0 B11R1.166 CC(=O)C1=C(C)C=C(Cl)C=C1 29048 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.166 CC(=O)C1=C(C)C=C(O)C=C1 26815 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 26753 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 30402 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 24972 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 26813 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.166 CC(=O)C1=CC=C(Br)C=C1C 29316 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.166 CC(=O)C1=CC=C(C)C=C1O 24914 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.166 CC(=O)C1=CC=C(I)C=C1O 23951 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.166 CC1=C(C(C)C)C=CC(O)=C1 31105 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 26826 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.166 CC1=CC(Cl)=C(B(O)O)C=C1 28741 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.166 CC1=CC(F)=C([N+](=O)[O-])C=C1 21264 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 29907 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.166 CC1=CC=C(C(=N)N)C(C)=C1 19944 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 01724 [0,0,0,0,0,0|0,0,0]=0 16 B11R1.166 CC1=CC=C([N+](=O)[O-])C(O)=N1 28662 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.166 CC1=CC=C([N+](=O)[O-])C(O)=N1 29172 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 02102 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 29881 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.166 O=[N+]([O-])C1=C(O)C=C(Br)C=C1 31976 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.13 CC(=O)C1=CC=C(C)C=C1 27193 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.13 CC(=O)C1=CC=C(C)C=N1 17579 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 26758 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.13 CC(=O)C1=CC=C(F)C=C1 26748 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.13 CC(=O)C1=CC=C(I)C=C1 27645 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.13 CC(=O)C1=CC=C(O)C=C1 30857 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.13 CC(C)C1=CC=C(I)C=C1 27365 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.13 CC(N)C1=CC=C(Br)C=C1 24660 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 24995 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.13 CC(N)C1=CC=C(O)C=C1 24161 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.13 CC(O)C1=CC=C(Br)C=C1 26914 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.13 CC1=CC=C(B(O)O)C=C1 30418 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.13 CC1=CC=C(C(=N)N)C=C1 17210 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.13 CC1=CC=C(C(C)C)C=C1 27775 [1,0,0,0,0,0|0,0,0]=1 35 B10R1.13 CC1=CC=C(C(C)N)C=C1 24701 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.13 CC1=CC=C(C(C)N)N=C1 18435 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.13 CC1=CC=C(C(C)O)C=C1 27421 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 24263 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 24262 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.25 CC1=CC(Br)=CC=C1CO 29345 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.25 CC1=CC(Cl)=CC=C1CO 28919 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.25 CC1=CC=C(C#N)C(Br)=C1 28110 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.25 CCC1=C(Br)C=C(N)C=C1 29476 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.25 COC1=C(Br)C=C(Br)C=C1 30389 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.25 COC1=C(Br)C=C(F)C=C1 27315 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.25 COC1=C(I)C=C(Cl)C=C1 27716 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.25 COC1=CC=C(C)C=C1O 27589 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.25 COC1=CC=C(Cl)C=C1Br 27857 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.25 COC1=CC=C(F)C=C1N 24899 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.25 COC1=CC=C(S)C=C1F 28920 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.25 O=CC1=CC=C(Br)C=C1O 31936 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.61 CC(=O)C1=C(C)C=CC=C1 30419 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 26752 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.61 CC(=O)C1=C(F)C=CC=C1 26745 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.61 NC(=S)C1=C(O)C=CC=C1 28538 