0  B11R1.74  CC(C)C1CC(=O)CC(=O)O1 H-8801 [0,0,0,1,0,0|0,0,0]=1
1  B11R1.74  O=C1CC(=O)OC(C(=O)O)C1 H-8800 [0,0,0,1,0,0|2,0,1]=4
2  B11R1.108  CC(C)C1NC(=O)C1C(C)C P46838 [0,0,0,1,0,0|2,0,1]=4
3  B9R0.53  CC(C)C[C@@H](N)CC(=O)O Q68973 [0,0,0,0,1,0|2,0,1]=4
4  B9R0.53  CC(C)C[C@@H](N)CC(=O)O Q68975 [0,0,0,0,1,0|2,0,1]=4
5  B9R0.53  CC(C)C[C@H](N)CC(=O)O P39532 [0,0,0,0,1,0|2,0,1]=4
6  B9R0.53  CC(C)C[C@H](N)CC(=O)O Q68972 [0,0,0,0,1,0|2,0,1]=4
7  B11R0.85  CC(C)CNC(=O)NCC(=O)O P44731 [0,0,0,0,0,1|2,0,0]=3
8  B8R0.1  CCCNC(=O)CNC P35278 [2,0,0,0,0,0|2,0,0]=4
9  B8R0.1  CCCNC(=O)CNC P42832 [2,0,0,0,0,0|2,0,0]=4
10  B8R0.5  CCCC(=O)CC(C)=O O29704 [2,0,0,0,0,0|0,0,0]=2
11  B8R0.5  CCOC(=O)CC(C)N P42993 [2,0,0,0,0,0|1,0,1]=4
12  B8R0.5  CCOC(=O)C[C@@H](C)O P39378 [2,0,0,0,0,0|0,0,2]=4
13  B8R0.5  CCOC(=O)C[C@H](C)N Q68957 [2,0,0,0,0,0|1,0,1]=4
14  B8R0.9  CC(C)CNC(=O)CCl P38819 [2,0,0,0,0,0|2,0,0]=4
15  B10R0.31  CC(=O)NC(=O)OC(C)(C)C P42331 [0,1,0,0,1,0|1,0,0]=3
16  B10R1.8  O=C1CC(=O)CC(CO)C1 H-8038 [1,0,0,1,0,0|2,0,0]=4
17  B10R1.61  CC(=O)C1CCCCC1=O P44674 [1,0,0,1,0,0|1,0,0]=3
18  B10R1.61  O=C(O)[C@@H]1CCCNC1=O Q55037 [1,0,0,1,0,0|2,0,0]=4
19  B10R1.61  O=C(O)[C@H]1CCCNC1=O Q55038 [1,0,0,1,0,0|2,0,0]=4
20  B10R1.30  CCC1CC(C)CCC1=O Q59559 [1,0,0,1,0,0|1,0,1]=4
21  B10R1.30  CN1CCC(=O)C(C=O)C1 Q62604 [1,0,0,1,0,0|2,0,0]=4
22  B10R1.63  CC1(C)COC(=O)CC1=O H-8799 [1,0,0,1,0,0|0,0,0]=2
23  B10R1.310  CC1(C)OC(=O)C1C(=O)O Q62640 [0,0,0,1,1,0|1,0,0]=3
24  B10R1.329  CC1(C)CC(=O)CC(=O)N1 Q61058 [0,0,0,1,1,0|1,0,0]=3
25  B10R1.329  CC1(C)CC(=O)CC(=O)O1 H-8798 [0,0,0,1,1,0|0,0,0]=2
26  B10R1.329  CC1(C)CC(=O)NC(=O)C1 I-9217 [0,0,0,1,1,0|1,0,0]=3
27  B10R1.329  CC1CC(=O)CC(C)(C)C1 P44666 [0,0,0,1,1,0|1,0,1]=4
28  B12R1.233  CC(C)CC1CCC(=O)NC1=O Q59871 [0,1,0,1,0,0|2,0,0]=4
29  B12R1.358  COC(=O)C1CC(=O)CC(=O)O1 H-8802 [0,1,0,1,0,0|1,0,1]=4
30  B8R0.28  CC(=O)\C=C\CC(C)C O31440 [1,0,0,0,1,0|0,0,1]=3
31  B8R0.28  CC(C)CNCC(=O)O P38861 [1,0,0,0,1,0|2,0,0]=4
32  B8R0.23  CC(C)OC(=O)[C@@H](C)N P38334 [0,0,0,0,2,0|1,0,1]=4