0 B13R1.433 CCC1=CC(C=O)=CC(CC)=C1O CL9168 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.433 CCC1=CC(OC)=C(O)C(OC)=C1 D93071 [0,0,0,0,0,0|0,0,0]=0 2 B13R1.433 COC1=CC(C=O)=CC(OC)=C1C D82656 [0,0,0,0,0,0|2,0,1]=3 3 B13R1.433 COC1=CC(C=O)=CC(OC)=C1O AC7930 [0,0,0,0,0,0|1,0,1]=2 4 B13R1.433 COC1=CC(CBr)=CC(OC)=C1Br 78042 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.433 COC1=CC(CO)=CC(OC)=C1Br 78041 [0,0,0,0,0,0|2,0,0]=2 6 B13R1.433 COC1=CC(OC)=C(Br)C(OC)=C1 A10230 [0,0,0,0,0,0|2,0,0]=2 7 B13R1.433 COC1=CC(OC)=C(N)C(OC)=C1 97408 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.58 C#CC1=CC(OC)=CC(OC)=C1 98434 [1,0,0,0,0,0|0,0,2]=3 9 B12R1.58 CCC1=CC(CC)=CC(CC)=C1 D72873 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.58 COC1=CC(C#N)=CC(OC)=C1 33561 [1,0,0,0,0,0|1,0,1]=3 11 B12R1.58 COC1=CC(C=O)=CC(OC)=C1 CL8299 [1,0,0,0,0,0|1,0,1]=3 12 B12R1.58 COC1=CC(CBr)=CC(OC)=C1 CK2005 [1,0,0,0,0,0|1,0,0]=2 13 B12R1.58 COC1=CC(CCl)=CC(OC)=C1 22850 [1,0,0,0,0,0|1,0,0]=2 14 B12R1.58 COC1=CC(CN)=CC(OC)=C1 33511 [1,0,0,0,0,0|1,0,0]=2 15 B12R1.58 COC1=CC(CO)=CC(OC)=C1 75705 [1,0,0,0,0,0|1,0,0]=2 16 B12R1.58 COC1=CC(OC)=CC(OC)=C1 D70893 [1,0,0,0,0,0|1,0,0]=2 17 B12R1.58 COC1=CC(OC)=NC(OC)=N1 30291 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.58 COC1=CC(OC)=NC(SC)=N1 25033 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.235 CCC1=CC(C)=CC(CC)=C1Br 36451 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.235 CCC1=CC(C)=CC(CC)=C1N F11224 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.235 COC1=C(O)C(C=O)=CC(Br)=C1 F13800 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.235 COC1=CC(=O)C=C(OC)C1=O D90101 [1,0,0,0,0,0|1,0,1]=3 23 B12R1.235 COC1=CC(Br)=CC(OC)=C1F I12058 [1,0,0,0,0,0|2,0,0]=3 24 B12R1.235 COC1=CC(C)=CC(OC)=C1O 75386 [1,0,0,0,0,0|0,0,0]=1 25 B12R1.235 COC1=CC(O)=CC(OC)=C1O 78410 [1,0,0,0,0,0|1,0,0]=2 26 B12R1.235 COC1=NC(C)=NC(OC)=C1Br SC5087 [1,0,0,0,0,0|3,0,0]=4 27 B12R1.300 COC1=C(O)C(O)=CC(C=O)=C1 D72699 [1,0,0,0,0,0|1,0,1]=3 28 B12R1.300 COC1=CC(C#N)=CC(Br)=C1O 76872 [1,0,0,0,0,0|2,0,1]=4 29 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O A10204 [1,0,0,0,0,0|2,0,1]=4 30 B12R1.300 COC1=CC(C=O)=CC(Cl)=C1O W18340 [1,0,0,0,0,0|2,0,1]=4 31 B12R1.300 COC1=CC(C=O)=CC(F)=C1O CL8325 [1,0,0,0,0,0|2,0,1]=4 