0  B8R1.8  ClCCN1C=CC=N1 BB53-1069 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.8  ClCCN1C=CN=C1 BB53-0752 [0,0,0,0,0,0|4,0,0]=4
2  B8R1.8  ClCCN1C=NC=N1 BB53-0408 [0,0,0,0,0,0|4,0,0]=4
3  B8R1.8  N#CNC1=NC=CS1 BB52-6243 [0,0,0,0,0,0|2,0,2]=4
4  B8R1.8  NCCC1=NC=CS1 BB52-6118 [0,0,0,0,0,0|1,0,0]=1
5  B8R1.8  NCCN1C=CC=N1 BB53-0567 [0,0,0,0,0,0|2,0,0]=2
6  B8R1.8  NCCN1C=CN=C1 BB52-8954 [0,0,0,0,0,0|3,0,0]=3
7  B8R1.8  NCCN1C=NC=N1 BB52-9325 [0,0,0,0,0,0|3,0,0]=3
8  B8R1.8  OCCN1C=CC=N1 BB52-9321 [0,0,0,0,0,0|3,0,0]=3
9  B8R1.8  OCCN1C=CN=C1 BB52-9402 [0,0,0,0,0,0|4,0,0]=4
10  B8R1.8  OCCN1C=NC=N1 BB52-9136 [0,0,0,0,0,0|4,0,0]=4
11  B8R1.8  S=C=NC1=NC=CS1 BB52-6789 [0,0,0,0,0,0|3,0,1]=4
12  B7R1.1  ClCC1=CSC=N1 BB52-8495 [1,0,0,0,0,0|3,0,0]=4
13  B7R1.1  NNC1=NC=CS1 BB52-5374 [1,0,0,0,0,0|2,0,0]=3
14  B9R1.7  CC1=CC(CCN)=CS1 BB51-2715 [0,1,0,0,0,0|2,0,0]=3
15  B9R1.7  CC1=CN(CCCl)N=C1 BB52-9091 [0,1,0,0,0,0|3,0,0]=4
16  B9R1.7  CC1=CN(CCN)N=C1 BB52-9452 [0,1,0,0,0,0|2,0,0]=3
17  B9R1.7  CC1=CN(CCO)N=C1 BB53-1006 [0,1,0,0,0,0|3,0,0]=4
18  B9R1.7  CCCC1=NN=C(N)S1 BB52-0945 [0,1,0,0,0,0|3,0,0]=4
19  B9R1.11  CC(CO)N1C=CC=N1 BB52-8649 [0,1,0,0,0,0|3,0,0]=4
20  B9R1.12  CNCCN1C=CC=N1 BB52-9466 [0,1,0,0,0,0|2,0,0]=3
21  B9R1.12  CNCCN1C=CN=C1 BB52-9610 [0,1,0,0,0,0|3,0,0]=4
22  B9R1.12  ClCCCN1C=CC=N1 BB53-0013 [0,1,0,0,0,0|3,0,0]=4
23  B9R1.12  OCCCN1C=CC=N1 BB53-1139 [0,1,0,0,0,0|3,0,0]=4
24  B9R1.33  CC1=CSC=C1CCN BB51-2716 [0,1,0,0,0,0|2,0,0]=3
25  B9R1.33  CN1C=NN=C1CCN BB52-8565 [0,1,0,0,0,0|3,0,0]=4
26  B9R1.8  CNCC1=CC=NC=C1 BB52-3970 [0,0,0,0,0,1|3,0,0]=4
27  B9R1.8  N#CCC1=CC=CN=N1 BB20-2554 [0,0,0,0,0,1|1,0,2]=4
28  B6R1.2  ClC1=NC=CS1 BB52-6859 [2,0,0,0,0,0|2,0,0]=4
29  B8R1.1  NCC1=CC=C(Br)O1 BB95-5747 [1,1,0,0,0,0|0,1,0]=3
30  B8R1.7  N=C(N)C1=CC=CO1 BB52-5806 [1,1,0,0,0,0|0,1,1]=4
31  B8R1.11  CN1C=CC=C1CN BB51-0595 [1,1,0,0,0,0|1,0,0]=3
32  B10R1.17  ClCCSC1=NC=CC=C1 BB52-9581 [0,1,0,0,0,1|2,0,0]=4
33  B10R1.17  NCCNC1=NC=CC=C1 BB52-8028 [0,1,0,0,0,1|1,0,0]=3
34  B10R1.17  NCCSC1=NC=CC=C1 BB52-8924 [0,1,0,0,0,1|1,0,0]=3
35  B10R1.17  OCCSC1=NC=CC=C1 BB52-9072 [0,1,0,0,0,1|2,0,0]=4
36  B10R1.18  N=C(N)CC1=CC=CN=C1 BB52-5807 [0,1,0,0,0,1|1,0,1]=4
37  B10R1.18  N=C(N)CC1=NC=CC=C1 BB52-5801 [0,1,0,0,0,1|1,0,1]=4
38  B10R1.16  CC1=CC(NCCN)=NO1 BB53-1047 [0,2,0,0,0,0|2,0,0]=4
39  B10R1.16  CC1=CN(CCCN)N=C1 BB52-8639 [0,2,0,0,0,0|2,0,0]=4
40  B10R1.16  CNCCN1C=C(C)C=N1 BB52-9554 [0,2,0,0,0,0|2,0,0]=4
41  B10R1.130  CC1=CC(C)=NN1CCN BB52-9076 [0,2,0,0,0,0|2,0,0]=4
42  B10R1.9  N#CC(C=O)C1=CC=CS1 BB52-6965 [0,2,0,0,0,0|0,0,2]=4
43  B10R1.21  CCNCCN1C=CC=N1 BB53-0723 [0,2,0,0,0,0|2,0,0]=4
44  B10R1.21  ClCCNCC1=CC=CO1 BB53-1061 [0,2,0,0,0,0|1,1,0]=4
45  B10R1.21  NCCNCC1=CC=CO1 BB52-9675 [0,2,0,0,0,0|0,1,0]=3
46  B10R1.21  OCCNCC1=CC=CO1 BB52-8109 [0,2,0,0,0,0|1,1,0]=4
47  B10R1.66  CC(C)NCC1=CC=CO1 BB52-0642 [0,2,0,0,0,0|1,1,0]=4