0 B11R1.40 CCC(O)CC1=CC=CC=C1 103563 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.40 CNC(=O)CC1=CC=CC=C1 449006 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.40 CNC(=O)NC1=CC=CC=C1 342108 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.40 CNC(=O)OC1=CC=CC=C1 104150 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.40 CNC(=S)NC1=CC=CC=C1 018860 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.40 COC(=O)CC1=NC=CC=C1 092468 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 C\C(=C/C1=CC=CC=C1)CO 531267 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.40 NNC(=O)NC1=CC=CC=C1 358181 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.40 NNC(=S)NC1=CC=CC=C1 011215 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 M04116 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 317870 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.40 N\C(CC1=CC=CC=C1)=N/O 033305 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.40 O=C(CC1=CC=CC=C1)NO 188889 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.40 O[C@H](CCl)CC1=CC=CC=C1 036095 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.17 BrCCCC1=CC=CC=C1 113800 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.17 BrCCOC1=CC=CC=C1 210427 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 BrCCSC1=CC=CC=C1 003535 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.17 C#CCCC1=CC=CC=C1 062967 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.17 C(=O)NCC1=CC=CC=C1 300142 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.17 C=CCCC1=CC=CC=C1 342184 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.17 C=CCOC1=CC=CC=C1 242682 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.17 C=CCSC1=CC=CC=C1 003665 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.17 CCC#CC1=CC=CC=C1 103664 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.17 CCCCC1=CC=CC=C1 240933 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.17 CCCC[N+]1=CC=CC=C1 237751 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.17 CCCNC1=CC=CC=C1 324115 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.17 CCCSC1=CC=CC=C1 094618 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.17 CCCSC1=NC=CC=C1 097642 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.17 CCNCC1=CC=CC=C1 239060 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.17 CCNCC1=CC=CN=C1 046110 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.17 CCOCC1=CC=CC=C1 240434 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.17 CCSCC1=CC=CC=C1 094637 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.17 CNCCC1=CC=CC=C1 046956 [1,0,0,0,0,0|0,0,0]=1 33 B10R1.17 CNCCC1=NC=CC=C1 065480 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.17 ClCCCC1=CC=CC=C1 320132 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.17 ClCCSC1=CC=CC=C1 003536 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.17 ClCOCC1=CC=CC=C1 106900 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.17 ICCOC1=CC=CC=C1 313818 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.17 N#CCCC1=CC=CC=C1 337065 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.17 N#CCOC1=CC=CC=C1 239898 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.17 N#CCSC1=CC=CC=C1 003773 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.17 NCCCC1=CC=CC=C1 008890 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.17 NCCNC1=CC=CC=C1 320056 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.17 NCCOC1=CC=CC=C1 078737 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.17 O=CCCC1=CC=CC=C1 237467 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.17 O=COCC1=CC=CC=C1 240742 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.17 OCCCC1=CC=CC=C1 241187 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.17 OCCCC1=CC=CN=C1 032639 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.17 OCCCC1=CC=NC=C1 093367 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.17 