0  B4R0.1  C#CC(O)C B0123 [1,0,0,0,0,0|1,0,1]=3
1  B6R0.3  OC[C@H](C)C([O-])=O H0292 [0,1,0,0,0,0|0,0,1]=2
2  B6R0.2  CC(O)CC([O-])=O H0080 [0,0,0,0,0,1|0,0,1]=2
3  B5R0.1  CC(OCBr)=O B0074 [1,1,0,0,0,0|2,0,0]=4
4  B5R0.1  CNCC(O)=O S0121 [1,1,0,0,0,0|0,0,0]=2
5  B5R0.3  OCC(Cl)CO C0752 [1,1,0,0,0,0|1,0,1]=4
6  B7R0.2  COC(=O)C[C@@H](C)O H0102 [0,1,0,0,0,1|0,0,0]=2
7  B7R0.5  [NH3+]CCC([NH3+])C(O)=O D0154 [0,2,0,0,0,0|1,0,0]=3
8  B7R0.10  C(C(C(CS)O)O)S D0323 [0,2,0,0,0,0|0,1,1]=4
9  B7R0.10  OCC(C)C(O[Na])=O H0085 [0,2,0,0,0,0|0,0,0]=2
10  B7R1.4  O=C1NOC[C@H]1N D0356 [0,1,0,1,0,0|1,0,0]=3
11  B7R1.4  O=C1[C@@H]([NH3+])CCO1 H0310 [0,1,0,1,0,0|1,0,0]=3
12  B7R1.18  OC([C@@H]1CCN1)=O A0051 [0,1,0,1,0,0|1,0,0]=3