0 B11R1.280 C(=O)C1=CC(OC)=C(O)C=C1 SBB000108 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.280 C(=O)C1=CC=C(C)C(OC)=C1 SBB008620 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.280 CCC1=C(N)C=CC(C#N)=C1 SBB086499 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.280 CCC1=CC(OC)=C(O)C=C1 SBB008068 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.280 CCC1=CC=C(O)C(C=O)=C1 SBB079031 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.280 COC1=C(F)C=CC(CO)=C1 SBB054758 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.280 COC1=C(O)C=CC(C#N)=C1 SBB019877 [0,0,0,0,0,0|1,0,1]=2 7 B11R1.280 COC1=C(O)C=CC(CN)=C1 SBB003667 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.280 COC1=CC(C#N)=CC=C1F SBB063008 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.280 COC1=CC(C=O)=CC=C1F SBB063627 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.280 COC1=CC(CO)=C(Cl)C=C1 SBB068708 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.280 COC1=CC(CO)=CC=C1O SBB058789 [0,0,0,0,0,0|1,0,0]=1 12 B11R1.280 COC1=CC=C(Br)C(C#N)=C1 SBB028776 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.280 COC1=CC=C(Br)C(C=O)=C1 SBB063083 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.280 COC1=CC=C(F)C(C#N)=C1 SBB055306 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.280 COC1=CC=C(F)C(C=O)=C1 SBB063820 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.280 COC1=CC=C(N)C(OC)=C1 SBB040471 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.280 COC1=CC=C(N)C(OC)=N1 SBB000290 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.280 COC1=CC=C(O)C(C=O)=C1 SBB063767 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.280 COC1=NC=C(Br)C(OC)=N1 SBB054539 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.30 C(=O)C1=C(C)C=CC(C)=C1 SBB008435 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.30 CC1=CC(C#N)=C(F)C=C1 SBB064083 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.30 CC1=CC(CCl)=C(C)C=C1 SBB040679 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.30 CC1=CC(CN)=C(F)C=C1 SBB086091 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.30 CC1=CC=C(F)C(C=O)=C1 SBB063764 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.30 CC1=CC=C(O)C(C=O)=C1 SBB063013 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.30 CCC1=C(O)C=CC(C)=N1 SBB080737 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.30 CCC1=NC(C)=CC=C1O SBB080762 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 SBB059051 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.30 COC1=C(Br)C=CC(F)=C1 SBB093400 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.30 COC1=C(Br)C=CC(N)=C1 SBB059059 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.30 COC1=C(C)C=CC(Cl)=C1 SBB059060 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.30 COC1=C(C)C=CC(F)=C1 SBB086158 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.30 COC1=C(C)C=CC(N)=C1 SBB085977 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 SBB059053 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.30 COC1=C(F)C=CC(F)=C1 SBB086327 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.30 COC1=C(O)C=CC(C)=C1 SBB008258 [1,0,0,0,0,0|0,0,0]=1 37 B10R1.30 COC1=C(O)C=CC(N)=C1 SBB010275 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.30 COC1=CC(Br)=CC=C1N