DeepSEQreen_fast_build / data /examples /compound_library.sdf
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RDKit 2D
22 23 0 0 0 0 0 0 0 0999 V2000
7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
> <ID> (1)
CHEMBL41355
$$$$
RDKit 2D
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M END
> <ID> (2)
CHEMBL497318
$$$$
RDKit 2D
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M END
> <ID> (3)
CHEMBL444449
$$$$
RDKit 2D
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M END
> <ID> (4)
CHEMBL305187
$$$$
RDKit 2D
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M END
> <ID> (5)
CHEMBL1098
$$$$