0  B8R1.1  C#CC1=CC=C(Br)S1 F1913-5226 [0,0,0,0,0,0|2,1,1]=4
1  B8R1.1  C#CC1=CC=C(Cl)S1 F2147-2795 [0,0,0,0,0,0|2,1,1]=4
2  B8R1.1  CC1=CN=C(CN)O1 F1967-2304 [0,0,0,0,0,0|3,0,0]=3
3  B8R1.1  CC1=NN=C(CN)O1 F2135-0512 [0,0,0,0,0,0|4,0,0]=4
4  B7R1.1  NCC1=CC=NO1 F2199-0010 [1,0,0,0,0,0|3,0,0]=4
5  B7R1.1  NCC1=CN=CO1 F9995-1827 [1,0,0,0,0,0|3,0,0]=4
6  B7R1.1  OCC1=CN=CO1 F9994-5422 [1,0,0,0,0,0|3,0,0]=4
7  B7R1.2  CC1=CNC(N)=N1 F1907-0643 [1,0,0,0,0,0|3,0,0]=4
8  B9R1.7  CC1=NC=C(CCO)S1 F2147-6736 [0,1,0,0,0,0|2,1,0]=4
9  B9R1.7  CCOC1C=CC(=O)O1 F1905-7455 [0,1,0,0,0,0|1,1,1]=4
10  B9R1.7  CNCC1=CC=C(Br)O1 F2158-0580 [0,1,0,0,0,0|2,0,0]=3
11  B9R1.7  CNCC1=CC=C(Br)S1 F2124-0749 [0,1,0,0,0,0|2,1,0]=4
12  B9R1.7  NCCC1=CC=C(Br)S1 F2124-0452 [0,1,0,0,0,0|2,1,0]=4
13  B9R1.7  NCCC1=CC=C(Br)S1 F8888-5438 [0,1,0,0,0,0|2,1,0]=4
14  B9R1.21  CCN1C=CC(CN)=N1 F2169-0789 [0,1,0,0,0,0|3,0,0]=4
15  B9R1.21  N#CC1=CC=C(C=O)O1 F8888-7399 [0,1,0,0,0,0|2,0,1]=4
16  B9R1.22  CCN1N=C(C)C=C1O F2198-6124 [0,1,0,0,0,0|3,0,0]=4
17  B9R1.23  CC1=C(C)OC(CCl)=N1 F1905-0049 [0,1,0,0,0,0|3,0,0]=4
18  B9R1.23  CCC1=NN(C)C(N)=C1 F8881-6243 [0,1,0,0,0,0|3,0,0]=4
19  B9R1.35  CC1=NN=C(C(C)N)O1 F2158-1438 [0,1,0,0,0,0|3,0,0]=4
20  B9R1.35  NC(=O)C1=CC=C(I)O1 F1303-0037 [0,1,0,0,0,0|3,0,0]=4
21  B9R1.35  O=C(Cl)C1=CC=C(Br)O1 F2190-0123 [0,1,0,0,0,0|3,0,0]=4
22  B9R1.1  C#CC1=NC=C(C)C=C1 F2197-7899 [0,0,0,0,0,1|2,0,1]=4
23  B9R1.2  C#CC1=CC(C)=CN=C1 F2197-7933 [0,0,0,0,0,1|2,0,1]=4
24  B9R1.2  C#CC1=CC(C)=NC=C1 F2197-7905 [0,0,0,0,0,1|2,0,1]=4
25  B9R1.2  C#CC1=NC(C)=CC=C1 F2197-7898 [0,0,0,0,0,1|2,0,1]=4
26  B9R1.2  C#CC1=NC=CC(C)=C1 F2197-7900 [0,0,0,0,0,1|2,0,1]=4
27  B9R1.2  CC1=CC(CN)=NC=C1 F2147-2304 [0,0,0,0,0,1|3,0,0]=4
28  B9R1.2  CC1=NC=CC(CN)=N1 F8881-7607 [0,0,0,0,0,1|3,0,0]=4
29  B9R1.2  CNC1=NC=CC(Cl)=C1 F2108-0064 [0,0,0,0,0,1|3,0,0]=4
30  B9R1.2  CSC1=NN=CC(=O)N1 F1894-0001 [0,0,0,0,0,1|3,0,0]=4
31  B6R1.2  IC1=NC=CO1 F2196-0053 [2,0,0,0,0,0|2,0,0]=4
32  B8R1.7  C=C(C)C1=CC=CO1 F1967-3020 [1,1,0,0,0,0|1,0,0]=3
33  B8R1.7  N=C(N)C1=CC=CO1 F2197-0081 [1,1,0,0,0,0|2,0,0]=4
34  B10R1.3  COC1=NC=C(CCl)C=C1 F1910-8467 [0,1,0,0,0,1|1,1,0]=4
35  B10R1.8  CCC1=NC(C)=NC(N)=C1 F8880-4823 [0,1,0,0,0,1|2,0,0]=4
36  B10R1.8  CNC1=CC(N)=NC(C)=N1 F1967-4857 [0,1,0,0,0,1|2,0,0]=4
37  B10R1.172  COC1=NC=CC(CN)=N1 F1904-5237 [0,1,0,0,0,1|1,1,0]=4
38  B10R1.14  CC1=CC=C(C(O)CN)O1 F2189-0565 [0,2,0,0,0,0|1,0,0]=3
39  B10R1.14  CC1=CC=C(C(O)CN)S1 F2189-0854 [0,2,0,0,0,0|1,1,0]=4