0  B5R0.1  C#CCC(=O)O B050921 [0,1,0,0,0,0|1,0,2]=4
1  B5R0.1  CC(N)CCO B039558 [0,1,0,0,0,0|1,0,2]=4
2  B5R0.2  CCSCCO B049702 [0,1,0,0,0,0|0,1,2]=4
3  B5R0.3  CCC(=O)NN B015434 [0,1,0,0,0,0|3,0,0]=4
4  B5R0.3  CC\C(N)=N\O B030359 [0,1,0,0,0,0|2,0,1]=4
5  B5R1.3  NCC1CC1 B041362 [0,0,0,1,0,0|2,0,1]=4
6  B4R0.1  CSC(=N)N B022644 [1,1,0,0,0,0|1,1,0]=4
7  B6R0.1  C#CC(=O)OCC B051748 [0,2,0,0,0,0|0,0,0]=2
8  B6R0.1  COCC(=O)NN B015437 [0,2,0,0,0,0|2,0,0]=4