32 B12R1.300 COC1=CC(C=O)=CC(I)=C1O A10201 [1,0,0,0,0,0|2,0,1]=4 33 B12R1.300 COC1=CC(OC)=C(Cl)C(O)=C1 W13153 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.300 COC1=CC(OC)=C(F)C(N)=C1 34360 [1,0,0,0,0,0|3,0,0]=4 35 B14R1.362 COC1=CC(B(O)O)=CC(OC)=C1F I12042 [0,1,0,0,0,0|3,0,0]=4 36 B14R1.362 COC1=CC(C(=O)O)=CC(OC)=C1Br AB10353 [0,1,0,0,0,0|2,0,1]=4 37 B14R1.362 COC1=CC(C(=O)O)=CC(OC)=C1C W16340 [0,1,0,0,0,0|2,0,1]=4 38 B14R1.362 COC1=CC(C(=O)O)=CC(OC)=C1O A10287 [0,1,0,0,0,0|1,0,1]=3 39 B14R1.362 COC1=CC(C(C)=O)=CC(OC)=C1O F20446 [0,1,0,0,0,0|0,0,1]=2 40 B14R1.576 COC1=CC(C#N)=CC(OC)=C1OC A10239 [0,1,0,0,0,0|1,0,1]=3 41 B14R1.576 COC1=CC(C=O)=CC(OC)=C1OC AC7996 [0,1,0,0,0,0|1,0,1]=3 42 B14R1.576 COC1=CC(CBr)=CC(OC)=C1OC C74084 [0,1,0,0,0,0|1,0,0]=2 43 B14R1.576 COC1=CC(CO)=CC(OC)=C1OC 11584 [0,1,0,0,0,0|1,0,0]=2 44 B14R1.576 COC1=CC(OC)=C(C=O)C(OC)=C1 CK2089 [0,1,0,0,0,0|1,0,1]=3 45 B14R1.576 COC1=CC(OC)=C(CO)C(OC)=C1 C78346 [0,1,0,0,0,0|1,0,0]=2 46 B14R1.576 COC1=CC(OC)=C(CS)C(OC)=C1 C15306 [0,1,0,0,0,0|1,1,0]=3 47 B14R1.3236 C=CCC1=CC(OC)=C(O)C(OC)=C1 55761 [0,1,0,0,0,0|0,0,1]=2 48 B14R2.1101 COC1=C2OCOC2=CC(C=O)=C1 52534 [0,0,0,1,0,0|1,0,1]=3 49 B11R1.9 CCC1=CC(Br)=CC(CC)=C1 CL8619 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.9 CCC1=CC(OC)=CC(=O)O1 60967 [2,0,0,0,0,0|1,0,1]=4 51 B11R1.9 COC1=CC(Br)=CC(OC)=C1 77976 [2,0,0,0,0,0|1,0,0]=3 52 B11R1.9 COC1=CC(Br)=NC(OC)=C1 D82771 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.9 COC1=CC(C)=CC(C=O)=C1 CL9236 [2,0,0,0,0,0|1,0,1]=4 54 B11R1.9 COC1=CC(C)=CC(OC)=C1 70361 [2,0,0,0,0,0|0,0,0]=2 55 B11R1.9 COC1=CC(CBr)=CC(F)=C1 CL8717 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.9 COC1=CC(CO)=CC(F)=C1 75829 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.9 COC1=CC(Cl)=CC(OC)=C1 TD1305 [2,0,0,0,0,0|1,0,0]=3 58 B11R1.9 COC1=CC(F)=CC(OC)=C1 TD1115 [2,0,0,0,0,0|1,0,0]=3 59 B11R1.9 COC1=CC(I)=CC(OC)=C1 25245 [2,0,0,0,0,0|1,0,0]=3 60 B11R1.9 COC1=CC(N)=CC(OC)=C1 25053 [2,0,0,0,0,0|1,0,0]=3 61 B11R1.9 COC1=CC(O)=CC(OC)=C1 F17066 [2,0,0,0,0,0|1,0,0]=3 62 B11R1.9 COC1=CC(OC)=NC(C)=N1 27004 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.8 CC1=CC(C=O)=C(O)C(C)=C1 71512 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.8 COC1=C(I)C(C)=CC(Cl)=C1 72278 [2,0,0,0,0,0|2,0,0]=4 