SBB051732 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.30 COC1=CC(Br)=CN=C1N SBB070411 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.30 COC1=CC(C)=CC=C1F SBB086162 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.30 COC1=CC(Cl)=CC=C1N SBB085532 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.30 COC1=CC(F)=CC=C1O SBB055422 [1,0,0,0,0,0|1,0,0]=2 43 B10R1.30 COC1=CC(N)=CC=C1Cl SBB070068 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.30 N#CC1=CC(Br)=CC=C1O SBB040157 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.30 N#CC1=CC(Cl)=CC=C1O SBB055230 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.30 N#CC1=CC(N)=CC=C1O SBB072993 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 SBB016339 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 SBB004013 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.30 O=CC1=C(O)C=CC(I)=C1 SBB035854 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.30 O=CC1=CC(F)=CC=C1O SBB064409 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.30 O=CC1=CC(O)=CC=C1O SBB052127 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.30 OCC1=C(O)C=CC(C)=N1 SBB004177 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.30 OCC1=CC(Br)=CC=C1O SBB054777 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.30 [NH3+]C1=CC=C(Br)C=C1CC SBB058409 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.172 CNC1=NC(OC)=CC=C1 SBB051844 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.172 COC1=CC(C=O)=CC=C1 SBB040264 [1,0,0,0,0,0|1,0,1]=3 57 B10R1.172 COC1=CC(CN)=CC=C1 SBB061735 [1,0,0,0,0,0|1,0,0]=2 58 B10R1.172 COC1=CC(CO)=CC=C1 SBB063359 [1,0,0,0,0,0|1,0,0]=2 59 B10R1.172 COC1=CC(NN)=CC=C1 SBB064981 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.172 COC1=CC=CC(C#N)=C1 SBB055059 [1,0,0,0,0,0|1,0,1]=3 61 B10R1.172 COC1=CC=CC(CBr)=C1 SBB054900 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.172 COC1=CC=CC(CCl)=C1 SBB040609 [1,0,0,0,0,0|1,0,0]=2 63 B10R1.172 COC1=CC=CC(OC)=C1 SBB060066 [1,0,0,0,0,0|1,0,0]=2 64 B10R1.172 COC1=CC=NC(OC)=C1 SBB086068 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.172 COC1=CN=CC(C=O)=C1 SBB052243 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.172 ClCC1=CC=CC(CCl)=C1 SBB058861 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.172 N#CC1=CC(CO)=CC=C1 SBB065162 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.172 N#CC1=CC=CC(CBr)=C1 SBB007997 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.172 NCC1=CC=CC(CN)=C1 SBB056801 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.172 O=CC1=CC(CBr)=CC=C1 SBB052151 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.172 OCC1=CC=CC(CO)=C1 SBB068549 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.176 CC1=C(C)C=C(C#N)C=C1 SBB055432 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 SBB052374 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.176 CC1=C(F)C=CC([Mg]Br)=C1 SBB094835 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.176 CC1=C(N)C=C(CO)C=C1 SBB054776 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.176 CC1=C(N)C=CC(C#N)=C1 SBB064128 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.176 CC1=CC(C#N)=CC=C1Br SBB064428 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.176 CC1=CC(C#N)=CC=C1F SBB063636 