0 B11R1.91 CC(=O)CCC1=CC=CC=C1 HR131653 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.91 CC(=O)NCC1=CC=CC=C1 HR101818 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.91 CC(=O)NNC1=CC=CC=C1 HR123814 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 CC(=O)OCC1=CC=CC=C1 HR124107 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.91 CC(=O)SSC1=CC=CC=C1 HR138175 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HR126722 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HR129858 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.91 CC(C)=CCC1=CC=CC=C1 HR143896 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.91 CC(O)CCC1=CC=CC=C1 HR142083 [0,0,0,0,0,0|1,0,3]=4 9 B11R1.91 CC(O)COC1=CC=CC=C1 HR135584 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.91 N=C(N)SCC1=CC=CC=C1 HR144885 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.91 N=C(N)\C=C\c1ccccc1 HR105980 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.91 NC(=O)CCC1=CC=CC=C1 HR143750 [0,0,0,0,0,0|1,0,2]=3 13 B11R1.91 NC(=O)CNC1=CC=CC=C1 HR118147 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.91 NC(=O)NCC1=CC=CC=C1 HR144984 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.91 NC(=O)NNC1=CC=CC=C1 HR140902 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.91 NC(=O)OCC1=CC=CC=C1 HR134339 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 HR136314 [0,0,0,0,0,0|1,0,0]=1 18 B11R1.91 NC(=S)NCC1=CC=CC=C1 HR100499 [0,0,0,0,0,0|2,1,1]=4 19 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 HR125999 [0,0,0,0,0,0|1,0,2]=3 20 B11R1.91 O=C(Cl)COC1=CC=CC=C1 HR132060 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 HR129732 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 HR136827 [0,0,0,0,0,0|1,0,0]=1 23 B11R1.91 O=C(O)C#CC1=CC=CC=C1 HR141100 [0,0,0,0,0,0|0,0,2]=2 24 B11R1.91 O=C(O)CCC1=CC=CC=C1 HR131731 [0,0,0,0,0,0|0,0,2]=2 25 B11R1.91 O=C(O)CCC1=CC=CN=C1 HR108389 [0,0,0,0,0,0|1,0,2]=3 26 B11R1.91 O=C(O)CCC1=NC=CC=C1 HR109593 [0,0,0,0,0,0|1,0,2]=3 27 B11R1.91 O=C(O)CNC1=CC=CC=C1 HR128051 [0,0,0,0,0,0|1,0,1]=2 28 B11R1.91 O=C(O)COC1=CC=CC=C1 HR130671 [0,0,0,0,0,0|1,0,1]=2 29 B11R1.91 O=C(O)COC1=CC=CN=C1 HR119090 [0,0,0,0,0,0|2,0,1]=3 30 B11R1.91 O=C(O)COC1=CC=NC=C1 HR33959 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.91 O=C(O)COC1=NC=CC=C1 HR144151 [0,0,0,0,0,0|2,0,1]=3 32 B11R1.91 O=C(O)CSC1=CC=CC=C1 HR135052 [0,0,0,0,0,0|1,0,1]=2 33 B11R1.91 O=C(O)CSC1=CC=NC=C1 HR129472 [0,0,0,0,0,0|2,0,1]=3 34 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HR101436 [0,0,0,0,0,0|0,0,0]=0 35 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HR136574 [0,0,0,0,0,0|0,0,0]=0 36 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 HR140259 [0,0,0,0,0,0|1,0,0]=1 37 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 HR145699 [0,0,0,0,0,0|1,0,0]=1 38 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 HR125940 [0,0,0,0,0,0|1,0,0]=1 39 B11R1.91 O=C(O)\C=C\c1ccncc1 HR135503 [0,0,0,0,0,0|1,0,0]=1 40 B11R1.91 O=C([O-])CNC1=CC=CC=C1 HR128317 [0,0,0,0,0,0|1,0,2]=3 41 B11R1.91 O=C([O-])COC1=CC=CC=C1 HR124172 [0,0,0,0,0,0|1,0,2]=3 42 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 HR137106 [0,0,0,0,0,0|0,0,1]=1 43 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 HR105516 [0,0,0,0,0,0|1,0,3]=4 44 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 HR34101 [0,0,0,0,0,0|1,0,1]=2 45 B11R1.91 OB(O)CCC1=CC=CC=C1 HR124048 [0,0,0,0,0,0|1,0,3]=4 46 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 HR32386 [0,0,0,0,0,0|1,0,1]=2 47 B10R1.17 BrC\C=C\C1=CC=CC=C1 HR137089 [1,0,0,0,0,0|1,0,1]=3 48 B10R1.17 C=CCNC1=CC=CC=C1 HR143241 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.17 C=CCOC1=CC=CC=C1 HR135359 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.17 ClC\C=C\C1=CC=CC=C1 HR137335 [1,0,0,0,0,0|1,0,1]=3 51 B10R1.17 N#C\C=C\C1=CC=CC=C1 HR129425 [1,0,0,0,0,0|1,0,1]=3 52 B10R1.17 O=C=NCC1=CC=CC=C1 HR134544 [1,0,0,0,0,0|1,0,2]=4 53 B10R1.17 O=CC#CC1=CC=CC=C1 HR137974 [1,0,0,0,0,0|0,0,2]=3 54 B10R1.17 O=CCCc1ccccc1 ECCQ01303 [1,0,0,0,0,0|0,0,2]=3 55 B10R1.17 O=COCC1=CC=CC=C1 HR141973 [1,0,0,0,0,0|1,0,1]=3 56 B10R1.17 O=C\C=C\C1=CC=CC=C1 HR100316 [1,0,0,0,0,0|0,0,0]=1 57 B10R1.17 O=C\C=C\C1=CC=CC=C1 HR133706 [1,0,0,0,0,0|0,0,0]=1 58 B10R1.17 OCC#CC1=CC=CC=C1 HR132112 [1,0,0,0,0,0|0,0,3]=4 59 B10R1.17 OCCCC1=CC=CC=C1 HR132460 [1,0,0,0,0,0|0,0,3]=4 60 B10R1.17 OCCNC1=CC=CC=C1 HR138206 [1,0,0,0,0,0|1,0,2]=4 61 B10R1.17 OCCOC1=CC=CC=C1 HR135852 [1,0,0,0,0,0|1,0,2]=4 62 B10R1.17 OCCSC1=CC=CC=C1 HR133868 [1,0,0,0,0,0|1,0,2]=4 63 B10R1.17 OCOCC1=CC=CC=C1 HR100600 [1,0,0,0,0,0|1,0,2]=4 64 B10R1.17 OC\C=C\C1=CC=CC=C1 HR126268 [1,0,0,0,0,0|0,0,1]=2 65 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HR21102 [0,1,0,0,0,0|1,0,2]=4 66 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 HR140059 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 HR139200 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 HR125616 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.21 CC(=O)\C=C\c1ccc(O)cc1 HR139756 [0,1,0,0,0,0|1,0,0]=2 70 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 HR124260 [0,1,0,0,0,0|0,0,2]=3 71 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 HR139847 [0,1,0,0,0,0|1,0,1]=3 72 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 HR126772 [0,1,0,0,0,0|0,0,0]=1 73 B12R1.21 NC(=O)\C=C\C1=CC=C(Cl)C=C1 HR144620 [0,1,0,0,0,0|1,0,0]=2 74 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 HR119313 [0,1,0,0,0,0|0,0,2]=3 75 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 HR103633 [0,1,0,0,0,0|1,0,2]=4 76 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 HR106931 [0,1,0,0,0,0|1,0,1]=3 77 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 HR153342 [0,1,0,0,0,0|1,0,2]=4 78 B12R1.21 O=C(Cl)\C=C\C1=CC=C(F)C=C1 HR135942 [0,1,0,0,0,0|1,0,0]=2 79 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 HR126961 [0,1,0,0,0,0|0,0,2]=3 80 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 HR136996 [0,1,0,0,0,0|0,0,2]=3 81 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 HR135444 [0,1,0,0,0,0|0,0,2]=3 82 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 HR120695 [0,1,0,0,0,0|0,0,2]=3 83 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 HR131268 [0,1,0,0,0,0|0,0,2]=3 84 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 HR130208 [0,1,0,0,0,0|1,0,1]=3 85 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 HR122789 [0,1,0,0,0,0|1,0,1]=3 86 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 HR122536 [0,1,0,0,0,0|1,0,1]=3 87 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 HR134814 [0,1,0,0,0,0|1,0,1]=3 88 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 HR129692 [0,1,0,0,0,0|1,0,1]=3 89 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 HR139391 [0,1,0,0,0,0|1,0,1]=3 90 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 HR125682 [0,1,0,0,0,0|0,0,0]=1 91 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 HR130720 [0,1,0,0,0,0|0,0,0]=1 92 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 HR124672 [0,1,0,0,0,0|0,0,0]=1 93 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 HR120516 [0,1,0,0,0,0|0,0,0]=1 94 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HR101928 [0,1,0,0,0,0|0,0,0]=1 95 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HR136333 [0,1,0,0,0,0|0,0,0]=1 96 B12R1.21 O=C([O-])COc1ccc(Cl)cc1 HR124422 [0,1,0,0,0,0|1,0,2]=4 97 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(Cl)C=C1 HR122515 [0,1,0,0,0,0|1,0,1]=3 98 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1 HR114521 [0,1,0,0,0,0|1,0,1]=3 99 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 HR137329 [0,1,0,0,0,0|1,0,1]=3 100 B12R1.21 OB(O)\C=C\C1=CC=C(Cl)C=C1 HR111614 [0,1,0,0,0,0|1,0,1]=3 101 B12R1.21 OB(O)\C=C\C1=CC=C(F)C=C1 HR34077 [0,1,0,0,0,0|1,0,1]=3 102 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 HR113280 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 HR128829 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HR128344 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.27 COC(=O)CCC1=CC=CC=C1 HR127854 [0,1,0,0,0,0|0,0,2]=3 106 B12R1.27 COC(=O)COC1=CC=CC=C1 HR128210 [0,1,0,0,0,0|1,0,1]=3 107 B12R1.27 COC(=O)CSC1=CC=CC=C1 HR139679 [0,1,0,0,0,0|1,0,1]=3 108 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 HR126510 [0,1,0,0,0,0|0,0,0]=1 109 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HR129987 [0,1,0,0,0,0|2,0,1]=4 110 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HR133000 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.27 NNC(=O)CCC1=CC=CC=C1 HR101428 [0,1,0,0,0,0|1,0,2]=4 112 B12R1.27 NNC(=O)OCc1ccccc1 HR133486 [0,1,0,0,0,0|2,0,1]=4 113 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 HR108993 [0,1,0,0,0,0|1,0,2]=4 114 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 HR7461 [0,1,0,0,0,0|2,0,1]=4 115 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 HR119838 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 HR133264 [0,1,0,0,0,0|2,0,1]=4 117 B12R1.27 O=C(NO)OCC1=CC=CC=C1 HR143273 [0,1,0,0,0,0|1,0,1]=3 118 B12R1.43 C=C(C)C(=O)OC1=CC=CC=C1 HR138708 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O HR125343 [0,1,0,0,0,0|0,0,1]=2 120 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O HR16952 [0,1,0,0,0,0|1,0,1]=3 121 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O HR104381 [0,1,0,0,0,0|1,0,1]=3 122 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O HR125623 [0,1,0,0,0,0|1,0,1]=3 123 B12R1.43 C\C(=C\C1=CC=CC=C1)C(=O)O HR137111 [0,1,0,0,0,0|0,0,0]=1 124 B12R1.43 C\C(=C\C1=CC=CC=C1)[N+](=O)[O-] HR138129 [0,1,0,0,0,0|1,0,1]=3 125 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 HR116956 [0,1,0,0,0,0|1,0,2]=4 126 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 HR141615 [0,1,0,0,0,0|1,0,2]=4 127 B12R1.43 NC(=O)C(N)Cc1ccccc1 HR113225 [0,1,0,0,0,0|1,0,2]=4 128 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HR123017 [0,1,0,0,0,0|0,0,2]=3 129 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HR123288 [0,1,0,0,0,0|0,0,2]=3 130 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HR123548 [0,1,0,0,0,0|0,0,2]=3 131 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O HR123240 [0,1,0,0,0,0|1,0,2]=4 132 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O HR123504 [0,1,0,0,0,0|1,0,2]=4 133 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O HR146941 [0,1,0,0,0,0|1,0,2]=4 134 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O HR136047 [0,1,0,0,0,0|1,0,2]=4 135 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O HR136313 [0,1,0,0,0,0|1,0,2]=4 136 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O HR131756 [0,1,0,0,0,0|1,0,2]=4 137 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O HR132018 [0,1,0,0,0,0|1,0,2]=4 138 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O HR141722 [0,1,0,0,0,0|1,0,2]=4 139 B12R1.43 O=C(O)C(Br)Cc1ccccc1 HR141710 [0,1,0,0,0,0|0,0,2]=3 140 B12R1.43 O=C(O)C(Cl)Cc1ccccc1 HR104071 [0,1,0,0,0,0|0,0,2]=3 141 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HR127552 [0,1,0,0,0,0|0,0,2]=3 142 B12R1.43 O=C(O)C(O)Cc1ccccc1 HR6413 [0,1,0,0,0,0|0,0,2]=3 143 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 HR132515 [0,1,0,0,0,0|0,0,2]=3 144 