0  B10R1.11  CCCC(=O)c1cccs1 T20377 [0,0,0,0,0,0|0,1,0]=1
1  B9R1.11  COC(=O)c1ccco1 T8022 [1,0,0,0,0,0|1,0,0]=2
2  B11R1.16  CCCC(=O)c1ccccc1 T20324 [0,0,0,0,0,1|1,0,0]=2
3  B11R1.16  CCOC(=O)c1ccccc1 TN4020 [0,0,0,0,0,1|2,0,0]=3
4  B11R1.16  ClCCC(=O)c1ccccc1 T1342 [0,0,0,0,0,1|2,0,0]=3
5  B11R1.16  OCNC(=O)c1cccnc1 T7869 [0,0,0,0,0,1|3,0,0]=4
6  B8R1.7  CC(=O)[c-]1cccc1 T20583 [2,0,0,0,0,0|1,0,1]=4
7  B8R1.7  CC(=O)c1cccs1 T29331 [2,0,0,0,0,0|0,1,0]=3
8  B8R1.7  CC(=O)c1nccs1 T8042 [2,0,0,0,0,0|1,1,0]=4
9  B8R1.7  OC(=O)c1ccc[nH]1 T4716 [2,0,0,0,0,0|2,0,0]=4
10  B8R1.7  OC(=O)c1ccco1 T5544 [2,0,0,0,0,0|1,0,0]=3
11  B10R1.21  CCCCCc1ccco1 TCS0324 [1,1,0,0,0,0|0,0,1]=3
12  B12R1.16  CCCC(=O)c1ccc(F)cc1 T3679 [0,1,0,0,0,1|1,0,0]=3
13  B12R1.16  CCOC(=O)c1ccc(N)cc1 T0924 [0,1,0,0,0,1|2,0,0]=4
14  B12R1.16  CCOC(=O)c1ccc(N)cc1 T6782 [0,1,0,0,0,1|2,0,0]=4
15  B12R1.16  CCOC(=O)c1ccc(O)cc1 T0834 [0,1,0,0,0,1|2,0,0]=4
16  B12R1.16  OCCC(=O)c1ccc(O)cc1 TN5924 [0,1,0,0,0,1|2,0,0]=4
17  B12R1.17  CCOC(=O)c1cccc(O)c1 T20469 [0,1,0,0,0,1|2,0,0]=4
18  B12R1.17  CCOC(c1cc(N)ccc1)=O T21483 [0,1,0,0,0,1|2,0,0]=4
19  B12R1.107  CC(=O)CC(=O)c1ccccc1 T20345 [0,1,0,0,0,1|1,0,1]=4
20  B12R1.107  CC(C)CC(=O)c1ccccc1 T20363 [0,1,0,0,0,1|1,0,0]=3
21  B12R1.107  CC(C)OC(=O)c1ccccc1 T32225 [0,1,0,0,0,1|2,0,0]=4
22  B12R1.107  CS(=O)CC(=O)c1ccccn1 T33841 [0,1,0,0,0,1|2,0,0]=4
23  B12R1.308  CCOC(=O)c1ccccc1O TN1625 [0,1,0,0,0,1|2,0,0]=4
24  B12R1.308  NCCC(=O)c1ccccc1N T32431 [0,1,0,0,0,1|2,0,0]=4
25  B12R1.1579  CCOC(=O)c1[nH]cc(C)c1C T21349 [0,2,0,0,0,0|2,0,0]=4
26  B12R1.144  CC(C)=CC(=O)c1occc1C TN5853 [0,2,0,0,0,0|0,0,2]=4
27  B10R1.10  CCOc1cccc(O)c1 T20297 [0,0,1,1,0,0|2,0,0]=4
28  B10R1.10  NCCc1cccc(O)c1 T11937 [0,0,1,1,0,0|2,0,0]=4
29  B10R1.10  NCCc1cccc(O)c1 T11937L [0,0,1,1,0,0|2,0,0]=4
30  B10R1.4  CSCc1ccccc1O T33357 [0,0,1,1,0,0|2,0,0]=4
31  B12R2.2  C1CN=C(C1)c2cccnc2 T7671 [0,0,0,1,0,1|2,0,0]=4
32  B10R1.15  CCC(C1=CC=NC=C1)=O T20581 [1,0,0,0,0,1|1,0,0]=3
33  B10R1.15  CNC(=O)c1ccccc1 T12150 [1,0,0,0,0,1|2,0,0]=4
34  B10R1.15  CNC(=O)c1cccnc1 T5233 [1,0,0,0,0,1|2,0,0]=4
35  B10R1.15  COC(=O)c1cccnc1 T5562 [1,0,0,0,0,1|2,0,0]=4
36  B10R1.15  COC(c1ncccc1)=O T22220 [1,0,0,0,0,1|2,0,0]=4
37  B12R1.32  CCCC(=O)Oc1ccccc1 T25946 [0,0,0,0,0,2|1,0,0]=3
38  B12R1.32  CCOC(=O)Cc1ccccc1 T19317 [0,0,0,0,0,2|2,0,0]=4