0 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.91 CC(=O)NCC1=CC=CN=C1 13219 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.91 CC(=O)NNC1=CC=CC=C1 7620 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.91 CC(=O)OCC1=CC=NC=C1 1302 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.91 CC(C)=NNC1=CC=CC=C1 19806 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.91 CC(N)CCC1=CC=CC=C1 21082 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.91 C[C@H](O)COC1=CC=CC=C1 15590 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.91 NC(=O)COC1=CC=CC=C1 12494 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.91 NC(=O)OCC1=CC=CC=C1 12421 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 11078 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 9173 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.91 O=C(Cl)COC1=CC=CC=C1 30326 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 12079 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 25891 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 36191 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.91 O=C(O)C#CC1=CC=CC=C1 13737 [0,0,0,0,0,0|1,0,1]=2 17 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [0,0,0,0,0,0|1,0,0]=1 18 B11R1.91 O=C(O)CCC1=CC=CN=C1 8701 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.91 O=C(O)COC1=CC=NC=C1 34778 [0,0,0,0,0,0|1,0,0]=1 20 B11R1.91 O=C(O)COC1=NC=CC=C1 18115 [0,0,0,0,0,0|1,0,0]=1 21 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 13612 [0,0,0,0,0,0|1,0,1]=2 22 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 16731 [0,0,0,0,0,0|2,0,1]=3 23 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3816 [0,0,0,0,0,0|2,0,1]=3 24 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 9807 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 8142 [0,0,0,0,0,0|1,0,2]=3 26 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 36133 [0,0,0,0,0,0|2,0,1]=3 27 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 34899 [0,0,0,0,0,0|2,0,2]=4 28 B11R1.91 OB(O)CCc1ccccc1 14049 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 33530 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.17 BrCCCC1=CC=CC=C1 3832 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.17 BrCCOC1=CC=CC=C1 3152 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.17 C#CCSC1=CC=CC=C1 15323 [1,0,0,0,0,0|1,1,1]=4 33 B10R1.17 C=CCOC1=CC=CC=C1 29359 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.17 C=COCC1=CC=CC=C1 36172 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.17 CCCCC1=CC=CC=C1 13571 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.17 ClCCOC1=CC=CC=C1 3167 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.17 ClCCSC1=CC=CC=C1 36163 [1,0,0,0,0,0|1,1,1]=4 38 B10R1.17 NCCOC1=CC=CC=C1 14773 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.17 NCCOC1=CC=CC=C1 15299 [1,0,0,0,0,0|1,0,1]=3 40 B10R1.17 NNCCC1=CC=CC=C1 16246 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.17 NNCOC1=CC=CN=C1 16450 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.17 O=C\C=C\C1=CC=CC=C1 24958 [1,0,0,0,0,0|1,0,1]=3 43 B10R1.17 OCC#CC1=CC=CC=C1 13580 [1,0,0,0,0,0|1,0,2]=4 44 B10R1.17 OCCCC1=CC=CC=C1 15023 [1,0,0,0,0,0|1,0,1]=3 45 B10R1.17 OCCCC1=CC=CN=C1 13083 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.17 OCCCC1=CC=NC=C1 13084 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.17 OCCCC1=NC=CC=C1 13082 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.17 OCCSC1=CC=CC=C1 10784 [1,0,0,0,0,0|0,1,1]=3 49 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 21102 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 8253 [0,1,0,0,0,0|1,0,1]=3 51 B12R1.21 Cc1ccc(CCC(=O)O)cc1 3031 [0,1,0,0,0,0|1,0,0]=2 52 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 16282 [0,1,0,0,0,0|0,0,0]=1 53 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=N1 28158 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 19769 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 12507 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 20127 [0,1,0,0,0,0|0,0,0]=1 57 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 3758 [0,1,0,0,0,0|1,0,1]=3 58 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 3630 [0,1,0,0,0,0|1,0,1]=3 59 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 3491 [0,1,0,0,0,0|1,0,1]=3 60 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 24323 [0,1,0,0,0,0|1,0,1]=3 61 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 8247 [0,1,0,0,0,0|1,0,1]=3 62 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 23442 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [0,1,0,0,0,0|1,0,0]=2 64 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [0,1,0,0,0,0|0,0,0]=1 65 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [0,1,0,0,0,0|0,1,0]=2 66 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 8189 [0,1,0,0,0,0|1,0,1]=3 67 B12R1.27 NCC(=O)OCC1=CC=CC=C1 11141 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.27 NNC(=O)OCC1=CC=CC=C1 13705 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 7461 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 12461 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 22780 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.27 O=C(NO)OCC1=CC=CC=C1 22874 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.43 CC(CC1=CC=CC=C1)[N+](=O)[O-] 35813 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 16952 [0,1,0,0,0,0|1,0,0]=2 75 B12R1.43 C[C@@H](NC1=NC=CC=C1)C(=O)O 5694 [0,1,0,0,0,0|2,0,0]=3 76 B12R1.43 C[C@H](NC1=NC=CN=C1)C(=O)O 17990 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 8190 [0,1,0,0,0,0|1,0,1]=3 78 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 20603 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19011 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.43 NC(CC1=CC=CC=C1)B(O)O 33620 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 2375 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O 21965 [0,1,0,0,0,0|2,0,0]=3 83 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O 33651 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O 33652 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 11004 [0,1,0,0,0,0|1,0,0]=2 86 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 18595 [0,1,0,0,0,0|1,0,0]=2 87 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 20966 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 24900 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 20967 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O 5696 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 10975 [0,1,0,0,0,0|1,0,0]=2 92 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O 15910 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O 29810 [0,1,0,0,0,0|2,0,0]=3 94 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 10725 [0,1,0,0,0,0|1,0,0]=2 95 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 6413 [0,1,0,0,0,0|1,0,0]=2 96 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 6414 [0,1,0,0,0,0|1,0,0]=2 97 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 16697 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.107 CC(=O)CC(=O)C1=NC=CC=C1 35878 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 25350 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.107 CC(=O)NC(C)c1ccccc1 28161 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 19303 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 13889 [0,1,0,0,0,0|1,0,0]=2 103 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 13900 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 17293 [0,1,0,0,0,0|1,0,0]=2 105 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 15111 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 15101 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 15116 [0,1,0,0,0,0|2,0,0]=3 108 B12R1.107 N[C@@H](CC(=O)O)c1ccccc1 5926 [0,1,0,0,0,0|1,0,0]=2 109 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 14014 [0,1,0,0,0,0|1,0,0]=2 110 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 5925 [0,1,0,0,0,0|1,0,0]=2 111 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 15114 [0,1,0,0,0,0|2,0,0]=3 112 B12R1.107 N[C@H](CC(=O)O)C1=CC=NC=C1 15103 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.107 N[C@H](CC(=O)O)C1=NC=CC=C1 15113 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 10700 [0,1,0,0,0,0|2,0,1]=4 115 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 13910 [0,1,0,0,0,0|1,0,0]=2 116 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 31589 [0,1,0,0,0,0|1,0,0]=2 117 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 8211 [0,1,0,0,0,0|1,0,1]=3 118 B12R1.125 NC1=C(\C=C\C(=O)O)C=NC=C1 18315 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 15787 [0,1,0,0,0,0|1,0,0]=2 120 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 19768 [0,1,0,0,0,0|1,0,0]=2 121 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 13945 [0,1,0,0,0,0|1,0,0]=2 122 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 19212 [0,1,0,0,0,0|0,0,0]=1 123 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 3756 [0,1,0,0,0,0|1,0,1]=3 124 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 3628 [0,1,0,0,0,0|1,0,1]=3 125 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 3488 [0,1,0,0,0,0|1,0,1]=3 126 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 8214 [0,1,0,0,0,0|1,0,1]=3 127 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 25873 [0,1,0,0,0,0|1,0,0]=2 128 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 25814 [0,1,0,0,0,0|1,0,0]=2 129 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 13947 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 26050 [0,1,0,0,0,0|1,0,0]=2 131 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 19211 [0,1,0,0,0,0|0,0,0]=1 132 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 3757 [0,1,0,0,0,0|1,0,1]=3 133 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 3629 [0,1,0,0,0,0|1,0,1]=3 134 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 3489 [0,1,0,0,0,0|1,0,1]=3 135 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 4346 [0,1,0,0,0,0|1,0,1]=3 136 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 8222 [0,1,0,0,0,0|1,0,1]=3 137 B12R1.891 F[B-](F)(F)COC1=CC=CC=C1 11600 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 31402 [0,1,0,0,0,0|2,0,1]=4 139 B12R2.24 O=C1C=CC2=CC=CC=C2O1 21620 [0,0,0,1,0,0|1,0,1]=3 140 B12R2.24 O=C1CC2=CC=CC=C2CO1 22155 [0,0,0,1,0,0|3,0,0]=4 141 B12R2.24 O=C1CCC2=CC=CC=C2C1 17934 [0,0,0,1,0,0|2,0,0]=3 142 B12R2.24 O=C1COC2=C(C=CC=C2)N1 18791 [0,0,0,1,0,0|1,0,0]=2 143 B12R2.24 O=C1COC2=CC=CC=C2C1 9704 [0,0,0,1,0,0|1,0,0]=2 144 B12R2.24 OC1=CC2=CC=CC=C2N=C1 12770 [0,0,0,1,0,0|2,0,1]=4 145 B12R2.24 OC1=NC2=CC=CC=C2N=C1 15472 [0,0,0,1,0,0|2,0,1]=4 146 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 14082 [0,0,0,1,0,0|1,0,1]=3 147 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 14080 [0,0,0,1,0,0|1,0,1]=3 148 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [0,0,0,0,1,0|2,0,0]=3 149 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [0,0,0,0,1,0|2,0,0]=3 150 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [0,0,0,0,1,0|1,1,0]=3 151 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [0,0,0,0,1,0|2,0,1]=4 152 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [0,0,0,0,1,0|1,0,1]=3 153 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [0,0,0,0,1,0|2,1,0]=4 154 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [0,0,0,0,1,0|1,0,0]=2 155 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [0,0,0,0,1,0|1,0,0]=2 156 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [0,0,0,0,1,0|1,0,0]=2 157 B10R1.18 O=C(O)CC1=CN=CN=C1 13279 [0,0,0,0,1,0|2,0,0]=3 158 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [0,0,0,0,1,0|1,0,0]=2 159 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [0,0,0,0,1,0|0,0,1]=2 160 B10R1.18 O=C([O-])CC1=NC=CC=N1 13283 [0,0,0,0,1,0|2,0,1]=4 161 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [0,0,0,0,1,0|1,0,1]=3 162 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [0,0,0,0,1,0|1,0,1]=3 163 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [0,0,0,0,1,0|0,1,0]=2 164 B10R1.66 O=C(O)CCc1cccs1 23928 [0,0,0,0,1,0|2,0,0]=3 165 B10R1.66 O=C(O)\C=C\C1=CC=CO1 6950 [0,0,0,0,1,0|2,0,1]=4 166 B10R1.66 O=C(O)\C=C\C1=CC=CS1 22898 [0,0,0,0,1,0|2,0,1]=4 167 B12R1.252 