0 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.91 CC(=O)NCC1=CC=CN=C1 13219 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.91 CC(=O)NNC1=CC=CC=C1 7620 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.91 CC(=O)OCC1=CC=NC=C1 1302 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.91 CC(C)=NNC1=CC=CC=C1 19806 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.91 CC(N)CCC1=CC=CC=C1 21082 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.91 C[C@H](O)COC1=CC=CC=C1 15590 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.91 NC(=O)COC1=CC=CC=C1 12494 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.91 NC(=O)OCC1=CC=CC=C1 12421 [0,0,0,0,0,0|1,0,0]=1 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|3,0,0]=3 13 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 12079 [0,0,0,0,0,0|1,0,0]=1 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|2,0,1]=3 17 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.91 O=C(O)CCC1=CC=CN=C1 8701 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.91 O=C(O)COC1=CC=NC=C1 34778 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.91 O=C(O)COC1=NC=CC=C1 18115 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 13612 [0,0,0,0,0,0|2,0,1]=3 22 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 16731 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3816 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 9807 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 8142 [0,0,0,0,0,0|2,0,1]=3 26 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 36133 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 34899 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.91 OB(O)CCc1ccccc1 14049 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.17 BrCCCC1=CC=CC=C1 3832 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.17 C=CCOC1=CC=CC=C1 29359 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.17 C=COCC1=CC=CC=C1 36172 [1,0,0,0,0,0|0,0,1]=2 32 B10R1.17 CCCCC1=CC=CC=C1 13571 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.17 CCNCC1=NC=CC=C1 23918 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.17 CNCCC1=CC=NC=C1 14195 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.17 ClCOCC1=CC=CC=C1 7566 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.17 NNCCC1=CC=CC=C1 16246 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.17 O=C\C=C\C1=CC=CC=C1 24958 [1,0,0,0,0,0|1,0,1]=3 38 B10R1.17 OCCCC1=CC=CC=C1 15023 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.17 S=C=NCC1=CC=CC=C1 14549 [1,0,0,0,0,0|1,1,1]=4 40 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 25447 [1,0,0,0,0,0|3,0,0]=4 41 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 21102 [0,1,0,0,0,0|1,0,0]=2 42 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 8253 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 15217 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.21 Cc1ccc(CCC(=O)O)cc1 3031 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 16282 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 19769 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 12507 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 20127 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 3758 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 3630 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 3491 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 24323 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 8247 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 23442 [0,1,0,0,0,0|0,0,1]=2 55 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [0,1,0,0,0,0|2,0,0]=3 57 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [0,1,0,0,0,0|2,0,0]=3 58 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 8189 [0,1,0,0,0,0|1,0,1]=3 59 B12R1.27 NCC(=O)OCC1=CC=CC=C1 11141 [0,1,0,0,0,0|0,0,0]=1 60 B12R1.27 NNC(=O)OCC1=CC=CC=C1 13705 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 7461 [0,1,0,0,0,0|0,0,0]=1 62 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 12461 [0,1,0,0,0,0|1,0,0]=2 63 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 22780 [0,1,0,0,0,0|0,0,0]=1 64 B12R1.27 O=C(NO)OCC1=CC=CC=C1 22874 [0,1,0,0,0,0|1,0,0]=2 65 B12R1.43 CC(CC1=CC=CC=C1)[N+](=O)[O-] 35813 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 16952 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 8190 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 20603 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19011 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 2375 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O 21965 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 11004 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 18595 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 20966 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 24900 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 20967 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O 5696 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 10975 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O 15910 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O 29810 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 10725 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 6413 [0,1,0,0,0,0|2,0,0]=3 83 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 6414 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 16697 