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.176 CC1=CC(C=O)=CC=C1F SBB063863 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.176 CC1=CC(CN)=CC=C1F SBB069920 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.176 CC1=CC=C(C=O)C=C1C SBB063355 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.176 CC1=CC=C(CCl)C=C1Cl SBB008275 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.176 CC1=CC=C(CN)C=C1C SBB028250 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.176 CC1=CC=C(CN)C=C1F SBB069916 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.176 CC1=CC=C(CO)C=C1C SBB063329 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.176 CC1=CC=C(CO)C=C1Cl SBB008274 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.176 CC1=CC=C(CO)C=C1F SBB086169 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.176 CC1=CC=C(NN)C=C1C SBB028372 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.176 CCC1=CC(C)=C(C)C=C1 SBB061288 [1,0,0,0,0,0|1,0,0]=2 90 B10R1.176 CCC1=CC=C(O)C(N)=C1 SBB000071 [1,0,0,0,0,0|1,0,0]=2 91 B10R1.176 CNC1=CC(Cl)=C(Cl)C=C1 SBB051773 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.176 COC1=CC(C)=C(F)C=C1 SBB086166 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.176 COC1=CC(Cl)=C(F)C=C1 SBB087476 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.176 COC1=CC(F)=C(Br)C=C1 SBB055267 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.176 COC1=CC(F)=C(Cl)C=C1 SBB087475 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.176 COC1=CC(F)=C(F)C=C1 SBB086325 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.176 COC1=CC(N)=C(C)C=C1 SBB058810 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.176 COC1=CC(N)=C(O)C=C1 SBB009779 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.176 COC1=CC=C(Br)C(C)=C1 SBB054214 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.176 COC1=CC=C(Br)C(N)=C1 SBB051753 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.176 COC1=CC=C(C)C(F)=C1 SBB086170 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.176 COC1=CC=C(Cl)C(C)=C1 SBB061027 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.176 COC1=CC=C(Cl)C(N)=C1 SBB008038 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.176 COC1=CC=C(N)C(C)=C1 SBB080570 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.176 COC1=CC=C(N)C(F)=C1 SBB071687 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.176 COC1=CC=C(N)C(N)=C1 SBB048084 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.176 ClC1=C(Cl)C=C(CBr)C=C1 SBB005763 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 SBB040647 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.176 FC1=C(F)C=C(CBr)C=C1 SBB006563 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.176 FC1=CC=C(CBr)C=C1Cl SBB070823 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.176 FC1=CC=C(CCl)C=C1F SBB087651 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.176 N#CC1=CC(Cl)=C(O)C=C1 SBB055490 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.176 N#CC1=CC(F)=C(O)C=C1 SBB059246 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.176 N#CC1=CC=C(O)C(N)=C1 SBB051796 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.176 N#CC1=CC=C(O)C(O)=C1 SBB008582 [1,0,0,0,0,0|1,0,1]=3 116 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 SBB052429 