0 B8R1.8 BrCCC1=CC=CS1 HR139597 [0,0,0,0,0,0|2,1,0]=3 1 B8R1.8 CCCC1=CSC=C1 HR111780 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 CCCC1=NC=CN1 HR125523 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 CCCC1=NC=CS1 HR129777 [0,0,0,0,0,0|2,1,0]=3 4 B8R1.8 CCCN1C=CC=N1 HR153199 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.8 CCCc1cccs1 HR132275 [0,0,0,0,0,0|1,1,0]=2 6 B8R1.8 CCOC1=NC=CS1 HR132829 [0,0,0,0,0,0|3,1,0]=4 7 B8R1.8 CNCC1=CC=CS1 HR110963 [0,0,0,0,0,0|1,1,0]=2 8 B8R1.8 CNCC1=CC=CS1 HR117241 [0,0,0,0,0,0|1,1,0]=2 9 B8R1.8 CNCC1=CC=NN1 HR111449 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.8 CNCC1=CC=NO1 HR110883 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.8 CNCC1=NC=CS1 HR111086 [0,0,0,0,0,0|2,1,0]=3 12 B8R1.8 CNCC1=NOC=C1 HR104509 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.8 COCC1=CC=CS1 HR153359 [0,0,0,0,0,0|0,2,0]=2 14 B8R1.8 COCN1C=CN=C1 HR33953 [0,0,0,0,0,0|3,1,0]=4 15 B8R1.8 CSCC1=CC=CO1 HR129428 [0,0,0,0,0,0|0,0,0]=0 16 B8R1.8 ClCCC1=CC=CS1 HR118860 [0,0,0,0,0,0|2,1,0]=3 17 B8R1.8 ClCCC1=NC=CN1 HR104772 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.8 N#CCC1=CC=CS1 HR134457 [0,0,0,0,0,0|2,1,0]=3 19 B8R1.8 N#CCC1=CSC=C1 HR133104 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.8 NCCC1=CC=CO1 HR118527 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.8 NCCC1=CC=CS1 HR127239 [0,0,0,0,0,0|2,1,0]=3 22 B8R1.8 NCCC1=CNC=N1 HR122599 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.8 NCCC1=CNC=N1 HR135573 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.8 NCCC1=CNC=N1 HR135577 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.8 NCCC1=CSC=C1 HR108024 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.8 NCCN1C=CC=N1 HR108678 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.8 NCCc1ccsc1 HR118216 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.8 O=C=NC1=CC=CS1 HR115610 [0,0,0,0,0,0|3,1,0]=4 29 B8R1.8 O=CCC1=CC=CS1 HR104291 [0,0,0,0,0,0|2,1,0]=3 30 B8R1.8 OCCC1=CC=CS1 HR126977 [0,0,0,0,0,0|2,1,0]=3 31 B8R1.8 OCCC1=CNC=N1 HR138319 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.8 OCCC1=CSC=C1 HR122222 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.8 O\N=C\C1=CC=CS1 HR153327 [0,0,0,0,0,0|2,1,1]=4 34 B7R1.1 BrCC1=CC=CS1 HR107794 [1,0,0,0,0,0|1,1,0]=3 35 B7R1.1 BrCC1=CC=NN1 HR119316 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.1 BrCC1=CC=NO1 HR111380 [1,0,0,0,0,0|2,0,0]=3 37 B7R1.1 BrCC1=CN=CN1 HR106193 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 BrCC1=CN=CS1 HR111858 [1,0,0,0,0,0|2,1,0]=4 39 B7R1.1 BrCC1=COC=C1 HR105237 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.1 BrCC1=CSC=C1 HR126049 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 BrCC1=CSC=N1 HR112334 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 BrCC1=NC=CN1 HR106504 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 BrCC1=NC=CS1 HR110806 [1,0,0,0,0,0|2,1,0]=4 44 B7R1.1 Br[Mg]c1cccs1 HR115567 [1,0,0,0,0,0|2,1,0]=4 45 B7R1.1 C#CC1=CC=CS1 HR115815 [1,0,0,0,0,0|0,1,2]=4 46 B7R1.1 C=CC1=CC=CS1 HR127371 [1,0,0,0,0,0|0,1,2]=4 47 B7R1.1 CCC1=CC=CO1 HR125873 [1,0,0,0,0,0|0,0,0]=1 48 B7R1.1 CCC1=CC=CS1 HR111385 [1,0,0,0,0,0|0,1,0]=2 49 B7R1.1 CCC1=CSC=C1 HR124094 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.1 CCC1=NC=CN1 HR15972 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.1 CCC1=NC=CS1 HR130841 [1,0,0,0,0,0|1,1,0]=3 52 B7R1.1 CCC1=NCCO1 HR131444 [1,0,0,0,0,0|1,0,2]=4 53 