CC(=O)CCCC1=CC=CC=C1 23541 [0,0,0,0,0,1|2,0,0]=3 168 B12R1.252 CC(=O)COCC1=CC=CC=C1 16411 [0,0,0,0,0,1|1,0,0]=2 169 B12R1.252 CC(=O)NCCC1=CC=CC=C1 18566 [0,0,0,0,0,1|2,0,0]=3 170 B12R1.252 NC(=O)NOCC1=CC=CC=C1 19804 [0,0,0,0,0,1|2,0,0]=3 171 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 14437 [0,0,0,0,0,1|1,0,0]=2 172 B12R1.252 O=C(O)CCSC1=CC=CC=C1 19766 [0,0,0,0,0,1|0,1,0]=2 173 B12R1.252 O=C(O)CNCC1=CC=CC=C1 23196 [0,0,0,0,0,1|1,0,0]=2 174 B12R1.252 O=C(O)COCC1=CC=CC=C1 28933 [0,0,0,0,0,1|0,0,0]=1 175 B12R1.252 O=C(O)CSCC1=CC=CC=C1 25337 [0,0,0,0,0,1|0,1,0]=2 176 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.8 C=CCC1=CC=CC=C1 29358 [2,0,0,0,0,0|1,0,0]=3 178 B9R1.8 C=CSC1=CC=CC=C1 10778 [2,0,0,0,0,0|0,1,1]=4 179 B9R1.8 CCCC1=CC=CC=C1 10852 [2,0,0,0,0,0|1,0,1]=4 180 B9R1.8 CCOC1=CC=NC=C1 1125 [2,0,0,0,0,0|1,0,1]=4 181 B9R1.8 CCOC1=NC=CC=C1 1126 [2,0,0,0,0,0|1,0,1]=4 182 B9R1.8 CCSC1=CC=CC=C1 10773 [2,0,0,0,0,0|0,1,1]=4 183 B9R1.8 CNCC1=CC=CC=C1 19910 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.8 CNCC1=CC=CC=C1 25218 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.8 CNCC1=CC=CC=C1 5801 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.8 COCC1=CC=CC=C1 15300 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.8 ClCCC1=CC=CC=C1 26674 [2,0,0,0,0,0|1,0,1]=4 188 B9R1.8 ClCSC1=CC=CC=C1 10735 [2,0,0,0,0,0|1,1,0]=4 189 B9R1.8 NCCc1ccccc1 21077 [2,0,0,0,0,0|1,0,1]=4 190 B9R1.8 NNCC1=CC=CC=C1 29056 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.8 NOCC1=CC=CC=C1 24804 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.8 NOCC1=CC=CC=C1 7095 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.8 OCCC1=NC=CC=C1 2593 [2,0,0,0,0,0|1,0,1]=4 194 B9R1.8 ONCC1=CC=CC=C1 25520 [2,0,0,0,0,0|1,0,0]=3 195 B11R1.1 C#CCOC1=CC=C(N)C=C1 22969 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.1 CCCOC1=CC=C(O)C=C1 13204 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.1 COCOC1=CC=C(C)C=C1 15106 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.1 ClC1=CC=C(OCCBr)C=C1 17076 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.1 FC1=CC=C(OCCBr)C=C1 15003 [1,1,0,0,0,0|1,0,1]=4 200 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 15005 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.1 NC1=CC=C(NCCO)C=C1 20871 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.1 NCCOC1=CC=C(F)C=C1 13107 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.1 O=CCCC1=CC=C(F)C=C1 31590 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.1 O=CCCC1=CC=C(O)C=C1 13990 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 11046 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.1 OCCCC1=CC=C(Br)C=C1 3984 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.1 OCCCC1=CC=C(Cl)C=C1 9806 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.1 OCCCC1=CC=C(O)C=C1 25607 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.16 NC(CCO)C1=CC=CC=C1 13908 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 13854 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 13853 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 16121 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.17 CCCOC1=C(O)C=CC=C1 13203 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.17 FC1=C(OCCBr)C=CC=C1 16330 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.17 NCCOC1=C(F)C=CC=C1 19159 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 24068 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.17 O=CCCC1=C(F)C=CC=C1 31588 [1,1,0,0,0,0|1,0,0]=3 218 B11R1.24 ClC1=CC=CC(OCCBr)=C1 27485 [1,1,0,0,0,0|1,0,1]=4 219 B11R1.24 NCCOC1=CC(F)=CC=C1 19158 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.24 OCCCC1=CC(Cl)=CC=C1 3101 [1,1,0,0,0,0|1,0,1]=4 221 B11R1.28 BrCCCOC1=CC=CC=C1 3826 [1,1,0,0,0,0|1,0,1]=4 222 B11R1.28 CCCCOC1=CC=CC=C1 12529 [1,1,0,0,0,0|1,0,1]=4 223 B11R1.28 O=C=NCCC1=CC=CC=C1 12396 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.28 OCCCCC1=CC=CC=C1 3100 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.28 OCCNCC1=CC=CC=C1 12960 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.28 OCCOCC1=CC=CC=C1 1939 [1,1,0,0,0,0|0,0,1]=3 227 B11R1.28 OCCSCC1=CC=CC=C1 10801 [1,1,0,0,0,0|0,1,1]=4 228 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [0,1,0,0,1,0|1,0,0]=3 232 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [0,1,0,0,1,0|1,0,0]=3 233 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [0,1,0,0,1,0|1,0,0]=3 234 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [0,1,0,0,1,0|1,0,0]=3 235 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [0,1,0,0,1,0|2,0,0]=4 236 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 26262 [0,1,0,0,1,0|2,0,0]=4 237 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 3293 [0,1,0,0,1,0|2,0,0]=4 238 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 17726 [0,1,0,0,1,0|2,0,0]=4 239 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 6832 [0,1,0,0,1,0|2,0,0]=4 240 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 3061 [0,1,0,0,1,0|1,0,0]=3 241 B11R1.20 CC1=CC=C(CC(O)=S)C=C1 10789 [0,1,0,0,1,0|0,1,0]=3 242 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 17532 [0,1,0,0,1,0|1,0,0]=3 243 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 25031 [0,1,0,0,1,0|1,0,0]=3 244 B11R1.20 NC1=CN=C(CC(=O)O)C=C1 32286 [0,1,0,0,1,0|1,0,0]=3 245 B11R1.20 Nc1ccc(CC(=O)O)cc1 22147 [0,1,0,0,1,0|0,0,0]=2 246 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 44721 [0,1,0,0,1,0|1,0,0]=3 247 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 17517 [0,1,0,0,1,0|1,0,0]=3 248 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 4246 [0,1,0,0,1,0|0,0,0]=2 249 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 4250 [0,1,0,0,1,0|0,0,0]=2 250 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 13909 [0,1,0,0,1,0|1,0,0]=3 251 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 13432 [0,1,0,0,1,0|0,0,0]=2 252 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 19614 [0,1,0,0,1,0|0,0,0]=2 253 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 18835 [0,1,0,0,1,0|0,0,0]=2 254 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 22193 [0,1,0,0,1,0|0,0,0]=2 