#rdkit symbol shift mult coup 7 C 151.180343980344 s NA 5 C 141.963832923833 s NA 9 C 158.229877149877 s NA 13 C 147.300147420147 s NA 4 C 137.080294840295 s NA 1 C 41.3622604422605 s NA 16 C 26.192628992629 s NA 12 C 27.1539066339066 s NA