0  B7R0.9  CC(C)(C)CC(=O)Cl AC-14006 [1,0,0,0,0,0|1,0,0]=2
1  B7R0.9  CC(C)(C)CC(=O)O AC-14005 [1,0,0,0,0,0|1,0,0]=2
2  B7R0.9  CC(C)(N)CC(=O)O AC-76582 [1,0,0,0,0,0|2,0,0]=3
3  B9R0.11  CC(=O)OC(C)(C)C(=O)Cl AC-15168 [0,1,0,0,0,0|3,0,0]=4
4  B9R0.11  CC(C)(CC(=O)O)C(=O)O AC-76953 [0,1,0,0,0,0|3,0,0]=4
5  B9R1.38  CC1(C)OC(=O)CC1=O AC-15372 [0,0,0,1,0,0|3,0,0]=4
6  B9R1.66  CC1(C)CC(=O)CCN1 AC-71729 [0,0,0,1,0,0|1,0,0]=2
7  B9R1.66  CC1(C)CC(=O)CCO1 AC-40742 [0,0,0,1,0,0|0,1,0]=2
8  B9R1.66  CC1(C)CC(O)CCO1 AC-72325 [0,0,0,1,0,0|0,1,2]=4
9  B9R1.66  CC1(C)CCCC(=O)C1 AC-68550 [0,0,0,1,0,0|1,0,0]=2
10  B9R1.66  CC1(O)CCOC(=O)C1 AC-32060 [0,0,0,1,0,0|3,0,0]=4
11  B7R0.13  CC(C)(CCl)C(=O)Cl AC-17331 [0,0,0,0,1,0|3,0,0]=4
12  B6R0.2  C[C@@H](O)CC(=O)O AC-81110 [2,0,0,0,0,0|1,1,0]=4
13  B6R0.2  C[C@@H](O)CC(=O)[O-] AC-77270 [2,0,0,0,0,0|1,1,0]=4
14  B6R0.2  C[C@H](N)CC(=O)O AC-77208 [2,0,0,0,0,0|2,0,0]=4
15  B6R0.4  CC(=O)CCCBr AC-77239 [2,0,0,0,0,0|2,0,0]=4
16  B6R0.4  CC(=O)CCCCl AC-35279 [2,0,0,0,0,0|2,0,0]=4
17  B6R0.4  CNCCC(C)=O AC-83135 [2,0,0,0,0,0|1,0,0]=3
18  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O AC-74012 [1,1,0,0,0,0|2,0,0]=4
19  B8R0.2  CO[C@H](C)[C@H](N)C(=O)O AC-31946 [1,1,0,0,0,0|1,1,0]=4
20  B8R0.36  COC(C)(OC)C(C)=O AC-77130 [0,1,0,0,1,0|0,1,0]=3
21  B10R0.141  COC(=O)C(C)(C)CC(=O)O AC-71544 [0,2,0,0,0,0|1,1,0]=4
22  B8R1.1  CCN1CCC(=O)C1 AC-96216 [1,0,0,1,0,0|2,0,0]=4
23  B8R1.4  CC1CC(=O)CCO1 AC-40753 [1,0,0,1,0,0|0,1,0]=3
24  B8R1.4  CC1CCOC(=O)C1 AC-96315 [1,0,0,1,0,0|2,0,0]=4
25  B8R1.4  CN1CCCC(=O)C1 AC-84159 [1,0,0,1,0,0|2,0,0]=4
26  B8R1.34  O=C(O)CC1CCC1 AC-45159 [1,0,0,1,0,0|2,0,0]=4
27  B8R1.77  CC1(C)CC1C(=O)O AC-93733 [1,0,0,1,0,0|1,0,0]=3
28  B8R1.77  CC1(C)C[C@@H]1C(=O)O AC-77496 [1,0,0,1,0,0|1,0,0]=3
29  B8R1.72  CC1(C)CNCCN1 AC-40150 [1,0,0,1,0,0|2,0,0]=4
30  B8R1.63  CNC1(C(=O)O)CC1 AC-88857 [0,0,0,1,1,0|2,0,0]=4
31  B8R1.78  CC1(C(=O)O)CCC1 AC-41635 [0,0,0,1,1,0|2,0,0]=4
32  B10R1.359  CC1(C)NC(C(=O)O)CS1 AC-87477 [0,0,0,1,0,1|1,0,0]=3
33  B10R1.120  CC1(C)CC(=O)CCC1O AC-82819 [0,1,0,1,0,0|1,0,0]=3
34  B10R1.128  CC1(C)CNCC1C(=O)O AC-79869 [0,1,0,1,0,0|2,0,0]=4
35  B10R1.329  CC1(C)CC(=O)CC(=O)C1 AC-16744 [0,1,0,1,0,0|1,0,1]=4
36  B10R1.329  CC1(C)CC(=O)CC(=O)N1 AC-84225 [0,1,0,1,0,0|1,0,1]=4
37  B6R0.7  CC(C)(Br)C(=O)Br AC-33430 [1,0,0,0,1,0|2,0,0]=4
38  B6R0.7  CC(C)(Br)C(=O)O AC-13633 [1,0,0,0,1,0|2,0,0]=4
39  B6R0.7  CC(C)(N)C(=O)O AC-22698 [1,0,0,0,1,0|2,0,0]=4
40  B8R0.29  CC(C)(C)NCC(=O)O AC-63194 [1,0,0,0,0,1|1,0,0]=3
41  B8R0.29  CC(C)(N)CNC(N)=O AC-83164 [1,0,0,0,0,1|2,0,0]=4