0  B5R0.1  C(CO)C(=O)O NPA014979 [0,1,0,0,0,0|1,1,1]=4
1  B5R0.1  C=C(C)CCO NPA031414 [0,1,0,0,0,0|0,1,1]=3
2  B5R0.1  CC(=CCO)C NPA031413 [0,1,0,0,0,0|0,1,2]=4
3  B5R0.2  CSCSSC NPA000854 [0,1,0,0,0,0|2,0,0]=3
4  B2R0.1  C(Cl)I NPA015698 [2,0,0,0,0,0|2,0,0]=4
5  B6R0.1  CCCC(=O)CC NPA012016 [0,2,0,0,0,0|1,0,0]=3
6  B6R0.4  CC(=O)CCSC NPA010578 [0,2,0,0,0,0|0,0,1]=3
7  B6R0.4  CC(C)CNC=O NPA028553 [0,2,0,0,0,0|0,1,1]=4
8  B6R0.4  C[C@H](CCSC)O NPA014443 [0,2,0,0,0,0|0,0,0]=2
9  B6R1.8  C1C(C1=O)CO NPA020911 [0,1,0,1,0,0|0,1,1]=4
10  B6R1.1  C1CSCCS1 NPA010361 [0,1,0,1,0,0|0,0,0]=2