B7R1.1 CCN1C=CC=C1 HR125020 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.1 CCN1C=CC=N1 HR102255 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.1 CCN1C=CN=C1 HR124211 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.1 CCN1C=NC=N1 HR113069 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.1 CNC1=CN=CO1 HR119721 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.1 CNC1=COC=N1 HR112378 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 CNC1=NC=CS1 HR148142 [1,0,0,0,0,0|2,1,0]=4 60 B7R1.1 COC1=CC=CS1 HR128854 [1,0,0,0,0,0|0,2,0]=3 61 B7R1.1 COC1=CSC=C1 HR138278 [1,0,0,0,0,0|2,1,0]=4 62 B7R1.1 COC1=NC=CS1 HR146614 [1,0,0,0,0,0|1,2,0]=4 63 B7R1.1 CSC1=CC=CS1 HR119424 [1,0,0,0,0,0|0,1,0]=2 64 B7R1.1 CSC1=CSC=C1 HR153189 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.1 ClCC1=CC=CS1 HR130983 [1,0,0,0,0,0|1,1,0]=3 66 B7R1.1 ClCC1=CC=NO1 HR106390 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.1 ClCC1=CN=CO1 HR116607 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.1 ClCC1=CN=CS1 HR112175 [1,0,0,0,0,0|2,1,0]=4 69 B7R1.1 ClCC1=CNC=N1 HR105878 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.1 ClCC1=COC=C1 HR104894 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.1 ClCC1=CSC=N1 HR108408 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.1 ClCC1=CSC=N1 HR113899 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.1 ClCC1=NC=CN1 HR106818 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.1 ClCC1=NC=CO1 HR106973 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.1 ClCC1=NC=CS1 HR111125 [1,0,0,0,0,0|2,1,0]=4 76 B7R1.1 ClCC1=NNC=C1 HR31924 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.1 N#CC1=CC=CN1 HR131195 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.1 N#CC1=CC=CO1 HR105593 [1,0,0,0,0,0|1,0,1]=3 79 B7R1.1 N#CC1=CC=CS1 HR127173 [1,0,0,0,0,0|1,1,1]=4 80 B7R1.1 N#CC1=CN=CO1 HR119400 [1,0,0,0,0,0|2,0,1]=4 81 B7R1.1 NCC1=CC=CN1 HR148675 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.1 NCC1=CC=CS1 HR128270 [1,0,0,0,0,0|1,1,0]=3 83 B7R1.1 NCC1=CC=NN1 HR14846 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.1 NCC1=CC=NO1 HR104828 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.1 NCC1=CN=CO1 HR146908 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.1 NCC1=CN=CS1 HR109298 [1,0,0,0,0,0|2,1,0]=4 87 B7R1.1 NCC1=COC=N1 HR106091 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.1 NCC1=CSC=C1 HR134337 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.1 NCC1=NC=CN1 HR115302 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.1 NCC1=NC=CN1 HR117949 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.1 NCC1=NC=CO1 HR121937 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.1 NCC1=NC=CS1 HR117910 [1,0,0,0,0,0|2,1,0]=4 93 B7R1.1 NCC1=NC=CS1 HR118256 [1,0,0,0,0,0|2,1,0]=4 94 B7R1.1 NCC1=NN=CO1 HR32217 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.1 NCC1=NNC=C1 HR110853 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.1 NCC1=NSC=C1 HR102659 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.1 NCC1C=CCO1 HR104311 [1,0,0,0,0,0|1,0,2]=4 98 B7R1.1 NCc1ccno1 HR111646 [1,0,0,0,0,0|2,0,0]=3 99 B7R1.1 NCc1cncs1 HR117632 [1,0,0,0,0,0|2,1,0]=4 100 B7R1.1 O=CC1=CC=CN1 HR133248 [1,0,0,0,0,0|1,1,1]=4 101 B7R1.1 O=CC1=CC=CO1 HR147284 [1,0,0,0,0,0|0,1,1]=3 102 B7R1.1 O=CC1=CN=CO1 HR120030 [1,0,0,0,0,0|1,1,1]=4 103 B7R1.1 O=CC1=NC=CO1 HR119983 [1,0,0,0,0,0|1,1,1]=4 104 B7R1.1 O=Cc1cccs1 HR125923 [1,0,0,0,0,0|0,2,1]=4 105 B7R1.1 OCC1=CC=CO1 HR147620 [1,0,0,0,0,0|0,1,0]=2 106 B7R1.1 OCC1=CC=CS1 HR136423 [1,0,0,0,0,0|0,2,0]=3 107 B7R1.1 OCC1=CC=NN1 HR118693 [1,0,0,0,0,0|2,1,0]=4 108 B7R1.1 OCC1=CC=NO1 HR105454 [1,0,0,0,0,0|1,1,0]=3 109 B7R1.1 OCC1=CC=NS1 HR114846 [1,0,0,0,0,0|1,2,0]=4 110 B7R1.1 OCC1=CN=CO1 HR120976 [1,0,0,0,0,0|1,1,0]=3 111 B7R1.1 OCC1=CN=CS1 HR126084 [1,0,0,0,0,0|1,2,0]=4 112 B7R1.1 OCC1=CNC=N1 HR138057 [1,0,0,0,0,0|2,1,0]=4 113 B7R1.1 OCC1=COC=C1 HR124594 [1,0,0,0,0,0|2,1,0]=4 114 B7R1.1 OCC1=COC=N1 HR121921 [1,0,0,0,0,0|2,1,0]=4 115 B7R1.1 OCC1=CSC=C1 HR123712 [1,0,0,0,0,0|2,1,0]=4 116 B7R1.1 OCC1=CSC=N1 HR121654 [1,0,0,0,0,0|2,1,0]=4 117 B7R1.1 OCC1=NC=CN1 HR146395 [1,0,0,0,0,0|2,1,0]=4 118 B7R1.1 OCC1=NC=CO1 HR105529 [1,0,0,0,0,0|1,1,0]=3 119 B7R1.1 OCC1=NC=CS1 HR123878 [1,0,0,0,0,0|1,2,0]=4 120 B7R1.1 OCN1C=CC=N1 HR112118 [1,0,0,0,0,0|2,1,0]=4 121 B7R1.1 SCC1=CC=CS1 HR139099 [1,0,0,0,0,0|0,1,0]=2 122 B9R1.7 CCCC1=CC(N)=NN1 HR102903 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.7 CCCC1=CSC(N)=N1 HR120059 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.7 CCCN1C=C(Br)C=N1 HR156684 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.7 CNCC1=CSC(C)=N1 HR113933 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.7 CNCC1=NC(C)=CS1 HR102831 [0,1,0,0,0,0|2,1,0]=4 127 B9R1.7 COCC1=CC=C(Br)S1 HR153353 [0,1,0,0,0,0|0,2,0]=3 128 B9R1.7 NCCC1=CC=C(Br)S1 HR104636 [0,1,0,0,0,0|2,1,0]=4 129 B9R1.7 NCCc1ccc(Cl)s1 HR120576 [0,1,0,0,0,0|2,1,0]=4 130 B9R1.11 CCC(=O)C1=CC=CN1 HR132813 [0,1,0,0,0,0|2,0,1]=4 131 B9R1.11 CCC(=O)C1=CC=CS1 HR133080 [0,1,0,0,0,0|1,1,1]=4 132 B9R1.11 COC(=O)C1=CC=CN1 HR9141 [0,1,0,0,0,0|1,1,1]=4 133 B9R1.11 COC(=O)C1=CC=CO1 HR131617 [0,1,0,0,0,0|0,1,1]=3 134 B9R1.11 COC(=O)C1=CC=CS1 HR136865 [0,1,0,0,0,0|0,2,1]=4 135 B9R1.11 COC(=O)C1=CC=NO1 HR111692 [0,1,0,0,0,0|1,1,1]=4 136 B9R1.11 COC(=O)C1=CN=CO1 HR116929 [0,1,0,0,0,0|1,1,1]=4 137 B9R1.11 NNC(=O)C1=CC=CO1 HR110093 [0,1,0,0,0,0|2,0,1]=4 138 B9R1.11 O=C(CBr)C1=CC=CO1 HR107121 [0,1,0,0,0,0|2,0,1]=4 139 B9R1.12 C=NCCC1=CC=CS1 HR118796 [0,1,0,0,0,0|1,1,1]=4 140 B9R1.12 CCCCC1=CC=CS1 HR153368 [0,1,0,0,0,0|1,1,0]=3 141 B9R1.12 CCCCC1=CSC=C1 HR104000 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.12 CCCCN1C=CC=N1 HR153200 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.12 CCNCC1=CC=CS1 HR115954 [0,1,0,0,0,0|1,1,0]=3 144 B9R1.12 CSSCC1=CC=CO1 HR131545 [0,1,0,0,0,0|0,0,0]=1 145 B9R1.12 O=C\C=C\C1=CC=CO1 HR124236 [0,1,0,0,0,0|1,0,2]=4 146 B9R1.12 O=C\C=C\C1=CC=CO1 HR138531 [0,1,0,0,0,0|1,0,2]=4 147 B9R1.12 OCCCC1=CC=CS1 HR103357 [0,1,0,0,0,0|1,1,0]=3 148 B9R1.12 OCCCC1=CN=CN1 HR34117 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.12 S=COCC1=CC=CO1 HR125026 [0,1,0,0,0,0|0,1,1]=3 150 B9R1.13 CC(C)CC1=NC=CS1 HR134446 [0,1,0,0,0,0|2,1,0]=4 151 B9R1.13 CC(C)CN1C=CC=N1 HR153288 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.13 CC(N)CC1=CC=CS1 HR106138 [0,1,0,0,0,0|1,1,0]=3 153 B9R1.13 CC(N)CC1=CC=NN1 HR108621 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.13 O=C(Cl)CC1=CC=CS1 HR125660 [0,1,0,0,0,0|2,1,0]=4 155 B9R1.13 O=C(O)CC1=CC=CO1 HR17310 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.13 O=C(O)CC1=CC=CS1 HR125405 [0,1,0,0,0,0|2,1,0]=4 157 B9R1.33 CCOC1=C(C)N=CO1 HR8651 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.33 CN1C=CC=C1CC#N HR130216 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.33 CSSC1=C(C)OC=C1 HR144617 [0,1,0,0,0,0|3,0,0]=4 160 B7R0.1 