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 HR137442 [0,1,0,0,0,0|0,0,2]=3 145 B12R1.43 O=[N+]([O-])\C(Br)=C/C1=CC=CC=C1 HR144999 [0,1,0,0,0,0|1,0,1]=3 146 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HR134134 [0,1,0,0,0,0|1,0,1]=3 147 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 HR138447 [0,1,0,0,0,0|2,0,1]=4 148 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 HR100565 [0,1,0,0,0,0|0,0,2]=3 149 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 HR119163 [0,1,0,0,0,0|0,0,0]=1 150 B12R1.107 NC(=S)NC(=O)C1=CC=CC=C1 HR103366 [0,1,0,0,0,0|2,1,0]=4 151 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR115997 [0,1,0,0,0,0|0,0,2]=3 152 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR123753 [0,1,0,0,0,0|0,0,2]=3 153 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR137732 [0,1,0,0,0,0|0,0,2]=3 154 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR142848 [0,1,0,0,0,0|0,0,2]=3 155 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR143556 [0,1,0,0,0,0|0,0,2]=3 156 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR5925 [0,1,0,0,0,0|0,0,2]=3 157 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 HR120733 [0,1,0,0,0,0|1,0,2]=4 158 B12R1.107 NC(CC(=O)O)c1ccccc1 HR136713 [0,1,0,0,0,0|0,0,2]=3 159 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 HR137213 [0,1,0,0,0,0|1,0,2]=4 160 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 HR140161 [0,1,0,0,0,0|1,0,2]=4 161 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 HR114800 [0,1,0,0,0,0|0,0,1]=2 162 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 HR147359 [0,1,0,0,0,0|0,0,2]=3 163 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 HR120291 [0,1,0,0,0,0|2,0,1]=4 164 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 HR117889 [0,1,0,0,0,0|0,0,2]=3 165 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 HR135525 [0,1,0,0,0,0|0,0,0]=1 166 B12R1.125 O=C(Cl)CCC1=C(F)C=CC=C1 HR100901 [0,1,0,0,0,0|1,0,2]=4 167 B12R1.125 O=C(Cl)OCC1=C(Cl)C=CC=C1 HR121970 [0,1,0,0,0,0|2,0,1]=4 168 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 HR131976 [0,1,0,0,0,0|0,0,2]=3 169 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 HR138907 [0,1,0,0,0,0|0,0,2]=3 170 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 HR125640 [0,1,0,0,0,0|0,0,2]=3 171 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 HR101173 [0,1,0,0,0,0|0,0,2]=3 172 B12R1.125 O=C(O)CCN1C=CC=CC1=O HR118042 [0,1,0,0,0,0|1,0,2]=4 173 B12R1.125 O=C(O)CNc1ccccc1Cl HR101785 [0,1,0,0,0,0|1,0,1]=3 174 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 HR100216 [0,1,0,0,0,0|1,0,1]=3 175 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 HR128733 [0,1,0,0,0,0|1,0,1]=3 176 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 HR128542 [0,1,0,0,0,0|0,0,0]=1 177 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 HR141211 [0,1,0,0,0,0|0,0,0]=1 178 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 HR125070 [0,1,0,0,0,0|0,0,0]=1 179 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 HR124795 [0,1,0,0,0,0|0,0,0]=1 180 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 HR137360 [0,1,0,0,0,0|0,0,0]=1 181 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HR142651 [0,1,0,0,0,0|0,0,0]=1 182 B12R1.125 O=[N+]([O-])\C=C\C1=C(Br)C=CC=C1 HR143559 [0,1,0,0,0,0|1,0,1]=3 183 B12R1.125 O=[N+]([O-])\C=C\C1=C(Cl)C=CC=C1 HR101082 [0,1,0,0,0,0|1,0,1]=3 184 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 HR102413 [0,1,0,0,0,0|0,0,2]=3 185 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 HR143612 [0,1,0,0,0,0|0,0,0]=1 186 B12R1.226 O=C(Cl)CCC1=CC(F)=CC=C1 HR144815 [0,1,0,0,0,0|1,0,2]=4 187 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 HR125121 [0,1,0,0,0,0|0,0,2]=3 188 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 HR125382 [0,1,0,0,0,0|0,0,2]=3 189 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 HR128052 [0,1,0,0,0,0|0,0,2]=3 190 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 HR123625 [0,1,0,0,0,0|0,0,2]=3 191 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 HR136856 [0,1,0,0,0,0|1,0,1]=3 192 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 HR138104 [0,1,0,0,0,0|0,0,0]=1 193 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 HR104670 [0,1,0,0,0,0|0,0,0]=1 194 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 HR135628 [0,1,0,0,0,0|0,0,0]=1 195 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 HR131512 [0,1,0,0,0,0|0,0,0]=1 196 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 HR124019 [0,1,0,0,0,0|0,0,0]=1 197 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(F)=C1 HR33878 [0,1,0,0,0,0|1,0,1]=3 198 B12R1.891 F[B-](F)(F)\C=C\c1ccccc1 HR101336 [0,1,0,0,0,0|3,0,0]=4 199 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 HR126215 [0,0,0,1,0,0|2,0,0]=3 200 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 HR104359 [0,0,0,1,0,0|3,0,0]=4 201 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 HR124754 [0,0,0,1,0,0|3,0,0]=4 202 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 HR129602 [0,0,0,1,0,0|3,0,0]=4 203 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 HR32361 [0,0,0,1,0,0|3,0,0]=4 204 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 HR136252 [0,0,0,1,0,0|3,0,0]=4 205 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 HR123473 [0,0,0,1,0,0|3,0,0]=4 206 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 HR123210 [0,0,0,1,0,0|2,0,0]=3 207 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 HR146963 [0,0,0,1,0,0|3,0,0]=4 208 B12R2.24 BrC1=NC2=CC=CN=C2C=C1 HR142588 [0,0,0,1,0,0|3,0,0]=4 209 B12R2.24 Brc1ccc2ncccc2c1 HR154960 [0,0,0,1,0,0|3,0,0]=4 210 B12R2.24 CC1=CC2=CC=CC=C2C=N1 HR147041 [0,0,0,1,0,0|3,0,0]=4 211 B12R2.24 CC1=CC2=CC=CC=C2N=C1 HR136520 [0,0,0,1,0,0|3,0,0]=4 212 B12R2.24 CC1=CC=C2C=CC=NC2=C1 HR5811 [0,0,0,1,0,0|3,0,0]=4 213 B12R2.24 CC1=CC=C2C=NC=CC2=C1 HR155156 [0,0,0,1,0,0|3,0,0]=4 214 B12R2.24 CC1=CC=C2N=CC=CC2=C1 HR146528 [0,0,0,1,0,0|3,0,0]=4 215 B12R2.24 CC1=NC2=CC=CC=C2C=C1 HR5809 [0,0,0,1,0,0|2,0,0]=3 216 B12R2.24 CC1=NC2=CC=CC=C2N=C1 HR125046 [0,0,0,1,0,0|3,0,0]=4 217 B12R2.24 CC1=NC2=CC=CN=C2C=C1 HR120036 [0,0,0,1,0,0|3,0,0]=4 218 B12R2.24 CC1=NC2=CN=CC=C2C=C1 HR146507 [0,0,0,1,0,0|3,0,0]=4 219 B12R2.24 CC1=NC2=NC=CC=C2C=C1 HR121019 [0,0,0,1,0,0|3,0,0]=4 220 B12R2.24 C[n+]1ccc2ccccc2c1 HR155172 [0,0,0,1,0,0|3,0,0]=4 221 B12R2.24 Cc1ccc2ccccc2n1 HR100422 [0,0,0,1,0,0|2,0,0]=3 222 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 HR133266 [0,0,0,1,0,0|2,0,0]=3 223 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 HR105103 [0,0,0,1,0,0|3,0,0]=4 224 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 HR115158 [0,0,0,1,0,0|3,0,0]=4 225 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 HR117057 [0,0,0,1,0,0|3,0,0]=4 226 B12R2.24 ClC1=CC=C2C=CN=CC2=C1 HR107579 [0,0,0,1,0,0|3,0,0]=4 227 B12R2.24 ClC1=CC=C2C=NC=CC2=C1 HR107898 [0,0,0,1,0,0|3,0,0]=4 228 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 HR134403 [0,0,0,1,0,0|3,0,0]=4 229 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 HR130387 [0,0,0,1,0,0|2,0,0]=3 230 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 HR122477 [0,0,0,1,0,0|3,0,0]=4 231 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 HR127731 [0,0,0,1,0,0|3,0,0]=4 232 B12R2.24 ClC1=NC2=CC=NC=C2C=C1 HR121613 [0,0,0,1,0,0|3,0,0]=4 233 B12R2.24 ClC1=NC2=NC=CC=C2C=C1 HR110699 [0,0,0,1,0,0|3,0,0]=4 234 B12R2.24 FC1=CC2=CC=CC=C2C=C1 HR108448 [0,0,0,1,0,0|2,0,0]=3 235 B12R2.24 FC1=CC=C2C=CC=NC2=C1 HR111404 [0,0,0,1,0,0|3,0,0]=4 236 B12R2.24 FC1=CC=C2C=NC=CC2=C1 HR30341 [0,0,0,1,0,0|3,0,0]=4 237 B12R2.24 FC1=CC=C2N=CC=CC2=C1 HR100909 [0,0,0,1,0,0|3,0,0]=4 238 B12R2.24 IC1=CC2=CC=CC=C2C=C1 HR107544 [0,0,0,1,0,0|2,0,0]=3 239 B12R2.24 IC1=CC=C2C=CC=NC2=C1 HR154961 [0,0,0,1,0,0|3,0,0]=4 240 B12R2.24 IC1=CC=C2N=CC=CC2=C1 HR130475 [0,0,0,1,0,0|3,0,0]=4 241 B12R2.24 NC1=CC2=CC=CC=C2C=N1 HR104457 [0,0,0,1,0,0|3,0,0]=4 242 B12R2.24 NC1=CC2=CC=CC=C2N=C1 HR146639 [0,0,0,1,0,0|3,0,0]=4 243 B12R2.24 NC1=CC=C2C=CC=NC2=C1 HR132066 [0,0,0,1,0,0|3,0,0]=4 244 B12R2.24 NC1=CC=C2C=CN=CC2=C1 HR31655 [0,0,0,1,0,0|3,0,0]=4 245 B12R2.24 NC1=CC=C2C=NC=CC2=C1 HR33829 [0,0,0,1,0,0|3,0,0]=4 246 B12R2.24 NC1=CC=C2N=CC=CC2=C1 HR128462 [0,0,0,1,0,0|3,0,0]=4 247 B12R2.24 NC1=NC2=CC=CC=C2C=C1 HR125008 [0,0,0,1,0,0|2,0,0]=3 248 B12R2.24 NC1=NC2=CC=CC=C2C=N1 HR114438 [0,0,0,1,0,0|3,0,0]=4 249 B12R2.24 NC1=NC2=CC=CN=C2C=C1 HR117417 [0,0,0,1,0,0|3,0,0]=4 250 B12R2.24 NC1=NC2=NC=CC=C2C=C1 HR147141 [0,0,0,1,0,0|3,0,0]=4 251 B12R2.24 Nc1ccc2ccccc2c1 HR146664 [0,0,0,1,0,0|2,0,0]=3 252 B12R2.24 Nc1ccc2ncccc2c1 HR143552 [0,0,0,1,0,0|3,0,0]=4 253 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 HR141776 [0,0,0,1,0,0|0,0,0]=1 254 B12R2.24 O=C1C=CC2=CC=CC=C2O1 HR132377 [0,0,0,1,0,0|0,0,0]=1 255 B12R2.24 O=C1C=CC2=CC=CN=C2N1 HR103860 [0,0,0,1,0,0|2,0,0]=3 256 B12R2.24 O=C1C=CC2=CN=CC=C2N1 HR32202 [0,0,0,1,0,0|2,0,0]=3 257 B12R2.24 O=C1C=CC2=NC=CN=C2N1 HR148105 [0,0,0,1,0,0|3,0,0]=4 258 B12R2.24 O=C1C=NC2=CC=CC=C2N1 HR30112 [0,0,0,1,0,0|2,0,0]=3 259 B12R2.24 O=C1CC2=CC=CC=C2CN1 HR114130 [0,0,0,1,0,0|2,0,1]=4 260 B12R2.24 O=C1CC2=CC=CC=C2CO1 HR133602 [0,0,0,1,0,0|2,0,1]=4 261 B12R2.24 O=C1CCC2=CC=CC=C2C1 HR124845 [0,0,0,1,0,0|1,0,2]=4 262 B12R2.24 O=C1CCC2=CC=CC=C2N1 HR128805 [0,0,0,1,0,0|1,0,2]=4 263 B12R2.24 O=C1CCC2=CC=CC=C2O1 HR127620 [0,0,0,1,0,0|0,0,2]=3 264 B12R2.24 O=C1CNC2=CC=CC=C2N1 LUJB00401 [0,0,0,1,0,0|2,0,1]=4 265 B12R2.24 O=C1COC2=C(C=CC=C2)N1 HR18791 [0,0,0,1,0,0|2,0,1]=4 266 B12R2.24 O=C1COC2=CC=CC=C2C1 HR146278 [0,0,0,1,0,0|2,0,1]=4 267 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 HR144221 [0,0,0,1,0,0|2,0,1]=4 268 B12R2.24 O=C1N=C2C=CC=CC2=CN1 HR108293 [0,0,0,1,0,0|2,0,0]=3 269 B12R2.24 OC1=CC2=CC=CC=C2C=C1 HR135486 [0,0,0,1,0,0|1,0,0]=2 270 B12R2.24 OC1=CC2=CC=CC=C2C=N1 HR104414 [0,0,0,1,0,0|2,0,0]=3 271 B12R2.24 OC1=CC2=CC=CC=C2N=C1 HR142173 [0,0,0,1,0,0|2,0,0]=3 272 B12R2.24 OC1=CC=C2C=CC=NC2=C1 HR123695 [0,0,0,1,0,0|2,0,0]=3 273 B12R2.24 OC1=CC=C2C=CN=CC2=C1 HR30348 [0,0,0,1,0,0|2,0,0]=3 274 B12R2.24 OC1=CC=C2C=NC=CC2=C1 HR32360 [0,0,0,1,0,0|2,0,0]=3 275 B12R2.24 OC1=CC=C2N=CC=CC2=C1 HR130549 [0,0,0,1,0,0|2,0,0]=3 276 B12R2.24 OC1=NC2=CC=CC=C2C=C1 HR100813 [0,0,0,1,0,0|1,0,0]=2 277 B12R2.24 OC1=NC2=CC=CC=C2C=C1 HR127926 [0,0,0,1,0,0|1,0,0]=2 278 B12R2.24 OC1=NC2=CC=CN=C2C=C1 HR32228 [0,0,0,1,0,0|2,0,0]=3 279 B12R2.24 SC1=CC2=CC=CC=C2C=C1 HR137082 [0,0,0,1,0,0|1,1,0]=3 280 B12R2.24 [O-][N+]1=CC2=CC=CC=C2C=C1 HR120606 [0,0,0,1,0,0|2,0,1]=4 281 B12R2.2403 CC1(C)C=CC2=CC=CC=C21 HR121264 [0,0,0,1,0,0|2,0,1]=4 282 B12R2.2403 O=S1(=O)C=Cc2ccccc21 HR102904 [0,0,0,1,0,0|1,0,1]=3 283 B10R1.18 C=C(C)CC1=CC=CC=C1 HR102748 [0,0,0,0,1,0|2,0,1]=4 284 B10R1.18 CC(=O)CC1=CC=CN=C1 HR119668 [0,0,0,0,1,0|2,0,1]=4 285 B10R1.18 CC(=O)CC1=CC=NC=C1 HR139369 [0,0,0,0,1,0|2,0,1]=4 286 B10R1.18 CC(=O)CC1=NC=CC=C1 HR147177 [0,0,0,0,1,0|2,0,1]=4 287 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 HR142406 [0,0,0,0,1,0|2,0,1]=4 288 B10R1.18 CC(=O)OC1=CC=CC=C1 HR100385 [0,0,0,0,1,0|2,0,0]=3 289 B10R1.18 CC(=O)SC1=CC=CC=C1 HR139271 [0,0,0,0,1,0|2,0,0]=3 290 B10R1.18 CC(O)CC1=CC=CC=C1 HR126017 [0,0,0,0,1,0|1,0,2]=4 291 B10R1.18 CC(O)CC1=CC=CC=C1 HR141229 [0,0,0,0,1,0|1,0,2]=4 292 B10R1.18 