Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 50Q    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 SMILES CACTVS 3.370 Oc1cc(O)cc(Oc2ccc(Cl)c(Cl)c2)c1
2 SMILES OpenEye OEToolkits 1.7.6 c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl
3 Canonical SMILES CACTVS 3.370 Oc1cc(O)cc(Oc2ccc(Cl)c(Cl)c2)c1
4 Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl