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reading in SMILES from .txt can truncate at "#"

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    Authored by Adelene Lai

    Demonstrates how to correctly read SMILES from .txt1715112478001380621_cid_SMILES_82.txt

    Edited
    snippetfile1.R 189 B
    df <- read.table('1715112478001380621_cid_SMILES_82.txt')
    df[df$V1==93168,]
    
    #compared with
    df2 <- read.table('1715112478001380621_cid_SMILES_82.txt',comment.char = "")
    df2[df2$V1==93168,]
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