smiles
Version:
OpenSMILES compatible parser and serializer
47 lines (46 loc) • 742 B
JSON
{
"label": "AliphaticOrganic",
"smiles": "BCNOSPFClBrI",
"tokens": [
{
"type": "AliphaticOrganic",
"value": "B"
},
{
"type": "AliphaticOrganic",
"value": "C"
},
{
"type": "AliphaticOrganic",
"value": "N"
},
{
"type": "AliphaticOrganic",
"value": "O"
},
{
"type": "AliphaticOrganic",
"value": "S"
},
{
"type": "AliphaticOrganic",
"value": "P"
},
{
"type": "AliphaticOrganic",
"value": "F"
},
{
"type": "AliphaticOrganic",
"value": "Cl"
},
{
"type": "AliphaticOrganic",
"value": "Br"
},
{
"type": "AliphaticOrganic",
"value": "I"
}
]
}