C=CCOCCCC HR129962 [0,0,1,0,0,0|1,0,2]=4 161 B7R0.1 CCCC\C=C\C=O HR129000 [0,0,1,0,0,0|1,0,2]=4 162 B7R0.1 CC\C=C\C=C\C=O HR130022 [0,0,1,0,0,0|1,0,2]=4 163 B7R0.7 C=COC(=O)\C=C\C HR129020 [0,0,1,0,0,0|2,0,1]=4 164 B9R2.2 C1=CC(C2CC2)=NN1 HR110540 [0,0,0,1,0,0|3,0,0]=4 165 B9R2.2 C1=CNC(C2CC2)=N1 HR104592 [0,0,0,1,0,0|3,0,0]=4 166 B9R2.3 C1=NNC2=C1CNC2 HR32046 [0,0,0,1,0,0|3,0,0]=4 167 B9R2.3 C1=NNC2=C1CNC2 HR32047 [0,0,0,1,0,0|3,0,0]=4 168 B9R1.8 BrCCC1=CC=CC=C1 HR137400 [0,0,0,0,0,1|3,0,0]=4 169 B9R1.8 BrCCC1=CC=CN=C1 HR145991 [0,0,0,0,0,1|3,0,0]=4 170 B9R1.8 BrCCC1=NC=CC=C1 HR108401 [0,0,0,0,0,1|3,0,0]=4 171 B9R1.8 BrCCC1=NC=CC=C1 HR140265 [0,0,0,0,0,1|3,0,0]=4 172 B9R1.8 Br[Mg]CC1=CC=CC=C1 HR107023 [0,0,0,0,0,1|3,0,0]=4 173 B9R1.8 C=CCC1=CC=CC=C1 HR125190 [0,0,0,0,0,1|2,0,1]=4 174 B9R1.8 CC#CC1=CC=CC=C1 HR143340 [0,0,0,0,0,1|2,0,1]=4 175 B9R1.8 CCCC1=CC=NC=C1 HR126194 [0,0,0,0,0,1|2,0,0]=3 176 B9R1.8 CCCC1=NC=CC=C1 HR129514 [0,0,0,0,0,1|2,0,0]=3 177 B9R1.8 CCC[n+]1ccccc1 HR103120 [0,0,0,0,0,1|3,0,0]=4 178 B9R1.8 CCC[n+]1ccccc1 HR122183 [0,0,0,0,0,1|3,0,0]=4 179 B9R1.8 CCOC1=CC=CC=C1 SOSA06013 [0,0,0,0,0,1|3,0,0]=4 180 B9R1.8 CCOC1=CC=CN=N1 HR148630 [0,0,0,0,0,1|3,0,0]=4 181 B9R1.8 CCOC1=NC=CC=C1 HR1126 [0,0,0,0,0,1|3,0,0]=4 182 B9R1.8 CCOC1=NC=CN=C1 HR132551 [0,0,0,0,0,1|3,0,0]=4 183 B9R1.8 CNCC1=CC=CC=C1 HR122296 [0,0,0,0,0,1|2,0,0]=3 184 B9R1.8 CNCC1=CC=CN=C1 HR115545 [0,0,0,0,0,1|2,0,0]=3 185 B9R1.8 CNCC1=NC=CC=N1 HR148114 [0,0,0,0,0,1|2,0,0]=3 186 B9R1.8 CNCC1=NC=CN=C1 HR146839 [0,0,0,0,0,1|2,0,0]=3 187 B9R1.8 CNCC1=NC=NC=C1 HR120571 [0,0,0,0,0,1|2,0,0]=3 188 B9R1.8 COCC1=CC=CC=C1 HR110737 [0,0,0,0,0,1|1,1,0]=3 189 B9R1.8 COCC1=NC=CC=C1 HR139025 [0,0,0,0,0,1|1,1,0]=3 190 B9R1.8 CSCC1=CC=CC=C1 HR135285 [0,0,0,0,0,1|1,0,0]=2 191 B9R1.8 CSSC1=CC=CC=C1 HR128216 [0,0,0,0,0,1|2,0,0]=3 192 B9R1.8 ClCCC1=CC=CC=C1 HR133891 [0,0,0,0,0,1|3,0,0]=4 193 B9R1.8 ClCCC1=NC=CC=C1 HR142690 [0,0,0,0,0,1|3,0,0]=4 194 B9R1.8 Cl[Mg]CC1=CC=CC=C1 HR114099 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.8 N#CCC1=CC=CC=C1 HR20468 [0,0,0,0,0,1|3,0,0]=4 196 B9R1.8 N#CCC1=CC=CN=C1 HR123244 [0,0,0,0,0,1|3,0,0]=4 197 B9R1.8 N#CCC1=CC=NC=C1 HR129755 [0,0,0,0,0,1|3,0,0]=4 198 B9R1.8 N#CCC1=CC=NC=C1 HR143282 [0,0,0,0,0,1|3,0,0]=4 199 B9R1.8 N#CCC1=NC=CC=C1 HR128977 [0,0,0,0,0,1|3,0,0]=4 200 B9R1.8 NCCC1=CC=CC=C1 HR124878 [0,0,0,0,0,1|3,0,0]=4 201 B9R1.8 NCCC1=CC=CC=C1 HR126697 [0,0,0,0,0,1|3,0,0]=4 202 B9R1.8 NCCC1=CC=CN=C1 HR134041 [0,0,0,0,0,1|3,0,0]=4 203 B9R1.8 NCCC1=CC=NC=C1 HR116357 [0,0,0,0,0,1|3,0,0]=4 204 B9R1.8 NCCC1=CC=NC=C1 HR119181 [0,0,0,0,0,1|3,0,0]=4 205 B9R1.8 NCCC1=NC=CC=C1 HR141302 [0,0,0,0,0,1|3,0,0]=4 206 B9R1.8 NNCC1=CC=CC=C1 HR134091 [0,0,0,0,0,1|3,0,0]=4 207 B9R1.8 NNCC1=CC=CC=C1 HR30015 [0,0,0,0,0,1|3,0,0]=4 208 B9R1.8 NNCC1=CC=CN=C1 HR105274 [0,0,0,0,0,1|3,0,0]=4 209 B9R1.8 NNCC1=NC=CN=C1 HR116503 [0,0,0,0,0,1|3,0,0]=4 210 B9R1.8 NOCC1=CC=CC=C1 HR139396 [0,0,0,0,0,1|2,1,0]=4 211 B9R1.8 NOCC1=CC=CC=C1 HR7095 [0,0,0,0,0,1|2,1,0]=4 212 B9R1.8 O=CCC1=CC=CC=C1 HR138581 [0,0,0,0,0,1|3,0,0]=4 213 B9R1.8 OCCC1=CC=CC=C1 HR126434 [0,0,0,0,0,1|3,0,0]=4 214 B9R1.8 OCCC1=CC=CN=C1 HR117461 [0,0,0,0,0,1|3,0,0]=4 215 B9R1.8 OCCC1=CC=NC=C1 HR134681 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.8 OCCC1=NC=CC=C1 HR132012 [0,0,0,0,0,1|3,0,0]=4 217 B9R1.8 OCCC1=NC=CN=C1 HR109193 [0,0,0,0,0,1|3,0,0]=4 218 B9R1.8 OCCC1=NC=NC=C1 HR112757 [0,0,0,0,0,1|3,0,0]=4 219 B9R1.8 ONCC1=CC=CC=C1 HR30114 [0,0,0,0,0,1|3,0,0]=4 220 B9R1.8 SCCC1=CC=CC=C1 HR137189 [0,0,0,0,0,1|3,0,0]=4 221 B9R1.8 SCCC1=NC=CN=C1 HR126064 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 HR100465 [0,0,0,0,0,1|2,0,1]=4 223 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 HR104840 [0,0,0,0,0,1|2,0,1]=4 224 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 HR116542 [0,0,0,0,0,1|2,0,1]=4 225 B6R0.6 C=COCCCC PAJB01004 [1,0,1,0,0,0|1,0,1]=4 226 B6R0.6 CCC\C=C\C=O HR127670 [1,0,1,0,0,0|0,0,2]=4 227 B6R0.6 CCC\C=C\CO HR127397 [1,0,1,0,0,0|0,0,2]=4 228 B6R0.6 CC\C=C\CCO HR100849 [1,0,1,0,0,0|0,0,2]=4 229 B6R0.6 CC\C=C\CCO HR130305 [1,0,1,0,0,0|0,0,2]=4 230 B6R0.6 C\C=C\C=C\C=O HR122495 [1,0,1,0,0,0|0,0,2]=4 231 B6R0.6 C\C=C\C=C\CO HR126927 [1,0,1,0,0,0|0,0,2]=4 232 B6R0.1 C=CC(=O)CCC HR100488 [1,0,1,0,0,0|1,0,1]=4 233 B6R0.1 C=CC(O)CCC HR128085 [1,0,1,0,0,0|1,0,1]=4 234 B6R0.1 C=COC(=O)CC HR145643 [1,0,1,0,0,0|1,0,0]=3 235 B6R0.1 C\C=C\C(=O)CC HR108073 [1,0,1,0,0,0|0,0,2]=4 236 B6R1.2 BrC1=CC=CO1 HR132225 [2,0,0,0,0,0|1,0,0]=3 237 B6R1.2 BrC1=CC=CS1 HR34180 [2,0,0,0,0,0|1,1,0]=4 238 B6R1.2 BrC1=CN=CO1 HR146519 [2,0,0,0,0,0|2,0,0]=4 239 B6R1.2 BrC1=NC=CO1 HR107371 [2,0,0,0,0,0|2,0,0]=4 240 B6R1.2 CC1=CC=CN1 HR147294 [2,0,0,0,0,0|1,0,0]=3 241 B6R1.2 CC1=CC=CS1 HR131866 [2,0,0,0,0,0|0,1,0]=3 242 B6R1.2 CC1=CC=NN1 HR10442 [2,0,0,0,0,0|2,0,0]=4 243 B6R1.2 CC1=CC=NO1 HR131159 [2,0,0,0,0,0|1,0,0]=3 244 B6R1.2 CC1=CN=CS1 HR128769 [2,0,0,0,0,0|1,1,0]=4 245 B6R1.2 CC1=CNC=C1 HR13921 [2,0,0,0,0,0|2,0,0]=4 246 B6R1.2 CC1=CNC=N1 HR7153 [2,0,0,0,0,0|2,0,0]=4 247 B6R1.2 CC1=COC=C1 HR125178 [2,0,0,0,0,0|2,0,0]=4 248 B6R1.2 CC1=COC=N1 HR121299 [2,0,0,0,0,0|2,0,0]=4 249 B6R1.2 CC1=CSC=N1 HR132874 [2,0,0,0,0,0|2,0,0]=4 250 B6R1.2 CC1=NC=CN1 HR135019 [2,0,0,0,0,0|2,0,0]=4 251 B6R1.2 CC1=NC=CS1 HR128073 [2,0,0,0,0,0|1,1,0]=4 252 B6R1.2 CC1=NNC=C1 HR13253 [2,0,0,0,0,0|2,0,0]=4 253 B6R1.2 CC1=NOC=C1 HR104498 [2,0,0,0,0,0|2,0,0]=4 254 B6R1.2 CC1=NSC=C1 HR105128 [2,0,0,0,0,0|2,0,0]=4 255 B6R1.2 CN1C=CC=C1 HR131584 [2,0,0,0,0,0|2,0,0]=4 256 B6R1.2 CN1C=CC=N1 HR128244 [2,0,0,0,0,0|2,0,0]=4 257 B6R1.2 ClC1=CC=CS1 HR130520 [2,0,0,0,0,0|1,1,0]=4 258 B6R1.2 ClC1=NC=CO1 HR102063 [2,0,0,0,0,0|2,0,0]=4 259 B6R1.2 FC1=CC=CS1 HR116433 [2,0,0,0,0,0|1,1,0]=4 260 B6R1.2 IC1=CC=CS1 HR133352 [2,0,0,0,0,0|1,1,0]=4 261 B6R1.2 NC1=CC=CN1 HR107433 [2,0,0,0,0,0|2,0,0]=4 262 B6R1.2 NC1=CC=CS1 HR102647 [2,0,0,0,0,0|1,1,0]=4 263 B6R1.2 NC1=CC=NO1 HR120254 [2,0,0,0,0,0|2,0,0]=4 264 B6R1.2 NC1=NC=CO1 HR133033 [2,0,0,0,0,0|2,0,0]=4 265 B6R1.2 O=C1C=CCO1 HR119486 [2,0,0,0,0,0|0,1,1]=4 266 B6R1.2 O=C1OC=CO1 HR128933 [2,0,0,0,0,0|1,1,0]=4 267 B6R1.2 SC1=CC=CS1 HR128217 [2,0,0,0,0,0|0,1,0]=3 268 B6R1.2 SC1=CSC=C1 HR103982 [2,0,0,0,0,0|2,0,0]=4 269 B6R1.2 SC1=NC=CS1 HR127107 [2,0,0,0,0,0|1,1,0]=4 270 B8R0.4 CCC\C=C\C=C\C=O HR129261 [0,1,1,0,0,0|1,0,1]=4 271 B8R0.4 CCC\C=C\C=C\C=O HR144535 [0,1,1,0,0,0|1,0,1]=4 272 B8R0.6 C=CC(=O)OCCOC HR136408 [0,1,1,0,0,0|0,1,1]=4 273 B8R1.1 BrCC1=CC=C(Br)S1 HR102730 [1,1,0,0,0,0|1,1,0]=4 274 B8R1.1 CC1=CC=C(C=O)O1 HR131275 [1,1,0,0,0,0|0,1,1]=4 275 B8R1.1 CC1=CC=C(CN)S1 HR103044 [1,1,0,0,0,0|1,1,0]=4 276 B8R1.1 CC1=CC=C(CO)O1 HR141630 [1,1,0,0,0,0|0,1,0]=3 277 B8R1.1 CC1=CSC(CO)=C1 HR155961 [1,1,0,0,0,0|0,2,0]=4 278 B8R1.1 CC1=NOC(CBr)=C1 HR106983 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.1 CC1=NOC(CN)=C1 HR118262 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.1 CC1=NOC(CO)=C1 HR108372 [1,1,0,0,0,0|1,1,0]=4 