add some additional tests; return namedtuples
add some additional tests; return namedtuples

jandom/rdkit,bp-kelley/rdkit,jandom/rdkit,bp-kelley/rdkit,greglandrum/rdkit,bp-kelley/rdkit,rdkit/rdkit,rdkit/rdkit,rvianello/rdkit,rdkit/rdkit,strets123/rdkit,greglandrum/rdkit,strets123/rdkit,strets123/rdkit,rdkit/rdkit,strets123/rdkit,jandom/rdkit,adalke/rdkit,ptosco/rdkit,strets123/rdkit,ptosco/rdkit,jandom/rdkit,rvianello/rdkit,ptosco/rdkit,bp-kelley/rdkit,jandom/rdkit,greglandrum/rdkit,soerendip42/rdkit,greglandrum/rdkit,ptosco/rdkit,bp-kelley/rdkit,ptosco/rdkit,adalke/rdkit,soerendip42/rdkit,ptosco/rdkit,soerendip42/rdkit,adalke/rdkit,greglandrum/rdkit,adalke/rdkit,soerendip42/rdkit,adalke/rdkit,strets123/rdkit,rvianello/rdkit,soerendip42/rdkit,adalke/rdkit,bp-kelley/rdkit,bp-kelley/rdkit,adalke/rdkit,rvianello/rdkit,jandom/rdkit,bp-kelley/rdkit,strets123/rdkit,rdkit/rdkit,greglandrum/rdkit,rdkit/rdkit,rvianello/rdkit,soerendip42/rdkit,jandom/rdkit,greglandrum/rdkit,greglandrum/rdkit,rvianello/rdkit,rvianello/rdkit,rvianello/rdkit,soerendip42/rdkit,rdkit/rdkit,adalke/rdkit,rdkit/rdkit,strets123/rdkit,ptosco/rdkit,jandom/rdkit,ptosco/rdkit,soerendip42/rdkit