0  B5R0.1  CC(OCBr)=O B0074 [0,0,0,0,0,0|2,1,1]=4
1  B5R0.1  CNCC(O)=O S0121 [0,0,0,0,0,0|2,1,1]=4
2  B4R0.1  C#CC(O)C B0123 [1,0,0,0,0,0|0,1,2]=4
3  B4R0.2  CC\C=N\O P0059 [1,0,0,0,0,0|1,1,1]=4
4  B6R0.2  CC(O)CC([O-])=O H0080 [0,1,0,0,0,0|1,1,1]=4
5  B6R0.4  OC(CCCN)=O G0043 [0,1,0,0,0,0|1,1,1]=4
6  B6R0.5  C([N+](C)(C)C)CO C0381 [0,1,0,0,0,0|3,0,0]=4
7  B5R0.3  OCC(Cl)CO C0752 [1,1,0,0,0,0|2,0,0]=4
8  B5R0.4  CNC(C)(C)C M0515 [1,1,0,0,0,0|2,0,0]=4
9  B5R0.2  BrCCCC=C B0624 [1,1,0,0,0,0|0,0,2]=4
10  B7R0.2  COC(=O)C[C@@H](C)O H0102 [0,2,0,0,0,0|0,1,1]=4
11  B7R0.10  C(C(C(CS)O)O)S D0323 [0,2,0,0,0,0|1,1,0]=4
12  B7R1.1  C1CCN(C1)N=O N0378 [0,1,0,1,0,0|1,1,0]=4