0 B13R2.449 BrCCC1=CC2=C(C=C1)OCC2 DY515847 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.449 Br\C=C\C1=CC2=C(C=C1)OCO2 DY751033 [0,0,0,0,0,0|1,0,1]=2 2 B13R2.449 CNCC1=CC2=C(C=C1)OCO2 DY610535 [0,0,0,0,0,0|1,0,1]=2 3 B13R2.449 COCC1=CC=C2NCCC2=C1 DY795249 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.449 ClCCC1=CC2=C(C=C1)OCC2 DY581679 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 DY40784 [0,0,0,0,0,0|1,0,1]=2 6 B12R2.44 ClCC1=CC2=C(C=C1)OCC2 DY796377 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.44 NCC1=CC2=C(C=C1)OC=N2 DY578811 [1,0,0,0,0,0|2,0,1]=4 8 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 NO15841 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 NO21474 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 NO16843 [1,0,0,0,0,0|2,0,1]=4 11 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 NO21622 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.44 O=CC1=CC=C2CCCC2=C1 DY547221 [1,0,0,0,0,0|3,0,0]=4 13 B14R2.991 CCNCC1=CC2=C(C=C1)OCO2 DY684091 [0,1,0,0,0,0|0,0,2]=3 14 B14R2.991 COCOC1=CC2=C(C=C1)OCO2 DY506885 [0,1,0,0,0,0|1,0,1]=3 15 B14R2.991 N#CCOC1=CC2=C(C=C1)OCO2 DY604881 [0,1,0,0,0,0|1,0,1]=3 16 B14R2.991 OCCNC1=CC2=C(C=C1)OCO2 DY671883 [0,1,0,0,0,0|1,0,1]=3 17 B14R2.991 OCCNC1=CC2=C(C=C1)OCO2 NO20819 [0,1,0,0,0,0|1,0,1]=3 18 B14R2.1008 O=C(O)Cc1ccc2c(c1)OCO2 DY40183 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.278 CCOC1=CC=CC(CNC)=C1 DY614616 [0,0,1,0,0,0|2,0,1]=4 20 B12R1.286 COC1=C(Br)C=CC(CC#N)=C1 DY584398 [0,0,1,0,0,0|2,0,1]=4 21 B12R1.286 COC1=C(C)C=CC(CC#N)=C1 NO22339 [0,0,1,0,0,0|2,0,1]=4 22 B12R1.286 C\C=C\c1ccc(O)c(OC)c1 DY580665 [0,0,1,0,0,0|0,0,2]=3 23 B12R1.288 COC1=C(C)C=C(CC#N)C=C1 DY585027 [0,0,1,0,0,0|2,0,1]=4 24 B12R1.288 COC1=C(F)C=C(CC#N)C=C1 NO14302 [0,0,1,0,0,0|2,0,1]=4 25 B12R1.288 COCC1=CC(Br)=C(OC)C=C1 DY451636 [0,0,1,0,0,0|2,0,1]=4 26 B14R3.3015 C1=CC2=C(C=C1C3CN3)OCO2 DY743989 [0,0,0,1,0,0|1,0,1]=3 27 B14R3.3022 C1=C2OCOC2=CC3=C1CNC3 DY678435 [0,0,0,1,0,0|1,0,1]=3 28 B14R3.3022 C1=NNC2=CC3=C(C=C12)OCO3 DY670480 [0,0,0,1,0,0|2,0,0]=3 29 B14R3.3046 C1=C2CNCC2=C3OCOC3=C1 DY680096 [0,0,0,1,0,0|1,0,1]=3 30 B14R2.112 C=CCC1=CC2=CC=CC=C2C=C1 DY763349 [0,0,0,0,0,1|2,0,1]=4 31 B11R1.83 C#CCC1=CC=C(OC)C=C1 DY519381 [1,0,1,0,0,0|0,0,2]=4 32 B11R1.83 C=CCC1=CC=C(OC)C=C1 DY521667 [1,0,1,0,0,0|0,0,0]=2 33 B11R1.83 CCCC1=CC=C(CO)C=C1 DY584401 [1,0,1,0,0,0|0,0,2]=4 34 B11R1.83 CCOC1=CC=C(C=O)C=C1 NO22818 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.83 