281 B8R1.1 CCC1=CC(N)=NN1 HR103219 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.1 CCC1=CC=C(C)S1 HR107230 [1,1,0,0,0,0|0,1,0]=3 283 B8R1.1 CCC1=CCC(C)=C1 HR108113 [1,1,0,0,0,0|1,0,1]=4 284 B8R1.1 CCC1=CN=C(C)N1 HR134215 [1,1,0,0,0,0|2,0,0]=4 285 B8R1.1 CCC1=NC(C)=CN1 HR127274 [1,1,0,0,0,0|2,0,0]=4 286 B8R1.1 CCC1=NC(C)=CS1 HR130200 [1,1,0,0,0,0|1,1,0]=4 287 B8R1.1 CCC1=NOC(N)=C1 HR107744 [1,1,0,0,0,0|2,0,0]=4 288 B8R1.1 CCN1C=C(Br)C=N1 HR153172 [1,1,0,0,0,0|2,0,0]=4 289 B8R1.1 CCN1C=CC(N)=N1 HR118461 [1,1,0,0,0,0|2,0,0]=4 290 B8R1.1 COC1=CC(N)=NO1 HR129051 [1,1,0,0,0,0|1,1,0]=4 291 B8R1.1 CSC1=CC(Br)=CS1 HR153247 [1,1,0,0,0,0|0,1,0]=3 292 B8R1.1 CSC1=CC(C)=CS1 HR153245 [1,1,0,0,0,0|0,1,0]=3 293 B8R1.1 CSC1=CC=C(Br)S1 HR153255 [1,1,0,0,0,0|0,1,0]=3 294 B8R1.1 CSC1=CC=C(C)O1 HR132044 [1,1,0,0,0,0|0,0,0]=2 295 B8R1.1 CSC1=CN=C(N)S1 HR114688 [1,1,0,0,0,0|1,1,0]=4 296 B8R1.1 CSC1=NNC(N)=C1 HR117112 [1,1,0,0,0,0|2,0,0]=4 297 B8R1.1 ClCC1=CC=C(Cl)S1 HR103396 [1,1,0,0,0,0|1,1,0]=4 298 B8R1.1 NCC1=CC=C(Br)S1 HR103535 [1,1,0,0,0,0|1,1,0]=4 299 B8R1.1 NCC1=CC=C(Cl)S1 HR120256 [1,1,0,0,0,0|1,1,0]=4 300 B8R1.1 NCc1cc(Br)no1 HR106352 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.1 O=C1C=CC(CO)O1 HR108465 [1,1,0,0,0,0|0,1,1]=4 302 B8R1.1 O=C1C=CC(CO)O1 HR7063 [1,1,0,0,0,0|0,1,1]=4 303 B8R1.1 O=CC1=CC(Br)=CO1 HR121241 [1,1,0,0,0,0|0,1,1]=4 304 B8R1.1 O=CC1=CC=C(Br)O1 HR139603 [1,1,0,0,0,0|0,1,1]=4 305 B8R1.1 O=CC1=CC=C(I)O1 HR117581 [1,1,0,0,0,0|0,1,1]=4 306 B8R1.1 OCC1=CC(Br)=CS1 HR142417 [1,1,0,0,0,0|0,2,0]=4 307 B8R1.1 OCC1=CC(Br)=NO1 HR119733 [1,1,0,0,0,0|1,1,0]=4 308 B8R1.1 OCC1=CC=C(Br)S1 HR115761 [1,1,0,0,0,0|0,2,0]=4 309 B8R1.7 CC(=O)C1=CC=CN1 HR125135 [1,1,0,0,0,0|1,0,1]=4 310 B8R1.7 CC(=O)C1=CC=CO1 HR129914 [1,1,0,0,0,0|0,0,1]=3 311 B8R1.7 CC(=O)C1=CC=CS1 HR125914 [1,1,0,0,0,0|0,1,1]=4 312 B8R1.7 CC(=O)C1=CC=NO1 HR112153 [1,1,0,0,0,0|1,0,1]=4 313 B8R1.7 CC(=O)C1=NC=CO1 HR121608 [1,1,0,0,0,0|1,0,1]=4 314 B8R1.7 CC(C)C1=CC=CO1 HR128818 [1,1,0,0,0,0|0,0,0]=2 315 B8R1.7 CC(C)C1=NC=CN1 HR125779 [1,1,0,0,0,0|2,0,0]=4 316 B8R1.7 CC(C)C1=NNC=C1 HR110885 [1,1,0,0,0,0|2,0,0]=4 317 B8R1.7 CC(C)N1C=CC=N1 HR156584 [1,1,0,0,0,0|2,0,0]=4 318 B8R1.7 CC(N)C1=CC=CS1 HR106452 [1,1,0,0,0,0|0,1,0]=3 319 B8R1.7 CC(N)C1=NC=CS1 HR108496 [1,1,0,0,0,0|1,1,0]=4 320 B8R1.7 CC(O)C1=CC=CO1 HR110830 [1,1,0,0,0,0|0,0,0]=2 321 B8R1.7 CC(O)[C-]1C=CC=C1 HR144639 [1,1,0,0,0,0|1,0,1]=4 322 B8R1.7 NC(=S)C1=CC=CO1 HR109484 [1,1,0,0,0,0|0,0,2]=4 323 B8R1.7 O=C(Cl)c1ccco1 HR144597 [1,1,0,0,0,0|0,1,1]=4 324 B8R1.7 O=C(O)C1=CC=CO1 HR127796 [1,1,0,0,0,0|0,1,1]=4 325 B8R1.7 OB(O)C1=CC=CO1 HR124782 [1,1,0,0,0,0|1,1,0]=4 326 B8R1.11 CC1=C(CN)SC=C1 HR120374 [1,1,0,0,0,0|1,1,0]=4 327 B8R1.11 CC1=C(CO)OC=N1 HR103087 [1,1,0,0,0,0|1,1,0]=4 328 B8R1.11 CC1=C(CO)SC=C1 HR109280 [1,1,0,0,0,0|0,2,0]=4 329 B8R1.11 CCN1N=CC=C1N HR136975 [1,1,0,0,0,0|2,0,0]=4 330 B8R1.11 CSC1=C(Br)C=CS1 HR153246 [1,1,0,0,0,0|0,1,0]=3 331 B8R1.11 CSC1=C(C)OC=C1 HR141531 [1,1,0,0,0,0|2,0,0]=4 332 B8R1.11 NC1=C(C=O)OC=C1 HR116880 [1,1,0,0,0,0|0,1,1]=4 333 B8R1.11 O=CC1=C(Br)C=CO1 HR117201 [1,1,0,0,0,0|0,1,1]=4 334 B10R1.1 CCCC1=CC=C(Br)C=C1 HR123646 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.1 CCCC1=CC=C(I)C=C1 HR129234 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.1 CCCC1=CC=C(N)C=C1 HR131202 [0,1,0,0,0,1|2,0,0]=4 337 B10R1.1 CCCC1=CC=C(O)C=C1 HR132793 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.1 CNCC1=CC=C(Br)C=C1 HR115034 [0,1,0,0,0,1|2,0,0]=4 339 B10R1.1 CNCC1=CC=C(C)C=C1 HR104938 [0,1,0,0,0,1|2,0,0]=4 340 B10R1.1 CNCC1=CC=C(Cl)C=C1 HR114398 [0,1,0,0,0,1|2,0,0]=4 341 B10R1.1 CNCC1=CC=C(F)C=C1 HR114089 [0,1,0,0,0,1|2,0,0]=4 342 B10R1.1 CNCC1=CC=C(N)C=C1 HR123435 [0,1,0,0,0,1|2,0,0]=4 343 B10R1.1 COCC1=CC=C(Br)C=C1 HR153639 [0,1,0,0,0,1|1,1,0]=4 344 B10R1.1 COCC1=CC=C(O)C=C1 HR118976 [0,1,0,0,0,1|1,1,0]=4 345 B10R1.1 COCC1=CN=C(Br)C=C1 HR152694 [0,1,0,0,0,1|1,1,0]=4 346 B10R1.1 COCC1=NC=C(Br)C=C1 HR153314 [0,1,0,0,0,1|1,1,0]=4 347 B10R1.4 CCCC1=C(C)C=CN=C1 HR152912 [0,1,0,0,0,1|2,0,0]=4 348 B10R1.4 CCCC1=C(N)C=CC=C1 HR101743 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.4 CCCC1=NC=NC=C1Br HR107265 [0,1,0,0,0,1|2,0,0]=4 350 B10R1.4 CNCC1=C(F)C=CC=C1 HR147096 [0,1,0,0,0,1|2,0,0]=4 351 B10R1.4 COCC1=C(Br)C=CC=C1 HR33821 [0,1,0,0,0,1|1,1,0]=4 352 B10R1.10 CCCC1=CC(N)=NC=C1 HR110640 [0,1,0,0,0,1|2,0,0]=4 353 B10R1.10 CCCC1=CC=CC(N)=C1 HR150831 [0,1,0,0,0,1|2,0,0]=4 354 B10R1.10 CCCC1=CC=CC(N)=N1 HR111110 [0,1,0,0,0,1|2,0,0]=4 355 B10R1.10 CNCC1=CC(Br)=CC=C1 HR114712 [0,1,0,0,0,1|2,0,0]=4 356 B10R1.10 CNCC1=CC(Br)=CN=C1 HR147684 [0,1,0,0,0,1|2,0,0]=4 357 B10R1.10 CNCC1=CC(Cl)=CC=C1 HR110870 [0,1,0,0,0,1|2,0,0]=4 358 B10R1.10 CNCC1=CC(Cl)=CC=C1 HR139287 [0,1,0,0,0,1|2,0,0]=4 359 B10R1.10 CNCC1=CC(F)=CC=C1 HR114381 [0,1,0,0,0,1|2,0,0]=4 360 B10R1.10 CNCC1=CC=CC(N)=C1 HR145023 [0,1,0,0,0,1|2,0,0]=4 361 B10R1.10 COCC1=CC(=O)C=CN1 HR103462 [0,1,0,0,0,1|1,1,0]=4 362 B10R1.10 COCC1=CC=CC(Br)=C1 HR153763 [0,1,0,0,0,1|1,1,0]=4 363 B10R1.10 COCC1=CC=CC(F)=C1 HR117513 [0,1,0,0,0,1|1,1,0]=4 364 B10R1.10 COCC1=CN=CC(Br)=C1 HR152657 [0,1,0,0,0,1|1,1,0]=4 365 B10R1.15 CCC(N)C1=CC=CC=C1 HR116998 [0,1,0,0,0,1|2,0,0]=4 366 B10R1.15 CCC(N)C1=CC=CC=C1 HR6025 [0,1,0,0,0,1|2,0,0]=4 367 B10R1.15 CCC(O)C1=CC=CC=C1 HR135505 [0,1,0,0,0,1|2,0,0]=4 368 B10R1.15 CCC(O)c1ccccc1 HR104663 [0,1,0,0,0,1|2,0,0]=4 369 B10R1.15 CCC(O)c1ccccc1 HR141130 [0,1,0,0,0,1|2,0,0]=4 370 B10R1.15 CNC(C)C1=CC=CC=C1 HR114656 [0,1,0,0,0,1|2,0,0]=4 371 B10R1.15 CNC(C)C1=CC=CC=C1 HR120386 [0,1,0,0,0,1|2,0,0]=4 372 B10R1.15 CNC(C)C1=CC=CN=C1 HR120877 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.17 BrCCCC1=CC=CC=C1 HR106413 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.17 CCCCC1=NC=CC=C1 HR130041 [0,1,0,0,0,1|2,0,0]=4 375 B10R1.17 CCCCC1=NC=CN=C1 HR117547 [0,1,0,0,0,1|2,0,0]=4 376 B10R1.17 CCCNC1=CC=CC=C1 HR129739 [0,1,0,0,0,1|2,0,0]=4 377 B10R1.17 CCCOC1=CC=CC=C1 HR112246 [0,1,0,0,0,1|2,0,0]=4 378 B10R1.17 CCNCC1=CC=CC=C1 HR126061 [0,1,0,0,0,1|2,0,0]=4 379 B10R1.17 CCNCC1=CC=CN=C1 HR144925 [0,1,0,0,0,1|2,0,0]=4 380 B10R1.17 CCNCC1=CC=NC=C1 HR123024 [0,1,0,0,0,1|2,0,0]=4 381 B10R1.17 CCOCC1=CC=CC=C1 HR135944 [0,1,0,0,0,1|1,1,0]=4 382 B10R1.17 CNCCC1=CC=NC=C1 HR145120 [0,1,0,0,0,1|2,0,0]=4 383 B10R1.17 CNCCc1ccccc1 HR117849 [0,1,0,0,0,1|2,0,0]=4 384 B10R1.17 CNCCc1ccccn1 HR108850 [0,1,0,0,0,1|2,0,0]=4 385 B10R1.17 CNCCc1ccccn1 HR138471 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.17 CNCCc1ccccn1 HR138733 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.17 COCCC1=CC=CC=C1 HR133177 [0,1,0,0,0,1|1,1,0]=4 388 B10R1.17 CSSCC1=CC=CC=C1 HR127315 [0,1,0,0,0,1|1,0,0]=3 389 B10R1.17 ClCCCC1=CC=CC=C1 HR126996 [0,1,0,0,0,1|2,0,0]=4 390 B10R1.17 NCCCC1=CC=CC=C1 HR143725 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.17 NCCCC1=NC=CC=C1 HR110635 [0,1,0,0,0,1|2,0,0]=4 392 B10R1.17 OCCCC1=CC=CC=C1 HR132460 [0,1,0,0,0,1|2,0,0]=4 393 