0 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.40 NNC(=S)NC1=CC=CC=C1 10747 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.40 O=C(CF)NC1=CC=CC=C1 3369 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.17 C=CCOC1=CC=CC=C1 29359 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.17 C=COCC1=CC=CC=C1 36172 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.17 N#C\C=C\C1=CC=CC=C1 20433 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.17 O=C\C=C\C1=CC=CC=C1 24958 [1,0,0,0,0,0|0,0,0]=1 8 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.18 CC(=O)NC1=CN=CN=C1 25070 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [1,0,0,0,0,0|0,0,3]=4 14 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [1,0,0,0,0,0|2,1,0]=4 15 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [1,0,0,0,0,0|1,0,2]=4 22 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 20242 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 17496 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.43 CC(CC1=CC=CC=C1)[N+](=O)[O-] 35813 [0,1,0,0,0,0|1,0,2]=4 25 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 16952 [0,1,0,0,0,0|1,0,1]=3 26 B12R1.43 C[C@@H](NC1=NC=CC=C1)C(=O)O 5694 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 8190 [0,1,0,0,0,0|0,0,0]=1 28 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 20603 [0,1,0,0,0,0|1,0,2]=4 29 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19011 [0,1,0,0,0,0|1,0,2]=4 30 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 2375 [0,1,0,0,0,0|1,0,2]=4 31 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 11004 [0,1,0,0,0,0|1,0,2]=4 32 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 18595 [0,1,0,0,0,0|1,0,2]=4 33 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 10975 [0,1,0,0,0,0|1,0,2]=4 34 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 10725 [0,1,0,0,0,0|1,0,2]=4 35 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 6413 [0,1,0,0,0,0|1,0,2]=4 36 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 6414 [0,1,0,0,0,0|1,0,2]=4 37 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 25681 [0,1,0,0,0,0|3,0,0]=4 38 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 7334 [0,0,0,1,0,0|2,0,0]=3 39 B12R2.18 CC1=CC2=CC=CC=C2N1C 7333 [0,0,0,1,0,0|2,0,0]=3 40 B12R2.18 CC1CC2=CC=CC=C2C1=O 2387 [0,0,0,1,0,0|0,0,2]=3 41 B12R2.18 CN1NC2=CC=CC=C2C1=O 27652 [0,0,0,1,0,0|2,0,0]=3 42 B12R2.18 CN1SC2=C(C=CC=C2)C1=O 29423 [0,0,0,1,0,0|2,0,0]=3 43 B12R2.18 O=C1C2=CC=CC=C2CC1Br 8852 [0,0,0,1,0,0|1,0,2]=4 44 B12R2.18 O=C1NC2=CC=CC=C2C1=O 13609 [0,0,0,1,0,0|2,0,0]=3 45 B12R2.18 O=C1NC2=NC=CC=C2C1=O 26690 [0,0,0,1,0,0|3,0,0]=4 46 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 9426 [0,0,0,1,0,0|2,0,0]=3 47 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 20629 [0,0,0,1,0,0|3,0,0]=4 48 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 5814 [0,0,0,1,0,0|2,0,0]=3 49 B12R2.24 BrC1=CC2=CC=CN=C2N=C1 33544 [0,0,0,1,0,0|3,0,0]=4 50 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 22963 [0,0,0,1,0,0|3,0,0]=4 51 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 12788 [0,0,0,1,0,0|3,0,0]=4 52 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 12736 [0,0,0,1,0,0|3,0,0]=4 53 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 17031 [0,0,0,1,0,0|3,0,0]=4 54 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 2374 [0,0,0,1,0,0|3,0,0]=4 55 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 21827 [0,0,0,1,0,0|3,0,0]=4 56 B12R2.24 CC1=CC2=CC=CC=C2N=C1 2344 [0,0,0,1,0,0|1,0,0]=2 57 B12R2.24 CC1=CC=C2C=CC=NC2=C1 5811 [0,0,0,1,0,0|2,0,0]=3 58 B12R2.24 CC1=CC=C2C=NC=CC2=C1 6210 [0,0,0,1,0,0|2,0,0]=3 59 B12R2.24 CC1=CC=C2N=CC=CC2=C1 5807 [0,0,0,1,0,0|2,0,0]=3 60 B12R2.24 CC1=NC2=C(C=CC=C2)N=N1 24093 [0,0,0,1,0,0|3,0,0]=4 61 B12R2.24 CC1=NC2=CC=CC=C2C=C1 5809 [0,0,0,1,0,0|2,0,0]=3 62 B12R2.24 CC1=NC2=NC=CC=C2C=C1 13904 [0,0,0,1,0,0|3,0,0]=4 63 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 9464 [0,0,0,1,0,0|2,0,0]=3 64 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 6215 [0,0,0,1,0,0|3,0,0]=4 65 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 14555 [0,0,0,1,0,0|2,0,0]=3 66 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 