0  B5R0.1  CC(OCBr)=O B0074 [0,0,0,0,0,0|3,0,0]=3
1  B5R0.1  CNCC(O)=O S0121 [0,0,0,0,0,0|2,0,0]=2
2  B4R0.2  CC\C=N\O P0059 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.2  CC(O)CC([O-])=O H0080 [0,1,0,0,0,0|1,0,1]=3
4  B6R0.3  OC[C@H](C)C([O-])=O H0292 [0,1,0,0,0,0|1,0,1]=3
5  B6R0.4  OC(CCCN)=O G0043 [0,1,0,0,0,0|0,0,0]=1
6  B6R0.5  O=S(O)(CCN)=O T0187 [0,1,0,0,0,0|1,0,0]=2
7  B3R0.2  NC(N)=N G0058 [2,0,0,0,0,0|2,0,0]=4
8  B3R0.2  NC([NH3+])=N G0040 [2,0,0,0,0,0|2,0,0]=4
9  B5R0.2  BrCCCC=C B0624 [1,1,0,0,0,0|2,0,0]=4
10  B7R0.2  COC(=O)C[C@@H](C)O H0102 [0,2,0,0,0,0|1,0,0]=3
11  B7R0.5  [NH3+]CCC([NH3+])C(O)=O D0154 [0,2,0,0,0,0|0,0,1]=3
12  B7R0.10  OCC(C)C(O[Na])=O H0085 [0,2,0,0,0,0|1,0,0]=3
13  B7R0.8  OP(OCCN)(O)=O C0021 [0,2,0,0,0,0|1,0,0]=3
14  B7R1.4  O=C1NOC[C@H]1N D0356 [0,1,0,1,0,0|2,0,0]=4
15  B7R1.4  O=C1[C@@H]([NH3+])CCO1 H0310 [0,1,0,1,0,0|1,0,0]=3
16  B7R1.18  OC([C@@H]1CCN1)=O A0051 [0,1,0,1,0,0|0,0,0]=2