0  B5R0.5  CC(=O)C(F)F 6617 [0,0,0,0,0,0|2,1,1]=4
1  B5R0.5  C[C@@H](C(=O)O)N 5042 [0,0,0,0,0,0|2,1,1]=4
2  B5R0.5  C[C@@H](C(=O)O)N 5087 [0,0,0,0,0,0|2,1,1]=4
3  B4R0.1  B(CC)(O)O 5199 [1,0,0,0,0,0|2,1,0]=4
4  B4R0.1  C(C(F)F)I 5445 [1,0,0,0,0,0|3,0,0]=4
5  B4R0.1  CC(CO)N 6831 [1,0,0,0,0,0|1,1,0]=3
6  B4R0.1  CCC(=O)N 8889 [1,0,0,0,0,0|1,1,1]=4
7  B4R0.1  CCS(=O)[O-] 8969 [1,0,0,0,0,0|2,1,0]=4
8  B4R0.1  C[C@H](CO)N 5724 [1,0,0,0,0,0|1,1,0]=3
9  B6R0.3  CC(C(=O)OC)N 10241 [0,1,0,0,0,0|1,1,1]=4
10  B6R0.7  CC(C(F)(F)F)O 8579 [0,1,0,0,0,0|2,1,0]=4
11  B6R0.7  CC(C)(C(=O)O)F 5038 [0,1,0,0,0,0|1,1,1]=4
12  B6R0.7  CC(C)(C)C(=N)N 8301 [0,1,0,0,0,0|2,0,1]=4
13  B6R0.7  CC(C)(C)S(=O)N 10247 [0,1,0,0,0,0|2,1,0]=4
14  B6R1.11  C1CC1C(=N)N 9380 [0,0,0,1,0,0|2,0,1]=4
15  B6R0.2  B(CC(C)C)(O)O 8277 [0,0,0,0,0,1|2,1,0]=4
16  B3R0.1  C(CI)F 10671 [2,0,0,0,0,0|2,0,0]=4
17  B3R0.1  C(CO)O 5930 [2,0,0,0,0,0|1,1,0]=4
18  B3R0.1  CNOC 5044 [2,0,0,0,0,0|2,0,0]=4
19  B3R0.2  CC(Cl)Cl 6701 [2,0,0,0,0,0|2,0,0]=4
20  B5R0.1  CN(C)CCCl 5994 [1,1,0,0,0,0|1,0,0]=3
21  B5R0.3  C(C(CCl)O)Cl 10131 [1,1,0,0,0,0|1,1,0]=4
22  B5R0.3  C(C(CF)O)F 9295 [1,1,0,0,0,0|1,1,0]=4
23  B5R0.3  C(C(CO)N)O 6680 [1,1,0,0,0,0|1,1,0]=4
24  B5R0.3  C([C@H](CCl)O)O 10506 [1,1,0,0,0,0|1,1,0]=4
25  B5R0.4  CC(C)(C#C)N 8051 [1,1,0,0,0,0|0,0,2]=4
26  B5R0.4  CC(C)(CO)N 9438 [1,1,0,0,0,0|0,1,0]=3
27  B7R0.2  CN(C)CC(CO)O 8841 [0,1,0,0,0,1|1,1,0]=4
28  B7R0.9  CC(=O)OC(C)(C)C 6849 [0,1,0,0,0,1|0,1,1]=4
29  B7R0.14  CC(C)(C)C(=O)CCl 10645 [0,2,0,0,0,0|0,1,1]=4
30  B7R0.17  CC(C)(C)[Si](C)(C)Cl 5764 [0,2,0,0,0,0|1,1,0]=4
31  B5R1.2  C1C(CN1)O 5077 [1,0,0,1,0,0|1,1,0]=4
32  B5R1.2  C1CC(=O)C1 5717 [1,0,0,1,0,0|0,1,1]=4
33  B5R1.3  C1CC1C=O 8503 [1,0,0,1,0,0|0,1,1]=4
34  B5R1.3  C1CC1CN 9710 [1,0,0,1,0,0|1,0,0]=3
35  B5R1.3  C1CC1CO 6152 [1,0,0,1,0,0|0,1,0]=3
36  B7R1.4  CC1C(=O)CCO1 10277 [0,1,0,1,0,0|0,1,1]=4