0  B10R1.22  CC1=CC(C)=C(I)C(C)=C1 CD07694 [0,0,0,0,0,0|1,0,0]=1
1  B10R1.22  CC1=NC(S)=NC(C)=C1C RF00381 [0,0,0,0,0,0|4,0,0]=4
2  B9R1.34  CC1=CC(Br)=CC(Br)=C1 CD03137 [1,0,0,0,0,0|2,0,0]=3
3  B9R1.34  CC1=CC(C)=NC(=S)N1 RJC02291 [1,0,0,0,0,0|3,0,0]=4
4  B9R1.34  ClC1=CC(Cl)=CC(Br)=C1 BTB03107 [1,0,0,0,0,0|3,0,0]=4
5  B9R1.69  CC1=CC(I)=CN=C1O RF04498 [1,0,0,0,0,0|2,0,0]=3
6  B9R1.69  CC1=CN=C(N)C(C)=N1 BTB07911 [1,0,0,0,0,0|3,0,0]=4
7  B9R1.69  ClC1=C(Cl)C=C(I)C=C1 BTB06155 [1,0,0,0,0,0|3,0,0]=4
8  B11R1.14  CC1=CC(CO)=CC(C)=C1Br RH00248 [0,1,0,0,0,0|1,0,0]=2
9  B11R1.32  CC1=CC(C)=C(C)C(I)=C1C CD07686 [0,1,0,0,0,0|2,0,0]=3
10  B11R1.464  CC1=CC(C)=C(C#N)C(S)=N1 RF00112 [0,1,0,0,0,0|3,0,0]=4
11  B10R1.25  COC1=CC=C(Br)C=C1Br DP01258 [1,1,0,0,0,0|2,0,0]=4
12  B10R1.118  CC1=CC(=O)C(Br)=CC1=O RJC03273 [1,1,0,0,0,0|1,0,1]=4
13  B10R1.118  CC1=CC(I)=C(C)C=C1I BTB13663 [1,1,0,0,0,0|2,0,0]=4
14  B12R1.234  COC1=NC(C)=CC(C)=C1C#N RF00141 [0,2,0,0,0,0|2,0,0]=4
15  B12R1.234  CSC1=NC(C)=CC(C)=C1C#N RF00083 [0,2,0,0,0,0|2,0,0]=4
16  B12R1.235  CCC1=CC(=O)C=C(CC)C1=O JFD02728 [0,2,0,0,0,0|1,0,1]=4
17  B12R1.235  COC1=CC(=O)C=C(OC)C1=O CD01312 [0,2,0,0,0,0|1,0,1]=4
18  B12R1.300  O=C1C=C(CO)OC(CO)=C1O XBX00210 [0,2,0,0,0,0|2,0,0]=4
19  B12R1.705  COC1=C(C)C(C)=CC(C)=C1C RF01253 [0,2,0,0,0,0|1,0,0]=3
20  B12R1.3795  CC1=C(C)C(=O)C(C)=C(C)C1=O RJC03282 [0,2,0,0,0,0|1,0,1]=4
21  B12R1.3795  CC1=C(C)C(C)=C(Br)C(C)=C1C CD00055 [0,2,0,0,0,0|1,0,0]=3
22  B12R1.3795  CC1=C(C)C(C)=C(I)C(C)=C1C CD07684 [0,2,0,0,0,0|1,0,0]=3
23  B12R1.1000  CC1=CC(=O)OC(C)=C1C(=O)O KM09734 [0,2,0,0,0,0|2,0,0]=4
24  B12R1.1000  CC1=CC(C)=C(C(=O)O)C(O)=N1 RF00089 [0,2,0,0,0,0|2,0,0]=4
25  B12R1.1000  CC1=CC(C)=C([N+](=O)[O-])C(C)=N1 XBX00240 [0,2,0,0,0,0|1,0,1]=4