0  B11R1.86  CC(C)CC1=C(C)N=CC=N1 HMDB0036174 [0,0,0,0,0,0|0,0,0]=0
1  B10R1.4  C/C=C/C1=C(C)N=CC=N1 HMDB0039991 [1,0,0,0,0,0|0,0,2]=3
2  B10R1.4  CC1=C(CC=C)N=CC=N1 HMDB0039994 [1,0,0,0,0,0|0,0,2]=3
3  B10R1.4  CCCC1=C(C)N=CC=N1 HMDB0041252 [1,0,0,0,0,0|0,0,0]=1
4  B10R1.4  CCCC1=CC=CC=C1C HMDB0032627 [1,0,0,0,0,0|2,0,0]=3
5  B10R1.4  CCCC1=CC=CC=C1O HMDB0032624 [1,0,0,0,0,0|3,0,0]=4
6  B10R1.4  CCOC1=C(C)N=CC=N1 HMDB0031850 [1,0,0,0,0,0|1,0,0]=2
7  B10R1.18  CC(C)CC1=CC=CC=N1 HMDB0037291 [1,0,0,0,0,0|1,0,0]=2
8  B10R1.18  CC(C)CC1=CN=CC=C1 HMDB0037287 [1,0,0,0,0,0|1,0,0]=2
9  B12R1.75  COC1=NC=CN=C1CC(C)C HMDB0031860 [0,1,0,0,0,0|0,0,0]=1
10  B12R1.371  CC(CC1=CC=CC=C1C)C=O HMDB0040245 [0,1,0,0,0,0|2,0,1]=4
11  B10R1.61  CC(=O)C1=NC=CN=C1C HMDB0030001 [0,0,0,0,1,0|1,0,1]=3
12  B10R1.61  CC(C)C1=CC=CC=C1C HMDB0037050 [0,0,0,0,1,0|2,0,0]=3
13  B10R1.61  CC(C)C1=CC=CC=C1O HMDB0032029 [0,0,0,0,1,0|3,0,0]=4
14  B9R1.8  C/C=C/C1=CN=CC=N1 HMDB0040124 [2,0,0,0,0,0|0,0,2]=4
15  B9R1.8  CCCC1=CC=CC=N1 HMDB0032497 [2,0,0,0,0,0|1,0,0]=3
16  B9R1.8  CCCC1=CN=CC=N1 HMDB0041571 [2,0,0,0,0,0|0,0,0]=2
17  B9R1.8  SCCC1=CN=CC=N1 HMDB0037169 [2,0,0,0,0,0|1,0,0]=3
18  B9R1.15  CC1=C(C=C)N=CC=N1 HMDB0039989 [2,0,0,0,0,0|0,0,2]=4
19  B9R1.15  CCC1=C(C)N=CC=N1 HMDB0041254 [2,0,0,0,0,0|0,0,0]=2
20  B9R1.15  COC1=C(C)N=CC=N1 HMDB0031852 [2,0,0,0,0,0|1,0,0]=3
21  B9R1.15  CSC1=C(C)N=CC=N1 HMDB0032384 [2,0,0,0,0,0|1,0,0]=3
22  B11R1.81  C/C=C/C1=C(C)N=C(C)C=N1 HMDB0039987 [1,1,0,0,0,0|0,0,2]=4
23  B11R1.81  CC1=NC(C)=C(CC=C)N=C1 HMDB0039984 [1,1,0,0,0,0|0,0,2]=4
24  B11R1.81  CCCC1=C(C)N=C(C)C=N1 HMDB0039995 [1,1,0,0,0,0|0,0,0]=2
25  B11R1.182  C/C=C/C1=C(C)N=CC(C)=N1 HMDB0039986 [1,1,0,0,0,0|0,0,2]=4
26  B11R1.182  CC1=NC(CC=C)=C(C)N=C1 HMDB0039983 [1,1,0,0,0,0|0,0,2]=4
27  B11R1.182  CCCC1=C(C)N=CC(C)=N1 HMDB0031841 [1,1,0,0,0,0|0,0,0]=2
28  B11R1.509  CC(C)(O)CC1=CC=CC=C1 HMDB0031570 [1,1,0,0,0,0|2,0,0]=4
29  B11R1.53  CCC1=NC=CN=C1C(C)=O HMDB0029410 [0,1,0,0,1,0|1,0,1]=4
30  B11R1.53  COC1=NC=CN=C1C(C)C HMDB0040340 [0,1,0,0,1,0|0,0,0]=2
31  B11R1.166  CC(=O)C1=C(C)N=C(C)C=N1 HMDB0039999 [0,1,0,0,1,0|1,0,1]=4
32  B11R1.167  CC(=O)C1=C(C)N=CC(C)=N1 HMDB0039998 [0,1,0,0,1,0|1,0,1]=4
33  B11R2.20  C1CCC2=C(C1)N=CC=N2 HMDB0033154 [1,0,0,1,0,0|0,0,0]=2
34  B11R2.1  CC1CCC2=C1N=CC=N2 HMDB0037149 [0,0,0,1,1,0|0,0,0]=2
35  B9R1.33  CC1=C(CCO)SC=N1 HMDB0032985 [1,0,0,0,1,0|2,0,0]=4
36  B9R1.6  CC(=C)C1=CN=CC=N1 HMDB0037134 [1,0,0,0,1,0|0,0,2]=4
37  B9R1.6  CC(=O)C1=CN=CC=N1 HMDB0031861 [1,0,0,0,1,0|1,0,1]=4
38  B9R1.6  CC(C)C1=CC=CC=C1 HMDB0034029 [1,0,0,0,1,0|2,0,0]=4
39  B9R1.6  CC(C)C1=CN=CC=N1 HMDB0041570 [1,0,0,0,1,0|0,0,0]=2
40  B9R1.13  CC(C)CC1=NC=CS1 HMDB0031862 [1,0,0,0,1,0|1,0,0]=3