OCCCC1=NC=CC=C1 234266 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.17 OCCNC1=CC=CC=C1 240954 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.17 OCCOC1=CC=CC=C1 005091 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.17 OCCSC1=CC=CC=C1 003534 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.17 S=C=NCC1=CC=CC=C1 002504 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 342017 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.18 CC(=O)NC1=CC=CC=C1 098888 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.18 CC(=O)NC1=CC=CC=C1 236729 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.18 CC(=O)OC1=CC=CC=C1 106321 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.18 CC(=O)SC1=CC=CC=C1 180205 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.18 CC(Br)CC1=CC=CC=C1 243231 [1,0,0,0,0,0|1,0,0]=2 60 B10R1.18 CC(C)CC1=CC=NC=C1 032546 [1,0,0,0,0,0|1,0,0]=2 61 B10R1.18 CC(C)NC1=CC=CC=C1 079480 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.18 CC(C)OC1=CC=CC=C1 038454 [1,0,0,0,0,0|1,0,0]=2 63 B10R1.18 CC(O)CC1=CC=CC=C1 339985 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.18 CN(C)CC1=CC=CC=C1 102405 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 036085 [1,0,0,0,0,0|1,0,0]=2 66 B10R1.18 C[C@H](O)CC1=CC=CC=C1 036086 [1,0,0,0,0,0|1,0,0]=2 67 B10R1.18 NC(=O)CC1=CC=CC=C1 018952 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.18 NC(=O)OC1=CC=CC=C1 180113 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.18 NC(=S)CC1=CC=CC=C1 047341 [1,0,0,0,0,0|1,0,1]=3 70 B10R1.18 NC(=S)NC1=CC=CC=C1 358215 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.18 O=C(Cl)CC1=CC=CC=C1 099401 [1,0,0,0,0,0|2,0,1]=4 72 B12R1.32 CCNC(=O)NC1=CC=CC=C1 342140 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.32 CN(CCN)CC1=CC=CC=C1 033861 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.32 CN(CCO)CC1=CC=CC=C1 214692 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 066747 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 246440 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 180737 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 375328 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 342262 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 222157 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 093736 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 078970 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 078724 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 018766 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 095425 [0,1,0,0,0,0|1,0,1]=3 86 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 M02966 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 093728 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 404464 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O M02961 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O M02934 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 433344 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 003388 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O 222744 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 314877 [0,1,0,0,0,0|1,0,1]=3 95 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 043034 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 094941 [0,1,0,0,0,0|2,0,1]=4 97 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 092183 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 032725 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 038714 [0,1,0,0,0,0|2,0,1]=4 100 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 023575 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 037384 [0,1,0,0,0,0|2,0,1]=4 102 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 043036 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 079676 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.50 COC(=O)CC1=CC=CC(C)=C1 239817 