255 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 34915 [0,1,0,0,1,0|0,0,0]=2 256 B11R1.20 O=C([O-])[ClH]C1=CC=C(Br)C=C1 28974 [0,1,0,0,1,0|1,0,1]=4 257 B11R1.20 O=C([O-])[ClH]C1=CC=C(F)C=C1 28972 [0,1,0,0,1,0|1,0,1]=4 258 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 35902 [0,1,0,0,1,0|0,0,1]=3 259 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 21081 [0,1,0,0,1,0|0,0,0]=2 260 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 6079 [0,1,0,0,1,0|0,0,0]=2 261 B11R1.36 C[C@H](C(=O)O)c1ccccc1 6862 [0,1,0,0,1,0|0,0,0]=2 262 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [0,1,0,0,1,0|1,0,0]=3 263 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [0,1,0,0,1,0|1,0,0]=3 264 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 16811 [0,1,0,0,1,0|0,0,0]=2 265 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 11005 [0,1,0,0,1,0|0,0,0]=2 266 B11R1.36 N[C@H](C(=O)O)c1ccccc1 23858 [0,1,0,0,1,0|0,0,0]=2 267 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [0,1,0,0,1,0|0,0,0]=2 268 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [0,1,0,0,1,0|0,0,0]=2 269 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [0,1,0,0,1,0|0,0,0]=2 270 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 23388 [0,1,0,0,1,0|1,0,0]=3 271 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 28140 [0,1,0,0,1,0|1,0,0]=3 272 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 28149 [0,1,0,0,1,0|1,0,0]=3 273 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 3830 [0,1,0,0,1,0|2,0,0]=4 274 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 3055 [0,1,0,0,1,0|1,0,0]=3 275 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 3059 [0,1,0,0,1,0|1,0,0]=3 276 B11R1.86 CC(=O)OC1=C(I)C=CC=C1 3062 [0,1,0,0,1,0|1,0,0]=3 277 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 20124 [0,1,0,0,1,0|0,0,0]=2 278 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 17571 [0,1,0,0,1,0|1,0,0]=3 279 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 7214 [0,1,0,0,1,0|0,0,0]=2 280 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 16509 [0,1,0,0,1,0|0,0,0]=2 281 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 4164 [0,1,0,0,1,0|0,0,0]=2 282 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 2552 [0,1,0,0,1,0|0,0,0]=2 283 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20030 [0,1,0,0,1,0|0,0,0]=2 284 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 25423 [0,1,0,0,1,0|1,0,0]=3 285 B11R1.157 CC(=O)CC1=CC(Cl)=CC=C1 19805 [0,1,0,0,1,0|1,0,0]=3 286 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 35854 [0,1,0,0,1,0|1,0,0]=3 287 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 3340 [0,1,0,0,1,0|2,0,0]=4 288 B11R1.157 CC(=O)NC1=CC(I)=CC=C1 3291 [0,1,0,0,1,0|2,0,0]=4 289 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 3835 [0,1,0,0,1,0|2,0,0]=4 290 B11R1.157 CC(=O)OC1=CC(Cl)=CC=C1 3057 [0,1,0,0,1,0|1,0,0]=3 291 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 3060 [0,1,0,0,1,0|1,0,0]=3 292 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 28872 [0,1,0,0,1,0|0,0,0]=2 293 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 1961 [0,1,0,0,1,0|0,0,0]=2 294 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 4244 [0,1,0,0,1,0|0,0,0]=2 295 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 16510 [0,1,0,0,1,0|0,0,0]=2 296 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 4167 [0,1,0,0,1,0|0,0,0]=2 297 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 4195 [0,1,0,0,1,0|0,0,0]=2 298 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 21773 [0,1,0,0,1,0|0,0,0]=2 299 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 10753 [0,1,0,0,1,0|1,0,1]=4 300 B11R1.509 O=P(Cl)(Cl)OC1=CC=CC=C1 14039 [0,1,0,0,1,0|2,0,0]=4 301 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 5036 [0,1,0,0,1,0|1,0,1]=4 302 B11R1.25 COC(=O)CCC1=CC=CS1 16785 [0,1,0,0,1,0|2,0,0]=4 303 B11R1.35 C[C@@H](NC1=CC=CO1)C(=O)O 29837 [0,1,0,0,1,0|2,0,0]=4 304 B11R1.35 C[C@H](NC1=CC=CO1)C(=O)O 29836 [0,1,0,0,1,0|2,0,0]=4 305 B11R1.35 NC(CC1=CC=CS1)C(=O)O 34969 [0,1,0,0,1,0|2,0,0]=4 306 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O 18715 [0,1,0,0,1,0|2,0,0]=4 307 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O 29873 [0,1,0,0,1,0|2,0,0]=4 308 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O 18712 [0,1,0,0,1,0|2,0,0]=4 309 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O 29874 [0,1,0,0,1,0|2,0,0]=4 310 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 28194 [0,1,0,0,0,1|1,0,0]=3 311 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 14914 [0,1,0,0,0,1|1,0,0]=3 312 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 15341 [0,1,0,0,0,1|0,1,0]=3 313 B13R1.149 CC1=CC=CC(OCCC(=O)O)=C1 19231 [0,1,0,0,0,1|0,0,0]=2 314 B13R1.149 O=C(O)CCCC1=CC(Br)=CC=C1 17542 [0,1,0,0,0,1|1,0,0]=3 315 B13R1.149 O=C(O)CCNC1=CC(F)=CC=C1 13942 [0,1,0,0,0,1|1,0,0]=3 316 B13R1.149 O=C(O)CCOC1=CC(Cl)=CC=C1 19224 [0,1,0,0,0,1|0,0,0]=2 317 B13R1.149 O=C(O)CCOC1=CC(F)=CC=C1 19219 [0,1,0,0,0,1|0,0,0]=2 318 B13R1.158 CC1=C(OCCC(=O)O)C=CC=C1 19232 [0,1,0,0,0,1|0,0,0]=2 319 B13R1.158 NC1=C(OCCC(=O)O)C=CC=C1 16177 [0,1,0,0,0,1|0,0,0]=2 320 B13R1.158 NC1=C(SCCC(=O)O)C=CC=C1 16183 [0,1,0,0,0,1|0,1,0]=3 321 B13R1.158 O=C(O)CCCC1=C(Br)C=CC=C1 16180 [0,1,0,0,0,1|1,0,0]=3 322 B13R1.158 O=C(O)CCOC1=C(Cl)C=CC=C1 19226 [0,1,0,0,0,1|0,0,0]=2 323 B13R1.158 O=C(O)CCOC1=C(F)C=CC=C1 18860 [0,1,0,0,0,1|0,0,0]=2 324 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 35734 [0,1,0,0,0,1|2,0,0]=4 325 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24324 [0,1,0,0,0,1|1,0,0]=3 326 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 13855 [0,1,0,0,0,1|1,0,0]=3 327 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 25817 [0,1,0,0,0,1|1,0,0]=3 328 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O 36485 [0,1,0,0,0,1|0,0,0]=2 329 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O 11932 [0,1,0,0,0,1|1,0,0]=3 330 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O 19031 [0,1,0,0,0,1|0,1,0]=3 331 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O 11884 [0,1,0,0,0,1|1,0,0]=3 332 B13R1.351 N[C@H](CCc1ccccc1)C(=O)O 