0  B5R0.1  C(CO)C(=O)O NPA014979 [0,0,0,0,0,0|3,0,0]=3
1  B5R0.1  C=C(C)CCO NPA031414 [0,0,0,0,0,0|1,0,1]=2
2  B5R0.1  CC(=CCO)C NPA031413 [0,0,0,0,0,0|1,0,1]=2
3  B6R0.1  CCCC(=O)CC NPA012016 [0,1,0,0,0,0|3,0,0]=4
4  B6R0.3  CC(CO)C(=O)O NPA011485 [0,1,0,0,0,0|3,0,0]=4
5  B6R0.4  CC(=O)CCSC NPA010578 [0,1,0,0,0,0|2,1,0]=4
6  B6R0.4  CC(C)CNC=O NPA028553 [0,1,0,0,0,0|1,0,2]=4
7  B6R0.4  C[C@H](CCSC)O NPA014443 [0,1,0,0,0,0|2,1,0]=4
8  B6R1.8  C1C(C1=O)CO NPA020911 [0,0,0,1,0,0|2,0,0]=3
9  B5R0.4  CC(C)(CS)S NPA010607 [1,1,0,0,0,0|1,1,0]=4
10  B5R0.5  CC(C(=O)C)O NPA007460 [1,1,0,0,0,0|2,0,0]=4
11  B5R0.5  CC(C(C)O)O NPA007728 [1,1,0,0,0,0|2,0,0]=4
12  B7R0.3  CCC(C)CCCO NPA009905 [0,2,0,0,0,0|1,0,0]=3
13  B7R0.10  C([C@H]([C@H](CO)O)O)O NPA017638 [0,2,0,0,0,0|2,0,0]=4
14  B7R0.9  CC(=O)CC(C)(C)O NPA001228 [0,2,0,0,0,0|2,0,0]=4
15  B7R0.16  CC(C)C(C(=O)O)O NPA012171 [0,2,0,0,0,0|1,0,1]=4
16  B7R0.4  CC(C)CCNC=O NPA028555 [0,2,0,0,0,0|1,0,1]=4