0  B7R1.1  C#CC1=CC=CS1 CC13047 [1,0,0,0,0,0|0,0,2]=3
1  B7R1.1  NCC1=CN=CS1 MO08602 [1,0,0,0,0,0|1,0,0]=2
2  B7R1.1  NCC1=CSC=C1 CC13113 [1,0,0,0,0,0|2,0,0]=3
3  B7R1.1  NCC1=NC=CS1 CC09513 [1,0,0,0,0,0|1,0,0]=2
4  B7R1.1  O=CC1=CC=CN1 CC08704 [1,0,0,0,0,0|2,0,1]=4
5  B7R1.1  OCC1=NC=CN1 CC08909 [1,0,0,0,0,0|3,0,0]=4
6  B7R1.1  OCC1=NC=CS1 CC09509 [1,0,0,0,0,0|2,0,0]=3
7  B9R1.7  CC1=CSC(CC#N)=N1 SB02109 [0,1,0,0,0,0|1,0,2]=4
8  B9R1.7  CC1=NC(CCN)=CS1 CC54613 [0,1,0,0,0,0|2,0,0]=3
9  B9R1.7  CC1=NC(CCO)=CS1 CC54609 [0,1,0,0,0,0|3,0,0]=4
10  B9R1.7  CNCC1=CC(C)=CS1 CC30646 [0,1,0,0,0,0|2,0,0]=3
11  B9R1.7  CNCC1=CC=C(C)S1 CC65096 [0,1,0,0,0,0|2,0,0]=3
12  B9R1.11  NNC(=O)C1=CC=CN1 RF02986 [0,1,0,0,0,0|2,0,1]=4
13  B9R1.11  NNC(=O)C1=CC=CO1 BTB07860 [0,1,0,0,0,0|1,1,1]=4
14  B9R1.11  O=C(CBr)C1=CC=CS1 CC13005 [0,1,0,0,0,0|1,0,1]=3
15  B9R1.11  O=C(CBr)C1=NC=CS1 CC09505 [0,1,0,0,0,0|2,0,1]=4
16  B9R1.12  N#CCCN1C=CC=C1 CD01949 [0,1,0,0,0,0|2,0,1]=4
17  B9R1.33  CNCC1=C(C)C=CO1 CC55546 [0,1,0,0,0,0|2,1,0]=4
18  B9R1.8  CNCC1=CC=CN=C1 TL00368 [0,0,0,0,0,1|3,0,0]=4
19  B9R1.8  CNCC1=CC=NC=C1 MO00914 [0,0,0,0,0,1|3,0,0]=4
20  B9R1.8  OCCC1=CC=CN=C1 KM09875 [0,0,0,0,0,1|2,0,0]=3
21  B6R1.2  BrC1=CC=CO1 CC02010 [2,0,0,0,0,0|1,1,0]=4
22  B6R1.2  ClC1=NC=CS1 MO07794 [2,0,0,0,0,0|2,0,0]=4
23  B6R1.2  NC1=NC=NS1 MO09049 [2,0,0,0,0,0|2,0,0]=4
24  B8R1.1  CC1=CC(CN)=NO1 CC10413 [1,1,0,0,0,0|2,0,0]=4
25  B8R1.1  CC1=CC=C(C#N)S1 CC65016 [1,1,0,0,0,0|0,0,2]=4
26  B8R1.1  CC1=CC=C(CN)S1 CC65063 [1,1,0,0,0,0|0,0,0]=2
27  B8R1.1  CC1=CSC(CN)=C1 CC30613 [1,1,0,0,0,0|0,0,0]=2
28  B8R1.1  CC1=NC(CN)=CS1 CC05713 [1,1,0,0,0,0|2,0,0]=4
29  B8R1.1  CC1=NOC(CN)=C1 CC27013 [1,1,0,0,0,0|1,1,0]=4
30  B8R1.1  CCC1=CC(N)=NN1 MAY00221 [1,1,0,0,0,0|2,0,0]=4
31  B8R1.1  CN1C=NC(CN)=C1 CC03613 [1,1,0,0,0,0|2,0,0]=4
32  B8R1.1  O=CC1=CC=C(Cl)S1 SEW03796 [1,1,0,0,0,0|1,0,1]=4
33  B8R1.1  OCC1=CC(Br)=CS1 CC28509 [1,1,0,0,0,0|1,0,0]=3
34  B8R1.11  CC1=C(CN)OC=C1 CC55513 [1,1,0,0,0,0|0,1,0]=3
35  B8R1.11  CN1C=CC=C1CN CC02713 [1,1,0,0,0,0|1,0,0]=3
36  B8R1.11  CN1C=NC=C1CN CC23613 [1,1,0,0,0,0|2,0,0]=4
37  B8R1.11  NCC1=C(Br)SC=C1 SPB08448 [1,1,0,0,0,0|2,0,0]=4
38  B8R1.11  O=CC1=C(Br)C=CS1 SEW01928 [1,1,0,0,0,0|1,0,1]=4
39  B8R1.11  O=CC1=C(Cl)C=CS1 SEW06567 [1,1,0,0,0,0|1,0,1]=4
40  B10R1.1  OCCC1=CC=C(O)C=C1 SB01196 [0,1,0,0,0,1|2,0,0]=4
41  B10R1.17  NCCOC1=CC=CC=C1 RF03254 [0,1,0,0,0,1|1,0,0]=3
42  B10R1.21  O=C=NCCC1=CC=CS1 RF05240 [0,2,0,0,0,0|0,0,1]=3
43  B10R1.5  CNCC1=C(OC)C=CS1 CC68646 [0,2,0,0,0,0|2,0,0]=4