0  B7R0.6  CC(=O)NCC(C)C NPA028554 [0,0,0,0,0,0|1,0,0]=1
1  B7R0.6  CC(C)CNS(=O)C NPA028557 [0,0,0,0,0,0|2,0,0]=2
2  B7R0.6  CC(C)COC(=O)C NPA006632 [0,0,0,0,0,0|0,0,0]=0
3  B6R0.4  C/C=C/C=C(C)C NPA005636 [1,0,0,0,0,0|1,0,2]=4
4  B6R0.4  CC(=O)CCSC NPA010578 [1,0,0,0,0,0|2,0,0]=3
5  B6R0.4  CC(C)CNC=O NPA028553 [1,0,0,0,0,0|1,0,0]=2
6  B6R0.4  C[C@H](CCSC)O NPA014443 [1,0,0,0,0,0|3,0,0]=4
7  B8R0.9  CCC(=O)CCC(=O)C NPA013026 [0,1,0,0,0,0|2,0,1]=4
8  B8R0.9  CCC(C)CCC(=O)C NPA008166 [0,1,0,0,0,0|1,0,0]=2
9  B8R0.23  CC(C)CC(C(=O)O)O NPA011422 [0,1,0,0,0,0|2,0,0]=3
10  B8R1.77  CC1([C@H](N1)C(=O)O)C NPA018555 [0,0,0,1,0,0|3,0,0]=4
11  B8R0.28  CC(=CCCC(C)O)C NPA031443 [0,0,0,0,0,1|3,0,0]=4
12  B8R0.28  CC(=O)CCC=C(C)C NPA031444 [0,0,0,0,0,1|1,0,1]=3
13  B8R0.28  CC(=O)NCCC(C)C NPA028556 [0,0,0,0,0,1|1,0,0]=2
14  B8R0.28  CC(C)CCCC(=O)C NPA012789 [0,0,0,0,0,1|1,0,0]=2
15  B8R0.28  CC(C)CCNS(=O)C NPA028558 [0,0,0,0,0,1|2,0,0]=3
16  B5R0.1  C(CO)C(=O)O NPA014979 [2,0,0,0,0,0|2,0,0]=4
17  B5R0.1  C=C(C)CCO NPA031414 [2,0,0,0,0,0|2,0,0]=4
18  B7R0.4  CC(C)CCNC=O NPA028555 [1,1,0,0,0,0|1,0,0]=3
19  B7R0.5  CCOC(=O)C(C)C NPA012370 [1,1,0,0,0,0|0,0,2]=4
20  B7R0.9  CC(=O)CC(C)(C)O NPA001228 [0,1,0,0,1,0|0,0,0]=2
21  B7R0.16  CC(C)C(=O)C(=O)O NPA002663 [0,1,0,0,1,0|1,0,1]=4
22  B7R0.16  CC(C)C(C(=O)O)O NPA012171 [0,1,0,0,1,0|1,0,0]=3
23  B9R0.21  CC(C)(C)/C=C/C(=O)OC NPA006715 [0,2,0,0,0,0|1,0,1]=4
24  B9R1.35  CC(C)[C@H]1C=CC(=O)N1 NPA036371 [0,0,0,1,0,1|2,0,0]=4
25  B9R1.112  C1CC1C[C@@H](C(=O)O)N NPA001566 [0,1,0,1,0,0|2,0,0]=4
26  B5R0.5  CC(C(=O)C)O NPA007460 [0,0,0,0,2,0|1,0,0]=3