0  B10R1.66  CC(=O)OCC1=CC=CO1 LT5083 [0,0,0,0,0,0|1,1,1]=3
1  B10R1.66  CC(=O)SCC1=CC=CO1 LT5373 [0,0,0,0,0,0|1,0,1]=2
2  B10R1.66  CC(=O)\C=C/C1=CC=CO1 HL3203 [0,0,0,0,0,0|2,0,2]=4
3  B10R1.66  CC(C)SCC1=CC=CO1 LT5478 [0,0,0,0,0,0|0,0,0]=0
4  B9R1.12  CCCCC1=CSC=C1 CJ2145 [1,0,0,0,0,0|3,0,0]=4
5  B9R1.12  CCCCC1=NC=CN1 YH04182 [1,0,0,0,0,0|3,0,0]=4
6  B9R1.12  CSSCC1=CC=CO1 XJ5836 [1,0,0,0,0,0|1,0,0]=2
7  B9R1.12  O=CSCC1=CC=CO1 LT5479 [1,0,0,0,0,0|1,0,1]=3
8  B11R1.25  CCC(=O)OCC1=CC=CO1 XJ1137 [0,1,0,0,0,0|1,1,1]=4
9  B11R1.25  CCC(=S)OCC1=CC=CO1 LT5719 [0,1,0,0,0,0|1,1,1]=4
10  B9R1.13  CC(=O)CC1=CC=CN1 RT14091 [0,0,0,0,1,0|2,0,1]=4
11  B9R1.13  CC(C)CC1=NC=CS1 JZ1045 [0,0,0,0,1,0|1,1,0]=3
12  B11R1.91  CC(N)CCC1=CC=CC=C1 XJ4684 [0,0,0,0,0,1|3,0,0]=4
13  B11R1.91  CN(C)CCC1=NC=CC=C1 LT3793 [0,0,0,0,0,1|3,0,0]=4
14  B8R1.8  CNCC1=CC=NO1 YH59432 [2,0,0,0,0,0|2,0,0]=4
15  B8R1.8  CSCC1=CC=CO1 LT5048 [2,0,0,0,0,0|0,0,0]=2
16  B8R1.8  OCCC1=CC=CS1 LT0210 [2,0,0,0,0,0|1,1,0]=4
17  B10R1.21  CCCCCC1=CC=CO1 HL2632 [1,1,0,0,0,0|1,0,0]=3
18  B12R1.891  CC(C)(C)NCC1=CC=CC=C1 LT7365 [0,1,0,0,0,1|2,0,0]=4
19  B10R1.61  CC(C)C1=C(O)C=CC=C1 LL0172 [0,0,1,1,0,0|1,0,1]=4
20  B10R1.113  CC(C)C1=CC(O)=CC=C1 RT10578 [0,0,1,1,0,0|1,0,1]=4
21  B12R2.92  CC1(C)CC1C2=CC=CC=C2 LQ3308 [0,0,0,1,0,1|2,0,0]=4
22  B12R2.2383  C1=COC(COCC2CO2)=C1 XJ2900 [0,0,0,1,0,1|1,1,0]=4
23  B8R1.7  CC(C)C1=CC=CO1 JZ3469 [0,0,0,0,2,0|0,0,0]=2
24  B8R1.7  CC(C)C1=NC=CN1 LT1583 [0,0,0,0,2,0|2,0,0]=4
25  B8R1.7  CC(N)C1=CN=CO1 RT14536 [0,0,0,0,2,0|2,0,0]=4
26  B8R1.7  C[C@@H](N)C1=CC=CO1 RT3868 [0,0,0,0,2,0|1,0,0]=3
27  B10R1.17  CCCCC1=CC=CN=C1 XJ0908 [1,0,0,0,0,1|2,0,0]=4
28  B10R1.17  CCCCC1=NC=CC=C1 HL2877 [1,0,0,0,0,1|2,0,0]=4
29  B10R1.17  CCNCC1=CC=CN=C1 XJ2344 [1,0,0,0,0,1|2,0,0]=4
30  B10R1.17  CCNCC1=CC=NC=C1 YH55114 [1,0,0,0,0,1|2,0,0]=4
31  B10R1.17  ClCSCC1=CC=CC=C1 JZ2415 [1,0,0,0,0,1|2,0,0]=4