65 B11R1.8 COC1=C(N)C(C)=CC(Br)=C1 CL8439 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.267 CCC1=CC=CC(CC)=C1O 23857 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.267 COC1=C(O)C(C#N)=CC=C1 36737 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.267 COC1=C(O)C(CO)=CC=C1 67687 [2,0,0,0,0,0|2,0,0]=4 69 B11R1.267 COC1=CC=CC(C=O)=C1O P20004 [2,0,0,0,0,0|2,0,0]=4 70 B11R1.267 COC1=CC=CC(OC)=C1Br O10672 [2,0,0,0,0,0|1,0,0]=3 71 B11R1.267 COC1=CC=CC(OC)=C1C AC8327 [2,0,0,0,0,0|1,0,0]=3 72 B11R1.267 COC1=CC=CC(OC)=C1I W11054 [2,0,0,0,0,0|1,0,0]=3 73 B11R1.267 COC1=CC=CC(OC)=C1N 34657 [2,0,0,0,0,0|1,0,0]=3 74 B11R1.267 COC1=CC=CC(OC)=C1O F13351 [2,0,0,0,0,0|0,0,0]=2 75 B11R1.14 CC1=CC(C#N)=CC(C)=C1O 26020 [2,0,0,0,0,0|1,0,1]=4 76 B11R1.14 CC1=CC(C=O)=CC(C)=C1O 26117 [2,0,0,0,0,0|1,0,1]=4 77 B11R1.14 CC1=CC(CO)=CC(C)=C1O A11112 [2,0,0,0,0,0|1,0,0]=3 78 B11R1.14 COC1=CC(C)=C(Br)C(C)=C1 23863 [2,0,0,0,0,0|2,0,0]=4 79 B11R1.14 COC1=CC(C)=C(N)C(C)=C1 CL9312 [2,0,0,0,0,0|2,0,0]=4 80 B11R1.14 O=CC1=CC(O)=C(O)C(O)=C1 35376 [2,0,0,0,0,0|1,0,1]=4 81 B11R1.14 O=CC1=CC(O)=C(O)C(O)=C1 F19568 [2,0,0,0,0,0|1,0,1]=4 82 B11R1.280 C=CC1=CC(OC)=C(O)C=C1 35331 [2,0,0,0,0,0|0,0,2]=4 83 B11R1.280 CCC1=CC(OC)=C(O)C=C1 D90493 [2,0,0,0,0,0|0,0,0]=2 84 B11R1.280 COC1=C(Br)C=CC(CO)=C1 63215 [2,0,0,0,0,0|2,0,0]=4 85 B11R1.280 COC1=C(F)C=CC(CBr)=C1 CL8729 [2,0,0,0,0,0|2,0,0]=4 86 B11R1.280 COC1=C(F)C=CC(CN)=C1 31271 [2,0,0,0,0,0|2,0,0]=4 87 B11R1.280 COC1=C(F)C=CC(CO)=C1 CL8731 [2,0,0,0,0,0|2,0,0]=4 88 B11R1.280 COC1=C(O)C=CC(C#N)=C1 73713 [2,0,0,0,0,0|1,0,1]=4 89 B11R1.280 COC1=C(O)C=CC(CN)=C1 41184 [2,0,0,0,0,0|1,0,0]=3 90 B11R1.280 COC1=C(O)C=CC(CN)=C1 D94459 [2,0,0,0,0,0|1,0,0]=3 91 B11R1.280 COC1=C(O)C=CC(CO)=C1 D71248 [2,0,0,0,0,0|1,0,0]=3 92 B11R1.280 COC1=CC(OC)=C(Br)C=C1 F21465 [2,0,0,0,0,0|2,0,0]=4 93 B11R1.280 COC1=CC(OC)=C(F)C=C1 61084 [2,0,0,0,0,0|2,0,0]=4 94 B11R1.280 COC1=CC(OC)=C(I)C=C1 F21463 [2,0,0,0,0,0|2,0,0]=4 95 B11R1.280 COC1=CC(OC)=C(N)C=C1 D87859 [2,0,0,0,0,0|2,0,0]=4 96 B11R1.280 COC1=CC(OC)=C(O)C=C1 24098 [2,0,0,0,0,0|1,0,0]=3 97 B11R1.280 COC1=CC(OC)=C(S)C=C1 D82218 [2,0,0,0,0,0|1,1,0]=4 98 B13R1.313 COC1=CC(OC)=CC(B(O)O)=C1 23838 [1,1,0,0,0,0|2,0,0]=4 99 B13R1.313 COC1=CC(OC)=CC(C(=O)Cl)=C1 S11977 [1,1,0,0,0,0|1,0,1]=4 100 