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.176 NCC1=CC(F)=C(F)C=C1 SBB052378 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.176 NCC1=CC=C(Cl)C(F)=C1 SBB028335 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.176 NCC1=CC=C(F)C(Cl)=C1 SBB028338 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.176 O=CC1=CC(F)=C(O)C=C1 SBB048182 [1,0,0,0,0,0|2,0,1]=4 121 B10R1.176 O=CC1=CC=C(O)C(Br)=C1 SBB063051 [1,0,0,0,0,0|2,0,1]=4 122 B10R1.176 O=CC1=CC=C(O)C(Cl)=C1 SBB005887 [1,0,0,0,0,0|2,0,1]=4 123 B10R1.176 O=CC1=CC=C(O)C(O)=C1 SBB040269 [1,0,0,0,0,0|1,0,1]=3 124 B10R1.176 OC1=C(Br)C=C(C#N)C=C1 SBB005818 [1,0,0,0,0,0|2,0,1]=4 125 B10R1.176 OCC1=CC(=O)C(O)=CO1 SBB005397 [1,0,0,0,0,0|2,0,1]=4 126 B10R1.176 OCC1=CC=C(Br)C(F)=C1 SBB064812 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.176 OCC1=CC=C(Cl)C(Cl)=C1 SBB058561 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.176 OCC1=CC=C(F)C(Br)=C1 SBB063481 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.176 OCC1=CC=C(F)C(Cl)=C1 SBB087471 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.176 OCC1=CC=C(F)C(F)=C1 SBB064494 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.176 [NH3+]CC1=CC=C(F)C(Br)=C1 SBB058425 [1,0,0,0,0,0|3,0,0]=4 132 B12R1.56 CC(C)C1=CC(C=O)=C(O)C=C1 SBB010447 [0,1,0,0,0,0|2,0,0]=3 133 B12R1.56 CNC1=CC(C(=O)O)=CC=C1O SBB072315 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 SBB056804 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 SBB008019 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.56 COC1=CC(B(O)O)=CC=C1F SBB071262 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.56 COC1=CC(C(=O)O)=CC=C1C SBB048279 [0,1,0,0,0,0|2,0,1]=4 138 B12R1.56 COC1=CC(C(=O)O)=CC=C1Cl SBB008504 [0,1,0,0,0,0|2,0,1]=4 139 B12R1.56 COC1=CC(C(=O)O)=CC=C1F SBB051453 [0,1,0,0,0,0|2,0,1]=4 140 B12R1.56 COC1=CC(C(=O)O)=CC=C1N SBB008622 [0,1,0,0,0,0|2,0,1]=4 141 B12R1.56 COC1=CC(C(=O)O)=CC=C1O SBB008280 [0,1,0,0,0,0|1,0,1]=3 142 B12R1.56 COC1=CC(C(C)=O)=CC=C1F SBB064944 [0,1,0,0,0,0|1,0,1]=3 143 B12R1.56 COC1=CC(C(C)=O)=CC=C1O SBB008060 [0,1,0,0,0,0|0,0,1]=2 144 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1Br SBB055504 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1C SBB065728 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1Cl SBB065746 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1I SBB064459 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1[O-] SBB005407 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 SBB014717 [0,1,0,0,0,0|2,0,0]=3 150 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 SBB028801 [0,1,0,0,0,0|1,0,1]=3 151 B12R1.78 COC1=C(OC)C=C(CN)C=C1 SBB042487 [0,1,0,0,0,0|1,0,0]=2 152 B12R1.78 COC1=C(OC)C=C(CO)C=C1 SBB058837 [0,1,0,0,0,0|1,0,0]=2 153 B12R1.78 COC1=CC(C#N)=C(OC)C=C1 SBB058340 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.78 COC1=CC(CN)=C(OC)C=C1 SBB047767 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.78 COC1=CC(OC)=C(CN)C=C1 SBB000428 [0,1,0,0,0,0|2,0,0]=3 156 B12R1.78 COC1=CC(OC)=C(CN)C=C1 SBB047769 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.78 COC1=CC=C(C#N)C(OC)=C1 SBB063099 [0,1,0,0,0,0|2,0,0]=3 158 B12R1.78 COC1=CC=C(C=O)C(OC)=C1 SBB040221 [0,1,0,0,0,0|1,0,1]=3 159 B12R1.78 COC1=CC=C(C=O)C(OC)=N1 SBB065549 