0  B9R1.11  BrCC(=O)C1=NC=CS1 AC040123 [0,0,0,0,0,0|1,0,2]=3
1  B9R1.11  COC(=O)C1=CC=CS1 LN00186303 [0,0,0,0,0,0|2,0,2]=4
2  B9R1.11  COC(=O)C1=CCCC1 AC180978 [0,0,0,0,0,0|3,0,0]=3
3  B9R1.11  COC(=O)C1=CN=CS1 AC021342 [0,0,0,0,0,0|3,0,1]=4
4  B9R1.11  COC(=O)C1=COC=N1 AC050400 [0,0,0,0,0,0|3,0,1]=4
5  B9R1.11  COC(=O)C1=CSC=N1 AC181967 [0,0,0,0,0,0|3,0,1]=4
6  B9R1.11  COC(=O)C1=NC=CN1 AC131054 [0,0,0,0,0,0|2,0,2]=4
7  B9R1.11  COC(=O)C1=NNC=C1 AC510661 [0,0,0,0,0,0|3,0,1]=4
8  B9R1.11  COC(=O)C1=NNC=N1 AC511711 [0,0,0,0,0,0|3,0,1]=4
9  B9R1.11  COC(=O)C1CCCN1 AC511091 [0,0,0,0,0,0|2,0,2]=4
10  B9R1.11  COC(=O)[C@H]1CCCN1 AC021038 [0,0,0,0,0,0|2,0,2]=4
11  B8R1.7  CC(=O)C1=CC=CS1 AC510514 [1,0,0,0,0,0|1,0,2]=4
12  B8R1.7  CC(=O)C1=NC=CN1 AC210047 [1,0,0,0,0,0|1,0,2]=4
13  B8R1.7  CC(=O)C1=NC=CS1 AC510705 [1,0,0,0,0,0|0,0,2]=3
14  B8R1.7  CC(=O)C1=NCCS1 AC180880 [1,0,0,0,0,0|0,0,0]=1
15  B8R1.7  CC(=O)C1CCCC1 AC512080 [1,0,0,0,0,0|2,0,1]=4
16  B8R1.7  OC(=O)C1=CCCC1 AC120012 [1,0,0,0,0,0|3,0,0]=4
17  B8R1.7  OC(=O)C1=NC=CS1 AC510654 [1,0,0,0,0,0|1,0,2]=4
18  B8R1.7  OC(=O)C1CCCS1 AC040081 [1,0,0,0,0,0|2,0,1]=4
19  B10R1.11  CCOC(=O)C1=CNC=N1 AC181470 [0,1,0,0,0,0|2,0,1]=4
20  B10R1.11  CCOC(=O)C1=COC=N1 AC181820 [0,1,0,0,0,0|2,0,1]=4
21  B10R1.11  CCOC(=O)C1=CSC=N1 AC181711 [0,1,0,0,0,0|2,0,1]=4
22  B10R1.11  CCOC(=O)C1=NC=CN1 AC181654 [0,1,0,0,0,0|1,0,2]=4
23  B10R1.11  CCOC(=O)C1=NN=CS1 AC051030 [0,1,0,0,0,0|1,0,1]=3
24  B10R1.11  CCOC(=O)C1=NNC=C1 AC180805 [0,1,0,0,0,0|2,0,1]=4
25  B10R1.14  COC(=O)C1=NC(=CS1)Br LN00202926 [0,1,0,0,0,0|1,0,2]=4
26  B10R1.14  COC(=O)C1=NC(C)=CS1 AC182252 [0,1,0,0,0,0|1,0,2]=4
27  B10R1.14  COC(=O)C1=NC=C(C)S1 AC512066 [0,1,0,0,0,0|1,0,2]=4
28  B8R0.3  CCOC(=O)C(=O)CBr AC131178 [0,0,1,0,0,0|2,1,0]=4
29  B10R2.32  O=C1CCC2=C1SC=C2 AC181664 [0,0,0,1,0,0|1,0,2]=4
30  B10R1.15  COC(=O)C1=CCCCO1 AC170052 [0,0,0,0,0,1|2,1,0]=4
31  B7R1.1  O=CC1=NC=CS1 AC180755 [2,0,0,0,0,0|0,0,2]=4
32  B9R1.73  CCOC(=O)C1CCC1 AC180015 [0,1,0,0,1,0|1,0,1]=4
33  B11R1.30  CCOC(=O)C=C1CCCC1 LN00214045 [0,1,0,0,0,1|2,0,0]=4
34  B11R1.30  CCOC(=O)CC1=NC=CS1 AC182689 [0,1,0,0,0,1|0,0,2]=4
35  B11R1.15  CCOC(=O)C1=NN=C(Br)S1 AC511983 [0,2,0,0,0,0|1,0,1]=4
36  B11R1.15  CCOC(=O)C1=NN=C(Cl)S1 AC182633 [0,2,0,0,0,0|1,0,1]=4
37  B11R1.15  CCOC(=O)C1=NN=C(N)S1 AC511845 [0,2,0,0,0,0|1,0,1]=4