N=C(N)Nc1ccccc1 HR128844 [0,0,0,0,1,0|3,0,0]=4 293 B10R1.18 N=C(N)Nc1ccccc1 HR130330 [0,0,0,0,1,0|3,0,0]=4 294 B10R1.18 NC(=O)CC1=CC=CC=C1 HR137931 [0,0,0,0,1,0|1,0,1]=3 295 B10R1.18 NC(=O)CC1=CC=CN=C1 HR112388 [0,0,0,0,1,0|2,0,1]=4 296 B10R1.18 NC(=O)NC1=CC=CC=C1 HR129983 [0,0,0,0,1,0|2,0,0]=3 297 B10R1.18 NC(=S)CC1=CC=CC=C1 HR111590 [0,0,0,0,1,0|1,1,1]=4 298 B10R1.18 NC(=S)NC1=CC=CC=C1 HR134138 [0,0,0,0,1,0|2,1,0]=4 299 B10R1.18 O=C(Cl)OC1=CC=CC=C1 TOSA04608 [0,0,0,0,1,0|2,0,0]=3 300 B10R1.18 O=C(O)CC1=CC=CC=C1 ORJL013 [0,0,0,0,1,0|0,0,1]=2 301 B10R1.18 O=C(O)CC1=CC=CC=C1 ORJL01304 [0,0,0,0,1,0|0,0,1]=2 302 B10R1.18 O=C(O)CC1=CC=CN=C1 HR128903 [0,0,0,0,1,0|1,0,1]=3 303 B10R1.18 O=C(O)CC1=CC=CN=C1 HR134171 [0,0,0,0,1,0|1,0,1]=3 304 B10R1.18 O=C(O)CC1=CC=NC=C1 HR131595 [0,0,0,0,1,0|1,0,1]=3 305 B10R1.18 O=C(O)CC1=CC=NC=C1 HR140829 [0,0,0,0,1,0|1,0,1]=3 306 B10R1.18 O=C(O)CC1=NC=CC=C1 HR122018 [0,0,0,0,1,0|1,0,1]=3 307 B10R1.18 O=C(O)CC1=NC=CC=C1 HR137420 [0,0,0,0,1,0|1,0,1]=3 308 B10R1.18 O=C(O)CC1=NC=CC=N1 HR105414 [0,0,0,0,1,0|2,0,1]=4 309 B10R1.18 O=C(O)CC1=NC=CN=C1 HR116337 [0,0,0,0,1,0|2,0,1]=4 310 B10R1.18 O=C(O)CC1=NC=NC=C1 HR108340 [0,0,0,0,1,0|2,0,1]=4 311 B10R1.18 O=C(O)Cc1cncnc1 HR131662 [0,0,0,0,1,0|2,0,1]=4 312 B10R1.18 O=C([O-])CC1=CC=CC=C1 HR124860 [0,0,0,0,1,0|0,0,2]=3 313 B10R1.18 O=C([O-])Cc1ccccc1 HR139076 [0,0,0,0,1,0|0,0,2]=3 314 B10R1.18 OB(O)CC1=CC=CC=C1 HR126398 [0,0,0,0,1,0|1,0,2]=4 315 B10R1.18 OC(=S)CC1=CC=NC=C1 HR142020 [0,0,0,0,1,0|1,1,1]=4 316 B10R1.18 S=C(Cl)Oc1ccccc1 HR130199 [0,0,0,0,1,0|2,1,0]=4 317 B10R1.66 O=C(O)CCC1=CC=CN1 HR147312 [0,0,0,0,1,0|1,0,2]=4 318 B10R1.66 O=C(O)CCC1=CC=CO1 HR138114 [0,0,0,0,1,0|1,0,2]=4 319 B10R1.66 O=C(O)CCC1=CC=CS1 HR133338 [0,0,0,0,1,0|1,0,2]=4 320 B10R1.66 O=C(O)CC[C-]1C=CC=C1 HR141171 [0,0,0,0,1,0|0,0,3]=4 321 B10R1.66 O=C(O)\C=C\C1=CC=CO1 HR124869 [0,0,0,0,1,0|1,0,0]=2 322 B10R1.66 O=C(O)\C=C\C1=CC=CS1 HR116920 [0,0,0,0,1,0|1,0,0]=2 323 B10R1.66 O=C(O)\C=C\C1=CC=CS1 HR142692 [0,0,0,0,1,0|1,0,0]=2 324 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 HR132280 [0,0,0,0,1,0|2,0,1]=4 325 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 HR133529 [0,0,0,0,1,0|2,0,1]=4 326 B12R1.252 CC(=O)CCCC1=CC=CC=C1 HR146298 [0,0,0,0,0,1|1,0,2]=4 327 B12R1.252 CC(=O)NCCC1=CC=CC=C1 HR109426 [0,0,0,0,0,1|1,0,2]=4 328 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HR125515 [0,0,0,0,0,1|1,0,2]=4 329 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 HR115794 [0,0,0,0,0,1|1,0,2]=4 330 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 HR140519 [0,0,0,0,0,1|1,0,2]=4 331 B12R1.252 O=C(O)CCCC1=CC=CC=C1 HR124591 [0,0,0,0,0,1|0,0,2]=3 332 B12R1.252 O=C(O)CCCC1=NC=CC=C1 HR118250 [0,0,0,0,0,1|1,0,2]=4 333 B12R1.252 O=C(O)CCSC1=CC=CC=C1 HR111900 [0,0,0,0,0,1|0,0,2]=3 334 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HR111018 [0,0,0,0,0,1|0,0,2]=3 335 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HR132729 [0,0,0,0,0,1|0,0,2]=3 336 B12R1.252 O=C(O)COCC1=CC=CC=C1 HR136190 [0,0,0,0,0,1|0,0,2]=3 337 B12R1.252 O=C(O)CSCC1=CC=CC=C1 HR141291 [0,0,0,0,0,1|0,0,2]=3 338 B9R1.8 Br\C=C\C1=CC=CC=C1 HR125278 [2,0,0,0,0,0|1,0,0]=3 339 B9R1.8 C=CCC1=CC=CC=C1 HR125190 [2,0,0,0,0,0|0,0,1]=3 340 B9R1.8 C=CSC1=CC=CC=C1 HR114439 [2,0,0,0,0,0|1,0,0]=3 341 B9R1.8 N\C=C\C1=CC=CC=C1 HR145262 [2,0,0,0,0,0|1,0,0]=3 342 B9R1.8 O=CCC1=CC=CC=C1 HR138581 [2,0,0,0,0,0|0,0,1]=3 343 B9R1.8 O=CNC1=CC=CC=C1 HR101147 [2,0,0,0,0,0|1,0,0]=3 344 B9R1.8 O=S=NC1=CC=CC=C1 HR140039 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.8 OCCC1=CC=CC=C1 HR126434 [2,0,0,0,0,0|0,0,2]=4 346 B9R1.8 ONCC1=CC=CC=C1 HR30114 [2,0,0,0,0,0|1,0,1]=4 347 B9R1.8 O\N=C\C1=CC=CN=C1 HR142277 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.8 O\N=C\C1=CC=NC=C1 HR136002 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.8 O\N=C\c1ccccc1 HR135559 [2,0,0,0,0,0|1,0,0]=3 350 B9R1.8 O\N=C\c1ccccn1 HR110053 [2,0,0,0,0,0|2,0,0]=4 351 B11R1.1 N#C\C=C\C1=CC=C(F)C=C1 HR106829 [1,1,0,0,0,0|1,0,1]=4 352 B11R1.1 O=CCCC1=CC=C(Br)C=C1 HR142007 [1,1,0,0,0,0|0,0,2]=4 353 B11R1.1 O=CCCC1=CC=C(F)C=C1 HR111075 [1,1,0,0,0,0|0,0,2]=4 354 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 HR142485 [1,1,0,0,0,0|0,0,0]=2 355 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 HR122110 [1,1,0,0,0,0|0,0,0]=2 356 B11R1.16 C=COC(=O)C1=CC=CC=C1 HR140227 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 HR118986 [1,1,0,0,0,0|1,0,0]=3 358 B11R1.16 N#C\C=C(\Cl)C1=CC=CC=C1 HR116002 [1,1,0,0,0,0|1,0,1]=4 359 B11R1.16 O=C(CCO)C1=CC=CC=C1 HR126368 [1,1,0,0,0,0|0,0,2]=4 360 B11R1.16 O=C(NCO)C1=CC=CC=C1 HR123357 [1,1,0,0,0,0|1,0,1]=4 361 B11R1.16 O=C(\C=N\O)C1=CC=CC=C1 HR125383 [1,1,0,0,0,0|1,0,0]=3 362 B11R1.16 O=C=NC(=O)C1=CC=CC=C1 HR143927 [1,1,0,0,0,0|1,0,1]=4 363 B11R1.17 CC1=C(\C=C\C=O)C=CC=C1 HR105695 [1,1,0,0,0,0|0,0,0]=2 364 B11R1.17 O=CCCC1=C(F)C=CC=C1 HR110759 [1,1,0,0,0,0|0,0,2]=4 365 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 HR125426 [1,1,0,0,0,0|0,0,0]=2 366 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 HR139951 [1,1,0,0,0,0|0,0,0]=2 367 B11R1.17 O=C\C=C\C1=C(F)C=CC=C1 HR140837 [1,1,0,0,0,0|0,0,0]=2 368 B11R1.24 O=CNCC1=CC(F)=CC=C1 HR120232 [1,1,0,0,0,0|1,0,1]=4 369 B11R1.24 O=C\C=C\C1=CC(Br)=CC=C1 HR142581 [1,1,0,0,0,0|0,0,0]=2 370 B11R1.24 O=C\C=C\C1=CC(Br)=CC=C1 HR147644 [1,1,0,0,0,0|0,0,0]=2 371 B11R1.24 O=C\C=C\C1=CC(Cl)=CC=C1 HR141612 [1,1,0,0,0,0|0,0,0]=2 372 B11R1.24 O=C\C=C\C1=CC(F)=CC=C1 HR140742 [1,1,0,0,0,0|0,0,0]=2 373 B11R1.28 O=CCOCC1=CC=CC=C1 HR124340 [1,1,0,0,0,0|0,0,2]=4 374 B11R1.28 O=COCCC1=CC=CC=C1 HR127546 [1,1,0,0,0,0|0,0,2]=4 375 B11R1.40 C=CC(=O)OC1=CC=CC=C1 HR117635 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.40 C\C(C=O)=C\C1=CC=CC=C1 HR137989 [1,1,0,0,0,0|0,0,0]=2 377 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 HR133867 [0,1,0,0,1,0|1,0,1]=4 378 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 HR106338 [0,1,0,0,1,0|1,0,1]=4 379 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 HR133046 [0,1,0,0,1,0|1,0,1]=4 380 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 HR132467 [0,1,0,0,1,0|1,0,1]=4 381 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 HR139779 [0,1,0,0,1,0|1,0,1]=4 382 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 HR125087 [0,1,0,0,1,0|2,0,0]=4 383 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 HR134649 [0,1,0,0,1,0|2,0,0]=4 384 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 HR125476 [0,1,0,0,1,0|2,0,0]=4 385 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 HR124390 [0,1,0,0,1,0|2,0,0]=4 386 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 HR100483 [0,1,0,0,1,0|2,0,0]=4 387 B11R1.20 CC(=O)Nc1ccc(C)cc1 HR135415 [0,1,0,0,1,0|2,0,0]=4 388 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 HR3061 [0,1,0,0,1,0|2,0,0]=4 389 B11R1.20 CC(=O)Oc1ccc(C)cc1 HR140219 [0,1,0,0,1,0|2,0,0]=4 390 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 HR138670 [0,1,0,0,1,0|0,0,1]=3 391 B11R1.20 CC1=CC=C(CC(O)=S)C=C1 HR135318 [0,1,0,0,1,0|0,1,1]=4 392 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 HR141097 [0,1,0,0,1,0|2,0,0]=4 393 B11R1.20 FC(F)=CC1=CC=C(Br)C=C1 HR31653 [0,1,0,0,1,0|2,0,0]=4 394 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 HR17532 [0,1,0,0,1,0|1,0,1]=4 395 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 HR140124 [0,1,0,0,1,0|2,0,0]=4 396 B11R1.20 NC(=O)NC1=CC=C(F)C=C1 HR142730 [0,1,0,0,1,0|2,0,0]=4 397 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 HR137308 [0,1,0,0,1,0|0,0,1]=3 398 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 HR136254 [0,1,0,0,1,0|1,0,1]=4 399 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 HR137009 [0,1,0,0,1,0|1,0,1]=4 400 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 HR137778 [0,1,0,0,1,0|1,0,1]=4 401 B11R1.20 O=C(Cl)OC1=CC=C(Br)C=C1 HR129908 [0,1,0,0,1,0|2,0,0]=4 402 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 HR4246 [0,1,0,0,1,0|0,0,1]=3 403 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 HR123599 [0,1,0,0,1,0|0,0,1]=3 404 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 HR138910 [0,1,0,0,1,0|0,0,1]=3 405 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 HR125193 [0,1,0,0,1,0|0,0,1]=3 406 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 HR129181 [0,1,0,0,1,0|0,0,1]=3 407 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 HR34124 [0,1,0,0,1,0|0,0,1]=3 408 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 HR145026 [0,1,0,0,1,0|1,0,1]=4 409 B11R1.36 BrC(Br)=C(Br)C1=CC=CC=C1 HR122543 [0,1,0,0,1,0|2,0,0]=4 410 B11R1.36 C=C(B(O)O)C1=CC=CC=C1 HR118220 [0,1,0,0,1,0|1,0,1]=4 411 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 HR127990 [0,1,0,0,1,0|0,0,0]=2 412 B11R1.36 C=C(C(C)=O)C1=CC=CC=C1 HR118801 [0,1,0,0,1,0|1,0,0]=3 413 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 HR134536 [0,1,0,0,1,0|1,0,0]=3 414 B11R1.36 CC(=O)C(N)c1ccccc1 HR107181 [0,1,0,0,1,0|1,0,1]=4 415 B11R1.36 CC(=O)C(O)c1ccccc1 HR100300 [0,1,0,0,1,0|1,0,1]=4 416 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 HR101523 [0,1,0,0,1,0|2,0,0]=4 417 B11R1.36 CC(C(=O)Cl)C1=CC=CC=C1 HR119666 [0,1,0,0,1,0|1,0,1]=4 418 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 HR131467 [0,1,0,0,1,0|0,0,1]=3 419 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 HR136928 [0,1,0,0,1,0|0,0,1]=3 420 B11R1.36 CC(C(=O)O)c1ccccc1 HR6079 [0,1,0,0,1,0|0,0,1]=3 421 B11R1.36 CC(O)C(=O)C1=CC=CC=C1 HR141694 [0,1,0,0,1,0|1,0,1]=4 422 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 HR141921 [0,1,0,0,1,0|1,0,1]=4 423 B11R1.36 NC(=O)C(N)c1ccccc1 HR125809 [0,1,0,0,1,0|1,0,1]=4 424 B11R1.36 NC(C(=O)Cl)c1ccccc1 HR133466 [0,1,0,0,1,0|1,0,1]=4 425 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 HR122845 [0,1,0,0,1,0|0,0,1]=3 426 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 HR126179 [0,1,0,0,1,0|0,0,1]=3 427 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 HR127777 [0,1,0,0,1,0|0,0,1]=3 428 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 HR147603 [0,1,0,0,1,0|0,0,1]=3 429 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 HR100134 [0,1,0,0,1,0|1,0,1]=4 430 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 HR131693 [0,1,0,0,1,0|0,0,0]=2 431 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 HR127939 [0,1,0,0,1,0|0,0,1]=3 432 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 HR129834 [0,1,0,0,1,0|0,0,1]=3 433 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 HR131808 [0,1,0,0,1,0|0,0,1]=3 434 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 HR132071 [0,1,0,0,1,0|0,0,1]=3 435 B11R1.36 O=C([O-])C(O)C1=CC=CC=C1 HR132322 [0,1,0,0,1,0|0,0,2]=4 436 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 HR131256 [0,1,0,0,1,0|1,0,1]=4 437 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 HR106964 [0,1,0,0,1,0|1,0,1]=4 438 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 HR138303 [0,1,0,0,1,0|1,0,1]=4 439 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 HR127721 [0,1,0,0,1,0|1,0,1]=4 440 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 HR155329 [0,1,0,0,1,0|2,0,0]=4 441 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 HR141389 [0,1,0,0,1,0|2,0,0]=4 442 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 