0  B11R1.267  COC1=C(Cl)C(CO)=CC=C1 9934AL [0,0,0,0,0,0|3,0,0]=3
1  B11R1.267  COC1=CN=CC(C#N)=C1N 9193AC [0,0,0,0,0,0|4,0,0]=4
2  B10R1.2  CNC1=CC=CC(Br)=C1C 2219AJ [1,0,0,0,0,0|3,0,0]=4
3  B10R1.2  COC1=CN=CC(N)=C1N Y7354 [1,0,0,0,0,0|3,0,0]=4
4  B10R1.2  CSC1=C(O)C(F)=CC=C1 Z0334 [1,0,0,0,0,0|1,1,0]=3
5  B10R1.172  COC1=CC(CBr)=CC=C1 B984 [1,0,0,0,0,0|2,0,0]=3
6  B10R1.172  COC1=CC=CC(CBr)=N1 7829AA [1,0,0,0,0,0|3,0,0]=4
7  B10R1.172  COC1=NC=CC(CBr)=C1 Z2768 [1,0,0,0,0,0|3,0,0]=4
8  B12R1.440  CNC1=CC=CC(C(=O)O)=C1O 0089AP [0,1,0,0,0,0|3,0,0]=4
9  B12R1.654  COC1=C(Br)C(C=O)=C(F)C=C1 Z0224 [0,1,0,0,0,0|3,0,0]=4
10  B12R1.1879  COC1=CC=CC(CBr)=C1CBr 1487AL [0,1,0,0,0,0|3,0,0]=4
11  B9R1.2  CC1=CC(NN)=CC=C1 7665AB [2,0,0,0,0,0|2,0,0]=4
12  B9R1.3  CC1=C(O)C(N)=NC=C1 X3220 [2,0,0,0,0,0|2,0,0]=4
13  B9R1.3  CC1=NC=CC(Br)=C1O 4340AA [2,0,0,0,0,0|2,0,0]=4
14  B9R1.3  OC1=C(Cl)C(Cl)=CC=C1 7597AF [2,0,0,0,0,0|2,0,0]=4
15  B9R1.3  OC1=C(Cl)C=CC=C1Cl 7599AF [2,0,0,0,0,0|2,0,0]=4
16  B11R1.72  COC1=C(Cl)C=CC(Cl)=C1Cl X4916 [1,1,0,0,0,0|2,0,0]=4
17  B11R1.72  COC1=C(F)C(Cl)=CC=C1Br Z1246 [1,1,0,0,0,0|2,0,0]=4
18  B11R1.72  COC1=C(F)C(F)=CC=C1O Z0234 [1,1,0,0,0,0|2,0,0]=4
19  B11R1.72  COC1=C(F)C=CC(F)=C1F X4269 [1,1,0,0,0,0|2,0,0]=4
20  B11R1.159  CC1=C(S)C(C(C)C)=CC=C1 Z2574 [1,1,0,0,0,0|1,1,0]=4
21  B11R1.278  COC1=C(F)C(C)=C(N)C=C1 2784AA [1,1,0,0,0,0|1,0,0]=3
22  B11R1.9  C#CC1=CC(Cl)=CC(OC)=C1 8120AB [1,1,0,0,0,0|1,0,1]=4
23  B11R1.9  CCC1=CC(C)=CC(CC)=C1 1514AL [1,1,0,0,0,0|2,0,0]=4
24  B11R1.9  COC1=NC(OC)=NC(S)=C1 7687AF [1,1,0,0,0,0|2,0,0]=4
25  B11R1.189  CSC1=CC(CCN)=CC=C1 Y7193 [1,1,0,0,0,0|1,1,0]=4
26  B11R1.280  CNC1=C(N)C=CC(OC)=N1 2891AC [1,1,0,0,0,0|2,0,0]=4
27  B11R1.280  COC1=NC=C(Br)C(SC)=C1 Z0621 [1,1,0,0,0,0|1,1,0]=4
28  B13R1.433  COC1=CC(CN)=CC(OC)=C1O X6955 [0,2,0,0,0,0|0,0,0]=2
29  B13R1.641  COC1=C(F)C(CC(C)=O)=CC=C1 9406AH [0,2,0,0,0,0|2,0,0]=4
30  B13R1.645  COC1=CC=CC(S(=O)(=O)[O-])=C1O 5133AF [0,2,0,0,0,0|1,1,0]=4
31  B13R1.2137  COC1=CC=CC([N+](=O)[O-])=C1CO 8516AH [0,2,0,0,0,0|2,0,0]=4
32  B13R1.2277  COC1=C(C=O)C(OC)=C(Br)C=C1 9910AL [0,2,0,0,0,0|0,0,1]=3
33  B13R1.2277  COC1=C(OC)C(CO)=C(F)C=C1 Z1259 [0,2,0,0,0,0|2,0,0]=4
34  B13R1.2356  COC1=CC=CC(OC)=C1C(=N)N 1415AJ [0,2,0,0,0,0|1,0,0]=3
35  B13R1.2356  COC1=NC=CC(SC)=C1B(O)O Z1361 [0,2,0,0,0,0|1,1,0]=4
36  B11R2.106  IC1=C2OCCC2=CC=C1 Y8502 [1,0,0,1,0,0|2,0,0]=4
37  B13R2.292  CNCC1=C2OCCC2=CC=C1 Y8967 [0,1,0,1,0,0|2,0,0]=4
38  B13R2.581  COC1=C2CC(N)CC2=CC=C1 1898AC [0,1,0,1,0,0|2,0,0]=4
39  B13R2.581  COC1=C2NC(=S)OC2=CC=C1 6195AJ [0,1,0,1,0,0|1,0,1]=4
40  B9R1.21  COC1=CC=C(OC)O1 9364AJ [1,0,0,0,1,0|1,0,0]=3