0 B13R1.388 CCOC1=CC(S)=C(OCC)C=C1 6843 [0,0,0,0,0,0|1,1,1]=3 1 B12R1.114 CCOC1=C(Br)C=C(C=O)C=C1 2640 [1,0,0,0,0,0|2,0,0]=3 2 B12R1.116 CCOC1=CC=C(CC#N)C=C1 4163 [1,0,0,0,0,0|1,0,2]=4 3 B12R1.116 CCOC1=CC=C(N=C=O)C=C1 3178 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.116 CCOC1=CC=C(N=C=S)C=C1 9560 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.288 COC1=C(O)C=C(CCN)C=C1 19594 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.81 CCCC1=C(O)C=C(O)C=C1 25562 [2,0,0,0,0,0|2,0,0]=4 7 B11R1.81 CCOC1=C(Cl)C=C(Cl)C=C1 9513 [2,0,0,0,0,0|2,0,0]=4 8 B11R1.81 CCOC1=C(Cl)C=C(F)C=C1 3155 [2,0,0,0,0,0|2,0,0]=4 9 B11R1.81 CCOC1=C(F)C=C(Cl)C=C1 3163 [2,0,0,0,0,0|2,0,0]=4 10 B11R1.81 CCOC1=C(N)C=C(N)C=C1 3168 [2,0,0,0,0,0|2,0,0]=4 11 B11R1.83 CCOC1=CC=C(C=O)C=C1 13134 [2,0,0,0,0,0|1,0,0]=3 12 B11R1.83 CCOC1=CC=C(CC)C=C1 3172 [2,0,0,0,0,0|0,0,1]=3 13 B11R1.83 CCOC1=CC=C(CCl)C=C1 17445 [2,0,0,0,0,0|1,0,1]=4 14 B11R1.83 CCOC1=CC=C(CO)C=C1 27464 [2,0,0,0,0,0|1,0,1]=4 15 B11R1.83 CNCC1=CC=C(OC)C=C1 10499 [2,0,0,0,0,0|1,0,1]=4 16 B11R1.83 COC1=CC=C(CC=O)C=C1 25207 [2,0,0,0,0,0|1,0,1]=4 17 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 35689 [2,0,0,0,0,0|0,0,0]=2 18 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 2643 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.279 COC1=C(C)C=C(C=O)C=C1 14879 [2,0,0,0,0,0|2,0,0]=4 20 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 2638 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.279 COC1=C(F)C=C(C=O)C=C1 1448 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.279 COC1=C(N)C=C(C=O)C=C1 19765 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.279 COC1=C(O)C=C(C#N)C=C1 4806 [2,0,0,0,0,0|1,0,1]=4 24 B11R1.279 COC1=C(O)C=C(C=O)C=C1 7770 [2,0,0,0,0,0|1,0,0]=3 25 B11R1.279 COC1=C(O)C=C(CO)C=C1 15050 [2,0,0,0,0,0|1,0,1]=4 26 B11R1.279 COC1=CC(Br)=C(OC)C=C1 19785 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.279 COC1=CC(C)=C(OC)C=C1 4543 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.279 COC1=CC(F)=C(OC)C=C1 3050 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.279 COC1=CC(N)=C(OC)C=C1 25396 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.279 COC1=CC(O)=C(OC)C=C1 27372 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.279 COC1=CC(S)=C(OC)C=C1 6852 [2,0,0,0,0,0|1,1,0]=4 32 B13R1.653 O=CC1=CC(O)=C(OC(F)F)C=C1 24181 [1,1,0,0,0,0|2,0,0]=4 33 B13R1.1249 CCOC1=C(OC)C=C(C=O)C=C1 2648 [1,1,0,0,0,0|1,0,0]=3 34 B13R1.1249 CCOC1=C(OC)C=C(OC)C=C1 3045 [1,1,0,0,0,0|1,0,0]=3 35 B13R1.139 CCOC1=CC=C(C(=O)C=O)C=C1 12346 [1,1,0,0,0,0|1,0,0]=3 36 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 35817 [1,1,0,0,0,0|1,0,0]=3 37 B13R1.35 COC1=C(C)C=C(CC(C)=O)C=C1 24859 [1,1,0,0,0,0|1,0,1]=4 38 B13R1.35 COC1=C(N)C=C(NC(C)=O)C=C1 25482 [1,1,0,0,0,0|2,0,0]=4 39 B13R1.35 COC1=C(O)C=C(CC(=O)O)C=C1 3998 [1,1,0,0,0,0|1,0,1]=4 40 B13R1.386 CCOC1=CC(OC)=C(OC)C=C1 3044 [1,1,0,0,0,0|1,0,1]=4 41 B13R1.3088 CCC(=O)C1=CC(F)=C(OC)C=C1 31236 [1,1,0,0,0,0|1,0,1]=4 42 B13R1.3088 COC(=O)C1=CC(F)=C(OC)C=C1 3569 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.3088 COC(=O)C1=CC(I)=C(OC)C=C1 30720 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.3088 COC(=O)C1=CC(N)=C(OC)C=C1 2033 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.3088 COC(=O)C1=CC(O)=C(OC)C=C1 27190 [1,1,0,0,0,0|1,0,0]=3 46 B13R1.3088 COC(=O)C1=CN=C(OC)C(O)=C1 34470 [1,1,0,0,0,0|2,0,0]=4 47 B15R1.992 COC(=O)C1=CC(O)=C(OC(F)F)C=C1 28196 [0,2,0,0,0,0|2,0,0]=4 48 B13R2.57 C#[N+]C1=CC2=C(C=C1)OCCO2 16170 [1,0,0,1,0,0|1,0,1]=4 49 B13R2.57 COC1=CC2=C(C=C1)OCCN2 22544 [1,0,0,1,0,0|2,0,0]=4 50 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 14513 [1,0,0,1,0,0|1,0,0]=3 51 B13R2.57 O=CC1=CC2=C(C=N1)OCCO2 17718 [1,0,0,1,0,0|2,0,0]=4 52 B13R2.57 O=CC1=CN=C2OCCOC2=C1 26821 [1,0,0,1,0,0|2,0,0]=4 53 B13R2.449 CCOC1=CC=C2NC=CC2=C1 8553 [1,0,0,1,0,0|1,0,1]=4 54 B13R2.599 COC1=C(Cl)C=C2C=CNC2=C1 19944 [1,0,0,1,0,0|2,0,0]=4 55 B13R2.599 COC1=C(O)C=C2C=NNC2=C1 18030 [1,0,0,1,0,0|2,0,0]=4 56 B15R2.1668 O=C(O)CC1=CC2=C(C=C1)OCCO2 17716 [0,1,0,1,0,0|1,0,1]=4 57 B15R2.1601 COC(=O)C1=CC2=C(C=C1)NCCO2 20126 [0,1,0,1,0,0|2,0,0]=4 58 B15R2.1601 COC(=O)C1=CC2=C(C=N1)OCCO2 17717 [0,1,0,1,0,0|2,0,0]=4