0  B7R0.6  CC(=O)CC[N+](=O)[O-] F2147-8657 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.6  O=C(O)CCC(F)F F8880-4978 [0,0,0,0,0,0|2,0,1]=3
2  B7R0.6  O=C(O)COC(F)F F8888-1299 [0,0,0,0,0,0|3,0,1]=4
3  B6R0.4  C#CCCC(=O)Cl F1913-1831 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.4  CSSCC(=O)O F8881-3230 [1,0,0,0,0,0|3,0,0]=4
5  B8R0.9  C#CC(N)CCC(=O)O F1913-0216 [0,1,0,0,0,0|2,0,1]=4
6  B8R0.23  C=C(C)CC(F)C(=O)O F2147-5976 [0,1,0,0,0,0|2,0,0]=3
7  B8R0.23  CC(CC(=O)O)C(F)F F1913-1884 [0,1,0,0,0,0|2,0,1]=4
8  B8R0.23  CC(CC(F)F)C(=O)O F1913-0355 [0,1,0,0,0,0|2,0,1]=4
9  B8R0.23  NC(CC(F)F)C(=O)O F8887-3929 [0,1,0,0,0,0|2,0,1]=4
10  B8R0.23  O=C(O)C(F)CC(F)F F2147-6009 [0,1,0,0,0,0|2,0,1]=4
11  B8R0.23  O=C(O)CC(F)C(=O)O F2147-5754 [0,1,0,0,0,0|0,0,0]=1
12  B8R0.29  CS(C)(=O)=NCC(=O)O F1913-5836 [0,1,0,0,0,0|3,0,0]=4
13  B8R1.3  C=C1CCC(=O)CC1 F2147-3380 [0,0,0,1,0,0|3,0,0]=4
14  B8R1.3  O=C1CC[C@@H](O)CN1 F1911-5596 [0,0,0,1,0,0|2,0,1]=4
15  B8R1.23  CC(=O)C1CC(=O)C1 F2147-4832 [0,0,0,1,0,0|2,0,0]=3
16  B8R1.23  CC(O)C1CC(=O)C1 F2147-4835 [0,0,0,1,0,0|2,0,1]=4
17  B8R1.23  NC(=S)C1CC(=O)C1 F2147-4528 [0,0,0,1,0,0|2,1,0]=4
18  B8R1.23  O=C(O)[C@H]1C[C@@H](F)C1 F1913-7309 [0,0,0,1,0,0|2,0,1]=4
19  B8R1.23  O=C(O)[C@H]1C[C@H](F)C1 F1913-7308 [0,0,0,1,0,0|2,0,1]=4
20  B8R0.28  O=C(O)CCCC(F)F F1905-8061 [0,0,0,0,0,1|2,0,1]=4
21  B7R0.2  C#CC(C)CC(=O)O F1913-0982 [1,1,0,0,0,0|1,0,1]=4
22  B7R0.3  COC(=O)CN=C=O F2163-0159 [1,1,0,0,0,0|1,0,1]=4
23  B7R0.4  C#CCOCC(=O)O F8885-6186 [1,1,0,0,0,0|1,0,1]=4
24  B7R0.4  O=C(O)C#CCCO F1913-6697 [1,1,0,0,0,0|0,0,2]=4
25  B7R0.5  N#CCC(F)C(=O)O F2147-5599 [1,1,0,0,0,0|1,0,1]=4
26  B7R0.5  NC(CCF)C(=O)O F1913-7468 [1,1,0,0,0,0|1,0,1]=4
27  B9R0.7  CC(=O)CCC(C)C(=O)O F2147-8545 [0,1,0,0,0,1|1,0,0]=3
28  B9R0.7  CC(=O)CCC(F)C(=O)O F2147-8556 [0,1,0,0,0,1|1,0,0]=3
29  B9R0.7  CC(C)=CCC(F)C(=O)O F2147-5922 [0,1,0,0,0,1|2,0,0]=4
30  B9R0.7  O=C(O)CCC(F)C(=O)O F2147-5786 [0,1,0,0,0,1|0,0,0]=2
31  B9R0.48  N#CNC(=O)CCC(=O)O F1202-0160 [0,2,0,0,0,0|1,0,0]=3
32  B9R0.11  C=C(C)CC(C)(C)C(=O)O F8884-3397 [0,2,0,0,0,0|2,0,0]=4
33  B9R0.57  CC(CS(C)(=O)=O)C(=O)O F8881-1611 [0,2,0,0,0,0|1,0,1]=4
34  B9R1.35  CC(=O)C1CNC(=O)C1 F2147-8668 [0,0,0,1,0,1|2,0,0]=4
35  B9R1.35  O=C1CC(C(=O)O)CO1 F2147-1585 [0,0,0,1,0,1|1,0,0]=3
36  B9R1.35  O=C1NCC(C(=O)O)O1 F8881-2239 [0,0,0,1,0,1|0,0,0]=2
37  B9R1.53  C=C1CC(CC(=O)O)C1 F1913-0309 [0,0,0,1,0,1|2,0,0]=4
38  B9R1.53  NC(=O)CC1CC(=O)C1 F2147-5199 [0,0,0,1,0,1|2,0,0]=4
39  B9R1.53  O=C(O)CN1CC(O)C1 F1908-0472 [0,0,0,1,0,1|1,0,1]=4
40  B9R1.161  O=C(O)C1CC1[N+](=O)[O-] F2147-1409 [0,0,0,1,0,1|1,0,1]=4
41  B9R1.82  N\C(=N\O)C1CC(=O)C1 F2147-4529 [0,1,0,1,0,0|2,0,0]=4
42  B9R1.95  CC=C1CC(C(=O)O)C1 F2167-7754 [0,1,0,1,0,0|2,0,0]=4