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 240144 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 209392 [0,1,0,0,0,0|2,0,1]=4 107 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 219776 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 209399 [0,1,0,0,0,0|0,0,0]=1 109 B12R1.118 COC(CC1=CC=CC=C1)OC 103319 [0,1,0,0,0,0|1,0,0]=2 110 B12R1.371 CNC(=O)CC1=C(C)C=CC=C1 102549 [0,1,0,0,0,0|1,0,1]=3 111 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 043033 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 097777 [0,1,0,0,0,0|2,0,1]=4 113 B12R1.371 COC(=O)CC1=C(F)C=CC=C1 043032 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.371 COC(=O)CC1=CC=CC=C1Cl 223690 [0,1,0,0,0,0|2,0,1]=4 115 B12R1.371 COC(=O)CC1=CC=CC=C1O 234007 [0,1,0,0,0,0|2,0,1]=4 116 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 223002 [0,0,0,1,0,0|2,0,1]=4 117 B12R2.18 CC1=CC2=C(C=CC=C2)N1C 078998 [0,0,0,1,0,0|0,0,2]=3 118 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 180299 [0,0,0,1,0,0|2,0,1]=4 119 B12R2.18 CN1C(Cl)=NC2=C1C=CC=C2 060374 [0,0,0,1,0,0|2,0,1]=4 120 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 030161 [0,0,0,1,0,0|2,0,1]=4 121 B12R2.18 CN1CC2=CC=CC=C2C1N 102477 [0,0,0,1,0,0|3,0,0]=4 122 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O 012694 [0,0,0,1,0,0|3,0,0]=4 123 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O 012689 [0,0,0,1,0,0|3,0,0]=4 124 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O 012693 [0,0,0,1,0,0|3,0,0]=4 125 B12R2.18 OC1C2=CC=CC=C2CC1Br 003061 [0,0,0,1,0,0|3,0,0]=4 126 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 012252 [0,0,0,1,0,0|2,0,1]=4 127 B12R2.24 S=C1NCC2=C(C=CC=C2)S1 190132 [0,0,0,1,0,0|2,0,1]=4 128 B12R2.32 ON=C1CC2=C(C=CC=C2)C1 098928 [0,0,0,1,0,0|1,0,2]=4 129 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 033397 [0,0,0,1,0,0|3,0,0]=4 130 B10R1.15 C(=O)C(C)C1=CC=CC=C1 003859 [0,0,0,0,1,0|2,0,0]=3 131 B10R1.15 CC(C#N)C1=CC=CC=C1 001059 [0,0,0,0,1,0|2,0,0]=3 132 B10R1.15 CC(CN)C1=CC=CC=C1 008888 [0,0,0,0,1,0|2,0,0]=3 133 B10R1.15 CCC(=O)C1=CC=CC=C1 094675 [0,0,0,0,1,0|2,0,1]=4 134 B10R1.15 CCC(C)C1=CC=CC=C1 094615 [0,0,0,0,1,0|1,0,0]=2 135 B10R1.15 CCC(O)C1=CC=CC=C1 242652 [0,0,0,0,1,0|2,0,0]=3 136 B10R1.15 CCN(C)C1=CC=CC=C1 092421 [0,0,0,0,1,0|2,0,0]=3 137 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 208825 [0,0,0,0,1,0|2,0,0]=3 138 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 103637 [0,0,0,0,1,0|2,0,0]=3 139 B10R1.15 CC[C@H](N)C1=CC=CC=C1 227613 [0,0,0,0,1,0|2,0,0]=3 140 B10R1.15 CN(C=O)C1=CC=CC=C1 208822 [0,0,0,0,1,0|3,0,0]=4 141 B10R1.15 CNC(=O)C1=CC=CC=C1 341719 [0,0,0,0,1,0|1,0,1]=3 142 B10R1.15 CNC(=O)C1=CC=CN=C1 180107 [0,0,0,0,1,0|2,0,1]=4 143 B10R1.15 CNC(=S)C1=CC=CC=C1 180197 [0,0,0,0,1,0|1,0,1]=3 144 B10R1.15 CNC(C)C1=CC=CC=C1 371108 [0,0,0,0,1,0|0,0,0]=1 145 B10R1.15 CN[C@H](C)C1=CC=CC=C1 337064 [0,0,0,0,1,0|0,0,0]=1 146 B10R1.15 COC(=O)C1=CC=CC=C1 223218 [0,0,0,0,1,0|2,0,1]=4 147 B10R1.15 COS(=O)C1=CC=CC=C1 023251 [0,0,0,0,1,0|3,0,0]=4 148 B10R1.15 N#CC(O)C1=CC=CC=C1 403371 [0,0,0,0,1,0|3,0,0]=4 149 B10R1.15 N#C[C@@H](N)C1=CC=CC=C1 324116 [0,0,0,0,1,0|3,0,0]=4 150 B10R1.15 NC(CO)C1=CC=CC=C1 364268 [0,0,0,0,1,0|3,0,0]=4 151 B10R1.15 NCC(O)C1=CC=CC=C1 008897 [0,0,0,0,1,0|3,0,0]=4 152 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 318280 [0,0,0,0,1,0|3,0,0]=4 153 B10R1.15 NC[C@H](O)C1=CC=CC=C1 077860 [0,0,0,0,1,0|3,0,0]=4 154 B10R1.15 NNC(=O)C1=CC=CC=C1 227678 [0,0,0,0,1,0|2,0,1]=4 155 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 040100 [0,0,0,0,1,0|3,0,0]=4 156 B10R1.15 N[C@H](CO)C1=CC=CC=C1 034311 [0,0,0,0,1,0|3,0,0]=4 157 B10R1.15 O=C(NO)C1=CC=CC=C1 317419 [0,0,0,0,1,0|2,0,1]=4 158 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 103828 [0,0,0,0,1,0|3,0,0]=4 159 B12R1.27 CNC(=O)CCC1=CC=CC=C1 105160 [0,0,0,0,0,1|1,0,1]=3 160 B12R1.27 CNC(=S)NCC1=CC=CC=C1 018213 [0,0,0,0,0,1|1,0,1]=3 161 B12R1.27 