0 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 CS19038 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 CS20810 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 MC40938 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 CS16411 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.19 CC(C)(C)C1=NC=C(Br)C=N1 MC441252 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.19 CC(C)(N)C1=NC=C(Br)C=C1 MC102695 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 CS14403 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.19 CC(C)(O)C1=CC=C(Br)N=C1 MC106089 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.19 CC(C)(O)C1=CC=C(N)N=C1 MC21168 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.19 CC(C)(O)C1=NC=C(Br)C=C1 CS16019 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.19 CC1=CC=C(C(F)(F)F)C=C1 MC30310 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 CS10464 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 CS16414 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 CS20302 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.19 CS(=O)(=O)C1=CC=C(N)C=C1 CS20413 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 CS20393 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.19 C[Si](C)(C)c1ccc(F)cc1 MC433556 [0,0,0,0,0,0|1,1,0]=2 17 B11R1.19 FC(F)(Br)c1ccc(Cl)cc1 MC430822 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.19 FC(F)(F)C1=CC=C(Br)C=C1 CS14293 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.19 FC(F)(F)C1=CC=C(Cl)C=C1 MC41436 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.19 FC(F)(F)C1=CC=C(I)C=C1 CS10287 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.19 FC(F)(F)C1=CC=C(S)C=C1 MC41416 [0,0,0,0,0,0|3,1,0]=4 22 B11R1.19 FC1=CC=C(C(F)(F)F)C=C1 CS19920 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.19 NC1=CC=C(C(F)(F)F)C=C1 CS10421 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.19 OC1=CC=C(C(F)(F)F)C=C1 CS20124 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.19 OC1=CC=C(C(F)(F)F)C=C1 MC30347 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.19 OC1=CN=C(C(F)(F)F)C=C1 MC10242 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.19 OC1=NC=C(C(F)(F)F)C=C1 CS18876 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [1,0,0,0,0,0|0,0,2]=3 29 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.13 CC(Br)C1=CC=C(F)C=C1 CS16140 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS19162 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.13 CC(C)C1=CC=C(Cl)N=N1 CS15951 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS22915 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.13 CC(C)C1=CC=C(N)C=N1 CS22406 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.13 CC(C)C1=CN=C(Br)C=C1 MC432364 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.13 CC(C)C1=CN=C(Cl)C=C1 MC107619 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 MC113225 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.13 CC(C)C1=CN=C(N)C=C1 CS21752 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.13 CC(C)C1=NC=C(Br)C=N1 MC441127 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS10540 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS20256 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.13 CC(N)C1=CC=C(F)C=C1 CS19253 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC40832 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC429424 