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.61 O=C(O)C1=C(O)C=CC=C1 01498 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.61 O=C(O)C1=C(O)C=CC=C1 30167 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 26494 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 02339 [1,0,0,0,0,0|3,0,0]=4 60 B12R1.57 COC1=CC(F)=CC=C1C(C)=O 24953 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.232 CC(=O)C1=C(O)C=C(C)C(Br)=C1 29297 [0,1,0,0,0,0|1,0,1]=3 62 B12R1.232 CC(=O)C1=CC(C)=C(C)C=C1O 24644 [0,1,0,0,0,0|1,0,1]=3 63 B12R1.232 CC(=O)C1=CC(Cl)=C(C)C=C1O 24681 [0,1,0,0,0,0|1,0,1]=3 64 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 25768 [0,1,0,0,0,0|1,0,1]=3 65 B12R1.452 COC1=CC=C(C(C)=O)C(C)=C1 29206 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O 27998 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(C)=C1 24964 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.1703 CC1=CC=C(C(N)CO)C(C)=C1 29505 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.1703 COC(=O)C1=CC=C(C)C=C1N 23976 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.1703 O=C(CBr)C1=C(O)C=C(O)C=C1 25056 [0,1,0,0,0,0|2,0,1]=4 71 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 30815 [0,0,0,1,0,0|2,0,1]=4 72 B12R2.612 O=C1COC2=C1C=CC(O)=C2 31269 [0,0,0,1,0,0|2,0,1]=4 73 B12R2.612 O=C1COC2=CC(Br)=CC=C12 19192 [0,0,0,1,0,0|2,0,1]=4 74 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 18132 [0,0,0,1,0,0|2,0,1]=4 75 B9R1.1 BrCC1=CC=C(Br)C=C1 07248 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.1 CC1=CC=C(CCl)C=C1 06828 [2,0,0,0,0,0|1,0,0]=3 77 B9R1.1 CC1=CC=C(CO)C=C1 15163 [2,0,0,0,0,0|1,0,0]=3 78 B9R1.1 CCC1=CC=C(Br)C=C1 26736 [2,0,0,0,0,0|1,0,0]=3 79 B9R1.1 CNC1=CC=C(O)C=C1 32029 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.1 COC1=CC=C(Br)C=C1 30359 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.1 COC1=CC=C(C)C=C1 27173 [2,0,0,0,0,0|1,0,0]=3 82 B9R1.1 COC1=CC=C(C)C=N1 29129 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.1 COC1=CC=C(C)N=C1 29217 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.1 COC1=CC=C(F)C=C1 30024 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.1 NC1=CC=C(CO)C=C1 29757 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.1 NCC1=CC=C(O)C=C1 17203 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.1 OCC1=CC=C(Cl)C=C1 31156 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.1 OCC1=CC=C(F)C=C1 30025 [2,0,0,0,0,0|2,0,0]=4 89 B9R1.1 OCC1=CC=C(O)C=C1 00198 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.6 CC(=O)C1=CC=CC=C1 27189 [2,0,0,0,0,0|1,0,1]=4 91 B9R1.6 CC(=O)C1=CC=CC=C1 29528 [2,0,0,0,0,0|1,0,1]=4 92 B9R1.6 CC(N)C1=CC=NC=C1 17007 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.6 CC(N)C1=CN=CC=C1 17106 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.6 CC(N)C1=NC=CC=C1 17105 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.6 CN(C)C1=CC=NC=C1 00120 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.6 CN(C)C1=CC=NC=C1 30845 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.6 CN(C)C1=CC=NC=C1 30846 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.6 C[C@@H](N)C1=CC=CC=C1 24594 [2,0,0,0,0,0|1,0,0]=3 99 B9R1.6 C[C@H](N)C1=CC=CC=C1 24595 [2,0,0,0,0,0|1,0,0]=3 100 B9R1.15 BrCC1=C(Br)C=CC=C1 07247 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.15 CCC1=C(Br)C=NC=C1 29280 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.15 CCC1=C(O)C=CC=C1 26809 [2,0,0,0,0,0|0,0,0]=2 103 B9R1.15 COC1=C(Br)C=CC=C1 30420 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.15 COC1=C(F)C=CC=C1 30023 [2,0,0,0,0,0|2,0,0]=4 105 B9R1.15 COC1=C(I)C=CC=C1 26768 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.15 ClC1=C(CBr)C=CC=C1 14034 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.15 FC1=C(CBr)C=CC=C1 07253 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.15 N#CC1=C(O)C=CC=C1 26803 [2,0,0,0,0,0|1,0,1]=4 109 B9R1.15 O=CC1=C(O)C=CC=C1 21847 [2,0,0,0,0,0|1,0,1]=4 110 B9R1.15 OCC1=C(Cl)C=CC=C1 00064 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.15 OCC1=C(F)C=CC=C1 31154 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.15 OCC1=NC=CC=C1O 27043 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.69 CC1=C(I)C=C(N)C=C1 27676 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.69 CC1=C(O)C=C(Cl)C=C1 27750 [2,0,0,0,0,0|1,0,0]=3 115 B9R1.69 