0  B9R1.6  C1=CC=C(C=C1)C(=O)O NPA008069 [0,0,0,0,0,0|2,0,0]=2
1  B8R1.2  C=CC1=CC=CC=C1 NPA015288 [1,0,0,0,0,0|1,0,1]=3
2  B8R1.2  COC1=CC=CC=C1 NPA018776 [1,0,0,0,0,0|2,0,0]=3
3  B10R1.13  C1=CC(=CC=C1C(=O)N)O NPA016028 [0,1,0,0,0,0|2,0,0]=3
4  B10R1.15  CSC(=O)C1=CC=CC=C1 NPA006840 [0,1,0,0,0,0|1,0,0]=2
5  B10R1.28  CC(C)(C1=CC=CC=C1)O NPA011090 [0,1,0,0,0,0|1,0,2]=4
6  B10R1.61  C1=CC=C(C(=C1)C(=O)N)O NPA022113 [0,1,0,0,0,0|2,0,0]=3
7  B10R1.61  CC(=O)C1=CC=CC=C1N NPA005121 [0,1,0,0,0,0|1,0,0]=2
8  B10R1.113  C1=CC(=CC(=C1)O)C(=O)O NPA007061 [0,1,0,0,0,0|2,0,0]=3
9  B10R1.113  C1C(C=CC=C1C(=O)O)N NPA013886 [0,1,0,0,0,0|2,0,1]=4
10  B10R1.113  CC1=CC=CC(=C1)C(=O)C NPA016953 [0,1,0,0,0,0|1,0,0]=2
11  B8R1.7  C1=CN=C(N1)[N+](=O)[O-] NPA018700 [0,0,0,0,1,0|3,0,0]=4
12  B8R1.7  C1=CNC(=C1)C(=O)N NPA022114 [0,0,0,0,1,0|1,0,1]=3
13  B8R1.7  CC(C)C1=CC=CO1 NPA006134 [0,0,0,0,1,0|2,0,1]=4
14  B8R1.7  O=C(O)C1=CN=CN1 NPA032468 [0,0,0,0,1,0|2,0,0]=3
15  B10R1.18  CC(=O)CC1=CC=CC=C1 NPA018784 [0,0,0,0,0,1|1,0,0]=2
16  B7R0.1  C/C=C/C/C=C/C=C NPA015312 [1,0,1,0,0,0|1,0,1]=4
17  B9R1.1  CCC1=NC=C(N=C1)C NPA012481 [1,1,0,0,0,0|1,0,1]=4
18  B9R1.1  O=CC1=CC=C(C=C1)O NPA032546 [1,1,0,0,0,0|1,0,0]=3
19  B9R1.2  CC1=CC(=CC=C1)OC NPA008038 [1,1,0,0,0,0|2,0,0]=4
20  B9R1.15  CC1=NC=CN=C1OC NPA008729 [1,1,0,0,0,0|2,0,0]=4
21  B9R1.15  CCC1=CC=CC=C1C NPA019124 [1,1,0,0,0,0|1,0,1]=4
22  B9R1.35  CC1=CC=C(O1)C(=O)C NPA011986 [0,1,0,0,1,0|1,0,0]=3
23  B9R1.35  CC1=NC=C(N1)C(=O)O NPA032469 [0,1,0,0,1,0|2,0,0]=4
24  B9R1.41  CC1=CNC=C1C(=O)C NPA004787 [0,1,0,0,1,0|0,0,1]=3
25  B11R1.20  C1=CC(=CC=C1CC(=O)N)O NPA016090 [0,1,0,0,0,1|2,0,0]=4
26  B11R1.20  O=C(O)CC1=CC=C(C=C1)O NPA032547 [0,1,0,0,0,1|2,0,0]=4
27  B11R1.86  C1=COC=C(C1=O)CC(=O)O NPA015331 [0,1,0,0,0,1|2,0,0]=4
28  B11R1.157  CC(O)CC1=CC(=CN=C1)O NPA031499 [0,1,0,0,0,1|0,0,2]=4
29  B11R1.852  COC(=O)C1=CC=CC=CO1 NPA009846 [0,1,0,0,0,1|1,0,0]=3
30  B11R1.3  CNC1=CC=C(C=C1)C(=O)N NPA022112 [0,2,0,0,0,0|2,0,0]=4
31  B11R1.21  C1=CC(=C(C=C1C(=O)O)Cl)O NPA011566 [0,2,0,0,0,0|2,0,0]=4
32  B11R1.21  CC1=CC=C(OC1=O)C(=O)C NPA003401 [0,2,0,0,0,0|2,0,0]=4
33  B11R1.166  C1=CC(=C(C=C1Cl)Cl)C(=O)O NPA001349 [0,2,0,0,0,0|2,0,0]=4
34  B11R1.53  CC(=O)C1=CC=CC=C1NO NPA035405 [0,2,0,0,0,0|1,0,0]=3
35  B11R1.159  C1=CC(=C(C(=C1)O)O)C(=O)O NPA015138 [0,2,0,0,0,0|2,0,0]=4
36  B11R1.74  C1=C(C=C(C=C1O)O)C(=O)O NPA005829 [0,2,0,0,0,0|2,0,0]=4
37  B11R1.74  CC(=O)C1=CC(=CC(=C1)O)O NPA013507 [0,2,0,0,0,0|1,0,0]=3
38  B11R1.74  CC1=CC(=CC(=O)N1)C(=O)C NPA015669 [0,2,0,0,0,0|2,0,0]=4
39  B11R1.74  NC1=CC(=CC(=C1)C(=O)O)O NPA030274 [0,2,0,0,0,0|2,0,0]=4
40  B11R1.266  CC(=O)C1=CC=CC(=C1)C=O NPA006924 [0,2,0,0,0,0|1,0,0]=3
41  B11R2.10  C1C2=CC=CC=C2NC1=O NPA002938 [0,0,0,1,0,1|1,0,0]=3
42  B7R1.1  CCC1=CC=CO1 NPA014078 [1,0,0,0,1,0|1,0,1]=4
43  B11R1.91  CC(=O)OCC1=CC=CC=C1 NPA015851 [0,0,0,0,0,2|1,0,0]=3