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CML to SMILES (version 1.0.0)
Molecules in CML-format:
Do not include isotopic or chiral markings (-xi):
Output in canonical form (-xc):
Output explicit hydrogens as such (-xh):
Delete hydrogen atoms (-d):
Add hydrogens appropriate for pH (-p):
-1 means deactivated
Convert dative bonds (e.g. [N+]([O-])=O to N(=O)=O) (-b):