0  B8R1.8  BrCCN1C=CN=C1 4090634 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.8  NCCC1=NC=CN1 4089072 [0,0,0,0,0,0|2,0,0]=2
2  B7R1.1  NCC1=CC=NO1 4088965 [1,0,0,0,0,0|2,0,0]=3
3  B7R1.1  NCC1=CSC=N1 4091135 [1,0,0,0,0,0|1,0,1]=3
4  B7R1.1  NCC1=NC=CS1 4090081 [1,0,0,0,0,0|2,0,1]=4
5  B7R1.1  NCC1=NC=NN1 4087748 [1,0,0,0,0,0|1,0,1]=3
6  B7R1.1  NCC1=NC=NN1 4089701 [1,0,0,0,0,0|1,0,1]=3
7  B7R1.1  NCC1=NN=NN1 4087792 [1,0,0,0,0,0|2,0,0]=3
8  B9R1.7  CC1=NNC(CCN)=N1 4089173 [0,1,0,0,0,0|1,0,1]=3
9  B9R1.7  NC1=NC(CCO)=CS1 4088097 [0,1,0,0,0,0|2,0,1]=4
10  B9R1.12  NCCCC1=NC=CS1 4088798 [0,1,0,0,0,0|2,0,1]=4
11  B9R1.33  CC1=C(CCN)SC=C1 4004137 [0,1,0,0,0,0|2,0,0]=3
12  B9R1.33  CN1C=CN=C1CCN 4091034 [0,1,0,0,0,0|2,0,0]=3
13  B9R1.8  CNCC1=NC=NC=C1 4089863 [0,0,0,0,0,1|2,0,1]=4
14  B6R1.2  CC1=CC=NN1 3020386 [2,0,0,0,0,0|2,0,0]=4
15  B6R1.2  NC1=NNN=C1 4089216 [2,0,0,0,0,0|1,0,1]=4
16  B8R1.1  CC1=CNC(CN)=N1 4090672 [1,1,0,0,0,0|2,0,0]=4
17  B8R1.1  CC1=NN=C(CN)N1 4090365 [1,1,0,0,0,0|1,0,0]=3
18  B8R1.1  CC1=NN=C(CN)S1 4089176 [1,1,0,0,0,0|2,0,0]=4
19  B8R1.1  NCC1=CSC(N)=N1 4090342 [1,1,0,0,0,0|1,0,1]=4
20  B8R1.7  CC(N)C1=CN=CS1 4067163 [1,1,0,0,0,0|1,0,0]=3
21  B8R1.7  CC(N)C1=NC=CN1 4090114 [1,1,0,0,0,0|2,0,0]=4
22  B8R1.7  CC(N)C1=NN=NN1 4090046 [1,1,0,0,0,0|2,0,0]=4
23  B8R1.7  O=C(O)C1=CN=CN1 4017295 [1,1,0,0,0,0|1,0,1]=4
24  B8R1.11  CC1=C(CCl)SC=N1 4090692 [1,1,0,0,0,0|2,0,0]=4
25  B10R1.1  NCCC1=CN=C(N)C=C1 4062412 [0,1,0,0,0,1|1,0,0]=3
26  B10R1.15  NCC(O)C1=CN=CC=C1 4089667 [0,1,0,0,0,1|1,0,0]=3
27  B10R1.94  CC1=C(C)C(CCN)=CS1 4091155 [0,2,0,0,0,0|2,0,0]=4
28  B10R1.149  CN1C=CN=C1C(O)CN 4089637 [0,2,0,0,0,0|2,0,0]=4
29  B8R1.2  NCC1=NC=NC=C1 4089758 [0,0,1,1,0,0|0,0,2]=4