19899 [0,0,0,1,0,0|3,0,0]=4 67 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 5813 [0,0,0,1,0,0|3,0,0]=4 68 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 7580 [0,0,0,1,0,0|3,0,0]=4 69 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 15447 [0,0,0,1,0,0|3,0,0]=4 70 B12R2.24 FC1=CC2=CC=CC=C2C=C1 19886 [0,0,0,1,0,0|2,0,0]=3 71 B12R2.24 FC1=CC=C2C=NC=CC2=C1 27896 [0,0,0,1,0,0|3,0,0]=4 72 B12R2.24 FC1=CC=C2N=CC=CC2=C1 36233 [0,0,0,1,0,0|3,0,0]=4 73 B12R2.24 IC1=CC=C2N=CC=CC2=C1 23785 [0,0,0,1,0,0|3,0,0]=4 74 B12R2.24 IC1=NC2=CC=CC=C2C=C1 24681 [0,0,0,1,0,0|3,0,0]=4 75 B12R2.24 NC1=CC2=CC=CC=C2C=C1 23236 [0,0,0,1,0,0|2,0,0]=3 76 B12R2.24 NC1=CC2=CC=CC=C2C=N1 6217 [0,0,0,1,0,0|3,0,0]=4 77 B12R2.24 NC1=CC2=CC=CC=C2N=C1 12769 [0,0,0,1,0,0|2,0,0]=3 78 B12R2.24 NC1=CC2=NC=CC=C2N=C1 27125 [0,0,0,1,0,0|3,0,0]=4 79 B12R2.24 NC1=CC=C2C=CC=NC2=C1 12786 [0,0,0,1,0,0|3,0,0]=4 80 B12R2.24 NC1=CC=C2C=CN=CC2=C1 12737 [0,0,0,1,0,0|3,0,0]=4 81 B12R2.24 NC1=CC=C2C=NC=CC2=C1 34666 [0,0,0,1,0,0|3,0,0]=4 82 B12R2.24 NC1=CC=C2N=CC=CC2=C1 24732 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.24 NC1=NC2=CC=CC=C2C=C1 5818 [0,0,0,1,0,0|3,0,0]=4 84 B12R2.24 NC1=NC2=CC=CC=C2N=C1 15443 [0,0,0,1,0,0|3,0,0]=4 85 B12R2.24 O=C1C=CC2=CC=CC=C2O1 21620 [0,0,0,1,0,0|3,0,0]=4 86 B12R2.24 OC1=CC2=CC=CC=C2N=C1 12770 [0,0,0,1,0,0|2,0,0]=3 87 B12R2.24 OC1=CC=C2C=CC=NC2=C1 5841 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.24 OC1=CC=C2C=CN=CC2=C1 6264 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.24 OC1=CC=C2C=NC=CC2=C1 6260 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.24 OC1=CC=C2N=CC=CC2=C1 5840 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.24 OC1=NC2=CC=CC=C2N=C1 15472 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.24 SC1=CC2=CC=CC=C2C=C1 6833 [0,0,0,1,0,0|2,0,0]=3 93 B12R2.24 SC1=NC2=CC=CC=C2N=C1 15427 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.24 [O-][N+]1=CC2=CC=CC=C2C=C1 35439 [0,0,0,1,0,0|3,0,0]=4 95 B12R2.32 C=CC1=NC2=C(C=CC=C2)N1 8069 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.32 CCC1=CC2=CC=CC=C2C1 5396 [0,0,0,1,0,0|1,0,1]=3 97 B12R2.32 CCC1=CC2=CC=CC=C2N1 22566 [0,0,0,1,0,0|2,0,1]=4 98 B12R2.32 NCC1=CC2=CC=CC=C2N1 20289 [0,0,0,1,0,0|2,0,1]=4 99 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 7004 [0,0,0,1,0,0|1,0,0]=2 100 B12R2.32 O=CC1=CC2=CC=CC=C2N1 18050 [0,0,0,1,0,0|1,0,0]=2 101 B12R2.32 O=CC1=CC2=CC=NC=C2S1 33028 [0,0,0,1,0,0|2,0,0]=3 102 B12R2.32 O=CC1=CN2C=NC=CC2=N1 27911 [0,0,0,1,0,0|3,0,0]=4 103 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 7591 [0,0,0,1,0,0|2,0,0]=3 104 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 14482 [0,0,0,1,0,0|2,0,0]=3 105 B12R2.32 OCC1=CC2=C(C=CC=C2)O1 7021 [0,0,0,1,0,0|1,0,2]=4 106 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [0,0,0,0,1,0|2,0,0]=3 107 B10R1.15 C=CS(=O)C1=CC=CC=C1 15339 [0,0,0,0,1,0|3,0,0]=4 108 B10R1.15 CC(C#N)C1=CC=CC=C1 12511 [0,0,0,0,1,0|1,0,2]=4 109 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [0,0,0,0,1,0|1,0,2]=4 110 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [0,0,0,0,1,0|1,0,2]=4 111 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [0,0,0,0,1,0|1,0,2]=4 112 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [0,0,0,0,1,0|3,0,0]=4 113 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [0,0,0,0,1,0|2,0,1]=4 114 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [0,0,0,0,1,0|1,0,2]=4 115 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [0,0,0,0,1,0|2,0,1]=4 116 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [0,0,0,0,1,0|2,0,1]=4 117 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [0,0,0,0,1,0|2,0,1]=4 118 B10R1.15 NNC(=O)c1ccccc1 21535 [0,0,0,0,1,0|3,0,0]=4 119 B10R1.15 N\C(=N/O)C1=CC=CC=C1 12481 [0,0,0,0,1,0|2,0,1]=4 120 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [0,0,0,0,1,0|2,0,1]=4 121 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [0,0,0,0,1,0|2,0,1]=4 122 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [0,0,0,0,1,0|2,0,1]=4 123 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [0,0,0,0,1,0|1,0,2]=4 124 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 23442 [0,0,0,0,0,1|2,0,1]=4 