COC(=O)CCC1=CC=CC=C1 078491 [0,0,0,0,0,1|2,0,1]=4 162 B12R1.27 COC(=O)COC1=CC=CC=C1 001024 [0,0,0,0,0,1|2,0,1]=4 163 B12R1.27 COC(=O)CSC1=CC=CC=C1 003766 [0,0,0,0,0,1|2,0,1]=4 164 B12R1.27 NCC(O)COC1=CC=CC=C1 471059 [0,0,0,0,0,1|3,0,0]=4 165 B12R1.27 NNC(=O)OCC1=CC=CC=C1 018210 [0,0,0,0,0,1|2,0,1]=4 166 B12R1.27 NNC(=S)NCC1=CC=CC=C1 018233 [0,0,0,0,0,1|2,0,1]=4 167 B12R1.27 OCC(O)COC1=CC=CC=C1 001784 [0,0,0,0,0,1|3,0,0]=4 168 B9R0.45 CCCC\C=C\C=C\C=O 106729 [1,0,1,0,0,0|2,0,0]=4 169 B9R1.8 BrCCC1=CC=CC=C1 019261 [2,0,0,0,0,0|1,0,0]=3 170 B9R1.8 C#CCC1=CC=CC=C1 080054 [2,0,0,0,0,0|0,0,2]=4 171 B9R1.8 C=CCC1=CC=CC=C1 005425 [2,0,0,0,0,0|0,0,2]=4 172 B9R1.8 CC#CC1=CC=CC=C1 166000 [2,0,0,0,0,0|0,0,2]=4 173 B9R1.8 CCCC1=CC=CC=C1 095067 [2,0,0,0,0,0|0,0,0]=2 174 B9R1.8 CCCC1=CC=NC=C1 235894 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.8 CCCC1=NC=CC=C1 242850 [2,0,0,0,0,0|1,0,0]=3 176 B9R1.8 CCCC1=NC=CN=C1 002735 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.8 CCNC1=CC=CC=C1 216665 [2,0,0,0,0,0|1,0,0]=3 178 B9R1.8 CCOC1=CC=CC=C1 098890 [2,0,0,0,0,0|1,0,0]=3 179 B9R1.8 CCOC1=NC=CC=C1 049694 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.8 CCSC1=CC=CC=C1 001759 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.8 CCSC1=NC=CC=C1 095363 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.8 CNCC1=CC=CC=C1 020695 [2,0,0,0,0,0|0,0,0]=2 183 B9R1.8 CNCC1=CC=NC=C1 046176 [2,0,0,0,0,0|1,0,0]=3 184 B9R1.8 CSCC1=CC=CC=C1 099640 [2,0,0,0,0,0|1,0,0]=3 185 B9R1.8 C\C=C/C1=CC=CC=C1 167700 [2,0,0,0,0,0|0,0,2]=4 186 B9R1.8 C\C=C\C1=CC=CC=C1 018868 [2,0,0,0,0,0|0,0,2]=4 187 B9R1.8 C\N=C\C1=CC=CC=C1 240625 [2,0,0,0,0,0|0,0,2]=4 188 B9R1.8 ClCCC1=CC=CC=C1 208883 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.8 ClCCC1=CC=CC=N1 070463 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.8 Cl[Mg]CC1=CC=CC=C1 103558 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.8 ICCC1=CC=CC=C1 001087 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.8 NCCC1=CC=CC=C1 046873 [2,0,0,0,0,0|0,0,0]=2 193 B9R1.8 NCCC1=CC=CN=C1 010689 [2,0,0,0,0,0|1,0,0]=3 194 B9R1.8 NCCC1=CC=CN=C1 033239 [2,0,0,0,0,0|1,0,0]=3 195 B9R1.8 NCCC1=CC=CN=C1 065473 [2,0,0,0,0,0|1,0,0]=3 196 B9R1.8 NCCC1=CC=NC=C1 010690 [2,0,0,0,0,0|1,0,0]=3 197 B9R1.8 NCCC1=NC=CC=C1 013702 [2,0,0,0,0,0|1,0,0]=3 198 B9R1.8 NNCC1=CC=CC=C1 036859 [2,0,0,0,0,0|1,0,0]=3 199 B9R1.8 NOCC1=CC=CC=C1 036957 [2,0,0,0,0,0|1,0,0]=3 200 B9R1.8 O=CCC1=CC=CC=C1 098878 [2,0,0,0,0,0|1,0,1]=4 201 B9R1.8 OCCC1=CC=CC=C1 222397 [2,0,0,0,0,0|1,0,0]=3 202 B9R1.8 OCCC1=CC=CN=C1 017523 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.8 OCCC1=CC=NC=C1 228335 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.8 OCCC1=NC=CC=C1 223718 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.8 ONCC1=CC=CC=C1 091512 [2,0,0,0,0,0|1,0,0]=3 206 B9R1.8 ONCC1=CC=CC=C1 238633 [2,0,0,0,0,0|1,0,0]=3 207 B11R1.1 CCCCC1=CC=C(Br)C=C1 002481 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.1 CCCCC1=CC=C(I)C=C1 241341 [1,1,0,0,0,0|1,0,0]=3 209 B11R1.1 CCCCC1=CC=C(N)C=C1 037413 [1,1,0,0,0,0|1,0,0]=3 210 B11R1.1 CCCCC1=CC=C(O)C=C1 358059 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.1 CCCOC1=CC=C(Br)C=C1 080302 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.1 CCCOC1=CC=C(C)C=C1 097641 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.1 CCCOC1=CC=C(O)C=C1 225506 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.1 CCCSC1=CC=C(C)C=C1 094774 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.1 N#CCCC1=CC=C(Br)C=C1 018025 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 018436 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.1 N#CCCC1=CC=C(O)C=C1 018729 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.1 OCCCC1=CC=C(Br)C=C1 078163 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.16 CC(CC=O)C1=CC=CC=C1 520893 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.16 CCC[C@@H](O)C1=CC=CC=C1 355875 