0  B8R1.1  CC1=CC=C(C=O)O1 TCP2934 [0,0,0,0,0,0|0,0,2]=2
1  B7R1.2  Cn1ccc(N)n1 T3295 [1,0,0,0,0,0|3,0,0]=4
2  B7R1.2  O=C1C=CC(=O)N1 T4820 [1,0,0,0,0,0|2,0,1]=4
3  B9R1.21  O=Cc1ccc(CO)o1 T2943 [0,1,0,0,0,0|0,0,1]=2
4  B9R1.22  CC1=CC(C)=C(C=O)N1 T21347 [0,1,0,0,0,0|1,0,2]=4
5  B7R0.4  C\C=C\C=C\C(=O)O T8019 [0,0,1,0,0,0|2,0,1]=4
6  B9R1.1  CCc1ccc(O)cc1 T5883 [0,0,0,0,0,1|3,0,0]=4
7  B9R1.1  OCC1=CC=C(O)C=C1 T3752 [0,0,0,0,0,1|2,0,0]=3
8  B9R1.2  CNc1cccc(C)c1 T0557 [0,0,0,0,0,1|3,0,0]=4
9  B9R1.2  NCc1ccnc(Cl)c1 T7185 [0,0,0,0,0,1|3,0,0]=4
10  B9R1.2  OCc1cccc(O)c1 T4760 [0,0,0,0,0,1|2,0,0]=3
11  B9R1.2  [O-][n+]1cccc(CO)c1 T0257 [0,0,0,0,0,1|3,0,0]=4
12  B6R0.4  NC\C=C\C(=O)O T23414 [1,0,1,0,0,0|2,0,0]=4
13  B6R0.4  O=C(O)\C=C\CO T23473 [1,0,1,0,0,0|1,0,0]=3
14  B6R0.6  CC\C=C/CCO T22295 [1,0,1,0,0,0|0,0,2]=4
15  B6R1.2  C[C-]1C=CC=C1 T20558 [2,0,0,0,0,0|1,0,1]=4
16  B8R1.7  O=C(O)c1ccco1 T5544 [1,1,0,0,0,0|0,0,1]=3
17  B8R1.18  CC1=CC(=O)C(C)O1 T22309 [1,1,0,0,0,0|0,0,1]=3
18  B10R1.1  OCCc1ccc(O)cc1 T2861 [0,1,0,0,0,1|2,0,0]=4
19  B10R1.13  CC1=CC=C(C(C)C)CC1 T7909 [0,1,0,0,0,1|2,0,0]=4
20  B10R1.13  Cc1ccc(C(=O)O)cc1 Fr14438 [0,1,0,0,0,1|1,0,1]=4
21  B10R1.13  O=C1C=CC(C(=O)O)=CO1 T7962 [0,1,0,0,0,1|1,0,1]=4
22  B10R1.176  O=c1cc(CO)occ1O T5889 [0,1,0,0,0,1|1,0,0]=3
23  B10R1.30  CCc1nc(C)ccc1O T7875 [0,1,0,0,0,1|2,0,0]=4
24  B10R1.30  CCc1nc(C)ccc1O T8624 [0,1,0,0,0,1|2,0,0]=4
25  B10R1.31  O=C(O)c1ccc(CO)o1 T5278 [0,2,0,0,0,0|0,0,1]=3
26  B8R1.2  OCC1=CC=CC=C1 T0732 [0,0,1,1,0,0|1,0,1]=4
27  B8R1.2  OCc1ccccn1 T1112 [0,0,1,1,0,0|1,0,1]=4
28  B8R1.2  OCc1cccnc1 T1299 [0,0,1,1,0,0|2,0,0]=4