0  B9R1.15  CC1=NC=CN=C1OC NPA008729 [0,0,0,0,0,0|2,0,0]=2
1  B9R1.15  CCC1=CC=CC=C1C NPA019124 [0,0,0,0,0,0|1,0,0]=1
2  B8R1.2  C=CC1=CC=CC=C1 NPA015288 [1,0,0,0,0,0|1,0,1]=3
3  B8R1.2  COC1=CC=CC=C1 NPA018776 [1,0,0,0,0,0|0,0,0]=1
4  B8R1.5  CC1=C(C=CC=N1)O NPA031163 [1,0,0,0,0,0|1,0,0]=2
5  B8R1.5  CC1=CC=CC=C1O NPA000242 [1,0,0,0,0,0|0,0,0]=1
6  B10R1.4  C1=CC=C(C(=C1)CCO)O NPA006680 [0,1,0,0,0,0|2,0,0]=3
7  B10R1.4  C=COC1=CC=CC=C1C NPA027432 [0,1,0,0,0,0|0,0,1]=2
8  B10R1.25  C=CC1=C(C=C(C=C1)O)O NPA017935 [0,1,0,0,0,0|2,0,1]=4
9  B10R1.25  CC1=CN=C(C(=N1)C)OC NPA005293 [0,1,0,0,0,0|2,0,0]=3
10  B10R1.25  CCC1=NC=C(N=C1C)C NPA003443 [0,1,0,0,0,0|3,0,0]=4
11  B10R1.30  CC1=CN=C(C(=N1)SC)C NPA007765 [0,1,0,0,0,0|2,1,0]=4
12  B10R1.30  CCC1=NC(=CN=C1C)C NPA001872 [0,1,0,0,0,0|3,0,0]=4
13  B10R1.61  C1=CC=C(C(=C1)C(=O)N)O NPA022113 [0,1,0,0,0,0|3,0,0]=4
14  B10R1.61  CC(=O)C1=CC=CC=C1N NPA005121 [0,1,0,0,0,0|2,0,0]=3
15  B10R1.245  CC1=C(C(=O)C=CO1)OC NPA015569 [0,1,0,0,0,0|1,0,0]=2
16  B10R2.7  C1=CC=C2C(=C1)C=CN2 NPA011269 [0,0,0,1,0,0|1,0,2]=4
17  B7R0.1  C/C=C/C/C=C/C=C NPA015312 [1,0,1,0,0,0|0,0,2]=4
18  B9R0.43  CC/C(=C\C)/C=C/C(=O)N NPA011374 [0,1,1,0,0,0|2,0,0]=4
19  B9R1.1  C1=CC(=CC=C1[N+]#N)O NPA002101 [1,1,0,0,0,0|2,0,0]=4
20  B9R1.1  O=CC1=CC=C(C=C1)O NPA032546 [1,1,0,0,0,0|2,0,0]=4
21  B9R1.2  CC1=CC(=CC=C1)OC NPA008038 [1,1,0,0,0,0|0,0,0]=2
22  B9R1.2  COC1=CC(=O)OC=C1 NPA036051 [1,1,0,0,0,0|1,0,0]=3
23  B9R1.2  OCC1=CC(=CC=C1)O NPA032542 [1,1,0,0,0,0|2,0,0]=4
24  B9R1.6  C1=CC=C(C=C1)C(=O)O NPA008069 [1,1,0,0,0,0|2,0,0]=4
25  B9R1.3  C1=CC(=C(C(=C1)O)O)O NPA005967 [1,1,0,0,0,0|1,0,0]=3
26  B9R1.69  CC1=CN=C(C(=N1)C)C NPA017704 [1,1,0,0,0,0|2,0,0]=4
27  B9R1.69  OC1=CC(=C(C=C1)O)O NPA032540 [1,1,0,0,0,0|1,0,0]=3
28  B9R1.41  CC1=CNC=C1C(=O)C NPA004787 [0,1,0,0,1,0|2,0,0]=4
29  B11R1.8  CC1=CC(=C(C(=C1)OC)O)O NPA016178 [0,2,0,0,0,0|1,0,0]=3
30  B11R1.53  CC(=O)C1=CC=CC=C1NO NPA035405 [0,2,0,0,0,0|2,0,0]=4
31  B11R1.277  CC1=CC(=O)C(=CC1=O)OC NPA006462 [0,2,0,0,0,0|1,0,0]=3
32  B11R1.277  COC1=C(C=C(C(=C1)C)C)C NPA028052 [0,2,0,0,0,0|0,0,0]=2
33  B11R1.279  COC1=C(C=C(C=C1)C=O)Br NPA014244 [0,2,0,0,0,0|1,0,0]=3
34  B11R1.279  COC1=C(C=C(C=C1)C=O)Cl NPA003786 [0,2,0,0,0,0|1,0,0]=3
35  B11R1.279  COC1=C(C=C(C=C1)CO)Br NPA009653 [0,2,0,0,0,0|1,0,0]=3
36  B11R1.279  COC1=C(C=C(C=C1)CO)Cl NPA016188 [0,2,0,0,0,0|1,0,0]=3
37  B11R1.464  CC1=CC(=C(C(=O)N1)OC)O NPA001435 [0,2,0,0,0,0|2,0,0]=4
38  B11R1.464  CC1=CC(=CC(=C1C=O)O)O NPA017284 [0,2,0,0,0,0|2,0,0]=4
39  B11R1.280  COC1=C(C=CC(=C1)C=O)Cl NPA005101 [0,2,0,0,0,0|1,0,0]=3
40  B11R2.10  C1C2=CC=CC=C2NC1=O NPA002938 [0,1,0,1,0,0|1,0,1]=4
41  B7R1.1  CCC1=CC=CO1 NPA014078 [1,0,0,0,1,0|2,0,0]=4