0  B5R0.2  CSCSSC NPA000854 [0,0,0,0,0,0|4,0,0]=4
1  B6R0.1  CCCC(=O)CC NPA012016 [0,1,0,0,0,0|1,0,1]=3
2  B6R0.4  CC(=O)CCSC NPA010578 [0,1,0,0,0,0|1,0,2]=4
3  B6R0.4  CC(C)CNC=O NPA028553 [0,1,0,0,0,0|1,0,2]=4
4  B6R0.4  C[C@H](CCSC)O NPA014443 [0,1,0,0,0,0|1,0,0]=2
5  B6R1.1  C1CSCCS1 NPA010361 [0,0,0,1,0,0|1,1,0]=3
6  B6R1.8  C1C(C1=O)CO NPA020911 [0,0,0,1,0,0|1,0,1]=3
7  B5R0.1  C(CO)C(=O)O NPA014979 [1,1,0,0,0,0|1,0,1]=4
8  B5R0.1  C=C(C)CCO NPA031414 [1,1,0,0,0,0|0,0,1]=3
9  B5R0.1  CC(=CCO)C NPA031413 [1,1,0,0,0,0|0,0,2]=4
10  B7R0.3  CCC(C)CCCO NPA009905 [0,2,0,0,0,0|0,0,0]=2
11  B7R0.3  CCCCC(C)C=C NPA006261 [0,2,0,0,0,0|1,0,0]=3
12  B7R0.3  CC[C@@H](C#CCO)O NPA000240 [0,2,0,0,0,0|0,0,1]=3
13  B7R0.5  CNC[C@H](N)C(=O)O NPA027398 [0,2,0,0,0,0|1,0,1]=4
14  B7R0.10  C([C@H]([C@H](CO)O)O)O NPA017638 [0,2,0,0,0,0|1,0,0]=3
15  B7R0.4  CC(C)CCNC=O NPA028555 [0,2,0,0,0,0|0,0,2]=4
16  B7R0.4  NCCNCC(=O)O NPA027411 [0,2,0,0,0,0|1,0,1]=4