0  B9R1.69  CC1=C(Cl)C=CC(O)=C1 D03468 [0,0,0,0,0,0|1,1,0]=2
1  B9R1.69  NC1=NC(=O)NC=C1F D00323 [0,0,0,0,0,0|2,0,1]=3
2  B9R1.69  O=C1C=C(O)C(Cl)=CN1 D01846 [0,0,0,0,0,0|2,1,1]=4
3  B9R1.69  O=C1NC=C(F)C(=O)N1 D00584 [0,0,0,0,0,0|3,0,1]=4
4  B9R1.69  O=C1NC=C(F)C(=O)N1 D07974 [0,0,0,0,0,0|3,0,1]=4
5  B8R1.3  OC1=CC=C(Cl)C=C1 D00149 [1,0,0,0,0,0|0,1,0]=2
6  B8R1.3  OC1=CC=C(O)C=C1 D00073 [1,0,0,0,0,0|1,0,0]=2
7  B8R1.4  CC1=CC(O)=CC=C1 D04951 [1,0,0,0,0,0|1,0,0]=2
8  B8R1.4  OC1=CC=CC(O)=C1 D00133 [1,0,0,0,0,0|1,0,0]=2
9  B8R1.5  NC1=CC=NC=C1N D10228 [1,0,0,0,0,0|2,0,0]=3
10  B8R1.5  NC1=CC=NC=C1N D10689 [1,0,0,0,0,0|2,0,0]=3
11  B8R1.5  [O-]N1C=CC=CC1=S D01938 [1,0,0,0,0,0|3,0,0]=4
12  B8R1.5  [O-]N1C=CC=CC1=S D05662 [1,0,0,0,0,0|3,0,0]=4
13  B10R1.22  CC1=CC(O)=CC(C)=C1Cl D03473 [0,1,0,0,0,0|1,1,0]=3
14  B10R1.118  OC1=C(Cl)C=C(Cl)C(Cl)=C1 D06224 [0,1,0,0,0,0|1,1,0]=3
15  B10R1.119  [*]C1=C([*])C([*])=C(O)C=C1 D01960 [0,1,0,0,0,0|2,0,0]=3
16  B7R0.4  C\C=C\C=C\C(=O)O D05892 [1,0,1,0,0,0|2,0,0]=4
17  B7R1.3  NC1=CC=NC=C1 D04127 [2,0,0,0,0,0|1,0,0]=3
18  B7R1.3  OC1=CC=CC=C1 D00033 [2,0,0,0,0,0|0,0,0]=2
19  B7R1.3  OC1=CC=CC=C1 D06534 [2,0,0,0,0,0|0,0,0]=2
20  B7R1.3  [O-]C1=CC=CC=C1 D05455 [2,0,0,0,0,0|0,0,1]=3
21  B9R1.1  COC1=CC=C(O)C=C1 D04926 [1,1,0,0,0,0|1,0,0]=3
22  B9R1.34  OC1=CC(O)=CC(O)=C1 D00152 [1,1,0,0,0,0|1,0,0]=3
23  B9R1.15  COC1=CC=CC=C1O D00117 [1,1,0,0,0,0|2,0,0]=4
24  B9R1.15  OC1=CC=CC=C1[Hg]Cl D04932 [1,1,0,0,0,0|1,1,0]=4
25  B9R1.15  OCC1=CC=CC=C1O D05790 [1,1,0,0,0,0|2,0,0]=4
26  B11R1.192  NOCC1=CC(O)=C(Br)C=C1 D03158 [0,2,0,0,0,0|1,1,0]=4