HR128938 [0,1,0,0,1,0|2,0,0]=4 443 B11R1.86 CC(=O)Oc1ccccc1C HR144591 [0,1,0,0,1,0|2,0,0]=4 444 B11R1.86 CC1=C(CC(=O)Cl)C=CC=C1 HR118666 [0,1,0,0,1,0|1,0,1]=4 445 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 HR133457 [0,1,0,0,1,0|0,0,1]=3 446 B11R1.86 Cc1ccccc1NC(N)=O HR143242 [0,1,0,0,1,0|2,0,0]=4 447 B11R1.86 NC(=O)CC1=C(Br)C=CC=C1 HR107481 [0,1,0,0,1,0|1,0,1]=4 448 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 HR117658 [0,1,0,0,1,0|0,0,1]=3 449 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 HR143085 [0,1,0,0,1,0|1,0,1]=4 450 B11R1.86 O=C(Cl)OC1=C(Cl)C=CC=C1 HR129645 [0,1,0,0,1,0|2,0,0]=4 451 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 HR133443 [0,1,0,0,1,0|0,0,1]=3 452 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 HR123068 [0,1,0,0,1,0|0,0,1]=3 453 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 HR138643 [0,1,0,0,1,0|0,0,1]=3 454 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 HR125205 [0,1,0,0,1,0|0,0,1]=3 455 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 HR128916 [0,1,0,0,1,0|0,0,1]=3 456 B11R1.86 O=C(O)CC1=CC=CN=C1Cl HR105982 [0,1,0,0,1,0|1,0,1]=4 457 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 HR129290 [0,1,0,0,1,0|1,0,1]=4 458 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 HR106647 [0,1,0,0,1,0|1,0,1]=4 459 B11R1.157 CC(=O)CC1=CC(Cl)=CC=C1 HR105397 [0,1,0,0,1,0|1,0,1]=4 460 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 HR132185 [0,1,0,0,1,0|1,0,1]=4 461 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 HR155280 [0,1,0,0,1,0|2,0,0]=4 462 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 HR100231 [0,1,0,0,1,0|2,0,0]=4 463 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 HR123835 [0,1,0,0,1,0|2,0,0]=4 464 B11R1.157 CC(=O)Nc1cccc(C)c1 HR133428 [0,1,0,0,1,0|2,0,0]=4 465 B11R1.157 CC(=O)Nc1cccc(Cl)c1 HR100608 [0,1,0,0,1,0|2,0,0]=4 466 B11R1.157 CC(=O)Nc1cccc(N)c1 HR124103 [0,1,0,0,1,0|2,0,0]=4 467 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 HR120393 [0,1,0,0,1,0|0,0,1]=3 468 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 HR147006 [0,1,0,0,1,0|1,0,1]=4 469 B11R1.157 FC(F)=CC1=CC=CC(Br)=C1 HR31654 [0,1,0,0,1,0|2,0,0]=4 470 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 HR129734 [0,1,0,0,1,0|2,0,0]=4 471 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 HR134233 [0,1,0,0,1,0|2,0,0]=4 472 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 HR126164 [0,1,0,0,1,0|0,0,1]=3 473 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 HR124310 [0,1,0,0,1,0|0,0,1]=3 474 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 HR110486 [0,1,0,0,1,0|1,0,1]=4 475 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 HR123334 [0,1,0,0,1,0|0,0,1]=3 476 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 HR128136 [0,1,0,0,1,0|0,0,1]=3 477 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 HR107008 [0,1,0,0,1,0|0,0,1]=3 478 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 HR134769 [0,1,0,0,1,0|0,0,1]=3 479 B11R1.157 O=C(O)CC1=NC(F)=CC=C1 HR153115 [0,1,0,0,1,0|1,0,1]=4 480 B11R1.90 CC1=C(\C=C\C(=O)O)SC=C1 HR103107 [0,1,0,0,1,0|1,0,0]=3 481 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 HR112163 [0,1,0,0,0,1|1,0,1]=4 482 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 HR123231 [0,1,0,0,0,1|1,0,1]=4 483 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 HR143271 [0,1,0,0,0,1|1,0,1]=4 484 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 HR123840 [0,1,0,0,0,1|0,0,1]=3 485 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 HR128914 [0,1,0,0,0,1|0,0,1]=3 486 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 HR142552 [0,1,0,0,0,1|1,0,1]=4 487 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 HR139944 [0,1,0,0,0,1|0,0,1]=3 488 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 HR134118 [0,1,0,0,0,1|0,0,0]=2 489 B13R1.45 O=C([O-])CNC(=O)C1=CC=CC=C1 HR101664 [0,1,0,0,0,1|0,0,2]=4 490 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 HR112648 [0,1,0,0,0,1|1,0,1]=4 491 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 HR133328 [0,1,0,0,0,1|1,0,1]=4 492 B13R1.348 CC(CC(=O)O)NC1=CC=CC=C1 HR115895 [0,1,0,0,0,1|0,0,2]=4 493 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 HR134956 [0,1,0,0,0,1|0,0,2]=4 494 B13R1.348 NC(CC(=O)O)Cc1ccccc1 HR135745 [0,1,0,0,0,1|0,0,2]=4 495 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O ECCQ01305 [0,1,0,0,0,1|0,0,2]=4 496 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O HR137202 [0,1,0,0,0,1|0,0,2]=4 497 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O HR138374 [0,1,0,0,0,1|0,0,2]=4 498 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O HR140113 [0,1,0,0,0,1|0,0,2]=4 499 B13R1.351 NC(CSC1=CC=CC=C1)C(=O)O HR143179 [0,1,0,0,0,1|0,0,2]=4 500 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 HR137491 [0,1,0,0,0,1|0,0,1]=3 501 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 HR121864 [0,1,0,0,0,1|0,0,2]=4 502 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 HR129544 [0,1,0,0,0,1|0,0,2]=4 503 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 HR143803 [0,1,0,0,0,1|0,0,2]=4 504 B13R1.513 CC1=CC=C(OCCC(=O)O)C=C1 HR126508 [0,1,0,0,0,1|0,0,2]=4 505 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 HR123518 [0,1,0,0,0,1|0,0,2]=4 506 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 HR115474 [0,1,0,0,0,1|0,0,2]=4 507 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 HR137313 [0,1,0,0,0,1|0,0,2]=4 508 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 HR136297 [0,1,0,0,0,1|0,0,2]=4 509 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 HR136559 [0,1,0,0,0,1|0,0,2]=4 510 B13R1.718 COC(=O)CCNC1=CC=CC=C1 HR102576 [0,1,0,0,0,1|0,0,2]=4 511 B13R1.718 COC(=O)CNCC1=CC=CC=C1 HR147646 [0,1,0,0,0,1|0,0,2]=4 512 B13R1.3 CCC1=CC=C(CCC(=O)O)C=C1 HR109269 [0,2,0,0,0,0|0,0,2]=4 513 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 HR130304 [0,2,0,0,0,0|1,0,1]=4 514 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 HR122581 [0,2,0,0,0,0|0,0,0]=2 515 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 HR125984 [0,2,0,0,0,0|0,0,0]=2 516 B13R1.3 COC1=CC=C(\C=C\[N+](=O)[O-])C=C1 HR144295 [0,2,0,0,0,0|1,0,1]=4 517 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 HR119472 [0,2,0,0,0,0|0,0,2]=4 518 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 HR114226 [0,2,0,0,0,0|1,0,1]=4 519 B13R1.3 N#CC1=CC=C(\C=C\C(=O)O)C=C1 HR109087 [0,2,0,0,0,0|0,0,0]=2 520 B13R1.3 N#CC1=CC=C(\C=C\C(=O)O)C=C1 HR144032 [0,2,0,0,0,0|0,0,0]=2 521 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 HR126594 [0,2,0,0,0,0|1,0,1]=4 522 B13R1.3 O=CC1=CC=C(CCC(=O)O)C=C1 HR31878 [0,2,0,0,0,0|0,0,2]=4 523 B13R1.3 O=CC1=CC=C(\C=C\C(=O)O)C=C1 HR138375 [0,2,0,0,0,0|0,0,0]=2 524 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 HR121127 [0,2,0,0,0,0|0,0,2]=4 525 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 HR134219 [0,2,0,0,0,0|0,0,2]=4 526 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 HR8193 [0,2,0,0,0,0|0,0,0]=2 527 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 HR133682 [0,2,0,0,0,0|0,0,0]=2 528 B13R1.132 CC1=CC=C(C(N)CC(=O)O)C=C1 HR141569 [0,2,0,0,0,0|0,0,2]=4 529 B13R1.132 NC(CC(=O)O)C1=CC=C(Br)C=C1 HR104343 [0,2,0,0,0,0|0,0,2]=4 530 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 HR115419 [0,2,0,0,0,0|0,0,2]=4 531 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 HR140629 [0,2,0,0,0,0|0,0,2]=4 532 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 HR142205 [0,2,0,0,0,0|0,0,2]=4 533 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 HR104128 [0,2,0,0,0,0|0,0,2]=4 534 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 HR106494 [0,2,0,0,0,0|0,0,2]=4 535 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 HR141616 [0,2,0,0,0,0|0,0,2]=4 536 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 HR119110 [0,2,0,0,0,0|0,0,2]=4 537 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 HR119422 [0,2,0,0,0,0|0,0,2]=4 538 B13R1.132 O=C(O)CC(=O)C1=CC=C(Br)C=C1 HR114506 [0,2,0,0,0,0|0,0,1]=3 539 B13R1.132 O=C(O)CC(=O)C1=CC=C(Cl)C=C1 HR116395 [0,2,0,0,0,0|0,0,1]=3 540 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O HR125364 [0,2,0,0,0,0|1,0,1]=4 541 B13R1.133 CC(OC1=CC=C(O)C=C1)C(=O)O HR128093 [0,2,0,0,0,0|1,0,1]=4 542 B13R1.133 CC(Oc1ccc(O)cc1)C(=O)O HR122638 [0,2,0,0,0,0|1,0,1]=4 543 B13R1.133 CC1=CC=C(CC(N)C(=O)O)C=C1 HR118920 [0,2,0,0,0,0|0,0,2]=4 544 B13R1.133 CC1=CC=C(CC(N)C(=O)O)C=C1 HR123568 [0,2,0,0,0,0|0,0,2]=4 545 B13R1.133 CC1=CC=C(NC(C)C(=O)O)C=C1 HR123832 [0,2,0,0,0,0|1,0,1]=4 546 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O HR118291 [0,2,0,0,0,0|0,0,2]=4 547 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O HR128095 [0,2,0,0,0,0|0,0,2]=4 548 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O HR128365 [0,2,0,0,0,0|0,0,2]=4 549 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O HR130844 [0,2,0,0,0,0|0,0,2]=4 550 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O HR140535 [0,2,0,0,0,0|0,0,2]=4 551 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O HR132042 [0,2,0,0,0,0|0,0,2]=4 552 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O HR135124 [0,2,0,0,0,0|0,0,2]=4 553 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O MEJL03501 [0,2,0,0,0,0|0,0,2]=4 554 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O MEXF01701 [0,2,0,0,0,0|0,0,2]=4 555 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O HR128738 [0,2,0,0,0,0|0,0,2]=4 556 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O HR133784 [0,2,0,0,0,0|0,0,2]=4 557 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O HR134857 [0,2,0,0,0,0|0,0,2]=4 558 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O HR141327 [0,2,0,0,0,0|0,0,2]=4 559 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O HR125407 [0,2,0,0,0,0|0,0,2]=4 560 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O HR130121 [0,2,0,0,0,0|0,0,2]=4 561 B13R1.133 NC(Cc1ccc(Br)cc1)C(=O)O HR102670 [0,2,0,0,0,0|0,0,2]=4 562 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O HR131097 [0,2,0,0,0,0|0,0,2]=4 563 B13R1.133 NC(Cc1ccc(O)cc1)C(=O)O HR130989 [0,2,0,0,0,0|0,0,2]=4 564 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 HR122238 [0,2,0,0,0,0|0,0,2]=4 565 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 HR127396 [0,2,0,0,0,0|0,0,2]=4 566 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 HR123685 [0,2,0,0,0,0|0,0,1]=3 567 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 HR105855 [0,2,0,0,0,0|0,0,2]=4 568 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 HR129363 [0,2,0,0,0,0|0,0,2]=4 569 B13R1.164 CC1=C(OCC(=O)O)C=CC(Cl)=C1 HR127666 [0,2,0,0,0,0|1,0,1]=4 570 B13R1.164 CC1=C(OCC(=O)O)C=CC(F)=C1 HR107852 [0,2,0,0,0,0|1,0,1]=4 571 B13R1.164 CC1=CC(C)=C(NCC(=O)O)C=C1 HR109603 [0,2,0,0,0,0|1,0,1]=4 572 B13R1.164 CC1=CC(C)=C(\C=C\C(=O)O)C=C1 HR140793 [0,2,0,0,0,0|0,0,0]=2 573 B13R1.164 O=C(O)CCC1=C(Br)C=C(F)C=C1 HR121009 [0,2,0,0,0,0|0,0,2]=4 574 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Cl)C=C1 HR116367 [0,2,0,0,0,0|0,0,2]=4 575 B13R1.164 O=C(O)CCC1=C(Cl)C=C(F)C=C1 HR121951 [0,2,0,0,0,0|0,0,2]=4 576 B13R1.164 O=C(O)COc1ccc(Cl)cc1Cl HR122807 [0,2,0,0,0,0|1,0,1]=4 577 B13R1.164 O=C(O)COc1ccc(Cl)cc1Cl HR130039 [0,2,0,0,0,0|1,0,1]=4 