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.13 CC(N)C1=CC=C(I)C=C1 MC113505 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.13 CC(N)C1=CC=C(N)C=C1 CS22422 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.13 CC(N)C1=NC=C(F)C=C1 CS16980 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.13 CC(N)C1=NC=C(F)C=C1 MC102962 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.13 CC(N)c1ccc(Cl)cc1 MC433903 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.13 CC(O)C1=CC=C(F)C=C1 MC33129 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.13 CC(O)C1=CC=C(N)C=C1 MC40728 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.13 CN(C)C1=CC=C(Br)C=C1 CS15132 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.13 CN(C)C1=CC=C(Br)N=C1 CS17769 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 MC20289 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS16430 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS16528 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.13 CN(C)C1=CC=C(O)C=C1 MC442505 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.13 CN(C)C1=NC=C(Br)C=C1 MC425751 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.13 CN(C)C1=NC=C(I)C=C1 CS16969 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.13 CN(C)C1=NC=C(N)C=C1 MC427118 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.13 CN(C)C1=NC=C(N)C=C1 MC427390 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.13 FC(F)C1=CC=C(Br)C=C1 MC33151 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 MC33143 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS20343 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.13 NC1=CC=C(C(F)F)C=C1 CS17592 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 MC41207 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.13 OB(O)C1=CC=C(O)C=C1 CS19452 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.13 OC1=CC=C(C(F)F)C=C1 CS15692 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.13 OC1=CC=C(C(F)F)N=C1 MC429310 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.28 CC(C)(C)C1=CC=CC=C1 MC41559 [1,0,0,0,0,0|0,0,0]=1 80 B10R1.28 CC(C)(C)C1=CC=CN=C1 MC430933 [1,0,0,0,0,0|1,0,0]=2 81 B10R1.28 CC(C)(C)C1=CC=NC=C1 CS10123 [1,0,0,0,0,0|1,0,0]=2 82 B10R1.28 CC(C)(N)C1=NC=CC=C1 MC430649 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.28 CC(C)(O)C1=NC=CC=C1 MC443311 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 MC100403 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 CS12052 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.28 C[Si](C)(C)C1=NC=CC=C1 MC445195 [1,0,0,0,0,0|1,1,0]=3 87 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 CS11135 [1,0,0,0,0,0|1,1,0]=3 88 B10R1.28 FC(F)(F)C1=CC=CC=C1 MC41418 [1,0,0,0,0,0|3,0,0]=4 89 B12R1.6 CC(C)(C)C1=CC=C(CCl)C=C1 MC445129 [0,1,0,0,0,0|1,0,0]=2 90 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 CS11191 [0,1,0,0,0,0|1,0,0]=2 91 B12R1.6 CC(C)(C)C1=NC=C(C=O)C=C1 MC106567 [0,1,0,0,0,0|1,0,1]=3 92 B12R1.6 CC(C)(N)C1=CC=C(C#N)C=C1 MC100044 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.6 CC(F)(F)C1=CC=C(C=O)C=C1 MC105908 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.6 CC(F)(F)C1=CC=C(CO)C=C1 MC106100 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 MC41350 [0,1,0,0,0,0|0,0,0]=1 96 B12R1.6 COC1=CC=C(C(F)(F)F)C=C1 CS22476 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.6 