#rdkit symbol shift mult coup 1 C 12.3600982800983 s NA 2 C 20.1210810810811 s NA 3 C 26.6980835380835 s NA 4 C 74.4539557739558 s NA 6 C 56.1078132678133 s NA 7 C 108.311154791155 s NA 15 C 158.204619164619 s NA 12 C 162.062997542998 s NA 11 C 88.3148894348894 s NA 8 C 169.046781326781 s NA 10 C 52.389484029484 s NA 16 C 64.9010319410319 s NA