0  B8R1.18  CC1=CC(=O)OC1=O TN6957 [0,0,0,0,0,0|3,1,0]=4
1  B8R1.18  CC1OC(C)=CC1=O T22309 [0,0,0,0,0,0|2,1,1]=4
2  B7R1.2  CC1=CCC(=O)O1 T7995 [1,0,0,0,0,0|2,1,0]=4
3  B7R1.2  Cc1cc(N)no1 T0644 [1,0,0,0,0,0|3,0,0]=4
4  B7R1.2  Cn1ccc(N)n1 T3295 [1,0,0,0,0,0|3,0,0]=4
5  B7R1.4  Cn1ccnc1S T0840 [1,0,0,0,0,0|3,0,0]=4
6  B7R1.4  Cn1sccc1=O T19774 [1,0,0,0,0,0|3,0,0]=4
7  B7R1.4  Cn1sccc1=O T28029 [1,0,0,0,0,0|3,0,0]=4
8  B9R1.22  Cc1cc(C#N)c(N)s1 T1376 [0,1,0,0,0,0|2,0,1]=4
9  B9R1.22  Cc1cc(C)c(C=O)[nH]1 T21347 [0,1,0,0,0,0|1,0,2]=4
10  B9R1.69  Cc1c[nH]c(=O)nc1N T5270 [0,0,0,0,0,1|3,0,0]=4
11  B9R1.69  Cc1ccc(N)c(C)c1 T21114 [0,0,0,0,0,1|3,0,0]=4
12  B9R1.69  Cc1cnc(O)c(C)n1 T31572 [0,0,0,0,0,1|2,0,0]=3
13  B9R1.69  Cc1n[nH]c(=O)[nH]c1=O T8648 [0,0,0,0,0,1|3,0,0]=4
14  B6R0.2  CC(C)SC(N)=N T23300 [1,0,1,0,0,0|1,0,1]=4
15  B6R0.3  C/C=C(/C)C(O)=O T3328 [1,0,1,0,0,0|1,1,0]=4
16  B6R0.3  C/C=C(\C)C(O)=O T5542 [1,0,1,0,0,0|1,1,0]=4
17  B6R0.3  CC(=O)C(/C)=N/O T2176 [1,0,1,0,0,0|1,1,0]=4
18  B6R1.2  Cc1cn[nH]c1 T0765 [2,0,0,0,0,0|2,0,0]=4
19  B6R1.2  Cn1ccnc1 T0575 [2,0,0,0,0,0|2,0,0]=4
20  B6R1.2  Nc1nccs1 T0495 [2,0,0,0,0,0|1,0,0]=3
21  B8R1.1  Cc1ccc(C=O)s1 T19154 [1,1,0,0,0,0|1,0,1]=4
22  B8R1.11  CSc1nccn1C T8612 [1,1,0,0,0,0|2,0,0]=4
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  B10R1.118  Cc1nc(C)c(C)nc1C T2722 [0,1,0,0,0,1|1,0,0]=3
26  B10R1.118  Cc1nc(C)c(C)nc1C T2953 [0,1,0,0,0,1|1,0,0]=3
27  B10R1.59  CC(=O)c1cc(C)oc1C T20546 [0,2,0,0,0,0|1,1,0]=4
28  B10R1.130  Cc1nc(N)sc1CCN T22570 [0,2,0,0,0,0|1,0,0]=3
29  B10R1.130  Cc1nc(N)sc1CCN T50112 [0,2,0,0,0,0|1,0,0]=3
30  B8R1.3  Cc1cnc(C)cn1 T4801 [1,0,0,0,0,1|1,0,0]=3