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#!/usr/bin/env ruby
require_relative "../lib/lazar"
File.read(ARGV[0]).each_line do |line|
unless line.match(/SMILES/i)
id,smi = line.chomp.split(",")
puts smi
c = Compound.from_smiles(smi)
puts ([c.smiles] + c.fingerprint).join(",")
end
end
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