0  B7R0.4  NCCNCC(=O)O NPA027411 [0,0,0,0,0,0|4,0,0]=4
1  B6R0.4  CC(=O)CCSC NPA010578 [1,0,0,0,0,0|1,0,0]=2
2  B6R0.4  C[C@H](CCSC)O NPA014443 [1,0,0,0,0,0|1,0,2]=4
3  B8R0.6  CCCCC[C@@H](CC)O NPA002709 [0,1,0,0,0,0|1,0,2]=4
4  B8R0.8  C(CC(C(=O)O)N)CO NPA002021 [0,1,0,0,0,0|3,0,0]=4
5  B8R0.9  CCC(=O)CCC(=O)C NPA013026 [0,1,0,0,0,0|1,0,1]=3
6  B8R0.9  CCC(C)CCC(=O)C NPA008166 [0,1,0,0,0,0|1,0,0]=2
7  B8R0.28  CC(=CCCC(C)O)C NPA031443 [0,1,0,0,0,0|2,0,0]=3
8  B8R0.28  CC(=O)CCC=C(C)C NPA031444 [0,1,0,0,0,0|1,0,2]=4
9  B8R0.28  CC(=O)NCCC(C)C NPA028556 [0,1,0,0,0,0|1,0,0]=2
10  B8R0.28  CC(C)CCCC(=O)C NPA012789 [0,1,0,0,0,0|1,0,0]=2
11  B8R0.28  CC(C)CCNS(=O)C NPA028558 [0,1,0,0,0,0|2,0,0]=3
12  B8R1.1  CCC1CC(=O)OC1 NPA004245 [0,0,0,1,0,0|0,0,0]=1
13  B8R1.4  CC1=CC(=O)CCO1 NPA016314 [0,0,0,1,0,0|2,0,1]=4
14  B8R1.22  C1CC=CCC(=O)C1 NPA016451 [0,0,0,1,0,0|1,0,2]=4
15  B5R0.1  C(CO)C(=O)O NPA014979 [2,0,0,0,0,0|2,0,0]=4
16  B5R0.1  C=C(C)CCO NPA031414 [2,0,0,0,0,0|2,0,0]=4
17  B7R0.3  CCCCC(C)C=C NPA006261 [1,1,0,0,0,0|1,0,1]=4
18  B7R0.5  CNC[C@H](N)C(=O)O NPA027398 [1,1,0,0,0,0|2,0,0]=4
19  B7R0.6  CC(=O)NCC(C)C NPA028554 [1,1,0,0,0,0|1,0,0]=3
20  B7R0.6  CC(C)CNS(=O)C NPA028557 [1,1,0,0,0,0|2,0,0]=4
21  B7R0.6  CC(C)COC(=O)C NPA006632 [1,1,0,0,0,0|0,0,0]=2
22  B9R0.7  CC(COC(=O)C)C(=O)O NPA012519 [0,2,0,0,0,0|1,0,1]=4
23  B9R1.41  N[C@H]1CCC[C@H]1C(=O)O NPA015665 [0,1,0,1,0,0|2,0,0]=4
24  B9R1.35  C[C@@H]([C@H]1CCC(=O)O1)O NPA001683 [0,1,0,1,0,0|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