0  B13R2.449  CNCC1=CC2=C(C=C1)OCO2 4015017 [0,0,0,0,0,0|1,0,1]=2
1  B13R2.449  NNCC1=CC=C2OCOC2=C1 4014997 [0,0,0,0,0,0|2,0,0]=2
2  B13R2.449  S=C=NC1=CC2=C(C=C1)OCO2 3005197 [0,0,0,0,0,0|2,0,1]=3
3  B12R2.44  NNC1=CC=C2OCOC2=C1 4003163 [1,0,0,0,0,0|2,0,0]=3
4  B14R2.991  N#CCOC1=CC=C2OCOC2=C1 4028128 [0,1,0,0,0,0|1,0,1]=3
5  B12R1.278  CCOC1=CC=CC(CNC)=C1 4089403 [0,0,1,0,0,0|2,0,1]=4
6  B12R1.278  CCOC1=CC=CC(CNC)=C1 9070811 [0,0,1,0,0,0|2,0,1]=4
7  B12R1.286  COC1=C(O)C=CC(CC#N)=C1 4034699 [0,0,1,0,0,0|1,0,1]=3
8  B12R1.288  CNCC1=CC(O)=C(OC)C=C1 9070925 [0,0,1,0,0,0|1,0,1]=3
9  B11R1.83  COC1=CC=C(CNN)C=C1 4014995 [1,0,1,0,0,0|2,0,0]=4
10  B11R1.189  CCOC1=CC(C=O)=CC=C1 3002619 [1,0,1,0,0,0|2,0,0]=4
11  B11R1.189  CNCC1=CC(OC)=CC=C1 4004535 [1,0,1,0,0,0|1,0,1]=4
12  B11R1.189  CNCC1=CC(OC)=CC=C1 4087815 [1,0,1,0,0,0|1,0,1]=4
13  B11R1.189  COC1=CC(CNN)=CC=C1 4015018 [1,0,1,0,0,0|2,0,0]=4
14  B11R1.279  COC1=C(O)C=C(CO)N=C1 4037173 [1,0,1,0,0,0|2,0,0]=4
15  B11R1.279  COC1=CC=C(C=O)C=C1Cl 6945816 [1,0,1,0,0,0|2,0,0]=4
16  B11R1.279  COC1=CC=C(C=O)C=C1F 4303013 [1,0,1,0,0,0|2,0,0]=4
17  B11R2.36  BrC1=CC2=C(C=C1)CCO2 4070587 [2,0,0,0,0,0|2,0,0]=4
18  B13R1.386  CNCC1=CC(OC)=C(OC)C=C1 4004512 [0,1,1,0,0,0|1,0,1]=4
19  B13R1.386  COC1=CC=C(CNN)C=C1OC 4110605 [0,1,1,0,0,0|2,0,0]=4
20  B13R2.599  CC1=C(C=O)C=C2OCOC2=C1 4012332 [1,1,0,0,0,0|1,0,0]=3
21  B13R2.2121  CC1CC2=CC(C=O)=CC=C2O1 4017150 [1,1,0,0,0,0|2,0,0]=4
22  B13R2.2121  CC1CC2=CC(CN)=CC=C2O1 4017151 [1,1,0,0,0,0|2,0,0]=4
23  B15R2.1601  CNC(C)C1=CC2=C(C=C1)OCCO2 4089083 [0,1,0,0,0,1|1,0,1]=4
24  B15R2.1601  CNC(C)C1=CC2=C(C=C1)OCCO2 4102870 [0,1,0,0,0,1|1,0,1]=4
25  B15R2.7688  CC(C)NCC1=CC2=C(C=C1)OCO2 4088129 [0,2,0,0,0,0|0,0,2]=4
26  B15R2.7688  CC(C)NCC1=CC2=C(C=C1)OCO2 5572794 [0,2,0,0,0,0|0,0,2]=4
27  B13R2.57  NCC1=CC=C2OCCCC2=C1 4017190 [1,0,0,0,0,1|2,0,0]=4
28  B13R2.57  NNC1=CC=C2OCCOC2=C1 4102448 [1,0,0,0,0,1|2,0,0]=4