0 B6R0.6 CCC\C=C\C=O HR127670 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.6 CCC\C=C\CO HR127397 [0,0,0,0,0,0|0,0,4]=4 2 B6R0.6 CCO\C=C\C#N HR109030 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.6 CC\C=C\CCO HR100849 [0,0,0,0,0,0|0,0,4]=4 4 B6R0.6 CC\C=C\CCO HR130305 [0,0,0,0,0,0|0,0,4]=4 5 B6R0.6 C\C=C\C=C\C=O HR122495 [0,0,0,0,0,0|0,0,0]=0 6 B6R0.6 C\C=C\C=C\CO HR126927 [0,0,0,0,0,0|0,0,2]=2 7 B6R0.6 C\C=C\CCCC HR145495 [0,0,0,0,0,0|1,0,3]=4 8 B6R0.6 C\C=C\CCCO HR110400 [0,0,0,0,0,0|0,0,4]=4 9 B6R0.6 C\C=C\CCCO HR111291 [0,0,0,0,0,0|0,0,4]=4 10 B6R0.6 O=CCCCC=O HR141217 [0,0,0,0,0,0|1,0,3]=4 11 B6R0.6 O=CO[Co]OC=O HR143707 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.6 O=CO[Cu]OC=O HR117180 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.2 C=CCCC=C HR145060 [1,0,0,0,0,0|0,0,3]=4 14 B5R0.2 C=CCSSC HR124486 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 C=COCCC HR122922 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.2 CCO\C=C\Br ATXF02514 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.2 CC\C=C\C=O HR111713 [1,0,0,0,0,0|0,0,1]=2 18 B5R0.2 CC\C=C\C=O HR139459 [1,0,0,0,0,0|0,0,1]=2 19 B5R0.2 CC\C=C\CBr HR102032 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.2 CO\C=C\C#N HR122816 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.2 C\C=C\CCC HR121014 [1,0,0,0,0,0|0,0,3]=4 22 B5R0.2 C\C=C\OCC HR128979 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.2 O=CCCC=O HR100601 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.2 O=CNNC=O HR123173 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.1 CCCC\C=C\C=O HR129000 [0,1,0,0,0,0|0,0,2]=3 26 B7R0.1 CC\C=C\C=C\C=O HR130022 [0,1,0,0,0,0|0,0,0]=1 27 B7R0.3 COC(=O)CCC=O HR116651 [0,1,0,0,0,0|1,0,2]=4 28 B7R0.3 COC(=O)\C=C\CBr HR131230 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.3 CO\C=C\C(=O)OC HR100409 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.3 CO\C=C\C(=O)OC HR123737 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.3 C\C=C\CC(=O)OC HR127455 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.4 C=C\C=C\OC(C)=O HR141489 [0,1,0,0,0,0|1,0,1]=3 33 B7R0.4 CCC\C=C\C(C)=O HR30170 [0,1,0,0,0,0|0,0,2]=3 34 B7R0.4 CCO\C=C\C(=O)Cl HR144705 [0,1,0,0,0,0|1,0,1]=3 35 B7R0.4 CCO\C=C\C(=O)O HR20958 [0,1,0,0,0,0|1,0,1]=3 36 B7R0.4 CC\C=C\CC(=O)O HR109903 [0,1,0,0,0,0|0,0,2]=3 37 B7R0.4 C\C=C\C=C\C(=O)O HR125524 [0,1,0,0,0,0|0,0,0]=1 38 B7R0.4 C\C=C\C=C\C(=O)[O-] HR124997 [0,1,0,0,0,0|0,0,0]=1 39 B7R0.4 C\C=C\C=C\C(=O)[O-] HR125264 [0,1,0,0,0,0|0,0,0]=1 40 B7R0.7 C=COC(=O)\C=C\C HR129020 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.7 CCOC(=O)\C=C\I HR11670 [0,1,0,0,0,0|2,0,1]=4 42 B7R1.1 BrCC1=CC=CS1 HR107794 [0,0,0,1,0,0|1,1,1]=4 43 B7R1.1 Br[Mg]c1cccs1 HR115567 [0,0,0,1,0,0|2,1,0]=4 44 B7R1.1 C#CC1=CC=CS1 HR115815 [0,0,0,1,0,0|0,1,2]=4 45 B7R1.1 C=CC1=CC=CS1 HR127371 [0,0,0,1,0,0|0,1,1]=3 46 B7R1.1 CCC1=CC=CO1 HR125873 [0,0,0,1,0,0|0,0,2]=3 47 B7R1.1 CCC1=CC=CS1 HR111385 [0,0,0,1,0,0|0,1,1]=3 48 B7R1.1 CCC1=CSC=C1 HR124094 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.1 CCC1=NC=CN1 HR15972 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.1 CCC1=NC=CS1 HR130841 [0,0,0,1,0,0|1,1,1]=4 51 B7R1.1 CCN1C=CC=C1 HR125020 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.1 CCN1C=CC=N1 HR102255 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.1 CNC1=CN=CO1 HR119721 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.1 CNC1=COC=N1 HR112378 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.1 CNC1=NC=CS1 HR148142 [0,0,0,1,0,0|2,1,0]=4 56 B7R1.1 COC1=CC=CS1 HR128854 [0,0,0,1,0,0|1,1,0]=3 57 B7R1.1 COC1=CSC=C1 HR138278 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.1 COC1=NC=CS1 HR146614 [0,0,0,1,0,0|2,1,0]=4 59 B7R1.1 CSC1=CC=CS1 HR119424 [0,0,0,1,0,0|1,1,0]=3 60 B7R1.1 CSC1=CSC=C1 HR153189 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.1 ClCC1=CC=CS1 HR130983 [0,0,0,1,0,0|1,1,1]=4 62 B7R1.1 N#CC1=CC=CN1 HR131195 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.1 N#CC1=CC=CO1 HR105593 [0,0,0,1,0,0|1,0,2]=4 64 B7R1.1 N#CC1=CC=CS1 HR127173 [0,0,0,1,0,0|1,1,1]=4 65 B7R1.1 NCC1=CC=CN1 HR148675 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.1 NCC1=CC=CS1 HR128270 [0,0,0,1,0,0|1,1,1]=4 67 B7R1.1 O=CC1=CC=CN1 HR133248 [0,0,0,1,0,0|1,0,0]=2 68 B7R1.1 O=CC1=CC=CO1 HR147284 [0,0,0,1,0,0|1,0,0]=2 69 B7R1.1 O=CC1=CCSC1 HR113279 [0,0,0,1,0,0|1,0,1]=3 70 B7R1.1 O=CC1=CN=CO1 HR120030 [0,0,0,1,0,0|2,0,0]=3 71 B7R1.1 O=CC1=CN=CS1 HR127222 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.1 O=CC1=CNC=C1 HR129921 [0,0,0,1,0,0|1,0,1]=3 73 B7R1.1 O=CC1=CNC=N1 HR30081 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.1 O=CC1=CNN=C1 HR110621 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.1 O=CC1=COC=C1 HR125211 [0,0,0,1,0,0|1,0,1]=3 76 B7R1.1 O=CC1=COC=N1 HR107552 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.1 O=CC1=CON=C1 HR119632 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.1 O=CC1=CSC=C1 HR126177 [0,0,0,1,0,0|1,0,1]=3 79 B7R1.1 O=CC1=CSC=N1 HR31792 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.1 O=CC1=NC=CN1 HR137026 [0,0,0,1,0,0|2,0,0]=3 81 B7R1.1 O=CC1=NC=CO1 HR119983 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.1 O=CC1=NC=CS1 HR136906 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.1 O=CC1=NNC=C1 HR114992 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.1 O=CC1=NOC=C1 HR109323 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.1 O=CN1C=CN=C1 HR113111 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.1 O=C[C-]1C=CC=C1 HR128771 [0,0,0,1,0,0|0,0,2]=3 87 B7R1.1 O=Cc1cccs1 HR125923 [0,0,0,1,0,0|1,0,0]=2 88 B7R1.1 O=Cc1csnn1 HR104769 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.1 OCC1=CC=CO1 HR147620 [0,0,0,1,0,0|1,0,2]=4 90 B7R1.1 OCC1=CC=CS1 HR136423 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.1 SCC1=CC=CS1 HR139099 [0,0,0,1,0,0|1,1,1]=4 92 B7R1.3 BrC1=CC=CN=C1 HR2571 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.3 BrC1=CC=CN=N1 HR117966 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.3 BrC1=CC=NC=C1 HR118403 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.3 BrC1=CC=NC=C1 HR2589 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.3 BrC1=NC=CC=C1 RESA03406 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.3 BrC1=NC=CC=N1 HR30059 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.3 BrC1=NC=CN=C1 HR132508 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.3 BrC1=NC=NC=C1 HR103345 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.3 CC1=CC=CC=C1 HR141847 [0,0,0,1,0,0|1,0,0]=2 101 B7R1.3 CC1=CC=CN=N1 HR118859 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.3 CC1=CC=NC=C1 ABXF00108 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.3 CC1=CCC=CC1 HR142661 [0,0,0,1,0,0|1,0,1]=3 104 B7R1.3 CC1=CN=CN=C1 HR7207 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.3 CC1=CN=NC=C1 HR131519 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.3 CC1=NC=CC=C1 HR147066 [0,0,0,1,0,0|1,0,0]=2 107 B7R1.3 CC1=NC=CC=N1 HR127988 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.3 CC1=NC=CN=C1 HR129440 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.3 CC1=NC=NC=C1 HR134623 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.3 C[N+]1=CC=CC=C1 HR122704 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.3 Cc1ccccn1 HR136839 [0,0,0,1,0,0|1,0,0]=2 112 B7R1.3 ClC1=CC=CN=C1 HR124464 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.3 ClC1=CC=CN=N1 HR133355 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.3 ClC1=CC=NC=C1 HR128632 