CS(=O)(=O)C1=CC=C(CO)C=C1 MC40723 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.6 OCC1=CC=C(C(F)(F)F)C=C1 MC40726 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.9 CC(C)(C#N)C1=CC=C(Br)C=C1 MC427077 [0,1,0,0,0,0|1,0,1]=3 100 B12R1.9 CC(C)(C#N)C1=CC=C(N)C=C1 CS12821 [0,1,0,0,0,0|1,0,1]=3 101 B12R1.9 CC(C)(CN)C1=CC=C(Br)C=C1 MC427286 [0,1,0,0,0,0|1,0,0]=2 102 B12R1.9 CC(C)(CN)C1=CC=C(I)C=C1 MC106337 [0,1,0,0,0,0|1,0,0]=2 103 B12R1.9 CCC(C)(C)C1=CC=C(O)C=C1 CS15993 [0,1,0,0,0,0|0,0,0]=1 104 B12R1.23 CC(C)(C)C1=CC(Br)=C(Br)C=C1 MC30100 [0,1,0,0,0,0|1,0,0]=2 105 B12R1.23 CC(C)(C)C1=CC(Br)=C(N)C=C1 MC30080 [0,1,0,0,0,0|1,0,0]=2 106 B12R1.23 CC(C)(C)C1=CC(Br)=C(O)C=C1 CS21367 [0,1,0,0,0,0|0,0,0]=1 107 B12R1.23 CC(C)(C)C1=CC(Cl)=C(Cl)C=C1 MC442288 [0,1,0,0,0,0|1,0,0]=2 108 B12R1.23 CC(C)(C)C1=CC(Cl)=C(N)C=C1 MC442101 [0,1,0,0,0,0|1,0,0]=2 109 B12R1.23 CC(C)(C)C1=CC(F)=C(Br)C=C1 MC106332 [0,1,0,0,0,0|1,0,0]=2 110 B12R1.23 CC(C)(C)C1=CC(I)=C(N)C=C1 MC442282 [0,1,0,0,0,0|1,0,0]=2 111 B12R1.23 CC(C)(C)C1=CC(N)=C(N)C=C1 MC433499 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.23 CC(C)(C)C1=CC(O)=C(Br)C=C1 MC441062 [0,1,0,0,0,0|1,0,0]=2 113 B12R1.23 CC1=C(N)C=C(C(C)(C)C)C=C1 MC442510 [0,1,0,0,0,0|1,0,0]=2 114 B12R1.23 CC1=C(O)C=CC(C(C)(C)C)=C1 CS10120 [0,1,0,0,0,0|0,0,0]=1 115 B12R1.23 NC1=C(O)C=CC(C(F)(F)F)=C1 CS21297 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.23 OC1=C(Br)C=C(C(F)(F)F)C=C1 CS19842 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.23 OC1=C(Cl)C=C(C(F)(F)F)C=C1 MC30034 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.23 OC1=C(F)C=C(C(F)(F)F)C=C1 MC430314 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.23 OC1=CC=C(C(F)(F)F)C=C1O MC442386 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.126 CC(C)(N)C1=C(F)C=C(Br)C=C1 MC107355 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.126 CC(C)(O)C1=C(Cl)C=C(Cl)N=C1 MC111580 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.126 CC1=CC(O)=C(C(C)(C)C)C=C1 MC41205 [0,1,0,0,0,0|1,0,0]=2 123 B12R1.126 CS(=O)(=O)C1=C(F)C=C(O)C=C1 MC111960 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.126 OC1=CC(Br)=C(C(F)(F)F)C=C1 MC429283 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.126 OC1=CC(Cl)=C(C(F)(F)F)C=C1 MC433370 [0,1,0,0,0,0|3,0,0]=4 126 B12R2.290 NC1(C2=NC=C(Br)C=C2)CC1 MC116272 [0,0,0,1,0,0|3,0,0]=4 127 B10R1.55 CC(C)(C)C1=CC(N)=NO1 CS19609 [0,0,0,0,1,0|3,0,0]=4 128 B10R1.55 CC(C)(C)C1=CC(N)=NS1 MC103758 [0,0,0,0,1,0|3,0,0]=4 129 B10R1.55 CC(C)(C)C1=COC(N)=N1 CS17175 [0,0,0,0,1,0|3,0,0]=4 130 B10R1.55 CC(C)(C)C1=NNC(N)=C1 CS19617 [0,0,0,0,1,0|3,0,0]=4 131 B10R1.55 CC(C)(C)C1=NOC(N)=C1 MC425521 [0,0,0,0,1,0|3,0,0]=4 132 B10R1.55 CC(C)(C)C1=NSC(N)=C1 MC116345 [0,0,0,0,1,0|3,0,0]=4 133 B10R1.55 CC(C)(C)N1C=C(N)C=N1 CS14667 [0,0,0,0,1,0|3,0,0]=4 134 B10R1.55 CC(C)(C)N1C=CC(N)=N1 MC431622 [0,0,0,0,1,0|3,0,0]=4 135 B10R1.55 C[Si](C)(C)C1=CC=C(Br)S1 MC443402 [0,0,0,0,1,0|2,1,0]=4 136 B12R1.106 CC(C)(C)OC1=CC=C(Br)C=C1 MC425493 [0,0,0,0,0,1|1,0,0]=2 137 B12R1.106 CC(C)(C)OC1=CC=C(Cl)C=C1 MC33068 [0,0,0,0,0,1|1,0,0]=2 138 B12R1.106 CC(C)(N)CC1=CC=C(F)C=C1 MC40988 [0,0,0,0,0,1|2,0,0]=3 139 B12R1.106 CC(C)(O)CC1=CC=C(Cl)C=C1 MC33349 [0,0,0,0,0,1|2,0,0]=3 140 B12R1.106 OC1=CC=C(OC(F)(F)F)C=C1 CS16066 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.1 BrCC1=CC=C(Br)C=C1 CS19166 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.1 