0 B12R1.78 COC1=C(CCl)C=C(C=O)C=C1 4004227 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.37 COC1=C(C#N)C=C(N)C=C1 4031545 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.37 COC1=CC(C)=CC=C1C=O 4004828 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.37 COC1=CC=C(Cl)C=C1C=O 3014153 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.37 COC1=CC=C(Cl)C=C1NN 4006265 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.37 COC1=CC=C(Cl)C=C1NN 4089436 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.37 COC1=CC=C(O)C=C1C=O 9070716 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.279 COC1=C(O)C=C(CO)N=C1 4037173 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.279 COC1=CC=C(C=O)C=C1Cl 6945816 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.279 COC1=CC=C(C=O)C=C1F 4303013 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.355 CCOC1=CC(CN)=CC=C1OC 9070775 [0,1,0,0,0,0|1,0,1]=3 11 B13R1.355 COCC1=C(OC)C=CC(C=O)=C1 4004180 [0,1,0,0,0,0|0,0,0]=1 12 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 4004512 [0,1,0,0,0,0|1,0,1]=3 13 B13R1.386 COC1=CC=C(CNN)C=C1OC 4110605 [0,1,0,0,0,0|1,0,1]=3 14 B13R1.434 COC1=CC(C=O)=CC(Cl)=C1OC 4004191 [0,1,0,0,0,0|0,0,0]=1 15 B13R1.1249 CCOC1=CC=C(C=O)C=C1CO 4002348 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.1249 CCOC1=CC=C(C=O)C=C1CO 4087763 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.1249 COC1=CC(OC)=C(CCN)C=C1 4005689 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.2200 COC1=CC(Cl)=C(C=O)C=C1OC 4003462 [0,1,0,0,0,0|0,0,0]=1 19 B13R1.2430 COC1=C(B(O)O)C=C(C=O)C=C1 3200977 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.2430 COC1=CC=C(C=O)C=C1C(=O)O 6811073 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.3091 COC1=CC=C(B(O)O)C=C1OC 4200604 [0,1,0,0,0,0|1,0,1]=3 22 B13R2.57 NCC1=CC=C2OCCCC2=C1 4017190 [0,0,0,1,0,0|2,0,1]=4 23 B13R2.57 NNC1=CC=C2OCCOC2=C1 4102448 [0,0,0,1,0,0|2,0,0]=3 24 B13R2.669 CN1C=CC2=CC=C(C=O)C=C21 4026997 [0,0,0,1,0,0|2,0,1]=4 25 B13R2.2130 CN1C=CC2=CC(C=O)=CC=C21 4027626 [0,0,0,1,0,0|2,0,1]=4 26 B10R1.25 CCC1=CC=C(C)C=C1O 4024388 [2,0,0,0,0,0|1,0,1]=4 27 B10R1.30 CCC1=CC(F)=CC=C1O 4031684 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.30 COC1=C(C)C=CC(N)=C1 4030541 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.30 COC1=CC(N)=CC=C1O 4030053 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.3 C#CC1=CC=C(C=O)C=C1 4003406 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.3 COC1=NC=C(C=O)C=N1 4016812 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.176 C(=O)C1=CC(Br)=C(C)C=C1 4017458 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.176 O=CC1=CC=C(O)C(F)=C1 4303011 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.172 C#CC1=CC(C=O)=CC=C1 4031050 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.172 COC1=NC=CC(C=O)=C1 4029564 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.172 CSC1=CC=CC(C=O)=C1 4002911 [2,0,0,0,0,0|0,1,0]=3 37 B12R1.268 CNCC1=CC(Br)=CC=C1OC 4091221 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.268 CNCC1=CC(Br)=CC=C1OC 5539963 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.268 CNCC1=CC(Cl)=CC=C1OC 4089865 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.268 CNCC1=CC(Cl)=CC=C1OC 9071851 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 4043208 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 4088080 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.48 