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.3 ClC1=CC=NC=C1 HR129409 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.3 ClC1=NC=CC=C1 HR13200 [0,0,0,1,0,0|2,0,0]=3 117 B7R1.3 ClC1=NC=CC=N1 HR30058 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.3 ClC1=NC=CN=C1 HR128895 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.3 ClC1=NC=NC=C1 HR133073 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.3 Clc1ccncn1 HR109086 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.3 FC1=CC=CC=C1 HR147055 [0,0,0,1,0,0|1,0,1]=3 122 B7R1.3 FC1=CC=CN=C1 HR1095 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.3 FC1=CC=NC=C1 HR125607 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.3 FC1=CC=NC=C1 HR138558 [0,0,0,1,0,0|2,0,1]=4 125 B7R1.3 FC1=NC=CC=C1 HR1094 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.3 FC1=NC=CN=C1 HR117339 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.3 FC1=NC=NC=C1 HR112589 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.3 F[N+]1=CC=CC=C1 HR105617 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.3 IC1=CC=CC=C1 HR127846 [0,0,0,1,0,0|1,0,1]=3 130 B7R1.3 IC1=CC=CN=C1 HR131442 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.3 IC1=CC=NC=C1 HR131041 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.3 IC1=NC=CC=C1 HR126390 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.3 IC1=NC=CC=N1 HR110089 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.3 IC1=NC=CN=C1 HR119189 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.3 IC1=NC=NC=C1 HR32418 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.3 NC1=CC=CC=C1 HR145297 [0,0,0,1,0,0|1,0,1]=3 137 B7R1.3 NC1=CC=CC=C1 SESA05504 [0,0,0,1,0,0|1,0,1]=3 138 B7R1.3 NC1=CC=CN=C1 HR146968 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.3 NC1=CC=CN=N1 HR113456 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.3 NC1=CC=NC=C1 HR1281 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.3 NC1=NC=CC=C1 HR146971 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.3 NC1=NC=CC=N1 HR129899 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.3 NC1=NC=CN=C1 HR124249 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.3 NC1=NC=NC=C1 HR30433 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.3 NN1C=CN=CC1 HR116274 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.3 N[N+]1=CC=CC=C1 HR116598 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.3 Nc1cccnn1 HR130751 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.3 O=C1C=CC=NN1 HR137023 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.3 O=C1C=CCCC1 HR146309 [0,0,0,1,0,0|0,0,2]=3 150 B7R1.3 OC1=CC=CN=C1 HR133674 [0,0,0,1,0,0|1,0,2]=4 151 B7R1.3 OC1=CC=NC=C1 HR133943 [0,0,0,1,0,0|1,0,2]=4 152 B7R1.3 OC1=NC=CC=C1 HR104705 [0,0,0,1,0,0|1,0,1]=3 153 B7R1.3 OC1=NC=CC=C1 HR133405 [0,0,0,1,0,0|1,0,1]=3 154 B7R1.3 OC1=NC=CC=N1 HR127441 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.3 OC1=NC=CN=C1 HR119328 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.3 OC1=NC=NC=C1 HR102860 [0,0,0,1,0,0|2,0,1]=4 157 B7R1.3 OC1=NC=NC=C1 HR130946 [0,0,0,1,0,0|2,0,1]=4 158 B7R1.3 OC1=NC=NC=C1 HR146538 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.3 Oc1ccccc1 HR122962 [0,0,0,1,0,0|0,0,2]=3 160 B7R1.3 PC1=CC=CC=C1 HR104634 [0,0,0,1,0,0|1,0,1]=3 161 B7R1.3 SC1=CC=NC=C1 HR124309 [0,0,0,1,0,0|1,1,1]=4 162 B7R1.3 SC1=NC=CC=C1 HR115477 [0,0,0,1,0,0|1,1,0]=3 163 B7R1.3 SC1=NC=CC=C1 HR136528 [0,0,0,1,0,0|1,1,0]=3 164 B7R1.3 SC1=NC=CC=N1 HR127715 [0,0,0,1,0,0|2,1,0]=4 165 B7R1.3 [Li]C1=CC=CC=C1 INSA03510 [0,0,0,1,0,0|1,0,1]=3 166 B7R1.3 [O-][N+]1=CC=CC=C1 HR130224 [0,0,0,1,0,0|1,0,2]=4 167 B7R1.3 [S-]C1=CC=CC=C1 HR111290 [0,0,0,1,0,0|0,1,1]=3 168 B7R1.3 [Si]C1=CC=CC=C1 HR144112 [0,0,0,1,0,0|1,0,1]=3 169 B7R1.4 BrC1=C(Br)SC=C1 HR129845 [0,0,0,1,0,0|3,0,0]=4 170 B7R1.4 BrC1=CSC=C1Br HR5510 [0,0,0,1,0,0|3,0,0]=4 171 B7R1.4 BrC1=CSC=C1I HR34025 [0,0,0,1,0,0|3,0,0]=4 172 B7R1.4 CC1=C(Br)C=CS1 HR128369 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.4 CC1=C(Br)C=NO1 HR120798 [0,0,0,1,0,0|3,0,0]=4 174 B7R1.4 CC1=C(Br)NC=N1 HR109319 [0,0,0,1,0,0|3,0,0]=4 175 B7R1.4 CC1=C(Br)SC=C1 HR5191 [0,0,0,1,0,0|2,0,0]=3 176 B7R1.4 CC1=C(C)NC=N1 HR8044 [0,0,0,1,0,0|3,0,0]=4 177 B7R1.4 CC1=C(C)ON=C1 HR105616 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.4 CC1=C(C)SC=N1 HR135526 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.4 CC1=C(Cl)SC=C1 HR130722 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.4 CC1=C(I)C=NO1 HR103358 [0,0,0,1,0,0|3,0,0]=4 181 B7R1.4 CC1=C(N)C=NO1 HR112122 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.4 CC1=C(S)C=CO1 HR127105 [0,0,0,1,0,0|1,1,0]=3 183 B7R1.4 CC1=C(S)C=CO1 HR138863 [0,0,0,1,0,0|1,1,0]=3 184 B7R1.4 CC1=C(S)C=CS1 HR109926 [0,0,0,1,0,0|1,1,0]=3 185 B7R1.4 CC1=CC=NN1C HR125646 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.4 CC1=CCCC1=O HR114448 [0,0,0,1,0,0|0,0,2]=3 187 B7R1.4 CC1=CNN=C1C HR107041 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.4 CC1=CSC=C1Br HR30444 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.4 CC1=CSC=C1C HR112647 [0,0,0,1,0,0|2,0,0]=3 190 B7R1.4 CC1=CSC=C1N HR106606 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.4 CC1=NC=CN1C HR128907 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.4 CC1=NNC=C1Br HR131439 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.4 CC1=NNC=C1I HR131707 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.4 CN1C=CN=C1Br HR30218 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.4 CN1C=CN=C1Cl HR135994 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.4 CN1C=CN=C1I HR31950 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.4 CN1C=NC=C1Cl HR128630 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.4 CN1C=NC=C1I HR146540 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.4 CN1N=CC=C1Br HR103779 [0,0,0,1,0,0|3,0,0]=4 200 B7R1.4 CN1N=CC=C1I HR109583 [0,0,0,1,0,0|3,0,0]=4 201 B7R1.4 CN1N=CC=C1N HR120280 [0,0,0,1,0,0|3,0,0]=4 202 B7R1.4 CN1N=CC=C1O HR119356 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.4 CN1SC=CC1=O HR137410 [0,0,0,1,0,0|2,0,0]=3 204 B7R1.4 ClC1=C(Br)C=CS1 HR31859 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.4 ClC1=C(Br)SC=C1 HR32396 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.4 ClC1=C(Cl)SC=C1 HR133504 [0,0,0,1,0,0|3,0,0]=4 207 B7R1.4 Cn1cncc1Cl HR129895 [0,0,0,1,0,0|3,0,0]=4 208 B7R1.4 FC1=CNC=C1F HR109768 [0,0,0,1,0,0|3,0,0]=4 209 B7R1.4 NC1=CSC=C1N HR102649 [0,0,0,1,0,0|3,0,0]=4 210 B7R1.4 O=C1CCC=C1O HR148600 [0,0,0,1,0,0|1,0,2]=4 211 B7R1.4 O=C1OCC=C1Br HR102966 [0,0,0,1,0,0|2,0,1]=4 212 B7R1.4 OC1=CSC=C1O HR121295 [0,0,0,1,0,0|2,0,1]=4 213 B4R0.2 C=CCOC HR111200 [2,0,0,0,0,0|1,0,1]=4 214 B4R0.2 C=CCSC HR122911 [2,0,0,0,0,0|1,0,1]=4 215 B4R0.2 C=COCC CESA03009 [2,0,0,0,0,0|1,0,1]=4 216 B4R0.2 CCNC=O HR104364 [2,0,0,0,0,0|1,0,1]=4 217 B4R0.2 CC\C=C\Br HR114361 [2,0,0,0,0,0|1,0,1]=4 218 B4R0.2 CSCC=O HR129243 [2,0,0,0,0,0|1,0,1]=4 219 B4R0.2 C\C=C\C#N HR148236 [2,0,0,0,0,0|1,0,1]=4 220 B4R0.2 C\C=C\CC HR121335 [2,0,0,0,0,0|0,0,2]=4 221 B4R0.2 C\C=C\CC HR121956 [2,0,0,0,0,0|0,0,2]=4 222 B4R0.2 C\C=C\CCl HR130392 [2,0,0,0,0,0|1,0,1]=4 223 B4R0.2 C\C=C\CN HR109640 [2,0,0,0,0,0|1,0,1]=4 224 B4R0.2 C\C=C\OC HR102446 [2,0,0,0,0,0|1,0,1]=4 225 B6R0.1 C=CC(=O)CCC HR100488 [1,1,0,0,0,0|0,0,2]=4 226 B6R0.1 C=COC(=O)CC HR145643 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.1 CCOC(=O)C=O HR130872 [1,1,0,0,0,0|1,0,1]=4 228 B6R0.1 COC(=O)\C=C\N HR109927 [1,1,0,0,0,0|2,0,0]=4 229 B6R0.1 C\C=C\C(=O)CC HR108073 [1,1,0,0,0,0|0,0,2]=4 230 B6R0.4 C=CCCC(=O)Cl HR106043 [1,1,0,0,0,0|0,0,2]=4 