RFAA / metal_sdf /CU1_ideal.sdf
Simon Duerr
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CU1
-OEChem-03222417093D
1 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 Cu 0 3 0 0 0 0 0 0 0 0 0 0
M CHG 1 1 1
M END
> <OPENEYE_ISO_SMILES>
[Cu+]
> <OPENEYE_INCHI>
InChI=1S/Cu/q+1
> <OPENEYE_INCHIKEY>
VMQMZMRVKUZKQL-UHFFFAOYSA-N
> <FORMULA>
Cu+
$$$$