0  B9R1.15  CC1=C(CBr)N=CC=C1 B016007 [0,0,0,0,0,0|4,0,0]=4
1  B9R1.15  CC1=C(CBr)N=CC=C1 B062311 [0,0,0,0,0,0|4,0,0]=4
2  B9R1.15  COC1=CC=CN=C1O B039509 [0,0,0,0,0,0|1,1,0]=2
3  B9R1.15  NC1=C(C=O)C=NC=C1 B050347 [0,0,0,0,0,0|4,0,0]=4
4  B9R1.15  NC1=NC=CC=C1C=O B049085 [0,0,0,0,0,0|4,0,0]=4
5  B8R1.5  ClC1=C(I)C=CC=N1 B050034 [1,0,0,0,0,0|3,0,0]=4
6  B8R1.5  NC1=C(Br)C=CC=N1 B049992 [1,0,0,0,0,0|3,0,0]=4
7  B10R1.4  CCOC1=C(N)N=CC=C1 B050894 [0,1,0,0,0,0|2,0,0]=3
8  B9R1.1  NCC1=CC=C(N)C=C1 B049905 [1,1,0,0,0,0|2,0,0]=4
9  B9R1.1  NCC1=CC=C(O)C=C1 B039583 [1,1,0,0,0,0|2,0,0]=4
10  B9R1.6  CC(N)C1=CC=NC=C1 B006179 [1,1,0,0,0,0|2,0,0]=4
11  B9R1.8  BrCCC1=NC=CC=C1 B050856 [1,1,0,0,0,0|2,0,0]=4
12  B9R1.8  CNCC1=CC=CC=N1 B059678 [1,1,0,0,0,0|2,0,0]=4
13  B9R1.8  ClCCC1=NC=CC=C1 B050813 [1,1,0,0,0,0|2,0,0]=4
14  B9R1.8  NOCC1=CC=CC=C1 B022277 [1,1,0,0,0,0|1,0,0]=3
15  B9R1.3  NC1=CC=CC(N)=C1N B050139 [1,1,0,0,0,0|2,0,0]=4
16  B9R1.69  CC1=C(Cl)N=CC(Br)=C1 B049974 [1,1,0,0,0,0|2,0,0]=4
17  B9R1.69  CC1=C(O)N=CC(Br)=C1 B049976 [1,1,0,0,0,0|1,1,0]=4
18  B9R1.69  CC1=NC(C)=C(N)C=C1 B049993 [1,1,0,0,0,0|2,0,0]=4
19  B9R1.69  CC1=NC(C)=C(O)C=C1 B049973 [1,1,0,0,0,0|1,1,0]=4
20  B9R1.69  CC1=NC(N)=CC=C1I B049349 [1,1,0,0,0,0|2,0,0]=4
21  B9R1.69  NC1=CC(Br)=C(F)C=C1 B049228 [1,1,0,0,0,0|2,0,0]=4
22  B9R1.69  NC1=CC(N)=C(N)C=C1 B050159 [1,1,0,0,0,0|2,0,0]=4
23  B11R1.17  CC1=C(OCCN)C=CC=C1 B050096 [0,2,0,0,0,0|1,0,0]=3
24  B11R1.17  NC1=CC=CC=C1OCCO B030703 [0,2,0,0,0,0|1,0,0]=3
25  B11R1.17  NCCCC1=CC=CC=C1Cl B049213 [0,2,0,0,0,0|2,0,0]=4
26  B11R1.81  CCSC1=C(N)C=C(Cl)C=C1 B049688 [0,2,0,0,0,0|1,1,0]=4
27  B11R1.86  NC1=CC=CC=C1OC(F)F B014397 [0,2,0,0,0,0|1,0,0]=3
28  B11R1.222  COC(=O)C1=CC=CN=C1S B047304 [0,2,0,0,0,0|1,0,0]=3
29  B11R1.37  COC1=C(CCl)C=C(Cl)C=C1 B050863 [0,2,0,0,0,0|1,0,0]=3
30  B11R1.37  COC1=CC=C(Br)C=C1C#N B005860 [0,2,0,0,0,0|1,0,0]=3
31  B11R1.37  COC1=CC=C(Br)C=C1C=O B005855 [0,2,0,0,0,0|0,1,0]=3
32  B11R1.166  CC1=CC(C)=C(C(C)N)C=C1 B006832 [0,2,0,0,0,0|2,0,0]=4
33  B11R1.166  CN(C)C1=CC=C(Br)C=C1N B039646 [0,2,0,0,0,0|2,0,0]=4
34  B11R1.279  COC1=C(Br)C=C(C=O)C=C1 B004285 [0,2,0,0,0,0|1,0,0]=3
35  B11R1.279  COC1=C(O)C=C(CN)C=C1 B048498 [0,2,0,0,0,0|0,1,0]=3
36  B11R1.279  COC1=CC=C(C#N)C=C1O B049493 [0,2,0,0,0,0|0,1,0]=3
37  B11R1.280  COC1=C(O)C=CC(C#N)=C1 B004154 [0,2,0,0,0,0|0,1,0]=3
38  B9R1.11  COC(=O)C1=CC=CN1 B049814 [0,0,1,1,0,0|2,0,0]=4
39  B11R2.10  NC1=NC2=CC=CC=C2O1 B039652 [0,1,0,1,0,0|1,0,1]=4
40  B11R2.55  NC1=CC=CC=C1C2CC2 B039285 [0,1,0,1,0,0|2,0,0]=4