CCOC1=CC=C(CO)C=C1 NO22820 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.83 CNCC1=CC=C(OC)C=C1 NO18429 [1,0,1,0,0,0|1,0,1]=4 37 B11R1.83 COC1=CC=C(CC#N)C=C1 NO13459 [1,0,1,0,0,0|1,0,1]=4 38 B11R1.83 COC1=CC=C(CNN)C=C1 NO20199 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.83 COC1=CC=C(CON)C=C1 NO20566 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 NO10928 [1,0,1,0,0,0|0,0,2]=4 41 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 NO10929 [1,0,1,0,0,0|0,0,2]=4 42 B11R1.83 O=CC1=CC=C(CCO)C=C1 NO16581 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.189 CCOC1=CC=CC(C=O)=C1 DY433437 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.189 COC1=CC=CC(CC#N)=C1 NO11040 [1,0,1,0,0,0|1,0,1]=4 45 B11R1.189 COC1=CC=CC(CCN)=C1 NO13916 [1,0,1,0,0,0|1,0,1]=4 46 B11R1.189 COC1=CC=CC(CCO)=C1 NO22342 [1,0,1,0,0,0|1,0,1]=4 47 B11R1.189 NCC1=CC=CC(CCO)=C1 NO17053 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.192 CNCC1=CC=C(O)C(O)=C1 DY502761 [1,0,1,0,0,0|1,0,1]=4 49 B11R1.192 NCCC1=CC=C(O)C(O)=C1 NO15345 [1,0,1,0,0,0|1,0,1]=4 50 B11R1.192 O=CCC1=CC(O)=C(O)C=C1 DY745117 [1,0,1,0,0,0|1,0,0]=3 51 B11R1.280 C=CC1=CC(OC)=C(O)C=C1 NO21640 [1,0,1,0,0,0|0,0,0]=2 52 B11R1.280 COC1=C(Br)C=CC(CO)=C1 NO21375 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.280 COC1=C(C)C=CC(C=O)=C1 NO21938 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 NO15135 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 NO17422 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.280 COC1=C(O)C=CC(C=O)=C1 NO13553 [1,0,1,0,0,0|1,0,0]=3 57 B11R1.280 COC1=C(O)C=CC(CN)=C1 NO22873 [1,0,1,0,0,0|1,0,0]=3 58 B11R1.280 COC1=CC(OC)=C(O)C=C1 NO21112 [1,0,1,0,0,0|1,0,1]=4 59 B11R1.279 COC1=C(C)C=C(C=O)C=C1 NO10892 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 NO22687 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 DY746923 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 NO20430 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.279 COC1=C(O)C=C(C#N)C=C1 NO14799 [1,0,1,0,0,0|1,0,1]=4 64 B11R1.279 COC1=C(O)C=C(C=O)C=C1 NO15324 [1,0,1,0,0,0|1,0,0]=3 65 B11R1.279 COC1=CC(O)=C(OC)C=C1 NO21149 [1,0,1,0,0,0|1,0,1]=4 66 B11R2.36 BrC1=CC2=C(C=C1)OCC2 DY20389 [2,0,0,0,0,0|2,0,0]=4 67 B11R2.36 Brc1ccc2c(c1)OCO2 NO19789 [2,0,0,0,0,0|1,0,0]=3 68 B11R2.36 CC1=CC2=C(C=C1)OC=C2 DY441161 [2,0,0,0,0,0|1,0,1]=4 69 B11R2.36 NC1=CC2=C(C=C1)CCO2 DY561471 [2,0,0,0,0,0|2,0,0]=4 70 B11R2.36 NC1=CC2=C(C=C1)OCO2 