0 B12R1.286 C=CCC1=CC(OC)=C(O)C=C1 050295 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 146405 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.189 COC1=CC(CC#N)=CC=C1 018797 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.189 COC1=CC(CCBr)=CC=C1 485630 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.189 COC1=CC=CC(CCN)=C1 008884 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.189 COC1=CC=CC(N=C=O)=C1 046952 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.189 COC1=CC=CC(N=C=S)=C1 009513 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.192 CC1=C(C)C=C(CCN)C=C1 018634 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.280 CCC1=C(Cl)C=CC(C=O)=C1 069716 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.280 COC1=C(C)C=CC(C=O)=C1 065168 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 075245 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.280 COC1=C(F)C=CC(C#N)=C1 033768 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.280 COC1=C(F)C=CC(C=O)=C1 013012 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.280 COC1=C(O)C=CC(CN)=C1 049826 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.280 COC1=C(O)C=CC(CO)=C1 358167 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.280 COC1=CC(C#N)=CC=C1C 221692 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.280 COC1=CC(C#N)=CC=C1N 093506 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.280 COC1=CC(C=O)=CC=C1O 032468 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.280 COC1=CC(CBr)=CC=C1Cl 243252 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.280 COC1=CC(CN)=CC=C1F 013343 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.280 COC1=CC(OC)=C(F)C=C1 018018 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.280 COC1=CC(OC)=C(I)C=C1 018584 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.280 COC1=CC=C(Br)C(OC)=C1 018268 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.280 COC1=CC=C(O)C(OC)=C1 077720 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.280 O=CC1=C(O)C=CC(CCl)=C1 025138 [1,0,0,0,0,0|3,0,0]=4 25 B13R1.49 CCC(O)C1=CC=C(O)C(OC)=C1 375163 [0,1,0,0,0,0|0,0,2]=3 26 B13R1.49 COC(=O)C1=CC=C(O)C(OC)=C1 222051 [0,1,0,0,0,0|1,0,2]=4 27 B13R1.49 COC1=C(O)C=CC(\C(N)=N\O)=C1 355922 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 002580 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.386 C=CCC1=CC=C(OC)C(OC)=C1 022318 [0,1,0,0,0,0|0,0,0]=1 30 B13R1.386 COC1=C(OC)C=C(N=C=S)C=C1 008867 [0,1,0,0,0,0|2,0,1]=4 31 B13R1.386 COC1=CC=C(CC#N)C=C1OC 076751 [0,1,0,0,0,0|1,0,1]=3 32 B13R1.386 COC1=CC=C(CCO)C=C1OC 214905 [0,1,0,0,0,0|1,0,1]=3 33 B13R1.386 COC1=CC=C(N=C=O)C=C1OC 307932 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 103620 [0,1,0,0,0,0|0,0,1]=2 35 B13R2.449 BrCCC1=CC2=C(C=C1)OCC2 034300 [0,0,0,1,0,0|2,0,1]=4 36 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 002596 [0,0,0,1,0,0|1,0,1]=3 37 B13R2.449 NCCC1=CC=C2OCOC2=C1 078996 [0,0,0,1,0,0|1,0,1]=3 38 B13R2.449 O=C=NC1=CC=C2OCOC2=C1 307348 [0,0,0,1,0,0|2,0,1]=4 39 B13R2.449 S=C=NC1=CC2=C(C=C1)OCO2 009530 [0,0,0,1,0,0|2,0,1]=4 40 B10R1.10 C=CCC1=CC=CC(Cl)=C1 022313 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.10 C=CCC1=CC=CC(F)=C1 022325 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.10 CC1=CC(CC#N)=CC=C1 092558 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.10 CC1=CC=CC(CCO)=C1 068240 [2,0,0,0,0,0|1,0,1]=4 44 B10R1.10 CCCC1=CC=CC(O)=C1 431370 [2,0,0,0,0,0|0,0,2]=4 45 B10R1.10 CNCC1=CC=CC(C)=C1 224541 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.10 NCCC1=CC=CC(O)=C1 009950 [2,0,0,0,0,0|1,0,1]=4 47 B10R1.10 OCCC1=CC(O)=CC=C1 092020 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.172 C#CC1=CC(OC)=CC=C1 046073 [2,0,0,0,0,0|0,0,2]=4 49 B10R1.172 COC1=CC(C=O)=CC=C1 208834 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.172 COC1=CC(CCl)=CC=C1 018781 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.172 COC1=CC(CO)=CC=C1 235697 [2,0,0,0,0,0|1,0,0]=3 52 B10R1.172 COC1=CC=CC(C#N)=C1 035585 [2,0,0,0,0,0|1,0,1]=4 53 B10R1.172 COC1=CC=CC(C=O)=N1 065223 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.172 COC1=CC=CC(CBr)=C1 067808 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.172 COC1=CC=CC(CN)=C1 008880 [2,0,0,0,0,0|1,0,0]=3 56 B10R1.172 COC1=CC=CC(NN)=C1 043642 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.172 COC1=CC=CC(OC)=C1 216356 [2,0,0,0,0,0|1,0,1]=4 58 B10R1.172 COC1=CC=CC(SC)=C1 019335 [2,0,0,0,0,0|1,0,1]=4 59 B10R1.172 COC1=NC=CC(CN)=C1 065469 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.1 CCCC1=CC=C(O)C=C1 068339 [2,0,0,0,0,0|0,0,2]=4 61 B10R1.1 N#CCC1=CC=C(O)C=C1 018726 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.1 NCCC1=CC=C(O)C=C1 078887 [2,0,0,0,0,0|1,0,1]=4 63 B10R1.1 NCCC1=CC=C(O)C=C1 241212 [2,0,0,0,0,0|1,0,1]=4 64 B10R1.1 OCCC1=CC=C(O)C=C1 077935 [2,0,0,0,0,0|1,0,1]=4 65 B10R1.176 C(=O)C1=CC=C(Cl)C(C)=C1 022358 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.176 CC1=C(F)C=CC(C=O)=C1 005785 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.176 CC1=C(F)C=CC(CBr)=C1 005800 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.176 CC1=C(F)C=CC(CN)=C1 005797 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.176 CC1=C(F)C=CC(CO)=C1 005794 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.176 CC1=CC(C=O)=CC=C1Br 079231 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.176 CC1=CC(CN)=CC=C1N 075980 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.176 CC1=CC=C(C=O)C=C1C 208818 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.176 CC1=CC=C(CCl)C=C1C 018620 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.176 CC1=CC=C(CN)C=C1C 018617 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.176 CC1=CC=C(CO)C=C1C 237644 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.176 CCC1=CC(N)=C(O)C=C1 311903 [2,0,0,0,0,0|1,0,1]=4 77 B10R1.176 CCC1=CC=C(O)C(Br)=C1 467266 [2,0,0,0,0,0|1,0,1]=4 78 B10R1.176 N#CC1=CC=C(O)C(O)=C1 214595 [2,0,0,0,0,0|1,0,1]=4 79 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 065171 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.176 O=CC1=CC(F)=C(O)C=C1 009205 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.176 O=CC1=CC(O)=C(I)C=C1 065163 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.176 O=CC1=CC=C(Cl)C(O)=C1 093472 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.176 O=CC1=CC=C(O)C(Br)=C1 222103 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.176 O=CC1=CC=C(O)C(O)=C1 078190 [2,0,0,0,0,0|1,0,0]=3 85 B10R1.30 CC1=CC(CO)=C(O)C=C1 104296 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.30 CC1=CC=C(O)C(C=O)=C1 015625 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.30 CCC1=C(O)C=CC(F)=C1 006110 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.30 COC1=C(Br)C=CC(Br)=C1 062592 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.30 COC1=C(Br)C=CC(F)=C1 013776 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.30 COC1=C(Br)C=CC(I)=C1 062593 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.30 COC1=C(Br)C=CC(N)=C1 075018 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 023224 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.30 COC1=C(Cl)C=CC(F)=C1 004419 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.30 COC1=C(F)C=CC(Br)=C1 035061 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.30 COC1=C(F)C=CC(C)=C1 005783 [2,0,0,0,0,0|1,0,0]=3 96 B10R1.30 COC1=C(F)C=CC(Cl)=C1 013260 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.30 COC1=C(F)C=CC(I)=C1 035062 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.30 COC1=C(F)C=CC(N)=C1 022116 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.30 COC1=C(I)C=CC(F)=C1 075749 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.30 COC1=C(N)C=CC(Br)=C1 040536 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.30 COC1=C(N)C=CC(C)=C1 044675 [2,0,0,0,0,0|1,0,0]=3 102 B10R1.30 COC1=C(N)C=CC(F)=C1 075747 [2,0,0,0,0,0|2,0,0]=4 103 B10R1.30 COC1=C(O)C=CC(F)=C1 005781 [2,0,0,0,0,0|1,0,0]=3 104 B10R1.30 COC1=CC(Br)=CC=C1C 