578 B13R1.164 O=C(O)COc1ccc(Cl)cc1Cl HR130299 [0,2,0,0,0,0|1,0,1]=4 579 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Cl)C=C1 HR118340 [0,2,0,0,0,0|0,0,0]=2 580 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Cl)C=C1 HR142852 [0,2,0,0,0,0|0,0,0]=2 581 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(F)C=C1 HR141753 [0,2,0,0,0,0|0,0,0]=2 582 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(Br)C=C1 HR143270 [0,2,0,0,0,0|0,0,0]=2 583 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(Cl)C=C1 HR142486 [0,2,0,0,0,0|0,0,0]=2 584 B13R1.164 O=C(O)\C=C\C1=C(O)C=C(O)C=C1 HR132104 [0,2,0,0,0,0|0,0,0]=2 585 B13R1.511 NC1=C(Br)C=CC(CCC(=O)O)=C1 HR117785 [0,2,0,0,0,0|0,0,2]=4 586 B13R1.511 O=C(O)CCC1=CC(F)=C(Cl)C=C1 HR148370 [0,2,0,0,0,0|0,0,2]=4 587 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 HR144020 [0,2,0,0,0,0|0,0,2]=4 588 B13R1.511 O=C(O)\C=C\C1=CC(Br)=C(F)C=C1 HR112556 [0,2,0,0,0,0|0,0,0]=2 589 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(Cl)C=C1 HR125332 [0,2,0,0,0,0|0,0,0]=2 590 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(F)C=C1 HR4071 [0,2,0,0,0,0|0,0,0]=2 591 B13R1.511 O=C(O)\C=C\C1=CC(F)=C(Cl)C=C1 HR139968 [0,2,0,0,0,0|0,0,0]=2 592 B13R1.511 O=C(O)\C=C\C1=CC(F)=C(F)C=C1 HR129819 [0,2,0,0,0,0|0,0,0]=2 593 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 HR100842 [0,2,0,0,0,0|0,0,0]=2 594 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 HR136582 [0,2,0,0,0,0|0,0,0]=2 595 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 HR105189 [0,2,0,0,0,0|0,0,2]=4 596 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 HR121290 [0,2,0,0,0,0|0,0,2]=4 597 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 HR150832 [0,2,0,0,0,0|0,0,2]=4 598 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 HR150834 [0,2,0,0,0,0|0,0,2]=4 599 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 HR150835 [0,2,0,0,0,0|0,0,2]=4 600 B13R1.11 COC(=O)CC(N)c1ccccc1 HR109966 [0,2,0,0,0,0|0,0,2]=4 601 B13R1.11 COC(=O)CC(N)c1ccccc1 HR113692 [0,2,0,0,0,0|0,0,2]=4 602 B13R1.42 C=COC(=O)\C=C\C1=CC=CC=C1 HR137610 [0,2,0,0,0,0|0,0,0]=2 603 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 HR140622 [0,2,0,0,0,0|0,0,2]=4 604 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 HR138449 [0,2,0,0,0,0|0,0,2]=4 605 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 HR128269 [0,2,0,0,0,0|1,0,1]=4 606 B13R1.42 CCOC(=O)COC1=CC=CC=C1 HR126479 [0,2,0,0,0,0|1,0,1]=4 607 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 HR143900 [0,2,0,0,0,0|1,0,1]=4 608 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 HR122282 [0,2,0,0,0,0|0,0,0]=2 609 B13R1.42 CCOC(=O)\C=C\C1=CC=CN=C1 HR103975 [0,2,0,0,0,0|1,0,0]=3 610 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 HR150974 [0,2,0,0,0,0|1,0,0]=3 611 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC HR125602 [0,2,0,0,0,0|0,0,1]=3 612 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 HR125553 [0,2,0,0,0,0|0,0,2]=4 613 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 HR135873 [0,2,0,0,0,0|0,0,2]=4 614 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 HR128232 [0,2,0,0,0,0|0,0,2]=4 615 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 HR147286 [0,2,0,0,0,0|0,0,2]=4 616 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 HR148578 [0,2,0,0,0,0|0,0,2]=4 617 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 HR121759 [0,2,0,0,0,0|0,0,2]=4 618 B13R1.148 CC(Oc1cccc(Cl)c1)C(=O)O HR106123 [0,2,0,0,0,0|1,0,1]=4 619 B13R1.148 CC1=CC(CC(N)C(=O)O)=CC=C1 HR118605 [0,2,0,0,0,0|0,0,2]=4 620 B13R1.148 CC1=CC=CC(CC(N)C(=O)O)=C1 HR128337 [0,2,0,0,0,0|0,0,2]=4 621 B13R1.148 CC1=CC=CC(NC(C)C(=O)O)=C1 HR128072 [0,2,0,0,0,0|1,0,1]=4 622 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(=O)O HR117126 [0,2,0,0,0,0|0,0,2]=4 623 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(=O)O HR142584 [0,2,0,0,0,0|0,0,2]=4 624 B13R1.148 NC(CC1=CC(Cl)=CC=C1)C(=O)O HR138211 [0,2,0,0,0,0|0,0,2]=4 625 B13R1.148 NC(CC1=CC(Cl)=CC=C1)C(=O)O HR138476 [0,2,0,0,0,0|0,0,2]=4 626 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O HR122174 [0,2,0,0,0,0|0,0,2]=4 627 B13R1.148 NC(CC1=CC(F)=CC=C1)C(=O)O HR129160 [0,2,0,0,0,0|0,0,2]=4 628 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O HR128026 [0,2,0,0,0,0|0,0,2]=4 629 B13R1.148 NC(Cc1cccc(F)c1)C(=O)O HR132794 [0,2,0,0,0,0|0,0,2]=4 630 B13R1.152 NC(C(=O)O)C(O)c1ccccc1 HR121955 [0,2,0,0,0,0|0,0,2]=4 631 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O HR138553 [0,2,0,0,0,0|0,0,2]=4 632 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O HR139387 [0,2,0,0,0,0|0,0,2]=4 633 B13R1.152 O=C(O)C(=O)C(=O)C1=CC=CC=C1 HR132260 [0,2,0,0,0,0|0,0,0]=2 634 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 HR143077 [0,2,0,0,0,0|0,0,2]=4 635 B13R1.152 O=C(O)\C(Br)=C(\Br)C1=CC=CC=C1 HR101649 [0,2,0,0,0,0|0,0,0]=2 636 B13R1.202 CC1=C(CC(N)C(=O)O)C=CC=C1 HR129637 [0,2,0,0,0,0|0,0,2]=4 637 B13R1.202 CC1=C(NC(C)C(=O)O)C=CC=C1 HR129900 [0,2,0,0,0,0|1,0,1]=4 638 B13R1.202 Cc1ccccc1CC(N)C(=O)O HR108718 [0,2,0,0,0,0|0,0,2]=4 639 B13R1.202 NC(CC1=C(Br)C=CC=C1)C(=O)O HR108402 [0,2,0,0,0,0|0,0,2]=4 640 B13R1.202 NC(CC1=C(Br)C=CC=C1)C(=O)O HR129405 [0,2,0,0,0,0|0,0,2]=4 641 B13R1.202 NC(CC1=C(Br)C=CC=C1)C(=O)O HR134960 [0,2,0,0,0,0|0,0,2]=4 642 B13R1.202 NC(CC1=C(Cl)C=CC=C1)C(=O)O HR118912 [0,2,0,0,0,0|0,0,2]=4 643 B13R1.202 NC(CC1=C(Cl)C=CC=C1)C(=O)O HR133495 [0,2,0,0,0,0|0,0,2]=4 644 B13R1.202 NC(CC1=C(Cl)C=CC=C1)C(=O)O HR133759 [0,2,0,0,0,0|0,0,2]=4 645 B13R1.202 NC(CC1=C(F)C=CC=C1)C(=O)O HR126330 [0,2,0,0,0,0|0,0,2]=4 646 B13R1.202 NC(CC1=C(F)C=CC=C1)C(=O)O HR126590 [0,2,0,0,0,0|0,0,2]=4 647 B13R1.202 NC(CC1=C(F)C=CC=C1)C(=O)O HR140428 [0,2,0,0,0,0|0,0,2]=4 648 B13R1.202 NC(Cc1ccccc1O)C(=O)O HR142658 [0,2,0,0,0,0|0,0,2]=4 649 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O HR108940 [0,2,0,0,0,0|0,0,2]=4 650 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O HR103052 [0,2,0,0,0,0|0,0,2]=4 651 B13R1.418 O=C(O)C(CO)Cc1ccccc1 DEJL02505 [0,2,0,0,0,0|0,0,2]=4 652 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O HR126134 [0,2,0,0,0,0|1,0,1]=4 653 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O HR139665 [0,2,0,0,0,0|0,0,2]=4 654 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O HR141470 [0,2,0,0,0,0|0,0,2]=4 655 B13R1.147 CC1=CC=CC(C(N)CC(=O)O)=C1 HR141667 [0,2,0,0,0,0|0,0,2]=4 656 B13R1.147 NC(CC(=O)O)C1=CC(Br)=CC=C1 HR142682 [0,2,0,0,0,0|0,0,2]=4 657 B13R1.147 NC(CC(=O)O)C1=CC(Cl)=CC=C1 HR101125 [0,2,0,0,0,0|0,0,2]=4 658 B13R1.147 NC(CC(=O)O)C1=CC(F)=CC=C1 HR121644 [0,2,0,0,0,0|0,0,2]=4 659 B13R1.201 CC(=O)CC(=O)C1=C(O)C=CC=C1 HR141768 [0,2,0,0,0,0|1,0,1]=4 660 B13R1.201 CC1=C(C(N)CC(=O)O)C=CC=C1 HR147115 [0,2,0,0,0,0|0,0,2]=4 661 B13R1.201 NC(CC(=O)O)C1=C(Cl)C=CC=C1 HR142303 [0,2,0,0,0,0|0,0,2]=4 662 B13R1.201 NC(CC(=O)O)C1=C(F)C=CC=C1 HR105911 [0,2,0,0,0,0|0,0,2]=4 663 B13R1.201 NC(CC(=O)O)C1=C(F)C=CC=C1 HR106227 [0,2,0,0,0,0|0,0,2]=4 664 B13R1.201 NC(CC(=O)O)C1=C(F)C=CC=C1 HR121240 [0,2,0,0,0,0|0,0,2]=4 665 B13R1.201 O=C(O)CC(=O)C1=C(Cl)C=CC=C1 HR113872 [0,2,0,0,0,0|0,0,1]=3 666 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 HR105934 [0,2,0,0,0,0|0,0,2]=4 667 B13R1.352 NS(=O)(=O)\C=C(\Cl)C1=CC=CC=C1 HR121081 [0,2,0,0,0,0|1,0,1]=4 668 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 HR100917 [0,2,0,0,0,0|0,0,2]=4 669 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 HR113677 [0,2,0,0,0,0|0,0,2]=4 670 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 HR113991 [0,2,0,0,0,0|0,0,2]=4 671 B13R1.90 COC1=C(CCC(=O)O)C=CC=C1 HR140047 [0,2,0,0,0,0|0,0,2]=4 672 B13R1.90 COC1=C(\C=C\C(=O)O)C=CC=C1 HR142462 [0,2,0,0,0,0|0,0,0]=2 673 B13R1.90 O=CC1=C(OCC(=O)O)C=CC=C1 HR120450 [0,2,0,0,0,0|1,0,1]=4 674 B13R1.90 O=CC1=C(\C=C\C(=O)O)C=CC=C1 HR136594 [0,2,0,0,0,0|0,0,0]=2 675 B13R1.150 O=C(O)COC1=C(Cl)C(Cl)=CC=C1 HR103712 [0,2,0,0,0,0|1,0,1]=4 676 B13R1.150 O=C(O)COC1=C(Cl)C(Cl)=CC=C1 HR140025 [0,2,0,0,0,0|1,0,1]=4 677 B13R1.150 O=C(O)\C=C\C1=C(Cl)C(Cl)=CC=C1 HR140254 [0,2,0,0,0,0|0,0,0]=2 678 B13R1.150 O=C(O)\C=C\C1=C(F)C(F)=CC=C1 HR117154 [0,2,0,0,0,0|0,0,0]=2 679 B13R1.150 O=C(O)\C=C\C1=C(F)C(F)=CC=C1 HR139202 [0,2,0,0,0,0|0,0,0]=2 680 B13R1.893 O=C(O)\C=C\C1=C(Br)C=CC(F)=C1 HR140743 [0,2,0,0,0,0|0,0,0]=2 681 B13R1.893 O=C(O)\C=C\C1=C(Cl)C=CC(Cl)=C1 HR140156 [0,2,0,0,0,0|0,0,0]=2 682 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(Br)=C1 HR143367 [0,2,0,0,0,0|0,0,0]=2 683 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(F)=C1 HR107093 [0,2,0,0,0,0|0,0,0]=2 684 B13R1.3787 CC1=CC=CC(C)=C1OCC(=O)O HR137745 [0,2,0,0,0,0|1,0,1]=4 685 B13R1.3787 CC1=CC=CC(Cl)=C1OCC(=O)O HR113705 [0,2,0,0,0,0|1,0,1]=4 686 B13R1.3787 O=C(O)\C=C\C1=C(Cl)C=CC=C1Cl HR144604 [0,2,0,0,0,0|0,0,0]=2 687 B13R1.3787 O=C(O)\C=C\C1=C(Cl)C=CC=C1F HR139776 [0,2,0,0,0,0|0,0,0]=2 688 B13R1.3787 O=[N+]([O-])\C=C\C1=C(Cl)C=CC=C1Cl HR115686 [0,2,0,0,0,0|1,0,1]=4 689 B13R1.643 COC1=CC=CC(CCC(=O)O)=C1 HR123360 [0,2,0,0,0,0|0,0,2]=4 690 B13R1.643 COC1=CC=CC(\C=C\C(=O)O)=C1 HR123445 [0,2,0,0,0,0|0,0,0]=2 691 B13R1.643 N#CC1=CC=CC(CCC(=O)O)=C1 HR115521 [0,2,0,0,0,0|0,0,2]=4 692 B13R1.643 N#CC1=CC=CC(\C=C\C(=O)O)=C1 HR122167 [0,2,0,0,0,0|0,0,0]=2 693 B13R1.3420 O=C(O)CCC1=CC(F)=CC(F)=C1 HR102094 [0,2,0,0,0,0|0,0,2]=4 694 B13R1.3420 O=C(O)\C=C\C1=CC(F)=CC(F)=C1 HR129417 [0,2,0,0,0,0|0,0,0]=2 695 B13R1.3420 O=C(O)\C=C\C1=CC(F)=CC(F)=C1 HR139114 [0,2,0,0,0,0|0,0,0]=2 696 B11R1.53 C=CC1=C(B(O)O)C=CC=C1 HR103754 [0,0,1,1,0,0|1,0,1]=4 697 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 HR110269 [0,0,1,1,0,0|0,0,0]=2 698 B11R1.53 CC(=O)C1=C(C=O)C=CC=C1 HR106416 [0,0,1,1,0,0|2,0,0]=4 699 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 HR118156 [0,0,1,1,0,0|0,0,2]=4 700 B11R1.53 COC1=C(C(=O)O)C=CC=C1 HR105931 [0,0,1,1,0,0|1,0,1]=4 701 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 HR112220 [0,0,1,1,0,0|1,0,1]=4 702 B11R1.53 N#CC1=C(C(=O)O)C=CC=C1 HR144442 [0,0,1,1,0,0|1,0,1]=4 703 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 HR136121 [0,0,1,1,0,0|2,0,0]=4 704 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 HR102598 [0,0,1,1,0,0|1,0,1]=4 705 B11R1.53 O=C(O)C1=C(CCl)C=CC=C1 HR128012 [0,0,1,1,0,0|1,0,1]=4 706 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 HR125418 [0,0,1,1,0,0|1,0,0]=3 707 B11R1.266 C=CC1=CC=CC(B(O)O)=C1 HR141230 [0,0,1,1,0,0|1,0,1]=4 708 B11R1.266 CC(=O)C1=CC=CC(C=O)=C1 HR106105 [0,0,1,1,0,0|2,0,0]=4 709 B11R1.266 CCC1=CC=CC(C(=O)O)=C1 HR100903 [0,0,1,1,0,0|0,0,2]=4 710 B11R1.266 COC1=CC=CC(C(=O)O)=C1 HR123361 [0,0,1,1,0,0|1,0,1]=4 711 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 HR101780 [0,0,1,1,0,0|1,0,1]=4 712 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 HR141517 [0,0,1,1,0,0|1,0,1]=4 713 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 HR135571 [0,0,1,1,0,0|1,0,1]=4 714 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 HR113199 [0,0,1,1,0,0|1,0,1]=4 715 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 HR126423 [0,0,1,1,0,0|1,0,1]=4 716 B11R1.266 NNC1=CC=CC(C(=O)O)=C1 HR122213 [0,0,1,1,0,0|2,0,0]=4 717 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 HR119154 [0,0,1,1,0,0|1,0,1]=4 718 B11R1.266 O=C(O)C1=CC(CCl)=CC=C1 HR123696 [0,0,1,1,0,0|1,0,1]=4 719 B11R1.266 