NO20315 [2,0,0,0,0,0|1,0,0]=3 71 B11R2.36 OC1=CC2=C(C=C1)CCO2 NO16031 [2,0,0,0,0,0|2,0,0]=4 72 B13R1.52 COC1=C(C)C=CC(CC(=O)O)=C1 DY584674 [0,1,1,0,0,0|2,0,0]=4 73 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 NO19593 [0,1,1,0,0,0|2,0,0]=4 74 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 NO16297 [0,1,1,0,0,0|1,0,1]=4 75 B13R1.386 COC1=C(OC)C=C(CC=O)C=C1 NO20165 [0,1,1,0,0,0|1,0,0]=3 76 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 DY460524 [0,1,1,0,0,0|1,0,1]=4 77 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 DY10303 [0,1,1,0,0,0|1,0,1]=4 78 B13R1.575 COC1=C(O)C=CC(\C=C\CO)=C1 DY555423 [0,1,1,0,0,0|0,0,2]=4 79 B13R1.4030 COC1=CC(CC#N)=CC(Br)=C1O DY798297 [0,1,1,0,0,0|1,0,1]=4 80 B13R1.35 COC1=C(Br)C=C(CC(=O)O)C=C1 DY789447 [0,1,1,0,0,0|2,0,0]=4 81 B13R1.35 COC1=C(C)C=C(CC(=O)O)C=C1 NO11122 [0,1,1,0,0,0|2,0,0]=4 82 B13R1.577 COc1ccc(CCC=O)cc1F DY503493 [0,1,1,0,0,0|1,0,1]=4 83 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCC2 DY579099 [1,1,0,0,0,0|1,0,1]=4 84 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCO2 DY681816 [1,1,0,0,0,0|1,0,0]=3 85 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)OCC2 DY751321 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.430 O=C(O)C1=CN=C2OCOC2=C1 DY585310 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.430 OB(O)C1=CC2=C(C=C1)OCO2 NO18560 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.599 CC1=CC2=C(C=C1CCl)OCO2 DY509228 [1,1,0,0,0,0|1,0,0]=3 89 B13R2.2121 CC1CC2=C(C=CC(C=O)=C2)O1 DY559557 [1,1,0,0,0,0|2,0,0]=4 90 B15R2.1668 O=C(O)CC1=CC=C2OCCOC2=N1 DY671109 [0,1,0,0,0,1|2,0,0]=4 91 B15R2.1198 OCC(CO)c1ccc2c(c1)OCO2 DY524313 [0,2,0,0,0,0|1,0,1]=4 92 B15R2.1350 CCCC(O)C1=CC2=C(C=C1)OCO2 DY669843 [0,2,0,0,0,0|0,0,2]=4 93 B15R2.2123 OCCCOC1=CC2=C(C=C1)OCO2 DY674107 [0,2,0,0,0,0|0,0,2]=4 94 B15R2.4343 COC(=O)CC1=CC2=C(C=C1)OCC2 DY751129 [0,2,0,0,0,0|1,0,1]=4 95 B15R2.7688 CC(C)NCC1=CC2=C(C=C1)OCO2 DY608900 [0,2,0,0,0,0|0,0,2]=4 96 B15R2.7688 O=C(O)\C=C\C1=CC2=C(C=C1)OCO2 DY543399 [0,2,0,0,0,0|0,0,1]=3 97 B15R2.16674 N#CCC1=CC2=C(C=C1)OC(F)(F)O2 DY103655 [0,2,0,0,0,0|1,0,1]=4 98 B15R3.43766 O=C1NCC2=CC=C3OCOC3=C12 DY680054 [0,1,0,1,0,0|1,0,0]=3 99 B15R3.677 NC1=NC2=C(C=C3OCOC3=C2)S1 DY557385 [0,1,0,1,0,0|2,0,0]=4 100 B13R2.57 N#CC1=CC2=C(C=C1)OCCO2 DY535731 [1,0,0,0,0,1|1,0,1]=4 101 B13R2.57 NCC1=CC2=C(C=N1)OCCO2 DY668915 [1,0,0,0,0,1|2,0,0]=4 102 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 NO21629 [1,0,0,0,0,1|1,0,0]=3