125 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 8189 [0,0,0,0,0,1|3,0,0]=4 126 B9R1.8 C=CCC1=CC=CC=C1 29358 [2,0,0,0,0,0|0,0,1]=3 127 B9R1.8 C=CSC1=CC=CC=C1 10778 [2,0,0,0,0,0|1,0,0]=3 128 B9R1.8 CCCC1=CC=CC=C1 10852 [2,0,0,0,0,0|0,0,2]=4 129 B9R1.8 CCSC1=CC=CC=C1 10773 [2,0,0,0,0,0|1,0,1]=4 130 B9R1.8 CNCC1=CC=CC=C1 19910 [2,0,0,0,0,0|1,0,1]=4 131 B9R1.8 CNCC1=CC=CC=C1 25218 [2,0,0,0,0,0|1,0,1]=4 132 B9R1.8 CNCC1=CC=CC=C1 5801 [2,0,0,0,0,0|1,0,1]=4 133 B9R1.8 COCC1=CC=CC=C1 15300 [2,0,0,0,0,0|1,0,1]=4 134 B11R1.1 O=CCCC1=CC=C(F)C=C1 31590 [1,1,0,0,0,0|0,0,2]=4 135 B11R1.1 O=CCCC1=CC=C(O)C=C1 13990 [1,1,0,0,0,0|0,0,2]=4 136 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 11046 [1,1,0,0,0,0|0,0,0]=2 137 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 14016 [1,1,0,0,0,0|1,0,0]=3 138 B11R1.16 O=C=NC(=O)C1=CC=CC=C1 7575 [1,1,0,0,0,0|1,0,1]=4 139 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 24068 [1,1,0,0,0,0|0,0,2]=4 140 B11R1.17 O=CCCC1=C(F)C=CC=C1 31588 [1,1,0,0,0,0|0,0,2]=4 141 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [1,1,0,0,0,0|1,0,1]=4 142 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [1,1,0,0,0,0|1,0,1]=4 143 B11R1.91 CC(=O)NNC1=CC=CC=C1 7620 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.91 NC(=O)COC1=CC=CC=C1 12494 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.91 NC(=O)OCC1=CC=CC=C1 12421 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 11078 [1,1,0,0,0,0|0,0,0]=2 147 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 9173 [1,1,0,0,0,0|0,0,2]=4 148 B11R1.91 O=C(Cl)COC1=CC=CC=C1 30326 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 12079 [1,1,0,0,0,0|1,0,1]=4 150 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 25891 [1,1,0,0,0,0|0,0,0]=2 151 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 36191 [1,1,0,0,0,0|0,0,0]=2 152 B11R1.91 O=C(O)C#CC1=CC=CC=C1 13737 [1,1,0,0,0,0|0,0,2]=4 153 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [1,1,0,0,0,0|0,0,2]=4 154 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 13612 [1,1,0,0,0,0|0,0,0]=2 155 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 16731 [1,1,0,0,0,0|1,0,0]=3 156 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3816 [1,1,0,0,0,0|1,0,0]=3 157 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 9807 [1,1,0,0,0,0|1,0,0]=3 158 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 8142 [1,1,0,0,0,0|0,0,0]=2 159 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 34899 [1,1,0,0,0,0|1,0,0]=3 160 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 33530 [1,1,0,0,0,0|1,0,1]=4 161 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [1,1,0,0,0,0|0,0,1]=3 162 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [1,1,0,0,0,0|0,0,1]=3 163 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [1,1,0,0,0,0|0,0,1]=3 164 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [1,1,0,0,0,0|0,0,1]=3 165 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [1,1,0,0,0,0|1,0,0]=3 166 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 26262 [1,1,0,0,0,0|1,0,0]=3 167 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 3293 [1,1,0,0,0,0|1,0,0]=3 168 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 17726 [1,1,0,0,0,0|1,0,0]=3 169 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 6832 [1,1,0,0,0,0|1,0,0]=3 170 B11R1.20 CC(=O)NC1=CN=C(Br)C=C1 9474 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 5546 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 1298 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 1297 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 3061 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.20 FC(F)=CC1=CC=C(Br)C=C1 33252 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 17532 [1,1,0,0,0,0|1,0,1]=4 177 B11R1.20 Nc1ccc(CC(=O)O)cc1 22147 [1,1,0,0,0,0|1,0,1]=4 178 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 44721 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 17517 [1,1,0,0,0,0|1,0,1]=4 180 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 4246 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 4250 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 13432 [1,1,0,0,0,0|1,0,1]=4 