0  B9R1.69  CC1=C(Cl)N=CC(Br)=C1 B049974 [0,0,0,0,0,0|3,0,1]=4
1  B9R1.69  CC1=C(O)N=CC(Br)=C1 B049976 [0,0,0,0,0,0|2,0,2]=4
2  B9R1.69  CC1=NC(C)=C(N)C=C1 B049993 [0,0,0,0,0,0|4,0,0]=4
3  B9R1.69  CC1=NC(C)=C(O)C=C1 B049973 [0,0,0,0,0,0|3,0,1]=4
4  B9R1.69  ClC1=CN=C(Cl)C(Cl)=C1 B048629 [0,0,0,0,0,0|3,0,1]=4
5  B9R1.69  NC1=CC(Br)=C(F)C=C1 B049228 [0,0,0,0,0,0|4,0,0]=4
6  B9R1.69  NC1=CC(N)=C(N)C=C1 B050159 [0,0,0,0,0,0|4,0,0]=4
7  B8R1.3  BrC1=CC=C(I)C=N1 B050029 [1,0,0,0,0,0|2,0,1]=4
8  B8R1.3  CC1=CN=C(O)N=C1 B038992 [1,0,0,0,0,0|1,0,2]=4
9  B8R1.3  CC1=CN=C(S)N=C1 B016326 [1,0,0,0,0,0|1,1,1]=4
10  B8R1.3  CC1=CN=C(S)N=C1 B029371 [1,0,0,0,0,0|1,1,1]=4
11  B8R1.3  ClC1=CC=C(Br)C=N1 B050028 [1,0,0,0,0,0|2,0,1]=4
12  B8R1.3  ClC1=CC=C(I)C=N1 B050030 [1,0,0,0,0,0|2,0,1]=4
13  B8R1.5  ClC1=C(I)C=CC=N1 B050034 [1,0,0,0,0,0|2,0,1]=4
14  B8R1.5  NC1=C(Br)C=CC=N1 B049992 [1,0,0,0,0,0|2,0,1]=4
15  B10R1.22  CC1=C(O)C=C(O)C=C1O B049970 [0,1,0,0,0,0|3,0,0]=4
16  B10R1.176  CCC1=CC=C(O)C(N)=C1 B037973 [0,1,0,0,0,0|2,0,1]=4
17  B8R1.50  CC1=NNC(C)=C1Br B001459 [0,0,0,0,1,0|3,0,0]=4
18  B8R1.50  CC1=NNC(C)=C1Cl B001465 [0,0,0,0,1,0|3,0,0]=4
19  B8R1.50  CC1=NNC(C)=C1I B037460 [0,0,0,0,1,0|3,0,0]=4
20  B8R1.50  CC1=NNC(C)=C1N B018722 [0,0,0,0,1,0|3,0,0]=4
21  B8R1.50  CC1=NNC(N)=C1Cl B030216 [0,0,0,0,1,0|3,0,0]=4
22  B9R1.1  NCC1=CC=C(N)C=C1 B049905 [1,1,0,0,0,0|2,0,0]=4
23  B9R1.1  NCC1=CC=C(O)C=C1 B039583 [1,1,0,0,0,0|1,0,1]=4
24  B9R1.34  CC1=CC(O)=CC(=O)O1 B048736 [1,1,0,0,0,0|2,0,0]=4
25  B9R1.15  COC1=CC=CN=C1O B039509 [1,1,0,0,0,0|0,0,2]=4
26  B9R1.22  CC1=CC(C=O)=C(C)S1 B018517 [0,1,0,0,1,0|2,0,0]=4
27  B11R1.279  COC1=C(O)C=C(CN)C=C1 B048498 [0,2,0,0,0,0|1,0,1]=4
28  B7R1.4  CC1=CNN=C1N B007334 [1,0,0,0,1,0|2,0,0]=4
29  B7R1.4  CC1=CNN=C1N B039349 [1,0,0,0,1,0|2,0,0]=4
30  B7R1.4  CC1=NNC=C1Br B030262 [1,0,0,0,1,0|2,0,0]=4
31  B7R1.4  CC1=NNC=C1Cl B020772 [1,0,0,0,1,0|2,0,0]=4
32  B7R1.4  CC1=NNC=C1I B047689 [1,0,0,0,1,0|2,0,0]=4
33  B7R1.4  CC1=NNC=C1N B020740 [1,0,0,0,1,0|2,0,0]=4
34  B7R1.4  CC1=NNC=C1N B047500 [1,0,0,0,1,0|2,0,0]=4