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.16 CCC[C@H](O)C1=CC=CC=C1 488025 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.16 CNCC(O)C1=CC=CC=C1 402378 [1,1,0,0,0,0|0,0,0]=2 223 B11R1.16 COCC(=O)C1=CC=CC=C1 321462 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.17 CCCCC1=CC=CC=C1N 330100 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.17 CCCOC1=CC=CC=C1F 218796 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.17 COCOC1=CC=CC=C1Br 308278 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.17 OCCCC1=CC=CC=C1Cl 334105 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.24 C=CCCC1=CC=CC(Br)=C1 200069 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.24 CCCCC1=CC(N)=CC=C1 037562 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.24 CCCCC1=CC=CC(Br)=C1 037560 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.24 CCCCC1=CC=CC(I)=C1 037561 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.24 CCCOC1=CC=CC(Br)=C1 095129 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.24 CCCOC1=CC=CC(C)=C1 095348 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.24 N#CCCC1=CC=CC(Br)=C1 018313 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.24 OCCCC1=CC=CC(Cl)=C1 215060 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.28 BrCCCCC1=CC=CC=C1 008935 [1,1,0,0,0,0|1,0,0]=3 237 B11R1.28 BrCCCOC1=CC=CC=C1 001213 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.28 BrCCOCC1=CC=CC=C1 214587 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.28 CCCCNC1=CC=CC=C1 236771 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.28 CCCCNC1=NC=CC=C1 102648 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.28 CCCCOC1=CC=CC=C1 001072 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.28 CCC\C=C\C1=CC=CC=C1 099042 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.28 CNCCOC1=CC=CC=C1 023561 [1,1,0,0,0,0|0,0,0]=2 244 B11R1.28 COCCSC1=NC=CC=C1 097658 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.28 ClCCCSC1=CC=CC=C1 106017 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.28 ClCCOCC1=CC=CC=C1 222450 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.28 N#CCCNC1=CC=CC=C1 099472 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.28 NCCNCC1=CC=CC=C1 209057 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.28 NCCSCC1=CC=CC=C1 360466 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.28 O=C=NCCC1=CC=CC=C1 067795 [1,1,0,0,0,0|0,0,2]=4 251 B11R1.28 O=CCOCC1=CC=CC=C1 209052 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.28 OCCCCC1=CC=CC=C1 003411 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.28 OCCCCC1=CC=NC=C1 032569 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.28 OCCNCC1=CC=CC=C1 235550 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.28 OCCOCC1=CC=CC=C1 238804 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.28 OCCSCC1=CC=CC=C1 003733 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.28 S=C=NCCC1=CC=CC=C1 009560 [1,1,0,0,0,0|0,0,2]=4 258 B11R1.91 CC(=N)SCC1=CC=CC=C1 471468 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.91 CC(=O)CCC1=CC=CC=C1 454566 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.91 CC(C)NCC1=CC=CC=C1 366623 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.91 CC(C)OCC1=CC=CC=C1 095354 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.91 CC(O)CCC1=CC=CC=C1 328963 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.91 CC(O)COC1=CC=CC=C1 099908 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.91 CN(C)CCC1=NC=CC=C1 098956 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.91 NC(=O)CCC1=CC=CC=C1 353451 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 448612 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.91 O=C(O)CCC1=CC=CC=C1 216287 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 022868 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 002599 [1,1,0,0,0,0|1,0,1]=4 270 