183 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 19614 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 18835 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 22193 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 34915 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.20 O=C([O-])[ClH]C1=CC=C(Br)C=C1 28974 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.20 O=C([O-])[ClH]C1=CC=C(F)C=C1 28972 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 35902 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 34717 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 21081 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 7881 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 6079 [1,1,0,0,0,0|1,0,1]=4 194 B11R1.36 C[C@H](C(=O)O)c1ccccc1 6862 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 16346 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 19408 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 16811 [1,1,0,0,0,0|1,0,1]=4 198 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 11005 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.36 N[C@H](C(=O)O)c1ccccc1 23858 [1,1,0,0,0,0|1,0,1]=4 200 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 23388 [1,1,0,0,0,0|0,0,1]=3 204 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 28140 [1,1,0,0,0,0|0,0,1]=3 205 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 28149 [1,1,0,0,0,0|0,0,1]=3 206 B11R1.86 CC(=O)NC1=C(N)C=NC=C1 9601 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 3830 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.86 CC(=O)NC1=C(O)C=CN=C1 26792 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 26790 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.86 CC(=O)NC1=NC=CC=C1Br 25022 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.86 CC(=O)NC1=NC=CC=C1O 26791 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 3055 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 3059 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.86 CC(=O)OC1=C(I)C=CC=C1 3062 [1,1,0,0,0,0|1,0,0]=3 215 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 20124 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.86 CC1=C(CC(N)=O)C=CC=C1 17571 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 7214 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 16509 [1,1,0,0,0,0|1,0,1]=4 219 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 4164 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 2552 [1,1,0,0,0,0|1,0,1]=4 221 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20030 [1,1,0,0,0,0|1,0,1]=4 222 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 25423 [1,1,0,0,0,0|0,0,1]=3 223 B11R1.157 CC(=O)CC1=CC(Cl)=CC=C1 19805 [1,1,0,0,0,0|0,0,1]=3 224 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 35854 [1,1,0,0,0,0|0,0,1]=3 225 B11R1.157 CC(=O)NC1=CC(Br)=CN=C1 20022 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 3340 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.157 CC(=O)NC1=CC(C)=NC=C1 26051 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 12418 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.157 CC(=O)NC1=CC(I)=CC=C1 3291 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 3835 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.157 CC(=O)NC1=NC(Br)=CC=C1 25034 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.157 CC(=O)NC1=NC(C)=CC=C1 25032 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.157 CC(=O)NC1=NC=CC(C)=C1 16556 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.157 CC(=O)OC1=CC(Cl)=CC=C1 3057 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 3060 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 28872 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.157 FC(F)=CC1=CC=CC(Br)=C1 33253 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 1961 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 4244 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 16510 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 4167 [1,1,0,0,0,0|1,0,1]=4 242 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 4195 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 21773 