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Introduction to SDF/Mol File Format
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in understanding what is SDF/Mol (V2000 and V3000) file format.
SDF/Mol V2000 File Format Specification
2020-04-16, 2263🔥, 0💬
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Molecule Summary: ID: FYI-1001890 SMILES: CCCCCCCCCC(=O)NC(C(=O)NC (CO)C(=O)NC(C(=O)NC(C(C) O)C(=O)NC(...
Molecule Summary: ID: FYI-1001699 SMILES: c1cc2c(c(c1)S(=O)(=O)Nc3 ccsc3C(=O)N[C@@H](CCCNC( =N)N)C(=O)...
Molecule Summary: ID: FYI-1003009 Names: InChIKey: DKGZKTPJOSAWFA-UHFFFAOYS A-NSMILES: O=C(CCCN1CCC2...
Molecule Summary: ID: FYI-1001251 SMILES: O=C(/C=C\\c1cccc(O)c1)N1 N=C(c2ccncc2)OC1c1c[nH]c 2ccccc12R...
Molecule Summary: ID: FYI-1002961 Names: InChIKey: CKICSSGVOUYIAL-UHFFFAOYS A-NSMILES: CCCCCCCCCCCCC...