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 002534 [1,1,0,0,0,0|1,0,1]=4 271 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 009228 [1,1,0,0,0,0|1,0,1]=4 272 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 079222 [1,1,0,0,0,0|1,0,1]=4 273 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 043417 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.20 CC(C)OC1=CC=C(N)C=C1 038449 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.20 CC(C)OC1=CC=C(N)C=C1 150800 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.20 CC(C)OC1=CC=C(S)C=C1 038455 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.20 CC(C)SC1=CC=C(Cl)C=C1 094984 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.20 CC1=CC=C(CC(N)=O)C=C1 103194 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.20 CC1=CC=C(SC(C)C)C=C1 094759 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 229794 [1,1,0,0,0,0|1,0,1]=4 281 B11R1.20 NC(=O)CC1=CC=C(F)C=C1 475850 [1,1,0,0,0,0|1,0,1]=4 282 B11R1.20 NC(=O)CC1=CC=C(I)C=C1 103474 [1,1,0,0,0,0|1,0,1]=4 283 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 021352 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 003400 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 236802 [1,1,0,0,0,0|0,0,1]=3 286 B11R1.36 CC(C)C(C)C1=CC=NC=C1 032640 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.36 CC(C)C(O)C1=CC=CC=C1 242324 [1,1,0,0,0,0|0,0,0]=2 288 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 341736 [1,1,0,0,0,0|1,0,1]=4 289 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 018765 [1,1,0,0,0,0|1,0,1]=4 290 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 068259 [1,1,0,0,0,0|1,0,1]=4 291 B11R1.86 CC(C)OC1=C(F)C=CC=C1 098216 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.86 CC(C)OC1=C(N)C=CC=C1 038802 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.86 CC(C)OC1=C(O)C=CC=C1 463350 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 357821 [1,1,0,0,0,0|1,0,1]=4 295 B11R1.86 CC1=C(OC(C)C)C=CC=C1 024930 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.86 CN(C)CC1=C(O)C=CC=C1 103436 [1,1,0,0,0,0|1,0,0]=3 297 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 357832 [1,1,0,0,0,0|1,0,1]=4 298 B11R1.86 NC(=O)CC1=C(F)C=CC=C1 357591 [1,1,0,0,0,0|1,0,1]=4 299 B11R1.86 NC(=O)CC1=CC=CC=C1Br 323620 [1,1,0,0,0,0|1,0,1]=4 300 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 306942 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.157 CC(C)OC1=CC(S)=CC=C1 023119 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 024863 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.157 CC(C)SC1=CC=CC(Br)=C1 094811 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.157 CC1=CC(OC(C)C)=CC=C1 095161 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.157 NC(=O)CC1=CC(Br)=CC=C1 325398 [1,1,0,0,0,0|1,0,1]=4 306 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 047554 [1,1,0,0,0,0|1,0,1]=4 307 B11R1.509 CC(C)(C)CC1=CC=CC=C1 242566 [1,1,0,0,0,0|0,0,0]=2 308 B11R1.509 CC(C)(C)OC1=CC=CC=N1 462501 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.509 CC(C)(O)CC1=CC=CC=C1 461052 [1,1,0,0,0,0|0,0,0]=2 310 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 003687 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 019289 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 094171 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 094988 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 097679 [1,1,0,0,0,0|1,0,0]=3 315 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 097803 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 235646 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.509 C[Si](C)(C)NC1=CC=CC=C1 S19030 [1,1,0,0,0,0|1,1,0]=4 318 B11R1.509 C[Si](C)(Cl)CC1=CC=CC=C1 S00950 [1,1,0,0,0,0|0,1,0]=3 319 B11R1.509 FC(F)(F)CC1=CC=CC=C1 094976 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 008691 [0,1,0,0,1,0|1,0,1]=4 321 B11R1.7 CCC(C)(C)C1=CC=CC=C1 226678 [0,1,0,0,1,0|1,0,0]=3 