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egonw/Generate InChI and InChIKey.js

Created December 8, 2008 10:37
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Generate InChI and InChIKey.js
mol = cdk.fromSMILES("C");
inchi1 = inchi.generate(mol);
js.print(inchi1 + "\n");
js.print("Key: " + inchi1.getKey() + "\n");
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