0  B8R1.3  Cc1cnc(C)cn1 T4801 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.3  OC1=CC=C(O)C=C1 T0673 [0,0,0,0,0,0|1,0,0]=1
2  B7R1.3  Nc1ccccc1 T4777 [1,0,0,0,0,0|1,0,0]=2
3  B7R1.3  OC1=CC=CC=C1 TCS0927 [1,0,0,0,0,0|0,0,0]=1
4  B9R1.1  O=CC1=CC=C(O)C=C1 BBP00159 [0,1,0,0,0,0|0,0,1]=2
5  B9R1.1  O=Cc1ccc(O)cc1 T2S1814 [0,1,0,0,0,0|0,0,1]=2
6  B9R1.1  OCC1=CC=C(O)C=C1 BBP00170 [0,1,0,0,0,0|0,0,0]=1
7  B9R1.1  OCC1=CC=C(O)C=C1 T3752 [0,1,0,0,0,0|0,0,0]=1
8  B9R1.69  CC1=C(O)C=CC(O)=C1 BBP04832 [0,1,0,0,0,0|1,0,0]=2
9  B9R1.69  CC1=CNC(=O)NC1=O BBP05367 [0,1,0,0,0,0|2,0,1]=4
10  B9R1.69  CC1=CNC(=O)NC1=O TWO2759 [0,1,0,0,0,0|2,0,1]=4
11  B9R1.69  Cc1ccc(O)c(O)c1 T4779 [0,1,0,0,0,0|0,0,0]=1
12  B7R0.6  O=C(O)\C=C/C(=O)O T4913 [0,0,1,0,0,0|3,0,0]=4
13  B7R0.6  O=C(O)\C=C\C(=O)O BBP00430 [0,0,1,0,0,0|3,0,0]=4
14  B7R0.6  O=C(O)\C=C\C(=O)O T3763 [0,0,1,0,0,0|3,0,0]=4
15  B6R1.1  c1cncnc1 T4809 [2,0,0,0,0,0|2,0,0]=4
16  B8R1.2  NCC1=CC=CC=C1 BBP04286 [1,1,0,0,0,0|0,0,0]=2
17  B8R1.2  NCc1ccccc1 T4846 [1,1,0,0,0,0|0,0,0]=2
18  B8R1.2  O=CC1=CC=CC=C1 TWO2659 [1,1,0,0,0,0|0,0,1]=3
19  B8R1.2  OCC1=CC=CC=C1 T0732 [1,1,0,0,0,0|0,0,0]=2
20  B8R1.4  OC1=CC=CC(O)=C1 BBP01971 [1,1,0,0,0,0|0,0,0]=2
21  B8R1.5  O=C1C=COC=C1O BBP03674 [1,1,0,0,0,0|1,0,0]=3
22  B8R1.5  OC1=C(O)C=CC=C1 BBP01074 [1,1,0,0,0,0|0,0,0]=2
23  B8R1.5  Oc1ccccc1O T4847 [1,1,0,0,0,0|0,0,0]=2
24  B8R1.1  CC1=CC=C(C=O)O1 TCP2934 [0,1,0,0,1,0|1,0,1]=4
25  B10R1.1  N#CCC1=CC=C(O)C=C1 BBP04442 [0,2,0,0,0,0|0,0,0]=2
26  B10R1.1  NCCc1ccc(O)cc1 T3095 [0,2,0,0,0,0|0,0,0]=2
27  B10R1.1  OCCC1=CC=C(O)C=C1 BBP01578 [0,2,0,0,0,0|0,0,0]=2
28  B10R1.1  OCCc1ccc(O)cc1 T2861 [0,2,0,0,0,0|0,0,0]=2
29  B10R1.13  CC(=O)C1=CC=C(O)C=C1 BBP00283 [0,2,0,0,0,0|0,0,0]=2
30  B10R1.13  Nc1ccc(C(=O)O)cc1 T1311 [0,2,0,0,0,0|1,0,0]=3
31  B10R1.13  O=C(O)C1=CC=C(O)C=C1 BBP00210 [0,2,0,0,0,0|0,0,1]=3
32  B10R1.13  O=C(O)C1=CC=C(O)C=C1 T2989 [0,2,0,0,0,0|0,0,1]=3
33  B10R1.13  O=C(O)c1ccc(O)nc1 T4816 [0,2,0,0,0,0|1,0,1]=4
34  B10R1.176  O=C1C=C(CO)OC=C1O BBP04330 [0,2,0,0,0,0|1,0,0]=3
35  B10R1.176  O=CC1=CC(O)=C(O)C=C1 BBP00813 [0,2,0,0,0,0|0,0,1]=3
36  B10R1.176  O=Cc1ccc(O)c(O)c1 T3018 [0,2,0,0,0,0|0,0,1]=3
37  B10R1.22  CC1=CC(=O)C=C(C)C1=O T4406 [0,2,0,0,0,0|1,0,1]=4
38  B10R1.30  CN1C=CC(=O)C(C#N)=C1 BBP02218 [0,2,0,0,0,0|1,0,1]=4
39  B10R1.30  O=CC1=C(O)C=CC(O)=C1 BBP01230 [0,2,0,0,0,0|1,0,0]=3
40  B6R0.2  CC(C)=CC(=O)O BBP04714 [0,0,1,0,1,0|1,0,1]=4