30241 [0,1,0,0,0,1|1,0,0]=3 333 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 18755 [0,1,0,0,0,1|1,0,0]=3 334 B13R1.351 O=C(O)[C@H](O)CCc1ccccc1 5687 [0,1,0,0,0,1|1,0,0]=3 335 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 16174 [0,1,0,0,0,1|1,0,0]=3 336 B13R1.3523 O=S(=O)(Cl)CCOC1=CC=CC=C1 5688 [0,1,0,0,0,1|1,0,1]=4 337 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 8251 [0,2,0,0,0,0|1,0,0]=3 338 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 35169 [0,2,0,0,0,0|1,0,1]=4 339 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 8248 [0,2,0,0,0,0|1,0,1]=4 340 B13R1.3 CSC1=CC=C(OCC(=O)O)C=C1 19218 [0,2,0,0,0,0|0,0,0]=2 341 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 18108 [0,2,0,0,0,0|1,0,0]=3 342 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 19213 [0,2,0,0,0,0|0,0,0]=2 343 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 11987 [0,2,0,0,0,0|0,0,0]=2 344 B13R1.3 O=CC1=CC=C(CCC(=O)O)C=C1 27618 [0,2,0,0,0,0|1,0,0]=3 345 B13R1.3 O=CC1=CC=C(\C=C\C(=O)O)C=C1 8244 [0,2,0,0,0,0|1,0,1]=4 346 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 28884 [0,2,0,0,0,0|1,0,0]=3 347 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 31615 [0,2,0,0,0,0|0,0,0]=2 348 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 8193 [0,2,0,0,0,0|1,0,1]=4 349 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 3126 [0,2,0,0,0,0|1,0,1]=4 350 B13R1.132 CC1=CC=C(C(N)CC(=O)O)C=C1 13897 [0,2,0,0,0,0|1,0,0]=3 351 B13R1.132 CC1=CC=C([C@@H](N)CC(=O)O)C=C1 24070 [0,2,0,0,0,0|1,0,0]=3 352 B13R1.132 CC1=CC=C([C@H](N)CC(=O)O)C=C1 14199 [0,2,0,0,0,0|1,0,0]=3 353 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 14764 [0,2,0,0,0,0|1,0,0]=3 354 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 13896 [0,2,0,0,0,0|1,0,0]=3 355 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 17337 [0,2,0,0,0,0|1,0,0]=3 356 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 17328 [0,2,0,0,0,0|1,0,0]=3 357 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 17305 [0,2,0,0,0,0|1,0,0]=3 358 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 24048 [0,2,0,0,0,0|1,0,0]=3 359 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Br)C=C1 20482 [0,2,0,0,0,0|1,0,0]=3 360 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 14200 [0,2,0,0,0,0|1,0,0]=3 361 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(F)C=C1 17300 [0,2,0,0,0,0|1,0,0]=3 362 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(O)C=C1 13971 [0,2,0,0,0,0|1,0,0]=3 363 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(O)C=C1 24046 [0,2,0,0,0,0|1,0,0]=3 364 B13R1.133 CC(NC1=CC=C(Br)C=C1)C(=O)O 35889 [0,2,0,0,0,0|1,0,0]=3 365 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29803 [0,2,0,0,0,0|1,0,0]=3 366 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 29802 [0,2,0,0,0,0|1,0,0]=3 367 B13R1.133 C[C@@H](Oc1ccc(O)cc1)C(=O)O 13613 [0,2,0,0,0,0|0,0,0]=2 368 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 14882 [0,2,0,0,0,0|1,0,0]=3 369 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O 14881 [0,2,0,0,0,0|1,0,0]=3 370 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O 19059 [0,2,0,0,0,0|1,0,0]=3 371 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29898 [0,2,0,0,0,0|1,0,0]=3 372 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 12019 [0,2,0,0,0,0|1,0,0]=3 373 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 13161 [0,2,0,0,0,0|1,0,0]=3 374 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 18012 [0,2,0,0,0,0|1,0,0]=3 375 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 17995 [0,2,0,0,0,0|1,0,0]=3 376 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 23297 [0,2,0,0,0,0|1,0,0]=3 377 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17502 [0,2,0,0,0,0|1,0,0]=3 378 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17965 [0,2,0,0,0,0|1,0,0]=3 379 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 12040 [0,2,0,0,0,0|1,0,0]=3 380 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 14347 [0,2,0,0,0,0|1,0,0]=3 381 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)[O-] 35571 [0,2,0,0,0,0|1,0,1]=4 382 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 18011 [0,2,0,0,0,0|1,0,0]=3 383 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 23285 [0,2,0,0,0,0|1,0,0]=3 384 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 12305 [0,2,0,0,0,0|1,0,0]=3 385 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 23298 [0,2,0,0,0,0|1,0,0]=3 386 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O 12021 [0,2,0,0,0,0|1,0,0]=3 387 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O 18647 [0,2,0,0,0,0|1,0,0]=3 388 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 13030 [0,2,0,0,0,0|1,0,0]=3 389 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(F)C=C1 19256 [0,2,0,0,0,0|1,0,0]=3 390 B13R1.164 O=C(O)COC1=C(Cl)C=C(Cl)C=C1 22239 [0,2,0,0,0,0|0,0,0]=2 391 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Br)C=C1 27529 [0,2,0,0,0,0|1,0,1]=4 392 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(F)C=C1 3429 [0,2,0,0,0,0|1,0,1]=4 393 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(Br)C=C1 3229 [0,2,0,0,0,0|1,0,1]=4 394 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(Cl)C=C1 3431 [0,2,0,0,0,0|1,0,1]=4 395 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(F)C=C1 26647 [0,2,0,0,0,0|1,0,1]=4 396 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(F)C=C1 4333 [0,2,0,0,0,0|1,0,1]=4 397 B13R1.511 CC1=C(C)C=C(CCC(=O)Cl)C=C1 25725 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.511 CC1=C(C)C=C(CCC(=O)O)C=C1 25724 [0,2,0,0,0,0|1,0,0]=3 399 B13R1.511 NC1=C(Br)C=CC(CCC(=O)O)=C1 22866 [0,2,0,0,0,0|1,0,0]=3 400 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 35050 [0,2,0,0,0,0|1,0,0]=3 401 B13R1.511 O=C(O)\C=C\C1=CC(Br)=C(F)C=C1 3228 [0,2,0,0,0,0|1,0,1]=4 402 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(Cl)C=C1 8259 [0,2,0,0,0,0|1,0,1]=4 403 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(F)C=C1 4071 [0,2,0,0,0,0|1,0,1]=4 404 B13R1.511 O=C(O)\C=C\C1=CC(F)=C(F)C=C1 3107 [0,2,0,0,0,0|1,0,1]=4 405 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 8262 [0,2,0,0,0,0|1,0,1]=4 