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Original file line number | Diff line number | Diff line change |
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$RXN | ||
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EC-BLAST smiles | ||
EC-BLAST temp | ||
|
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1 1 | ||
$MOL | ||
25hvitd2 | ||
RDT 02082416552D | ||
Hydrogen Ion | ||
RDT 08242412572D | ||
|
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M CHG 1 1 1 | ||
M END | ||
$MOL | ||
2425dhvitd2 | ||
RDT 02082416552D | ||
Oxygen | ||
RDT 08242412572D | ||
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M END |
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