0  B8R0.2  CC[C@H](C)[C@H](N)C(O)=O DB00167 [0,1,0,0,0,0|2,0,1]=4
1  B5R0.3  OCC(O)CO DB09462 [2,0,0,0,0,0|1,1,0]=4
2  B5R0.3  OCC(S)CS DB06782 [2,0,0,0,0,0|1,0,0]=3