322 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 180359 [0,1,0,0,1,0|2,0,0]=4 323 B11R1.12 CCC(C#N)C1=CC=CC=C1 099619 [0,1,0,0,1,0|1,0,1]=4 324 B11R1.12 CCC(CC)C1=NC=CC=C1 032554 [0,1,0,0,1,0|2,0,0]=4 325 B11R1.12 CCC(CO)C1=NC=CC=C1 032577 [0,1,0,0,1,0|2,0,0]=4 326 B11R1.12 CCN(CC)C1=CC=CC=C1 043437 [0,1,0,0,1,0|2,0,0]=4 327 B11R1.12 CCN(CC)C1=CC=CC=C1 226653 [0,1,0,0,1,0|2,0,0]=4 328 B11R1.12 COC(OC)C1=CC=CC=C1 018193 [0,1,0,0,1,0|1,0,0]=3 329 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 215518 [0,1,0,0,1,0|2,0,0]=4 330 B11R1.22 CCC(C)C1=CC=C(O)C=C1 098816 [0,1,0,0,1,0|1,0,0]=3 331 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 091217 [0,1,0,0,1,0|1,0,1]=4 332 B11R1.22 CNC(=O)C1=CC=C(C)C=C1 342068 [0,1,0,0,1,0|1,0,1]=4 333 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 105214 [0,1,0,0,1,0|1,0,1]=4 334 B11R1.22 CNC(=O)C1=CC=C(F)C=C1 033236 [0,1,0,0,1,0|1,0,1]=4 335 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 102872 [0,1,0,0,1,0|1,0,1]=4 336 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 236709 [0,1,0,0,1,0|1,0,1]=4 337 B11R1.23 CNC(=O)C1=CC(C)=CC=C1 094995 [0,1,0,0,1,0|1,0,1]=4 338 B11R1.23 CNC(=O)C1=CC(F)=CC=C1 448487 [0,1,0,0,1,0|1,0,1]=4 339 B11R1.23 CNC(=O)C1=CC(I)=CC=C1 104053 [0,1,0,0,1,0|1,0,1]=4 340 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 036759 [0,1,0,0,1,0|1,0,1]=4 341 B11R1.222 CCC(C)C1=C(O)C=CC=C1 099269 [0,1,0,0,1,0|1,0,0]=3 342 B11R1.222 CCC(C)C1=CC=CC=C1N 320033 [0,1,0,0,1,0|1,0,0]=3 343 B11R1.222 CNC(=O)C1=C(Cl)C=CC=C1 102258 [0,1,0,0,1,0|1,0,1]=4 344 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 181799 [0,1,0,0,1,0|1,0,1]=4 345 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 374495 [0,1,0,0,1,0|1,0,1]=4 346 B11R1.222 CNC(=O)C1=CC=CC=C1Br 234361 [0,1,0,0,1,0|1,0,1]=4 347 B11R1.222 CNC(=O)C1=CC=CC=C1C 215382 [0,1,0,0,1,0|1,0,1]=4 348 B11R1.222 CNC(=O)C1=CC=CC=C1F 474578 [0,1,0,0,1,0|1,0,1]=4 349 B11R1.222 CNC(=O)C1=CC=CC=C1N 018186 [0,1,0,0,1,0|1,0,1]=4 350 B13R1.11 CCC(C)NC(=O)C1=CC=CC=C1 104586 [0,1,0,0,0,1|1,0,1]=4 351 B13R1.14 CNC(=O)CCC1=CC=C(Br)C=C1 103201 [0,1,0,0,0,1|1,0,1]=4 352 B13R1.14 CNC(=O)COC1=CC=C(Br)C=C1 080300 [0,1,0,0,0,1|1,0,1]=4 353 B13R1.14 CNC(=O)COC1=CC=C(Cl)C=C1 106324 [0,1,0,0,0,1|1,0,1]=4 354 B13R1.14 CNC(=O)COC1=CC=C(F)C=C1 106308 [0,1,0,0,0,1|1,0,1]=4 355 B13R1.15 CNC(=O)COC1=CC(Br)=CC=C1 106107 [0,1,0,0,0,1|1,0,1]=4 356 B13R1.15 CNC(=O)COC1=CC(C)=CC=C1 106125 [0,1,0,0,0,1|1,0,1]=4 357 B13R1.15 CNC(=O)COC1=CC(Cl)=CC=C1 106296 [0,1,0,0,0,1|1,0,1]=4 358 B13R1.42 CC(CC=O)CCC1=CC=CC=C1 104683 [0,1,0,0,0,1|1,0,1]=4 359 B13R1.42 CC(CCO)CCC1=CC=CC=C1 104708 [0,1,0,0,0,1|1,0,0]=3 360 B13R1.528 CNC(=O)COC1=C(Br)C=CC=C1 069875 [0,1,0,0,0,1|1,0,1]=4 361 B13R1.528 CNC(=O)COC1=C(Cl)C=CC=C1 106329 [0,1,0,0,0,1|1,0,1]=4 362 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O 078437 [0,2,0,0,0,0|0,0,1]=3 363 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O 209781 [0,2,0,0,0,0|2,0,0]=4 364 B13R1.1073 C[C@@](N)(CC1=CC=CC=C1)C(=O)O 225724 [0,2,0,0,0,0|2,0,0]=4 365 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O 235494 [0,2,0,0,0,0|2,0,0]=4 366 B13R1.5 CCC(C)OC1=CC=C(C=O)C=C1 094206 [0,2,0,0,0,0|2,0,0]=4 367 B13R1.5 CCC(C)OC1=CC=C(CO)C=C1 337684 [0,2,0,0,0,0|2,0,0]=4 368 B13R1.249 CNS(=O)(=O)CC1=CC=C(N)C=C1 210410 [0,2,0,0,0,0|2,0,0]=4 369 B13R1.2679 CNC(=O)CC1=C(F)C=C(F)C=C1 102448 [0,2,0,0,0,0|1,0,1]=4 370 B13R1.3080 COP(=O)(CC1=CC=CC=C1)OC 239297 [0,2,0,0,0,0|2,0,0]=4 371 B11R2.1 CC1CNC2=C1C=CC=C2 209516 [1,0,0,1,0,0|2,0,0]=4 372 B11R2.1 CN1C=CC2=C1C=CC=C2 208790 [1,0,0,1,0,0|0,0,2]=4 373 B11R2.1 CN1C=NC2=CC=CC=C21 222302 [1,0,0,1,0,0|1,0,1]=4 374 B11R2.1 CN1N=NC2=CC=CC=C21 018820 [1,0,0,1,0,0|2,0,0]=4 375 B11R2.1 NC1CCC2=C1C=CC=C2 219954 [1,0,0,1,0,0|2,0,0]=4 376 B11R2.1 O=C1CCC2=C1C=CC=C2 036208 [1,0,0,1,0,0|2,0,0]=4 377 B11R2.1 OC1CCC2=CC=CC=C21 008845 [1,0,0,1,0,0|2,0,0]=4 378 B11R2.1 O[C@@H]1CCC2=CC=CC=C21 