0  B12R0.1  CCCCCCCC[S@@](=O)CCO OES [1,0,0,0,0,0|2,0,0]=3
1  B12R0.5  CCCCCCCCCCCCC TRD [1,0,0,0,0,0|1,0,1]=3
2  B12R0.5  CCCCCCCCCCCCO 1DO [1,0,0,0,0,0|2,0,1]=4
3  B14R0.391  CCCCCCCCCC(=O)CC(=O)O 3LA [0,1,0,0,0,0|2,0,1]=4
4  B11R0.3  CCCCCCCCCCCC D12 [2,0,0,0,0,0|0,0,1]=3
5  B11R0.40  CCCCCCCCC(=O)OC NON [2,0,0,0,0,0|1,0,0]=3
6  B11R0.148  CCCCCCCCCC(=O)C UOC [2,0,0,0,0,0|1,0,0]=3
7  B11R0.148  CCCCCCCCCC(=O)O CRC [2,0,0,0,0,0|2,0,0]=4
8  B11R0.148  CCCCCCCCCC(=O)O DKA [2,0,0,0,0,0|2,0,0]=4
9  B13R0.336  CCCCCCCCCCCCCC C14 [1,1,0,0,0,0|1,0,1]=4
10  B15R1.253  C1CCCCCNC(=O)[C@H](CCCC1)N RIN [0,1,0,1,0,0|1,0,0]=3