0  B7R1.1  NCC1=CN=CS1 MO08602 [1,0,0,0,0,0|2,0,0]=3
1  B7R1.1  NCC1=CSC=C1 CC13113 [1,0,0,0,0,0|0,0,0]=1
2  B7R1.1  NCC1=NC=CS1 CC09513 [1,0,0,0,0,0|3,0,0]=4
3  B9R1.7  CC1=NC(CCN)=CS1 CC54613 [0,1,0,0,0,0|1,0,0]=2
4  B9R1.7  CC1=NC(CCO)=CS1 CC54609 [0,1,0,0,0,0|2,0,0]=3
5  B9R1.7  CNCC1=CSC(C)=N1 CC05746 [0,1,0,0,0,0|3,0,0]=4
6  B9R1.11  O=C(CBr)C1=CSC=C1 CC13105 [0,1,0,0,0,0|1,0,1]=3
7  B9R1.12  N#CCCN1C=CC=C1 CD01949 [0,1,0,0,0,0|2,0,1]=4
8  B9R1.33  CNCC1=C(Br)OC=C1 CC64796 [0,1,0,0,0,0|2,1,0]=4
9  B9R1.33  CNCC1=C(Br)SC=C1 CC56646 [0,1,0,0,0,0|2,0,0]=3
10  B9R1.33  CNCC1=C(C)OC=C1 CC55446 [0,1,0,0,0,0|2,1,0]=4
11  B9R1.33  CNCC1=CSC=C1Br CC54296 [0,1,0,0,0,0|2,0,0]=3
12  B9R1.33  O=C=NC1=CSC=C1Br CC54206 [0,1,0,0,0,0|2,0,1]=4
13  B9R1.8  CNCC1=CC=CN=C1 TL00368 [0,0,0,0,0,1|3,0,0]=4
14  B9R1.8  CNCC1=CC=NC=C1 MO00914 [0,0,0,0,0,1|3,0,0]=4
15  B9R1.8  OCCC1=CC=CN=C1 KM09875 [0,0,0,0,0,1|2,0,0]=3
16  B8R1.1  CC1=CC(CN)=NO1 CC10413 [1,1,0,0,0,0|1,1,0]=4
17  B8R1.1  CC1=CC=C(CN)S1 CC65063 [1,1,0,0,0,0|2,0,0]=4
18  B8R1.1  CC1=CSC(CN)=C1 CC30613 [1,1,0,0,0,0|2,0,0]=4
19  B8R1.1  CC1=NC(CCl)=CS1 CD09497 [1,1,0,0,0,0|2,0,0]=4
20  B8R1.1  CC1=NC(CN)=CS1 CC05713 [1,1,0,0,0,0|1,0,0]=3
21  B8R1.1  CC1=NC(CO)=CS1 CC05709 [1,1,0,0,0,0|2,0,0]=4
22  B8R1.1  CC1=NOC(CN)=C1 CC27013 [1,1,0,0,0,0|2,0,0]=4
23  B8R1.1  CCC1=CC(N)=NN1 MAY00221 [1,1,0,0,0,0|2,0,0]=4
24  B8R1.1  CN1C=NC(CN)=C1 CC03613 [1,1,0,0,0,0|2,0,0]=4
25  B8R1.7  N=C(N)C1=COC=C1 MO00101 [1,1,0,0,0,0|0,1,1]=4
26  B8R1.7  NC(=S)C1=COC=C1 MO00105 [1,1,0,0,0,0|0,1,1]=4
27  B8R1.7  O=C(O)C1=CSC=C1 CC13101 [1,1,0,0,0,0|1,0,1]=4
28  B8R1.11  CC1=C(CN)OC=C1 CC55513 [1,1,0,0,0,0|2,0,0]=4
29  B8R1.11  CC1=C(CO)C=CO1 CD10514 [1,1,0,0,0,0|1,1,0]=4
30  B8R1.11  CN1C=CC=C1CN CC02713 [1,1,0,0,0,0|2,0,0]=4
31  B8R1.11  CN1C=NC=C1CN CC23613 [1,1,0,0,0,0|2,0,0]=4
32  B8R1.11  N#CC1=C(Br)SC=C1 CC56616 [1,1,0,0,0,0|0,0,2]=4
33  B8R1.11  N#CC1=C(N)SC=C1 GK01096 [1,1,0,0,0,0|0,0,2]=4
34  B8R1.11  NCC1=C(Br)SC=C1 SPB08448 [1,1,0,0,0,0|0,0,0]=2
35  B8R1.11  O=CC1=C(Br)SC=C1 CC56604 [1,1,0,0,0,0|1,0,1]=4
36  B8R1.11  OCC1=CSC=C1Br CC54209 [1,1,0,0,0,0|1,0,0]=3
37  B10R1.1  CCCC1=CN=C(Cl)N=C1 RJC02409 [0,1,0,0,0,1|2,0,0]=4
38  B10R1.1  OCCC1=CC=C(O)C=C1 SB01196 [0,1,0,0,0,1|2,0,0]=4
39  B10R1.17  NCCOC1=CC=CC=C1 RF03254 [0,1,0,0,0,1|1,0,0]=3
40  B10R1.27  NNC(=O)CC1=CSC=C1 SPB02354 [0,2,0,0,0,0|0,0,1]=3