406 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 22930 [0,2,0,0,0,0|1,0,0]=3 407 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 35755 [0,2,0,0,0,0|1,0,0]=3 408 B13R1.15 COC(=O)CCC1=CC(Br)=CC=C1 28883 [0,2,0,0,0,0|1,0,0]=3 409 B13R1.15 COC(=O)\C=C\c1cccc(Br)c1 27528 [0,2,0,0,0,0|1,0,1]=4 410 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 29017 [0,2,0,0,0,0|1,0,0]=3 411 B13R1.42 CCOC(=O)COC1=CC=CC=C1 12485 [0,2,0,0,0,0|0,0,0]=2 412 B13R1.42 CCOC(=O)COC1=CC=CN=C1 16756 [0,2,0,0,0,0|1,0,0]=3 413 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 10853 [0,2,0,0,0,0|0,1,0]=3 414 B13R1.135 COC(=O)C(O)Cc1ccccc1 23902 [0,2,0,0,0,0|1,0,0]=3 415 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 10882 [0,2,0,0,0,0|1,0,0]=3 416 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 6055 [0,2,0,0,0,0|1,0,0]=3 417 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 10883 [0,2,0,0,0,0|1,0,0]=3 418 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 14742 [0,2,0,0,0,0|1,0,0]=3 419 B13R1.135 N[C@H](Cc1ccccc1)C(=O)CCl 11515 [0,2,0,0,0,0|2,0,0]=4 420 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 28882 [0,2,0,0,0,0|1,0,0]=3 421 B13R1.148 CC(OC1=CC(Cl)=CC=C1)C(=O)O 27495 [0,2,0,0,0,0|0,0,0]=2 422 B13R1.148 CC1=CC(C[C@@H](N)C(=O)O)=CC=C1 18697 [0,2,0,0,0,0|1,0,0]=3 423 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CC=C1 18698 [0,2,0,0,0,0|1,0,0]=3 424 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O 19382 [0,2,0,0,0,0|1,0,0]=3 425 B13R1.148 NC1=CC=CC(C[C@@H](N)C(=O)O)=C1 30184 [0,2,0,0,0,0|1,0,0]=3 426 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 30186 [0,2,0,0,0,0|1,0,0]=3 427 B13R1.148 N[C@@H](CC1=CC(Br)=CC=C1)C(=O)O 18010 [0,2,0,0,0,0|1,0,0]=3 428 B13R1.148 N[C@@H](CC1=CC(Br)=CC=C1)C(=O)O 18643 [0,2,0,0,0,0|1,0,0]=3 429 B13R1.148 N[C@@H](CC1=CC(Cl)=CC=C1)C(=O)O 11978 [0,2,0,0,0,0|1,0,0]=3 430 B13R1.148 N[C@@H](CC1=CC(Cl)=CC=C1)C(=O)O 17992 [0,2,0,0,0,0|1,0,0]=3 431 B13R1.148 N[C@@H](CC1=CC(F)=CC=C1)C(=O)O 17964 [0,2,0,0,0,0|1,0,0]=3 432 B13R1.148 N[C@H](CC1=CC(Br)=CC=C1)C(=O)O 18009 [0,2,0,0,0,0|1,0,0]=3 433 B13R1.148 N[C@H](CC1=CC(Br)=CC=C1)C(=O)O 24700 [0,2,0,0,0,0|1,0,0]=3 434 B13R1.148 N[C@H](CC1=CC(Cl)=CC=C1)C(=O)O 11977 [0,2,0,0,0,0|1,0,0]=3 435 B13R1.148 N[C@H](CC1=CC(F)=CC=C1)C(=O)O 17963 [0,2,0,0,0,0|1,0,0]=3 436 B13R1.152 CC(=O)C(C)C(=O)C1=CC=CC=C1 25323 [0,2,0,0,0,0|2,0,0]=4 437 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O 24507 [0,2,0,0,0,0|1,0,0]=3 438 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O 9698 [0,2,0,0,0,0|1,0,0]=3 439 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@H](O)C(=O)O 24501 [0,2,0,0,0,0|1,0,0]=3 440 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O 24505 [0,2,0,0,0,0|1,0,0]=3 441 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O 24504 [0,2,0,0,0,0|1,0,0]=3 442 B13R1.202 CC1=C(C[C@@H](N)C(=O)O)C=CC=C1 29793 [0,2,0,0,0,0|1,0,0]=3 443 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 29792 [0,2,0,0,0,0|1,0,0]=3 444 B13R1.202 NC1=C(C[C@@H](N)C(=O)O)C=CC=C1 30192 [0,2,0,0,0,0|1,0,0]=3 445 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O 18007 [0,2,0,0,0,0|1,0,0]=3 446 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O 11960 [0,2,0,0,0,0|1,0,0]=3 447 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O 29772 [0,2,0,0,0,0|1,0,0]=3 448 B13R1.202 N[C@H](CC1=C(Br)C=CC=C1)C(=O)O 17997 [0,2,0,0,0,0|1,0,0]=3 449 B13R1.202 N[C@H](CC1=C(Cl)C=CC=C1)C(=O)O 11958 [0,2,0,0,0,0|1,0,0]=3 450 B13R1.202 N[C@H](CC1=C(Cl)C=CC=C1)C(=O)O 17991 [0,2,0,0,0,0|1,0,0]=3 451 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O 23304 [0,2,0,0,0,0|1,0,0]=3 452 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O 29773 [0,2,0,0,0,0|1,0,0]=3 453 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O 22317 [0,2,0,0,0,0|1,0,0]=3 454 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O 35209 [0,2,0,0,0,0|0,0,0]=2 455 B13R1.1073 C[C@@](N)(Cc1ccccc1)C(=O)O 29931 [0,2,0,0,0,0|1,0,0]=3 456 B13R1.1073 C[C@](N)(Cc1ccccc1)C(=O)O 29930 [0,2,0,0,0,0|1,0,0]=3 457 B13R1.147 CC1=CC=CC([C@@H](N)CC(=O)O)=C1 29987 [0,2,0,0,0,0|1,0,0]=3 458 B13R1.147 CC1=CC=CC([C@H](N)CC(=O)O)=C1 30024 [0,2,0,0,0,0|1,0,0]=3 459 B13R1.147 NC(CC(=O)O)C1=CC(Br)=CC=C1 14762 [0,2,0,0,0,0|1,0,0]=3 460 B13R1.147 NC(CC(=O)O)C1=CC(F)=CC=C1 14472 [0,2,0,0,0,0|1,0,0]=3 461 B13R1.147 N[C@@H](CC(=O)O)C1=CC(Br)=CC=C1 17333 [0,2,0,0,0,0|1,0,0]=3 462 B13R1.147 N[C@@H](CC(=O)O)C1=CC(Cl)=CC=C1 29980 [0,2,0,0,0,0|1,0,0]=3 463 B13R1.147 N[C@@H](CC(=O)O)C1=CC(F)=CC=C1 29979 [0,2,0,0,0,0|1,0,0]=3 464 B13R1.147 N[C@@H](CC(=O)O)C1=CC(O)=CC=C1 24050 [0,2,0,0,0,0|1,0,0]=3 465 B13R1.147 N[C@H](CC(=O)O)C1=CC(Cl)=CC=C1 14197 [0,2,0,0,0,0|1,0,0]=3 466 B13R1.201 CC1=C([C@H](N)CC(=O)O)C=CC=C1 30197 [0,2,0,0,0,0|1,0,0]=3 467 B13R1.201 NC(CC(=O)O)C1=C(Cl)C=CC=C1 13916 [0,2,0,0,0,0|1,0,0]=3 468 B13R1.201 N[C@@H](CC(=O)O)C1=C(Br)C=CC=C1 17332 [0,2,0,0,0,0|1,0,0]=3 469 B13R1.201 N[C@@H](CC(=O)O)C1=C(Br)C=CC=C1 30245 [0,2,0,0,0,0|1,0,0]=3 470 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 29989 [0,2,0,0,0,0|1,0,0]=3 471 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 17299 [0,2,0,0,0,0|1,0,0]=3 472 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 24059 [0,2,0,0,0,0|1,0,0]=3 473 B13R1.201 N[C@H](CC(=O)O)C1=C(Br)C=CC=C1 30201 [0,2,0,0,0,0|1,0,0]=3 474 B13R1.201 N[C@H](CC(=O)O)C1=C(Cl)C=CC=C1 29988 [0,2,0,0,0,0|1,0,0]=3 475 B13R1.201 N[C@H](CC(=O)O)C1=C(F)C=CC=C1 17296 [0,2,0,0,0,0|1,0,0]=3 476 B13R1.201 N[C@H](CC(=O)O)C1=C(O)C=CC=C1 24058 [0,2,0,0,0,0|1,0,0]=3 477 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 14505 [0,2,0,0,0,0|1,1,0]=4 478 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 32349 [0,2,0,0,0,0|1,0,0]=3 479 B13R1.713 NC[C@@H](CC(=O)O)C1=CC=CC=C1 18290 [0,2,0,0,0,0|1,0,0]=3 480 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 18289 [0,2,0,0,0,0|1,0,0]=3 481 B13R1.90 CSC1=C(OCC(=O)O)C=CC=C1 19217 [0,2,0,0,0,0|0,0,0]=2 482 B13R1.90 N#CC1=C(OCC(=O)O)C=CC=C1 19215 [0,2,0,0,0,0|0,0,0]=2 483 B13R1.90 O=CC1=C(\C=C\C(=O)O)C=CC=C1 8215 [0,2,0,0,0,0|1,0,1]=4 484 B13R1.150 O=C(O)COC1=C(Cl)C(Cl)=CC=C1 23860 [0,2,0,0,0,0|0,0,0]=2 485 B13R1.150 