0  B13R0.336  CCCCCCCCCCCCCO c08642 [0,1,0,0,0,0|0,0,2]=3
1  B12R1.8  CCCNCCC1=CCCCC1 a05554 [1,0,0,1,0,0|1,0,1]=4
2  B12R1.8  OCCCCNC1CCCCC1 a01349 [1,0,0,1,0,0|1,0,1]=4