0  B8R0.28  CC(=CCCC(C)O)C NPA031443 [0,0,0,0,0,0|1,0,3]=4
1  B8R0.28  CC(=O)CCC=C(C)C NPA031444 [0,0,0,0,0,0|1,0,2]=3
2  B8R0.28  CC(=O)NCCC(C)C NPA028556 [0,0,0,0,0,0|2,0,0]=2
3  B8R0.28  CC(C)CCCC(=O)C NPA012789 [0,0,0,0,0,0|1,0,0]=1
4  B8R0.28  CC(C)CCNS(=O)C NPA028558 [0,0,0,0,0,0|3,0,0]=3
5  B7R0.4  CC(C)CCNC=O NPA028555 [1,0,0,0,0,0|1,0,0]=2
6  B7R0.4  NCCNCC(=O)O NPA027411 [1,0,0,0,0,0|2,0,0]=3
7  B9R0.7  C(C[P+](=O)O)C(C(=O)O)N NPA020970 [0,1,0,0,0,0|3,0,0]=4
8  B9R0.7  C=C(CCC(C(=O)O)N)Cl NPA015178 [0,1,0,0,0,0|1,0,2]=4
9  B9R0.7  CC(=C)CC[C@@H](C(=O)O)N NPA018628 [0,1,0,0,0,0|0,0,2]=3
10  B9R0.7  CC(COC(=O)C)C(=O)O NPA012519 [0,1,0,0,0,0|2,0,1]=4
11  B9R1.35  C1[C@H](CN[C@@H]1C(=O)O)N NPA013918 [0,0,0,1,0,0|2,0,0]=3
12  B9R1.35  CC(C)[C@H]1C=CC(=O)N1 NPA036371 [0,0,0,1,0,0|1,0,2]=4
13  B9R1.35  C[C@@H]([C@H]1CCC(=O)O1)O NPA001683 [0,0,0,1,0,0|1,0,0]=2
14  B9R1.35  C[C@H](C1=CC(=O)CC1)O NPA023422 [0,0,0,1,0,0|2,0,1]=4
15  B7R0.6  C(C[N+](=O)[O-])C(=O)O NPA007876 [0,0,0,0,1,0|3,0,0]=4
16  B7R0.6  CC(=O)NCC(C)C NPA028554 [0,0,0,0,1,0|2,0,0]=3
17  B7R0.6  CC(C)CNS(=O)C NPA028557 [0,0,0,0,1,0|3,0,0]=4
18  B7R0.6  CC(C)COC(=O)C NPA006632 [0,0,0,0,1,0|2,0,0]=3
19  B6R0.4  CC(=O)CCSC NPA010578 [2,0,0,0,0,0|2,0,0]=4
20  B6R0.4  CC(C)CNC=O NPA028553 [2,0,0,0,0,0|1,0,0]=3
21  B8R0.6  CCCCC[C@@H](CC)O NPA002709 [1,1,0,0,0,0|1,0,1]=4
22  B8R0.8  C(CC(C(=O)O)N)CO NPA002021 [1,1,0,0,0,0|1,0,0]=3
23  B8R0.9  CCC(=O)CCC(=O)C NPA013026 [1,1,0,0,0,0|1,0,1]=4
24  B8R0.9  CCC(C)CCC(=O)C NPA008166 [1,1,0,0,0,0|1,0,0]=3
25  B8R0.23  C([C@@H](C(=O)O)N)C(Cl)Cl NPA020591 [0,1,0,0,1,0|2,0,0]=4
26  B8R0.23  CC(C)CC(C(=O)O)O NPA011422 [0,1,0,0,1,0|0,0,0]=2
27  B10R0.55  CC(=O)OCCCC(=O)CO NPA004151 [0,1,0,0,0,1|1,0,1]=4
28  B10R0.82  CN=[N+](CC[C@@H](C(=O)O)N)[O-] NPA004297 [0,2,0,0,0,0|2,0,0]=4
29  B10R0.92  C[As](=O)(O)CCC(N)C(=O)O NPA032834 [0,2,0,0,0,0|2,0,0]=4
30  B10R0.70  CC(C)CC(CO)NC(=O)C NPA002829 [0,2,0,0,0,0|2,0,0]=4
31  B8R1.1  CCC1CC(=O)OC1 NPA004245 [1,0,0,1,0,0|2,0,0]=4
32  B8R1.31  C1[C@@H]([C@@H](O1)C(=O)O)N NPA020900 [1,0,0,1,0,0|2,0,0]=4
33  B8R1.77  CC1([C@H](N1)C(=O)O)C NPA018555 [0,0,0,1,1,0|1,0,0]=3
34  B10R1.113  CC1=NCC[C@H](N1)C(=O)O NPA024861 [0,0,0,1,0,1|1,0,1]=4
35  B10R1.13  CC(C)[C@H]1CCC(=C)C=C1 NPA005834 [0,1,0,1,0,0|2,0,0]=4
36  B10R1.301  CC1CCCC(C1=O)(C)C NPA031442 [0,1,0,1,0,0|1,0,1]=4
37  B10R1.58  CC(C)[C@@H]1C=C(C(=O)O1)N NPA035065 [0,1,0,1,0,0|0,0,2]=4