O=CC1=CC(C(=O)O)=CC=C1 HR125054 [0,0,1,1,0,0|1,0,0]=3 720 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 HR134116 [0,0,1,1,0,0|1,0,1]=4 721 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=C1 HR124585 [0,0,1,1,0,0|1,0,1]=4 722 B11R1.167 CC1=C(C(=O)O)C=C(F)C=C1 HR30031 [0,0,1,1,0,0|1,0,1]=4 723 B11R1.167 CC1=C(C(=O)O)C=C(I)C=C1 HR122683 [0,0,1,1,0,0|1,0,1]=4 724 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 HR138306 [0,0,1,1,0,0|1,0,1]=4 725 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 HR30598 [0,0,1,1,0,0|1,0,1]=4 726 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 HR138814 [0,0,1,1,0,0|1,0,1]=4 727 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 HR123870 [0,0,1,1,0,0|0,0,2]=4 728 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 HR117709 [0,0,1,1,0,0|1,0,1]=4 729 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 HR120907 [0,0,1,1,0,0|1,0,1]=4 730 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 HR122195 [0,0,1,1,0,0|1,0,1]=4 731 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 HR123567 [0,0,1,1,0,0|1,0,1]=4 732 B11R1.167 CC1=CC=C(O)C(C(=O)O)=C1 HR137452 [0,0,1,1,0,0|1,0,1]=4 733 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 RESA03405 [0,0,1,1,0,0|2,0,0]=4 734 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 HR3575 [0,0,1,1,0,0|2,0,0]=4 735 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 HR125908 [0,0,1,1,0,0|2,0,0]=4 736 B11R1.167 NC1=CC(C(=O)O)=C(Br)C=C1 HR115694 [0,0,1,1,0,0|2,0,0]=4 737 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 HR132277 [0,0,1,1,0,0|2,0,0]=4 738 B11R1.167 NC1=CC(C(=O)O)=C(F)C=C1 HR132984 [0,0,1,1,0,0|2,0,0]=4 739 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 HR102873 [0,0,1,1,0,0|2,0,0]=4 740 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 HR143939 [0,0,1,1,0,0|2,0,0]=4 741 B11R1.167 NC1=CC=C(F)C=C1C(=O)O HR123307 [0,0,1,1,0,0|2,0,0]=4 742 B11R1.167 NC1=CC=C(O)C=C1C(=O)O HR124608 [0,0,1,1,0,0|2,0,0]=4 743 B11R1.167 Nc1ccc(O)c(C(=O)O)c1 HR17623 [0,0,1,1,0,0|2,0,0]=4 744 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 HR127167 [0,0,1,1,0,0|2,0,0]=4 745 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 HR132724 [0,0,1,1,0,0|2,0,0]=4 746 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=C1 HR131626 [0,0,1,1,0,0|2,0,0]=4 747 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 HR115074 [0,0,1,1,0,0|2,0,0]=4 748 B11R1.167 O=C(O)C1=C(Br)C=CC(O)=C1 HR148226 [0,0,1,1,0,0|2,0,0]=4 749 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 HR132954 [0,0,1,1,0,0|2,0,0]=4 750 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 HR128371 [0,0,1,1,0,0|2,0,0]=4 751 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 HR132158 [0,0,1,1,0,0|2,0,0]=4 752 B11R1.167 O=C(O)C1=C(Cl)C=CC(I)=C1 SOSA06011 [0,0,1,1,0,0|2,0,0]=4 753 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=C1 HR120602 [0,0,1,1,0,0|2,0,0]=4 754 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=C1 HR1312 [0,0,1,1,0,0|2,0,0]=4 755 B11R1.167 O=C(O)C1=C(F)C=CC(Cl)=C1 HR134000 [0,0,1,1,0,0|2,0,0]=4 756 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 HR135679 [0,0,1,1,0,0|2,0,0]=4 757 B11R1.167 O=C(O)C1=C(F)C=CC(I)=C1 HR127973 [0,0,1,1,0,0|2,0,0]=4 758 B11R1.167 O=C(O)C1=C(F)C=CC(O)=C1 HR32142 [0,0,1,1,0,0|2,0,0]=4 759 B11R1.167 O=C(O)C1=C(I)C=CC(Br)=C1 HR127226 [0,0,1,1,0,0|2,0,0]=4 760 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 HR102316 [0,0,1,1,0,0|2,0,0]=4 761 B11R1.167 O=C(O)C1=C(I)C=CC(F)=C1 HR108423 [0,0,1,1,0,0|2,0,0]=4 762 B11R1.167 O=C(O)C1=C(I)C=CC(I)=C1 HR102404 [0,0,1,1,0,0|2,0,0]=4 763 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=C1 HOJB00102 [0,0,1,1,0,0|2,0,0]=4 764 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 HR134732 [0,0,1,1,0,0|2,0,0]=4 765 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1O HR130985 [0,0,1,1,0,0|2,0,0]=4 766 B11R1.167 O=C(O)C1=CC(F)=CC=C1O HR146625 [0,0,1,1,0,0|2,0,0]=4 767 B11R1.167 O=C(O)C1=CC(I)=CC=C1O HR137193 [0,0,1,1,0,0|2,0,0]=4 768 B11R2.1 BrC1=COC2=C1C=CC=C2 HR30485 [1,0,0,1,0,0|2,0,0]=4 769 B11R2.1 BrC1=CSC2=C1C=CC=C2 HR128386 [1,0,0,1,0,0|2,0,0]=4 770 B11R2.1 CC1=CNC2=CC=CC=C12 HR135810 [1,0,0,1,0,0|2,0,0]=4 771 B11R2.1 CC1=COC2=C1C=CC=C2 HR102411 [1,0,0,1,0,0|2,0,0]=4 772 B11R2.1 CC1=CSC2=C1C=CC=C2 HR105620 [1,0,0,1,0,0|2,0,0]=4 773 B11R2.1 CN1C=CC2=CC=CC=C21 HR136081 [1,0,0,1,0,0|2,0,0]=4 774 B11R2.1 ClC1=CNC2=CC=CC=C12 HR116332 [1,0,0,1,0,0|2,0,0]=4 775 B11R2.1 IC1=CNC2=CC=CC=C12 HR117539 [1,0,0,1,0,0|2,0,0]=4 776 B11R2.1 NC1=CSC2=C1C=CC=C2 HR148471 [1,0,0,1,0,0|2,0,0]=4 777 B11R2.1 NN1C=CC2=CC=CC=C21 HR125653 [1,0,0,1,0,0|2,0,0]=4 778 B11R2.1 O=C1CCC2=CC=CC=C12 HR123123 [1,0,0,1,0,0|0,0,2]=4 779 B11R2.1 O=C1COC2=C1C=CC=C2 HR144627 [1,0,0,1,0,0|1,0,1]=4 780 B11R2.1 O=C1COc2ccccc21 HR123845 [1,0,0,1,0,0|1,0,1]=4 781 B11R2.1 O=C1CSC2=C1C=CC=C2 HR147144 [1,0,0,1,0,0|1,0,1]=4 782 B11R2.1 O=C1NCC2=CC=CC=C12 HR30555 [1,0,0,1,0,0|1,0,1]=4 783 B11R2.1 O=C1NNC2=CC=CC=C12 HR30556 [1,0,0,1,0,0|2,0,0]=4 784 B11R2.1 O=C1NSC2=C1C=CC=C2 HR134421 [1,0,0,1,0,0|2,0,0]=4 785 B11R2.1 O=C1OCC2=C1C=CC=C2 HR124467 [1,0,0,1,0,0|1,0,1]=4 786 B11R2.1 O=S1C=CC2=C1C=CC=C2 HR124927 [1,0,0,1,0,0|1,0,0]=3 787 B11R2.1 OC1=CSC2=C1C=CC=C2 HR124656 [1,0,0,1,0,0|1,0,0]=3 788 B11R2.1 OC1=NNC2=CC=CC=C21 HR120308 [1,0,0,1,0,0|2,0,0]=4 789 B11R2.1 OC1=NOC2=C1C=CC=C2 HR31889 [1,0,0,1,0,0|2,0,0]=4 790 B11R2.20 C1=CC2=C(C=C1)ONC=C2 HR100114 [1,0,0,1,0,0|1,0,0]=3 791 B11R2.20 C1=CC2=CN=CC=C2N=C1 HR32356 [1,0,0,1,0,0|2,0,0]=4 792 B11R2.20 C1=CC=C2C=NC=CC2=C1 HR147063 [1,0,0,1,0,0|2,0,0]=4 793 B11R2.20 C1=CC=C2N=CC=CC2=C1 HR147709 [1,0,0,1,0,0|1,0,0]=3 794 B11R2.20 C1=CC=C2N=CC=NC2=C1 HR127378 [1,0,0,1,0,0|2,0,0]=4 795 B11R2.20 C1=CC=C2N=CN=CC2=C1 HR126318 [1,0,0,1,0,0|2,0,0]=4 796 B11R2.20 C1=CN=C2C=CC=NC2=C1 HR32788 [1,0,0,1,0,0|2,0,0]=4 797 B11R2.20 C1=CN=C2N=CC=CC2=C1 HR100581 [1,0,0,1,0,0|2,0,0]=4 798 B11R2.10 BrC1=CC2=C(C=CC=C2)S1 HR114585 [0,0,0,1,1,0|1,1,0]=4 799 B11R2.10 BrC1=CC2=CC=CC=C2C1 HR136265 [0,0,0,1,1,0|2,0,0]=4 800 B11R2.10 BrC1=CC2=CC=CC=C2N1 HR144441 [0,0,0,1,1,0|2,0,0]=4 801 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 HR32327 [0,0,0,1,1,0|2,0,0]=4 802 B11R2.10 CC1=CC2=C(C=CC=C2)O1 HR110370 [0,0,0,1,1,0|1,0,0]=3 803 B11R2.10 CC1=CC2=C(C=CC=C2)S1 HR112383 [0,0,0,1,1,0|1,1,0]=4 804 B11R2.10 CC1=CC2=CC=CC=C2C1 HR5381 [0,0,0,1,1,0|2,0,0]=4 805 B11R2.10 CC1=CC2=CC=CC=C2N1 HR7504 [0,0,0,1,1,0|2,0,0]=4 806 B11R2.10 CC1=NC2=C(C=CC=C2)O1 HR129200 [0,0,0,1,1,0|2,0,0]=4 807 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 HR137239 [0,0,0,1,1,0|2,0,0]=4 808 B11R2.10 NC1=CC2=C(C=CC=C2)S1 HR148251 [0,0,0,1,1,0|1,1,0]=4 809 B11R2.10 NC1=NC2=C(C=CC=C2)O1 HR105090 [0,0,0,1,1,0|2,0,0]=4 810 B11R2.10 O=C1C=C2C=CC=CN2N1 HR115261 [0,0,0,1,1,0|2,0,0]=4 811 B11R2.10 O=C1CC2=CC=CC=C2C1 HR132361 [0,0,0,1,1,0|1,0,1]=4 812 B11R2.10 O=C1CC2=CC=CC=C2N1 HR131240 [0,0,0,1,1,0|1,0,1]=4 813 B11R2.10 O=C1CC2=CC=CC=C2O1 HR107478 [0,0,0,1,1,0|0,0,1]=3 814 B11R2.10 O=C1N=C2C=CC=CC2=N1 HR115512 [0,0,0,1,1,0|2,0,0]=4 815 B11R2.10 O=C1NC2=C(C=CC=C2)O1 HR126250 [0,0,0,1,1,0|1,0,0]=3 816 B11R2.10 O=C1NC2=NC=CC=C2O1 HR128757 [0,0,0,1,1,0|2,0,0]=4 817 B11R2.10 OC1=CN2C=CC=CC2=N1 HR110660 [0,0,0,1,1,0|2,0,0]=4 818 B11R2.10 OC1=NC2=C(C=CC=C2)N1 HR135442 [0,0,0,1,1,0|2,0,0]=4 819 B11R2.10 OC1=NC2=C(C=CC=C2)S1 HR119918 [0,0,0,1,1,0|1,1,0]=4 820 B11R2.10 SC1=NC2=C(C=CC=C2)O1 HR8630 [0,0,0,1,1,0|1,1,0]=4 821 B11R2.36 OC1=CC2=C(C=C1)OC=C2 HR33342 [0,0,0,1,1,0|2,0,0]=4 822 B11R2.36 OC1=CC2=C(C=CO2)C=C1 HR30490 [0,0,0,1,1,0|2,0,0]=4 823 B11R2.36 OC1=CC2=C(C=CS2)C=C1 HR31386 [0,0,0,1,1,0|2,0,0]=4 824 B11R2.36 OC1=CC=C2C=CNC2=C1 HR137406 [0,0,0,1,1,0|2,0,0]=4 825 B11R2.36 OC1=CC=C2C=CNC2=N1 HR148606 [0,0,0,1,1,0|2,0,0]=4 826 B11R2.36 OC1=CC=C2NC=CC2=C1 HR122290 [0,0,0,1,1,0|2,0,0]=4 827 B13R2.10 BrC1=CC=C(C2=CC=CC=C2)S1 HR103317 [0,0,0,1,0,1|1,1,0]=4 828 B13R2.10 BrC1=CN=C(C2=CC=CC=C2)O1 HR113924 [0,0,0,1,0,1|1,0,0]=3 829 B13R2.10 BrC1=CN=C(C2=CC=CC=C2)S1 HR34038 [0,0,0,1,0,1|1,1,0]=4 830 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 HR32567 [0,0,0,1,0,1|2,0,0]=4 831 B13R2.10 BrC1=NC(C2=CC=CC=C2)=CS1 HR115644 [0,0,0,1,0,1|2,0,0]=4 832 B13R2.10 BrC1=NC=C(C2=CC=CC=C2)O1 HR147269 [0,0,0,1,0,1|1,0,0]=3 833 B13R2.10 BrC1=NC=C(C2=CC=CC=C2)S1 HR108351 [0,0,0,1,0,1|1,1,0]=4 834 B13R2.10 BrC1=NN=C(C2=CC=CC=C2)O1 HR147268 [0,0,0,1,0,1|2,0,0]=4 835 B13R2.10 CC1=CNC(C2=CC=CC=C2)=N1 HR126036 [0,0,0,1,0,1|2,0,0]=4 836 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 HR107804 [0,0,0,1,0,1|2,0,0]=4 837 B13R2.10 CC1=NC(C2=CC=CC=C2)=CS1 HR112223 [0,0,0,1,0,1|2,0,0]=4 838 B13R2.10 ClC1=NC=C(C2=CC=CC=C2)O1 HR113341 [0,0,0,1,0,1|1,0,0]=3 839 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 HR118233 [0,0,0,1,0,1|2,0,0]=4 840 B13R2.10 NC1=NC=C(C2=CC=CC=C2)S1 HR139196 [0,0,0,1,0,1|1,1,0]=4 841 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 HR115028 [0,0,0,1,0,1|2,0,0]=4 842 B13R2.10 Nc1nc(-c2ccccc2)cs1 HR113886 [0,0,0,1,0,1|2,0,0]=4 843 B13R2.10 O=C1C=NC(C2=CC=CC=C2)O1 HR146476 [0,0,0,1,0,1|0,0,1]=3 844 B13R2.10 O=C1N=CN(C2=CC=CC=C2)N1 HR142183 [0,0,0,1,0,1|2,0,0]=4 845 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 HR103308 [0,0,0,1,0,1|2,0,0]=4 846 B13R2.10 OC1=NOC(C2=CC=CC=C2)=C1 HR127003 [0,0,0,1,0,1|2,0,0]=4 847 B13R2.10 S=C1NC(C2=CC=CC=C2)=CS1 HR144992 [0,0,0,1,0,1|1,1,0]=4 848 B13R2.10 S=C1NN=C(C2=CC=CC=C2)O1 HR100354 [0,0,0,1,0,1|1,1,0]=4 849 B13R2.72 CC(=O)C1=CN=C2C=CC=CN12 HR110715 [0,0,0,1,0,1|2,0,0]=4 850 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 SASA03102 [0,0,0,1,0,1|1,0,0]=3 851 B13R2.72 CC(=O)C1=CNC2=NC=CC=C12 HR120883 [0,0,0,1,0,1|2,0,0]=4 852 B13R2.72 CC(=O)C1=NNC2=CC=CC=C21 HR105510 [0,0,0,1,0,1|2,0,0]=4 853 B13R2.72 CC(=O)c1csc2ccccc12 HR128116 [0,0,0,1,0,1|1,0,0]=3 854 B13R2.72 NC(=O)C1=CNC2=NC=CC=C12 HR149988 [0,0,0,1,0,1|2,0,0]=4 855 B13R2.72 O=C(O)C1=C2C=CC=CC2=CN1 HR104526 [0,0,0,1,0,1|0,0,0]=2 856 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 HR102855 [0,0,0,1,0,1|1,0,0]=3 857 B13R2.72 O=C(O)C1=C2C=CC=CN2C=N1 HR111259 [0,0,0,1,0,1|1,0,0]=3 858 B13R2.72 O=C(O)C1=C2C=CC=CN2N=C1 HR119702 [0,0,0,1,0,1|1,0,0]=3 859 B13R2.72 O=C(O)C1=C2N=CC=CN2N=C1 HR106662 [0,0,0,1,0,1|2,0,0]=4 860 B13R2.72 O=C(O)C1=CC=C2N=CC=CN21 HR146433 [0,0,0,1,0,1|2,0,0]=4 861 B13R2.72 O=C(O)C1=CN=C2C=CC=CN12 HR110938 [0,0,0,1,0,1|1,0,0]=3 862 B13R2.72 O=C(O)C1=CNC2=C1C=NC=C2 HR105347 [0,0,0,1,0,1|1,0,0]=3 863 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 HR125466 [0,0,0,1,0,1|0,0,0]=2 864 B13R2.72 O=C(O)C1=CNC2=CC=CN=C21 HR139020 [0,0,0,1,0,1|1,0,0]=3 865 B13R2.72 O=C(O)C1=CNC2=CN=CC=C21 HR105663 [0,0,0,1,0,1|1,0,0]=3 866 B13R2.72 O=C(O)C1=CNC2=NC=CC=C12 HR107791 [0,0,0,1,0,1|1,0,0]=3 867 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 HR125651 [0,0,0,1,0,1|0,0,0]=2 868 B13R2.72 O=C(O)C1=NNC2=C1C=NC=C2 HR148224 [0,0,0,1,0,1|2,0,0]=4 869 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 HR132926 [0,0,0,1,0,1|1,0,0]=3 870 B13R2.72 O=C(O)C1=NNC2=CC=CN=C21 HR148522 [0,0,0,1,0,1|2,0,0]=4 871 B13R2.72 O=C(O)C1=NNC2=CN=CC=C21 HR105427 [0,0,0,1,0,1|2,0,0]=4 872 B13R2.72 O=C(O)C1=NNC2=NC=CC=C21 HR118984 [0,0,0,1,0,1|2,0,0]=4 873 B13R2.72 O=C(O)C1=NOC2=C1C=CC=C2 HR110820 [0,0,0,1,0,1|1,0,0]=3 874 B13R2.72 