0  B10R1.66  OC(=O)CCC1=NC=CS1 AC181494 [0,0,0,0,0,0|3,1,0]=4
1  B10R1.66  OC(=O)CCN1C=CC=N1 AC190113 [0,0,0,0,0,0|4,0,0]=4
2  B11R1.35  N[C@H](CC1=CC=CS1)C(O)=O AC021680 [0,1,0,0,0,0|2,1,0]=4
3  B9R1.13  CC(=O)CC1=CC=CS1 LN00166067 [0,0,0,0,1,0|0,1,0]=2
4  B9R1.13  OC(=O)CC1=CC=CS1 AC130136 [0,0,0,0,1,0|1,1,0]=3
5  B9R1.13  OC(=O)CC1=CSC=C1 AC130133 [0,0,0,0,1,0|3,0,0]=4
6  B9R1.13  OC(=O)CC1=NC=CS1 AC181403 [0,0,0,0,1,0|2,1,0]=4
7  B9R1.13  OC(=O)CC1=NNC=C1 AC050212 [0,0,0,0,1,0|3,0,0]=4
8  B9R1.13  OC(=O)CC1=NNC=C1 AC050253 [0,0,0,0,1,0|3,0,0]=4
9  B9R1.13  OC(=O)CN1C=CC=N1 AC180911 [0,0,0,0,1,0|3,0,0]=4
10  B11R1.91  CC(=O)C#CC1=CC=CC=C1 AC270040 [0,0,0,0,0,1|2,0,1]=4
11  B11R1.91  NC(=O)OCC1=CC=CC=C1 AC511867 [0,0,0,0,0,1|2,0,0]=3
12  B8R1.8  C1=CSC(=C1)CC=O LN01815545 [2,0,0,0,0,0|0,1,0]=3
13  B8R1.8  NCCC1=CC=CO1 AC030027 [2,0,0,0,0,0|1,0,1]=4
14  B10R1.54  CC(=O)NC1=CC=C(Br)S1 AC181323 [0,1,0,0,1,0|1,1,0]=4
15  B12R1.27  COC(=O)CCC1=CC=CC=C1 AC511452 [0,1,0,0,0,1|2,0,0]=4
16  B12R1.27  OCC(=O)OCC1=CC=CC=C1 AC510721 [0,1,0,0,0,1|1,0,0]=3
17  B12R1.870  CC(=O)OCC1=C(Br)C(C)=NO1 AC360034 [0,2,0,0,0,0|1,0,0]=3
18  B10R1.61  CC(=O)C1=CC=CC=C1O AC510427 [0,0,1,1,0,0|1,0,1]=4
19  B12R2.24  O=C1CCC2=C(C1)C=CC=C2 AC160458 [0,0,0,1,0,1|2,0,0]=4
20  B8R1.7  C1=COC(=N1)C(=O)N LN02009510 [0,0,0,0,2,0|2,0,0]=4
21  B8R1.7  CC(=O)C1=CC=CS1 AC510514 [0,0,0,0,2,0|0,1,0]=3
22  B8R1.7  CC(=O)C1=CSC=C1 AC500077 [0,0,0,0,2,0|2,0,0]=4
23  B8R1.7  CC(=O)C1=NC=CN1 AC210047 [0,0,0,0,2,0|2,0,0]=4
24  B8R1.7  CC(=O)C1=NC=CS1 AC510705 [0,0,0,0,2,0|1,1,0]=4
25  B8R1.7  CC(C)C1=CC=CO1 LN00338375 [0,0,0,0,2,0|1,0,1]=4
26  B8R1.7  ClC(=O)C1=CC=CN1 AC180091 [0,0,0,0,2,0|2,0,0]=4
27  B8R1.7  OC(=O)C1=CC=CO1 AC510992 [0,0,0,0,2,0|1,0,0]=3
28  B8R1.7  OC(=O)C1=CC=NO1 AC050948 [0,0,0,0,2,0|2,0,0]=4
29  B8R1.7  OC(=O)C1=CN=CO1 AC500181 [0,0,0,0,2,0|2,0,0]=4
30  B8R1.7  [O-]C(=O)C1=CC=CS1 AC030126 [0,0,0,0,2,0|1,1,0]=4
31  B12R1.252  OC(=O)COCC1=CC=CC=C1 AC180997 [0,0,0,0,0,2|2,0,0]=4