0  B11R1.4  CCCCCCC1=CC=CS1 LN00220512 [0,1,0,0,0,0|0,0,0]=1
1  B11R1.4  CCCCCCC1=CSC=C1 AC250005 [0,1,0,0,0,0|2,0,0]=3
2  B11R1.29  CNCC[C@@H](C1=CC=CS1)O LN00173268 [0,1,0,0,0,0|1,0,0]=2
3  B11R1.29  CNCC[C@H](O)C1=CC=CS1 AC021696 [0,1,0,0,0,0|1,0,0]=2
4  B11R1.30  CCOC(=O)CC1=NC=CS1 AC182689 [0,1,0,0,0,0|2,0,1]=4
5  B11R2.2  C1COC(O1)C2=CC=CS2 AC290065 [0,0,0,1,0,0|2,0,0]=3
6  B11R2.18  C1CNCCN2C=CN=C12 LN00245212 [0,0,0,1,0,0|3,0,0]=4
7  B11R2.106  O=C1CCCC2=C1C=CS2 AC020430 [0,0,0,1,0,0|1,0,1]=3
8  B11R2.191  C1CC2=NC=CN2C1CO LN00004597 [0,0,0,1,0,0|3,0,0]=4
9  B11R1.28  BrCCOCC1=CC=CC=C1 AC500208 [0,0,0,0,0,1|3,0,0]=4
10  B11R1.28  C1=CC=C(C=C1)COCCBr LN00010106 [0,0,0,0,0,1|3,0,0]=4
11  B11R1.28  C1=CC=C(C=C1)COCCN LN02222953 [0,0,0,0,0,1|3,0,0]=4
12  B11R1.28  NCCOCC1=CC=CC=C1 AC181970 [0,0,0,0,0,1|3,0,0]=4
13  B11R1.28  OCCOCC1=CC=CC=C1 AC511762 [0,0,0,0,0,1|3,0,0]=4
14  B8R1.8  C1=CSC(=C1)CC=O LN01815545 [2,0,0,0,0,0|1,0,1]=4
15  B8R1.8  N#CCC1=CC=CS1 AC510689 [2,0,0,0,0,0|1,0,1]=4
16  B8R1.8  NCCC1=CC=CO1 AC030027 [2,0,0,0,0,0|1,1,0]=4
17  B12R1.8  BrCCCCOC1=CC=CC=C1 AC020598 [0,1,0,0,0,1|2,0,0]=4
18  B12R1.8  BrCCCOCC1=CC=CC=C1 AC160468 [0,1,0,0,0,1|2,0,0]=4
19  B12R1.8  OCCCOCC1=CC=CC=C1 AC511134 [0,1,0,0,0,1|2,0,0]=4
20  B12R1.252  C[C@@H](COCC1=CC=CC=C1)O LN01358023 [0,1,0,0,0,1|2,0,0]=4
21  B10R2.7  C1CC2=C(SC=C2)C=N1 AC010152 [1,0,0,1,0,0|1,0,1]=4
22  B10R2.7  C1CCC2=C(C1)NC=N2 AC511945 [1,0,0,1,0,0|2,0,0]=4
23  B10R2.7  C1CN2C=CC=C2CN1 AC190017 [1,0,0,1,0,0|2,0,0]=4
24  B10R2.7  C1CNCC2=C1N=CS2 LN00220081 [1,0,0,1,0,0|2,0,0]=4
25  B12R2.2  C1CC(CN1)C2=CC=CC=C2 AC181320 [0,0,0,1,0,1|2,0,0]=4
26  B12R2.2  C1CC(CN1)C2=NC=CC=C2 AC020264 [0,0,0,1,0,1|2,0,0]=4
27  B12R2.2  C1CNC(C1)C2=CC=CN=C2 AC180329 [0,0,0,1,0,1|2,0,0]=4
28  B12R2.2  C1CNC(C1)C2=CC=NC=C2 AC181354 [0,0,0,1,0,1|2,0,0]=4
29  B12R2.1081  C1=CC=C2C(=C1)CCCC2N LN00224938 [0,0,0,1,0,1|2,0,0]=4
30  B12R2.1081  CC1CNCC2=C1C=CC=C2 LN00001946 [0,0,0,1,0,1|2,0,0]=4
31  B12R2.1081  CC1CNCC2=CC=CC=C12 LN00245503 [0,0,0,1,0,1|2,0,0]=4
32  B12R2.1081  CC1NCCC2=C1C=CC=C2 AC181112 [0,0,0,1,0,1|2,0,0]=4
33  B12R2.1081  N[C@@H]1CCCC2=C1N=CC=C2 AC020125 [0,0,0,1,0,1|2,0,0]=4
34  B12R2.1081  N[C@@H]1CCCC2=C1N=CC=C2 AC170078 [0,0,0,1,0,1|2,0,0]=4
35  B12R2.1081  N[C@H]1CCCC2=C1N=CC=C2 AC020124 [0,0,0,1,0,1|2,0,0]=4
36  B12R2.1081  OC1CCCC2=C1C=CC=C2 AC220110 [0,0,0,1,0,1|2,0,0]=4
37  B12R2.1081  OC1CCCC2=C1N=CC=C2 AC182113 [0,0,0,1,0,1|2,0,0]=4