O=C(O)\C=C\C1=C(F)C(Cl)=CC=C1 7112 [0,2,0,0,0,0|1,0,1]=4 486 B13R1.150 O=C(O)\C=C\C1=C(F)C(F)=CC=C1 4329 [0,2,0,0,0,0|1,0,1]=4 487 B13R1.893 O=C(O)\C=C\C1=C(Br)C=CC(F)=C1 26645 [0,2,0,0,0,0|1,0,1]=4 488 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(Br)=C1 3230 [0,2,0,0,0,0|1,0,1]=4 489 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(F)=C1 4336 [0,2,0,0,0,0|1,0,1]=4 490 B13R1.3787 O=C(O)\C=C\C1=C(Cl)C=CC=C1F 3430 [0,2,0,0,0,0|1,0,1]=4 491 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1F 4344 [0,2,0,0,0,0|1,0,1]=4 492 B13R1.643 COC1=CC=CC(\C=C\C(=O)O)=C1 8229 [0,2,0,0,0,0|1,0,1]=4 493 B13R1.643 N#CC1=CC=CC(OCC(=O)O)=C1 19214 [0,2,0,0,0,0|0,0,0]=2 494 B13R1.3420 O=C(O)CCC1=CC(F)=CC(F)=C1 26668 [0,2,0,0,0,0|1,0,0]=3 495 B13R1.3420 O=C(O)\C=C\C1=CC(F)=CC(F)=C1 4345 [0,2,0,0,0,0|1,0,1]=4 496 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 19668 [0,0,1,1,0,0|1,0,1]=4 497 B11R1.266 C=CC1=CC=CC(C(=O)O)=C1 36178 [0,0,1,1,0,0|1,0,1]=4 498 B11R2.1 BrC1=COC2=C1C=CC=C2 28021 [1,0,0,1,0,0|1,0,1]=4 499 B11R2.1 ClC1=NOC2=C1C=CC=C2 8716 [1,0,0,1,0,0|2,0,0]=4 500 B11R2.1 NC1=NOC2=C1C=CC=C2 14511 [1,0,0,1,0,0|2,0,0]=4 501 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [1,0,0,1,0,0|1,0,0]=3 502 B11R2.1 O=C1CCc2ncccc21 26187 [1,0,0,1,0,0|2,0,0]=4 503 B11R2.1 O=C1COC2=C1C=CC=C2 7023 [1,0,0,1,0,0|0,0,0]=2 504 B11R2.1 O=C1COC2=C1C=NC=C2 24176 [1,0,0,1,0,0|1,0,0]=3 505 B11R2.1 O=C1COC2=CN=CC=C12 24154 [1,0,0,1,0,0|1,0,0]=3 506 B11R2.1 O=C1COC2=NC=CC=C12 24153 [1,0,0,1,0,0|1,0,0]=3 507 B11R2.1 O=C1CSC2=C1C=CC=C2 23797 [1,0,0,1,0,0|0,1,0]=3 508 B11R2.1 O=C1NCC2=CC=CC=C12 25108 [1,0,0,1,0,0|2,0,0]=4 509 B11R2.1 O=C1NNC2=CC=CC=C12 28083 [1,0,0,1,0,0|2,0,0]=4 510 B11R2.1 O=C1NSC2=C1C=CC=C2 15685 [1,0,0,1,0,0|1,1,0]=4 511 B11R2.1 O=C1OCC2=CC=CC=C12 22169 [1,0,0,1,0,0|2,0,0]=4 512 B11R2.1 O=C1SSC2=C1C=CC=C2 32197 [1,0,0,1,0,0|1,1,0]=4 513 B11R2.1 OC1=CNC2=CC=CC=C12 7264 [1,0,0,1,0,0|1,0,1]=4 514 B11R2.1 OC1=NOC2=C1C=CC=C2 27626 [1,0,0,1,0,0|1,0,0]=3 515 B11R2.20 C1=CC2=C(C=C1)OCCN2 22677 [1,0,0,1,0,0|1,0,1]=4 516 B11R2.20 C1=CC2=C(C=C1)OCCO2 9750 [1,0,0,1,0,0|0,0,1]=3 517 B11R2.20 C1=CN=C2OCCOC2=C1 27263 [1,0,0,1,0,0|1,0,1]=4 518 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 13460 [0,0,0,1,1,0|1,0,1]=4 519 B11R2.10 BrC1=CC2=CC=CC=C2C1 9657 [0,0,0,1,1,0|2,0,0]=4 520 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 33485 [0,0,0,1,1,0|2,0,0]=4 521 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [0,0,0,1,1,0|2,0,0]=4 522 B11R2.10 CC1=NC2=C(C=CC=C2)O1 8631 [0,0,0,1,1,0|2,0,0]=4 523 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 21885 [0,0,0,1,1,0|2,0,0]=4 524 B11R2.10 NC1=NC2=C(C=CC=C2)O1 17695 [0,0,0,1,1,0|2,0,0]=4 525 B11R2.10 O=C1CC2=C(C=CC=C2)O1 22170 [0,0,0,1,1,0|0,0,0]=2 526 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [0,0,0,1,1,0|1,0,0]=3 527 B11R2.10 O=C1CC2=CC=CC=C2N1 7177 [0,0,0,1,1,0|1,0,0]=3 528 B11R2.10 O=C1CC2=CC=CN=C2N1 35309 [0,0,0,1,1,0|2,0,0]=4 529 B11R2.10 O=C1CC2=CC=NC=C2N1 17713 [0,0,0,1,1,0|2,0,0]=4 530 B11R2.10 O=C1CN2C=CC=CC2=N1 23698 [0,0,0,1,1,0|2,0,0]=4 531 B11R2.10 O=C1CN2C=CC=CC2=N1 23703 [0,0,0,1,1,0|2,0,0]=4 532 B11R2.10 O=C1NC2=C(C=CC=C2)O1 8633 [0,0,0,1,1,0|1,0,0]=3 533 B11R2.10 O=C1NC2=C(C=CC=C2)S1 21831 [0,0,0,1,1,0|1,1,0]=4 534 B11R2.10 O=C1NC2=NC=CC=C2O1 11061 [0,0,0,1,1,0|2,0,0]=4 535 B11R2.10 OC1=NC2=C(C=CC=C2)N1 7606 [0,0,0,1,1,0|2,0,0]=4 536 B11R2.10 OC1CC2=CC=CC=C2C1 9652 [0,0,0,1,1,0|1,0,1]=4 537 B11R2.10 SC1=NC2=C(C=CC=C2)O1 8630 [0,0,0,1,1,0|1,1,0]=4 538 B13R2.10 O=C1N[C@@H](c2ccccc2)CO1 6076 [0,0,0,1,0,1|2,0,0]=4 539 B13R2.10 O=C1N[C@H](c2ccccc2)CO1 6077 [0,0,0,1,0,1|2,0,0]=4 540 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 7307 [0,0,0,1,0,1|2,0,0]=4 541 B13R2.72 O=C(O)C1=CCC2=CC=CC=C21 35527 [0,0,0,1,0,1|1,0,1]=4 542 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 1692 [0,0,0,1,0,1|1,0,1]=4 543 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 13463 [0,0,0,1,0,1|0,1,1]=4 544 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 15666 [0,0,0,1,0,1|1,0,1]=4 545 B13R2.72 O=C(O)C1CNC2=CC=CC=C21 7283 [0,0,0,1,0,1|1,0,0]=3 546 B13R2.423 O=C(Cl)[C@@H]1C[C@H]1C2=CC=CC=C2 16222 [0,0,0,1,0,1|2,0,0]=4 547 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 22341 [0,0,0,1,0,1|1,0,0]=3 548 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 22384 [0,0,0,1,0,1|1,0,1]=4 549 B13R2.2382 c1ccc(COC[C@@H]2CO2)cc1 5855 [0,0,0,1,0,1|1,0,1]=4 550 B13R2.2382 c1ccc(COC[C@H]2CO2)cc1 5849 [0,0,0,1,0,1|1,0,1]=4 551 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 19778 [0,1,0,1,0,0|2,0,0]=4 552 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 10607 [0,1,0,1,0,0|1,0,1]=4 553 B13R2.155 O=C1CCC2=CC=C(Br)C=C2C1 18150 [0,1,0,1,0,0|2,0,0]=4 554 B13R2.155 O=C1CCC2=CC=C(Cl)C=C2C1 18149 [0,1,0,1,0,0|2,0,0]=4 555 B13R2.155 O=C1CCC2=CC=C(Cl)C=C2N1 25678 [0,1,0,1,0,0|2,0,0]=4 556 B13R2.155 O=C1CCC2=CC=C(F)C=C2C1 18147 [0,1,0,1,0,0|2,0,0]=4 557 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 14908 [0,1,0,1,0,0|2,0,0]=4 558 B13R2.155 O=C1COC2=C(C=C(Br)C=C2)N1 16746 [0,1,0,1,0,0|1,0,0]=3 559 B13R2.155 O=C1COC2=C(C=C(Br)C=N2)N1 27172 [0,1,0,1,0,0|2,0,0]=4 560 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 27691 [0,1,0,1,0,0|1,0,0]=3 561 B13R2.155 O=C1COC2=C(C=C(I)C=N2)N1 26965 [0,1,0,1,0,0|2,0,0]=4 562 B13R2.155 O=C1COC2=C(C=C(O)C=C2)N1 27892 [0,1,0,1,0,0|1,0,0]=3 563 B13R2.155 O=C1COC2=CC=C(Br)C=C2C1 18399 [0,1,0,1,0,0|1,0,0]=3 564 B13R2.155 O=C1COC2=CC=C(Cl)C=C2C1 18387 [0,1,0,1,0,0|1,0,0]=3 565 B13R2.155 O=C1COC2=CC=C(F)C=C2C1 18379 [0,1,0,1,0,0|1,0,0]=3 566 B13R2.527 BrC1=CC=C(OCC2CO2)C=C1 35866 [0,1,0,1,0,0|1,0,1]=4 567 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 27598 [0,1,0,1,0,0|2,0,0]=4 568 B13R2.57 NCC1COC2=C(C=CC=C2)O1 14481 [0,1,0,1,0,0|1,0,1]=4 569 B13R2.57 NC[C@@H]1COC2=C(C=CC=C2)O1 11449 [0,1,0,1,0,0|1,0,1]=4 570 B13R2.57 NC[C@H]1COC2=C(C=CC=C2)O1 11450 [0,1,0,1,0,0|1,0,1]=4 571 B13R2.57 OC[C@@H]1COC2=C(C=CC=C2)O1 11339 [0,1,0,1,0,0|0,0,2]=4 572 B13R2.57 OC[C@H]1COC2=C(C=CC=C2)O1 11340 [0,1,0,1,0,0|0,0,2]=4 573 B13R2.373 O=C1NC(C2=CC=CC=C2)C1O 24548 [0,1,0,1,0,0|2,0,0]=4 574 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@@H]1O 