B10R1.17 OCCCC1=CC=NC=C1 HR135105 [0,1,0,0,0,1|2,0,0]=4 394 B10R1.17 OCCCc1ccccn1 HR136000 [0,1,0,0,0,1|2,0,0]=4 395 B10R1.17 OCOCC1=CC=CC=C1 HR100600 [0,1,0,0,0,1|1,1,0]=4 396 B10R1.18 C=C(C)CC1=CC=CC=C1 HR102748 [0,1,0,0,0,1|2,0,0]=4 397 B10R1.18 CC(=O)CC1=CC=CN=C1 HR119668 [0,1,0,0,0,1|2,0,0]=4 398 B10R1.18 CC(=O)CC1=CC=NC=C1 HR139369 [0,1,0,0,0,1|2,0,0]=4 399 B10R1.18 CC(=O)CC1=NC=CC=C1 HR147177 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.18 CC(Br)CC1=CC=CC=C1 HR139183 [0,1,0,0,0,1|2,0,0]=4 401 B10R1.18 CC(C)CC1=NC=CC=C1 HR131358 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.18 CC(C)CC1=NC=CN=C1 HR134173 [0,1,0,0,0,1|2,0,0]=4 403 B10R1.18 CC(O)CC1=CC=CC=C1 HR126017 [0,1,0,0,0,1|2,0,0]=4 404 B10R1.18 CC(O)CC1=CC=CC=C1 HR141229 [0,1,0,0,0,1|2,0,0]=4 405 B10R1.18 C[Si](C)CC1=CC=CC=C1 HR116399 [0,1,0,0,0,1|2,0,0]=4 406 B10R1.14 CCC(=O)C1=CC=C(C)O1 HR141697 [0,2,0,0,0,0|1,0,1]=4 407 B10R1.14 COC(=O)C1=CC(Br)=CO1 HR121311 [0,2,0,0,0,0|0,1,1]=4 408 B10R1.14 COC(=O)C1=CC=C(Br)O1 HR103271 [0,2,0,0,0,0|0,1,1]=4 409 B10R1.14 COC(=O)C1=CC=C(C)O1 HR108167 [0,2,0,0,0,0|0,1,1]=4 410 B10R1.16 CSSCc1ccc(C)o1 HR121074 [0,2,0,0,0,0|0,0,0]=2 411 B10R1.96 CCCC1=CC=C(C=O)S1 HR153372 [0,2,0,0,0,0|1,1,0]=4 412 B10R1.96 COCC1=CC=C(C=O)O1 HR119255 [0,2,0,0,0,0|0,1,0]=3 413 B10R1.96 COCC1=CC=C(C=O)S1 HR153354 [0,2,0,0,0,0|0,2,0]=4 414 B10R1.96 COCC1=CC=C(CO)S1 HR153386 [0,2,0,0,0,0|0,2,0]=4 415 B10R1.11 CCOC(=O)C1=CC=CO1 HR131883 [0,2,0,0,0,0|0,1,1]=4 416 B10R1.149 COC(=O)C1=C(C)C=CO1 HR128331 [0,2,0,0,0,0|0,1,1]=4 417 B10R1.149 COC(=O)C1=C(N)C=CO1 HR119353 [0,2,0,0,0,0|0,1,1]=4 418 B10R1.21 CCCCCC1=CC=CO1 HR126128 [0,2,0,0,0,0|1,0,0]=3 419 B10R1.21 CCCCCC1=CC=CS1 HR130563 [0,2,0,0,0,0|1,1,0]=4 420 B10R1.27 COC(=O)CC1=CC=CS1 HR114379 [0,2,0,0,0,0|0,2,0]=4 421 B10R1.66 CC(=O)OCC1=CC=CO1 HR128138 [0,2,0,0,0,0|0,1,0]=3 422 B10R1.66 CC(=S)OCC1=CC=CO1 HR138137 [0,2,0,0,0,0|0,1,0]=3 423 B10R1.66 CC(C)SCC1=CC=CO1 HR129515 [0,2,0,0,0,0|0,0,0]=2 424 B10R1.66 O=C(O)CCC1=CC=CO1 HR138114 [0,2,0,0,0,0|1,0,1]=4 425 B8R1.2 CSC1=CC=CC=C1 HR122762 [0,0,1,1,0,0|1,0,1]=4 426 B8R1.2 CSC1=NC=CC=C1 HR131827 [0,0,1,1,0,0|1,0,1]=4 427 B8R1.5 CC1=NC=CC=C1O HR6626 [0,0,1,1,0,0|2,0,0]=4 428 B8R1.4 CC1=CC(O)=CC=C1 IDSA06810 [0,0,1,1,0,0|1,0,1]=4 429 B8R1.4 CC1=CC=CC(O)=N1 HR102304 [0,0,1,1,0,0|2,0,0]=4 430 B8R1.4 CC1=CC=CC(O)=N1 HR123689 [0,0,1,1,0,0|2,0,0]=4 431 B8R1.4 O=C1CSCC(=O)O1 HR100358 [0,0,1,1,0,0|2,0,0]=4 432 B10R2.6 C1=CC(C2CC2)=CC=N1 HR152661 [0,0,0,1,0,1|2,0,0]=4 433 B10R2.6 C1=CC=C(C2CO2)C=C1 HR123720 [0,0,0,1,0,1|1,1,0]=4 434 B10R2.6 C1=CC=C(C2CO2)C=C1 HR135064 [0,0,0,1,0,1|1,1,0]=4 435 B10R2.6 C1=CC=C(C2CO2)C=C1 HR147513 [0,0,0,1,0,1|1,1,0]=4 436 B10R2.7 C1=CC2=C(C=N1)CNC2 HR102881 [0,0,0,1,0,1|2,0,0]=4 437 B10R2.7 C1=CC2=C(C=N1)CNC2 HR112947 [0,0,0,1,0,1|2,0,0]=4 438 B10R2.7 C1=CC=C2CCCC2=C1 HR139551 [0,0,0,1,0,1|2,0,0]=4 439 B10R2.7 C1=CC=C2CNCC2=C1 HR32234 [0,0,0,1,0,1|2,0,0]=4 440 B10R2.7 C1=CC=C2COCC2=C1 HR103221 [0,0,0,1,0,1|1,1,0]=4 441 B10R2.7 C1=CN=C2CNCC2=C1 HR119159 [0,0,0,1,0,1|2,0,0]=4 442 B10R2.7 C1=CN=C2CNCC2=C1 HR127230 [0,0,0,1,0,1|2,0,0]=4 443 B10R2.7 C1=CN=C2CNCC2=N1 HR33707 [0,0,0,1,0,1|2,0,0]=4 444 B10R2.7 C1=NC=NC2=C1CNC2 HR116616 [0,0,0,1,0,1|2,0,0]=4 445 B10R2.7 c1ccc2c(c1)CNC2 HR127773 [0,0,0,1,0,1|2,0,0]=4 446 B10R2.7 c1cnc2c(c1)CCC2 HR128445 [0,0,0,1,0,1|2,0,0]=4 447 B10R2.7 c1ncc2c(n1)CNC2 HR112133 [0,0,0,1,0,1|2,0,0]=4 448 B10R2.2 O=C1CC2=CC=CN2C1 HR146305 [0,1,0,1,0,0|2,0,0]=4