0  B7R1.3  ClC1=CN=CC=N1 3020065 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.2  BrCC1=CN=CC=C1 4090400 [0,1,0,0,0,0|2,0,0]=3
2  B8R1.2  NCC1=NC=NC=C1 4102725 [0,1,0,0,0,0|3,0,0]=4
3  B8R1.2  NNC1=CC=CN=C1 4090882 [0,1,0,0,0,0|2,0,0]=3
4  B8R1.2  NNC1=CC=NC=C1 4089280 [0,1,0,0,0,0|2,0,0]=3
5  B8R1.2  O=CC1=CC=NN=C1 4015481 [0,1,0,0,0,0|2,0,1]=4
6  B8R1.3  CC1=CN=C(O)N=C1 4090925 [0,1,0,0,0,0|2,0,0]=3
7  B8R1.3  NC1=NC=C(Br)C=N1 3020096 [0,1,0,0,0,0|3,0,0]=4
8  B8R1.3  NC1=NN=C(Cl)C=C1 3020090 [0,1,0,0,0,0|3,0,0]=4
9  B6R1.2  BrC1=CC=NS1 4047938 [0,0,0,0,1,0|3,0,0]=4
10  B6R1.2  BrC1=CNN=C1 3001964 [0,0,0,0,1,0|3,0,0]=4
11  B6R1.2  ClC1=CNN=C1 3002277 [0,0,0,0,1,0|3,0,0]=4
12  B6R1.2  IC1=CC=NS1 4075854 [0,0,0,0,1,0|3,0,0]=4
13  B6R1.2  NC1=NNC=C1 3002058 [0,0,0,0,1,0|3,0,0]=4
14  B6R1.2  OC1=CNN=C1 4089099 [0,0,0,0,1,0|2,0,0]=3
15  B7R1.1  C#CC1=CC=CO1 4045318 [0,1,0,0,1,0|2,0,0]=4
16  B7R1.1  C1=NC=C(CO)S1 4050354 [0,1,0,0,1,0|2,0,0]=4
17  B7R1.2  CC1=COC(C)=C1 4091270 [0,1,0,0,1,0|2,0,0]=4
18  B9R1.1  CC1=CN=C(CN)C=C1 4010338 [0,2,0,0,0,0|2,0,0]=4
19  B9R1.1  CC1=CN=C(CN)C=C1 4089721 [0,2,0,0,0,0|2,0,0]=4
20  B9R1.1  CCC1=CN=C(O)N=C1 4090949 [0,2,0,0,0,0|2,0,0]=4
21  B9R1.2  CC1=CC(CN)=NC=C1 4088971 [0,2,0,0,0,0|2,0,0]=4
22  B9R1.2  CC1=CC(NN)=NC=C1 4032386 [0,2,0,0,0,0|2,0,0]=4
23  B9R1.2  CC1=CC=CC(NN)=N1 4089071 [0,2,0,0,0,0|2,0,0]=4
24  B9R1.2  CC1=NC=CC(CCl)=C1 4089416 [0,2,0,0,0,0|2,0,0]=4
25  B9R1.2  CC1=NC=CC(NN)=C1 4088178 [0,2,0,0,0,0|2,0,0]=4
26  B9R1.2  CCC1=CC=NC(O)=N1 4043209 [0,2,0,0,0,0|2,0,0]=4
27  B9R1.2  CNC1=CC(Cl)=CC=C1 3020438 [0,2,0,0,0,0|1,0,0]=3
28  B9R1.2  NCC1=CC(Cl)=NC=C1 4088253 [0,2,0,0,0,0|2,0,0]=4
29  B9R1.2  NCC1=CC(O)=NC=N1 4089851 [0,2,0,0,0,0|2,0,0]=4
30  B9R1.2  NCC1=CC(O)=NC=N1 4110390 [0,2,0,0,0,0|2,0,0]=4
31  B9R1.2  NCC1=NC=CC(O)=C1 4014665 [0,2,0,0,0,0|1,0,0]=3
32  B9R1.2  O=CC1=CC(O)=NC=N1 4110682 [0,2,0,0,0,0|2,0,0]=4
33  B9R1.2  OCC1=NC=CC(Cl)=C1 4088987 [0,2,0,0,0,0|1,0,0]=3
34  B9R1.6  CC(N)C1=CC=NC=C1 3002627 [0,2,0,0,0,0|2,0,0]=4
35  B9R1.6  CC(N)C1=CN=CC=C1 3002415 [0,2,0,0,0,0|2,0,0]=4
36  B9R1.6  CC(N)C1=NC=CC=C1 3001612 [0,2,0,0,0,0|2,0,0]=4
37  B9R1.8  CNCC1=CC=NC=C1 3002392 [0,2,0,0,0,0|2,0,0]=4
38  B9R1.8  NCCC1=NC=CC=C1 3020070 [0,2,0,0,0,0|2,0,0]=4
39  B9R1.15  CC1=C(CCl)C=CN=C1 4010334 [0,2,0,0,0,0|2,0,0]=4
40  B9R1.15  CC1=C(CCl)N=CC=C1 4088897 [0,2,0,0,0,0|2,0,0]=4
41  B9R1.15  CC1=C(CN)C=CN=C1 4088420 [0,2,0,0,0,0|2,0,0]=4
42  B9R1.15  CC1=C(NN)C=CN=C1 4088209 [0,2,0,0,0,0|2,0,0]=4
43  B9R1.15  CC1=NC=CC=C1CCl 4088270 [0,2,0,0,0,0|2,0,0]=4
44  B9R1.15  CCC1=CC=CN=C1Cl 4037222 [0,2,0,0,0,0|2,0,0]=4
45  B9R1.15  COC1=CN=CN=C1N 4065839 [0,2,0,0,0,0|2,0,0]=4
46  B9R1.69  CC1=CC(=O)C(O)=CO1 4045348 [0,2,0,0,0,0|1,0,0]=3
47  B9R1.69  CC1=CN=C(N)C(C)=C1 4090966 [0,2,0,0,0,0|2,0,0]=4
48  B9R1.69  CC1=CN=C(O)N=C1C 4089252 [0,2,0,0,0,0|2,0,0]=4
49  B9R1.3  NC1=C(O)C(Cl)=NC=C1 4054311 [0,2,0,0,0,0|1,0,0]=3