24545 [0,1,0,1,0,0|2,0,0]=4 575 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O 24544 [0,1,0,1,0,0|2,0,0]=4 576 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@@H]1O 24546 [0,1,0,1,0,0|2,0,0]=4 577 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@H]1O 24547 [0,1,0,1,0,0|2,0,0]=4 578 B13R2.369 NC1CC2=CC=CC=C2NC1=O 17875 [0,1,0,1,0,0|2,0,0]=4 579 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 6959 [0,1,0,1,0,0|1,0,1]=4 580 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)O1 7016 [0,1,0,1,0,0|1,0,1]=4 581 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 7019 [0,1,0,1,0,0|0,0,1]=3 582 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 1690 [0,1,0,1,0,0|1,0,1]=4 583 B13R2.435 O=C(O)C1=CC2=CC=CN=C2O1 20928 [0,1,0,1,0,0|1,0,1]=4 584 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 8062 [0,1,0,1,0,0|1,0,1]=4 585 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 15844 [0,1,0,1,0,0|0,0,1]=3 586 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 3035 [0,1,0,1,0,0|1,0,0]=3 587 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 6053 [0,1,0,1,0,0|1,0,0]=3 588 B13R2.435 O=C(O)[C@H]1CC2=CC=CC=C2N1 20604 [0,1,0,1,0,0|1,0,0]=3 589 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 8693 [0,1,0,1,0,0|1,0,1]=4 590 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2C1 17236 [0,1,0,1,0,0|2,0,0]=4 591 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 17936 [0,1,0,1,0,0|2,0,0]=4 592 B13R2.5179 O=C1CCC2=C(F)C=CC=C2C1 17935 [0,1,0,1,0,0|2,0,0]=4 593 B13R2.5179 O=C1CCC2=C(I)C=CC=C2C1 17938 [0,1,0,1,0,0|2,0,0]=4 594 B13R2.5179 O=C1CCC2=C(O)C=CC=C2N1 24134 [0,1,0,1,0,0|2,0,0]=4 595 B13R2.5179 O=C1COC2=C(Br)C=CC=C2C1 18173 [0,1,0,1,0,0|1,0,0]=3 596 B13R2.5179 O=C1COC2=C(C=CC=C2O)N1 27895 [0,1,0,1,0,0|1,0,0]=3 597 B13R2.151 O=C1CC(C2=CC(Br)=CC=C2)C1 11022 [0,1,0,1,0,0|2,0,0]=4 598 B13R2.162 NC1=C2CC(=O)CCC2=CC=C1 19266 [0,1,0,1,0,0|2,0,0]=4 599 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 17944 [0,1,0,1,0,0|2,0,0]=4 600 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2C1 17943 [0,1,0,1,0,0|2,0,0]=4 601 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 17942 [0,1,0,1,0,0|2,0,0]=4 602 B13R2.162 O=C1CCC2=CC=CC(I)=C2C1 17945 [0,1,0,1,0,0|2,0,0]=4 603 B13R2.162 O=C1CCC2=CC=CC(O)=C2C1 16050 [0,1,0,1,0,0|2,0,0]=4 604 B13R2.162 O=C1COC2=C(N1)C(F)=CC=C2 27628 [0,1,0,1,0,0|1,0,0]=3 605 B13R2.162 O=C1COC2=CC=CC(Br)=C2C1 18371 [0,1,0,1,0,0|1,0,0]=3 606 B13R2.162 O=C1COC2=CC=CC(Cl)=C2C1 18193 [0,1,0,1,0,0|1,0,0]=3 607 B13R2.3683 CC1=CC=C2CC(=O)CCC2=C1 26065 [0,1,0,1,0,0|2,0,0]=4 608 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 9755 [0,1,0,1,0,0|1,0,1]=4 609 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2O1 11099 [0,1,0,1,0,0|1,0,1]=4 610 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2C1 16126 [0,1,0,1,0,0|2,0,0]=4 611 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 17577 [0,1,0,1,0,0|1,0,0]=3 612 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 34522 [0,1,0,1,0,0|1,0,0]=3 613 B13R2.3683 O=C1CCC2=CC(Cl)=CC=C2C1 17950 [0,1,0,1,0,0|2,0,0]=4 614 B13R2.3683 O=C1CCC2=CC(F)=CC=C2C1 17949 [0,1,0,1,0,0|2,0,0]=4 615 B13R2.3683 O=C1CCC2=CC(F)=CC=C2N1 27931 [0,1,0,1,0,0|2,0,0]=4 616 B13R2.3683 O=C1CCC2=CC(I)=CC=C2C1 17952 [0,1,0,1,0,0|2,0,0]=4 617 B13R2.3683 O=C1CCc2cc(O)ccc2N1 5863 [0,1,0,1,0,0|2,0,0]=4 618 B13R2.3683 O=C1COC2=C(C=CC(Br)=C2)N1 27579 [0,1,0,1,0,0|1,0,0]=3 619 B13R2.3683 O=C1COC2=C(C=CC(F)=C2)N1 27740 [0,1,0,1,0,0|1,0,0]=3 620 B13R2.3683 O=C1COC2=C(C=CC(I)=N2)N1 27173 [0,1,0,1,0,0|2,0,0]=4 621 B13R2.3683 O=C1COC2=C(C=CC(O)=C2)N1 27734 [0,1,0,1,0,0|1,0,0]=3 622 B13R2.3683 O=C1COC2=C(N=CC(Br)=C2)N1 34576 [0,1,0,1,0,0|2,0,0]=4 623 B13R2.3683 O=C1COC2=CC(Br)=CC=C2C1 18376 [0,1,0,1,0,0|1,0,0]=3 624 B13R2.3683 O=C1COC2=CC(Cl)=CC=C2C1 18375 [0,1,0,1,0,0|1,0,0]=3 625 B13R2.3683 O=C1COC2=CC(F)=CC=C2C1 18374 [0,1,0,1,0,0|1,0,0]=3 626 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [0,0,0,0,2,0|2,0,0]=4 627 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [0,0,0,0,2,0|2,0,0]=4 628 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [0,0,0,0,2,0|2,0,0]=4 629 B9R1.6 C[C@@H](O)c1ccccc1 6851 [0,0,0,0,2,0|1,0,1]=4 630 B9R1.6 C[C@H](O)c1ccccc1 6858 [0,0,0,0,2,0|1,0,1]=4 631 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [0,0,0,0,2,0|2,0,0]=4 632 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [0,0,0,0,2,0|1,1,0]=4 633 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [0,0,0,0,2,0|1,1,0]=4 634 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [0,0,0,0,2,0|1,0,0]=3 635 B9R1.6 O=C(Cl)C1=CC=NC=C1 23974 [0,0,0,0,2,0|2,0,0]=4 636 B9R1.6 O=C(Cl)C1=CN=CC=C1 15186 [0,0,0,0,2,0|2,0,0]=4 637 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [0,0,0,0,2,0|2,0,0]=4 638 B9R1.6 O=C(O)C1=CC=CN=N1 22109 [0,0,0,0,2,0|2,0,0]=4 639 B9R1.6 O=C(O)C1=CC=NC=C1 2595 [0,0,0,0,2,0|1,0,0]=3 640 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [0,0,0,0,2,0|1,0,0]=3 641 B9R1.6 O=C(O)C1=CN=CN=C1 2056 [0,0,0,0,2,0|2,0,0]=4 642 B9R1.6 O=C(O)C1=CN=NC=C1 9501 [0,0,0,0,2,0|2,0,0]=4 643 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [0,0,0,0,2,0|1,0,0]=3 644 B9R1.6 O=C(O)C1=NC=CC=N1 9603 [0,0,0,0,2,0|2,0,0]=4 645 B9R1.6 O=C(O)C1=NC=CN=C1 8602 [0,0,0,0,2,0|2,0,0]=4 646 B9R1.6 O=C(O)C1=NC=NC=C1 5297 [0,0,0,0,2,0|2,0,0]=4 647 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [0,0,0,0,2,0|1,0,1]=4 648 B9R1.6 OB(O)C1=CC=CC=C1 1753 [0,0,0,0,2,0|1,0,1]=4 649 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [0,0,0,0,2,0|0,1,0]=3 650 B9R1.13 O=C(Cl)CC1=CC=CS1 5578 [0,0,0,0,2,0|2,0,0]=4 651 B9R1.13 O=C(O)CC1=CC=CO1 17310 [0,0,0,0,2,0|1,0,0]=3 652 B9R1.13 O=C(O)CC1=CC=CS1 5168 [0,0,0,0,2,0|1,0,0]=3 653 B9R1.13 O=C(O)CC1=CSC=C1 5586 [0,0,0,0,2,0|1,0,0]=3 654 B9R1.13 O=C(O)CC1=NC=CN1 18001 [0,0,0,0,2,0|2,0,0]=4 655 B9R1.13 O=C(O)CN1C=CN=C1 7609 [0,0,0,0,2,0|2,0,0]=4 656 B9R1.13 O=C(O)CN1C=CN=C1 8383 [0,0,0,0,2,0|2,0,0]=4 657 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 34454 [0,0,0,0,0,2|0,0,0]=2 658 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 12833 [0,0,0,0,0,2|0,1,0]=3 659 B13R1.337 O=C(O)\C=C\C=C\C1=CC=CC=C1 26316 [0,0,0,0,0,2|1,0,1]=4