0 B13R2.449 BrCCC1=CC2=C(C=C1)OCC2 034300 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 002596 [0,0,0,0,0,0|1,0,1]=2 2 B13R2.449 NCCC1=CC=C2OCOC2=C1 078996 [0,0,0,0,0,0|1,0,1]=2 3 B13R2.449 O=C=NC1=CC=C2OCOC2=C1 307348 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.449 S=C=NC1=CC2=C(C=C1)OCO2 009530 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.44 ClCC1=CC=C2OCOC2=C1 018836 [1,0,0,0,0,0|1,0,0]=2 6 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 068949 [1,0,0,0,0,0|1,0,1]=3 7 B12R2.44 N#CC1=CC=C2OCCC2=C1 017492 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.44 NCC1=CC=C2OCOC2=C1 008877 [1,0,0,0,0,0|1,0,0]=2 9 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 005899 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.44 OCC1=CC2=C(C=C1)OCO2 008829 [1,0,0,0,0,0|1,0,0]=2 11 B14R2.966 NNC(=O)C1=CC=C2OCOC2=C1 018835 [0,1,0,0,0,0|2,0,1]=4 12 B14R2.991 S=C=NCC1=CC2=C(C=C1)OCO2 009529 [0,1,0,0,0,0|1,0,1]=3 13 B14R2.1008 NC(=S)NC1=CC=C2OCOC2=C1 018842 [0,1,0,0,0,0|2,0,0]=3 14 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 023401 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 018839 [0,1,0,0,0,0|1,0,0]=2 16 B12R1.116 CCOC1=CC=C(CC#N)C=C1 002561 [0,0,1,0,0,0|2,0,1]=4 17 B12R1.116 CCOC1=CC=C(CCN)C=C1 138602 [0,0,1,0,0,0|2,0,1]=4 18 B12R1.286 C=CCC1=CC(OC)=C(O)C=C1 050295 [0,0,1,0,0,0|0,0,0]=1 19 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 146405 [0,0,1,0,0,0|1,0,1]=3 20 B12R1.288 COC1=C(Br)C=C(CC#N)C=C1 018290 [0,0,1,0,0,0|2,0,1]=4 21 B12R1.288 COC1=C(Br)C=C(CCN)C=C1 050727 [0,0,1,0,0,0|2,0,1]=4 22 B12R1.288 COC1=C(Br)C=C(CCO)C=C1 104711 [0,0,1,0,0,0|2,0,1]=4 23 B14R2.112 O=C=NC1=CC2=C(C=C1)OCCO2 365580 [0,0,0,0,0,1|2,0,1]=4 24 B11R1.83 C=CCC1=CC=C(OC)C=C1 022327 [1,0,1,0,0,0|0,0,0]=2 25 B11R1.83 CCOC1=CC=C(C=O)C=C1 078991 [1,0,1,0,0,0|2,0,0]=4 26 B11R1.83 CCOC1=CC=C(CO)C=C1 459231 [1,0,1,0,0,0|2,0,0]=4 27 B11R1.83 CNCC1=CC=C(OC)C=C1 042366 [1,0,1,0,0,0|1,0,1]=4 28 B11R1.83 COC1=CC=C(CC#N)C=C1 048243 [1,0,1,0,0,0|1,0,1]=4 29 B11R1.83 COC1=CC=C(CCCl)C=C1 330010 [1,0,1,0,0,0|1,0,1]=4 30 B11R1.83 COC1=CC=C(CCN)C=C1 008885 [1,0,1,0,0,0|1,0,1]=4 31 B11R1.83 COC1=CC=C(CCO)C=C1 209105 [1,0,1,0,0,0|1,0,1]=4 32 B11R1.83 COC1=CC=C(CNN)C=C1 061213 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.83 COC1=CC=C(CON)C=C1 044098 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.83 COC1=CC=C(NC=O)C=C1 329772 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 209027 [1,0,1,0,0,0|0,0,2]=4 36 B11R1.189 COC1=CC(CC#N)=CC=C1 018797 [1,0,1,0,0,0|1,0,1]=4 37 B11R1.189 COC1=CC(CCBr)=CC=C1 485630 [1,0,1,0,0,0|1,0,1]=4 38 B11R1.189 COC1=CC=CC(CCN)=C1 008884 [1,0,1,0,0,0|1,0,1]=4 39 B11R1.280 COC1=C(C)C=CC(C=O)=C1 065168 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 075245 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.280 COC1=C(F)C=CC(C=O)=C1 013012 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.280 COC1=C(O)C=CC(CN)=C1 049826 [1,0,1,0,0,0|1,0,0]=3 43 B11R1.280 COC1=C(O)C=CC(CO)=C1 358167 [1,0,1,0,0,0|1,0,0]=3 44 B11R1.280 COC1=CC(C=O)=CC=C1O 032468 [1,0,1,0,0,0|1,0,0]=3 45 B11R1.280 COC1=CC(CBr)=CC=C1Cl 243252 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.280 COC1=CC(CN)=CC=C1F 013343 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.280 COC1=CC=C(O)C(OC)=C1 077720 [1,0,1,0,0,0|1,0,1]=4 48 B11R1.279 CCC1=CC(Br)=C(OC)C=C1 448502 [1,0,1,0,0,0|1,0,1]=4 49 B11R1.279 COC1=C(C)C=C(C=O)C=C1 013628 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 075243 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 015409 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.279 COC1=C(F)C=C(C=O)C=C1 013015 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.279 COC1=C(F)C=C(CBr)C=C1 013839 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.279 COC1=C(O)C=C(C=O)C=C1 011790 [1,0,1,0,0,0|1,0,0]=3 55 B11R1.279 COC1=CC=C(C=O)C=C1I 015239 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.279 COC1=CC=C(CBr)C=C1Cl 211587 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.279 COC1=CC=C(CN)C=C1Cl 049145 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.279 COC1=CC=C(CN)C=C1F 013341 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.279 COC1=CC=C(CN)C=C1O 224594 [1,0,1,0,0,0|1,0,0]=3 60 B11R1.279 COC1=CC=C(CO)C=C1F 013838 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.279 COC1=CC=C(CO)C=C1O 078847 [1,0,1,0,0,0|1,0,0]=3 62 B11R2.36 BrC1=CC2=C(C=C1)OCO2 002997 [2,0,0,0,0,0|1,0,0]=3 63 B11R2.36 BrC1=CC=C2OCCC2=C1 017488 [2,0,0,0,0,0|2,0,0]=4 64 B11R2.36 CC1=CC2=C(C=C1)NCC2 208813 [2,0,0,0,0,0|2,0,0]=4 65 B11R2.36 ClC1=CC2=C(C=C1)OCO2 018400 [2,0,0,0,0,0|1,0,0]=3 66 B11R2.36 IC1=CC2=C(C=C1)OCO2 018746 [2,0,0,0,0,0|1,0,0]=3 67 B11R2.36 IC1=CC=C2OCCC2=C1 017491 [2,0,0,0,0,0|2,0,0]=4 68 B11R2.36 NC1=CC2=C(C=C1)OCO2 033052 [2,0,0,0,0,0|1,0,0]=3 69 B11R2.36 OC1=CC2=C(C=C1)OCO2 358234 [2,0,0,0,0,0|1,0,0]=3 70 B13R1.49 CCC(O)C1=CC=C(O)C(OC)=C1 375163 [0,1,1,0,0,0|0,0,2]=4 71 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 002580 [0,1,1,0,0,0|1,0,0]=3 72 B13R1.386 C=CCC1=CC=C(OC)C(OC)=C1 022318 [0,1,1,0,0,0|0,0,0]=2 73 B13R1.386 COC1=CC=C(CC#N)C=C1OC 076751 [0,1,1,0,0,0|1,0,1]=4 74 B13R1.386 COC1=CC=C(CCO)C=C1OC 214905 [0,1,1,0,0,0|1,0,1]=4 75 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 103620 [0,1,1,0,0,0|0,0,1]=3 76 B13R1.35 COC1=C(Br)C=C(CC(=O)O)C=C1 112400 [0,1,1,0,0,0|2,0,0]=4 77 B13R1.35 COC1=C(C)C=C(CC(=O)O)C=C1 018791 [0,1,1,0,0,0|2,0,0]=4 78 B13R1.35 COC1=C(O)C=C(CC(=O)O)C=C1 002579 [0,1,1,0,0,0|1,0,0]=3 79 B13R1.35 COC1=CC=C(CC(=O)O)C=C1F 021901 [0,1,1,0,0,0|2,0,0]=4 80 B13R2.430 CC(=O)C1=CC=C2OCCC2=C1 021797 [1,1,0,0,0,0|1,0,1]=4 81 B13R2.430 CC(N)C1=CC=C2OCCC2=C1 080115 [1,1,0,0,0,0|1,0,1]=4 82 B13R2.430 NC(=S)C1=CC2=C(C=C1)OCO2 356264 [1,1,0,0,0,0|1,0,0]=3 83 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 022643 [1,1,0,0,0,0|1,0,0]=3 84 B13R2.430 O=[N+]([O-])C1=CC=C2OCOC2=C1 220387 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.430 OB(O)C1=CC2=C(C=C1)OCO2 011004 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.599 O=CC1=CC2=C(C=C1Br)OCO2 011589 [1,1,0,0,0,0|1,0,0]=3 87 B15R2.4239 O=C(O)C(O)C1=CC2=C(C=C1)OCO2 342225 [0,2,0,0,0,0|1,0,0]=3 88 B15R2.4343 CC(C=O)CC1=CC=C2OCOC2=C1 225168 [0,2,0,0,0,0|0,0,1]=3 89 B15R2.4343 NNC(=S)NC1=CC=C2OCOC2=C1 018841 [0,2,0,0,0,0|2,0,0]=4 90 B15R2.7688 N=C(N)NCC1=CC=C2OCOC2=C1 030051 [0,2,0,0,0,0|1,0,0]=3 91 B15R2.7688 O=C(O)CCC1=CC=C2OCOC2=C1 018840 [0,2,0,0,0,0|0,0,1]=3 92 B15R2.7688 O=C(O)\C=C\C1=CC2=C(C=C1)OCC2 023584 [0,2,0,0,0,0|1,0,1]=4 93 B15R2.7688 O=C(O)\C=C\C1=CC2=C(C=C1)OCO2 019262 [0,2,0,0,0,0|0,0,1]=3 94 B13R2.57 Br[Mg]C1=CC2=C(C=C1)OCCO2 214253 [1,0,0,0,0,1|2,0,0]=4 95 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 065323 [1,0,0,0,0,1|1,0,0]=3