0  B5R0.1  C(CO)C(=O)O NPA014979 [1,0,0,0,0,0|3,0,0]=4
1  B5R0.1  C=C(C)CCO NPA031414 [1,0,0,0,0,0|3,0,0]=4
2  B5R0.1  CC(=CCO)C NPA031413 [1,0,0,0,0,0|3,0,0]=4
3  B7R0.9  CC(=O)CC(C)(C)O NPA001228 [0,1,0,0,0,0|1,0,0]=2
4  B7R0.16  CC(C)C(=O)C(=O)O NPA002663 [0,1,0,0,0,0|2,0,0]=3
5  B7R0.16  CC(C)C(C(=O)O)O NPA012171 [0,1,0,0,0,0|2,0,0]=3
6  B7R1.2  CC1=CC=C(O1)C NPA006894 [0,0,0,1,0,0|1,0,2]=4
7  B5R0.5  CC(C(=O)C)O NPA007460 [0,0,0,0,1,0|1,0,0]=2
8  B5R0.5  CC(C(C)O)O NPA007728 [0,0,0,0,1,0|1,0,2]=4
9  B7R0.6  CC(=O)NCC(C)C NPA028554 [0,0,0,0,0,1|1,0,0]=2
10  B7R0.6  CC(C)CNS(=O)C NPA028557 [0,0,0,0,0,1|2,0,0]=3
11  B7R0.6  CC(C)COC(=O)C NPA006632 [0,0,0,0,0,1|0,0,0]=1
12  B4R0.1  C(C(=O)O)F NPA003759 [2,0,0,0,0,0|2,0,0]=4
13  B4R0.1  CC(=O)C=O NPA018043 [2,0,0,0,0,0|1,0,1]=4
14  B6R0.1  CCCC(=O)CC NPA012016 [1,1,0,0,0,0|1,0,0]=3
15  B6R0.4  C/C=C/C=C(C)C NPA005636 [1,1,0,0,0,0|1,0,1]=4
16  B6R0.4  CC(=O)CCSC NPA010578 [1,1,0,0,0,0|1,0,0]=3
17  B6R0.4  CC(C)CNC=O NPA028553 [1,1,0,0,0,0|1,0,0]=3
18  B6R0.7  CC(=O)C(C)(C)O NPA017196 [0,1,0,0,1,0|0,0,0]=2
19  B8R0.9  CCC(C)CCC(=O)C NPA008166 [0,1,0,0,0,1|1,0,0]=3
20  B8R0.23  CC(C)CC(C(=O)O)O NPA011422 [0,1,0,0,0,1|2,0,0]=4
21  B8R0.2  CC(C)C(C)C(=O)OC NPA018449 [0,2,0,0,0,0|1,0,0]=3
22  B8R0.18  [C-]#[N+][C@H](C(=O)O)C(C)C NPA036417 [0,2,0,0,0,0|2,0,0]=4
23  B8R0.37  CC(=O)[C@@](C)(O)[C@@H](C)O NPA033602 [0,2,0,0,0,0|2,0,0]=4
24  B8R0.37  CC(=O)[C@](C)(O)[C@@H](C)O NPA033603 [0,2,0,0,0,0|2,0,0]=4
25  B6R1.8  C1C(C1=O)CO NPA020911 [1,0,0,1,0,0|2,0,0]=4
26  B8R1.77  CC1([C@H](N1)C(=O)O)C NPA018555 [0,0,0,1,0,1|2,0,0]=4
27  B8R1.1  CCC1CC(=O)OC1 NPA004245 [0,1,0,1,0,0|2,0,0]=4
28  B8R1.4  CC1=CC(=O)CCO1 NPA016314 [0,1,0,1,0,0|1,0,1]=4
29  B8R1.18  CC1=CC(=C(O1)C)C NPA002957 [0,1,0,1,0,0|1,0,1]=4
30  B8R0.28  CC(=O)CCC=C(C)C NPA031444 [0,0,0,0,0,2|1,0,1]=4
31  B8R0.28  CC(=O)NCCC(C)C NPA028556 [0,0,0,0,0,2|1,0,0]=3
32  B8R0.28  CC(C)CCCC(=O)C NPA012789 [0,0,0,0,0,2|1,0,0]=3
33  B8R0.28  CC(C)CCNS(=O)C NPA028558 [0,0,0,0,0,2|2,0,0]=4