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 22292 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.12 C\C=C(\C=O)C1=CC=CC=C1 10989 [0,1,0,0,1,0|0,0,0]=2 246 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 12114 [0,1,0,0,1,0|1,0,0]=3 247 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 12103 [0,1,0,0,1,0|1,0,0]=3 248 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 27268 [0,1,0,0,1,0|1,0,0]=3 249 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 12090 [0,1,0,0,1,0|1,0,0]=3 250 B11R1.22 O=CC(=O)C1=CC=C(F)C=C1 12088 [0,1,0,0,1,0|1,0,0]=3 251 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 12125 [0,1,0,0,1,0|1,0,0]=3 252 B11R1.23 O=CC(=O)C1=CC(Br)=CC=C1 12315 [0,1,0,0,1,0|1,0,0]=3 253 B11R1.23 O=CC(=O)C1=CC(Cl)=CC=C1 12320 [0,1,0,0,1,0|1,0,0]=3 254 B11R1.222 O=CC(=O)C1=CC=CCC1=S 12133 [0,1,0,0,1,0|1,0,1]=4 255 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O 36485 [0,1,0,0,0,1|0,0,2]=4 256 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 18755 [0,1,0,0,0,1|1,0,1]=4 257 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 35734 [0,2,0,0,0,0|1,0,1]=4 258 B13R1.348 CC(=O)\C=C(/C)NC1=CC=CC=C1 12811 [0,2,0,0,0,0|1,0,0]=3 259 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 25817 [0,2,0,0,0,0|2,0,0]=4 260 B13R1.152 CC(=O)C(C)C(=O)C1=CC=CC=C1 25323 [0,2,0,0,0,0|0,0,1]=3 261 B13R1.133 CC(NC1=CC=C(Br)C=C1)C(=O)O 35889 [0,2,0,0,0,0|1,0,1]=4 262 B13R1.133 C[C@@H](Oc1ccc(O)cc1)C(=O)O 13613 [0,2,0,0,0,0|1,0,1]=4 263 B13R1.148 CC(OC1=CC(Cl)=CC=C1)C(=O)O 27495 [0,2,0,0,0,0|1,0,1]=4 264 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O 22317 [0,2,0,0,0,0|0,0,2]=4 265 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O 35209 [0,2,0,0,0,0|1,0,1]=4 266 B13R1.1073 C[C@@](N)(Cc1ccccc1)C(=O)O 29931 [0,2,0,0,0,0|0,0,2]=4 267 B13R1.1073 C[C@](N)(Cc1ccccc1)C(=O)O 29930 [0,2,0,0,0,0|0,0,2]=4 268 B11R2.1 BrC1=CNC2=CC=CC=C12 11087 [1,0,0,1,0,0|2,0,0]=4 269 B11R2.1 BrC1=COC2=C1C=CC=C2 28021 [1,0,0,1,0,0|2,0,0]=4 270 B11R2.1 BrC1=CSC2=C1C=CC=C2 13106 [1,0,0,1,0,0|2,0,0]=4 271 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [1,0,0,1,0,0|1,0,1]=4 272 B11R2.1 CC1=CNC2=CC=CC=C12 7505 [1,0,0,1,0,0|2,0,0]=4 273 B11R2.1 CC1=CSC2=C1C=CC=C2 13547 [1,0,0,1,0,0|2,0,0]=4 274 B11R2.1 CC1C=CC2=CC=CC=C21 15080 [1,0,0,1,0,0|1,0,1]=4 275 B11R2.1 CN1C=CC2=CC=CC=C21 7436 [1,0,0,1,0,0|2,0,0]=4 276 B11R2.1 ClC1=CNC2=CC=CC=C12 25672 [1,0,0,1,0,0|2,0,0]=4 277 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [1,0,0,1,0,0|0,0,2]=4 278 B11R2.1 O=C1COC2=C1C=CC=C2 7023 [1,0,0,1,0,0|1,0,1]=4 279 B11R2.1 O=C1CSC2=C1C=CC=C2 23797 [1,0,0,1,0,0|1,0,1]=4 280 B11R2.1 O=C1NCC2=CC=CC=C12 25108 [1,0,0,1,0,0|1,0,1]=4 281 B11R2.1 O=C1NNC2=CC=CC=C12 28083 [1,0,0,1,0,0|2,0,0]=4 282 B11R2.1 O=C1NSC2=C1C=CC=C2 15685 [1,0,0,1,0,0|2,0,0]=4 283 B11R2.1 O=C1OCC2=CC=CC=C12 22169 [1,0,0,1,0,0|1,0,1]=4 284 B11R2.1 O=C1SSC2=C1C=CC=C2 32197 [1,0,0,1,0,0|2,0,0]=4 285 B11R2.1 OC1=CNC2=CC=CC=C12 7264 [1,0,0,1,0,0|1,0,1]=4 286 B11R2.20 C1=CC2=CN=CC=C2N=C1 18071 [1,0,0,1,0,0|2,0,0]=4 287 B11R2.20 C1=CC=C2C=NC=CC2=C1 7536 [1,0,0,1,0,0|2,0,0]=4 288 B11R2.20 C1=CN=C2C=CC=NC2=C1 18072 [1,0,0,1,0,0|2,0,0]=4 289 B11R2.20 C1=CN=C2N=CC=CC2=C1 16485 [1,0,0,1,0,0|2,0,0]=4 290 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 13460 [1,0,0,1,0,0|1,0,1]=4 291 B11R2.10 BrC1=CC2=CC=CC=C2C1 9657 [1,0,0,1,0,0|1,0,0]=3 292 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [1,0,0,1,0,0|0,0,1]=3 293 B11R2.10 CC1=CC2=CC=CC=C2N1 7504 [1,0,0,1,0,0|1,0,0]=3 294 B11R2.10 CC1=CN2C=CC=CC2=N1 27917 [1,0,0,1,0,0|2,0,0]=4 295 B11R2.10 CC1=NC2=C(C=CC=C2)N1 7540 [1,0,0,1,0,0|2,0,0]=4 296 B11R2.10 CC1=NC2=C(C=CC=C2)O1 8631 [1,0,0,1,0,0|1,0,1]=4 297 B11R2.10 CC1=NC2=C(C=CC=C2)S1 10877 [1,0,0,1,0,0|1,1,0]=4 298 B11R2.10 CN1C=C2C=CC=CC2=N1 15667 [1,0,0,1,0,0|2,0,0]=4 299 B11R2.10 O=C1CC2=C(C=CC=C2)O1 22170 [1,0,0,1,0,0|1,0,0]=3 300 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [1,0,0,1,0,0|0,0,1]=3 301 B11R2.10 O=C1CC2=CC=CC=C2N1 7177 [1,0,0,1,0,0|1,0,0]=3 302 B11R2.10 O=C1CC2=CC=CN=C2N1 35309 [1,0,0,1,0,0|2,0,0]=4 303 B11R2.10 O=C1CC2=CC=NC=C2N1 17713 [1,0,0,1,0,0|2,0,0]=4 304 B11R2.10 O=C1CN2C=CC=CC2=N1 23698 [1,0,0,1,0,0|2,0,0]=4 305 B11R2.10 O=C1CN2C=CC=CC2=N1 