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.107 CC(=O)CC(=O)C1=NC=CC=C1 35878 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 25350 [0,1,0,0,0,0|1,0,0]=2 87 B12R1.107 CC(=O)NC(C)c1ccccc1 28161 [0,1,0,0,0,0|1,0,0]=2 88 B12R1.107 CC(C)N[C@H](C)C1=CC=CC=C1 16362 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 13889 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 13900 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 17293 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 15111 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 15101 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 15116 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.107 N[C@@H](CC(=O)O)c1ccccc1 5926 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 14014 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 5925 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 15114 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.107 N[C@H](CC(=O)O)C1=CC=NC=C1 15103 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.107 N[C@H](CC(=O)O)C1=NC=CC=C1 15113 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 13910 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 31589 [0,1,0,0,0,0|2,0,0]=3 103 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 8211 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 15787 [0,1,0,0,0,0|2,0,0]=3 105 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 19768 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 13945 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 19212 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 3756 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 3628 [0,1,0,0,0,0|2,0,1]=4 110 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 3488 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 8214 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 25873 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 25814 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 13947 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 26050 [0,1,0,0,0,0|2,0,0]=3 116 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 19211 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 3757 [0,1,0,0,0,0|2,0,1]=4 118 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 3629 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 3489 [0,1,0,0,0,0|2,0,1]=4 120 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 4346 [0,1,0,0,0,0|2,0,1]=4 121 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 8222 [0,1,0,0,0,0|2,0,1]=4 122 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 31402 [0,1,0,0,0,0|3,0,0]=4 123 B12R2.24 CC1=CC2=CC=CC=C2N=C1 2344 [0,0,0,1,0,0|3,0,0]=4 124 B12R2.24 CC1=NC2=C(C=CC=C2)N=N1 24093 [0,0,0,1,0,0|3,0,0]=4 125 B12R2.24 CC1=NC2=CC=CC=C2C=C1 5809 [0,0,0,1,0,0|2,0,1]=4 126 B12R2.24 CC1CCC2=CC=CC=C2N1 7515 [0,0,0,1,0,0|2,0,1]=4 127 B12R2.24 NN1CCC2=CC=CC=C2C1 27729 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.24 N[C@H]1CCC2=CC=CC=C2C1 23249 [0,0,0,1,0,0|2,0,1]=4 129 B12R2.24 O=C1C=CC2=CC=CC=C2O1 21620 [0,0,0,1,0,0|2,0,1]=4 130 B12R2.24 O=C1CC2=CC=CC=C2CO1 22155 [0,0,0,1,0,0|0,0,0]=1 131 B12R2.24 O=C1CCC2=CC=CC=C2C1 17934 [0,0,0,1,0,0|1,0,0]=2 132 B12R2.24 O=C1COC2=C(C=CC=C2)N1 18791 [0,0,0,1,0,0|3,0,0]=4 133 B12R2.24 O=C1COC2=CC=CC=C2C1 9704 [0,0,0,1,0,0|2,0,0]=3 134 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [0,0,0,0,1,0|1,0,0]=2 135 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [0,0,0,0,1,0|1,0,0]=2 136 B10R1.18 CC(=O)NC1=CN=CN=C1 25070 [0,0,0,0,1,0|3,0,0]=4 137 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [0,0,0,0,1,0|0,1,0]=2 138 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [0,0,0,0,1,0|1,0,1]=3 139 B10R1.18 CC(C)OC1=CC=NC=C1 6684 [0,0,0,0,1,0|2,0,1]=4 140 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [0,0,0,0,1,0|0,0,2]=3 141 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [0,0,0,0,1,0|2,1,0]=4 142 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [0,0,0,0,1,0|1,0,0]=2 143 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [0,0,0,0,1,0|2,0,0]=3 144 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [0,0,0,0,1,0|2,0,0]=3 145 B10R1.18 O=C(O)CC1=CN=CN=C1 13279 [0,0,0,0,1,0|3,0,0]=4 146 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [0,0,0,0,1,0|2,0,0]=3 147 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [0,0,0,0,1,0|1,0,0]=2 148 B10R1.18 O=C([O-])CC1=NC=CC=N1 13283 [0,0,0,0,1,0|3,0,0]=4 149 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [0,0,0,0,1,0|2,0,0]=3 150 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [0,0,0,0,1,0|2,0,1]=4 151 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [0,0,0,0,1,0|1,0,1]=3 152 B10R1.66 CC(=O)OCC1=CC=CO1 9970 [0,0,0,0,1,0|1,0,0]=2 153 B10R1.66 O=C(O)CCc1cccs1 23928 [0,0,0,0,1,0|3,0,0]=4 154 B12R1.252 CC(=O)CCCC1=CC=CC=C1 23541 [0,0,0,0,0,1|1,0,0]=2 155 B12R1.252 CC(=O)COCC1=CC=CC=C1 16411 [0,0,0,0,0,1|0,0,0]=1 156 B12R1.252 CC(=O)NCCC1=CC=CC=C1 18566 [0,0,0,0,0,1|1,0,0]=2 157 B12R1.252 NC(=O)NOCC1=CC=CC=C1 19804 [0,0,0,0,0,1|1,0,0]=2 158 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 14437 [0,0,0,0,0,1|1,0,0]=2 159 B12R1.252 O=C(O)CCSC1=CC=CC=C1 19766 [0,0,0,0,0,1|2,0,0]=3 160 B12R1.252 O=C(O)CNCC1=CC=CC=C1 23196 [0,0,0,0,0,1|2,0,0]=3 161 B12R1.252 O=C(O)COCC1=CC=CC=C1 28933 [0,0,0,0,0,1|1,0,0]=2 162 B12R1.252 O=C(O)CSCC1=CC=CC=C1 25337 [0,0,0,0,0,1|1,1,0]=3 163 B9R0.2 C\C=C\C=C\COC(C)=O 13748 [1,0,1,0,0,0|0,0,1]=3 164 