ MakeMolecule("Thiamine (vitamin B1, C12H17N4OS+)", "OCCc1c(C)[n+](cs1)Cc2cnc(C)nc2N")
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+ MakeMolecule("cephalostatin-1", "CC(C)(O1)C[C@@H](O)[C@@]1(O2)[C@@H](C)[C@@H]3CC=C4[C@]3(C2)C(=O)C[C@H]5[C@H]4CC[C@@H](C6)[C@]5(C)Cc(n7)c6nc(C[C@@]89(C))c7C[C@@H]8CC[C@@H]%10[C@@H]9C[C@@H](O)[C@@]%11(C)C%10=C[C@H](O%12)[C@]%11(O)[C@H](C)[C@]%12(O%13)[C@H](O)C[C@@]%13(C)CO")
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+ MakeMolecule("Vitamin E", "C29H50O2")
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  MakeMolecule("Ethanol", "CCO")
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  MakeMolecule("Ethanol", "CCO")
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  MakeMolecule("Ethanol", "CCO")