BrCC1=CC=C(I)C=C1 CS20172 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.1 CC1=CC=C(CBr)C=C1 CS22969 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.1 CC1=CC=C(CCl)C=C1 MC40603 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.1 CC1=CC=C(CN)C=C1 CS22970 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.1 CC1=CC=C(CO)C=C1 CS19704 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.1 CCC1=CC=C(Br)C=C1 CS10865 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.1 CCC1=CC=C(F)C=C1 MC20965 [2,0,0,0,0,0|1,0,0]=3 149 B9R1.1 CCC1=CC=C(I)C=C1 MC20189 [2,0,0,0,0,0|1,0,0]=3 150 B9R1.1 CCC1=CC=C(N)C=C1 MC40912 [2,0,0,0,0,0|1,0,0]=3 151 B9R1.1 CCC1=CC=C(O)C=C1 MC20188 [2,0,0,0,0,0|0,0,0]=2 152 B9R1.1 CCC1=CN=C(Br)C=C1 CS13124 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.1 CCC1=CN=C(C)C=C1 MC20566 [2,0,0,0,0,0|2,0,0]=4 154 B9R1.1 CCC1=NC=C(Br)C=C1 CS12376 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.1 CNC1=CC=C(Cl)C=C1 MC40891 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.1 CNC1=CC=C(F)C=C1 MC40919 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.1 CNC1=CC=C(I)C=C1 CS22906 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.1 COC1=CC=C(Br)C=C1 MC41310 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.1 COC1=CC=C(Cl)C=C1 MC41327 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.1 COC1=CC=C(F)C=C1 MC30345 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.1 COC1=CC=C(I)C=C1 MC41342 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.1 COC1=CC=C(N)C=C1 CS18580 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.1 COC1=CC=C(O)C=C1 CS22939 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.1 COC1=CC=C(O)C=N1 CS19503 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.1 COC1=CC=C(S)C=C1 MC20380 [2,0,0,0,0,0|1,1,0]=4 166 B9R1.1 CSC1=CC=C(O)C=C1 MC20743 [2,0,0,0,0,0|1,0,0]=3 167 B9R1.1 ClC1=CC=C(CBr)C=C1 MC40527 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.1 ClCC1=CC=C(Br)C=C1 CS19167 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.1 ClCC1=CC=C(Cl)C=C1 CS19806 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.1 FC1=CC=C(CBr)C=C1 CS19071 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.1 FC1=CC=C(CCl)C=C1 MC429572 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.1 N#CC1=CC=C(O)C=C1 CS15887 [2,0,0,0,0,0|1,0,1]=4 173 B9R1.1 NC1=CC=C(CO)C=C1 MC33175 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.1 NCC1=CC=C(Br)C=C1 CS19587 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.1 NCC1=CC=C(Cl)C=C1 MC33031 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.1 NCC1=CC=C(F)C=C1 CS18721 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.1 NCC1=CC=C(I)C=C1 MC40836 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.1 NCC1=CC=C(I)C=C1 MC40837 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.1 NCC1=CC=C(O)C=C1 CS22886 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.1 O=CC1=CC=C(O)C=C1 CS18686 [2,0,0,0,0,0|1,0,1]=4 181 B9R1.1 OCC1=CC=C(Br)C=C1 CS19378 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.1 OCC1=CC=C(Cl)C=C1 CS19353 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.1 OCC1=CC=C(F)C=C1 MC40711 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.1 OCC1=CC=C(O)C=C1 CS19212 [2,0,0,0,0,0|1,0,0]=3 185 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [2,0,0,0,0,0|1,0,1]=4 186 