0  B9R0.53  CC(C)CC(O)CC(C)C T20384 [0,0,0,0,0,0|0,0,2]=2
1  B8R0.5  CCOC(=O)CC(C)=O T15254 [1,0,0,0,0,0|2,0,1]=4
2  B8R0.5  CCOC(=O)CC(C)O T19314 [1,0,0,0,0,0|2,0,0]=3
3  B8R0.28  CC(C)CCCC(C)N T22389 [1,0,0,0,0,0|1,0,1]=3
4  B10R0.70  CC(O)CN(CC(C)O)N=O T19445 [0,1,0,0,0,0|3,0,0]=4
5  B10R0.165  CC(C)CP(S)(=S)CC(C)C T30465 [0,1,0,0,0,0|1,1,0]=3
6  B10R1.329  CC1=CC(=O)CC(C)(C)C1 T5671 [0,0,0,1,0,0|0,0,2]=3
7  B8R0.23  CC(C)CC(=O)C(O)=O T5071 [0,0,0,0,1,0|2,0,1]=4
8  B10R0.96  CC(C)CC(=O)NCC(O)=O T5245 [0,0,0,0,0,1|2,0,1]=4
9  B9R0.23  CC(C)OC(=O)[C@@H](N)CS T31157 [1,1,0,0,0,0|2,0,0]=4
10  B9R0.56  CC(N)CCCC(C)(C)O T0045 [1,1,0,0,0,0|1,0,1]=4
11  B9R1.66  CC1(O)CCOC(=O)C1 T1353 [1,0,0,1,0,0|2,0,0]=4
12  B11R1.166  CC(C)C1CCC(C)=CC1=O T8256 [0,1,0,1,0,0|0,0,2]=4
13  B11R1.166  CC(C)C1CCC(C)CC1=O T5660 [0,1,0,1,0,0|0,0,0]=2
14  B11R1.166  CC(C)C1CCC(C)CC1O T5723 [0,1,0,1,0,0|0,0,2]=4
15  B11R1.166  CC(C)[C@@H]1CC[C@@H](C)CC1=O TN1157 [0,1,0,1,0,0|0,0,0]=2
16  B11R1.166  CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O T8109 [0,1,0,1,0,0|0,0,2]=4
17  B11R1.166  CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O T1407 [0,1,0,1,0,0|0,0,2]=4
18  B11R1.166  CC(C)[C@H]1CC[C@@H](C)CC1=O T13738 [0,1,0,1,0,0|0,0,0]=2
19  B11R1.166  CC(C)[C@H]1CC[C@H](C)CC1=O TMA0087 [0,1,0,1,0,0|0,0,0]=2
20  B11R1.166  CC(C)[C@H]1CC[C@H](C)C[C@@H]1O TN1544 [0,1,0,1,0,0|0,0,2]=4
21  B11R1.166  CC1CCC(C(C1)O)C(C)C TN1591 [0,1,0,1,0,0|0,0,2]=4
22  B11R1.166  C[C@@H]1CCC(=C(C)C)C(=O)C1 TCS0102 [0,1,0,1,0,0|0,0,2]=4
23  B11R1.166  O[C@H]1[C@H](C(C)C)CC[C@@H](C)C1 T2979 [0,1,0,1,0,0|0,0,2]=4
24  B11R1.1362  CC1(C)CC(=O)CC(C)(C)N1 T5543 [0,1,0,1,0,0|0,0,0]=2
25  B11R1.1362  CC1(C)CC(=O)CC(C)(C)N1 TN6521 [0,1,0,1,0,0|0,0,0]=2
26  B11R0.6  C[C@@H](O)CCOC(=O)C[C@@H](C)O T10492 [0,0,0,0,0,2|2,0,0]=4