#rdkit symbol shift mult coup 2 C 173.843538083538 s NA 4 C 45.2678132678133 s NA 5 C 120.279508599509 s NA 6 C 137.416216216216 s NA 7 C 44.260343980344 s NA 25 C 36.2299754299754 s NA 26 C 36.8827518427518 s NA 21 C 31.9185257985258 s NA 10 C 45.5071253071253 s NA 11 C 40.5889926289926 s NA 12 C 135.403046683047 s NA 17 C 107.115970515971 s NA 16 C 150.115085995086 s NA 15 C 147.594004914005 s NA 14 C 105.888746928747 s NA 13 C 120.395872235872 s NA 19 C 99.8858968058968 s NA 9 C 41.28 s NA 8 C 41.3245208845209 s NA 22 C 137.417199017199 s NA 23 C 131.520393120393 s NA 24 C 29.9172481572481 s NA