smiles
Version:
OpenSMILES compatible parser and serializer
55 lines (54 loc) • 835 B
JSON
{
"label": "HydrogenCount",
"smiles": "[CH0][CH][CH9]",
"tokens": [
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "C"
},
{
"type": "HydrogenCount",
"value": 0
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "C"
},
{
"type": "HydrogenCount",
"value": 1
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "C"
},
{
"type": "HydrogenCount",
"value": 9
},
{
"type": "BracketAtom",
"value": "end"
}
]
}