#rdkit symbol shift mult coup 14 C 49.332285012285 s NA 11 C 167.688943488943 s NA 10 C 112.859164619165 s NA 15 C 154.807174447174 s NA 7 C 90.9909582309582 s NA 4 C 164.547223587224 s NA 3 C 130.125110565111 s NA 2 C 150.774742014742 s NA 1 C 11.6352825552826 s NA 9 C 24.8889434889435 s NA 8 C 25.3918427518428 s NA