231 B6R0.4 C=CCCC(=O)O HR128583 [1,1,0,0,0,0|0,0,2]=4 232 B6R0.4 C=CCOC(C)=S HR100810 [1,1,0,0,0,0|1,0,1]=4 233 B6R0.4 CC(C)=NNC=O HR117540 [1,1,0,0,0,0|2,0,0]=4 234 B6R0.4 CN(C)\C=C\C=O HR126291 [1,1,0,0,0,0|1,0,0]=3 235 B6R0.4 CO\C=C\C(C)=O HR138997 [1,1,0,0,0,0|1,0,0]=3 236 B8R0.1 CCOC(=O)\C=C\C=O HR120200 [0,2,0,0,0,0|0,0,1]=3 237 B8R0.4 CCCCC\C=C\C=O HR133342 [0,2,0,0,0,0|0,0,2]=4 238 B8R0.4 CCC\C=C\C=C\C=O HR129261 [0,2,0,0,0,0|0,0,0]=2 239 B8R0.4 CCC\C=C\C=C\C=O HR144535 [0,2,0,0,0,0|0,0,0]=2 240 B8R0.4 CC\C=C\CCOC=O HR127818 [0,2,0,0,0,0|0,0,2]=4 241 B8R0.6 CCC\C=C\C(=O)OC HR101945 [0,2,0,0,0,0|0,0,2]=4 242 B8R0.6 CCC\C=C\C(=O)OC HR138885 [0,2,0,0,0,0|0,0,2]=4 243 B8R0.6 C\C=C\C=C\C(=O)OC HR126101 [0,2,0,0,0,0|0,0,0]=2 244 B8R0.9 COC(=O)\C=C\C(=O)O MOJB01402 [0,2,0,0,0,0|1,0,0]=3 245 B8R0.9 COC(=O)\C=C\C(=O)[O-] HR129866 [0,2,0,0,0,0|1,0,0]=3 246 B8R0.9 COC(=O)\C=C\C(=O)[O-] MOJB014 [0,2,0,0,0,0|1,0,0]=3 247 B8R0.9 NNC(=O)\C=C\C(=O)O HR123077 [0,2,0,0,0,0|2,0,0]=4 248 B8R0.11 CCC\C=C(/C=O)CC HR103170 [0,2,0,0,0,0|0,0,2]=4 249 B8R0.28 CC(=O)CCC=C(C)C HR127537 [0,2,0,0,0,0|0,0,2]=4 250 B8R0.28 CC(=O)C\C=C\C(=O)O HR110909 [0,2,0,0,0,0|0,0,1]=3 251 B8R0.28 CC(=O)OCC=C(C)C HR128839 [0,2,0,0,0,0|1,0,1]=4 252 B8R0.28 CC(=O)\C=C\C=C(C)C HR115321 [0,2,0,0,0,0|0,0,0]=2 253 B8R0.28 CN(C)C\C=C\C(=O)O HR112008 [0,2,0,0,0,0|1,0,1]=4 254 B8R0.28 CN(C)C\C=C\C(=O)O HR138898 [0,2,0,0,0,0|1,0,1]=4 255 B6R1.1 C1=CC=NC=C1 HR107448 [1,0,0,1,0,0|1,0,0]=3 256 B6R1.1 C1=CC=NC=C1 HR119168 [1,0,0,1,0,0|1,0,0]=3 257 B6R1.1 C1=CC=NC=C1 HR132217 [1,0,0,1,0,0|1,0,0]=3 258 B6R1.1 C1=CC=NC=C1 HR136497 [1,0,0,1,0,0|1,0,0]=3 259 B6R1.1 C1=CC=NC=C1 HR147704 [1,0,0,1,0,0|1,0,0]=3 260 B6R1.1 C1=CC=[NH+]C=C1 HR136866 [1,0,0,1,0,0|1,0,0]=3 261 B6R1.1 C1=CC=[NH+]C=C1 HR15908 [1,0,0,1,0,0|1,0,0]=3 262 B6R1.1 C1=CCCC=C1 HR147137 [1,0,0,1,0,0|0,0,1]=3 263 B6R1.1 C1=CN=CC=N1 HR16607 [1,0,0,1,0,0|2,0,0]=4 264 B6R1.1 C1=CN=CN=C1 HR132250 [1,0,0,1,0,0|2,0,0]=4 265 B6R1.1 C1=CN=NC=C1 HR105144 [1,0,0,1,0,0|2,0,0]=4 266 B6R1.1 c1ccccc1 HR143507 [1,0,0,1,0,0|0,0,1]=3 267 B6R1.1 c1ccncc1 HR140272 [1,0,0,1,0,0|1,0,0]=3 268 B6R1.2 BrC1=CC=CO1 HR132225 [1,0,0,1,0,0|1,0,1]=4 269 B6R1.2 BrC1=CC=CS1 HR34180 [1,0,0,1,0,0|1,1,0]=4 270 B6R1.2 BrC1=CNC=C1 HR106799 [1,0,0,1,0,0|2,0,0]=4 271 B6R1.2 BrC1=COC=C1 HR8830 [1,0,0,1,0,0|2,0,0]=4 272 B6R1.2 BrC1=CSC=C1 HR126013 [1,0,0,1,0,0|2,0,0]=4 273 B6R1.2 CC1=CC=CN1 HR147294 [1,0,0,1,0,0|1,0,0]=3 274 B6R1.2 CC1=CC=CS1 HR131866 [1,0,0,1,0,0|0,1,0]=3 275 B6R1.2 CC1=CC=NN1 HR10442 [1,0,0,1,0,0|2,0,0]=4 276 B6R1.2 CC1=CC=NO1 HR131159 [1,0,0,1,0,0|1,0,1]=4 277 B6R1.2 CC1=CN=CS1 HR128769 [1,0,0,1,0,0|1,1,0]=4 278 B6R1.2 CC1=CNC=C1 HR13921 [1,0,0,1,0,0|1,0,0]=3 279 B6R1.2 CC1=CNC=N1 HR7153 [1,0,0,1,0,0|2,0,0]=4 280 B6R1.2 CC1=CNN=C1 HR13055 [1,0,0,1,0,0|2,0,0]=4 281 B6R1.2 CC1=COC=C1 HR125178 [1,0,0,1,0,0|1,0,0]=3 282 B6R1.2 CC1=COC=N1 HR121299 [1,0,0,1,0,0|2,0,0]=4 283 B6R1.2 CC1=CSC=N1 HR132874 [1,0,0,1,0,0|2,0,0]=4 284 B6R1.2 CC1=NC=CN1 HR135019 [1,0,0,1,0,0|2,0,0]=4 285 B6R1.2 CC1=NC=CS1 HR128073 [1,0,0,1,0,0|1,1,0]=4 286 B6R1.2 CC1=NNC=C1 HR13253 [1,0,0,1,0,0|2,0,0]=4 287 B6R1.2 CC1=NOC=C1 HR104498 [1,0,0,1,0,0|2,0,0]=4 288 B6R1.2 CC1=NSC=C1 HR105128 [1,0,0,1,0,0|2,0,0]=4 289 B6R1.2 CN1C=CC=C1 HR131584 [1,0,0,1,0,0|1,0,0]=3 290 B6R1.2 CN1C=CC=N1 HR128244 [1,0,0,1,0,0|2,0,0]=4 291 B6R1.2 CN1C=CN=C1 HR134754 [1,0,0,1,0,0|2,0,0]=4 292 B6R1.2 ClC1=CC=CS1 HR130520 [1,0,0,1,0,0|1,1,0]=4 293 B6R1.2 ClC1=CSC=C1 HR130789 [1,0,0,1,0,0|2,0,0]=4 294 B6R1.2 FC1=CC=CS1 HR116433 [1,0,0,1,0,0|1,1,0]=4 295 B6R1.2 IC1=CC=CS1 HR133352 [1,0,0,1,0,0|1,1,0]=4 296 B6R1.2 IC1=CSC=C1 HR131727 [1,0,0,1,0,0|2,0,0]=4 297 B6R1.2 NC1=CC=CN1 HR107433 [1,0,0,1,0,0|2,0,0]=4 298 B6R1.2 NC1=CC=CS1 HR102647 [1,0,0,1,0,0|1,1,0]=4 299 B6R1.2 NC1=CSC=C1 HR102995 [1,0,0,1,0,0|2,0,0]=4 300 B6R1.2 NN1C=CC=C1 HR12475 [1,0,0,1,0,0|2,0,0]=4 301 B6R1.2 Nc1ccsc1 HR114587 [1,0,0,1,0,0|2,0,0]=4 302 B6R1.2 O=C1C=CCC1 HR136753 [1,0,0,1,0,0|0,0,1]=3 303 B6R1.2 O=C1C=CCO1 HR119486 [1,0,0,1,0,0|1,0,1]=4 304 B6R1.2 O=C1C=CON1 HR31911 [1,0,0,1,0,0|2,0,0]=4 305 B6R1.2 O=C1C=CSN1 HR146483 [1,0,0,1,0,0|2,0,0]=4 306 B6R1.2 O=C1CC=CC1 HR111189 [1,0,0,1,0,0|0,0,1]=3 307 B6R1.2 O=C1OC=CO1 HR128933 [1,0,0,1,0,0|2,0,0]=4 308 B6R1.2 OC1=CNC=C1 HR106486 [1,0,0,1,0,0|1,0,1]=4 309 B6R1.2 SC1=CC=CS1 HR128217 [1,0,0,1,0,0|1,1,0]=4 310 B6R1.2 SC1=CSC=C1 HR103982 [1,0,0,1,0,0|1,1,0]=4 311 B6R1.2 [TlH2]C1C=CC=C1 HR101871 [1,0,0,1,0,0|1,0,1]=4 312 B6R1.2 [Zr+3]C1C=CC=C1 HR100500 [1,0,0,1,0,0|1,0,1]=4 313 B8R1.2 BrCC1=CC=CN=C1 HR108717 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.2 BrCC1=CC=CN=C1 HR121556 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.2 BrCC1=CC=CN=N1 HR104831 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.2 BrCC1=CC=NC=C1 HR112538 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.2 BrCC1=CC=NC=C1 HR120923 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.2 BrCC1=NC=CC=C1 HR121865 [0,1,0,1,0,0|1,0,0]=3 319 B8R1.2 BrCC1=NC=CN=C1 HR116592 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.2 BrCc1ccccn1 HR121394 [0,1,0,1,0,0|1,0,0]=3 321 B8R1.2 Br[Mg]C1=NC=CC=C1 OLSA05204 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.2 C#CC1=CC=CC=C1 HR146973 [0,1,0,1,0,0|1,0,1]=4 323 B8R1.2 C#CC1=NC=CC=C1 HR119587 [0,1,0,1,0,0|1,0,1]=4 324 B8R1.2 C=CC1=CC=CN=C1 HR114859 [0,1,0,1,0,0|1,0,1]=4 325 B8R1.2 C=CC1=NC=CN=C1 HR138193 [0,1,0,1,0,0|1,0,1]=4 326 B8R1.2 C=NC1=CC=CC=C1 HR101539 [0,1,0,1,0,0|1,0,1]=4 327 B8R1.2 CCC1=CC=CN=N1 HR120566 [0,1,0,1,0,0|1,0,1]=4 328 B8R1.2 CCC1=NC=CN=C1 HR127547 [0,1,0,1,0,0|1,0,1]=4 329 B8R1.2 CC[N+]1=CC=CC=C1 HR122454 [0,1,0,1,0,0|1,0,1]=4 330 B8R1.2 CC[n+]1ccccc1 HR122718 [0,1,0,1,0,0|1,0,1]=4 331 B8R1.2 CNC1=CC=CN=C1 HR129985 [0,1,0,1,0,0|2,0,0]=4 332 B8R1.2 CNC1=CC=NC=C1 HR110286 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.2 CNC1=NC=CC=N1 HR114686 [0,1,0,1,0,0|2,0,0]=4 334 B8R1.2 CNc1ccccc1 HR100457 [0,1,0,1,0,0|1,0,0]=3 335 B8R1.2 COC1=CC=CCC1 HR140042 [0,1,0,1,0,0|0,0,2]=4 336 B8R1.2 COC1=CC=CN=C1 HR32267 [0,1,0,1,0,0|2,0,0]=4 337 B8R1.2 COC1=CC=CN=N1 HR105981 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.2 COC1=CC=NC=C1 HR125268 [0,1,0,1,0,0|2,0,0]=4 339 B8R1.2 COC1=NC=CC=C1 HR126716 [0,1,0,1,0,0|1,0,0]=3 340 B8R1.2 COC1=NC=CN=C1 HR126989 [0,1,0,1,0,0|2,0,0]=4 341 B8R1.2 CSC1=CC=CC=C1 HR122762 [0,1,0,1,0,0|1,0,0]=3 342 B8R1.2 CSC1=NC=CC=C1 HR131827 [0,1,0,1,0,0|1,0,0]=3 343 B8R1.2 CSC1=NC=CN=C1 HR124880 [0,1,0,1,0,0|2,0,0]=4 344 B8R1.2 C[Si]C1=CC=CC=C1 HR105191 [0,1,0,1,0,0|1,0,0]=3 345 B8R1.2 ClCC1=CC=CN=C1 HR119663 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.2 ClCC1=CC=CN=C1 HR130796 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.2 ClCC1=NC=CC=C1 HR129737 [0,1,0,1,0,0|1,0,0]=3 348 B8R1.2 ClCC1=NC=CC=C1 HR135031 [0,1,0,1,0,0|1,0,0]=3 349 B8R1.2 ClCC1=NC=CC=N1 ELXM02404 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.2 ClCC1=NC=CC=N1 HR133860 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.2 ClCC1=NC=CN=C1 HR116912 [0,1,0,1,0,0|2,0,0]=4 352 B8R1.2 ClCC1=NC=NC=C1 HR108647 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.2 ClCc1ccncc1 HR131056 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.2 Cl[Mg]C1=CC=CC=C1 HR115046 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.2 ICC1=CC=CN=C1 HR112683 [0,1,0,1,0,0|2,0,0]=4 356 B8R1.2 I[Mg]c1ccccc1 HR107979 [0,1,0,1,0,0|1,0,1]=4 357 B8R1.2 N#CC1=NC=CC=C1 HR122345 [0,1,0,1,0,0|1,0,1]=4 358 B8R1.2 N#Cc1ccccc1 HR128200 [0,1,0,1,0,0|1,0,1]=4 359 B8R1.2 N#Cc1ccccc1 HR128467 [0,1,0,1,0,0|1,0,1]=4 360 B8R1.2 NCC1=CC=CN=C1 HR131367 