pwkenny
Hi @JSPEN , the * is a wild card and you need to write [2H] for deuterium. I’ve edited the deuteriums (the Holy Ghost Fathers who taught me Latin would probably have caned me for not writing ‘deuteria’ 
) into your isomeric SMILES and put them in this file:
john.ism.csv (237 Bytes) and you can also paste from:
[2H]c1nc([2H])c2ccccc2c1NC(=O)[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)Cc2ccc(Cl)cc21 john1
[2H]c1ncc2ccccc2c1NC(=O)[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)Cc2ccc(Cl)cc21 john2
[2H]c1ncc(NC(=O)[C@@H]2CN(S(=O)(=O)CC3(C#N)CC3)Cc3ccc(Cl)cc32)c2ccccc12 john3