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.8 C=CCC1=CC=CC=C1 29358 [2,0,0,0,0,0|0,0,1]=3 166 B9R1.8 C=CSC1=CC=CC=C1 10778 [2,0,0,0,0,0|0,1,1]=4 167 B9R1.8 CCCC1=CC=CC=C1 10852 [2,0,0,0,0,0|0,0,1]=3 168 B9R1.8 CCCC1=CC=NC=C1 15021 [2,0,0,0,0,0|1,0,1]=4 169 B9R1.8 CCOC1=CC=NC=C1 1125 [2,0,0,0,0,0|1,0,1]=4 170 B9R1.8 CCOC1=NC=CC=C1 1126 [2,0,0,0,0,0|1,0,1]=4 171 B9R1.8 CCSC1=CC=CC=C1 10773 [2,0,0,0,0,0|0,1,1]=4 172 B9R1.8 CNCC1=CC=CC=C1 19910 [2,0,0,0,0,0|1,0,0]=3 173 B9R1.8 CNCC1=CC=CC=C1 25218 [2,0,0,0,0,0|1,0,0]=3 174 B9R1.8 CNCC1=CC=CC=C1 5801 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.8 COCC1=CC=CC=C1 15300 [2,0,0,0,0,0|0,0,0]=2 176 B9R1.8 ClCCC1=CC=CC=C1 26674 [2,0,0,0,0,0|1,0,1]=4 177 B9R1.8 NCCc1ccccc1 21077 [2,0,0,0,0,0|1,0,1]=4 178 B9R1.8 NNCC1=CC=CC=C1 29056 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.8 NOCC1=CC=CC=C1 24804 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.8 NOCC1=CC=CC=C1 7095 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.8 ONCC1=CC=CC=C1 25520 [2,0,0,0,0,0|1,0,1]=4 182 B11R1.1 CCCCC1=CC=C(Br)C=C1 15109 [1,1,0,0,0,0|1,0,1]=4 183 B11R1.1 CCCCC1=CC=C(I)C=C1 3969 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.1 CCCCC1=CC=C(N)C=C1 23885 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.1 CNCCC1=CC=C(O)C=C1 15214 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.1 COCCc1ccc(O)cc1 27303 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.1 O=C=NCC1=CC=C(F)C=C1 28902 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.1 O=CCCC1=CC=C(F)C=C1 31590 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.1 O=CCCC1=CC=C(O)C=C1 13990 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 11046 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.16 C[C@@H](N=C=O)c1ccccc1 8096 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 8097 [1,1,0,0,0,0|1,0,1]=4 194 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 14016 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 24068 [1,1,0,0,0,0|1,0,0]=3 196 B11R1.17 O=CCCC1=C(F)C=CC=C1 31588 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.24 O=C=NCC1=CC(F)=CC=C1 16233 [1,1,0,0,0,0|1,0,1]=4 198 B11R1.28 CCCCCC1=CC=CC=C1 16788 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.28 CCCCOC1=CC=CC=C1 12529 [1,1,0,0,0,0|1,0,1]=4 200 B11R1.28 CCO\C=N\C1=CC=CC=C1 27347 [1,1,0,0,0,0|0,0,2]=4 201 B11R1.28 O=C=NCCC1=CC=CC=C1 12396 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.28 OCCCCC1=CC=CC=C1 3100 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.28 OCCNCC1=CC=CC=C1 12960 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.28 OCCOCC1=CC=CC=C1 1939 [1,1,0,0,0,0|0,0,1]=3 205 B11R1.28 OCCSCC1=CC=CC=C1 10801 [1,1,0,0,0,0|0,1,1]=4 206 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [0,1,0,0,1,0|0,0,0]=2 207 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [0,1,0,0,1,0|0,0,0]=2 208 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [0,1,0,0,1,0|0,0,0]=2 209 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [0,1,0,0,1,0|0,0,0]=2 210 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [0,1,0,0,1,0|1,0,0]=3 211 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 26262 [0,1,0,0,1,0|1,0,0]=3 212 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 3293 [0,1,0,0,1,0|1,0,0]=3 213 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 17726 [0,1,0,0,1,0|1,0,0]=3 214 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 6832 [0,1,0,0,1,0|1,0,0]=3 215 B11R1.20 CC(=O)NC1=CN=C(Br)C=C1 9474 [0,1,0,0,1,0|2,0,0]=4 216 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 5546 [0,1,0,0,1,0|2,0,0]=4 217 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 1298 [0,1,0,0,1,0|2,0,0]=4 218 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 1297 [0,1,0,0,1,0|2,0,0]=4 219 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 3061 [0,1,0,0,1,0|0,0,0]=2 220 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 27490 [0,1,0,0,1,0|1,0,1]=4 221 B11R1.20 CC(C)OC1=CC=C(N)C=C1 28330 [0,1,0,0,1,0|1,0,1]=4 222 B11R1.20 CC(C)OC1=CC=C(O)C=C1 34515 [0,1,0,0,1,0|1,0,1]=4 223 B11R1.20 CC(N)CC1=CC=C(F)C=C1 19961 [0,1,0,0,1,0|1,0,1]=4 224 B11R1.20 CC1=CC=C(CC(O)=S)C=C1 10789 [0,1,0,0,1,0|1,0,1]=4 225 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 17532 [0,1,0,0,1,0|1,0,0]=3 226 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 25031 [0,1,0,0,1,0|2,0,0]=4 227 B11R1.20 NC1=CN=C(CC(=O)O)C=C1 32286 [0,1,0,0,1,0|2,0,0]=4 228 B11R1.20 Nc1ccc(CC(=O)O)cc1 22147 [0,1,0,0,1,0|1,0,0]=3 229 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 44721 [0,1,0,0,1,0|1,0,0]=3 230 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 17517 [0,1,0,0,1,0|1,0,0]=3 231 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 4246 [0,1,0,0,1,0|1,0,0]=3 232 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 4250 [0,1,0,0,1,0|1,0,0]=3 233 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 13909 [0,1,0,0,1,0|2,0,0]=4 234 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 13432 [0,1,0,0,1,0|1,0,0]=3 235 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 19614 [0,1,0,0,1,0|1,0,0]=3 236 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 18835 [0,1,0,0,1,0|1,0,0]=3 237 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 22193 [0,1,0,0,1,0|1,0,0]=3 238 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 34915 [0,1,0,0,1,0|1,0,0]=3 239 B11R1.20 O=C([O-])[ClH]C1=CC=C(Br)C=C1 28974 [0,1,0,0,1,0|2,0,0]=4 240 B11R1.20 O=C([O-])[ClH]C1=CC=C(F)C=C1 