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.2 NCC1=CC=NC=C1 HR119360 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.2 NCC1=CC=NC=C1 HR146144 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.2 NCC1=NC=CC=C1 HR136467 [0,1,0,1,0,0|1,0,0]=3 364 B8R1.2 NCC1=NC=CC=N1 HR102349 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.2 NCC1=NC=CC=N1 HR115583 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.2 NCC1=NC=CN=C1 HR105402 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.2 NCC1=NC=CN=C1 HR119571 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.2 NCC1=NC=NC=C1 HR109749 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.2 NCc1ccccc1 HR129185 [0,1,0,1,0,0|1,0,0]=3 370 B8R1.2 NNC1=CC=CC=C1 HR126212 [0,1,0,1,0,0|1,0,1]=4 371 B8R1.2 NNC1=NC=CC=C1 HR111958 [0,1,0,1,0,0|2,0,0]=4 372 B8R1.2 NNc1ccccc1 HR146770 [0,1,0,1,0,0|1,0,1]=4 373 B8R1.2 NOC1=CC=CC=C1 HR113378 [0,1,0,1,0,0|0,0,2]=4 374 B8R1.2 O=CC1=CC=CC=C1 PLSA00402 [0,1,0,1,0,0|0,0,1]=3 375 B8R1.2 O=CC1=CC=CN=C1 HR123179 [0,1,0,1,0,0|0,0,1]=3 376 B8R1.2 O=CC1=CC=NC=C1 HR123122 [0,1,0,1,0,0|0,0,1]=3 377 B8R1.2 O=CC1=CCCCC1 HR124654 [0,1,0,1,0,0|0,0,2]=4 378 B8R1.2 O=CC1=CCCOC1 HR106218 [0,1,0,1,0,0|0,0,2]=4 379 B8R1.2 O=CC1=CN=CN=C1 HR135692 [0,1,0,1,0,0|1,0,1]=4 380 B8R1.2 O=CC1=CN=NC=C1 HR119931 [0,1,0,1,0,0|1,0,1]=4 381 B8R1.2 O=CC1=NC=CC=C1 HR135399 [0,1,0,1,0,0|0,0,1]=3 382 B8R1.2 O=CC1=NC=CC=N1 HR129551 [0,1,0,1,0,0|1,0,0]=3 383 B8R1.2 O=CC1=NC=CN=C1 HR110626 [0,1,0,1,0,0|1,0,0]=3 384 B8R1.2 O=CC1=NC=NC=C1 HR115485 [0,1,0,1,0,0|1,0,0]=3 385 B8R1.2 OCC1=CC=CC=C1 HR129716 [0,1,0,1,0,0|1,0,0]=3 386 B8R1.2 OCC1=CC=CN=C1 ENJL01103 [0,1,0,1,0,0|2,0,0]=4 387 B8R1.2 OCC1=CC=CN=N1 HR116608 [0,1,0,1,0,0|2,0,0]=4 388 B8R1.2 OCC1=CC=NC=C1 HR122855 [0,1,0,1,0,0|2,0,0]=4 389 B8R1.2 OCC1=CC=NC=C1 HR142772 [0,1,0,1,0,0|2,0,0]=4 390 B8R1.2 OCC1=NC=CC=C1 HR136134 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.2 OCC1=NC=CC=N1 HR128826 [0,1,0,1,0,0|2,0,0]=4 392 B8R1.2 OCC1=NC=CN=C1 HR132253 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.2 OCC1=NC=NC=C1 HR110347 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.2 SCC1=NC=CC=C1 HR129844 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.2 SCC1=NC=CN=C1 HR122647 [0,1,0,1,0,0|2,0,0]=4 396 B8R1.2 [Na]Cc1ccccc1 HR100698 [0,1,0,1,0,0|1,0,0]=3 397 B8R1.5 BrC1=C(Br)C=CC=C1 HR147058 [0,1,0,1,0,0|1,0,1]=4 398 B8R1.5 BrC1=C(Br)C=NC=C1 HR114426 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.5 BrC1=C(I)C=CC=C1 HR139833 [0,1,0,1,0,0|1,0,1]=4 400 B8R1.5 BrC1=C(I)C=CC=C1 HR2278 [0,1,0,1,0,0|1,0,1]=4 401 B8R1.5 BrC1=C(I)C=CN=C1 HR121175 [0,1,0,1,0,0|2,0,0]=4 402 B8R1.5 BrC1=C(I)C=NC=C1 HR107930 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.5 BrC1=CC=CN=C1Br HR5402 [0,1,0,1,0,0|2,0,0]=4 404 B8R1.5 BrC1=CC=CN=C1I HR111152 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.5 BrC1=NC=CC=C1I HR111010 [0,1,0,1,0,0|2,0,0]=4 406 B8R1.5 CC1=C(Br)C=CC=C1 HR3834 [0,1,0,1,0,0|1,0,0]=3 407 B8R1.5 CC1=C(Br)C=CN=C1 HR136743 [0,1,0,1,0,0|1,0,0]=3 408 B8R1.5 CC1=C(Br)C=NC=C1 HR3994 [0,1,0,1,0,0|1,0,0]=3 409 B8R1.5 CC1=C(Cl)C=CN=C1 HR123542 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.5 CC1=C(Cl)C=CN=C1 HR9218 [0,1,0,1,0,0|1,0,0]=3 411 B8R1.5 CC1=C(Cl)C=NC=C1 HR110950 [0,1,0,1,0,0|1,0,0]=3 412 B8R1.5 CC1=C(Cl)N=NC=C1 HR105674 [0,1,0,1,0,0|2,0,0]=4 413 B8R1.5 CC1=C(F)C=CN=C1 HR110786 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.5 CC1=C(F)C=NC=C1 HR9251 [0,1,0,1,0,0|1,0,0]=3 415 B8R1.5 CC1=C(I)C=CC=C1 HR130478 [0,1,0,1,0,0|1,0,0]=3 416 B8R1.5 CC1=C(N)C=CN=C1 HR1119 [0,1,0,1,0,0|1,0,0]=3 417 B8R1.5 CC1=C(N)C=NC=C1 HR1278 [0,1,0,1,0,0|1,0,0]=3 418 B8R1.5 CC1=C(O)C=NC=C1 HR115514 [0,1,0,1,0,0|0,0,1]=3 419 B8R1.5 CC1=CC=CC=[N+]1[O-] HR122610 [0,1,0,1,0,0|0,0,1]=3 420 B8R1.5 CC1=CC=CN=C1Br HR9208 [0,1,0,1,0,0|1,0,0]=3 421 B8R1.5 CC1=CC=CN=C1C HR133818 [0,1,0,1,0,0|1,0,0]=3 422 B8R1.5 CC1=CC=CN=C1Cl HR123809 [0,1,0,1,0,0|1,0,0]=3 423 B8R1.5 CC1=CC=CN=C1F HR3992 [0,1,0,1,0,0|1,0,0]=3 424 B8R1.5 CC1=CC=CN=C1I HR138350 [0,1,0,1,0,0|1,0,0]=3 425 B8R1.5 CC1=CC=CN=C1N HR131109 [0,1,0,1,0,0|1,0,0]=3 426 B8R1.5 CC1=CC=CN=C1O HR8871 [0,1,0,1,0,0|0,0,1]=3 427 B8R1.5 CC1=CC=CNC1=O HR101557 [0,1,0,1,0,0|0,0,0]=2 428 B8R1.5 CC1=CC=NNC1=O HR110974 [0,1,0,1,0,0|1,0,0]=3 429 B8R1.5 CC1=CN=CN=C1Br HR148130 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.5 CC1=CN=CN=C1Cl HR116131 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.5 CC1=CN=CN=C1N HR107095 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.5 CC1=CN=CNC1=O HR109493 [0,1,0,1,0,0|1,0,0]=3 433 B8R1.5 CC1=NC=CC=C1Br HR1220 [0,1,0,1,0,0|1,0,0]=3 434 B8R1.5 CC1=NC=CC=C1Cl HR115515 [0,1,0,1,0,0|1,0,0]=3 435 B8R1.5 CC1=NC=CC=C1F HR105446 [0,1,0,1,0,0|1,0,0]=3 436 B8R1.5 CC1=NC=CC=C1I HR112363 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.5 CC1=NC=CC=C1N HR135664 [0,1,0,1,0,0|1,0,0]=3 438 B8R1.5 CC1=NC=CC=C1O HR6626 [0,1,0,1,0,0|0,0,1]=3 439 B8R1.5 CC1=NC=CN=C1Br HR116581 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.5 CC1=NC=CN=C1C HR136586 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.5 CC1=NC=CN=C1Cl HR2149 [0,1,0,1,0,0|2,0,0]=4 442 B8R1.5 CC1=NC=CN=C1N HR33319 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.5 CC1=NC=CN=C1O HR33318 [0,1,0,1,0,0|1,0,1]=4 444 B8R1.5 CC1=NC=NC=C1Br HR17240 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.5 CC1=NC=NC=C1Cl HR147077 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.5 CC1=NC=NC=C1I HR148219 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.5 CC1=NC=NC=C1N HR33990 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.5 C[N+]1=C(Cl)C=CC=C1 HR122254 [0,1,0,1,0,0|1,0,0]=3 449 B8R1.5 Cc1cccc[n+]1N HR140760 [0,1,0,1,0,0|1,0,0]=3 450 B8R1.5 Cc1cccnc1N HR111705 [0,1,0,1,0,0|1,0,0]=3 451 B8R1.5 Cc1cnccc1Br HR6889 [0,1,0,1,0,0|1,0,0]=3 452 B8R1.5 Cc1cnccc1O HR110964 [0,1,0,1,0,0|0,0,1]=3 453 B8R1.5 ClC1=C(Br)C=CC=C1 HR122937 [0,1,0,1,0,0|1,0,1]=4 454 B8R1.5 ClC1=C(Br)C=CN=C1 HR1288 [0,1,0,1,0,0|2,0,0]=4 455 B8R1.5 ClC1=C(Br)C=NC=C1 HR110876 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.5 ClC1=C(Br)C=NC=C1 HR136506 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.5 ClC1=C(Cl)C=CC=C1 HR147133 [0,1,0,1,0,0|1,0,1]=4 458 B8R1.5 ClC1=C(Cl)C=NC=C1 HR6613 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.5 ClC1=C(I)C=CC=C1 HR134316 [0,1,0,1,0,0|1,0,1]=4 460 B8R1.5 ClC1=C(I)C=CN=C1 HR115934 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.5 ClC1=C(I)C=NC=C1 HR114568 [0,1,0,1,0,0|2,0,0]=4 462 B8R1.5 ClC1=CC=CN=C1Br HR135714 [0,1,0,1,0,0|2,0,0]=4 463 B8R1.5 ClC1=CC=CN=C1Cl HR1198 [0,1,0,1,0,0|2,0,0]=4 464 B8R1.5 ClC1=CC=CN=C1I HR114262 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.5 ClC1=NC=CC=C1Br HR1098 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.5 ClC1=NC=CC=C1I HR1188 [0,1,0,1,0,0|2,0,0]=4 467 B8R1.5 FC1=C(Br)C=CC=C1 HR128872 [0,1,0,1,0,0|1,0,1]=4 468 B8R1.5 FC1=C(Br)C=CN=C1 HR118861 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.5 FC1=C(Br)C=CN=C1 HR146607 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.5 FC1=C(Br)C=NC=C1 HR105209 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.5 FC1=C(Cl)C=CC=C1 HR147074 [0,1,0,1,0,0|1,0,1]=4 472 B8R1.5 FC1=C(Cl)C=CN=C1 HR116813 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.5 FC1=C(Cl)C=CN=C1 HR151181 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.5 FC1=C(Cl)C=NC=C1 HR113476 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.5 FC1=C(F)C=CC=C1 HR147134 [0,1,0,1,0,0|1,0,1]=4 476 B8R1.5 FC1=C(F)C=NC=C1 HR104480 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.5 