23703 [1,0,0,1,0,0|2,0,0]=4 306 B11R2.10 O=C1NC2=C(C=CC=C2)O1 8633 [1,0,0,1,0,0|2,0,0]=4 307 B11R2.10 O=C1NC2=C(C=CC=C2)S1 21831 [1,0,0,1,0,0|2,0,0]=4 308 B11R2.36 CC1=CC2=C(C=C1)OC=C2 28016 [0,0,0,1,1,0|2,0,0]=4 309 B11R2.36 CC1=CC2=C(C=CS2)C=C1 15767 [0,0,0,1,1,0|2,0,0]=4 310 B11R2.36 CC1=CC=C2C=CNC2=C1 7240 [0,0,0,1,1,0|2,0,0]=4 311 B11R2.36 CC1=CC=C2NC=CC2=C1 7238 [0,0,0,1,1,0|2,0,0]=4 312 B11R2.36 CC1=CN=C2NC=CC2=C1 27042 [0,0,0,1,1,0|2,0,0]=4 313 B13R2.10 BrC1=CN(C2=CC=CC=C2)N=C1 13291 [0,0,0,1,0,1|2,0,0]=4 314 B13R2.10 BrC1=CN=C(C2=CC=CC=C2)S1 24657 [0,0,0,1,0,1|2,0,0]=4 315 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 33678 [0,0,0,1,0,1|1,1,0]=4 316 B13R2.10 CC1=CN(C2=CC=CC=C2)N=C1 13268 [0,0,0,1,0,1|1,0,0]=3 317 B13R2.10 CC1=NOC(C2=CC=CC=C2)=C1 15568 [0,0,0,1,0,1|1,0,1]=4 318 B13R2.10 ClC1=CN(C2=CC=CC=C2)N=C1 13288 [0,0,0,1,0,1|2,0,0]=4 319 B13R2.10 IC1=CN(C2=CC=CC=C2)N=C1 13298 [0,0,0,1,0,1|2,0,0]=4 320 B13R2.32 CC1=C(Cl)C2=CC=CC=C2N=C1 22720 [0,0,0,1,0,1|1,0,0]=3 321 B13R2.32 FC1=C(Br)C=CC2=CC=CC=C21 13696 [0,0,0,1,0,1|2,0,0]=4 322 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 34401 [0,0,0,1,0,1|2,0,0]=4 323 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=N1 27750 [0,0,0,1,0,1|2,0,0]=4 324 B13R2.32 NC1=C(Br)C=NC2=CC=CC=C21 22813 [0,0,0,1,0,1|2,0,0]=4 325 B13R2.32 NC1=C(Cl)C2=CC=CC=C2N=C1 29729 [0,0,0,1,0,1|2,0,0]=4 326 B13R2.32 NC1=C(N)C2=CC=CC=C2C=C1 35202 [0,0,0,1,0,1|2,0,0]=4 327 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 22909 [0,0,0,1,0,1|2,0,0]=4 328 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 28186 [0,0,0,1,0,1|1,0,1]=4 329 B13R2.33 O=C1C=NC2=C(C=CC=C2)C=N1 2017 [0,0,0,1,0,1|2,0,0]=4 330 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 9471 [0,0,0,1,0,1|1,0,1]=4 331 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 9416 [0,0,0,1,0,1|0,0,1]=3 332 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 23838 [0,0,0,1,0,1|1,0,1]=4 333 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 10181 [0,0,0,1,0,1|1,0,1]=4 334 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 2277 [0,0,0,1,0,1|1,0,0]=3 335 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 21935 [0,0,0,1,0,1|1,0,0]=3 336 B13R2.57 O=CC1=NC2=NC=CC=C2C=C1 17894 [0,0,0,1,0,1|2,0,0]=4 337 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 27838 [0,1,0,1,0,0|2,0,0]=4 338 B13R2.26 CCCC1=CC2=CC=CC=C2C1 5403 [0,1,0,1,0,0|1,0,1]=4 339 B13R2.135 CC1=C(C=O)C2=CC=CC=C2N1 7437 [0,1,0,1,0,0|1,0,0]=3 340 B13R2.135 CC1=C(C=O)N2C=CC=CC2=N1 27916 [0,1,0,1,0,0|2,0,0]=4 341 B13R2.135 CCN1C(C)=CC2=CC=CC=C21 25686 [0,1,0,1,0,0|1,0,1]=4 342 B13R2.135 O=CC1=C(Br)SC2=C1C=CC=C2 34481 [0,1,0,1,0,0|2,0,0]=4 343 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 5875 [0,1,0,1,0,0|2,0,0]=4 344 B13R2.328 CC1=CC2=CC=CC=C2C(Cl)=N1 19783 [0,1,0,1,0,0|1,0,0]=3 345 B13R2.328 CC1=CC2=CC=CC=C2C(O)=N1 27723 [0,1,0,1,0,0|0,0,1]=3 346 B13R2.328 ClC1=CC2=CC=CC=C2C(Cl)=N1 7254 [0,1,0,1,0,0|2,0,0]=4 347 B13R2.328 FC1=CC(Br)=CC2=CC=CC=C12 13690 [0,1,0,1,0,0|2,0,0]=4 348 B13R2.328 NC1=CC(=O)C2=CC=CC=C2N1 13209 [0,1,0,1,0,0|2,0,0]=4 349 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 13599 [0,1,0,1,0,0|2,0,0]=4 350 B13R2.328 OC1=CC2=CC=CC=C2C(O)=C1 26197 [0,1,0,1,0,0|1,0,1]=4 351 B13R2.45 CC1=C(C=O)SC2=C1C=CC=C2 7453 [0,1,0,1,0,0|1,0,0]=3 352 B13R2.45 CCC1CC2=CC=CC=C2C1=O 5351 [0,1,0,1,0,0|0,0,2]=4 353 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 16250 [0,1,0,1,0,0|1,0,0]=3 354 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)S1 17140 [0,1,0,1,0,0|1,0,0]=3 355 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O 17315 [0,1,0,1,0,0|2,0,0]=4 356 B13R2.369 CC1=C(O)C=C2C=CC=NC2=C1 34451 [0,1,0,1,0,0|1,0,1]=4 357 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl 12431 [0,1,0,1,0,0|1,0,0]=3 358 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl 15428 [0,1,0,1,0,0|2,0,0]=4 359 B13R2.369 CC1=NC2=CC=CC=C2N=C1O 15424 [0,1,0,1,0,0|1,0,1]=4 360 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br 35526 [0,1,0,1,0,0|2,0,0]=4 361 B13R2.369 NC1=CC2=CC=CC=C2C=C1N 15532 [0,1,0,1,0,0|2,0,0]=4 362 B13R2.423 O=C(Cl)[C@@H]1C[C@H]1C2=CC=CC=C2 16222 [0,1,0,1,0,0|0,0,2]=4 363 