0  B9R1.3  Cc1cccc(O)c1O T3742 [0,0,0,0,0,0|1,0,0]=1
1  B9R1.3  Cc1occc(=O)c1O T5545 [0,0,0,0,0,0|2,0,0]=2
2  B9R1.3  OC1=CC=CC(O)=C1O T3749 [0,0,0,0,0,0|2,0,0]=2
3  B8R1.4  Oc1cccc(O)n1 T4720 [1,0,0,0,0,0|3,0,0]=4
4  B8R1.5  Nc1ccncc1N T4497 [1,0,0,0,0,0|3,0,0]=4
5  B8R1.5  Nc1ncccc1O T7923 [1,0,0,0,0,0|2,0,0]=3
6  B8R1.5  O=c1ccocc1O TL0015 [1,0,0,0,0,0|2,0,0]=3
7  B8R1.5  ON1C=CC=CC1=S T12593 [1,0,0,0,0,0|2,0,0]=3
8  B10R1.2  CCc1occc(=O)c1O T5566 [0,1,0,0,0,0|2,0,0]=3
9  B10R1.2  COc1cccc(Cl)c1Cl T1358 [0,1,0,0,0,0|2,0,0]=3
10  B10R1.22  CC1=CC(=O)C=C(C)C1=O T4406 [0,1,0,0,0,0|0,0,1]=2
11  B10R1.22  Cc1cc(O)cc(C)c1Cl T0898 [0,1,0,0,0,0|1,0,0]=2
12  B10R1.22  Oc1c(I)cc(I)cc1I T8628 [0,1,0,0,0,0|2,0,0]=3
13  B10R1.119  Cc1c(O)c(=O)ccn1C T1565 [0,1,0,0,0,0|2,0,0]=3
14  B7R0.4  C\C=C\C=C\C(=O)O T8019 [1,0,1,0,0,0|1,0,0]=3
15  B7R0.4  C\C=C\C=C\C(=O)[O-] T4807 [1,0,1,0,0,0|1,0,1]=4
16  B7R1.3  CC1=NC=CC=C1 T21323 [2,0,0,0,0,0|1,0,0]=3
17  B9R1.2  CNc1cccc(C)c1 T0557 [1,1,0,0,0,0|0,0,0]=2
18  B9R1.2  NCc1ccnc(Cl)c1 T7185 [1,1,0,0,0,0|2,0,0]=4
19  B9R1.2  O=Cc1cccc(O)c1 T4778 [1,1,0,0,0,0|1,0,1]=4
20  B9R1.2  OCc1cccc(O)c1 T4760 [1,1,0,0,0,0|1,0,0]=3
21  B9R1.2  [O-][n+]1cccc(CO)c1 T0257 [1,1,0,0,0,0|2,0,0]=4
22  B9R1.34  Cc1cc(O)cc(O)c1 T3748 [1,1,0,0,0,0|1,0,0]=3
23  B9R1.69  Cc1ccc(N)c(N)c1 T7988 [1,1,0,0,0,0|1,0,0]=3
24  B9R1.69  Cc1ccc(O)c(O)c1 T4779 [1,1,0,0,0,0|1,0,0]=3
25  B9R1.69  NC1=C(O)C=C(F)C=C1 T1370 [1,1,0,0,0,0|2,0,0]=4
26  B9R1.15  COc1ccccc1O T1301 [1,1,0,0,0,0|0,0,0]=2
27  B9R1.15  COc1ccccc1O T3267 [1,1,0,0,0,0|0,0,0]=2
28  B9R1.15  OCc1ccccc1O T0311 [1,1,0,0,0,0|0,0,0]=2
29  B11R1.561  CC1=CC=CC(C)(C)CC1=O T8250 [0,1,0,0,0,1|0,0,2]=4
30  B11R1.159  C[C@@H](N)C1=CC=CC(Cl)=C1Cl T22956 [0,2,0,0,0,0|2,0,0]=4
31  B11R1.159  Cc1cccc(C(=O)O)c1O T1423 [0,2,0,0,0,0|0,0,1]=3
32  B11R1.159  O=C(O)c1cccc(O)c1O T4810 [0,2,0,0,0,0|1,0,1]=4
33  B11R1.14  O=Cc1cc(O)c(O)c(O)c1 T7972 [0,2,0,0,0,0|2,0,0]=4
34  B11R1.32  CC1=C(Cl)C(C)=C(Cl)C(O)=C1 T20925 [0,2,0,0,0,0|1,0,0]=3
35  B11R1.156  O=C(O)c1c(O)cccc1O T5873 [0,2,0,0,0,0|2,0,0]=4
36  B9R1.5  O=C1C=CC=CC=C1O T8087 [0,0,1,1,0,0|1,0,1]=4