FC1=C(I)C=CC=C1 HR137773 [0,1,0,1,0,0|1,0,1]=4 478 B8R1.5 FC1=C(I)C=CN=C1 HR32035 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.5 FC1=C(S)C=CC=C1 HR141832 [0,1,0,1,0,0|0,1,1]=4 480 B8R1.5 FC1=CC=CN=C1Br HR107454 [0,1,0,1,0,0|2,0,0]=4 481 B8R1.5 FC1=CC=CN=C1Cl HR2532 [0,1,0,1,0,0|2,0,0]=4 482 B8R1.5 FC1=CC=CN=C1F HR136989 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.5 FC1=CC=CN=C1I HR118160 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.5 FC1=NC=CC=C1Br HR3008 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.5 FC1=NC=CC=C1Cl HR129122 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.5 FC1=NC=CC=C1I HR122170 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.5 IC1=C(I)C=CC=C1 HR125859 [0,1,0,1,0,0|1,0,1]=4 488 B8R1.5 IC1=CC=CN=C1I HR153025 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.5 NC1=C(Br)C=CC=C1 HR146980 [0,1,0,1,0,0|1,0,1]=4 490 B8R1.5 NC1=C(Br)C=CN=C1 HR131448 [0,1,0,1,0,0|2,0,0]=4 491 B8R1.5 NC1=C(Br)C=NC=C1 HR135412 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.5 NC1=C(Cl)C=CC=C1 HR106496 [0,1,0,1,0,0|1,0,1]=4 493 B8R1.5 NC1=C(Cl)C=CC=C1 HR147059 [0,1,0,1,0,0|1,0,1]=4 494 B8R1.5 NC1=C(Cl)C=CN=C1 HR132779 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.5 NC1=C(Cl)C=NC=C1 HR122419 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.5 NC1=C(F)C=CC=C1 LECQ00905 [0,1,0,1,0,0|1,0,1]=4 497 B8R1.5 NC1=C(F)C=NC=C1 HR1261 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.5 NC1=C(I)C=CC=C1 HR132618 [0,1,0,1,0,0|1,0,1]=4 499 B8R1.5 NC1=C(I)C=CN=C1 HR6681 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.5 NC1=C(I)C=NC=C1 HR131803 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.5 NC1=C(N)C=NC=C1 HR1295 [0,1,0,1,0,0|2,0,0]=4 502 B8R1.5 NC1=C(O)C=CC=C1 HR147260 [0,1,0,1,0,0|0,0,2]=4 503 B8R1.5 NC1=C(O)C=CN=C1 HR135148 [0,1,0,1,0,0|1,0,1]=4 504 B8R1.5 NC1=C(O)C=NC=C1 HR137347 [0,1,0,1,0,0|1,0,1]=4 505 B8R1.5 NC1=CC=CN=C1Br HR136257 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.5 NC1=CC=CN=C1Cl HR137306 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.5 NC1=CC=CN=C1F HR137001 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.5 NC1=CC=CN=C1I HR111116 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.5 NC1=CC=CN=C1N HR1296 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.5 NC1=CC=CN=C1O HR136029 [0,1,0,1,0,0|1,0,1]=4 511 B8R1.5 NC1=CC=CN=C1O HR146499 [0,1,0,1,0,0|1,0,1]=4 512 B8R1.5 NC1=CC=CNC1=S HR115011 [0,1,0,1,0,0|1,1,0]=4 513 B8R1.5 NC1=CC=NNC1=O HR108870 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.5 NC1=CN=CNC1=O HR110134 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.5 NC1=NC=CC=C1Br HR133830 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.5 NC1=NC=CC=C1Cl HR136804 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.5 NC1=NC=CC=C1F HR2976 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.5 NC1=NC=CC=C1I HR123494 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.5 NC1=NC=CC=C1O LOXF02404 [0,1,0,1,0,0|1,0,1]=4 520 B8R1.5 NC1=NC=CC=C1S HR106679 [0,1,0,1,0,0|1,1,0]=4 521 B8R1.5 Nc1ccccc1O HR125449 [0,1,0,1,0,0|0,0,2]=4 522 B8R1.5 O=C1C=CNC=C1Cl HR120402 [0,1,0,1,0,0|1,0,0]=3 523 B8R1.5 O=C1C=CNC=C1F HR117421 [0,1,0,1,0,0|1,0,0]=3 524 B8R1.5 O=C1NC=CC=C1I HR34029 [0,1,0,1,0,0|1,0,0]=3 525 B8R1.5 O=C1NC=NC=C1O HR112688 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.5 OC1=C(Br)C=CC=C1 HR3841 [0,1,0,1,0,0|0,0,2]=4 527 B8R1.5 OC1=C(Br)C=CN=C1 HR156106 [0,1,0,1,0,0|1,0,1]=4 528 B8R1.5 OC1=C(Br)C=CN=C1 HR33276 [0,1,0,1,0,0|1,0,1]=4 529 B8R1.5 OC1=C(Br)C=NC=C1 HR33455 [0,1,0,1,0,0|1,0,1]=4 530 B8R1.5 OC1=C(Cl)C=CN=C1 HR114294 [0,1,0,1,0,0|1,0,1]=4 531 B8R1.5 OC1=C(F)C=CC=C1 HR2313 [0,1,0,1,0,0|0,0,2]=4 532 B8R1.5 OC1=C(I)C=CC=C1 HR3963 [0,1,0,1,0,0|0,0,2]=4 533 B8R1.5 OC1=C(I)C=CN=C1 HR118943 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.5 OC1=C(I)C=CN=C1 HR155923 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.5 OC1=C(I)C=NC=C1 HR116257 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.5 OC1=C(O)C=NC=C1 HR113174 [0,1,0,1,0,0|1,0,1]=4 537 B8R1.5 OC1=C(S)C=CC=C1 HR132747 [0,1,0,1,0,0|0,0,2]=4 538 B8R1.5 OC1=CC=CN=C1Br HR134806 [0,1,0,1,0,0|1,0,1]=4 539 B8R1.5 OC1=CC=CN=C1Cl HR134272 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.5 OC1=CC=CN=C1F HR124057 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.5 OC1=CC=CN=C1I HR140442 [0,1,0,1,0,0|1,0,1]=4 542 B8R1.5 OC1=CC=CN=C1O HR125001 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.5 OC1=NC=CC=C1Br HR30714 [0,1,0,1,0,0|1,0,1]=4 544 B8R1.5 OC1=NC=CC=C1Cl HR123544 [0,1,0,1,0,0|1,0,1]=4 545 B8R1.5 OC1=NC=CC=C1F HR138044 [0,1,0,1,0,0|1,0,1]=4 546 B8R1.5 On1ccccc1=S HR138699 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.5 SC1=C(Br)C=CC=C1 HR127539 [0,1,0,1,0,0|0,1,1]=4 548 B8R1.5 SC1=C(Cl)C=CC=C1 HR133114 [0,1,0,1,0,0|0,1,1]=4 549 B8R1.5 SC1=CC=CC=C1S HR141898 [0,1,0,1,0,0|0,1,1]=4 550 B8R1.5 [O-][N+]1=C(Br)C=CC=C1 HR131892 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.5 [O-][N+]1=C(Br)C=CC=C1 HR144356 [0,1,0,1,0,0|1,0,1]=4 552 B8R1.5 [O-][N+]1=C(Cl)C=CC=C1 HR105386 [0,1,0,1,0,0|1,0,1]=4 553 B8R1.5 [O-][N+]1=C(Cl)C=CC=C1 HR125974 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.5 [O-][N+]1=CC=CC=C1O HR137775 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.5 [O-][N+]1=CC=CC=C1S HR138434 [0,1,0,1,0,0|1,0,1]=4 556 B8R1.5 [O-][n+]1ccccc1Br HR142800 [0,1,0,1,0,0|1,0,1]=4 557 B8R1.5 [O-][n+]1ccccc1[S-] HR128926 [0,1,0,1,0,0|1,0,1]=4 558 B8R1.8 BrCCC1=CC=CS1 HR139597 [0,1,0,1,0,0|0,1,1]=4 559 B8R1.8 CCCc1cccs1 HR132275 [0,1,0,1,0,0|0,1,1]=4 560 B8R1.8 CNCC1=CC=CS1 HR110963 [0,1,0,1,0,0|0,1,1]=4 561 B8R1.8 CNCC1=CC=CS1 HR117241 [0,1,0,1,0,0|0,1,1]=4 562 B8R1.8 COCC1=CC=CS1 HR153359 [0,1,0,1,0,0|0,1,1]=4 563 B8R1.8 CSCC1=CC=CO1 HR129428 [0,1,0,1,0,0|0,0,2]=4 564 B8R1.8 ClCCC1=CC=CS1 HR118860 [0,1,0,1,0,0|0,1,1]=4 565 B8R1.8 NCCC1=CC=CO1 HR118527 [0,1,0,1,0,0|0,0,2]=4 566 B8R1.8 NCCC1=CC=CS1 HR127239 [0,1,0,1,0,0|0,1,1]=4 567 B8R1.8 O=C=NC1=CC=CS1 HR115610 [0,1,0,1,0,0|1,0,1]=4 568 B8R1.8 O=CCC1=CC=CS1 HR104291 [0,1,0,1,0,0|1,0,0]=3 569 B8R1.8 OCCC1=CC=CS1 HR126977 [0,1,0,1,0,0|0,1,1]=4 570 B8R1.8 O\N=C\C1=CC=CS1 HR153327 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.11 BrCC1=C(Br)SC=C1 HR120061 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.11 C=CC1=C(C)N=CS1 HR133643 [0,1,0,1,0,0|2,0,0]=4 573 B8R1.11 CC1=C(C#N)SC=C1 HR109626 [0,1,0,1,0,0|1,0,1]=4 574 B8R1.11 CC1=C(C=O)C=CS1 HR115938 [0,1,0,1,0,0|0,0,0]=2 575 B8R1.11 CC1=C(C=O)N=CN1 HR133580 [0,1,0,1,0,0|1,0,0]=3 576 B8R1.11 CC1=C(C=O)SC=C1 HR134756 [0,1,0,1,0,0|0,0,0]=2 577 B8R1.11 CC1=C(C=O)SC=N1 HR127636 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.11 CC1=C(CN)SC=C1 HR120374 [0,1,0,1,0,0|1,0,1]=4 579 B8R1.11 CC1=C(CO)SC=C1 HR109280 [0,1,0,1,0,0|0,0,2]=4 580 B8R1.11 CC1=NNC=C1C=O HR106740 [0,1,0,1,0,0|1,0,0]=3 581 B8R1.11 CN1C=CC=C1C#N HR122409 [0,1,0,1,0,0|1,0,1]=4 582 B8R1.11 CN1C=CC=C1C=O HR138984 [0,1,0,1,0,0|0,0,0]=2 583 B8R1.11 CN1C=CN=C1C=O HR135997 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.11 CN1C=NC=C1C=O HR138042 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.11 CN1N=CC=C1C=O HR16289 [0,1,0,1,0,0|1,0,0]=3 586 B8R1.11 CSC1=C(Br)C=CS1 HR153246 [0,1,0,1,0,0|1,1,0]=4 587 B8R1.11 CSC1=C(C)OC=C1 HR141531 [0,1,0,1,0,0|1,1,0]=4 588 B8R1.11 Cc1ccsc1[Mg]Br HR119679 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.11 ClC1=C(CBr)C=CS1 HR103236 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.11 ClCC1=C(Cl)SC=C1 HR138550 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.11 