0  B5R0.5  B(C(C)C)(O)O BC000891 [0,0,0,0,0,0|3,1,0]=4
1  B4R0.1  B(CC)(O)O BC000397 [1,0,0,0,0,0|2,1,0]=4
2  B7R0.17  CC(C)(C(C)(C)O)O BC000520 [0,2,0,0,0,0|0,2,0]=4