28972 [0,1,0,0,1,0|2,0,0]=4 241 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 35902 [0,1,0,0,1,0|1,0,1]=4 242 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 21081 [0,1,0,0,1,0|1,0,0]=3 243 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 6079 [0,1,0,0,1,0|1,0,0]=3 244 B11R1.36 C[C@H](C(=O)O)c1ccccc1 6862 [0,1,0,0,1,0|1,0,0]=3 245 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [0,1,0,0,1,0|1,0,0]=3 246 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [0,1,0,0,1,0|1,0,0]=3 247 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 16811 [0,1,0,0,1,0|1,0,0]=3 248 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 11005 [0,1,0,0,1,0|1,0,0]=3 249 B11R1.36 N[C@H](C(=O)O)c1ccccc1 23858 [0,1,0,0,1,0|1,0,0]=3 250 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [0,1,0,0,1,0|1,0,0]=3 251 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [0,1,0,0,1,0|1,0,0]=3 252 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [0,1,0,0,1,0|1,0,0]=3 253 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 23388 [0,1,0,0,1,0|0,0,0]=2 254 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 28140 [0,1,0,0,1,0|0,0,0]=2 255 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 28149 [0,1,0,0,1,0|0,0,0]=2 256 B11R1.86 CC(=O)NC1=C(N)C=NC=C1 9601 [0,1,0,0,1,0|2,0,0]=4 257 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 3830 [0,1,0,0,1,0|1,0,0]=3 258 B11R1.86 CC(=O)NC1=C(O)C=CN=C1 26792 [0,1,0,0,1,0|2,0,0]=4 259 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 26790 [0,1,0,0,1,0|2,0,0]=4 260 B11R1.86 CC(=O)NC1=NC=CC=C1Br 25022 [0,1,0,0,1,0|2,0,0]=4 261 B11R1.86 CC(=O)NC1=NC=CC=C1O 26791 [0,1,0,0,1,0|2,0,0]=4 262 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 3055 [0,1,0,0,1,0|0,0,0]=2 263 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 3059 [0,1,0,0,1,0|0,0,0]=2 264 B11R1.86 CC(=O)OC1=C(I)C=CC=C1 3062 [0,1,0,0,1,0|0,0,0]=2 265 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 3828 [0,1,0,0,1,0|1,0,1]=4 266 B11R1.86 CC(C)OC1=C(O)C=CC=C1 13205 [0,1,0,0,1,0|1,0,1]=4 267 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 20124 [0,1,0,0,1,0|1,0,0]=3 268 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 17571 [0,1,0,0,1,0|1,0,0]=3 269 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 7214 [0,1,0,0,1,0|1,0,0]=3 270 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 16509 [0,1,0,0,1,0|1,0,0]=3 271 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 4164 [0,1,0,0,1,0|1,0,0]=3 272 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 2552 [0,1,0,0,1,0|1,0,0]=3 273 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20030 [0,1,0,0,1,0|1,0,0]=3 274 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 25423 [0,1,0,0,1,0|0,0,0]=2 275 B11R1.157 CC(=O)CC1=CC(Cl)=CC=C1 19805 [0,1,0,0,1,0|0,0,0]=2 276 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 35854 [0,1,0,0,1,0|0,0,0]=2 277 B11R1.157 CC(=O)NC1=CC(Br)=CN=C1 20022 [0,1,0,0,1,0|2,0,0]=4 278 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 3340 [0,1,0,0,1,0|1,0,0]=3 279 B11R1.157 CC(=O)NC1=CC(C)=NC=C1 26051 [0,1,0,0,1,0|2,0,0]=4 280 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 12418 [0,1,0,0,1,0|2,0,0]=4 281 B11R1.157 CC(=O)NC1=CC(I)=CC=C1 3291 [0,1,0,0,1,0|1,0,0]=3 282 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 3835 [0,1,0,0,1,0|1,0,0]=3 283 B11R1.157 CC(=O)NC1=NC(Br)=CC=C1 25034 [0,1,0,0,1,0|2,0,0]=4 284 B11R1.157 CC(=O)NC1=NC(C)=CC=C1 25032 [0,1,0,0,1,0|2,0,0]=4 285 B11R1.157 CC(=O)NC1=NC=CC(C)=C1 16556 [0,1,0,0,1,0|2,0,0]=4 286 B11R1.157 CC(=O)OC1=CC(Cl)=CC=C1 3057 [0,1,0,0,1,0|0,0,0]=2 287 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 3060 [0,1,0,0,1,0|0,0,0]=2 288 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 34333 [0,1,0,0,1,0|1,0,1]=4 289 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 14867 [0,1,0,0,1,0|1,0,1]=4 290 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 28872 [0,1,0,0,1,0|1,0,0]=3 291 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 1961 [0,1,0,0,1,0|1,0,0]=3 292 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 4244 [0,1,0,0,1,0|1,0,0]=3 293 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 16510 [0,1,0,0,1,0|1,0,0]=3 294 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 4167 [0,1,0,0,1,0|1,0,0]=3 295 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 4195 [0,1,0,0,1,0|1,0,0]=3 296 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 21773 [0,1,0,0,1,0|1,0,0]=3 297 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 22292 [0,1,0,0,1,0|2,0,0]=4 298 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 21920 [0,1,0,0,1,0|2,0,0]=4 299 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 26241 [0,1,0,0,1,0|2,0,0]=4 300 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7798 [0,1,0,0,1,0|2,0,0]=4 301 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7799 [0,1,0,0,1,0|2,0,0]=4 302 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 10753 [0,1,0,0,1,0|2,0,0]=4 303 B11R1.509 O=P(Cl)(Cl)OC1=CC=CC=C1 14039 [0,1,0,0,1,0|2,0,0]=4 304 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 5036 [0,1,0,0,1,0|2,0,0]=4 305 B11R1.25 COC(=O)CCC1=CC=CS1 16785 [0,1,0,0,1,0|2,0,0]=4 306 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 28194 [0,1,0,0,0,1|2,0,0]=4 307 B13R1.149 CC1=CC=CC(OCCC(=O)O)=C1 19231 [0,1,0,0,0,1|2,0,0]=4 308 B13R1.149 O=C(O)CCCC1=CC(Br)=CC=C1 17542 [0,1,0,0,0,1|2,0,0]=4 309 B13R1.149 O=C(O)CCNC1=CC(F)=CC=C1 13942 [0,1,0,0,0,1|2,0,0]=4 310 B13R1.149 O=C(O)CCOC1=CC(Cl)=CC=C1 19224 [0,1,0,0,0,1|2,0,0]=4 311 B13R1.149 O=C(O)CCOC1=CC(F)=CC=C1 19219 [0,1,0,0,0,1|2,0,0]=4 312 B13R1.158 CC1=C(OCCC(=O)O)C=CC=C1 19232 [0,1,0,0,0,1|2,0,0]=4 313 B13R1.158 NC1=C(OCCC(=O)O)C=CC=C1 16177 [0,1,0,0,0,1|2,0,0]=4 314 B13R1.158 NC1=C(SCCC(=O)O)C=CC=C1 16183 [0,1,0,0,0,1|2,0,0]=4 315 B13R1.158 O=C(O)CCCC1=C(Br)C=CC=C1 16180 [0,1,0,0,0,1|2,0,0]=4 316 B13R1.158 O=C(O)CCOC1=C(Cl)C=CC=C1 19226 [0,1,0,0,0,1|2,0,0]=4 317 B13R1.158 O=C(O)CCOC1=C(F)C=CC=C1 18860 [0,1,0,0,0,1|2,0,0]=4 318 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 35734 [0,1,0,0,0,1|1,0,0]=3 319 B13R1.348 CC(=O)\C=C(/C)NC1=CC=CC=C1 12811 [0,1,0,0,0,1|1,0,1]=4 320 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24324 [0,1,0,0,0,1|2,0,0]=4 321 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 13855 [0,1,0,0,0,1|2,0,0]=4 322 B13R1.351 C[C@@H](N)C(=O)OCC1=CC=CC=C1 12308 [0,1,0,0,0,1|1,0,1]=4 323 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O 36485 [0,1,0,0,0,1|1,0,0]=3 324 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 12863 [0,1,0,0,0,1|1,0,1]=4 325 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 18931 [0,1,0,0,0,1|1,0,1]=4 326 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 36205 [0,1,0,0,0,1|0,0,2]=4 327 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O 11932 [0,1,0,0,0,1|2,0,0]=4 328 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O 19031 [0,1,0,0,0,1|2,0,0]=4 329 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O 11884 [0,1,0,0,0,1|2,0,0]=4 330 B13R1.351 N[C@H](CCc1ccccc1)C(=O)O 30241 [0,1,0,0,0,1|2,0,0]=4 331 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 18755 [0,1,0,0,0,1|2,0,0]=4 332 B13R1.351 O=C(O)[C@H](O)CCc1ccccc1 5687 [0,1,0,0,0,1|2,0,0]=4 333 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 16174 [0,1,0,0,0,1|2,0,0]=4 334 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 8251 [0,2,0,0,0,0|2,0,0]=4 335 B13R1.3 O=CC1=CC=C(CCC(=O)O)C=C1 27618 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 28884 [0,2,0,0,0,0|1,0,0]=3 337 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 31615 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 8193 [0,2,0,0,0,0|1,0,1]=4 339 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 3126 [0,2,0,0,0,0|1,0,1]=4 340 B13R1.132 CC1=CC=C(C(N)CC(=O)O)C=C1 13897 [0,2,0,0,0,0|2,0,0]=4 341 B13R1.132 CC1=CC=C([C@@H](N)CC(=O)O)C=C1 24070 [0,2,0,0,0,0|2,0,0]=4 342 B13R1.132 CC1=CC=C([C@H](N)CC(=O)O)C=C1 14199 [0,2,0,0,0,0|2,0,0]=4 343 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 14764 [0,2,0,0,0,0|2,0,0]=4 344 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 13896 [0,2,0,0,0,0|2,0,0]=4 345 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 17337 [0,2,0,0,0,0|2,0,0]=4 346 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 17328 [0,2,0,0,0,0|2,0,0]=4 347 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 17305 [0,2,0,0,0,0|2,0,0]=4 348 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 24048 [0,2,0,0,0,0|2,0,0]=4 349 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Br)C=C1 20482 [0,2,0,0,0,0|2,0,0]=4 350 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 14200 [0,2,0,0,0,0|2,0,0]=4 351 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(F)C=C1 17300 [0,2,0,0,0,0|2,0,0]=4 352 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(O)C=C1 13971 [0,2,0,0,0,0|2,0,0]=4 353 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(O)C=C1 24046 [0,2,0,0,0,0|2,0,0]=4 354 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29803 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 29802 [0,2,0,0,0,0|2,0,0]=4 356 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 14882 [0,2,0,0,0,0|2,0,0]=4 357 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O 14881 [0,2,0,0,0,0|2,0,0]=4 358 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O 19059 [0,2,0,0,0,0|2,0,0]=4 359 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29898 [0,2,0,0,0,0|2,0,0]=4 360 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 12019 [0,2,0,0,0,0|2,0,0]=4 361 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 13161 [0,2,0,0,0,0|2,0,0]=4 362 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 18012 [0,2,0,0,0,0|2,0,0]=4 363 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 17995 [0,2,0,0,0,0|2,0,0]=4 364 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 23297 [0,2,0,0,0,0|2,0,0]=4 365 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17502 [0,2,0,0,0,0|2,0,0]=4 366 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17965 [0,2,0,0,0,0|2,0,0]=4 367 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 12040 [0,2,0,0,0,0|2,0,0]=4 368 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 14347 [0,2,0,0,0,0|2,0,0]=4 369 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)[O-] 35571 [0,2,0,0,0,0|2,0,0]=4 370 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 18011 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 23285 [0,2,0,0,0,0|2,0,0]=4 372 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 12305 [0,2,0,0,0,0|2,0,0]=4 373 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 23298 [0,2,0,0,0,0|2,0,0]=4 374 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O 12021 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O 18647 [0,2,0,0,0,0|2,0,0]=4 376 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 13030 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(F)C=C1 