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [2,0,0,0,0,0|1,0,0]=3 188 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [2,0,0,0,0,0|1,0,0]=3 193 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [2,0,0,0,0,0|1,0,0]=3 196 B9R1.6 CN(C)C1=CC=NC=C1 CS13386 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.6 ClC(Cl)C1=CC=CC=C1 MC40608 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.6 FC(F)C1=CC=CC=C1 MC41442 [2,0,0,0,0,0|2,0,0]=4 200 B11R1.3 C(C)(N)C1=CC=C(OC)C=C1 MC20521 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 MC20903 [1,1,0,0,0,0|0,0,2]=4 202 B11R1.3 CC(C)C1=CC=C(CBr)C=C1 CS14001 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.3 CC(C)C1=CCC(CO)C=C1 MC428335 [1,1,0,0,0,0|0,0,2]=4 204 B11R1.3 CC(N)C1=CC=C(C#N)C=C1 CS17346 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.3 CC(O)C1=CC=C(C#N)C=C1 CS10987 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.3 CN(C)C1=CC=C(C#N)C=C1 MC40651 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 CS13401 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.3 COC1=CC=C(C(C)=O)C=C1 MC41262 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.3 COC1=CC=C(C(C)C)C=C1 MC41346 [1,1,0,0,0,0|0,0,0]=2 210 B11R1.3 COC1=CC=C(C(C)N)C=C1 CS13954 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.3 COC1=CC=C(N(C)C)C=C1 MC20811 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.3 OCC1=CC=C(C(F)F)C=C1 MC102249 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 CS10813 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 CS10863 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.21 CC(C)C1=CC(I)=C(N)C=C1 MC112792 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.21 CC(C)C1=CC(O)=C(I)C=C1 MC443561 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.21 CC(C)C1=CC=C(N)C(N)=C1 MC107237 [1,1,0,0,0,0|1,0,0]=3 218 B11R1.21 CC(N)C1=CC(F)=C(Cl)C=C1 CS14514 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.21 CC(N)C1=CC(F)=C(Cl)C=C1 MC106197 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.21 CC(O)C1=CC(F)=C(F)C=C1 MC40732 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 MC433331 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 MC20541 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.21 CN(C)C1=CC(F)=C(I)C=C1 MC442229 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 MC427374 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 MC103018 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 MC427281 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.22 CC(CN)C1=CC=C(O)C=C1 MC116255 [1,1,0,0,0,0|0,0,0]=2 228 B11R1.22 CC(NN)C1=CC=C(Cl)C=C1 MC110625 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 CS15690 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 CS18281 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.22 COC(=O)C1=CC=C(O)C=C1 CS19446 [1,1,0,0,0,0|1,0,1]=4 232 B11R1.22 FC1=CC=C(C(Br)CBr)C=C1 MC430994 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 MC431262 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 CS10771 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 MC442284 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 CS21355 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 CS20824 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 CS16419 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 CS19678 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.166 