0  B9R0.2  CCCCCCCC(=O)O T3946 [2,0,0,0,0,0|0,0,2]=4
1  B9R0.2  CCCCC\C=C\C(=O)O T5261 [2,0,0,0,0,0|0,0,0]=2
2  B11R1.16  CCOC(=O)C1=CCCNC1 TJS0123 [1,0,0,1,0,0|1,0,0]=3