0  B12R1.286  COC1=C(O)C=CC(CC#N)=C1 4034699 [0,0,0,0,0,0|1,0,2]=3
1  B11R1.189  CNCC1=CC(OC)=CC=C1 4004535 [1,0,0,0,0,0|1,0,1]=3
2  B11R1.189  CNCC1=CC(OC)=CC=C1 4087815 [1,0,0,0,0,0|1,0,1]=3
3  B11R1.189  CNCC1=CC(SC)=CC=C1 4002913 [1,0,0,0,0,0|1,1,1]=4
4  B11R1.189  CNCC1=NC=CC(OC)=C1 4088040 [1,0,0,0,0,0|2,0,1]=4
5  B11R1.189  COC1=CC(CNN)=CC=C1 4015018 [1,0,0,0,0,0|2,0,1]=4
6  B11R1.192  CCNC1=CC=C(Br)C(C)=C1 4029408 [1,0,0,0,0,0|2,0,1]=4
7  B13R1.386  CNCC1=CC(OC)=C(OC)C=C1 4004512 [0,1,0,0,0,0|1,0,1]=3
8  B13R1.386  COC1=CC=C(CNN)C=C1OC 4110605 [0,1,0,0,0,0|2,0,1]=4
9  B13R2.449  CNCC1=CC2=C(C=C1)OCO2 4015017 [0,0,0,1,0,0|1,0,1]=3
10  B13R2.449  NNCC1=CC=C2OCOC2=C1 4014997 [0,0,0,1,0,0|2,0,1]=4
11  B13R2.449  S=C=NC1=CC2=C(C=C1)OCO2 3005197 [0,0,0,1,0,0|2,0,1]=4
12  B10R1.10  CNCC1=CC=CC(O)=C1 4028180 [2,0,0,0,0,0|1,0,1]=4
13  B10R1.172  COC1=NC=CC(C=O)=C1 4029564 [2,0,0,0,0,0|2,0,0]=4
14  B10R1.172  CSC1=CC=CC(C=O)=C1 4002911 [2,0,0,0,0,0|1,1,0]=4
15  B10R1.176  CCC1=CC(N)=C(O)C=C1 4034479 [2,0,0,0,0,0|1,0,1]=4
16  B10R1.176  COC1=CC(N)=C(O)C=C1 4032274 [2,0,0,0,0,0|2,0,0]=4
17  B10R1.176  COC1=CC(N)=C(O)C=C1 4088485 [2,0,0,0,0,0|2,0,0]=4
18  B10R1.176  O=CC1=CC=C(O)C(F)=C1 4303011 [2,0,0,0,0,0|2,0,0]=4
19  B10R1.30  CCC1=CC(F)=CC=C1O 4031684 [2,0,0,0,0,0|2,0,0]=4
20  B10R1.30  CCC1=NC(C)=CC=C1O 5170366 [2,0,0,0,0,0|2,0,0]=4
21  B10R1.30  COC1=C(C)C=CC(N)=C1 4030541 [2,0,0,0,0,0|2,0,0]=4
22  B10R1.30  COC1=CC(N)=CC=C1O 4030053 [2,0,0,0,0,0|1,0,0]=3
23  B12R1.278  CCOC1=CC=CC(CNC)=C1 4089403 [1,1,0,0,0,0|1,0,1]=4
24  B12R1.278  CCOC1=CC=CC(CNC)=C1 9070811 [1,1,0,0,0,0|1,0,1]=4
25  B12R1.382  CCNCC1=CC(OC)=CC=C1 4090705 [1,1,0,0,0,0|0,0,2]=4
26  B12R1.382  CCNCC1=CC(OC)=CC=C1 5545112 [1,1,0,0,0,0|0,0,2]=4
27  B12R1.382  COC1=CC(CCCN)=CC=C1 4101633 [1,1,0,0,0,0|0,0,2]=4
28  B12R1.382  COC1=CC(OCCCl)=CC=C1 9071216 [1,1,0,0,0,0|1,0,1]=4
29  B12R1.382  COC1=CC=CC(OCCBr)=C1 5471033 [1,1,0,0,0,0|1,0,1]=4
30  B12R1.435  CNC(C)C1=CC(OC)=CC=C1 4004540 [1,1,0,0,0,0|1,0,1]=4
31  B12R1.435  COC1=CC(C(=O)NN)=CC=C1 4045138 [1,1,0,0,0,0|2,0,0]=4
32  B12R1.19  CC(=O)NC1=CC=C(N)C(C)=C1 4028746 [1,1,0,0,0,0|2,0,0]=4
33  B12R1.288  CNCC1=CC(O)=C(OC)C=C1 9070925 [1,1,0,0,0,0|1,0,1]=4
34  B12R1.367  CCC(=O)C1=CC=C(C)C(C)=C1 4303058 [1,1,0,0,0,0|1,0,1]=4
35  B12R1.367  CNC(=O)C1=CC(C)=C(N)C=C1 4028100 [1,1,0,0,0,0|2,0,0]=4
36  B12R1.449  COC1=CC(C=O)=C(O)C=C1O 4027897 [1,1,0,0,0,0|1,0,0]=3
37  B14R1.1864  CCC(N)C1=CC(OC)=C(OC)C=C1 4032810 [0,2,0,0,0,0|0,0,2]=4
38  B14R1.1864  CCC(N)C1=CC(OC)=C(OC)C=C1 4090843 [0,2,0,0,0,0|0,0,2]=4
39  B14R1.3405  COC1=CC(NC(=O)CCl)=CC=C1Cl 7442091 [0,2,0,0,0,0|2,0,0]=4
40  B14R1.3651  COC1=CC=C(CC(=N)N)C=C1OC 4012624 [0,2,0,0,0,0|1,0,1]=4
41  B14R1.3651  COC1=CC=C(CC(=N)N)C=C1OC 4090941 [0,2,0,0,0,0|1,0,1]=4
42  B14R1.6787  CCOC1=CC(CNC)=CC=C1OC 4090546 [0,2,0,0,0,0|1,0,1]=4
43  B14R1.6787  CCOC1=CC(CNC)=CC=C1OC 5563263 [0,2,0,0,0,0|1,0,1]=4
44  B14R1.793  COC1=CC=C(CCCN)C=C1OC 4001946 [0,2,0,0,0,0|0,0,2]=4
45  B12R2.44  COC1=CC=C2C=CNC2=C1 4036833 [1,0,0,1,0,0|1,0,1]=4
46  B12R2.315  COC1=C2C=CNC2=CC=C1 4036775 [1,0,0,1,0,0|1,0,1]=4