19256 [0,2,0,0,0,0|2,0,0]=4 378 B13R1.511 CC1=C(C)C=C(CCC(=O)Cl)C=C1 25725 [0,2,0,0,0,0|2,0,0]=4 379 B13R1.511 CC1=C(C)C=C(CCC(=O)O)C=C1 25724 [0,2,0,0,0,0|2,0,0]=4 380 B13R1.511 NC1=C(Br)C=CC(CCC(=O)O)=C1 22866 [0,2,0,0,0,0|2,0,0]=4 381 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 35050 [0,2,0,0,0,0|2,0,0]=4 382 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 22930 [0,2,0,0,0,0|1,0,0]=3 383 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 35755 [0,2,0,0,0,0|1,0,0]=3 384 B13R1.15 COC(=O)CCC1=CC(Br)=CC=C1 28883 [0,2,0,0,0,0|1,0,0]=3 385 B13R1.15 COC(=O)\C=C\c1cccc(Br)c1 27528 [0,2,0,0,0,0|1,0,1]=4 386 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 20207 [0,2,0,0,0,0|0,0,1]=3 387 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 29017 [0,2,0,0,0,0|1,0,0]=3 388 B13R1.42 CCOC(=O)COC1=CC=CC=C1 12485 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 10853 [0,2,0,0,0,0|2,0,0]=4 390 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 12070 [0,2,0,0,0,0|0,0,0]=2 391 B13R1.135 COC(=O)C(O)Cc1ccccc1 23902 [0,2,0,0,0,0|1,0,0]=3 392 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 10882 [0,2,0,0,0,0|1,0,0]=3 393 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 6055 [0,2,0,0,0,0|1,0,0]=3 394 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 10883 [0,2,0,0,0,0|1,0,0]=3 395 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 14742 [0,2,0,0,0,0|1,0,0]=3 396 B13R1.135 N[C@H](Cc1ccccc1)C(=O)CCl 11515 [0,2,0,0,0,0|1,0,0]=3 397 B13R1.417 OCC(CO)OCC1=CC=CC=C1 22296 [0,2,0,0,0,0|0,0,2]=4 398 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 28882 [0,2,0,0,0,0|1,0,0]=3 399 B13R1.148 CC1=CC(C[C@@H](N)C(=O)O)=CC=C1 18697 [0,2,0,0,0,0|2,0,0]=4 400 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CC=C1 18698 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O 19382 [0,2,0,0,0,0|2,0,0]=4 402 B13R1.148 NC1=CC=CC(C[C@@H](N)C(=O)O)=C1 30184 [0,2,0,0,0,0|2,0,0]=4 403 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 30186 [0,2,0,0,0,0|2,0,0]=4 404 B13R1.148 N[C@@H](CC1=CC(Br)=CC=C1)C(=O)O 18010 [0,2,0,0,0,0|2,0,0]=4 405 B13R1.148 N[C@@H](CC1=CC(Br)=CC=C1)C(=O)O 18643 [0,2,0,0,0,0|2,0,0]=4 406 B13R1.148 N[C@@H](CC1=CC(Cl)=CC=C1)C(=O)O 11978 [0,2,0,0,0,0|2,0,0]=4 407 B13R1.148 N[C@@H](CC1=CC(Cl)=CC=C1)C(=O)O 17992 [0,2,0,0,0,0|2,0,0]=4 408 B13R1.148 N[C@@H](CC1=CC(F)=CC=C1)C(=O)O 17964 [0,2,0,0,0,0|2,0,0]=4 409 B13R1.148 N[C@H](CC1=CC(Br)=CC=C1)C(=O)O 18009 [0,2,0,0,0,0|2,0,0]=4 410 B13R1.148 N[C@H](CC1=CC(Br)=CC=C1)C(=O)O 24700 [0,2,0,0,0,0|2,0,0]=4 411 B13R1.148 N[C@H](CC1=CC(Cl)=CC=C1)C(=O)O 11977 [0,2,0,0,0,0|2,0,0]=4 412 B13R1.148 N[C@H](CC1=CC(F)=CC=C1)C(=O)O 17963 [0,2,0,0,0,0|2,0,0]=4 413 B13R1.152 CC(=O)C(C)C(=O)C1=CC=CC=C1 25323 [0,2,0,0,0,0|1,0,1]=4 414 B13R1.152 NC(C1=CC=CC=C1)C(O)C(=O)O 24507 [0,2,0,0,0,0|2,0,0]=4 415 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O 9698 [0,2,0,0,0,0|2,0,0]=4 416 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@H](O)C(=O)O 24501 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O 24505 [0,2,0,0,0,0|2,0,0]=4 418 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O 24504 [0,2,0,0,0,0|2,0,0]=4 419 B13R1.202 CC1=C(C[C@@H](N)C(=O)O)C=CC=C1 29793 [0,2,0,0,0,0|2,0,0]=4 420 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 29792 [0,2,0,0,0,0|2,0,0]=4 421 B13R1.202 NC1=C(C[C@@H](N)C(=O)O)C=CC=C1 30192 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O 18007 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O 11960 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O 29772 [0,2,0,0,0,0|2,0,0]=4 425 B13R1.202 N[C@H](CC1=C(Br)C=CC=C1)C(=O)O 17997 [0,2,0,0,0,0|2,0,0]=4 426 B13R1.202 N[C@H](CC1=C(Cl)C=CC=C1)C(=O)O 11958 [0,2,0,0,0,0|2,0,0]=4 427 B13R1.202 N[C@H](CC1=C(Cl)C=CC=C1)C(=O)O 17991 [0,2,0,0,0,0|2,0,0]=4 428 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O 23304 [0,2,0,0,0,0|2,0,0]=4 429 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O 29773 [0,2,0,0,0,0|2,0,0]=4 430 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O 22317 [0,2,0,0,0,0|2,0,0]=4 431 B13R1.1073 C[C@@](N)(Cc1ccccc1)C(=O)O 29931 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.1073 C[C@](N)(Cc1ccccc1)C(=O)O 29930 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.147 CC1=CC=CC([C@@H](N)CC(=O)O)=C1 29987 [0,2,0,0,0,0|2,0,0]=4 434 B13R1.147 CC1=CC=CC([C@H](N)CC(=O)O)=C1 30024 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.147 NC(CC(=O)O)C1=CC(Br)=CC=C1 14762 [0,2,0,0,0,0|2,0,0]=4 436 B13R1.147 NC(CC(=O)O)C1=CC(F)=CC=C1 14472 [0,2,0,0,0,0|2,0,0]=4 437 B13R1.147 N[C@@H](CC(=O)O)C1=CC(Br)=CC=C1 17333 [0,2,0,0,0,0|2,0,0]=4 438 B13R1.147 N[C@@H](CC(=O)O)C1=CC(Cl)=CC=C1 29980 [0,2,0,0,0,0|2,0,0]=4 439 B13R1.147 N[C@@H](CC(=O)O)C1=CC(F)=CC=C1 29979 [0,2,0,0,0,0|2,0,0]=4 440 B13R1.147 N[C@@H](CC(=O)O)C1=CC(O)=CC=C1 24050 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.147 N[C@H](CC(=O)O)C1=CC(Cl)=CC=C1 14197 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.201 CC1=C([C@H](N)CC(=O)O)C=CC=C1 30197 [0,2,0,0,0,0|2,0,0]=4 443 B13R1.201 NC(CC(=O)O)C1=C(Cl)C=CC=C1 13916 [0,2,0,0,0,0|2,0,0]=4 444 B13R1.201 N[C@@H](CC(=O)O)C1=C(Br)C=CC=C1 17332 [0,2,0,0,0,0|2,0,0]=4 445 B13R1.201 N[C@@H](CC(=O)O)C1=C(Br)C=CC=C1 30245 [0,2,0,0,0,0|2,0,0]=4 446 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 29989 [0,2,0,0,0,0|2,0,0]=4 447 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 17299 [0,2,0,0,0,0|2,0,0]=4 448 