454961 [1,0,0,1,0,0|2,0,0]=4 379 B11R2.1 O[C@H]1CCC2=CC=CC=C21 106570 [1,0,0,1,0,0|2,0,0]=4 380 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 390375 [1,0,0,1,0,0|2,0,0]=4 381 B11R2.20 C1=CC2=C(C=C1)CCCC2 075145 [1,0,0,1,0,0|1,0,0]=3 382 B11R2.20 C1=CC2=C(C=C1)CNCC2 040081 [1,0,0,1,0,0|0,0,0]=2 383 B11R2.20 C1=CC2=C(C=C1)NCCC2 040080 [1,0,0,1,0,0|2,0,0]=4 384 B11R2.20 C1=CC2=C(C=N1)CCCC2 304059 [1,0,0,1,0,0|2,0,0]=4 385 B11R2.20 C1=CC2=C(CCCC2)N=C1 044802 [1,0,0,1,0,0|2,0,0]=4 386 B11R2.20 C1=CC=C2COCCC2=C1 237176 [1,0,0,1,0,0|1,0,0]=3 387 B11R2.10 CC1=CC2=C(C=CC=C2)C1 222644 [1,0,0,1,0,0|0,0,2]=4 388 B11R2.10 CC1=CC2=CC=CC=C2N1 003402 [1,0,0,1,0,0|0,0,2]=4 389 B11R2.10 CC1=NC2=CC=CC=C2N1 002989 [1,0,0,1,0,0|1,0,1]=4 390 B11R2.10 CC1CC2=C(C=CC=C2)N1 221619 [1,0,0,1,0,0|0,0,0]=2 391 B11R2.10 NC1CC2=C(C=CC=C2)C1 046718 [1,0,0,1,0,0|0,0,0]=2 392 B11R2.10 NC1CC2=C(C=CC=C2)C1 048090 [1,0,0,1,0,0|0,0,0]=2 393 B11R2.10 O=C1CC2=C(C=CC=C2)C1 045209 [1,0,0,1,0,0|1,0,1]=4 394 B11R2.10 O=C1CC2=C(C=CC=C2)N1 093498 [1,0,0,1,0,0|1,0,1]=4 395 B11R2.10 OC1CC2=C(C=CC=C2)C1 216695 [1,0,0,1,0,0|1,0,0]=3 396 B13R2.57 OC[C@@H]1CC2=C(C=CC=C2)CN1 093186 [0,0,0,1,0,1|2,0,0]=4 397 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 092954 [0,0,0,1,0,1|2,0,0]=4 398 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 336858 [0,1,0,1,0,0|0,0,1]=3 399 B13R2.64 C1=CC=C(OC2CCCC2)C=C1 038461 [0,1,0,1,0,0|2,0,0]=4 400 B13R2.135 CO[C@H]1C2=CC=CC=C2C[C@H]1O 103211 [0,1,0,1,0,0|2,0,0]=4 401 B13R2.45 CCC1CC2=C(C=CC=C2)C1=O 222653 [0,1,0,1,0,0|1,0,1]=4 402 B13R2.8137 O=C(C1=CC=CC=C1)C2CCC2 003371 [0,1,0,1,0,0|1,0,1]=4 403 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 029150 [0,1,0,1,0,0|2,0,0]=4 404 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 519151 [0,1,0,1,0,0|2,0,0]=4 405 B13R2.435 OC(=O)C1CC2=CC=CC=C2C1 019437 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.6 BrC(Br)C1=CC=CC=C1 243023 [1,0,0,0,1,0|2,0,0]=4 407 B9R1.6 C=C(C)C1=CC=CC=C1 245708 [1,0,0,0,1,0|0,0,2]=4 408 B9R1.6 CC(=O)C1=CC=CC=C1 043319 [1,0,0,0,1,0|1,0,1]=4 409 B9R1.6 CC(Br)C1=CC=CC=C1 001003 [1,0,0,0,1,0|1,0,0]=3 410 B9R1.6 CC(C)C1=CC=CC=C1 094649 [1,0,0,0,1,0|0,0,0]=2 411 B9R1.6 CC(C)C1=CC=NC=C1 024693 [1,0,0,0,1,0|1,0,0]=3 412 B9R1.6 CC(C)C1=NC=CC=C1 078691 [1,0,0,0,1,0|1,0,0]=3 413 B9R1.6 CC(N)C1=CC=CC=C1 208695 [1,0,0,0,1,0|0,0,0]=2 414 B9R1.6 CC(N)C1=CC=NC=C1 030534 [1,0,0,0,1,0|1,0,0]=3 415 B9R1.6 CC(N)C1=CC=NC=C1 097930 [1,0,0,0,1,0|1,0,0]=3 416 B9R1.6 CC(N)C1=CN=CC=C1 030750 [1,0,0,0,1,0|1,0,0]=3 417 B9R1.6 CC(N)C1=NC=CC=C1 060819 [1,0,0,0,1,0|1,0,0]=3 418 B9R1.6 CC(O)C1=CC=CC=C1 098924 [1,0,0,0,1,0|1,0,0]=3 419 B9R1.6 CC(O)C1=CC=CN=C1 094012 [1,0,0,0,1,0|2,0,0]=4 420 B9R1.6 CC(O)C1=NC=CC=C1 088389 [1,0,0,0,1,0|2,0,0]=4 421 B9R1.6 CN(C)C1=CC=CC=C1 098810 [1,0,0,0,1,0|1,0,0]=3 422 B9R1.6 CN(C)C1=CC=CN=C1 032574 [1,0,0,0,1,0|2,0,0]=4 423 B9R1.6 CN(C)C1=CC=NC=C1 001704 [1,0,0,0,1,0|2,0,0]=4 424 B9R1.6 CN(C)C1=CC=NC=C1 133700 [1,0,0,0,1,0|2,0,0]=4 425 B9R1.6 CN(C)C1=NC=CC=C1 219108 [1,0,0,0,1,0|2,0,0]=4 426 B9R1.6 CS(=O)C1=CC=CC=C1 180124 [1,0,0,0,1,0|2,0,0]=4 427 B9R1.6 C[C@@H](N)C1=CC=CC=C1 037431 [1,0,0,0,1,0|0,0,0]=2 428 B9R1.6 C[C@@H](N)C1=NC=CC=C1 078110 [1,0,0,0,1,0|1,0,0]=3 429 B9R1.6 C[C@@H](O)C1=CC=CC=C1 222634 [1,0,0,0,1,0|1,0,0]=3 430 B9R1.6 C[C@H](N)C1=CC=CC=C1 037432 [1,0,0,0,1,0|0,0,0]=2 431 B9R1.6 C[SiH](C)C1=CC=CC=C1 S13425 [1,0,0,0,1,0|0,1,0]=3 432 B9R1.6 C[SiH](Cl)C1=CC=CC=C1 S13525 [1,0,0,0,1,0|1,1,0]=4 433 B9R1.6 FC(F)C1=CC=CC=C1 035819 [1,0,0,0,1,0|2,0,0]=4 434 B9R1.6 N=C(N)C1=CC=CC=C1 044622 [1,0,0,0,1,0|1,0,1]=4 435 B9R1.6 N=C(N)C1=CC=CC=C1 067951 [1,0,0,0,1,0|1,0,1]=4 436 B9R1.6 N=C(N)C1=CC=CC=C1 099104 [1,0,0,0,1,0|1,0,1]=4 437 B9R1.6 N=C(N)C1=CC=CC=C1 102340 [1,0,0,0,1,0|1,0,1]=4 438 B9R1.6 NC(=O)C1=CC=CC=C1 099462 [1,0,0,0,1,0|1,0,1]=4 439 B9R1.6 NC(=S)C1=CC=CC=C1 067940 [1,0,0,0,1,0|1,0,1]=4 440 B9R1.13 CC(C)CC1=NC=CS1 009620 [1,0,0,0,1,0|2,0,0]=4