0  B8R1.3  CC1=CN=C(O)N=C1 4090925 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.3  NC1=NC=C(Br)C=N1 3020096 [0,0,0,0,0,0|4,0,0]=4
2  B8R1.3  NC1=NN=C(Cl)C=C1 3020090 [0,0,0,0,0,0|4,0,0]=4
3  B7R1.3  ClC1=CN=CC=N1 3020065 [1,0,0,0,0,0|3,0,0]=4
4  B9R1.1  CC1=CN=C(CN)C=C1 4010338 [0,1,0,0,0,0|3,0,0]=4
5  B9R1.1  CC1=CN=C(CN)C=C1 4089721 [0,1,0,0,0,0|3,0,0]=4
6  B9R1.1  CCC1=CN=C(O)N=C1 4090949 [0,1,0,0,0,0|3,0,0]=4
7  B9R1.69  CC1=CC(=O)C(O)=CO1 4045348 [0,1,0,0,0,0|2,0,0]=3
8  B9R1.69  CC1=CN=C(N)C(C)=C1 4090966 [0,1,0,0,0,0|3,0,0]=4
9  B9R1.69  CC1=CN=C(O)N=C1C 4089252 [0,1,0,0,0,0|3,0,0]=4
10  B7R1.2  CC1=COC(C)=C1 4091270 [0,0,0,0,1,0|3,0,0]=4
11  B8R1.2  BrCC1=CN=CC=C1 4090400 [1,1,0,0,0,0|2,0,0]=4
12  B8R1.2  NNC1=CC=CN=C1 4090882 [1,1,0,0,0,0|2,0,0]=4
13  B8R1.2  NNC1=CC=NC=C1 4089280 [1,1,0,0,0,0|2,0,0]=4
14  B10R1.1  CNCC1=CC=C(C)C=C1 4089741 [0,2,0,0,0,0|2,0,0]=4
15  B10R1.1  NNCC1=CC=C(Cl)C=C1 4088846 [0,2,0,0,0,0|2,0,0]=4
16  B10R1.1  NNCC1=CC=C(F)C=C1 4088591 [0,2,0,0,0,0|2,0,0]=4
17  B10R1.13  CC1=CC=C(C(C)N)C=C1 3002653 [0,2,0,0,0,0|2,0,0]=4
18  B10R1.13  N=C(N)C1=CC=C(Br)C=C1 4090345 [0,2,0,0,0,0|2,0,0]=4
19  B10R1.13  N=C(N)C1=CC=C(F)C=C1 4089401 [0,2,0,0,0,0|2,0,0]=4
20  B10R1.25  NCC1=C(O)C=C(O)C=C1 4089662 [0,2,0,0,0,0|1,0,0]=3
21  B10R1.22  CC1=CC(N)=CC(C)=C1O 4089353 [0,2,0,0,0,0|1,0,0]=3
22  B10R1.30  CCC1=C(N)C=CC(I)=C1 4091033 [0,2,0,0,0,0|2,0,0]=4
23  B10R1.30  CCC1=CC(Cl)=CC=C1N 4091185 [0,2,0,0,0,0|2,0,0]=4
24  B10R1.119  CC1=C(Cl)C(N)=CC=C1Cl 4089648 [0,2,0,0,0,0|2,0,0]=4
25  B10R1.119  CC1=CC=C(N)C(N)=C1C 3002687 [0,2,0,0,0,0|2,0,0]=4
26  B6R1.2  OC1=CNN=C1 4089099 [1,0,0,0,1,0|2,0,0]=4