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 24059 [0,2,0,0,0,0|2,0,0]=4 449 B13R1.201 N[C@H](CC(=O)O)C1=C(Br)C=CC=C1 30201 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.201 N[C@H](CC(=O)O)C1=C(Cl)C=CC=C1 29988 [0,2,0,0,0,0|2,0,0]=4 451 B13R1.201 N[C@H](CC(=O)O)C1=C(F)C=CC=C1 17296 [0,2,0,0,0,0|2,0,0]=4 452 B13R1.201 N[C@H](CC(=O)O)C1=C(O)C=CC=C1 24058 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 14505 [0,2,0,0,0,0|2,0,0]=4 454 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 32349 [0,2,0,0,0,0|2,0,0]=4 455 B13R1.713 NC[C@@H](CC(=O)O)C1=CC=CC=C1 18290 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 18289 [0,2,0,0,0,0|2,0,0]=4 457 B13R1.3420 O=C(O)CCC1=CC(F)=CC(F)=C1 26668 [0,2,0,0,0,0|2,0,0]=4 458 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [1,0,0,1,0,0|1,0,0]=3 459 B11R2.1 CC1=CNC2=CC=CC=C12 7505 [1,0,0,1,0,0|2,0,0]=4 460 B11R2.1 CC1=CSC2=C1C=CC=C2 13547 [1,0,0,1,0,0|2,0,0]=4 461 B11R2.1 CC1=NNC2=CC=CC=C21 7820 [1,0,0,1,0,0|2,0,0]=4 462 B11R2.1 NC1=NCc2ccccc21 31698 [1,0,0,1,0,0|2,0,0]=4 463 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [1,0,0,1,0,0|1,0,0]=3 464 B11R2.1 O=C1CCc2ncccc21 26187 [1,0,0,1,0,0|2,0,0]=4 465 B11R2.1 O=C1COC2=C1C=CC=C2 7023 [1,0,0,1,0,0|2,0,0]=4 466 B11R2.1 O=C1CSC2=C1C=CC=C2 23797 [1,0,0,1,0,0|2,0,0]=4 467 B11R2.1 O=C1NCC2=CC=CC=C12 25108 [1,0,0,1,0,0|1,0,0]=3 468 B11R2.1 O=C1NNC2=CC=CC=C12 28083 [1,0,0,1,0,0|2,0,0]=4 469 B11R2.1 O=C1NSC2=C1C=CC=C2 15685 [1,0,0,1,0,0|2,0,0]=4 470 B11R2.1 O=C1OCC2=CC=CC=C12 22169 [1,0,0,1,0,0|0,0,0]=2 471 B11R2.1 O=C1SSC2=C1C=CC=C2 32197 [1,0,0,1,0,0|1,1,0]=4 472 B11R2.4 CC1CC1C2=CC=CC=C2 3150 [1,0,0,1,0,0|1,0,1]=4 473 B11R2.20 C1=CC2=C(C=C1)COCC2 20553 [1,0,0,1,0,0|0,0,1]=3 474 B11R2.20 C1=CC=C2CNCCC2=C1 7253 [1,0,0,1,0,0|1,0,1]=4 475 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 20894 [1,0,0,1,0,0|2,0,0]=4 476 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 13460 [0,0,0,1,1,0|1,0,1]=4 477 B11R2.10 BrC1=CC2=CC=CC=C2C1 9657 [0,0,0,1,1,0|1,0,1]=4 478 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 33485 [0,0,0,1,1,0|2,0,0]=4 479 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [0,0,0,1,1,0|1,0,0]=3 480 B11R2.10 CC1=CC2=CC=CC=C2N1 7504 [0,0,0,1,1,0|1,0,1]=4 481 B11R2.10 CC1=NC2=C(C=CC=C2)N1 7540 [0,0,0,1,1,0|2,0,0]=4 482 B11R2.10 CC1=NC2=C(C=CC=C2)O1 8631 [0,0,0,1,1,0|1,0,0]=3 483 B11R2.10 CC1=NC2=C(C=CC=C2)S1 10877 [0,0,0,1,1,0|1,1,0]=4 484 B11R2.10 CC1CC2=CC=CC=C2N1 7439 [0,0,0,1,1,0|1,0,1]=4 485 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 21885 [0,0,0,1,1,0|2,0,0]=4 486 B11R2.10 NC1=NC2=C(C=CC=C2)O1 17695 [0,0,0,1,1,0|2,0,0]=4 487 B11R2.10 NC1CC2=CC=CC=C2C1 12929 [0,0,0,1,1,0|1,0,1]=4 488 B11R2.10 NN1CC2=CC=CC=C2C1 27745 [0,0,0,1,1,0|2,0,0]=4 489 B11R2.10 O=C1CC2=C(C=CC=C2)O1 22170 [0,0,0,1,1,0|0,0,0]=2 490 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [0,0,0,1,1,0|0,0,0]=2 491 B11R2.10 O=C1CC2=CC=CC=C2N1 7177 [0,0,0,1,1,0|1,0,0]=3 492 B11R2.10 O=C1CC2=CC=CN=C2N1 35309 [0,0,0,1,1,0|2,0,0]=4 493 B11R2.10 O=C1CC2=CC=NC=C2N1 17713 [0,0,0,1,1,0|2,0,0]=4 494 B11R2.10 O=C1CN2C=CC=CC2=N1 23698 [0,0,0,1,1,0|2,0,0]=4 495 B11R2.10 O=C1CN2C=CC=CC2=N1 23703 [0,0,0,1,1,0|2,0,0]=4 496 B11R2.10 O=C1NC2=C(C=CC=C2)O1 8633 [0,0,0,1,1,0|1,0,0]=3 497 B11R2.10 O=C1NC2=C(C=CC=C2)S1 21831 [0,0,0,1,1,0|1,1,0]=4 498 B11R2.10 O=C1NC2=NC=CC=C2O1 11061 [0,0,0,1,1,0|2,0,0]=4 499 B11R2.10 OC1CC2=CC=CC=C2C1 9652 [0,0,0,1,1,0|0,0,2]=4 500 B11R2.10 SC1=NC2=C(C=CC=C2)O1 8630 [0,0,0,1,1,0|1,1,0]=4 501 B13R2.10 CC1=NOC(C2=CC=CC=C2)=C1 15568 [0,0,0,1,0,1|1,0,1]=4 502 B13R2.10 O=C1N[C@@H](c2ccccc2)CO1 6076 [0,0,0,1,0,1|1,0,0]=3 503 B13R2.10 O=C1N[C@H](c2ccccc2)CO1 6077 [0,0,0,1,0,1|1,0,0]=3 504 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 7305 [0,0,0,1,0,1|1,0,1]=4 505 B13R2.72 CC(=O)C1=NNC2=CC=CC=C21 11851 [0,0,0,1,0,1|2,0,0]=4 506 B13R2.72 CC(=O)N1C=CC2=CC=CC=C21 7306 [0,0,0,1,0,1|1,0,1]=4 507 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 7307 [0,0,0,1,0,1|1,0,0]=3 508 B13R2.72 O=C(O)C1=CCC2=CC=CC=C21 35527 [0,0,0,1,0,1|2,0,0]=4 509 B13R2.72 O=C(O)C1CNC2=CC=CC=C21 7283 [0,0,0,1,0,1|2,0,0]=4 510 B13R2.423 O=C(Cl)[C@@H]1C[C@H]1C2=CC=CC=C2 16222 [0,0,0,1,0,1|2,0,0]=4 511 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 22341 [0,0,0,1,0,1|2,0,0]=4 512 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 22384 [0,0,0,1,0,1|0,0,2]=4 513 B13R2.2382 c1ccc(COC[C@@H]2CO2)cc1 5855 [0,0,0,1,0,1|0,0,2]=4 514 B13R2.2382 c1ccc(COC[C@H]2CO2)cc1 5849 [0,0,0,1,0,1|0,0,2]=4 515 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 19778 [0,1,0,1,0,0|2,0,0]=4 516 B13R2.155 O=C1CCC2=CC=C(Br)C=C2C1 18150 [0,1,0,1,0,0|1,0,0]=3 517 B13R2.155 O=C1CCC2=CC=C(Cl)C=C2C1 18149 [0,1,0,1,0,0|1,0,0]=3 518 B13R2.155 O=C1CCC2=CC=C(Cl)C=C2N1 25678 [0,1,0,1,0,0|2,0,0]=4 519 B13R2.155 O=C1CCC2=CC=C(F)C=C2C1 18147 [0,1,0,1,0,0|1,0,0]=3 520 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 14908 [0,1,0,1,0,0|2,0,0]=4 521 B13R2.155 O=C1COC2=CC=C(Br)C=C2C1 18399 [0,1,0,1,0,0|2,0,0]=4 522 B13R2.155 O=C1COC2=CC=C(Cl)C=C2C1 18387 [0,1,0,1,0,0|2,0,0]=4 523 B13R2.155 O=C1COC2=CC=C(F)C=C2C1 18379 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 15912 [0,1,0,1,0,0|1,0,1]=4 525 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 27598 [0,1,0,1,0,0|1,0,0]=3 526 B13R2.373 O=C1NC(C2=CC=CC=C2)C1O 24548 [0,1,0,1,0,0|1,0,0]=3 527 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@@H]1O 24545 [0,1,0,1,0,0|1,0,0]=3 528 