CC(N)C1=C(F)C=C(Br)C=C1 MC106556 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.166 CC(O)C1=C(Cl)C=C(Cl)C=C1 MC40730 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.166 CC1=C(C(C)N)C=CC(F)=C1 MC112478 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.166 CC1=CC(Br)=C(C(C)N)C=C1 MC112224 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 MC425780 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.7 CC(Br)(CBr)C1=CC=NC=C1 MC111871 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 MC106429 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.7 OCC(F)(F)C1=CC=CC=C1 MC430789 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.87 CC(C)(C)C1=C(F)C=CC=C1 MC107238 [1,1,0,0,0,0|0,0,0]=2 249 B11R1.87 CC(C)(C)C1=C(N)C=CC=C1 CS21769 [1,1,0,0,0,0|0,0,0]=2 250 B11R1.87 CC(C)(C)C1=C(O)C=CC=C1 CS21771 [1,1,0,0,0,0|0,0,0]=2 251 B11R1.87 CC(C)(C)C1=NC=CC=C1O MC431053 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.87 CC(C)(C)C1=NC=NC=C1Br CS17290 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.87 CC1=C(C(C)(C)C)C=CC=C1 MC434015 [1,1,0,0,0,0|0,0,0]=2 254 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 MC114477 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.155 CC(C)(C)C1=CC(=O)C=CN1 MC106379 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.155 CC(C)(C)C1=CC(=O)C=CO1 MC106378 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.155 CC(C)(C)C1=CC(Br)=NC=C1 MC430325 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.155 CC(C)(C)C1=CC(Cl)=NC=C1 MC432172 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.155 CC(C)(C)C1=CC(O)=NC=N1 MC107287 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.155 CC(C)(C)C1=CC=CC(Br)=C1 MC442358 [1,1,0,0,0,0|0,0,0]=2 261 B11R1.155 CC(C)(C)C1=CC=CC(Br)=N1 MC106553 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.155 CC(C)(C)C1=CC=CC(N)=C1 CS11182 [1,1,0,0,0,0|0,0,0]=2 263 B11R1.155 CC(C)(C)C1=CC=CC(O)=N1 MC429684 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.155 CC(C)(C)C1=NC=CC(Br)=C1 MC33358 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.155 CC(C)(C)C1=NC=CC(Cl)=N1 CS12545 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.155 CC(C)(C)C1=NC=NC(Cl)=C1 MC107288 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.155 CC(C)(N)C1=CC(Br)=CN=C1 MC105194 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.155 CC(C)(N)C1=NC(Br)=CC=C1 MC111294 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.155 CC(C)(O)C1=CC=CC(O)=C1 MC105736 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.155 CC(C)(O)C1=NC(Br)=CC=C1 CS16576 [1,1,0,0,0,0|2,0,0]=4 271 B13R1.4 COC1=CC=C(CC(C)(C)N)C=C1 MC445286 [0,1,0,0,0,1|1,0,0]=3 272 B13R1.883 CC(C)(O)CC1=C(F)C=C(Cl)C=C1 MC111856 [0,1,0,0,0,1|2,0,0]=4 273 B13R1.38 CC(C)(C)C1=CC(O)=C(C#N)C=C1 MC441063 [0,2,0,0,0,0|1,0,0]=3 274 B13R1.38 COC1=C(Br)C=C(C(C)(C)C)C=C1 MC41324 [0,2,0,0,0,0|0,0,0]=2 275 B13R1.140 CC(C)(C)C1=CC=C(CC#N)C=C1 CS11700 [0,2,0,0,0,0|1,0,0]=3 276 B13R1.140 CC(C)(C)C1=CC=C(CCO)C=C1 MC40746 [0,2,0,0,0,0|0,0,0]=2 277 B13R1.140 CC(C)(C)C1=CC=C(N=C=S)C=C1 MC41077 [0,2,0,0,0,0|0,1,0]=3 278 B13R1.338 CC(=O)C1=CC=C(C(C)(C)C)N=C1 MC432307 [0,2,0,0,0,0|1,0,1]=4 279 B13R1.338 CC(C)(C)C1=CC=C(B(O)O)C=C1 CS10031 [0,2,0,0,0,0|0,0,0]=2 280 B13R1.338 CC(C)(C)C1=CC=C(C(=N)N)C=C1 MC111862 [0,2,0,0,0,0|1,0,0]=3 281 B13R1.338 CC(C)(C)C1=CC=C(C(=O)O)C=C1 CS16421 [0,2,0,0,0,0|0,0,0]=2 282 B13R1.338 