CC1=CC(Br)=C(C)N=C1 28268 [2,0,0,0,0,0|2,0,0]=4 116 B9R1.69 CC1=CC(Br)=C(O)C=C1 26805 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.69 CC1=CC=C(Br)C(I)=C1 29060 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.69 CC1=CC=C(Br)C(N)=C1 17974 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.69 CC1=CC=C(Br)C(O)=N1 28708 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.69 CC1=CC=C(Br)C=C1C 12975 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.69 CC1=CC=C(C)C(Br)=N1 29362 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.69 CC1=CC=C(Cl)C(Br)=C1 27858 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.69 CC1=CC=C(F)C=C1Cl 31163 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.69 CC1=CC=C(F)C=C1N 21901 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.69 CC1=CC=C(I)C(Br)=C1 27860 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.69 CC1=CC=C(N)C(I)=C1 28728 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.69 CC1=CC=C(O)C=C1Br 29091 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.69 CC1=CN=C(C)C(C)=C1 31937 [2,0,0,0,0,0|2,0,0]=4 129 B11R1.3 CN(C)C1=CC=C(C#N)C=C1 26789 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 00119 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 30053 [1,1,0,0,0,0|1,0,1]=4 132 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 31346 [1,1,0,0,0,0|1,0,1]=4 133 B11R1.3 COC1=CC=C(C(C)=O)C=C1 30355 [1,1,0,0,0,0|1,0,1]=4 134 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 30859 [1,1,0,0,0,0|1,0,1]=4 135 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 27710 [1,1,0,0,0,0|1,0,0]=3 136 B11R1.21 CC(=O)C1=CC=C(C)C(Br)=C1 28652 [1,1,0,0,0,0|1,0,1]=4 137 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 30849 [1,1,0,0,0,0|1,0,1]=4 138 B11R1.22 CC1=CC=C(C(O)CN)C=C1 23754 [1,1,0,0,0,0|1,0,0]=3 139 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 30414 [1,1,0,0,0,0|1,0,1]=4 140 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 23683 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.22 NCC(O)C1=CC=C(F)C=C1 23414 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.22 NCC(O)C1=CC=C(O)C=C1 30438 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.37 COC1=C(CO)C=CC(Br)=C1 29028 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.37 COC1=C(CO)C=CC(Cl)=C1 28645 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.37 COC1=C(CO)C=CC(O)=C1 28285 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.37 COC1=CC=C(Br)C=C1OC 27167 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.81 CCNC1=C(Cl)C=C(Cl)C=C1 18231 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.279 COC1=C(I)C=C(CO)C=C1 28879 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.279 COC1=CC(O)=C(C=O)C=C1 26871 [1,1,0,0,0,0|1,0,1]=4 150 B11R1.279 COC1=CC=C(C#N)C=C1O 28622 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.279 COC1=CC=C(CN)C=C1Cl 24189 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.156 CC(=O)C1=C(O)C=CC=C1O 21959 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.159 CC(=O)C1=CC=CC(F)=C1O 24402 [1,1,0,0,0,0|1,0,1]=4 154 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 26011 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 24651 [1,1,0,0,0,0|1,0,1]=4 156 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 24864 [1,1,0,0,0,0|1,0,1]=4 157 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1O 26010 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.222 CC1=C(C(O)CN)C=CC=C1 23756 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 23687 [1,1,0,0,0,0|2,0,0]=4 160 B13R1.99 COC1=CC(OC)=C(C(C)=O)C=C1 30447 [0,2,0,0,0,0|1,0,1]=4 161 B13R1.95 COC(=O)C1=C(O)C=C(OC)C=C1 25006 [0,2,0,0,0,0|1,0,1]=4 162 B11R2.36 BrC1=CC=C2CCNC2=C1 20490 [1,0,0,1,0,0|2,0,0]=4 163 B11R2.36 CC1=CC2=C(C=C1)NCC2 19131 [1,0,0,1,0,0|2,0,0]=4 164 B11R2.36 ClC1=CC=C2CCNC2=C1 20514 [1,0,0,1,0,0|2,0,0]=4 165 B11R2.36 FC1=CC2=C(C=C1)CCN2 19213 [1,0,0,1,0,0|2,0,0]=4 166 B11R2.36 IC1=CC=C2CCNC2=C1 20539 [1,0,0,1,0,0|2,0,0]=4 167 B11R2.36 NC1=CC2=C(C=C1)CCN2 21317 [1,0,0,1,0,0|2,0,0]=4 168 B11R2.1 NC1COC2=CC=CC=C21 17963 [1,0,0,1,0,0|1,0,0]=3 169 B9R1.35 CC1=CSC(C(C)C)=N1 27529 [1,0,0,0,1,0|2,0,0]=4 170 B11R1.20 CN(C)CC1=CC=C(N)C=C1 18995 [1,0,0,0,0,1|2,0,0]=4 171 B11R1.86 CN(C)CC1=C(N)C=CC=C1 20019 [1,0,0,0,0,1|2,0,0]=4 172 B11R1.86 CN(C)CC1=NC=CC=C1O 27041 [1,0,0,0,0,1|2,0,0]=4