091946 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.30 COC1=CC(Br)=CC=C1I 038031 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.30 COC1=CC(Br)=CC=C1O 210510 [2,0,0,0,0,0|1,0,0]=3 107 B10R1.30 COC1=CC(C)=CC=C1Br 038665 [2,0,0,0,0,0|1,0,0]=3 108 B10R1.30 COC1=CC(C)=CC=C1O 216346 [2,0,0,0,0,0|0,0,0]=2 109 B10R1.30 COC1=CC(Cl)=CC=C1O 120000 [2,0,0,0,0,0|1,0,0]=3 110 B10R1.30 COC1=CC(N)=CC=C1C 077811 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.30 COC1=CC(N)=CC=C1Cl 078684 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.30 COC1=CC(O)=CC=C1O 216578 [2,0,0,0,0,0|1,0,0]=3 113 B10R1.30 CSC1=C(C)C=CC(C)=C1 019337 [2,0,0,0,0,0|1,1,0]=4 114 B12R1.382 COC1=CC(CN=C=S)=CC=C1 008997 [1,1,0,0,0,0|1,0,1]=4 115 B12R1.382 COC1=CC=CC(SCCO)=C1 019380 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.438 COC1=CC(NC(N)=O)=CC=C1 092009 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.438 COC1=CC(NC(N)=S)=CC=C1 018809 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 018795 [1,1,0,0,0,0|1,0,0]=3 119 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 024228 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.19 O=C(O)CC1=CC=C(O)C(Cl)=C1 209995 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 092681 [1,1,0,0,0,0|1,0,0]=3 122 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 M01851 [1,1,0,0,0,0|1,0,1]=4 123 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 048788 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 005490 [1,1,0,0,0,0|2,0,0]=4 125 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 013010 [1,1,0,0,0,0|1,0,1]=4 126 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 035780 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.56 COC1=CC(C(=O)O)=CC=C1C 092939 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.56 COC1=CC(C(=O)O)=CC=C1O 075247 [1,1,0,0,0,0|1,0,0]=3 129 B12R1.56 COC1=CC(C(C)=O)=CC=C1O 227636 [1,1,0,0,0,0|0,0,1]=3 130 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1O 013672 [1,1,0,0,0,0|2,0,0]=4 131 B12R1.78 C#CC1=CC=C(OC)C(OC)=C1 040223 [1,1,0,0,0,0|0,0,2]=4 132 B12R1.78 COC1=C(OC)C=C(CN)C=C1 008881 [1,1,0,0,0,0|1,0,0]=3 133 B12R1.78 COC1=CC(OC)=C(OC)C=C1 003066 [1,1,0,0,0,0|1,0,1]=4 134 B12R1.78 COC1=CC=C(C=O)C=C1OC 078760 [1,1,0,0,0,0|1,0,0]=3 135 B12R1.78 COC1=CC=C(CO)C(OC)=C1 209486 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.78 COC1=CC=C(CO)C=C1OC 209487 [1,1,0,0,0,0|1,0,0]=3 137 B12R1.300 C(=O)C1=CC(OC)=C(O)C(I)=C1 002992 [1,1,0,0,0,0|1,0,0]=3 138 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 211453 [1,1,0,0,0,0|1,0,0]=3 139 B12R1.300 COC1=C(O)C(F)=CC(C=O)=C1 092685 [1,1,0,0,0,0|1,0,0]=3 140 B12R1.449 COC1=C(Cl)C=C(F)C(C=O)=C1 040423 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.453 CCC1=CC=C(O)C(C(C)=O)=C1 012073 [1,1,0,0,0,0|1,0,1]=4 142 B14R1.41 COC1=CC(C(O)C(=O)O)=CC=C1O 321935 [0,2,0,0,0,0|1,0,0]=3 143 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 049630 [0,2,0,0,0,0|1,0,0]=3 144 B14R1.3651 COC1=CC=C(CC(C)=O)C=C1OC 243018 [0,2,0,0,0,0|0,0,1]=3 145 B14R1.6787 CCOC1=C(OC)C=CC(CCN)=C1 018672 [0,2,0,0,0,0|1,0,1]=4 146 B14R1.793 COC1=C(OC)C=C(CCCO)C=C1 099293 [0,2,0,0,0,0|0,0,2]=4 147 B14R1.14946 COC1=C(OC)C=C(CC#N)C(Br)=C1 018271 [0,2,0,0,0,0|1,0,1]=4 148 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O 077642 [0,2,0,0,0,0|0,0,1]=3 149 B14R1.3236 COC1=CC(CCN)=CC(OC)=C1O 018580 [0,2,0,0,0,0|1,0,1]=4 150 B12R2.44 COC1=CC2=C(C=C1)NC=C2 024491 [1,0,0,1,0,0|1,0,1]=4 151 B12R2.44 COC1=CC2=C(C=CN2)C=C1 013620 [1,0,0,1,0,0|1,0,0]=3 152 B12R2.44 COC1=CC2=C(C=CN2)C=N1 092003 [1,0,0,1,0,0|2,0,0]=4 153 B12R2.44 COC1=NC2=C(C=CN2)C=C1 062956 [1,0,0,1,0,0|2,0,0]=4 154 B12R2.315 COC1=C2NC=CC2=CC=C1 023388 [1,0,0,1,0,0|1,0,1]=4 155 B14R2.1008 NC(=S)NC1=CC=C2OCOC2=C1 018842 [0,1,0,1,0,0|2,0,0]=4 156 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 023401 [0,1,0,1,0,0|2,0,0]=4 157 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 018839 [0,1,0,1,0,0|1,0,0]=3 158 B14R2.991 S=C=NCC1=CC2=C(C=C1)OCO2 009529 [0,1,0,1,0,0|1,0,1]=4