NC1=C(C=O)OC=C1 HR116880 [0,1,0,1,0,0|1,0,0]=3 592 B8R1.11 O=CC1=C(Br)C=CO1 HR117201 [0,1,0,1,0,0|1,0,0]=3 593 B8R1.11 O=CC1=C(Br)C=CS1 HR5327 [0,1,0,1,0,0|1,0,0]=3 594 B8R1.11 O=CC1=C(Br)N=CS1 HR153349 [0,1,0,1,0,0|2,0,0]=4 595 B8R1.11 O=CC1=C(Br)SC=C1 HR30217 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.11 O=CC1=C(Cl)C=CS1 HR120922 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.11 O=CC1=C(Cl)N=CS1 HR147434 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.11 O=CC1=C(Cl)SC=C1 HR32524 [0,1,0,1,0,0|1,0,0]=3 599 B8R1.11 O=CC1=C(I)SC=C1 HR34058 [0,1,0,1,0,0|1,0,0]=3 600 B8R1.11 O=CC1=CSC=C1Br HR30656 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.11 OCC1=C(Br)SC=C1 HR31821 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.22 O=C1C=CCCCC1 HR146270 [0,1,0,1,0,0|0,0,2]=4 603 B8R1.49 C1=CCCC=CCC1 HR106080 [0,1,0,1,0,0|1,0,1]=4 604 B8R1.49 C1=CCCC=CCC1 HR106857 [0,1,0,1,0,0|1,0,1]=4 605 B8R1.49 C1=CCCC=CCC1 HR107557 [0,1,0,1,0,0|1,0,1]=4 606 B8R1.49 C1=CCCC=CCC1 HR119511 [0,1,0,1,0,0|1,0,1]=4 607 B8R1.49 C1=CCCC=CCC1 HR120534 [0,1,0,1,0,0|1,0,1]=4 608 B8R1.49 C1=CCCC=CCC1 HR126489 [0,1,0,1,0,0|1,0,1]=4 609 B8R1.49 C1=CCCC=CCC1 HR127023 [0,1,0,1,0,0|1,0,1]=4 610 B8R1.49 C1=CCCC=CCC1 HR127502 [0,1,0,1,0,0|1,0,1]=4 611 B8R1.49 C1=CCCC=CCC1 HR132834 [0,1,0,1,0,0|1,0,1]=4 612 B8R1.49 C1=CCCC=CCC1 HR134129 [0,1,0,1,0,0|1,0,1]=4 613 B8R1.49 C1=CCCC=CCC1 HR139211 [0,1,0,1,0,0|1,0,1]=4 614 B8R1.49 C1=CCCC=CCC1 HR142018 [0,1,0,1,0,0|1,0,1]=4 615 B8R1.1 CC1=CC(C=O)=CS1 HR33855 [0,1,0,1,0,0|1,0,0]=3 616 B8R1.1 CC1=CC(C=O)=NO1 HR103093 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.1 CC1=CC=C(C=O)O1 HR131275 [0,1,0,1,0,0|0,0,0]=2 618 B8R1.1 CC1=CC=C(C=O)S1 HR5205 [0,1,0,1,0,0|0,0,0]=2 619 B8R1.1 CC1=CC=C(CN)S1 HR103044 [0,1,0,1,0,0|1,0,1]=4 620 B8R1.1 CC1=CC=C(CO)O1 HR141630 [0,1,0,1,0,0|0,0,2]=4 621 B8R1.1 CC1=CN=C(C=O)N1 HR107317 [0,1,0,1,0,0|1,0,0]=3 622 B8R1.1 CC1=CN=C(C=O)S1 HR147497 [0,1,0,1,0,0|1,0,0]=3 623 B8R1.1 CC1=CSC(C=O)=C1 HR153184 [0,1,0,1,0,0|1,0,0]=3 624 B8R1.1 CC1=NC(C=O)=CO1 RESA02603 [0,1,0,1,0,0|1,0,0]=3 625 B8R1.1 CC1=NC(C=O)=CS1 HR105709 [0,1,0,1,0,0|1,0,0]=3 626 B8R1.1 CC1=NC=C(C=O)N1 HR108199 [0,1,0,1,0,0|1,0,0]=3 627 B8R1.1 CC1=NC=C(C=O)S1 HR121283 [0,1,0,1,0,0|1,0,0]=3 628 B8R1.1 CC1=NOC(C=O)=C1 HR108689 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.1 CCC1=CC=C(C)S1 HR107230 [0,1,0,1,0,0|0,1,1]=4 630 B8R1.1 CN1C=C(C=O)C=N1 HR33686 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.1 CN1C=CC(C=O)=N1 HR115618 [0,1,0,1,0,0|1,0,0]=3 632 B8R1.1 CN1C=NC(C=O)=C1 HR107566 [0,1,0,1,0,0|2,0,0]=4 633 B8R1.1 CSC1=CC(Br)=CS1 HR153247 [0,1,0,1,0,0|1,1,0]=4 634 B8R1.1 CSC1=CC(C)=CS1 HR153245 [0,1,0,1,0,0|1,1,0]=4 635 B8R1.1 CSC1=CC=C(Br)S1 HR153255 [0,1,0,1,0,0|1,1,0]=4 636 B8R1.1 CSC1=CC=C(C)O1 HR132044 [0,1,0,1,0,0|1,0,1]=4 637 B8R1.1 Cc1csc(C=O)n1 HR121106 [0,1,0,1,0,0|1,0,0]=3 638 B8R1.1 NC1=NC=C(C=O)S1 HR115929 [0,1,0,1,0,0|2,0,0]=4 639 B8R1.1 NC1=NC=C(C=O)S1 HR147253 [0,1,0,1,0,0|2,0,0]=4 640 B8R1.1 O=CC1=CC(Br)=CN1 HR148549 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.1 O=CC1=CC(Br)=CO1 HR121241 [0,1,0,1,0,0|1,0,0]=3 642 B8R1.1 O=CC1=CC(Br)=CS1 HR127267 [0,1,0,1,0,0|1,0,0]=3 643 B8R1.1 O=CC1=CC(Br)=NO1 HR147340 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.1 O=CC1=CC=C(Br)O1 HR139603 [0,1,0,1,0,0|1,0,0]=3 645 B8R1.1 O=CC1=CC=C(Br)S1 HR132790 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.1 O=CC1=CC=C(Cl)S1 HR104946 [0,1,0,1,0,0|1,0,0]=3 647 B8R1.1 O=CC1=CC=C(I)O1 HR117581 [0,1,0,1,0,0|1,0,0]=3 648 B8R1.1 O=CC1=CN=C(Cl)S1 HR111102 [0,1,0,1,0,0|2,0,0]=4 649 B8R1.1 O=CC1=CNC(Br)=C1 HR104370 [0,1,0,1,0,0|1,0,1]=4 650 B8R1.1 O=CC1=CSC(Br)=C1 HR153364 [0,1,0,1,0,0|1,0,1]=4 651 B8R1.1 O=CC1=CSC(Br)=N1 HR8915 [0,1,0,1,0,0|2,0,0]=4 652 B8R1.1 O=CC1=CSC(Cl)=C1 HR110246 [0,1,0,1,0,0|1,0,1]=4 653 B8R1.1 O=CC1=CSC(Cl)=N1 HR121310 [0,1,0,1,0,0|2,0,0]=4 654 B8R1.1 O=CC1=NC(Br)=CS1 HR118135 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.1 O=Cc1cnc(Br)s1 HR120330 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.3 BrC1=CC=C(Br)C=C1 HR135257 [0,1,0,1,0,0|1,0,1]=4 657 B8R1.3 BrC1=CC=C(I)C=C1 HR136103 [0,1,0,1,0,0|1,0,1]=4 658 B8R1.3 BrC1=CN=C(Br)C=C1 HR30124 [0,1,0,1,0,0|2,0,0]=4 659 B8R1.3 BrC1=CN=C(I)C=C1 HR126028 [0,1,0,1,0,0|2,0,0]=4 660 B8R1.3 BrC1=NC=C(I)C=C1 HR125389 [0,1,0,1,0,0|2,0,0]=4 661 B8R1.3 CC1=CC=C(Br)C=C1 HR21011 [0,1,0,1,0,0|1,0,0]=3 662 B8R1.3 CC1=CC=C(Br)N=N1 HR148281 [0,1,0,1,0,0|2,0,0]=4 663 B8R1.3 CC1=CC=C(C)N=N1 HR112680 [0,1,0,1,0,0|2,0,0]=4 664 B8R1.3 CC1=CC=C(Cl)N=N1 HR137497 [0,1,0,1,0,0|2,0,0]=4 665 B8R1.3 CC1=CC=C(I)C=C1 HR131008 [0,1,0,1,0,0|1,0,0]=3 666 B8R1.3 CC1=CC=C(N)C=C1 HR147703 [0,1,0,1,0,0|1,0,0]=3 667 B8R1.3 CC1=CC=C(N)C=N1 HR131136 [0,1,0,1,0,0|1,0,0]=3 668 B8R1.3 CC1=CC=C(N)N=N1 HR103580 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.3 CC1=CC=C(O)C=N1 HR123018 [0,1,0,1,0,0|1,0,0]=3 670 B8R1.3 CC1=CC=[N+]([O-])C=C1 HR132370 [0,1,0,1,0,0|2,0,0]=4 671 B8R1.3 CC1=CCC(=O)CC1 HR105835 [0,1,0,1,0,0|0,0,2]=4 672 B8R1.3 CC1=CN=C(Br)C=C1 HR1185 [0,1,0,1,0,0|2,0,0]=4 673 B8R1.3 CC1=CN=C(Br)C=N1 HR114177 [0,1,0,1,0,0|2,0,0]=4 674 B8R1.3 CC1=CN=C(C)C=N1 HR133127 [0,1,0,1,0,0|2,0,0]=4 675 B8R1.3 CC1=CN=C(Cl)C=C1 HR1193 [0,1,0,1,0,0|2,0,0]=4 676 B8R1.3 CC1=CN=C(Cl)C=N1 HR147274 [0,1,0,1,0,0|2,0,0]=4 677 B8R1.3 CC1=CN=C(F)C=C1 HR136733 [0,1,0,1,0,0|2,0,0]=4 678 B8R1.3 CC1=CN=C(N)C=C1 ABXF00101 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.3 CC1=CN=C(N)C=N1 HR104011 [0,1,0,1,0,0|2,0,0]=4 680 B8R1.3 CC1=CN=C(O)C=C1 HR127832 [0,1,0,1,0,0|1,0,1]=4 681 B8R1.3 CC1=CN=C(O)C=C1 HR14321 [0,1,0,1,0,0|1,0,1]=4 682 B8R1.3 CC1=CN=C(O)C=N1 HR147862 [0,1,0,1,0,0|2,0,0]=4 683 B8R1.3 CC1=NC=C(Br)C=C1 HR4058 [0,1,0,1,0,0|1,0,0]=3 684 B8R1.3 CC1=NC=C(Br)C=N1 HR30429 [0,1,0,1,0,0|2,0,0]=4 685 B8R1.3 CC1=NC=C(Cl)C=C1 HR120085 [0,1,0,1,0,0|1,0,0]=3 686 B8R1.3 CC1=NC=C(Cl)C=N1 HR147489 [0,1,0,1,0,0|2,0,0]=4 687 B8R1.3 CC1=NC=C(F)C=C1 HR129366 [0,1,0,1,0,0|1,0,0]=3 688 B8R1.3 CC1=NC=C(I)C=C1 HR6698 [0,1,0,1,0,0|1,0,0]=3 689 B8R1.3 CC1=NC=C(N)C=N1 HR130339 [0,1,0,1,0,0|2,0,0]=4 690 B8R1.3 CC1=NC=C(O)C=N1 HR110662 [0,1,0,1,0,0|2,0,0]=4 691 B8R1.3 CC1=NNC(=O)C=C1 HR125138 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.3 CC1=NNC(=S)C=C1 HR113051 [0,1,0,1,0,0|2,0,0]=4 693 B8R1.3 Cc1ccc(O)cc1 HR128349 [0,1,0,1,0,0|1,0,0]=3 694 B8R1.3 Cc1ccc([SiH3])cc1 HR143570 [0,1,0,1,0,0|1,0,0]=3 695 B8R1.3 ClC1=CC=C(Br)C=C1 HR132877 [0,1,0,1,0,0|1,0,1]=4 696 B8R1.3 ClC1=CC=C(Cl)C=C1 HR100038 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.3 ClC1=CC=C(I)C=C1 HR134051 [0,1,0,1,0,0|1,0,1]=4 698 B8R1.3 ClC1=CN=C(Br)C=C1 HR1169 [0,1,0,1,0,0|2,0,0]=4 699 B8R1.3 ClC1=CN=C(Cl)C=C1 HR1199 [0,1,0,1,0,0|2,0,0]=4 700 B8R1.3 ClC1=CN=C(I)C=C1 HR125891 [0,1,0,1,0,0|2,0,0]=4 701 B8R1.3 ClC1=NC=C(Br)C=C1 HR1168 [0,1,0,1,0,0|2,0,0]=4 702 B8R1.3 ClC1=NC=C(I)C=C1 HR2078 [0,1,0,1,0,0|2,0,0]=4 703 B8R1.3 FC1=CC=C(Br)C=C1 HR129390 [0,1,0,1,0,0|1,0,1]=4 704 B8R1.3 FC1=CC=C(Cl)C=C1 HR147155 [0,1,0,1,0,0|1,0,1]=4 705 B8R1.3 FC1=CC=C(F)C=C1 HR146974 [0,1,0,1,0,0|1,0,1]=4 706 B8R1.3 FC1=CC=C(I)C=C1 HR129530 [0,1,0,1,0,0|1,0,1]=4 707 B8R1.3 FC1=CC=C(S)C=C1 HR125198 [0,1,0,1,0,0|0,1,1]=4 708 B8R1.3 FC1=CN=C(Br)C=C1 HR1099 [0,1,0,1,0,0|2,0,0]=4 709 B8R1.3 FC1=CN=C(Cl)C=C1 HR1097 [0,1,0,1,0,0|2,0,0]=4 710 B8R1.3 FC1=CN=C(F)C=C1 HR133853 [0,1,0,1,0,0|2,0,0]=4 711 B8R1.3 FC1=CN=C(I)C=C1 HR116954 [0,1,0,1,0,0|2,0,0]=4 712 B8R1.3 FC1=NC=C(Br)C=C1 HR3550 [0,1,0,1,0,0|2,0,0]=4 713 B8R1.3 FC1=NC=C(Cl)C=C1 HR1186 [0,1,0,1,0,0|2,0,0]=4 714 B8R1.3 FC1=NC=C(I)C=C1 HR6324 [0,1,0,1,0,0|2,0,0]=4 