0  B5R0.5  CC(O)C(O)=O DB04398 [0,0,0,0,0,0|2,1,1]=4
1  B5R0.5  CC(O)C([O-])=O DB06768 [0,0,0,0,0,0|2,1,1]=4
2  B5R0.5  C[C@H](N)C(O)=O DB00160 [0,0,0,0,0,0|2,1,1]=4
3  B4R0.1  CC(O)CO DB01839 [1,0,0,0,0,0|1,1,0]=3
4  B3R0.1  NCCS DB00847 [2,0,0,0,0,0|1,0,0]=3
5  B3R0.2  CC(C)O DB02325 [2,0,0,0,0,0|0,1,0]=3
6  B3R0.2  CS(C)=O DB01093 [2,0,0,0,0,0|1,1,0]=4
7  B5R0.3  OCC(O)CO DB09462 [1,1,0,0,0,0|1,1,0]=4
8  B5R0.3  OCC(S)CS DB06782 [1,1,0,0,0,0|1,0,0]=3
9  B5R1.3  ClCC1CO1 DB00658 [1,0,0,1,0,0|1,1,0]=4