0  B9R1.1  CSC1=CC=C(Br)C=C1 BTB04532 [1,0,0,0,0,0|1,1,0]=3
1  B11R1.3  CCC1=CC=C(C(=O)O)C=C1 BTB09873 [0,1,0,0,0,0|1,0,1]=3
2  B11R1.3  CNC1=CC=C(C(=O)O)C=C1 JFD03586 [0,1,0,0,0,0|1,0,1]=3
3  B11R1.3  COC1=NC=C(C(N)=S)C=C1 SPB05765 [0,1,0,0,0,0|1,1,1]=4
4  B11R1.3  COC1=NC=C([N+](=O)[O-])C=C1 SEW05471 [0,1,0,0,0,0|2,0,1]=4
5  B11R1.3  O=C(O)C1=CC=C(CO)C=C1 BTB13819 [0,1,0,0,0,0|2,0,0]=3
6  B11R1.279  COC1=C(Br)C=C(C#N)C=C1 JFD00651 [0,1,0,0,0,0|1,0,1]=3
7  B10R1.25  COC1=CC=C(Br)C=C1Br DP01258 [1,1,0,0,0,0|1,0,0]=3
8  B12R1.5  COC(=O)C1=CC=C(CN)C=C1 RJC02323 [0,2,0,0,0,0|1,0,0]=3
9  B12R1.5  COC1=CC=C(C(=O)NN)C=C1 BTB00865 [0,2,0,0,0,0|0,0,2]=4
10  B12R1.6  CNC1=CC=C(S(=O)(=O)O)C=C1 JFD03588 [0,2,0,0,0,0|2,0,0]=4
11  B12R1.113  CCNC1=CC=C(C(=O)O)C=C1 BTB10315 [0,2,0,0,0,0|1,0,1]=4
12  B12R1.4  COC1=CC=C(CC(N)=S)C=C1 DP01386 [0,2,0,0,0,0|0,1,0]=3
13  B12R1.4  COC1=CC=C(NC(N)=O)C=C1 NRB04513 [0,2,0,0,0,0|0,0,2]=4
14  B12R1.71  C#CCOC1=CC=C(C#N)C=C1 KM08122 [0,2,0,0,0,0|1,0,1]=4
15  B12R1.71  COC1=CC=C(OCCN)C=C1 BTB10107 [0,2,0,0,0,0|1,0,0]=3
16  B12R1.71  N#CC1=CC=C(C#CCO)C=C1 KM09036 [0,2,0,0,0,0|2,0,0]=4
17  B12R1.71  N#CC1=CC=C(OCCO)C=C1 RJC02530 [0,2,0,0,0,0|1,0,1]=4
18  B12R1.301  COC1=C(Br)C=C(C#N)C=C1Br SPB00194 [0,2,0,0,0,0|1,0,1]=4
19  B12R1.450  COC1=CC(Br)=C(OC)C=C1Br MB00208 [0,2,0,0,0,0|2,0,0]=4
20  B12R1.450  COC1=CC(C)=C(OC)C=C1I RH01788 [0,2,0,0,0,0|2,0,0]=4
21  B12R1.450  COC1=CC(I)=C(OC)C=C1Cl DP00952 [0,2,0,0,0,0|2,0,0]=4
22  B12R1.450  COC1=CC(I)=C(OC)C=C1I BTB13697 [0,2,0,0,0,0|2,0,0]=4
23  B12R2.44  COC1=CC2=NON=C2C=C1 KM06417 [0,1,0,1,0,0|1,0,0]=3
24  B12R2.44  COC1=CC2=NSN=C2C=C1 RDP00061 [0,1,0,1,0,0|1,1,0]=4
25  B12R2.44  OCC1=CC2=C(C=C1)OCO2 CC01609 [0,1,0,1,0,0|0,0,0]=2
26  B12R2.44  OCC1=CC2=NON=C2C=C1 CC09709 [0,1,0,1,0,0|1,0,0]=3