#rdkit symbol shift mult coup 19 C 48.5417199017199 s NA 16 C 175.117051597052 s NA 15 C 40.8572972972973 s NA 13 C 68.2950368550369 s NA 10 C 40.0550368550369 s NA 11 C 21.7777886977887 s NA 12 C 10.7876167076167 s NA 9 C 35.2263390663391 s NA 7 C 85.9865356265356 s NA 5 C 85.6933660933661 s NA 3 C 219.941031941032 s NA 2 C 38.7091891891892 s NA 1 C 5.3955773955774 s NA 21 C 40.8679115479115 s NA 20 C 48.8167076167076 s NA 22 C 28.3854545454546 s NA 23 C 12.0906142506142 s NA 8 C 22.772285012285 s NA