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smiles

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OpenSMILES compatible parser and serializer

39 lines (38 loc) 581 B
{ "label": "Chiral", "smiles": "[C@][C@@]", "tokens": [ { "type": "BracketAtom", "value": "begin" }, { "type": "ElementSymbol", "value": "C" }, { "type": "Chiral", "value": "anticlockwise" }, { "type": "BracketAtom", "value": "end" }, { "type": "BracketAtom", "value": "begin" }, { "type": "ElementSymbol", "value": "C" }, { "type": "Chiral", "value": "clockwise" }, { "type": "BracketAtom", "value": "end" } ] }