0 B12R1.78 COC1=C(OC)N=C(C#N)C=C1 8782AC [0,0,0,0,0,0|2,0,1]=3 1 B12R1.78 COC1=CC=C([Mg]Br)C=C1OC 8012AJ [0,0,0,0,0,0|2,0,0]=2 2 B11R1.37 COC1=C(C=O)C=C(I)C=C1 5839AB [1,0,0,0,0,0|3,0,0]=4 3 B11R1.37 COC1=C(CCl)C=CC(F)=C1 9416AJ [1,0,0,0,0,0|3,0,0]=4 4 B11R1.37 COC1=C(CO)C=C(Cl)C=C1 1144AL [1,0,0,0,0,0|3,0,0]=4 5 B11R1.37 COC1=CC(Br)=CC=C1NN X5439 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.37 COC1=CC=C(N)C=C1OC W5712 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.279 CSC1=CC=C(C=O)C=C1F Z0284 [1,0,0,0,0,0|1,1,0]=3 8 B11R1.280 C=CC1=CC(C=C)=C(O)C=C1 S159 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.280 CSC1=CC(C=O)=CC=C1C Z0499 [1,0,0,0,0,0|0,1,0]=2 10 B13R1.355 CNCC1=C(OC)C=CC(OC)=C1 1461AB [0,1,0,0,0,0|3,0,0]=4 11 B13R1.386 COC1=C(OC)N=C(\C=N\O)C=C1 9119AC [0,1,0,0,0,0|1,0,1]=3 12 B13R1.1249 COC1=CC=C(CON)C(OC)=C1 0993AB [0,1,0,0,0,0|3,0,0]=4 13 B13R1.2422 COC1=CC=C(C#N)C(Cl)=C1OC 0725AD [0,1,0,0,0,0|1,0,1]=3 14 B13R1.3091 COC1=C([N+]#N)C=CC([N+](=O)[O-])=C1 T273 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.3091 COC1=CC([N+](=O)[O-])=CC=C1[N+]#N X4404 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.3091 COC1=CC=C(B(O)O)C=C1SC Z1529 [0,1,0,0,0,0|1,1,1]=4 17 B13R2.57 COC1=CC2=C(C=C1)OCCN2 6249AE [0,0,0,1,0,0|3,0,0]=4 18 B13R2.57 N#CC1=CC2=C(C=C1)NCCO2 8285AB [0,0,0,1,0,0|2,0,1]=4 19 B10R1.20 CCC1=C(CC)C=CC=C1 1495AL [2,0,0,0,0,0|2,0,0]=4 20 B10R1.20 COC1=CC=CC=C1NN 6140AD [2,0,0,0,0,0|2,0,0]=4 21 B10R1.20 COC1=CN=NC=C1OC 8058AB [2,0,0,0,0,0|2,0,0]=4 22 B10R1.25 COC1=CC=C(N)C=C1N X6229 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.25 COC1=CN=C(F)C=C1C Y3908 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.25 COC1=NC=C(I)C=C1C Z0408 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.30 CNC1=C(O)C=CC(N)=C1 9417AJ [2,0,0,0,0,0|2,0,0]=4 26 B10R1.30 COC1=CC(N)=CC=C1I X6495 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.30 COC1=CC(N)=NC=C1C 1509AJ [2,0,0,0,0,0|2,0,0]=4 28 B10R1.176 C=CC1=CC=C(O)C(O)=C1 9031AB [2,0,0,0,0,0|1,0,0]=3 29 B10R1.176 COC1=CC(C)=C(C)C=C1 6400AB [2,0,0,0,0,0|2,0,0]=4 30 B10R1.176 CSC1=CC=C(C)C(O)=C1 Y3611 