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O 24544 [0,1,0,1,0,0|1,0,0]=3 529 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@@H]1O 24546 [0,1,0,1,0,0|1,0,0]=3 530 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@H]1O 24547 [0,1,0,1,0,0|1,0,0]=3 531 B13R2.369 NC1CC2=CC=CC=C2NC1=O 17875 [0,1,0,1,0,0|2,0,0]=4 532 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 6959 [0,1,0,1,0,0|1,0,1]=4 533 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 9425 [0,1,0,1,0,0|1,0,1]=4 534 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 7586 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 9409 [0,1,0,1,0,0|2,0,0]=4 536 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 3035 [0,1,0,1,0,0|2,0,0]=4 537 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 6053 [0,1,0,1,0,0|2,0,0]=4 538 B13R2.435 O=C(O)[C@H]1CC2=CC=CC=C2N1 20604 [0,1,0,1,0,0|2,0,0]=4 539 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 13599 [0,1,0,1,0,0|1,0,1]=4 540 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2C1 17236 [0,1,0,1,0,0|1,0,0]=3 541 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 17936 [0,1,0,1,0,0|1,0,0]=3 542 B13R2.5179 O=C1CCC2=C(F)C=CC=C2C1 17935 [0,1,0,1,0,0|1,0,0]=3 543 B13R2.5179 O=C1CCC2=C(I)C=CC=C2C1 17938 [0,1,0,1,0,0|1,0,0]=3 544 B13R2.5179 O=C1CCC2=C(O)C=CC=C2N1 24134 [0,1,0,1,0,0|2,0,0]=4 545 B13R2.5179 O=C1COC2=C(Br)C=CC=C2C1 18173 [0,1,0,1,0,0|2,0,0]=4 546 B13R2.151 O=C1CC(C2=CC(Br)=CC=C2)C1 11022 [0,1,0,1,0,0|1,0,0]=3 547 B13R2.162 NC1=C2CC(=O)CCC2=CC=C1 19266 [0,1,0,1,0,0|1,0,0]=3 548 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 17944 [0,1,0,1,0,0|1,0,0]=3 549 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2C1 17943 [0,1,0,1,0,0|1,0,0]=3 550 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 17942 [0,1,0,1,0,0|1,0,0]=3 551 B13R2.162 O=C1CCC2=CC=CC(I)=C2C1 17945 [0,1,0,1,0,0|1,0,0]=3 552 B13R2.162 O=C1CCC2=CC=CC(O)=C2C1 16050 [0,1,0,1,0,0|1,0,0]=3 553 B13R2.162 O=C1COC2=CC=CC(Br)=C2C1 18371 [0,1,0,1,0,0|2,0,0]=4 554 B13R2.162 O=C1COC2=CC=CC(Cl)=C2C1 18193 [0,1,0,1,0,0|2,0,0]=4 555 B13R2.3683 CC1=CC=C2CC(=O)CCC2=C1 26065 [0,1,0,1,0,0|1,0,0]=3 556 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2C1 16126 [0,1,0,1,0,0|1,0,0]=3 557 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 17577 [0,1,0,1,0,0|2,0,0]=4 558 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 34522 [0,1,0,1,0,0|2,0,0]=4 559 B13R2.3683 O=C1CCC2=CC(Cl)=CC=C2C1 17950 [0,1,0,1,0,0|1,0,0]=3 560 B13R2.3683 O=C1CCC2=CC(F)=CC=C2C1 17949 [0,1,0,1,0,0|1,0,0]=3 561 B13R2.3683 O=C1CCC2=CC(F)=CC=C2N1 27931 [0,1,0,1,0,0|2,0,0]=4 562 B13R2.3683 O=C1CCC2=CC(I)=CC=C2C1 17952 [0,1,0,1,0,0|1,0,0]=3 563 B13R2.3683 O=C1CCc2cc(O)ccc2N1 5863 [0,1,0,1,0,0|2,0,0]=4 564 B13R2.3683 O=C1COC2=CC(Br)=CC=C2C1 18376 [0,1,0,1,0,0|2,0,0]=4 565 B13R2.3683 O=C1COC2=CC(Cl)=CC=C2C1 18375 [0,1,0,1,0,0|2,0,0]=4 566 B13R2.3683 O=C1COC2=CC(F)=CC=C2C1 18374 [0,1,0,1,0,0|2,0,0]=4 567 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)CO1 29214 [0,1,0,1,0,0|1,0,0]=3 568 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [0,0,0,0,2,0|1,0,0]=3 569 B9R1.6 CC(=O)C1=CC=CN=N1 16091 [0,0,0,0,2,0|2,0,0]=4 570 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [0,0,0,0,2,0|1,0,0]=3 571 B9R1.6 CC(=O)C1=CN=CN=C1 13185 [0,0,0,0,2,0|2,0,0]=4 572 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [0,0,0,0,2,0|1,0,0]=3 573 B9R1.6 CC(=O)C1=NC=CC=N1 19777 [0,0,0,0,2,0|2,0,0]=4 574 B9R1.6 CC(=O)C1=NC=CN=C1 8542 [0,0,0,0,2,0|2,0,0]=4 575 B9R1.6 CC(=O)C1=NC=NC=C1 33412 [0,0,0,0,2,0|2,0,0]=4 576 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [0,0,0,0,2,0|1,0,1]=4 577 B9R1.6 CC(N)C1=CC=CC=C1 21079 [0,0,0,0,2,0|1,0,1]=4 578 B9R1.6 CP(C)C1=CC=CC=C1 6420 [0,0,0,0,2,0|2,0,0]=4 579 B9R1.6 C[C@@H](N)c1ccccc1 6026 [0,0,0,0,2,0|1,0,1]=4 580 B9R1.6 C[C@@H](N)c1ccccc1 6060 [0,0,0,0,2,0|1,0,1]=4 581 B9R1.6 C[C@@H](N)c1ccccc1 9918 [0,0,0,0,2,0|1,0,1]=4 582 B9R1.6 C[C@@H](O)c1ccccc1 6851 [0,0,0,0,2,0|0,0,2]=4 583 B9R1.6 C[C@H](N)c1ccccc1 6025 [0,0,0,0,2,0|1,0,1]=4 584 B9R1.6 C[C@H](N)c1ccccc1 6061 [0,0,0,0,2,0|1,0,1]=4 585 B9R1.6 C[C@H](O)c1ccccc1 6858 [0,0,0,0,2,0|0,0,2]=4 586 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [0,0,0,0,2,0|2,0,0]=4 587 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [0,0,0,0,2,0|1,1,0]=4 588 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [0,0,0,0,2,0|1,1,0]=4 589 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [0,0,0,0,2,0|1,0,0]=3 590 B9R1.6 O=C(Cl)C1=CC=NC=C1 23974 [0,0,0,0,2,0|2,0,0]=4 591 B9R1.6 O=C(Cl)C1=CN=CC=C1 15186 [0,0,0,0,2,0|2,0,0]=4 592 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [0,0,0,0,2,0|2,0,0]=4 593 B9R1.6 O=C(O)C1=CC=NC=C1 2595 [0,0,0,0,2,0|2,0,0]=4 594 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [0,0,0,0,2,0|2,0,0]=4 595 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [0,0,0,0,2,0|2,0,0]=4 596 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [0,0,0,0,2,0|2,0,0]=4 597 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [0,0,0,0,2,0|1,0,1]=4 598 B9R1.13 CC(=O)NC1=CC=CS1 5216 [0,0,0,0,2,0|2,0,0]=4 599 B9R1.13 O=C(Cl)CC1=CC=CS1 5578 [0,0,0,0,2,0|2,0,0]=4 600 B9R1.13 O=C(O)CC1=CC=CO1 17310 [0,0,0,0,2,0|2,0,0]=4 601 B9R1.13 O=C(O)CC1=CC=CS1 5168 [0,0,0,0,2,0|2,0,0]=4 602 B9R1.13 O=C(O)CC1=CSC=C1 5586 [0,0,0,0,2,0|2,0,0]=4 603 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 34454 [0,0,0,0,0,2|1,0,0]=3 604 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 12833 [0,0,0,0,0,2|1,1,0]=4