715 B8R1.3 IC1=CC=C(I)C=C1 HR135375 [0,1,0,1,0,0|1,0,1]=4 716 B8R1.3 IC1=CN=C(I)C=C1 HR125647 [0,1,0,1,0,0|2,0,0]=4 717 B8R1.3 NC1=CC=C(Br)C=C1 GASA04301 [0,1,0,1,0,0|1,0,1]=4 718 B8R1.3 NC1=CC=C(Br)N=C1 HR132418 [0,1,0,1,0,0|2,0,0]=4 719 B8R1.3 NC1=CC=C(Cl)C=C1 HR146918 [0,1,0,1,0,0|1,0,1]=4 720 B8R1.3 NC1=CC=C(F)C=C1 HR147053 [0,1,0,1,0,0|1,0,1]=4 721 B8R1.3 NC1=CC=C(I)C=C1 HR127574 [0,1,0,1,0,0|1,0,1]=4 722 B8R1.3 NC1=CC=C(O)C=C1 DOXF02203 [0,1,0,1,0,0|0,0,2]=4 723 B8R1.3 NC1=CC=C(O)C=N1 HR104751 [0,1,0,1,0,0|2,0,0]=4 724 B8R1.3 NC1=CC=C(O)C=N1 HR136765 [0,1,0,1,0,0|2,0,0]=4 725 B8R1.3 NC1=CC=C(S)C=C1 HR2471 [0,1,0,1,0,0|0,1,1]=4 726 B8R1.3 NC1=CN=C(Cl)C=C1 HR2406 [0,1,0,1,0,0|2,0,0]=4 727 B8R1.3 NC1=CN=C(F)C=C1 HR1155 [0,1,0,1,0,0|2,0,0]=4 728 B8R1.3 NC1=CN=C(N)C=C1 HR130782 [0,1,0,1,0,0|2,0,0]=4 729 B8R1.3 NC1=CN=C(O)C=C1 HR104123 [0,1,0,1,0,0|1,0,1]=4 730 B8R1.3 NC1=CN=C(O)C=C1 HR6563 [0,1,0,1,0,0|1,0,1]=4 731 B8R1.3 NC1=NC=C(Br)C=C1 HR1107 [0,1,0,1,0,0|2,0,0]=4 732 B8R1.3 NC1=NC=C(Cl)C=C1 HR126672 [0,1,0,1,0,0|2,0,0]=4 733 B8R1.3 NC1=NC=C(F)C=C1 HR1109 [0,1,0,1,0,0|2,0,0]=4 734 B8R1.3 NC1=NC=C(I)C=C1 HR2407 [0,1,0,1,0,0|2,0,0]=4 735 B8R1.3 Nc1ccc(Cl)cc1 HR123459 [0,1,0,1,0,0|1,0,1]=4 736 B8R1.3 Nc1ccc(N)cc1 HR142575 [0,1,0,1,0,0|1,0,1]=4 737 B8R1.3 Nc1ccc(N)nc1 HR144712 [0,1,0,1,0,0|2,0,0]=4 738 B8R1.3 O=C1C=CC(=O)C=C1 HR129503 [0,1,0,1,0,0|0,0,1]=3 739 B8R1.3 O=C1C=CC(=O)C=C1 HR14592 [0,1,0,1,0,0|0,0,1]=3 740 B8R1.3 O=C1C=NC(Br)=CN1 HR30621 [0,1,0,1,0,0|2,0,0]=4 741 B8R1.3 O=C1C=NC(Cl)=CN1 HR30622 [0,1,0,1,0,0|2,0,0]=4 742 B8R1.3 OC1=CC=C(Br)C=C1 HR146620 [0,1,0,1,0,0|0,0,2]=4 743 B8R1.3 OC1=CC=C(Cl)C=C1 HR147432 [0,1,0,1,0,0|0,0,2]=4 744 B8R1.3 OC1=CC=C(F)C=C1 HR138117 [0,1,0,1,0,0|0,0,2]=4 745 B8R1.3 OC1=CC=C(I)C=C1 HR3199 [0,1,0,1,0,0|0,0,2]=4 746 B8R1.3 OC1=CC=C(S)C=C1 HR135276 [0,1,0,1,0,0|0,0,2]=4 747 B8R1.3 OC1=CN=C(Br)C=C1 HR125117 [0,1,0,1,0,0|2,0,0]=4 748 B8R1.3 OC1=CN=C(Cl)C=C1 HR130615 [0,1,0,1,0,0|2,0,0]=4 749 B8R1.3 OC1=CN=C(F)C=C1 HR6321 [0,1,0,1,0,0|2,0,0]=4 750 B8R1.3 OC1=CN=C(I)C=C1 HR115833 [0,1,0,1,0,0|2,0,0]=4 751 B8R1.3 OC1=NC=C(Br)C=C1 HR126401 [0,1,0,1,0,0|1,0,1]=4 752 B8R1.3 OC1=NC=C(Cl)C=C1 HR135593 [0,1,0,1,0,0|1,0,1]=4 753 B8R1.3 OC1=NC=C(F)C=C1 HR137792 [0,1,0,1,0,0|1,0,1]=4 754 B8R1.3 OC1=NC=C(I)C=C1 HR137857 [0,1,0,1,0,0|1,0,1]=4 755 B8R1.3 S=C1C=CC(Cl)=CN1 HR107424 [0,1,0,1,0,0|1,1,0]=4 756 B8R1.3 SC1=CC=C(Br)C=C1 HR4043 [0,1,0,1,0,0|0,1,1]=4 757 B8R1.3 SC1=CC=C(Br)C=N1 HR148263 [0,1,0,1,0,0|1,1,0]=4 758 B8R1.3 SC1=CC=C(S)C=C1 HR141245 [0,1,0,1,0,0|0,1,1]=4 759 B8R1.3 [SiH3]C1=CC=C(Cl)C=C1 HR101057 [0,1,0,1,0,0|1,0,1]=4 760 B8R1.50 CC1=C(C)C(=O)N=N1 HR105352 [0,1,0,1,0,0|2,0,0]=4 761 B8R1.50 CC1=CSC(Br)=C1Br HR110879 [0,1,0,1,0,0|2,0,0]=4 762 B8R1.50 CN1C(=O)C=CC1=O HR115062 [0,1,0,1,0,0|1,0,0]=3 763 B8R1.50 O=C1C=CC(=O)N1O HR124363 [0,1,0,1,0,0|2,0,0]=4 764 B8R1.4 BrC1=CC(Br)=NC=C1 HR5452 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.4 BrC1=CC(I)=CC=C1 HR135115 [0,1,0,1,0,0|1,0,1]=4 766 B8R1.4 BrC1=CC(I)=NC=C1 HR118999 [0,1,0,1,0,0|2,0,0]=4 767 B8R1.4 BrC1=CC=CC(Br)=C1 HR134993 [0,1,0,1,0,0|1,0,1]=4 768 B8R1.4 BrC1=CC=CC(Br)=N1 LAXF01505 [0,1,0,1,0,0|2,0,0]=4 769 B8R1.4 BrC1=NC(I)=CC=C1 HR113549 [0,1,0,1,0,0|2,0,0]=4 770 B8R1.4 BrC1=NC=CC(I)=C1 HR134074 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.4 CC1=CC(=O)CCC1 HR142178 [0,1,0,1,0,0|0,0,2]=4 772 B8R1.4 CC1=CC(=O)NN=C1 HR11016 [0,1,0,1,0,0|2,0,0]=4 773 B8R1.4 CC1=CC(Br)=CC=C1 HR147078 [0,1,0,1,0,0|1,0,0]=3 774 B8R1.4 CC1=CC(Br)=NC=C1 HR1184 [0,1,0,1,0,0|2,0,0]=4 775 B8R1.4 CC1=CC(Br)=NC=N1 HR148333 [0,1,0,1,0,0|2,0,0]=4 776 B8R1.4 CC1=CC(C)=NC=N1 HR132989 [0,1,0,1,0,0|2,0,0]=4 777 B8R1.4 CC1=CC(Cl)=NC=C1 HR1192 [0,1,0,1,0,0|2,0,0]=4 778 B8R1.4 CC1=CC(Cl)=NC=N1 HR13240 [0,1,0,1,0,0|2,0,0]=4 779 B8R1.4 CC1=CC(F)=NC=C1 HR1203 [0,1,0,1,0,0|2,0,0]=4 780 B8R1.4 CC1=CC(I)=NC=C1 HR110692 [0,1,0,1,0,0|2,0,0]=4 781 B8R1.4 CC1=CC(N)=NC=C1 HR146783 [0,1,0,1,0,0|2,0,0]=4 782 B8R1.4 CC1=CC(N)=NC=N1 HR102836 [0,1,0,1,0,0|2,0,0]=4 783 B8R1.4 CC1=CC(O)=CC=C1 IDSA06810 [0,1,0,1,0,0|0,0,1]=3 784 B8R1.4 CC1=CC(O)=NC=C1 HR127276 [0,1,0,1,0,0|1,0,1]=4 785 B8R1.4 CC1=CC(O)=NC=N1 HR105356 [0,1,0,1,0,0|2,0,0]=4 786 B8R1.4 CC1=CC(O)=NC=N1 HR116470 [0,1,0,1,0,0|2,0,0]=4 787 B8R1.4 CC1=CC=CC(=S)N1 HR116107 [0,1,0,1,0,0|0,1,0]=3 788 B8R1.4 CC1=CC=CC(Br)=N1 HR1139 [0,1,0,1,0,0|1,0,0]=3 789 B8R1.4 CC1=CC=CC(C)=N1 HR146920 [0,1,0,1,0,0|1,0,0]=3 790 B8R1.4 CC1=CC=CC(Cl)=N1 HR1194 [0,1,0,1,0,0|1,0,0]=3 791 B8R1.4 CC1=CC=CC(F)=C1 HR147075 [0,1,0,1,0,0|1,0,0]=3 792 B8R1.4 CC1=CC=CC(F)=N1 HR138536 [0,1,0,1,0,0|1,0,0]=3 793 B8R1.4 CC1=CC=CC(I)=C1 HR130747 [0,1,0,1,0,0|1,0,0]=3 794 B8R1.4 CC1=CC=CC(I)=N1 HR33220 [0,1,0,1,0,0|1,0,0]=3 795 B8R1.4 CC1=CC=CC(N)=N1 HR126189 [0,1,0,1,0,0|1,0,0]=3 796 B8R1.4 CC1=CC=CC(O)=N1 HR102304 [0,1,0,1,0,0|0,0,1]=3 797 B8R1.4 CC1=CC=CC(O)=N1 HR123689 [0,1,0,1,0,0|0,0,1]=3 798 B8R1.4 CC1=CC=C[N+]([O-])=C1 HR131855 [0,1,0,1,0,0|1,0,1]=4 799 B8R1.4 CC1=CC=NC(=S)N1 HR134884 [0,1,0,1,0,0|1,1,0]=4 800 B8R1.4 CC1=CN=CC(=O)N1 HR110908 [0,1,0,1,0,0|1,0,0]=3 801 B8R1.4 CC1=CN=CC(Br)=C1 HR4036 [0,1,0,1,0,0|2,0,0]=4 802 B8R1.4 CC1=CN=CC(C)=N1 HR129129 [0,1,0,1,0,0|2,0,0]=4 803 B8R1.4 CC1=CN=CC(Cl)=C1 HR109685 [0,1,0,1,0,0|2,0,0]=4 804 B8R1.4 CC1=CN=CC(Cl)=N1 HR107821 [0,1,0,1,0,0|2,0,0]=4 805 B8R1.4 CC1=CN=CC(F)=C1 HR137759 [0,1,0,1,0,0|2,0,0]=4 806 B8R1.4 CC1=CN=CC(N)=C1 HR122715 [0,1,0,1,0,0|2,0,0]=4 807 B8R1.4 CC1=CN=CC(N)=N1 HR106865 [0,1,0,1,0,0|2,0,0]=4 808 B8R1.4 CC1=CN=CC(O)=C1 HR107413 [0,1,0,1,0,0|1,0,1]=4 809 B8R1.4 CC1=NC(Br)=NC=C1 HR107042 [0,1,0,1,0,0|2,0,0]=4 810 B8R1.4 CC1=NC(Cl)=NC=C1 HR6906 [0,1,0,1,0,0|2,0,0]=4 811 B8R1.4 CC1=NC(N)=NC=C1 HR108556 [0,1,0,1,0,0|2,0,0]=4 812 B8R1.4 CC1=NC(O)=NC=C1 HR130877 [0,1,0,1,0,0|1,0,1]=4 813 B8R1.4 CC1=NC(O)=NC=C1 HR144704 [0,1,0,1,0,0|1,0,1]=4 814 B8R1.4 CC1=NC(S)=NC=C1 HR143163 [0,1,0,1,0,0|1,1,0]=4 815 B8R1.4 CC1=NC=CC(Br)=C1 HR4035 [0,1,0,1,0,0|1,0,0]=3 816 B8R1.4 CC1=NC=CC(Cl)=C1 HR138568 [0,1,0,1,0,0|1,0,0]=3 817 B8R1.4 CC1=NC=CC(Cl)=N1 HR16387 [0,1,0,1,0,0|2,0,0]=4 818 B8R1.4 CC1=NC=CC(F)=C1 HR112228 [0,1,0,1,0,0|1,0,0]=3 819 B8R1.4 CC1=NC=CC(I)=C1 HR120740 [0,1,0,1,0,0|1,0,0]=3 820 B8R1.4 CC1=NC=CC(N)=C1 HR123486 [0,1,0,1,0,0|1,0,0]=3 821 B8R1.4 CC1=NC=CC(N)=N1 HR107859 [0,1,0,1,0,0|2,0,0]=4 822 B8R1.4 CC1=NC=CC(O)=C1 HR136769 [0,1,0,1,0,0|1,0,0]=3 823 B8R1.4 CC1=NC=CC(O)=N1 HR112244 [0,1,0,1,0,0|1,0,1]=4 824 B8R1.4 CC1=NC=CC(O)=N1 HR113416 [0,1,0,1,0,0|1,0,1]=4 825 B8R1.4 C[N+]1=CC(Br)=CC=C1 HR150972 [0,1,0,1,0,0|2,0,0]=4 826 B8R1.4 ClC1=CC(Br)=NC=C1 HR134871 [0,1,0,1,0,0|2,0,0]=4 827 B8R1.4 ClC1=CC(Cl)=NC=C1 HR30047 [0,1,0,1,0,0|2,0,0]=4 828 B8R1.4 ClC1=CC(I)=CC=C1 HR125340 [0,1,0,1,0,0|1,0,1]=4 829 B8R1.4 ClC1=CC(I)=NC=C1 HR32394 [0,1,0,1,0,0|2,0,0]=4 830 B8R1.4 ClC1=CC=CC(Br)=C1 HR125599 [0,1,0,1,0,0|1,0,1]=4 831 B8R1.4 ClC1=CC=CC(Br)=N1 HR9626 [0,1,0,1,0,0|2,0,0]=4 832 B8R1.4 ClC1=CC=CC(Cl)=N1 HR125187 [0,1,0,1,0,0|2,0,0]=4 833 B8R1.4 ClC1=NC(I)=CC=C1 HR152471 [0,1,0,1,0,0|2,0,0]=4 834 B8R1.4 ClC1=NC=CC(Br)=C1 HR1171 [0,1,0,1,0,0|2,0,0]=4 835 B8R1.4 ClC1=NC=CC(I)=C1 HR2579 [0,1,0,1,0,0|2,0,0]=4 836 B8R1.4 FC1=CC(Br)=NC=C1 HR115495 [0,1,0,1,0,0|2,0,0]=4 837 B8R1.4 FC1=CC(Cl)=NC=C1 HR6180 [0,1,0,1,0,0|2,0,0]=4 838 B8R1.4 FC1=CC(F)=NC=C1 HR122747 [0,1,0,1,0,0|2,0,0]=4 839 B8R1.4 FC1=CC(I)=CC=C1 HR136349 [0,1,0,1,0,0|1,0,1]=4 840 B8R1.4 FC1=CC=CC(Br)=C1 HR129141 [0,1,0,1,0,0|1,0,1]=4 841 B8R1.4 FC1=CC=CC(Cl)=N1 HR116646 [0,1,0,1,0,0|2,0,0]=4 842 B8R1.4 FC1=CC=CC(F)=C1 HR2308 [0,1,0,1,0,0|1,0,1]=4 843 B8R1.4 FC1=CC=CC(F)=N1 HR9241 [0,1,0,1,0,0|2,0,0]=4 844 