CC(C)(C)C1=CC=C(C(N)=S)C=C1 CS10081 [0,2,0,0,0,0|0,1,0]=3 283 B13R1.338 CC(C)(C)C1=CN=C(C(=O)O)C=N1 MC121201 [0,2,0,0,0,0|2,0,0]=4 284 B13R1.338 CC(C)(O)C1=CC=C(B(O)O)C=N1 MC114149 [0,2,0,0,0,0|2,0,0]=4 285 B13R1.338 CC(C)(O)C1=CN=C(B(O)O)C=C1 MC115202 [0,2,0,0,0,0|2,0,0]=4 286 B13R1.338 CC(F)(F)C1=CC=C(C(=O)O)C=C1 MC102233 [0,2,0,0,0,0|2,0,0]=4 287 B13R1.50 CC(C)(C)C1=CC(C=O)=C(O)C=C1 MC20887 [0,2,0,0,0,0|0,0,0]=2 288 B13R1.7922 CC(C)(C)C1=CC(Br)=C(O)C(Br)=C1 MC41178 [0,2,0,0,0,0|0,0,0]=2 289 B13R1.53 CC(C)(C)C1=C(CO)C=C(N)C=C1 MC430342 [0,2,0,0,0,0|1,0,0]=3 290 B11R2.34 BrC1=CC=C(C2CC2)C=C1 CS22811 [1,0,0,1,0,0|1,0,0]=3 291 B11R2.34 BrC1=NC=C(C2CC2)C=C1 MC442244 [1,0,0,1,0,0|2,0,0]=4 292 B11R2.34 CC1=CC=C(C2CO2)C=C1 MC112355 [1,0,0,1,0,0|2,0,0]=4 293 B11R2.34 NC1=CC=C(C2CC2)C=C1 CS17100 [1,0,0,1,0,0|1,0,0]=3 294 B11R2.40 BrC1(C2=NC=CC=C2)CC1 MC431657 [1,0,0,1,0,0|2,0,0]=4 295 B11R2.40 NC1(C2=CC=CC=C2)CC1 MC425296 [1,0,0,1,0,0|1,0,0]=3 296 B11R2.40 NC1(C2=NC=CC=C2)CC1 MC115574 [1,0,0,1,0,0|2,0,0]=4 297 B13R2.2988 OC1=CC=C(C2CC2(Cl)Cl)C=C1 MC114419 [0,0,0,1,0,1|2,0,0]=4 298 B13R2.3051 CC1(C)CC2=C(C=C(Cl)C=C2)O1 MC111857 [0,0,0,1,0,1|2,0,0]=4 299 B13R2.3051 CC1(C)OC2=C(C=C(N)C=C2)O1 MC443246 [0,0,0,1,0,1|2,0,0]=4 300 B13R2.186 N#CC1=CC=C(C2(N)CC2)C=C1 CS17519 [0,1,0,1,0,0|2,0,0]=4 301 B13R2.102 N#CC1(C2=CC=C(Cl)C=C2)CC1 CS11291 [0,1,0,1,0,0|1,0,1]=4 302 B13R2.102 NCC1(C2=CC=C(I)C=C2)CC1 MC106338 [0,1,0,1,0,0|1,0,0]=3 303 B13R2.2986 CC1=CC=C(C2(N)COC2)C=C1 MC102483 [0,1,0,1,0,0|2,0,0]=4 304 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CCC1 CS12829 [0,1,0,1,0,0|2,0,0]=4 305 B13R2.2986 NC1(C2=CC=C(Br)C=C2)COC1 MC102460 [0,1,0,1,0,0|2,0,0]=4 306 B13R2.2986 NC1(C2=CC=C(Cl)C=C2)COC1 MC115763 [0,1,0,1,0,0|2,0,0]=4 307 B13R2.2986 NC1(C2=CC=C(I)C=C2)COC1 MC102477 [0,1,0,1,0,0|2,0,0]=4 308 B13R2.2986 OC1(C2=CC=C(Br)C=C2)COC1 MC102170 [0,1,0,1,0,0|2,0,0]=4 309 B13R2.3108 CC1(C)CNC2=CC(Br)=CC=C21 MC111387 [0,1,0,1,0,0|1,0,0]=3 310 B13R2.3108 CC1(C)CNC2=CC(N)=CC=C21 MC104413 [0,1,0,1,0,0|1,0,0]=3 311 B13R2.3108 CC1(C)NCC2=CC(Br)=CC=C21 MC104389 [0,1,0,1,0,0|1,0,0]=3 312 B13R2.3125 NC1(C2=C(Br)C=C(Cl)C=C2)CC1 MC102505 [0,1,0,1,0,0|2,0,0]=4 313 B13R2.3125 NC1(C2=C(Cl)C=C(Cl)C=C2)CC1 MC106818 [0,1,0,1,0,0|2,0,0]=4 314 B13R2.3125 OC1(C2=C(F)C=C(Br)C=C2)CC1 MC430164 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.19 CC(C)(C)C1=CNN=C1 MC106501 [1,0,0,0,1,0|2,0,0]=4 316 B9R1.19 C[Pt](C)(C)C1C=CC=C1 MC115087 [1,0,0,0,1,0|1,0,1]=4 317 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 MC433485 [1,0,0,0,0,1|1,0,0]=3 318 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 MC443740 [1,0,0,0,0,1|1,0,0]=3 319 B11R1.20 CC(C)NC1=CC=C(F)C=C1 CS22842 [1,0,0,0,0,1|1,0,0]=3 320 B11R1.20 CC(C)OC1=CC=C(N)C=C1 CS10912 [1,0,0,0,0,1|1,0,0]=3 321 B11R1.20 CC(C)OC1=CC=C(O)C=C1 MC443483 [1,0,0,0,0,1|0,0,0]=2 322 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 MC443766 [1,0,0,0,0,1|2,0,0]=4 323 B11R1.20 CC(C)SC1=CC=C(O)C=C1 MC112512 [1,0,0,0,0,1|0,0,0]=2 324 B11R1.20 OC1=CC=C(OC(F)F)C=C1 MC41182 [1,0,0,0,0,1|2,0,0]=4 325 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CS11014 [1,0,0,0,0,1|1,0,0]=3 326 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 MC20424 [1,0,0,0,0,1|1,0,0]=3 327 B13R1.512 C[Si](C)(C)C#CC1=CC=C(Br)C=C1 MC442570 [0,0,0,0,0,2|1,1,0]=4 328 B13R1.512 C[Si](C)(C)C#CC1=CC=C(O)C=C1 MC114231 [0,0,0,0,0,2|0,1,0]=3