0  B8R1.2  C=CC1=CC=CC=C1 NPA015288 [0,0,0,0,0,0|1,0,1]=2
1  B8R1.2  COC1=CC=CC=C1 NPA018776 [0,0,0,0,0,0|0,1,0]=1
2  B9R1.1  C1=CC(=CC=C1[N+]#N)O NPA002101 [0,1,0,0,0,0|2,0,0]=3
3  B9R1.1  CCC1=NC=C(N=C1)C NPA012481 [0,1,0,0,0,0|3,0,0]=4
4  B9R1.1  O=CC1=CC=C(C=C1)O NPA032546 [0,1,0,0,0,0|2,0,0]=3
5  B9R1.2  CC1=CC(=CC=C1)OC NPA008038 [0,1,0,0,0,0|0,1,0]=2
6  B9R1.2  COC1=CC(=O)OC=C1 NPA036051 [0,1,0,0,0,0|1,1,0]=3
7  B9R1.2  OCC1=CC(=CC=C1)O NPA032542 [0,1,0,0,0,0|2,0,0]=3
8  B9R1.6  C1=CC=C(C=C1)C(=O)O NPA008069 [0,1,0,0,0,0|2,0,0]=3
9  B9R1.15  CC1=NC=CN=C1OC NPA008729 [0,1,0,0,0,0|2,1,0]=4
10  B9R1.15  CCC1=CC=CC=C1C NPA019124 [0,1,0,0,0,0|1,0,0]=2
11  B7R0.1  C/C=C/C/C=C/C=C NPA015312 [0,0,1,0,0,0|1,0,1]=3
12  B7R1.1  CCC1=CC=CO1 NPA014078 [0,0,0,0,1,0|2,0,0]=3
13  B6R0.4  C/C=C/C=C(C)C NPA005636 [1,0,1,0,0,0|0,0,2]=4
14  B8R1.4  CC1=CC(=O)C=CN1 NPA011826 [1,1,0,0,0,0|1,0,0]=3
15  B8R1.4  CC1=CC(=O)C=CO1 NPA012777 [1,1,0,0,0,0|1,0,0]=3
16  B8R1.4  OC1=CC=CC(=C1)O NPA032541 [1,1,0,0,0,0|0,1,0]=3
17  B8R1.5  CC1=C(C=CC=N1)O NPA031163 [1,1,0,0,0,0|1,0,0]=3
18  B8R1.5  CC1=CC=CC=C1O NPA000242 [1,1,0,0,0,0|0,0,0]=2
19  B8R1.1  CCC1=CC=C(O1)C NPA011916 [0,1,0,0,1,0|2,0,0]=4
20  B8R1.7  CC(C)C1=CC=CO1 NPA006134 [0,1,0,0,1,0|2,0,0]=4
21  B8R1.8  COCC1=CC=CO1 NPA016568 [0,1,0,0,1,0|1,1,0]=4
22  B10R1.1  OCCC1=CC=C(C=C1)O NPA032538 [0,2,0,0,0,0|1,0,0]=3
23  B10R1.3  C1=CC(=CC=C1CO)[N+]#N NPA009452 [0,2,0,0,0,0|2,0,0]=4
24  B10R1.3  COC1=CC=C(C=C1)OC NPA013417 [0,2,0,0,0,0|0,1,0]=3
25  B10R1.13  C1=CC(=CC=C1C(=O)N)O NPA016028 [0,2,0,0,0,0|2,0,0]=4
26  B10R1.25  C=CC1=C(C=C(C=C1)O)O NPA017935 [0,2,0,0,0,0|1,0,1]=4
27  B10R1.176  OCC1=CC(=C(C=C1)O)O NPA032543 [0,2,0,0,0,0|2,0,0]=4
28  B10R1.8  C1=C(C=C(C=C1O)O)CO NPA019372 [0,2,0,0,0,0|2,0,0]=4
29  B10R1.10  CCCC1=CC=CC(=O)O1 NPA015262 [0,2,0,0,0,0|2,0,0]=4
30  B10R1.30  CC1=CN=C(C(=N1)SC)C NPA007765 [0,2,0,0,0,0|2,0,0]=4
31  B10R1.113  C1=CC(=CC(=C1)O)C(=O)O NPA007061 [0,2,0,0,0,0|2,0,0]=4
32  B10R1.113  CC1=CC=CC(=C1)C(=O)C NPA016953 [0,2,0,0,0,0|1,0,0]=3
33  B10R1.172  COC1=CC(=CC=C1)OC NPA000357 [0,2,0,0,0,0|0,1,0]=3
34  B10R1.15  CSC(=O)C1=CC=CC=C1 NPA006840 [0,2,0,0,0,0|0,0,0]=2
35  B10R1.28  CC(C)(C1=CC=CC=C1)O NPA011090 [0,2,0,0,0,0|1,0,0]=3
36  B10R1.61  C1=CC=C(C(=C1)C(=O)N)O NPA022113 [0,2,0,0,0,0|2,0,0]=4
37  B10R1.61  CC(=O)C1=CC=CC=C1N NPA005121 [0,2,0,0,0,0|1,0,0]=3
38  B10R1.4  C1=CC=C(C(=C1)CCO)O NPA006680 [0,2,0,0,0,0|1,0,0]=3
39  B10R1.4  C=COC1=CC=CC=C1C NPA027432 [0,2,0,0,0,0|0,1,1]=4
40  B10R1.18  CC(=O)CC1=CC=CC=C1 NPA018784 [0,2,0,0,0,0|1,0,0]=3
41  B10R1.245  CC1=C(C(=O)C=CO1)OC NPA015569 [0,2,0,0,0,0|1,1,0]=4
42  B10R2.7  C1=CC=C2C(=C1)C=CN2 NPA011269 [0,1,0,1,0,0|1,0,1]=4