0  B8R0.37  CC(C)C(C)(N)C(N)=O AC-76860 [0,0,0,0,0,0|3,0,1]=4
1  B7R0.16  C[C@H](O)[C@@H](N)C(=O)O AC-11380 [1,0,0,0,0,0|1,0,2]=4
2  B7R0.16  NC(=O)C(N)C(N)=O AC-32075 [1,0,0,0,0,0|3,0,0]=4
3  B9R1.168  CC(=O)C1(C(=O)O)CC1 AC-75834 [0,0,0,1,0,0|1,0,0]=2
4  B9R1.168  NC(=O)C1(C(=O)O)CC1 AC-19262 [0,0,0,1,0,0|2,0,0]=3
5  B9R1.168  O=C(O)C1(C(=O)O)CC1 AC-15373 [0,0,0,1,0,0|2,0,0]=3
6  B9R0.11  CC(=O)OC(C)(C)C(=O)Cl AC-15168 [0,0,0,0,0,1|2,0,0]=3
7  B9R0.11  CC(C)(CC(=O)O)C(=O)O AC-76953 [0,0,0,0,0,1|2,0,0]=3
8  B6R0.3  CCC(N)C(=O)O AC-12704 [2,0,0,0,0,0|1,0,1]=4
9  B6R0.3  CCC(N)C(=O)O AC-22541 [2,0,0,0,0,0|1,0,1]=4
10  B6R0.3  CC[C@@H](N)C(=O)O AC-12705 [2,0,0,0,0,0|1,0,1]=4
11  B6R0.3  NC[C@H](O)C(=O)O AC-15048 [2,0,0,0,0,0|1,0,1]=4
12  B6R0.7  CC(C)(Br)C(=O)Br AC-33430 [2,0,0,0,0,0|2,0,0]=4
13  B6R0.7  CC(C)(Br)C(=O)O AC-13633 [2,0,0,0,0,0|1,0,0]=3
14  B6R0.7  CC(C)(N)C(=O)O AC-22698 [2,0,0,0,0,0|1,0,0]=3
15  B6R0.2  C[C@@H](O)CC(=O)O AC-81110 [2,0,0,0,0,0|0,0,2]=4
16  B6R0.2  C[C@H](N)CC(=O)O AC-77208 [2,0,0,0,0,0|1,0,1]=4
17  B6R0.2  NC(=O)CC(N)=O AC-65081 [2,0,0,0,0,0|2,0,0]=4
18  B8R0.13  CCC(=O)C(C)(C)C=O AC-73654 [1,1,0,0,0,0|1,0,0]=3
19  B8R0.36  COC(C)(OC)C(C)=O AC-77130 [1,1,0,0,0,0|2,0,0]=4
20  B10R0.141  COC(=O)C(C)(C)CC(=O)O AC-71544 [0,1,0,0,0,1|1,0,0]=3
21  B10R0.36  CCOC(=O)C(F)(F)C(C)=O AC-18736 [0,2,0,0,0,0|2,0,0]=4
22  B8R1.63  CNC1(C(=O)O)CC1 AC-88857 [1,0,0,1,0,0|2,0,0]=4
23  B8R1.78  CC1(C(=O)O)CCC1 AC-41635 [1,0,0,1,0,0|1,0,1]=4
24  B8R1.78  NC1(C(=O)O)CCC1 AC-76923 [1,0,0,1,0,0|1,0,1]=4
25  B8R1.78  O=C(O)C1(Br)CCC1 AC-86466 [1,0,0,1,0,0|1,0,1]=4
26  B8R1.78  O=C(O)C1(O)CCC1 AC-81631 [1,0,0,1,0,0|0,0,1]=3
27  B8R1.50  CN1C(=O)CCC1=O AC-86785 [1,0,0,1,0,0|2,0,0]=4
28  B8R1.50  O=C1COC(=O)C1Br AC-87590 [1,0,0,1,0,0|1,0,0]=3
29  B8R1.77  CC1(C)CC1C(=O)O AC-93733 [1,0,0,1,0,0|1,0,1]=4
30  B8R1.77  CC1(C)C[C@@H]1C(=O)O AC-77496 [1,0,0,1,0,0|1,0,1]=4
31  B10R1.114  CC1(C)C(=O)CCCC1=O AC-89327 [0,1,0,1,0,0|2,0,0]=4
32  B10R1.364  O=C(O)C1(C(=O)O)CCC1 AC-89032 [0,1,0,1,0,0|2,0,0]=4
33  B8R0.23  CC(C)CC(O)C(=O)O AC-83999 [1,0,0,0,0,1|1,0,1]=4
34  B8R0.23  C\C(=C\C(=O)O)C(=O)O AC-86741 [1,0,0,0,0,1|1,0,1]=4
35  B8R0.23  NC(=O)C[C@@H](N)C(=O)O AC-76859 [1,0,0,0,0,1|2,0,0]=4
36  B10R0.43  CC(C)(CCC(=O)O)C(=O)O AC-23418 [0,0,0,0,0,2|2,0,0]=4
37  B10R0.165  CC(C)(CC(=O)O)CC(=O)O AC-23417 [0,0,0,0,0,2|2,0,0]=4