0  B9R1.34  CC1CC(=O)CC(C)O1 MC425912 [0,0,0,0,0,0|3,0,1]=4
1  B9R1.34  CC1OC(C)OC(C)O1 MC41712 [0,0,0,0,0,0|0,0,0]=0
2  B8R1.4  CC1CC(O)CCO1 MC31218 [1,0,0,0,0,0|3,0,0]=4
3  B8R1.4  CC1CCNC(C)C1 CS21125 [1,0,0,0,0,0|3,0,0]=4
4  B8R1.4  CC1CNCC(C)O1 MC121304 [1,0,0,0,0,0|3,0,0]=4
5  B8R1.4  CC1CNCC(C)O1 MC428243 [1,0,0,0,0,0|3,0,0]=4
6  B8R1.4  CC1CNCC(C)O1 MC444593 [1,0,0,0,0,0|3,0,0]=4
7  B8R0.5  CCOC(=O)CC(C)O CS11353 [0,0,1,0,0,0|2,0,1]=4
8  B8R0.5  CCOC(=O)CC(C)O CS18545 [0,0,1,0,0,0|2,0,1]=4
9  B8R0.5  CCOC(=O)OC(C)Cl CS20668 [0,0,1,0,0,0|2,0,1]=4
10  B10R2.71  NC1CC2CCC(C1)O2 MC105402 [0,0,0,1,0,0|3,0,0]=4
11  B10R2.71  NC1CC2CCC(C1)O2 MC105405 [0,0,0,1,0,0|3,0,0]=4
12  B10R2.71  OC1CC2CCC(C1)O2 MC105401 [0,0,0,1,0,0|3,0,0]=4
13  B10R2.71  OC1CC2CCC(C1)O2 MC105403 [0,0,0,1,0,0|3,0,0]=4
14  B10R2.71  OC1CC2CCC(C1)O2 MC105404 [0,0,0,1,0,0|3,0,0]=4
15  B8R1.18  CC1CC(S)C(C)O1 MC115503 [0,0,0,0,1,0|2,0,0]=3
16  B7R0.4  CCCCCC(C)O CS21570 [1,0,1,0,0,0|2,0,0]=4
17  B11R2.16  NCC1CC2CCC(C1)O2 MC104236 [0,1,0,1,0,0|2,0,0]=4
18  B7R0.5  CCOC(=O)C(C)O CS20075 [0,0,1,0,1,0|1,0,1]=4
19  B7R1.2  CC1=NC(C)CO1 MC428186 [1,0,0,0,1,0|1,0,1]=4
20  B7R1.2  CC1CCC(C)N1 MC102818 [1,0,0,0,1,0|2,0,0]=4
21  B7R1.2  CC1COC(=O)O1 MC428298 [1,0,0,0,1,0|1,0,1]=4