0  B10R1.1  OCCC1=CC=C(C=C1)O NPA032538 [0,0,0,0,0,0|1,0,2]=3
1  B9R1.1  C1=CC(=CC=C1[N+]#N)O NPA002101 [1,0,0,0,0,0|3,0,0]=4
2  B9R1.1  CCC1=NC=C(N=C1)C NPA012481 [1,0,0,0,0,0|2,0,1]=4
3  B9R1.1  O=CC1=CC=C(C=C1)O NPA032546 [1,0,0,0,0,0|1,0,0]=2
4  B11R1.1  C1=CC(=CC=C1C/C=N\O)O NPA021086 [0,1,0,0,0,0|1,0,1]=3
5  B11R1.20  C1=CC(=CC=C1CC(=O)N)O NPA016090 [0,1,0,0,0,0|1,0,0]=2
6  B11R1.20  O=C(O)CC1=CC=C(C=C1)O NPA032547 [0,1,0,0,0,0|1,0,0]=2
7  B11R1.22  OC[C@H](O)C1=CC=C(C=C1)O NPA027819 [0,1,0,0,0,0|1,0,2]=4
8  B8R1.2  C=CC1=CC=CC=C1 NPA015288 [2,0,0,0,0,0|0,0,1]=3
9  B8R1.2  COC1=CC=CC=C1 NPA018776 [2,0,0,0,0,0|1,0,1]=4
10  B10R1.3  C1=CC(=CC=C1CO)[N+]#N NPA009452 [1,1,0,0,0,0|1,0,1]=4
11  B10R1.3  COC1=CC=C(C=C1)OC NPA013417 [1,1,0,0,0,0|1,0,1]=4
12  B10R1.13  C1=CC(=CC=C1C(=O)N)O NPA016028 [1,1,0,0,0,0|1,0,0]=3
13  B10R1.25  C=CC1=C(C=C(C=C1)O)O NPA017935 [1,1,0,0,0,0|1,0,1]=4
14  B10R1.176  OCC1=CC(=C(C=C1)O)O NPA032543 [1,1,0,0,0,0|1,0,1]=4
15  B10R1.4  C1=CC=C(C(=C1)CCO)O NPA006680 [1,1,0,0,0,0|0,0,2]=4
16  B10R1.4  C=COC1=CC=CC=C1C NPA027432 [1,1,0,0,0,0|2,0,0]=4
17  B10R1.18  CC(=O)CC1=CC=CC=C1 NPA018784 [1,1,0,0,0,0|0,0,0]=2
18  B12R1.1  C1=CC(=CC=C1/C=C\NC=O)O NPA020914 [0,2,0,0,0,0|1,0,1]=4
19  B12R1.21  C1=CC(=CC=C1N=NC(=O)N)O NPA014946 [0,2,0,0,0,0|2,0,0]=4
20  B12R1.21  CC(=O)CCC1=CC=C(C=C1)O NPA010023 [0,2,0,0,0,0|1,0,0]=3
21  B12R1.4  COC1=CC=C(C=C1)NC(=O)C NPA031034 [0,2,0,0,0,0|1,0,0]=3
22  B12R1.19  C1=CC(=C(C=C1CC(=O)N)Cl)O NPA019761 [0,2,0,0,0,0|1,0,0]=3
23  B12R1.5  CCC1=CC=C(C=C1)C(CO)O NPA006054 [0,2,0,0,0,0|0,0,2]=4
24  B12R1.5  COC1=CC=C(C=C1)C(CO)O NPA004620 [0,2,0,0,0,0|0,0,2]=4
25  B12R1.5  COC1=CC=C(C=C1)[C@@H](O)CO NPA031787 [0,2,0,0,0,0|0,0,2]=4
26  B12R1.116  CCCC1=CC=C(C=C1)C[N+]#N NPA027158 [0,2,0,0,0,0|1,0,1]=4
27  B10R2.7  C1=CC=C2C(=C1)C=CN2 NPA011269 [1,0,0,1,0,0|1,0,1]=4
28  B8R1.1  CCC1=CC=C(O1)C NPA011916 [1,0,0,0,1,0|1,0,1]=4