B8R1.4 FC1=CC=CC(S)=C1 HR5429 [0,1,0,1,0,0|0,1,1]=4 845 B8R1.4 FC1=NC(Br)=CC=C1 HR139991 [0,1,0,1,0,0|2,0,0]=4 846 B8R1.4 FC1=NC(Br)=CC=C1 HR14324 [0,1,0,1,0,0|2,0,0]=4 847 B8R1.4 FC1=NC=CC(Br)=C1 HR1228 [0,1,0,1,0,0|2,0,0]=4 848 B8R1.4 FC1=NC=CC(Cl)=C1 HR111330 [0,1,0,1,0,0|2,0,0]=4 849 B8R1.4 FC1=NC=CC(I)=C1 HR3510 [0,1,0,1,0,0|2,0,0]=4 850 B8R1.4 IC1=CC(I)=NC=C1 HR102917 [0,1,0,1,0,0|2,0,0]=4 851 B8R1.4 IC1=CC=CC(I)=C1 HR136610 [0,1,0,1,0,0|1,0,1]=4 852 B8R1.4 IC1=CC=CC(I)=N1 HR146887 [0,1,0,1,0,0|2,0,0]=4 853 B8R1.4 NC1=CC(=O)CCC1 HR114131 [0,1,0,1,0,0|0,0,2]=4 854 B8R1.4 NC1=CC(Br)=CC=C1 HR146977 [0,1,0,1,0,0|1,0,1]=4 855 B8R1.4 NC1=CC(Br)=NC=C1 HR1222 [0,1,0,1,0,0|2,0,0]=4 856 B8R1.4 NC1=CC(Cl)=CC=C1 HR20239 [0,1,0,1,0,0|1,0,1]=4 857 B8R1.4 NC1=CC(Cl)=NC=C1 HR1248 [0,1,0,1,0,0|2,0,0]=4 858 B8R1.4 NC1=CC(F)=CC=C1 HR150410 [0,1,0,1,0,0|1,0,1]=4 859 B8R1.4 NC1=CC(F)=NC=C1 HR116597 [0,1,0,1,0,0|2,0,0]=4 860 B8R1.4 NC1=CC(I)=CC=C1 HR132893 [0,1,0,1,0,0|1,0,1]=4 861 B8R1.4 NC1=CC(N)=NC=C1 HR5418 [0,1,0,1,0,0|2,0,0]=4 862 B8R1.4 NC1=CC(O)=NC=C1 HR120752 [0,1,0,1,0,0|1,0,1]=4 863 B8R1.4 NC1=CC(O)=NC=C1 HR146873 [0,1,0,1,0,0|1,0,1]=4 864 B8R1.4 NC1=CC=CC(=S)N1 HR112349 [0,1,0,1,0,0|1,1,0]=4 865 B8R1.4 NC1=CC=CC(N)=N1 HR114400 [0,1,0,1,0,0|2,0,0]=4 866 B8R1.4 NC1=CC=CC(N)=N1 HR130188 [0,1,0,1,0,0|2,0,0]=4 867 B8R1.4 NC1=CC=CC(O)=C1 HR150861 [0,1,0,1,0,0|0,0,2]=4 868 B8R1.4 NC1=CC=CC(S)=C1 HR125939 [0,1,0,1,0,0|0,1,1]=4 869 B8R1.4 NC1=NC(=O)NC=C1 HR137595 [0,1,0,1,0,0|2,0,0]=4 870 B8R1.4 NC1=NC(Br)=CC=C1 HR7663 [0,1,0,1,0,0|2,0,0]=4 871 B8R1.4 NC1=NC(Cl)=CC=C1 HR9117 [0,1,0,1,0,0|2,0,0]=4 872 B8R1.4 NC1=NC(F)=CC=C1 HR137984 [0,1,0,1,0,0|2,0,0]=4 873 B8R1.4 NC1=NC(O)=CC=C1 HR106840 [0,1,0,1,0,0|1,0,1]=4 874 B8R1.4 NC1=NC=CC(Br)=C1 HR4039 [0,1,0,1,0,0|2,0,0]=4 875 B8R1.4 NC1=NC=CC(Cl)=C1 HR5695 [0,1,0,1,0,0|2,0,0]=4 876 B8R1.4 NC1=NC=CC(F)=C1 HR107651 [0,1,0,1,0,0|2,0,0]=4 877 B8R1.4 NC1=NC=CC(I)=C1 HR103230 [0,1,0,1,0,0|2,0,0]=4 878 B8R1.4 NC1=NC=CC(O)=C1 HR105068 [0,1,0,1,0,0|2,0,0]=4 879 B8R1.4 NC1=NC=CC(O)=C1 HR6677 [0,1,0,1,0,0|2,0,0]=4 880 B8R1.4 O=C1C=C(Cl)C=NN1 HR113302 [0,1,0,1,0,0|2,0,0]=4 881 B8R1.4 O=C1C=C(Cl)NC=N1 HR123013 [0,1,0,1,0,0|2,0,0]=4 882 B8R1.4 O=C1C=C(F)C=CN1 HR116146 [0,1,0,1,0,0|1,0,0]=3 883 B8R1.4 O=C1C=C(F)NC=N1 HR113935 [0,1,0,1,0,0|2,0,0]=4 884 B8R1.4 O=C1C=C(I)C=NN1 HR121165 [0,1,0,1,0,0|2,0,0]=4 885 B8R1.4 O=C1C=C(S)N=CN1 HR113633 [0,1,0,1,0,0|2,0,0]=4 886 B8R1.4 O=C1C=CC=C(Br)N1 HR32191 [0,1,0,1,0,0|1,0,0]=3 887 B8R1.4 O=C1C=CNC(=O)N1 HR131339 [0,1,0,1,0,0|2,0,0]=4 888 B8R1.4 O=C1C=CNC(=S)N1 HR128324 [0,1,0,1,0,0|2,0,0]=4 889 B8R1.4 O=C1C=CNC(F)=C1 HR118051 [0,1,0,1,0,0|1,0,1]=4 890 B8R1.4 OC1=CC(Br)=CC=C1 HR146769 [0,1,0,1,0,0|0,0,2]=4 891 B8R1.4 OC1=CC(Br)=NC=C1 HR30422 [0,1,0,1,0,0|2,0,0]=4 892 B8R1.4 OC1=CC(Cl)=CC=C1 HR147057 [0,1,0,1,0,0|0,0,2]=4 893 B8R1.4 OC1=CC(Cl)=NC=C1 HR2578 [0,1,0,1,0,0|2,0,0]=4 894 B8R1.4 OC1=CC(F)=CC=C1 HR137861 [0,1,0,1,0,0|0,0,2]=4 895 B8R1.4 OC1=CC(I)=CC=C1 HR135819 [0,1,0,1,0,0|0,0,2]=4 896 B8R1.4 OC1=CC(O)=NC=C1 HR108969 [0,1,0,1,0,0|1,0,1]=4 897 B8R1.4 OC1=CC(O)=NC=C1 HR132953 [0,1,0,1,0,0|1,0,1]=4 898 B8R1.4 OC1=CC=CC(Cl)=N1 HR12988 [0,1,0,1,0,0|1,0,1]=4 899 B8R1.4 OC1=CC=CC(F)=N1 HR117733 [0,1,0,1,0,0|1,0,1]=4 900 B8R1.4 OC1=CC=CC(O)=C1 HR147710 [0,1,0,1,0,0|0,0,2]=4 901 B8R1.4 OC1=CC=CC(O)=N1 HR118512 [0,1,0,1,0,0|1,0,1]=4 902 B8R1.4 OC1=CC=CC(S)=C1 HR131802 [0,1,0,1,0,0|0,0,2]=4 903 B8R1.4 OC1=NC=CC(Br)=C1 HR118544 [0,1,0,1,0,0|1,0,1]=4 904 B8R1.4 OC1=NC=CC(Cl)=C1 HR112849 [0,1,0,1,0,0|1,0,1]=4 905 B8R1.4 OC1=NC=CC(I)=C1 HR31945 [0,1,0,1,0,0|1,0,1]=4 906 B8R1.4 SC1=CC(Br)=CC=C1 HR127811 [0,1,0,1,0,0|0,1,1]=4 907 B8R1.4 SC1=CC(Cl)=CC=C1 HR133383 [0,1,0,1,0,0|0,1,1]=4 908 B8R1.4 Sc1cccc(S)n1 HR102605 [0,1,0,1,0,0|1,1,0]=4 909 B8R1.7 CC(=O)C1=CC=CN1 HR125135 [0,1,0,1,0,0|1,0,0]=3 910 B8R1.7 CC(=O)C1=CC=CO1 HR129914 [0,1,0,1,0,0|0,0,1]=3 911 B8R1.7 CC(=O)C1=CC=CS1 HR125914 [0,1,0,1,0,0|0,1,0]=3 912 B8R1.7 CC(=O)C1=CC=NO1 HR112153 [0,1,0,1,0,0|1,0,1]=4 913 B8R1.7 CC(=O)C1=CN=CN1 HR107179 [0,1,0,1,0,0|2,0,0]=4 914 B8R1.7 CC(=O)C1=CNC=C1 HR132755 [0,1,0,1,0,0|1,0,1]=4 915 B8R1.7 CC(=O)C1=CSC=C1 HR5220 [0,1,0,1,0,0|1,0,1]=4 916 B8R1.7 CC(=O)C1=CSC=N1 HR106019 [0,1,0,1,0,0|2,0,0]=4 917 B8R1.7 CC(=O)C1=NC=CN1 HR107500 [0,1,0,1,0,0|2,0,0]=4 918 B8R1.7 CC(=O)C1=NC=CO1 HR121608 [0,1,0,1,0,0|1,0,1]=4 919 B8R1.7 CC(=O)C1=NC=CS1 HR125652 [0,1,0,1,0,0|1,1,0]=4 920 B8R1.7 CC(=O)N1C=CC=N1 HR104365 [0,1,0,1,0,0|2,0,0]=4 921 B8R1.7 CC(C)C1=CC=CO1 HR128818 [0,1,0,1,0,0|0,0,2]=4 922 B8R1.7 CC(N)C1=CC=CS1 HR106452 [0,1,0,1,0,0|0,1,1]=4 923 B8R1.7 CC(O)C1=CC=CO1 HR110830 [0,1,0,1,0,0|0,0,2]=4 924 B8R1.7 N=C(N)c1cccs1 HR120103 [0,1,0,1,0,0|1,1,0]=4 925 B8R1.7 NC(=O)C1=CC=NN1 HR109332 [0,1,0,1,0,0|2,0,0]=4 926 B8R1.7 NC(=O)C1=CN=CS1 HR117462 [0,1,0,1,0,0|2,0,0]=4 927 B8R1.7 NC(=O)C1=COC=N1 HR106401 [0,1,0,1,0,0|2,0,0]=4 928 B8R1.7 NC(=O)C1=CSC=N1 HR119034 [0,1,0,1,0,0|2,0,0]=4 929 B8R1.7 NC(=O)C1=NC=CS1 HR119681 [0,1,0,1,0,0|2,0,0]=4 930 B8R1.7 NC(=S)C1=CC=CO1 HR109484 [0,1,0,1,0,0|1,0,1]=4 931 B8R1.7 NC(N)=C1C=CC=N1 HR110275 [0,1,0,1,0,0|2,0,0]=4 932 B8R1.7 O=C(Cl)C1=CC=CS1 HR127265 [0,1,0,1,0,0|1,0,0]=3 933 B8R1.7 O=C(Cl)C1=CSC=C1 HR129666 [0,1,0,1,0,0|1,0,1]=4 934 B8R1.7 O=C(Cl)[C-]1C=CC=C1 HR129030 [0,1,0,1,0,0|0,0,2]=4 935 B8R1.7 O=C(Cl)c1ccco1 HR144597 [0,1,0,1,0,0|1,0,0]=3 936 B8R1.7 O=C(O)C1=CC=CN1 HR15698 [0,1,0,1,0,0|1,0,0]=3 937 B8R1.7 O=C(O)C1=CC=CO1 HR127796 [0,1,0,1,0,0|1,0,0]=3 938 B8R1.7 O=C(O)C1=CC=CS1 HR126442 [0,1,0,1,0,0|1,0,0]=3 939 B8R1.7 O=C(O)C1=CC=NN1 HR111763 [0,1,0,1,0,0|2,0,0]=4 940 B8R1.7 O=C(O)C1=CC=NO1 HR8643 [0,1,0,1,0,0|2,0,0]=4 941 B8R1.7 O=C(O)C1=CC=NS1 HR114219 [0,1,0,1,0,0|2,0,0]=4 942 B8R1.7 O=C(O)C1=CN=CO1 HR102036 [0,1,0,1,0,0|2,0,0]=4 943 B8R1.7 O=C(O)C1=CN=CS1 HR105502 [0,1,0,1,0,0|2,0,0]=4 944 B8R1.7 O=C(O)C1=CNC=C1 HR105630 [0,1,0,1,0,0|1,0,1]=4 945 B8R1.7 O=C(O)C1=CNC=C1 HR137229 [0,1,0,1,0,0|1,0,1]=4 946 B8R1.7 O=C(O)C1=CNC=N1 HR30080 [0,1,0,1,0,0|2,0,0]=4 947 B8R1.7 O=C(O)C1=COC=C1 HR136364 [0,1,0,1,0,0|1,0,1]=4 948 B8R1.7 O=C(O)C1=COC=N1 HR30732 [0,1,0,1,0,0|2,0,0]=4 949 B8R1.7 O=C(O)C1=CSC=C1 HR7735 [0,1,0,1,0,0|1,0,1]=4 950 B8R1.7 O=C(O)C1=CSC=N1 HR124693 [0,1,0,1,0,0|2,0,0]=4 951 B8R1.7 O=C(O)C1=NC=CN1 HR122739 [0,1,0,1,0,0|2,0,0]=4 952 B8R1.7 O=C(O)C1=NC=CS1 HR32050 [0,1,0,1,0,0|2,0,0]=4 953 B8R1.7 O=C(O)C1=NNC=C1 HR133840 [0,1,0,1,0,0|2,0,0]=4 954 B8R1.7 O=C(O)C1=NOC=C1 HR146865 [0,1,0,1,0,0|2,0,0]=4 955 B8R1.7 O=C(O)C1CC=CC1 HR137833 [0,1,0,1,0,0|0,0,2]=4 956 B8R1.7 O=C(O)[C-]1C=CC=C1 HR10724 [0,1,0,1,0,0|0,0,2]=4 957 B8R1.7 O=C([O-])C1=CC=CS1 HR120572 [0,1,0,1,0,0|1,0,0]=3 958 B8R1.7 O=C([O-])c1cccs1 HR114958 [0,1,0,1,0,0|1,0,0]=3 959 B8R1.7 O=[N+]([O-])C1=CC=CN1 HR148390 [0,1,0,1,0,0|2,0,0]=4 960 B8R1.7 O=[N+]([O-])C1=CC=CS1 HR130250 [0,1,0,1,0,0|2,0,0]=4 961 B8R1.19 CC1(C)OC=CC1=O HR133758 [0,1,0,1,0,0|1,0,1]=4 962 B8R1.18 CC1=C(Br)C=C(Br)S1 HR129933 [0,1,0,1,0,0|2,0,0]=4 963 B8R1.18 CC1=C(Br)OC(Br)=C1 HR117895 [0,1,0,1,0,0|2,0,0]=4 964 B8R1.18 CC1=C(Br)SC(Br)=C1 HR31807 [0,1,0,1,0,0|2,0,0]=4 965 B8R1.18 CC1=C(Cl)SC(Br)=C1 HR32390 [0,1,0,1,0,0|2,0,0]=4 966 B8R1.18 CC1=C(Cl)SC(Cl)=C1 HR126319 [0,1,0,1,0,0|2,0,0]=4 967 B8R1.18 CC1=C(I)SC(I)=C1 HR118806 [0,1,0,1,0,0|2,0,0]=4 968 B8R1.18 CC1=CC(=O)C(C)O1 HR125615 [0,1,0,1,0,0|1,0,1]=4 969 B8R1.18 CC1=CC(=O)N(C)N1 HR138216 [0,1,0,1,0,0|2,0,0]=4 970 B8R1.18 CC1=CC(=O)OC1=O HR122406 [0,1,0,1,0,0|1,0,0]=3 971 B8R1.18 CC1=CC(C)=C(C)S1 HR106599 [0,1,0,1,0,0|2,0,0]=4 972 B8R1.18 CC1=CC(S)=C(C)O1 HR123446 [0,1,0,1,0,0|1,1,0]=4 973 B8R1.18 Cn1sc(Cl)cc1=O HR123569 [0,1,0,1,0,0|2,0,0]=4