0  B10R1.30  CCC1=C(N)C=CC(I)=C1 4091033 [1,0,0,0,0,0|3,0,0]=4
1  B10R1.30  CCC1=CC(Cl)=CC=C1N 4091185 [1,0,0,0,0,0|3,0,0]=4
2  B10R1.172  COC1=CC(CCl)=NC=C1 4087877 [1,0,0,0,0,0|2,0,0]=3
3  B10R1.172  COC1=CC(CN)=NC=C1 4016645 [1,0,0,0,0,0|2,0,0]=3
4  B10R1.172  COC1=CC(CN)=NC=C1 4091226 [1,0,0,0,0,0|2,0,0]=3
5  B10R1.172  CSC1=CC=CC(CN)=C1 4089405 [1,0,0,0,0,0|1,1,0]=3
6  B10R1.172  N#CC1=CC(CN)=CC=C1 4088569 [1,0,0,0,0,0|3,0,0]=4
7  B10R1.172  NCC1=CC=CC(CO)=C1 4088760 [1,0,0,0,0,0|2,0,0]=3
8  B12R1.449  COC1=CC(C=O)=C(Br)C=C1O 3004167 [0,1,0,0,0,0|0,0,2]=3
9  B12R1.449  COC1=CC(C=O)=C(Cl)C=C1O 4004195 [0,1,0,0,0,0|0,0,2]=3
10  B12R1.654  COC1=C(C)C(CN)=NC=C1C 4088887 [0,1,0,0,0,0|3,0,0]=4
11  B12R2.44  NNC1=CC=C2OCOC2=C1 4091107 [0,0,0,1,0,0|2,0,0]=3
12  B12R2.44  OCC1=CC=C2CCNC2=N1 4038071 [0,0,0,1,0,0|3,0,0]=4
13  B9R1.2  CC1=CC(CN)=NC=C1 4088971 [2,0,0,0,0,0|2,0,0]=4
14  B9R1.2  CC1=NC=CC(CCl)=C1 4089416 [2,0,0,0,0,0|2,0,0]=4
15  B9R1.2  CNC1=CC(Cl)=CC=C1 3020438 [2,0,0,0,0,0|2,0,0]=4
16  B9R1.2  NCC1=NC=CC(O)=C1 4014665 [2,0,0,0,0,0|2,0,0]=4
17  B9R1.2  OCC1=NC=CC(Cl)=C1 4088987 [2,0,0,0,0,0|2,0,0]=4
18  B9R1.69  CC1=CC(=O)C(O)=CO1 4045348 [2,0,0,0,0,0|1,0,1]=4
19  B9R1.69  CC1=CN=C(N)C(C)=C1 4090966 [2,0,0,0,0,0|2,0,0]=4
20  B11R1.189  CNCC1=NC=CC(OC)=C1 4016647 [1,1,0,0,0,0|2,0,0]=4
21  B11R1.189  COC1=CC(CNN)=CC=C1 4089831 [1,1,0,0,0,0|1,0,0]=3
22  B11R1.266  CN(C)C1=NC=CC(CO)=C1 4089246 [1,1,0,0,0,0|2,0,0]=4
23  B11R1.21  CC(N)C1=CC(F)=C(O)C=C1 4031422 [1,1,0,0,0,0|2,0,0]=4
24  B11R1.21  CC(N)C1=CC(F)=C(O)C=C1 4089355 [1,1,0,0,0,0|2,0,0]=4
25  B13R1.386  COC1=CC=C(CNN)C=C1OC 4015019 [0,2,0,0,0,0|1,0,0]=3
26  B13R1.2900  CCOC1=CC(C=O)=C(Br)C=C1O 3004202 [0,2,0,0,0,0|0,0,2]=4
27  B11R1.44  COC(=O)C1=CC=C(CCl)O1 3002364 [0,0,1,1,0,0|2,0,0]=4
28  B11R1.44  COC(=O)C1=CC=C(CO)O1 3001847 [0,0,1,1,0,0|1,0,0]=3
29  B13R2.430  CC(N)C1=CC2=C(C=C1)OCO2 3002365 [0,1,0,1,0,0|1,0,0]=3
30  B13R2.57  NCC1=CC=C2OCCCC2=C1 4090229 [0,1,0,1,0,0|2,0,0]=4
31  B13R2.57  NNC1=CC=C2OCCOC2=C1 4090224 [0,1,0,1,0,0|2,0,0]=4
32  B13R2.449  CNCC1=CC2=C(C=C1)OCO2 4090399 [0,1,0,1,0,0|1,0,0]=3
33  B13R2.449  NNCC1=CC=C2OCOC2=C1 4090807 [0,1,0,1,0,0|1,0,0]=3
34  B13R2.449  O=C=NC1=CC=C2OCOC2=C1 3003019 [0,1,0,1,0,0|0,0,2]=4
35  B9R1.132  CC1=C(C)C(CO)=CS1 4027732 [1,0,0,0,1,0|2,0,0]=4