0  B4R0.1  C#CC(O)C B0123 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.3  OCC(Cl)CO C0752 [0,1,0,0,0,0|1,0,2]=4
2  B5R0.4  CNC(C)(C)C M0515 [0,1,0,0,0,0|2,0,0]=3
3  B4R0.2  CC\C=N\O P0059 [1,1,0,0,0,0|0,0,1]=3
4  B6R0.2  CC(O)CC([O-])=O H0080 [0,2,0,0,0,0|1,0,0]=3
5  B6R0.3  OC[C@H](C)C([O-])=O H0292 [0,2,0,0,0,0|0,0,0]=2