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 22341 [0,1,0,1,0,0|0,0,2]=4 364 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 6959 [0,1,0,1,0,0|1,0,0]=3 365 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 9425 [0,1,0,1,0,0|1,0,0]=3 366 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 7586 [0,1,0,1,0,0|2,0,0]=4 367 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 9409 [0,1,0,1,0,0|2,0,0]=4 368 B13R2.435 CC(C)C1=CC2=CC=CC=C2C1 35010 [0,1,0,1,0,0|1,0,1]=4 369 B13R2.435 NC(=O)C1=CC2=CC=CC=C2N1 20200 [0,1,0,1,0,0|1,0,0]=3 370 B13R2.435 O=C(Cl)C1=CC2=C(C=CC=C2)O1 7016 [0,1,0,1,0,0|1,0,0]=3 371 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 7019 [0,1,0,1,0,0|1,0,0]=3 372 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 28045 [0,1,0,1,0,0|2,0,0]=4 373 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 1690 [0,1,0,1,0,0|1,0,0]=3 374 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 20647 [0,1,0,1,0,0|2,0,0]=4 375 B13R2.435 O=C(O)C1=CC2=CC=CN=C2O1 20928 [0,1,0,1,0,0|2,0,0]=4 376 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 28037 [0,1,0,1,0,0|2,0,0]=4 377 B13R2.435 O=C(O)C1=CC2=CC=NC=C2S1 32509 [0,1,0,1,0,0|2,0,0]=4 378 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 20924 [0,1,0,1,0,0|2,0,0]=4 379 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 33061 [0,1,0,1,0,0|2,0,0]=4 380 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 8062 [0,1,0,1,0,0|2,0,0]=4 381 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 15844 [0,1,0,1,0,0|2,0,0]=4 382 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 15887 [0,1,0,1,0,0|2,0,0]=4 383 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 3035 [0,1,0,1,0,0|1,0,1]=4 384 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 6053 [0,1,0,1,0,0|1,0,1]=4 385 B13R2.435 O=C(O)[C@H]1CC2=CC=CC=C2N1 20604 [0,1,0,1,0,0|1,0,1]=4 386 B13R2.43 O=C=C1C=C2C=CC(Cl)=CC2=N1 13946 [0,1,0,1,0,0|1,0,1]=4 387 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)O1 10165 [0,1,0,1,0,0|1,0,0]=3 388 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)S1 27920 [0,1,0,1,0,0|1,0,0]=3 389 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 13606 [0,1,0,1,0,0|2,0,0]=4 390 B13R2.3028 CC1CC2=CC=C(Cl)C=C2C1=O 35003 [0,1,0,1,0,0|0,0,2]=4 391 B13R2.3028 CC1CC2=CC=C(F)C=C2C1=O 9661 [0,1,0,1,0,0|0,0,2]=4 392 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O 1666 [0,1,0,1,0,0|2,0,0]=4 393 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O 13607 [0,1,0,1,0,0|2,0,0]=4 394 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O 1685 [0,1,0,1,0,0|2,0,0]=4 395 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O 15509 [0,1,0,1,0,0|2,0,0]=4 396 B13R2.3683 BrC1=CC2=CC=C(I)C=C2N=C1 35122 [0,1,0,1,0,0|2,0,0]=4 397 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=C1 33548 [0,1,0,1,0,0|1,0,0]=3 398 B13R2.3683 CC1=CC=C2N=C(C)C=CC2=C1 5876 [0,1,0,1,0,0|2,0,0]=4 399 B13R2.3683 CC1=CC=C2N=C(Cl)C=CC2=C1 13893 [0,1,0,1,0,0|2,0,0]=4 400 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 9755 [0,1,0,1,0,0|2,0,0]=4 401 B13R2.3683 CC1=CN=C2N=C(C)C=CC2=C1 27323 [0,1,0,1,0,0|2,0,0]=4 402 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 5882 [0,1,0,1,0,0|2,0,0]=4 403 B13R2.3683 CC1=NC2=CC=C(F)C=C2C=C1 7579 [0,1,0,1,0,0|2,0,0]=4 404 B13R2.3683 ClC1=CC2=CC=C(Br)C=C2N=C1 21575 [0,1,0,1,0,0|2,0,0]=4 405 B13R2.3683 ClC1=CC=C2C=C(Br)C=NC2=C1 21567 [0,1,0,1,0,0|2,0,0]=4 406 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=C1 12551 [0,1,0,1,0,0|2,0,0]=4 407 B13R2.3683 NC1=CC2=CC=C(Cl)C=C2N=C1 21568 [0,1,0,1,0,0|2,0,0]=4 408 B13R2.3683 NC1=CC2=CC=C(F)C=C2C=C1 27846 [0,1,0,1,0,0|2,0,0]=4 409 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 2170 [0,1,0,1,0,0|2,0,0]=4 410 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 27928 [0,1,0,1,0,0|2,0,0]=4 411 B13R2.3683 OC1=CC2=CC=C(F)C=C2C=C1 27847 [0,1,0,1,0,0|2,0,0]=4 412 B13R2.54 CCC1=CC2=CC=CC(Cl)=C2C1 5400 [0,1,0,1,0,0|1,0,1]=4 413 B13R2.54 O=CC1=CN2C=CC=C(Cl)C2=N1 24626 [0,1,0,1,0,0|2,0,0]=4 414 B13R2.155 BrC1=CC=C2C=CC(Br)=CC2=C1 36175 [0,1,0,1,0,0|2,0,0]=4 415 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 5850 [0,1,0,1,0,0|2,0,0]=4 416 B13R2.155 CC1=NC2=CC(F)=CC=C2C=C1 5896 