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.176 NC1=CC(C=O)=CC=C1Cl Y6396 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.172 COC1=CC(CBr)=CC=C1 B984 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.268 COC1=C(CCN)C=C(Br)C=C1 7003AD [1,1,0,0,0,0|2,0,0]=4 34 B12R1.652 COC1=CC=[N+]([O-])C(C)=C1OC 1304AC [1,1,0,0,0,0|1,0,1]=4 35 B12R1.48 CNC1=C(C)C=C(C(=O)O)C=C1 2341AJ [1,1,0,0,0,0|1,0,0]=3 36 B12R1.48 CSC1=CC=C(C(=O)O)C=C1Cl Y3816 [1,1,0,0,0,0|1,1,0]=4 37 B12R1.48 CSC1=NC=C(C(=O)O)C=C1C Z0137 [1,1,0,0,0,0|1,1,0]=4 38 B12R1.452 CN(C)C1=C(Br)C=C(C=O)C=C1 8257AB [1,1,0,0,0,0|2,0,0]=4 39 B12R1.653 COC1=CC=C(C=O)C(F)=C1O Z0849 [1,1,0,0,0,0|0,0,0]=2 40 B12R1.56 CC(=O)C1=CC=C(O)C(C#N)=C1 5077AB [1,1,0,0,0,0|2,0,0]=4 41 B12R1.56 COC1=C(N)C=CC(C(C)=O)=C1 7565AD [1,1,0,0,0,0|1,0,0]=3 42 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1[O-] 0628AP [1,1,0,0,0,0|1,0,1]=4 43 B12R1.286 COC1=CC(CC=O)=CC=C1O 8365AB [1,1,0,0,0,0|0,0,0]=2 44 B14R1.43 COC1=CC(C(N)=O)=CC=C1B(O)O Z1501 [0,2,0,0,0,0|2,0,0]=4 45 B14R1.577 COC1=C(B(O)O)C(F)=CC(C=O)=C1 Z1348 [0,2,0,0,0,0|2,0,0]=4 46 B14R1.6787 CCOC1=C(OC)C=CC(CC#N)=C1 7818AC [0,2,0,0,0,0|1,0,1]=4 47 B14R1.793 CCCNC1=CC=C(OC)C(OC)=C1 2073AF [0,2,0,0,0,0|1,0,1]=4 48 B14R1.3651 COC1=C(OC)C=C(C[C@@H](C)O)C=C1 8150AA [0,2,0,0,0,0|0,0,2]=4 49 B14R1.6788 CCOC1=C(OC)C=C(CC#N)C=C1 7817AC [0,2,0,0,0,0|1,0,1]=4 50 B14R1.6788 CCOC1=CC=C(CCN)C=C1OC 1678AE [0,2,0,0,0,0|1,0,1]=4 51 B14R1.1851 COC1=C(OC)C=C(B(O)O)C(F)=C1 Z1052 [0,2,0,0,0,0|1,0,1]=4 52 B14R1.1851 COC1=CC(N)=C(C(N)=O)C=C1OC 6800AB [0,2,0,0,0,0|0,0,0]=2 53 B14R1.31 COC1=CC=C(C(N)=O)C=C1B(O)O Y3692 [0,2,0,0,0,0|2,0,0]=4 54 B12R2.44 BrCC1=CC=C2OCOC2=C1 2223AB [1,0,0,1,0,0|1,0,1]=4 55 B12R2.44 Br[Mg]C1=CC2=C(C=C1)OCO2 8008AJ [1,0,0,1,0,0|2,0,0]=4 56 B12R2.44 O=CC1=CC=C2CCNC2=C1 1354AJ [1,0,0,1,0,0|2,0,0]=4 57 B12R2.44 O=CC1=CN=C2OCOC2=C1 9267AH [1,0,0,1,0,0|1,0,0]=3 58 B14R2.112 O=C=NC1=CC2=C(C=C1)OCCC2 Y6764 [0,1,0,1,0,0|1,0,1]=4 59 B14R2.1101 COC1=C2OCOC2=CC(CO)=C1 Z2087 [0,1,0,1,0,0|0,0,2]=4 60 B14R2.1101 COC1=CC(C=O)=CC2=C1OCO2 5957AE [0,1,0,1,0,0|0,0,0]=2 61 B14R2.3274 CC1=C(C)C2=CC(C=O)=CC=C2N1 7622AE [0,1,0,1,0,0|2,0,0]=4