0  B7R1.4  Cn1ccnc1S T0840 [0,0,0,0,0,0|3,0,0]=3
1  B7R1.4  Cn1sccc1=O T19774 [0,0,0,0,0,0|3,0,0]=3
2  B7R1.4  Cn1sccc1=O T28029 [0,0,0,0,0,0|3,0,0]=3
3  B6R1.2  CC1=NCCN1 T21052 [1,0,0,0,0,0|2,0,1]=4
4  B6R1.2  C[c-]1cccc1 T20558 [1,0,0,0,0,0|2,0,1]=4
5  B6R1.2  Cc1cn[nH]c1 T0765 [1,0,0,0,0,0|2,0,0]=3
6  B6R1.2  Cn1ccnc1 T0575 [1,0,0,0,0,0|2,0,0]=3
7  B6R1.2  Nc1nccs1 T0495 [1,0,0,0,0,0|3,0,0]=4
8  B8R1.11  CSc1nccn1C T8612 [0,1,0,0,0,0|2,0,0]=3
9  B8R1.18  CC1=CC(=O)OC1=O TN6957 [0,1,0,0,0,0|2,1,0]=4
10  B6R0.3  CC(=O)C(/C)=N/O T2176 [0,0,1,0,0,0|1,1,0]=3
11  B8R1.4  Cc1cccc(O)c1 T33229 [0,0,0,0,0,1|3,0,0]=4
12  B8R1.4  Cc1cccc([O-])c1 T33983 [0,0,0,0,0,1|3,0,0]=4
13  B8R1.4  Nc1ccnc(O)n1 T4832 [0,0,0,0,0,1|3,0,0]=4
14  B8R1.4  Oc1ccnc(O)c1 T7963 [0,0,0,0,0,1|3,0,0]=4
15  B8R1.4  Sc1nccc(=O)[nH]1 T1310 [0,0,0,0,0,1|3,0,0]=4
16  B8R1.5  Cc1ncccc1O T5901 [0,0,0,0,0,1|2,0,0]=3
17  B8R1.5  Nc1ccncc1N T4497 [0,0,0,0,0,1|3,0,0]=4
18  B8R1.5  Nc1ccncc1N T4497L [0,0,0,0,0,1|3,0,0]=4
19  B8R1.5  Nc1ncccc1O T7923 [0,0,0,0,0,1|3,0,0]=4
20  B5R0.5  CC(=C)C(N)=O TN7113 [1,0,1,0,0,0|1,0,1]=4
21  B5R1.1  c1cc[cH-]c1 T20786 [2,0,0,0,0,0|2,0,0]=4
22  B5R1.1  c1cn[nH]c1 T4842 [2,0,0,0,0,0|2,0,0]=4
23  B5R1.1  c1cnoc1 T7500 [2,0,0,0,0,0|2,0,0]=4
24  B7R1.1  COc1ccoc1 TN2959 [1,1,0,0,0,0|1,1,0]=4
25  B7R1.2  CC1=CCC(=O)O1 T7995 [1,1,0,0,0,0|1,1,0]=4
26  B7R1.2  Cc1cc(N)no1 T0644 [1,1,0,0,0,0|2,0,0]=4
27  B7R1.2  Cn1ccc(N)n1 T3295 [1,1,0,0,0,0|2,0,0]=4
28  B9R1.2  CNc1cccc(C)c1 T0557 [0,1,0,0,0,1|2,0,0]=4
29  B9R1.2  COc1cccc(C)c1 T21278 [0,1,0,0,0,1|2,0,0]=4
30  B9R1.2  NCc1ccnc(Cl)c1 T7185 [0,1,0,0,0,1|2,0,0]=4
31  B9R1.69  Cc1ccc(N)c(C)c1 T21114 [0,1,0,0,0,1|2,0,0]=4
32  B9R1.33  CC1=C(CCCl)SC=N1 T10796 [0,2,0,0,0,0|0,0,0]=2
33  B9R1.33  Cc1[nH]cnc1CCN T50049 [0,2,0,0,0,0|1,0,0]=3
34  B9R1.33  Cc1ncsc1CCCl T14983 [0,2,0,0,0,0|0,0,0]=2
35  B7R1.3  Cc1ccccn1 T21323 [0,0,1,1,0,0|1,0,1]=4