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Molecule Summary: ID: FYI-1003980 Names: InChIKey: NXWZSKVVEHBDKN-UHFFFAOYS A-NSMILES: OCCSc3nnc(c2c...
Molecule Summary: ID: FYI-1002503 Names: InChIKey: XGJHFMDABHRCEO-UHFFFAOYS A-NSMILES: CCc3nc(c1ccc(...
Molecule Summary: ID: FYI-1003211 Names: InChIKey: WYQVAPGDARQUBT-UHFFFAOYS A-NSMILES: CC8CCC7(C(=O)...
How to use "babel -o fpt ..." command to do similarity search? You can use the "fpt" output file for...
Molecule Summary: ID: FYI-1002751 Names: InChIKey: CFCKNUOZCOKYOO-OUKQBFOZS A-NSMILES: CC4=CCCC5C(C)...