0  B6R0.2  CC(O)CC([O-])=O H0080 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.1  CC(OCBr)=O B0074 [1,0,0,0,0,0|1,0,1]=3
2  B5R0.1  CNCC(O)=O S0121 [1,0,0,0,0,0|3,0,0]=4
3  B7R0.2  COC(=O)C[C@@H](C)O H0102 [0,1,0,0,0,0|1,0,2]=4
4  B7R0.9  CC(=O)OP([O-])([O-])=O A0781 [0,1,0,0,0,0|2,0,0]=3
5  B8R0.9  [NH3+]CC(CCC(O)=O)=O A0364 [0,1,0,0,0,1|2,0,0]=4
6  B8R0.33  CS(=O)(OS(=O)(C)=O)=O M0698 [0,2,0,0,0,0|2,0,0]=4