COC1=C(N)C=C(C(C)=O)C=C1 4032179 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.48 COC1=C(O)C=C(C(=O)O)N=C1 4037983 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.48 COC1=CC=C(C(=O)O)N=C1Br 4085657 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.48 COC1=CC=C(C(=O)O)N=C1Cl 4048987 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.48 COC1=CC=C(C(N)=O)C=C1Br 9019331 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.48 COC1=COC(C(=O)O)=CC1=O 4037490 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.114 CCOC1=C(Cl)C=C(C=O)C=C1 4015100 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.288 CNCC1=CC(O)=C(OC)C=C1 9070925 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.452 CN(C)C1=C(Br)C=C(C=O)C=C1 6052841 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.270 C=CCC1=CC(C=O)=CC=C1O 6474172 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 4034699 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.449 COC1=CC(C=O)=C(O)C=C1O 4027897 [1,1,0,0,0,0|0,0,0]=2 55 B14R1.441 C=CCC1=C(OC)C=CC(C(=O)O)=C1 7022461 [0,2,0,0,0,0|1,0,1]=4 56 B14R1.441 COCC1=CC(C(=O)O)=CC=C1OC 6524994 [0,2,0,0,0,0|0,0,0]=2 57 B14R1.3723 COC1=CC=C(C=O)C=C1OC(C)=O 9071542 [0,2,0,0,0,0|0,0,0]=2 58 B14R1.3723 COC1=CC=C(C=O)C=C1OC(C)C 3014199 [0,2,0,0,0,0|0,0,0]=2 59 B14R1.5236 C=CCC1=C(OCC)C=CC(C=O)=C1 6571093 [0,2,0,0,0,0|1,0,1]=4 60 B14R1.5317 CCOC1=CC(C=O)=CC(Br)=C1OC 3004911 [0,2,0,0,0,0|0,0,0]=2 61 B14R1.6787 CCOC1=CC(CNC)=CC=C1OC 4090546 [0,2,0,0,0,0|1,0,1]=4 62 B14R1.6787 CCOC1=CC(CNC)=CC=C1OC 5563263 [0,2,0,0,0,0|1,0,1]=4 63 B14R1.15069 CCOC1=CC(C=O)=C(Cl)C=C1OC 6555111 [0,2,0,0,0,0|0,0,0]=2 64 B14R1.793 COC1=CC=C(CCCN)C=C1OC 4001946 [0,2,0,0,0,0|1,0,1]=4 65 B14R1.1864 CCC(N)C1=CC(OC)=C(OC)C=C1 4032810 [0,2,0,0,0,0|1,0,1]=4 66 B14R1.1864 CCC(N)C1=CC(OC)=C(OC)C=C1 4090843 [0,2,0,0,0,0|1,0,1]=4 67 B14R1.1864 COC(=O)C1=CC(CCl)=C(OC)C=C1 4001622 [0,2,0,0,0,0|2,0,0]=4 68 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC 4012624 [0,2,0,0,0,0|1,0,0]=3 69 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC 4090941 [0,2,0,0,0,0|1,0,0]=3 70 B14R1.14885 CCOC1=C(Br)C=C(C=O)C=C1OC 3004809 [0,2,0,0,0,0|0,0,0]=2 71 B14R1.101 CC(C)OC1=CC=C(C=O)C=C1CO 4002347 [0,2,0,0,0,0|2,0,0]=4 72 B14R1.101 COC1=C(OC(C)C)C=CC(CN)=C1 4027077 [0,2,0,0,0,0|1,0,1]=4 73 B14R1.101 COC1=C(OC(C)C)C=CC(CN)=C1 4091006 [0,2,0,0,0,0|1,0,1]=4 74 B14R1.101 COC1=CC(C=O)=CC=C1OC(C)C 4302398 [0,2,0,0,0,0|0,0,0]=2 75 B14R1.1355 C=CCOC1=C(OC)C=C(C=O)C=C1 3001530 [0,2,0,0,0,0|0,0,0]=2 76 B14R1.1355 CCCOC1=C(CO)C=C(C=O)C=C1 9071737 [0,2,0,0,0,0|2,0,0]=4 77 B14R1.15070 CCOC1=C(OC)C=C(C=O)C(Cl)=C1 6471679 [0,2,0,0,0,0|0,0,0]=2 78 B14R1.2282 COC1=CC(SC)=C(OC)C=C1C=O 4006060 [0,2,0,0,0,0|0,1,0]=3 79 B14R1.2288 COC1=C(C(C)C)C=C(C=O)C(C)=C1 6531894 [0,2,0,0,0,0|1,0,0]=3 80 B14R1.31 COC1=C(C(C)C)C=C(C(C)=O)C=C1 4110460 [0,2,0,0,0,0|1,0,0]=3 81 B14R1.3654 CCC1=CC(S(=O)(=O)Cl)=CC=C1OC 4043497 [0,2,0,0,0,0|2,0,0]=4 82 B12R2.24 OC1=CC=C2OCCOC2=C1 4003146 [1,0,0,1,0,0|0,0,1]=3 83 B12R2.44 NNC1=CC=C2OCOC2=C1 4003163 [1,0,0,1,0,0|2,0,0]=4 84 B14R2.1801 CN1CCCC2=C1C=CC(C=O)=C2 4300153 [0,1,0,1,0,0|2,0,0]=4 85 B14R2.1128 CC1=CC2=C(C=C1C=O)OCCO2 4028538 [0,1,0,1,0,0|0,0,0]=2 86 B14R2.781 CC(N)C1=CC2=C(C=C1)OCCO2 4089079 [0,1,0,1,0,0|1,0,1]=4 87 B14R2.781 CC(N)C1=CC2=C(C=C1)OCCO2 4102862 [0,1,0,1,0,0|1,0,1]=4 88 B14R2.781 O=C(O)C1=CC=C2OCCCC2=C1 4017189 [0,1,0,1,0,0|1,0,0]=3 89 B14R2.781 O=C(O)C1=CC=C2OCCOC2=C1 4003145 [0,1,0,1,0,0|0,0,0]=2