O=C(O)C1CCC2=CC=CC=C21 HR117548 [0,0,0,1,0,1|0,0,2]=4 875 B13R2.72 O=C(O)C1CNC2=CC=CC=C21 HR129680 [0,0,0,1,0,1|0,0,2]=4 876 B13R2.72 O=C(O)C1NCC2=CC=CC=C21 HR112630 [0,0,0,1,0,1|0,0,2]=4 877 B13R2.72 O=[N+]([O-])C1=CSC2=C1C=CC=C2 HR124391 [0,0,0,1,0,1|1,0,1]=4 878 B13R2.72 OB(O)C1=CNC2=CC=CC=C21 HR115970 [0,0,0,1,0,1|1,0,1]=4 879 B13R2.72 OB(O)C1=CSC2=C1C=CC=C2 HR110582 [0,0,0,1,0,1|1,0,1]=4 880 B13R2.423 O=C(O)C1OC1C2=CC=CC=C2 HR116845 [0,0,0,1,0,1|0,0,2]=4 881 B13R2.155 BrC1=CC=C2C=CC(Br)=CC2=C1 HR119549 [0,1,0,1,0,0|2,0,0]=4 882 B13R2.155 CC1=CC=C2C=CC(=O)C=C2N1 HR140110 [0,1,0,1,0,0|2,0,0]=4 883 B13R2.155 CC1=CC=C2C=CC(C)=NC2=C1 HR154938 [0,1,0,1,0,0|2,0,0]=4 884 B13R2.155 CC1=NC2=CC(Br)=CC=C2C=C1 HR110063 [0,1,0,1,0,0|2,0,0]=4 885 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 HR130724 [0,1,0,1,0,0|2,0,0]=4 886 B13R2.155 CC1=NC2=CC(F)=CC=C2C=C1 HR130912 [0,1,0,1,0,0|2,0,0]=4 887 B13R2.155 CC1=NC2=CC(N)=CC=C2C=C1 HR142638 [0,1,0,1,0,0|2,0,0]=4 888 B13R2.155 CC1=NC2=CC(N)=CC=C2C=C1 HR154940 [0,1,0,1,0,0|2,0,0]=4 889 B13R2.155 ClC1=NC2=CC(Br)=CC=C2C=C1 HR30353 [0,1,0,1,0,0|2,0,0]=4 890 B13R2.155 NC1=NC2=CC(Br)=CC=C2C=C1 HR33675 [0,1,0,1,0,0|2,0,0]=4 891 B13R2.155 O=C1C=CC2=CC=C(Br)C=C2N1 HR117835 [0,1,0,1,0,0|1,0,0]=3 892 B13R2.155 O=C1C=CC2=CC=C(Cl)C=C2N1 HR107206 [0,1,0,1,0,0|1,0,0]=3 893 B13R2.155 O=C1C=CC2=CC=C(O)C=C2N1 HR32216 [0,1,0,1,0,0|1,0,0]=3 894 B13R2.155 O=C1C=NC2=CC=C(Br)C=C2N1 HR119387 [0,1,0,1,0,0|2,0,0]=4 895 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=C1 HR118618 [0,1,0,1,0,0|1,0,0]=3 896 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=N1 HR148590 [0,1,0,1,0,0|2,0,0]=4 897 B13R2.155 OC1=CC2=CC(Br)=CC=C2N=C1 HR104558 [0,1,0,1,0,0|2,0,0]=4 898 B13R2.155 OC1=CC=C2C=CC(O)=CC2=C1 HR122277 [0,1,0,1,0,0|1,0,0]=3 899 B13R2.155 SC1=CC=C2C=CC(S)=CC2=C1 HR115725 [0,1,0,1,0,0|1,1,0]=4 900 B13R2.3791 Nc1ccc2c(c1)S(=O)(=O)C=C2 HR146415 [0,1,0,1,0,0|1,0,1]=4 901 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=C1 HR121445 [0,1,0,1,0,0|2,0,0]=4 902 B13R2.32 CC1=C(Br)C2=CC=CC=C2C=C1 HR139559 [0,1,0,1,0,0|2,0,0]=4 903 B13R2.32 CC1=C(O)C=NC2=CC=CC=C21 HR146470 [0,1,0,1,0,0|2,0,0]=4 904 B13R2.32 FC1=C(Br)C=CC2=CC=CC=C21 HR106551 [0,1,0,1,0,0|2,0,0]=4 905 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 HR33510 [0,1,0,1,0,0|2,0,0]=4 906 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 HR100471 [0,1,0,1,0,0|1,0,0]=3 907 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 HR142557 [0,1,0,1,0,0|1,0,0]=3 908 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O HR103457 [0,1,0,1,0,0|0,0,1]=3 909 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 HR106332 [0,1,0,1,0,0|1,0,0]=3 910 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 HR33196 [0,1,0,1,0,0|1,0,0]=3 911 B13R2.32 OC1=C(Cl)C2=CC=CC=C2C=C1 HR106017 [0,1,0,1,0,0|1,0,0]=3 912 B13R2.32 OC1=C(I)C2=CC=CC=C2C=C1 HR107159 [0,1,0,1,0,0|1,0,0]=3 913 B13R2.32 OC1=C2N=CC=CC2=CC=C1F HR110762 [0,1,0,1,0,0|2,0,0]=4 914 B13R2.32 OC1=CC=C2C=CC=NC2=C1Br HR140644 [0,1,0,1,0,0|2,0,0]=4 915 B13R2.32 OC1=CC=C2C=CN=CC2=C1Br HR33925 [0,1,0,1,0,0|2,0,0]=4 916 B13R2.57 BrCC1=CC2=CC=CC=C2C=C1 HR134032 [0,1,0,1,0,0|2,0,0]=4 917 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 HR114143 [0,1,0,1,0,0|2,0,0]=4 918 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 HR109950 [0,1,0,1,0,0|2,0,0]=4 919 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 HR127711 [0,1,0,1,0,0|2,0,0]=4 920 B13R2.57 COC1=CC2=CC=CC=C2C=C1 HR126746 [0,1,0,1,0,0|1,0,0]=3 921 B13R2.57 COC1=CC2=CC=CC=C2N=C1 HR115467 [0,1,0,1,0,0|2,0,0]=4 922 B13R2.57 COC1=CC=C2C=CC=NC2=C1 HR139828 [0,1,0,1,0,0|2,0,0]=4 923 B13R2.57 COC1=CC=C2C=CN=CC2=C1 HR110390 [0,1,0,1,0,0|2,0,0]=4 924 B13R2.57 COC1=CC=C2C=NC=CC2=C1 HR138017 [0,1,0,1,0,0|2,0,0]=4 925 B13R2.57 COC1=CC=C2N=CC=CC2=C1 HR127148 [0,1,0,1,0,0|2,0,0]=4 926 B13R2.57 COC1=NC2=CC=CC=C2C=C1 HR140305 [0,1,0,1,0,0|1,0,0]=3 927 B13R2.57 COc1ccc2cnccc2c1 HR155104 [0,1,0,1,0,0|2,0,0]=4 928 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 HR129159 [0,1,0,1,0,0|2,0,0]=4 929 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 HR131783 [0,1,0,1,0,0|2,0,0]=4 930 B13R2.57 N#CC1=CC2=CC=CC=C2C=C1 HR142273 [0,1,0,1,0,0|2,0,0]=4 931 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 HR109260 [0,1,0,1,0,0|2,0,0]=4 932 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 HR110455 [0,1,0,1,0,0|2,0,0]=4 933 B13R2.57 NCc1ccc2ccccc2c1 HR119026 [0,1,0,1,0,0|2,0,0]=4 934 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 HR133236 [0,1,0,1,0,0|2,0,0]=4 935 B13R2.57 NNc1ccc2ccccc2c1 HR125777 [0,1,0,1,0,0|2,0,0]=4 936 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 HR135770 [0,1,0,1,0,0|1,0,0]=3 937 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 HR102802 [0,1,0,1,0,0|2,0,0]=4 938 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 HR134019 [0,1,0,1,0,0|2,0,0]=4 939 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 HR127373 [0,1,0,1,0,0|2,0,0]=4 940 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 HR131449 [0,1,0,1,0,0|2,0,0]=4 941 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 TIJL00803 [0,1,0,1,0,0|1,0,0]=3 942 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 HR120863 [0,1,0,1,0,0|2,0,0]=4 943 B13R2.57 O=CC1=NC2=CN=CC=C2C=C1 HR146508 [0,1,0,1,0,0|2,0,0]=4 944 B13R2.57 O=CC1=NC2=NC=CC=C2C=C1 HR146505 [0,1,0,1,0,0|2,0,0]=4 945 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 HR132727 [0,1,0,1,0,0|1,0,0]=3 946 B13R2.57 OCC1=CC2=CC=CC=C2C=N1 HR148067 [0,1,0,1,0,0|2,0,0]=4 947 B13R2.57 OCC1=CC=C2N=CC=CC2=C1 HR123747 [0,1,0,1,0,0|2,0,0]=4 948 B13R2.57 OCC1=NC2=CC=CC=C2C=C1 HR127763 [0,1,0,1,0,0|1,0,0]=3 949 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 HR30106 [0,1,0,1,0,0|2,0,0]=4 950 B13R2.373 O=C1NC(C2=CC=CC=C2)C1O HR133287 [0,1,0,1,0,0|1,0,1]=4 951 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br HR119870 [0,1,0,1,0,0|2,0,0]=4 952 B13R2.369 BrC1=CC2=CC=CC=C2N=C1Br HR114487 [0,1,0,1,0,0|2,0,0]=4 953 B13R2.369 BrC1=CC2=CC=CC=C2N=C1I HR153219 [0,1,0,1,0,0|2,0,0]=4 954 B13R2.369 CC1=C(O)C=C2C=CC=NC2=C1 HR33575 [0,1,0,1,0,0|2,0,0]=4 955 B13R2.369 CC1=CC2=CC=CC=C2C=C1C HR142272 [0,1,0,1,0,0|2,0,0]=4 956 B13R2.369 CC1=CC2=CC=CC=C2N=C1Br HR121617 [0,1,0,1,0,0|2,0,0]=4 957 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl HR132030 [0,1,0,1,0,0|2,0,0]=4 958 B13R2.369 CC1=NC2=CC=CC=C2C=C1Cl HR146442 [0,1,0,1,0,0|2,0,0]=4 959 B13R2.369 CC1=NC2=CC=CC=C2C=C1N HR147334 [0,1,0,1,0,0|2,0,0]=4 960 B13R2.369 CC1=NC2=CC=CC=C2C=C1O HR146469 [0,1,0,1,0,0|2,0,0]=4 961 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br HR111522 [0,1,0,1,0,0|2,0,0]=4 962 B13R2.369 ClC1=NC2=CC=CC=C2C=C1I HR106905 [0,1,0,1,0,0|2,0,0]=4 963 B13R2.369 NC1=CC2=CC=CC=C2C=C1N HR140719 [0,1,0,1,0,0|2,0,0]=4 964 B13R2.369 NC1=CC2=CC=CC=C2OC1=O HR102651 [0,1,0,1,0,0|0,0,0]=2 965 B13R2.369 O=C1NC2=CC=CC=C2C=C1Br HR109223 [0,1,0,1,0,0|1,0,0]=3 966 B13R2.369 OC1=CC2=CC=CC=C2C=C1O HR136367 [0,1,0,1,0,0|1,0,0]=3 967 B13R2.369 OC1=CC2=CC=CC=C2N=C1Br HR155169 [0,1,0,1,0,0|2,0,0]=4 968 B13R2.369 OC1=NC2=CC=CC=C2N=C1O HR131559 [0,1,0,1,0,0|2,0,0]=4 969 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 HR109140 [0,1,0,1,0,0|1,0,0]=3 970 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 HR128404 [0,1,0,1,0,0|1,0,0]=3 971 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 HR105569 [0,1,0,1,0,0|2,0,0]=4 972 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 HR148295 [0,1,0,1,0,0|2,0,0]=4 973 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)S1 HR107006 [0,1,0,1,0,0|2,0,0]=4 974 B13R2.435 NC(=O)C1=CC2=CC=CC=C2N1 HR143365 [0,1,0,1,0,0|1,0,0]=3 975 B13R2.435 NC(=O)C1=CC2=CC=CN=C2N1 HR150071 [0,1,0,1,0,0|2,0,0]=4 976 B13R2.435 NC(=O)C1=CN2C=CC=CC2=N1 HR114820 [0,1,0,1,0,0|2,0,0]=4 977 B13R2.435 NC(=O)C1=NN2C=CC=CC2=C1 HR109545 [0,1,0,1,0,0|2,0,0]=4 978 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)S1 HR102462 [0,1,0,1,0,0|1,0,0]=3 979 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 HR108437 [0,1,0,1,0,0|0,0,0]=2 980 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 HR30502 [0,1,0,1,0,0|1,0,0]=3 981 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 HR129456 [0,1,0,1,0,0|0,0,0]=2 982 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 HR102870 [0,1,0,1,0,0|1,0,0]=3 983 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 HR30497 [0,1,0,1,0,0|1,0,0]=3 984 B13R2.435 O=C(O)C1=CC2=CC=NC=C2N1 HR105215 [0,1,0,1,0,0|1,0,0]=3 985 B13R2.435 O=C(O)C1=CC2=CC=NC=C2S1 HR30737 [0,1,0,1,0,0|1,0,0]=3 986 B13R2.435 O=C(O)C1=CC2=CN=CC=C2N1 HR105531 [0,1,0,1,0,0|1,0,0]=3 987 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 HR105840 [0,1,0,1,0,0|1,0,0]=3 988 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 HR31437 [0,1,0,1,0,0|1,0,0]=3 989 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 HR30747 [0,1,0,1,0,0|2,0,0]=4 990 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 HR105993 [0,1,0,1,0,0|1,0,0]=3 991 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 HR34043 [0,1,0,1,0,0|2,0,0]=4 992 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 HR32315 [0,1,0,1,0,0|2,0,0]=4 993 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 HR109475 [0,1,0,1,0,0|1,0,0]=3 994 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 HR32606 [0,1,0,1,0,0|1,0,0]=3 995 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 HR105590 [0,1,0,1,0,0|1,0,0]=3 996 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 HR106524 [0,1,0,1,0,0|1,0,0]=3 997 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 HR148971 [0,1,0,1,0,0|2,0,0]=4 998 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)O1 HR105154 [0,1,0,1,0,0|0,0,2]=4 999 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 HR137880 [0,1,0,1,0,0|0,0,2]=4 1000 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 HR3035 [0,1,0,1,0,0|0,0,2]=4 1001 B13R2.435 O=C(O)C1Cc2ccccc2N1 HR129285 [0,1,0,1,0,0|0,0,2]=4 1002 B13R2.435 O=C(O)c1cc2ccccc2s1 HR137708 [0,1,0,1,0,0|0,0,0]=2 1003 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)S1 HR115048 [0,1,0,1,0,0|1,0,1]=4 1004 B13R2.328 BrC1=CC2=CC=CC=C2C(Br)=C1 HR121126 [0,1,0,1,0,0|2,0,0]=4 1005 B13R2.328 CC1=CC(=O)NC2=CC=CC=C12 HR140324 [0,1,0,1,0,0|1,0,0]=3 1006 B13R2.328 CC1=CC(Br)=CC2=CC=CC=C12 HR121259 [0,1,0,1,0,0|2,0,0]=4 1007 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 HR120986 [0,1,0,1,0,0|2,0,0]=4 1008 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 HR122267 [0,1,0,1,0,0|2,0,0]=4 1009 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 HR114558 [0,1,0,1,0,0|2,0,0]=4 1010 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 HR146529 [0,1,0,1,0,0|1,0,0]=3 1011 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 HR117200 [0,1,0,1,0,0|2,0,0]=4 1012 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 HR131465 [0,1,0,1,0,0|2,0,0]=4 1013 B13R2.328 CC1=NC2=CC=CC=C2C(N)=C1 HR132862 [0,1,0,1,0,0|2,0,0]=4 1014 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 HR118025 [0,1,0,1,0,0|2,0,0]=4 1015 B13R2.328 ClC1=CC(Br)=NC2=CC=CC=C12 HR121309 [0,1,0,1,0,0|2,0,0]=4 1016 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 HR114264 [0,1,0,1,0,0|2,0,0]=4 1017 B13R2.328 FC1=CC(Br)=CC2=CC=CC=C12 HR106243 [0,1,0,1,0,0|2,0,0]=4 1018 B13R2.328 