RFAA / metal_sdf /CL_ideal.sdf
Simon Duerr
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CL
-OEChem-03292418433D
1 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0
M CHG 1 1 -1
M END
> <OPENEYE_ISO_SMILES>
[Cl-]
> <OPENEYE_INCHI>
InChI=1S/ClH/h1H/p-1
> <OPENEYE_INCHIKEY>
VEXZGXHMUGYJMC-UHFFFAOYSA-M
> <FORMULA>
Cl-
$$$$