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=C1 32314 [0,1,0,1,0,0|2,0,0]=4 418 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O 3903 [0,1,0,1,0,0|2,0,0]=4 419 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O 13911 [0,1,0,1,0,0|2,0,0]=4 420 B13R2.5179 BrC1=C2N=CC(I)=CC2=CC=C1 27663 [0,1,0,1,0,0|2,0,0]=4 421 B13R2.5179 CC1=CC=C2C(Cl)=CC=NC2=C1 34410 [0,1,0,1,0,0|2,0,0]=4 422 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 34782 [0,1,0,1,0,0|1,0,0]=3 423 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 35230 [0,1,0,1,0,0|2,0,0]=4 424 B13R2.5179 NC1=CC=C2C(O)=CC=CC2=C1 12474 [0,1,0,1,0,0|2,0,0]=4 425 B13R2.5179 NC1=CC=CC2=CC(F)=CC=C12 34829 [0,1,0,1,0,0|2,0,0]=4 426 B13R2.5190 CC1=CC=C2C(=O)C(C)CC2=C1 32342 [0,1,0,1,0,0|0,0,2]=4 427 B13R2.5190 CC1Cc2cc(F)ccc2C1=O 9656 [0,1,0,1,0,0|0,0,2]=4 428 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O 29201 [0,1,0,1,0,0|2,0,0]=4 429 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O 13996 [0,1,0,1,0,0|2,0,0]=4 430 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O 20320 [0,1,0,1,0,0|2,0,0]=4 431 B13R2.162 CC1=CC=C2C=CN=C(Cl)C2=C1 34167 [0,1,0,1,0,0|2,0,0]=4 432 B13R2.162 CC1=NC2=C(Br)C=CC=C2C=C1 21848 [0,1,0,1,0,0|2,0,0]=4 433 B13R2.162 CC1=NC2=C(C)C=CC=C2C=C1 5878 [0,1,0,1,0,0|2,0,0]=4 434 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 5852 [0,1,0,1,0,0|2,0,0]=4 435 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 24684 [0,1,0,1,0,0|2,0,0]=4 436 B13R2.162 NC1=CC=CC2=CC=C(O)C=C12 22270 [0,1,0,1,0,0|2,0,0]=4 437 B13R2.4825 CC1CC2=C(Br)C=CC=C2C1=O 32280 [0,1,0,1,0,0|0,0,2]=4 438 B13R2.4825 CC1CC2=C(Br)C=CC=C2C1=O 32281 [0,1,0,1,0,0|0,0,2]=4 439 B13R2.4825 CC1CC2=C(Cl)C=CC=C2C1=O 32284 [0,1,0,1,0,0|0,0,2]=4 440 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O 16675 [0,1,0,1,0,0|2,0,0]=4 441 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O 15537 [0,1,0,1,0,0|2,0,0]=4 442 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 1955 [0,1,0,1,0,0|2,0,0]=4 443 B13R2.4825 O=C1NC2=C(I)C=CC=C2C1=O 20658 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.12 O=C\C=C\C1=CC=CO1 6949 [1,0,0,0,1,0|1,0,0]=3 445 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [1,0,0,0,1,0|1,0,0]=3 446 B9R1.6 CC(=O)C1=CC=CN=N1 16091 [1,0,0,0,1,0|2,0,0]=4 447 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [1,0,0,0,1,0|1,0,0]=3 448 B9R1.6 CC(=O)C1=CN=CN=C1 13185 [1,0,0,0,1,0|2,0,0]=4 449 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [1,0,0,0,1,0|1,0,0]=3 450 B9R1.6 CC(=O)C1=NC=CC=N1 19777 [1,0,0,0,1,0|2,0,0]=4 451 B9R1.6 CC(=O)C1=NC=CN=C1 8542 [1,0,0,0,1,0|2,0,0]=4 452 B9R1.6 CC(=O)C1=NC=NC=C1 33412 [1,0,0,0,1,0|2,0,0]=4 453 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [1,0,0,0,1,0|1,0,1]=4 454 B9R1.6 CC(N)C1=CC=CC=C1 21079 [1,0,0,0,1,0|1,0,1]=4 455 B9R1.6 CP(C)C1=CC=CC=C1 6420 [1,0,0,0,1,0|1,0,1]=4 456 B9R1.6 C[C@@H](N)c1ccccc1 6026 [1,0,0,0,1,0|1,0,1]=4 457 B9R1.6 C[C@@H](N)c1ccccc1 6060 [1,0,0,0,1,0|1,0,1]=4 458 B9R1.6 C[C@@H](N)c1ccccc1 9918 [1,0,0,0,1,0|1,0,1]=4 459 B9R1.6 C[C@@H](O)c1ccccc1 6851 [1,0,0,0,1,0|0,0,2]=4 460 B9R1.6 C[C@H](N)c1ccccc1 6025 [1,0,0,0,1,0|1,0,1]=4 461 B9R1.6 C[C@H](N)c1ccccc1 6061 [1,0,0,0,1,0|1,0,1]=4 462 B9R1.6 C[C@H](O)c1ccccc1 6858 [1,0,0,0,1,0|0,0,2]=4 463 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [1,0,0,0,1,0|2,0,0]=4 464 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [1,0,0,0,1,0|1,1,0]=4 465 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [1,0,0,0,1,0|1,1,0]=4 466 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [1,0,0,0,1,0|1,0,0]=3 467 B9R1.6 O=C(Cl)C1=CC=NC=C1 23974 [1,0,0,0,1,0|2,0,0]=4 468 B9R1.6 O=C(Cl)C1=CN=CC=C1 15186 [1,0,0,0,1,0|2,0,0]=4 469 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [1,0,0,0,1,0|2,0,0]=4 470 B9R1.6 O=C(O)C1=CC=NC=C1 2595 [1,0,0,0,1,0|2,0,0]=4 471 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [1,0,0,0,1,0|2,0,0]=4 472 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [1,0,0,0,1,0|2,0,0]=4 473 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [1,0,0,0,1,0|2,0,0]=4 474 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [1,0,0,0,1,0|1,0,1]=4 475 B9R1.13 CC(=O)NC1=CC=CS1 5216 [1,0,0,0,1,0|2,0,0]=4