NC1=CC(=O)NC2=CC=CC=C12 HR147412 [0,1,0,1,0,0|1,0,0]=3 1019 B13R2.328 NC1=CC(Br)=NC2=CC=CC=C12 HR31907 [0,1,0,1,0,0|2,0,0]=4 1020 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 HR30343 [0,1,0,1,0,0|2,0,0]=4 1021 B13R2.328 NC1=NC2=CC=CC=C2C(Cl)=C1 HR32277 [0,1,0,1,0,0|2,0,0]=4 1022 B13R2.328 NC1=NC2=CC=CC=C2C(O)=C1 HR32273 [0,1,0,1,0,0|2,0,0]=4 1023 B13R2.328 O=C1C=C(Br)C2=CC=CC=C2N1 HR110574 [0,1,0,1,0,0|1,0,0]=3 1024 B13R2.328 O=C1C=C(O)C2=CC=CC=C2N1 HR130257 [0,1,0,1,0,0|1,0,0]=3 1025 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 TEJB02204 [0,1,0,1,0,0|0,0,0]=2 1026 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 HR110073 [0,1,0,1,0,0|2,0,0]=4 1027 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 HR108671 [0,1,0,1,0,0|2,0,0]=4 1028 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 HR115010 [0,1,0,1,0,0|1,0,0]=3 1029 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 HR136649 [0,1,0,1,0,0|2,0,0]=4 1030 B13R2.328 OC1=CC(Cl)=C2N=CC=CC2=C1 HR154932 [0,1,0,1,0,0|2,0,0]=4 1031 B13R2.328 OC1=CC(Cl)=NC2=CC=CC=C12 HR147272 [0,1,0,1,0,0|2,0,0]=4 1032 B13R2.328 OC1=CC(O)=NC2=CC=CC=C12 HR107416 [0,1,0,1,0,0|1,0,0]=3 1033 B13R2.328 OC1=CC2=CC=CC=C2C(O)=C1 HR105700 [0,1,0,1,0,0|1,0,0]=3 1034 B13R2.328 Oc1nc(O)c2ccccc2n1 HR126968 [0,1,0,1,0,0|2,0,0]=4 1035 B13R2.5179 BrC1=CC=C2C(Br)=CC=CC2=C1 HR120498 [0,1,0,1,0,0|2,0,0]=4 1036 B13R2.5179 CC1=CC=C2C(=O)C=CC=C2N1 HR140204 [0,1,0,1,0,0|2,0,0]=4 1037 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 HR33965 [0,1,0,1,0,0|2,0,0]=4 1038 B13R2.5179 CC1=NC2=C(C=C1)C(N)=CC=C2 HR142538 [0,1,0,1,0,0|2,0,0]=4 1039 B13R2.5179 CC1=NC2=CC=CC(Br)=C2C=C1 HR110424 [0,1,0,1,0,0|2,0,0]=4 1040 B13R2.5179 CC1=NC2=CC=CC(C)=C2C=C1 HR154937 [0,1,0,1,0,0|2,0,0]=4 1041 B13R2.5179 CC1=NC2=CC=CC(Cl)=C2C=C1 HR130454 [0,1,0,1,0,0|2,0,0]=4 1042 B13R2.5179 ClC1=NC2=CC=CC(Br)=C2C=C1 HR155086 [0,1,0,1,0,0|2,0,0]=4 1043 B13R2.5179 NC1=C2C=CC(O)=CC2=CC=C1 HR137051 [0,1,0,1,0,0|1,0,0]=3 1044 B13R2.5179 NC1=CC=CC2=CC(F)=CC=C12 HR34017 [0,1,0,1,0,0|2,0,0]=4 1045 B13R2.5179 NC1=NC2=CC=CC(Br)=C2C=C1 HR30342 [0,1,0,1,0,0|2,0,0]=4 1046 B13R2.5179 O=C1C=CC2=C(Br)C=CNC2=C1 HR155021 [0,1,0,1,0,0|2,0,0]=4 1047 B13R2.5179 O=C1C=CC2=C(Cl)C=CNC2=C1 HR104082 [0,1,0,1,0,0|2,0,0]=4 1048 B13R2.5179 O=C1C=COC2=CC(O)=CC=C12 HR110092 [0,1,0,1,0,0|2,0,0]=4 1049 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 HR137811 [0,1,0,1,0,0|1,0,0]=3 1050 B13R2.5179 OC1=CC=C2C(O)=CC=NC2=C1 HR139161 [0,1,0,1,0,0|2,0,0]=4 1051 B13R2.162 BrC1=CC=C2C=CC=C(Br)C2=C1 HR120175 [0,1,0,1,0,0|2,0,0]=4 1052 B13R2.162 CC1=C2N=C(Br)C=CC2=CC=C1 HR146443 [0,1,0,1,0,0|2,0,0]=4 1053 B13R2.162 CC1=C2N=C(Cl)C=CC2=CC=C1 HR146444 [0,1,0,1,0,0|2,0,0]=4 1054 B13R2.162 CC1=C2NC(=O)C=CC2=CC=C1 HR155040 [0,1,0,1,0,0|1,0,0]=3 1055 B13R2.162 CC1=CC=C2C=CC=C(C)C2=C1 HR141978 [0,1,0,1,0,0|2,0,0]=4 1056 B13R2.162 CC1=NC2=C(Br)C=CC=C2C=C1 HR144386 [0,1,0,1,0,0|2,0,0]=4 1057 B13R2.162 CC1=NC2=C(C)C=CC=C2C=C1 HR140425 [0,1,0,1,0,0|2,0,0]=4 1058 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 HR143417 [0,1,0,1,0,0|2,0,0]=4 1059 B13R2.162 CC1=NC2=C(N)C=CC=C2C=C1 HR128192 [0,1,0,1,0,0|2,0,0]=4 1060 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 HR127119 [0,1,0,1,0,0|2,0,0]=4 1061 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=C1 HR103144 [0,1,0,1,0,0|2,0,0]=4 1062 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2C=C1 HR105218 [0,1,0,1,0,0|2,0,0]=4 1063 B13R2.162 NC1=CC=CC2=CC=C(O)C=C12 HR137177 [0,1,0,1,0,0|1,0,0]=3 1064 B13R2.162 NC1=NC2=C(Br)C=CC=C2C=C1 HR32194 [0,1,0,1,0,0|2,0,0]=4 1065 B13R2.162 NC1=NC2=C(O)C=CC=C2C=C1 HR106530 [0,1,0,1,0,0|2,0,0]=4 1066 B13R2.162 O=C1C=CC2=C(O1)C(Br)=CC=C2 HR147884 [0,1,0,1,0,0|0,0,0]=2 1067 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2N1 HR30346 [0,1,0,1,0,0|1,0,0]=3 1068 B13R2.162 O=C1C=CC2=CC=CC(Cl)=C2N1 HR105534 [0,1,0,1,0,0|1,0,0]=3 1069 B13R2.162 O=C1C=CC2=CC=CC(F)=C2N1 HR155133 [0,1,0,1,0,0|1,0,0]=3 1070 B13R2.162 O=C1C=CC2=CN=CC(Br)=C2N1 HR104415 [0,1,0,1,0,0|2,0,0]=4 1071 B13R2.162 O=C1C=CNC2=CC=C(O)C=C12 HR114845 [0,1,0,1,0,0|2,0,0]=4 1072 B13R2.162 OC1=CC=C2C=CC=C(O)C2=C1 HR138902 [0,1,0,1,0,0|1,0,0]=3 1073 B13R2.162 OC1=CC=C2C=CN=C(Cl)C2=C1 HR33944 [0,1,0,1,0,0|2,0,0]=4 1074 B13R2.162 OC1=CC=C2N=CC=C(Cl)C2=C1 HR107997 [0,1,0,1,0,0|2,0,0]=4 1075 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 CRCQ00505 [0,1,0,1,0,0|1,0,0]=3 1076 B13R2.3683 BrC1=CC2=CC=C(I)C=C2C=C1 HR142929 [0,1,0,1,0,0|2,0,0]=4 1077 B13R2.3683 BrC1=CC=C2C=C(Br)C=CC2=C1 HR127703 [0,1,0,1,0,0|2,0,0]=4 1078 B13R2.3683 CC1=CC2=CC=C(O)C=C2C=N1 HR110546 [0,1,0,1,0,0|2,0,0]=4 1079 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=C1 HR32411 [0,1,0,1,0,0|1,0,0]=3 1080 B13R2.3683 CC1=CC=C2N=C(Br)C=CC2=C1 HR104197 [0,1,0,1,0,0|2,0,0]=4 1081 B13R2.3683 CC1=CC=C2N=C(C)C=CC2=C1 HR144113 [0,1,0,1,0,0|2,0,0]=4 1082 B13R2.3683 CC1=CC=C2N=C(Cl)C=CC2=C1 HR103885 [0,1,0,1,0,0|2,0,0]=4 1083 B13R2.3683 CC1=CC=C2NC(=O)C=CC2=C1 HR139923 [0,1,0,1,0,0|1,0,0]=3 1084 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 HR123410 [0,1,0,1,0,0|0,0,0]=2 1085 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 HR114765 [0,1,0,1,0,0|2,0,0]=4 1086 B13R2.3683 CC1=NC2=CC=C(Cl)C=C2C=C1 HR143897 [0,1,0,1,0,0|2,0,0]=4 1087 B13R2.3683 CC1=NC2=CC=C(F)C=C2C=C1 HR140525 [0,1,0,1,0,0|2,0,0]=4 1088 B13R2.3683 CC1=NC2=CC=C(N)C=C2C=C1 HR118053 [0,1,0,1,0,0|2,0,0]=4 1089 B13R2.3683 CC1=NC2=CC=C(O)C=C2C=C1 HR115825 [0,1,0,1,0,0|2,0,0]=4 1090 B13R2.3683 ClC1=CC=C2C=C(Br)C=CC2=C1 HR120629 [0,1,0,1,0,0|2,0,0]=4 1091 B13R2.3683 ClC1=CC=C2N=C(Br)C=CC2=C1 HR107086 [0,1,0,1,0,0|2,0,0]=4 1092 B13R2.3683 ClC1=CC=C2N=C(Cl)C=CC2=C1 HR117139 [0,1,0,1,0,0|2,0,0]=4 1093 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=C1 HR114721 [0,1,0,1,0,0|2,0,0]=4 1094 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=C1 HR125672 [0,1,0,1,0,0|2,0,0]=4 1095 B13R2.3683 NC1=CC2=CC=C(Br)C=C2C=C1 HR110536 [0,1,0,1,0,0|2,0,0]=4 1096 B13R2.3683 NC1=CC2=CC=C(F)C=C2C=C1 HR30263 [0,1,0,1,0,0|2,0,0]=4 1097 B13R2.3683 NC1=CC=C2NC(=O)C=CC2=C1 HR32208 [0,1,0,1,0,0|1,0,0]=3 1098 B13R2.3683 NC1=CC=C2NC(=O)C=NC2=C1 HR34014 [0,1,0,1,0,0|2,0,0]=4 1099 B13R2.3683 NC1=NC2=CC=C(Br)C=C2C=C1 HR145943 [0,1,0,1,0,0|2,0,0]=4 1100 B13R2.3683 NC1=NC2=CC=C(Cl)C=C2C=C1 HR117533 [0,1,0,1,0,0|2,0,0]=4 1101 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2N1 HR30347 [0,1,0,1,0,0|1,0,0]=3 1102 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2O1 HR148098 [0,1,0,1,0,0|0,0,0]=2 1103 B13R2.3683 O=C1C=CC2=CC(Cl)=CC=C2N1 HR139485 [0,1,0,1,0,0|1,0,0]=3 1104 B13R2.3683 O=C1C=CC2=CC(F)=CC=C2N1 HR155103 [0,1,0,1,0,0|1,0,0]=3 1105 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2N1 HR111351 [0,1,0,1,0,0|1,0,0]=3 1106 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2O1 HR135472 [0,1,0,1,0,0|0,0,0]=2 1107 B13R2.3683 O=C1C=NC2=CC(Br)=CC=C2N1 HR106706 [0,1,0,1,0,0|2,0,0]=4 1108 B13R2.3683 O=C1C=NC2=CC(F)=CC=C2N1 HR147750 [0,1,0,1,0,0|2,0,0]=4 1109 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 HR33657 [0,1,0,1,0,0|0,0,2]=4 1110 B13R2.3683 O=C1N=CC2=CC(Br)=CC=C2N1 HR131009 [0,1,0,1,0,0|2,0,0]=4 1111 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 HR137321 [0,1,0,1,0,0|1,0,0]=3 1112 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 HR30376 [0,1,0,1,0,0|1,0,0]=3 1113 B13R2.3683 OC1=CC2=CC=C(F)C=C2C=C1 HR30264 [0,1,0,1,0,0|1,0,0]=3 1114 B13R2.3683 OC1=CC=C2C=C(Br)C=NC2=C1 HR153396 [0,1,0,1,0,0|2,0,0]=4 1115 B13R2.3683 OC1=CC=C2C=C(O)C=CC2=C1 HR133350 [0,1,0,1,0,0|1,0,0]=3 1116 B13R2.3683 OC1=NC2=CC=C(Cl)C=C2N=C1 HR132413 [0,1,0,1,0,0|2,0,0]=4 1117 B13R2.3683 SC1=CC2=CC=C(Cl)C=C2C=C1 HR140306 [0,1,0,1,0,0|1,1,0]=4 1118 B13R2.3683 SC1=CC=C2C=C(S)C=CC2=C1 HR116040 [0,1,0,1,0,0|1,1,0]=4 1119 B9R1.12 O=C\C=C\C1=CC=CO1 HR124236 [1,0,0,0,1,0|1,0,0]=3 1120 B9R1.12 O=C\C=C\C1=CC=CO1 HR138531 [1,0,0,0,1,0|1,0,0]=3 1121 B9R1.6 CC(=O)C1=CC=CC=C1 HR133334 [0,0,0,0,2,0|1,0,0]=3 1122 B9R1.6 CC(=O)C1=CC=CN=C1 HR124857 [0,0,0,0,2,0|2,0,0]=4 1123 B9R1.6 CC(=O)C1=CC=NC=C1 HR122177 [0,0,0,0,2,0|2,0,0]=4 1124 B9R1.6 CC(=O)C1=NC=CC=C1 HR124589 [0,0,0,0,2,0|2,0,0]=4 1125 B9R1.6 CC(O)C1=CC=CC=C1 HR121274 [0,0,0,0,2,0|1,0,1]=4 1126 B9R1.6 CC(O)C1=CC=CC=C1 HR140945 [0,0,0,0,2,0|1,0,1]=4 1127 B9R1.6 CC(O)C1=CC=CC=C1 HR145171 [0,0,0,0,2,0|1,0,1]=4 1128 B9R1.6 N=C(N)C1=CC=CC=C1 HR137220 [0,0,0,0,2,0|2,0,0]=4 1129 B9R1.6 NC(=O)C1=CC=CC=C1 HR127325 [0,0,0,0,2,0|1,0,0]=3 1130 B9R1.6 NC(=O)C1=CC=CN=C1 HR135206 [0,0,0,0,2,0|2,0,0]=4 1131 B9R1.6 NC(=O)C1=CC=NC=C1 HR133425 [0,0,0,0,2,0|2,0,0]=4 1132 B9R1.6 NC(=O)C1=NC=CC=C1 HR138372 [0,0,0,0,2,0|2,0,0]=4 1133 B9R1.6 NC(=S)C1=CC=CC=C1 HR122245 [0,0,0,0,2,0|1,1,0]=4 1134 B9R1.6 O=C(Br)C1=CC=CC=C1 HR144111 [0,0,0,0,2,0|1,0,0]=3 1135 B9R1.6 O=C(Cl)C1=CC=CN=C1 HR140923 [0,0,0,0,2,0|2,0,0]=4 1136 B9R1.6 O=C(Cl)C1=CC=NC=C1 HR122948 [0,0,0,0,2,0|2,0,0]=4 1137 B9R1.6 O=C(Cl)C1=CN=CC=C1 HR130926 [0,0,0,0,2,0|2,0,0]=4 1138 B9R1.6 O=C(Cl)C1=NC=CC=C1 HR125180 [0,0,0,0,2,0|2,0,0]=4 1139 B9R1.6 O=C(O)C1=CC=CC=C1 HR137266 [0,0,0,0,2,0|0,0,0]=2 1140 B9R1.6 O=C(O)C1=CC=CN=N1 HR128841 [0,0,0,0,2,0|2,0,0]=4 1141 B9R1.6 O=C(O)C1=CC=NC=C1 HR135466 [0,0,0,0,2,0|1,0,0]=3 1142 B9R1.6 O=C(O)C1=CN=CC=C1 HR124368 [0,0,0,0,2,0|1,0,0]=3 1143 B9R1.6 O=C(O)C1=CN=CN=C1 HR134099 [0,0,0,0,2,0|2,0,0]=4 1144 B9R1.6 O=C(O)C1=CN=NC=C1 HR133810 [0,0,0,0,2,0|2,0,0]=4 1145 B9R1.6 O=C(O)C1=NC=CC=C1 DOXF02207 [0,0,0,0,2,0|1,0,0]=3 1146 B9R1.6 O=C(O)C1=NC=CC=N1 HR9603 [0,0,0,0,2,0|2,0,0]=4 1147 B9R1.6 O=C(O)C1=NC=CN=C1 HR124199 [0,0,0,0,2,0|2,0,0]=4 1148 B9R1.6 O=C(O)C1=NC=NC=C1 HR5297 [0,0,0,0,2,0|2,0,0]=4 1149 B9R1.6 O=C(O)c1ccccc1 HR133705 [0,0,0,0,2,0|0,0,0]=2 1150 B9R1.6 O=C([O-])C1=CC=CC=C1 HR105037 [0,0,0,0,2,0|0,0,1]=3 1151 B9R1.6 O=C([O-])C1=CC=CC=C1 HR110458 [0,0,0,0,2,0|0,0,1]=3 1152 B9R1.6 O=C([O-])C1=CC=CC=C1 HR135303 [0,0,0,0,2,0|0,0,1]=3 1153 B9R1.6 O=C([O-])C1=CC=CC=C1 HR135516 [0,0,0,0,2,0|0,0,1]=3 1154 B9R1.6 O=S(O)C1=CC=CC=C1 HR117415 [0,0,0,0,2,0|1,0,0]=3 1155 B9R1.6 O=S([O-])C1=CC=CC=C1 INSA03503 [0,0,0,0,2,0|1,0,1]=4 1156 B9R1.6 O=S([O-])c1ccccc1 HR100713 [0,0,0,0,2,0|1,0,1]=4 1157 B9R1.6 O=S([O-])c1ccccc1 HR132384 [0,0,0,0,2,0|1,0,1]=4 1158 B9R1.6 O=[PH](O)C1=CC=CC=C1 HR124788 [0,0,0,0,2,0|1,0,0]=3 1159 B9R1.6 O=[PH]([O-])C1=CC=CC=C1 HR125346 [0,0,0,0,2,0|1,0,1]=4 1160 B9R1.6 O=[Se](O)C1=CC=CC=C1 HR127583 [0,0,0,0,2,0|1,0,0]=3 1161 B9R1.6 OB(O)C1=CC=CC=C1 HR1753 [0,0,0,0,2,0|1,0,1]=4 1162 B9R1.6 OC(=S)C1=CC=CC=C1 HR123025 [0,0,0,0,2,0|0,1,0]=3 1163 B9R1.13 O=C(O)CC1=CC=CO1 HR17310 [0,0,0,0,2,0|1,0,1]=4 1164 B9R1.13 O=C(O)CC1=CC=CS1 HR125405 [0,0,0,0,2,0|1,0,1]=4 1165 B9R1.13 O=C(O)CC1=CSC=C1 HR143350 [0,0,0,0,2,0|1,0,1]=4 1166 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 HR133225 [0,0,0,0,0,2|1,0,0]=3 1167 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 HR126169 [0,0,0,0,0,2|0,0,2]=4 1168 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 HR136169 [0,0,0,0,0,2|0,0,2]=4 1169 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 HR33578 [0,0,0,0,0,2|0,0,2]=4 1170 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 HR120475 [0,0,0,0,0,2|0,0,2]=4 1171 B13R1.337 O=C(O)\C=C\C=C\C1=CC=CC=C1 HR101036 [0,0,0,0,0,2|0,0,0]=2 1172 B13R1.337 O=C(O)\C=C\C=C\c1ccccc1 HR126216 [0,0,0,0,0,2|0,0,0]=2