Open yyh030806 opened 2 months ago
According to the method provided, I got the result like this:
{ 'id': ['10 R1', '=', 'OH,', '=H', '12 R, = H,', '=', 'OH', 'Rz', 'R2'], 'smiles': '[2*][C@@H]1[C@@H]2C[C@@H](Nc3c(C(N)=O)c(-c4ccc5scnc5c4)nn3C2)[C@@H]1C' }
So how can I deal with the functional groups and get each complete SMILES and their identifier? Thanks.
According to the method provided, I got the result like this:
So how can I deal with the functional groups and get each complete SMILES and their identifier? Thanks.