B13R1.313 COC1=CC(OC)=CC(C(=O)O)=C1 11687 [1,1,0,0,0,0|1,0,1]=4 101 B13R1.313 COC1=CC(OC)=CC(C(C)=O)=C1 W11377 [1,1,0,0,0,0|0,0,1]=3 102 B13R1.313 COC1=CC(OC)=CC(C(N)=O)=C1 C10220 [1,1,0,0,0,0|1,0,1]=4 103 B13R1.313 COC1=CC(OC)=CC([C@H](C)N)=C1 N10957 [1,1,0,0,0,0|0,0,0]=2 104 B13R1.358 COC1=CC(CC#N)=CC(OC)=C1 71020 [1,1,0,0,0,0|0,0,1]=3 105 B13R1.358 COC1=CC(CCO)=CC(OC)=C1 D83596 [1,1,0,0,0,0|0,0,0]=2 106 B13R1.302 COC1=CC(Br)=CC(OC)=C1C=O 33973 [1,1,0,0,0,0|1,0,1]=4 107 B13R1.302 COC1=CC(Br)=CC(OC)=C1OC 34887 [1,1,0,0,0,0|1,0,0]=3 108 B13R1.302 COC1=CC(C)=CC(OC)=C1OC D70896 [1,1,0,0,0,0|0,0,0]=2 109 B13R1.302 COC1=CC(I)=CC(OC)=C1OC 84414 [1,1,0,0,0,0|1,0,0]=3 110 B13R1.302 COC1=CC(N)=CC(OC)=C1OC 34404 [1,1,0,0,0,0|1,0,0]=3 111 B13R1.302 COC1=CC(O)=CC(OC)=C1C=O 62934 [1,1,0,0,0,0|1,0,1]=4 112 B13R1.302 COC1=CC(O)=CC(OC)=C1OC A10928 [1,1,0,0,0,0|1,0,0]=3 113 B13R1.298 COC1=C(O)C(O)=CC(C(=O)O)=C1 60307 [1,1,0,0,0,0|1,0,1]=4 114 B13R1.434 COC1=C(OC)C(O)=CC(C=O)=C1 C15513 [1,1,0,0,0,0|1,0,1]=4 115 B13R1.434 COC1=CC(OC)=C(C=O)C(O)=C1 74002 [1,1,0,0,0,0|1,0,1]=4 116 B15R1.378 COC1=CC(B(O)O)=CC(OC)=C1OC 33936 [0,2,0,0,0,0|2,0,0]=4 117 B15R1.378 COC1=CC(C(=O)Cl)=CC(OC)=C1OC 75663 [0,2,0,0,0,0|1,0,1]=4 118 B15R1.378 COC1=CC(C(=O)O)=CC(OC)=C1OC 44567 [0,2,0,0,0,0|1,0,1]=4 119 B15R1.378 COC1=CC(C(C)=O)=CC(OC)=C1OC F19548 [0,2,0,0,0,0|0,0,1]=3 120 B15R1.378 COC1=CC(C(N)=O)=CC(OC)=C1OC D92382 [0,2,0,0,0,0|1,0,1]=4 121 B15R1.383 COC(=O)C1=CC(OC)=C(Br)C(OC)=C1 AB9635 [0,2,0,0,0,0|1,0,1]=4 122 B15R1.383 COC(=O)C1=CC(OC)=C(N)C(OC)=C1 E70353 [0,2,0,0,0,0|1,0,1]=4 123 B15R1.383 COC(=O)C1=CC(OC)=C(O)C(OC)=C1 33985 [0,2,0,0,0,0|0,0,1]=3 124 B15R1.383 COC1=CC(C(=O)NN)=CC(OC)=C1O D97316 [0,2,0,0,0,0|1,0,1]=4 125 B15R1.695 COC(=O)C1=CC(OC)=CC(OC)=C1F 35092 [0,2,0,0,0,0|2,0,0]=4 126 B15R1.3705 C=CCC1=CC(OC)=C(OC)C(OC)=C1 29069 [0,2,0,0,0,0|0,0,1]=3 127 B15R1.3705 COC1=CC(CC#N)=CC(OC)=C1OC 67767 [0,2,0,0,0,0|0,0,1]=3 128 B15R1.10175 COC1=CC(OC)=C(C(=O)O)C(OC)=C1 33984 [0,2,0,0,0,0|1,0,0]=3 129 B15R1.10175 COC1=CC(OC)=C(C(C)=O)C(OC)=C1 D70100 [0,2,0,0,0,0|1,0,1]=4 130 B15R1.390 COC1=CC(CC(=O)O)=CC(OC)=C1O T72480 [0,2,0,0,0,0|0,0,1]=3 131 B15R1.5536 COC1=CC(\C=C\CO)=CC(OC)=C1O D94780 [0,2,0,0,0,0|0,0,1]=3 132 B15R2.1851 COC1=CC(C=O)=CC2=C1OCCO2 D95106 [0,1,0,1,0,0|1,0,1]=4