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.78 COC1=CC=C(C=O)C=C1OC SBB040236 [0,1,0,0,0,0|1,0,1]=3 161 B12R1.78 COC1=CC=C(CO)C(OC)=C1 SBB063101 [0,1,0,0,0,0|1,0,0]=2 162 B12R1.78 COC1=CC=C(OC)C(C=O)=C1 SBB040207 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.78 COC1=CC=C(OC)C(CCl)=C1 SBB090509 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.270 C(=O)C1=CC=C(O)C(OCC)=C1 SBB008268 [0,1,0,0,0,0|1,0,1]=3 165 B12R1.270 CCOC1=C(O)C=CC(C#N)=C1 SBB019883 [0,1,0,0,0,0|1,0,1]=3 166 B12R1.270 CCOC1=C(O)C=CC(CN)=C1 SBB027126 [0,1,0,0,0,0|1,0,0]=2 167 B12R1.286 CCOC1=CC(C=O)=C(O)C=C1 SBB085314 [0,1,0,0,0,0|2,0,0]=3 168 B12R1.286 COC1=C(O)C=CC(SC#N)=C1 SBB000226 [0,1,0,0,0,0|1,0,1]=3 169 B12R1.286 COC1=C(O)C=CC(\C=N\O)=C1 SBB019876 [0,1,0,0,0,0|1,0,1]=3 170 B12R1.286 OC1=C(OC)C=C(CC=C)C=C1 SBB012362 [0,1,0,0,0,0|0,0,1]=2 171 B12R1.300 COC1=C(O)C(Br)=CC(C#N)=C1 SBB019879 [0,1,0,0,0,0|1,0,1]=3 172 B12R1.300 COC1=C(O)C(Cl)=CC(C#N)=C1 SBB019878 [0,1,0,0,0,0|1,0,1]=3 173 B12R1.300 COC1=C(O)C(Cl)=CC(C=O)=C1 SBB001593 [0,1,0,0,0,0|1,0,1]=3 174 B12R1.300 COC1=C(O)C(I)=CC(C#N)=C1 SBB019882 [0,1,0,0,0,0|1,0,1]=3 175 B12R1.300 COC1=CC(C#N)=CC(N)=C1O SBB115983 [0,1,0,0,0,0|1,0,1]=3 176 B12R1.300 COC1=CC(C=O)=C(O)C(Br)=C1 SBB097687 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O SBB016336 [0,1,0,0,0,0|1,0,1]=3 178 B12R1.300 COC1=CC(C=O)=CC(O)=C1O SBB042846 [0,1,0,0,0,0|1,0,1]=3 179 B12R1.300 COC1=CC(OC)=C(N)C(Cl)=C1 SBB007589 [0,1,0,0,0,0|2,0,0]=3 180 B12R1.300 OC1=C(OC)C=C(C=O)C=C1I SBB006927 [0,1,0,0,0,0|1,0,1]=3 181 B12R1.449 COC1=C(O)C=C(Br)C(C#N)=C1 SBB028709 [0,1,0,0,0,0|1,0,1]=3 182 B12R1.449 COC1=C(O)C=C(Br)C(C=O)=C1 SBB019880 [0,1,0,0,0,0|1,0,1]=3 183 B12R1.449 COC1=C(O)C=C(Cl)C(C=O)=C1 SBB010751 [0,1,0,0,0,0|1,0,1]=3 184 B12R1.449 COC1=CC(C=O)=C(O)C=C1O SBB072148 [0,1,0,0,0,0|1,0,1]=3 185 B12R1.449 NC1=C(OC)C=C(OC)C(Cl)=C1 SBB003682 [0,1,0,0,0,0|2,0,0]=3 186 B12R1.453 CCC1=CC([N+](=O)[O-])=C(O)C=C1 SBB072411 [0,1,0,0,0,0|2,0,0]=3 187 B12R1.453 COC1=CC([N+](=O)[O-])=C(O)C=C1 SBB008447 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.453 COC1=CC=C(O)C(C(=O)O)=C1 SBB058327 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.453 COC1=CC=C(O)C(C(C)=O)=C1 SBB063252 [0,1,0,0,0,0|2,0,0]=3 190 B12R1.654 C(=O)C1=CC=C(F)C(OC)=C1F SBB088595 [0,1,0,0,0,0|2,0,1]=4 191 B12R1.654 COC1=C(C)C(CN)=NC=C1C SBB019473 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.654 COC1=C(C)C(CO)=NC=C1C SBB054799 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.654 COC1=C(F)C(C#N)=CC=C1F SBB064370 [0,1,0,0,0,0|2,0,1]=4 194 B12R1.654 COC1=C(F)C(CBr)=CC=C1F SBB098713 [0,1,0,0,0,0|2,0,0]=3 195 B12R1.654 COC1=C(F)C(CN)=CC=C1F SBB088745 [0,1,0,0,0,0|2,0,0]=3 196 B12R2.44 N#CC1=CC=C2OCOC2=C1 SBB014538 [0,0,0,1,0,0|1,0,1]=3 197 B12R2.44 NCC1=CC2=C(C=C1)OCC2 SBB052498 [0,0,0,1,0,0|2,0,0]=3 198 B12R2.44 NCC1=CC=C2OCOC2=C1 SBB002587 [0,0,0,1,0,0|1,0,0]=2 199 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 SBB005559 [0,0,0,1,0,0|2,0,1]=4 200 B12R2.44 OCC1=CC2=C(C=C1)OCC2 SBB054831 [0,0,0,1,0,0|2,0,0]=3 201 B12R2.44 OCC1=CC2=C(C=C1)OCO2 SBB004053 [0,0,0,1,0,0|1,0,0]=2 202 B9R1.2 C#CC1=CC=CC(O)=C1 SBB005886 [2,0,0,0,0,0|0,0,2]=4 203 B9R1.2 CC1=CC(CN)=NC=C1 SBB052434 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.2 CC1=CC=CC(C#N)=C1 SBB059209 [2,0,0,0,0,0|1,0,1]=4 205 B9R1.2 CC1=CC=CC(CBr)=C1 SBB054906 [2,0,0,0,0,0|1,0,0]=3 206 B9R1.2 CC1=CC=CC(CBr)=N1 SBB070747 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.2 CC1=CC=CC(CCl)=C1 SBB040670 [2,0,0,0,0,0|1,0,0]=3 208 B9R1.2 CC1=CC=CC(CN)=C1 SBB048016 [2,0,0,0,0,0|1,0,0]=3 209 B9R1.2 CC1=CC=CC(CN)=N1 SBB079460 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.2 CC1=CC=CC(CO)=C1 SBB064816 [2,0,0,0,0,0|1,0,0]=3 211 B9R1.2 CC1=CC=CC(CO)=N1 SBB065460 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.2 CC1=CC=CC(CS)=C1 SBB086034 [2,0,0,0,0,0|1,0,0]=3 213 B9R1.2 CCC1=CC(C)=CC=C1 SBB061286 [2,0,0,0,0,0|0,0,0]=2 214 B9R1.2 CCC1=CC(C)=CC=C1 SBB061444 [2,0,0,0,0,0|0,0,0]=2 215 B9R1.2 CCC1=CC=CC(Br)=C1 SBB090239 [2,0,0,0,0,0|1,0,0]=3 216 B9R1.2 CCC1=CC=NC(N)=C1 SBB028207 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.2 CCC1=CN=CC(Br)=C1 SBB054407 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.2 CCC1=NC(N)=CC=C1 SBB028205 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.2 CNC1=CC(Cl)=CC=C1 SBB086218 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.2 COC1=CC(Br)=CC=C1 SBB007886 [2,0,0,0,0,0|1,0,0]=3 221 B9R1.2 COC1=CC(F)=CC=C1 SBB085642 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.2 COC1=CC(N)=NC=C1 SBB051898 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.2 COC1=CC(O)=CC=C1 SBB060932 [2,0,0,0,0,0|1,0,0]=3 224 B9R1.2 COC1=CC=CC(Br)=N1 SBB054383 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.2 COC1=CC=CC(C)=C1 SBB061028 [2,0,0,0,0,0|0,0,0]=2 226 B9R1.2 COC1=CC=CC(F)=N1 SBB085671 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.2 COC1=CC=CC(I)=C1 SBB059058 [2,0,0,0,0,0|1,0,0]=3 228 B9R1.2 COC1=CC=CC(N)=C1 SBB040499 [2,0,0,0,0,0|1,0,0]=3 229 B9R1.2 COC1=CC=CC(N)=N1 SBB051862 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.2 COC1=CN=CC(Br)=C1 SBB054402 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.2 COC1=NC=CC(Br)=C1 SBB054328 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.2 COC1=NC=CC(N)=C1 SBB051798 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.2 ClCC1=CC(Cl)=CC=C1 SBB040671 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.2 FC1=CC(CBr)=CC=C1 SBB090883 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.2 FC1=CC=CC(CCl)=C1 SBB040605 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.2 NC1=CC=CC(CO)=C1 SBB037932 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.2 NCC1=CC(Cl)=CC=C1 SBB004155 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.2 NCC1=CC=CC(Br)=C1 SBB005796 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.2 NCC1=CC=CC(F)=C1 SBB028218 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.2 O=CC1=CC=CC(O)=C1 SBB040208 [2,0,0,0,0,0|1,0,1]=4 241 B9R1.2 OCC1=CC(F)=CC=C1 SBB064188 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.2 OCC1=CC(I)=CC=C1 SBB068728 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.2 OCC1=CC(S)=CC=C1 SBB054760 [2,0,0,0,0,0|1,1,0]=4 244 B9R1.2 OCC1=CC=CC(Br)=C1 SBB063014 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.2 OCC1=CC=CC(Cl)=C1 SBB064716 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.2 OCC1=CC=CC(O)=C1 SBB068731 [2,0,0,0,0,0|1,0,0]=3 247 B9R1.2 [NH3+]CC1=CC(I)=CC=C1 SBB058984 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.15 CCC1=C(N)C=CC=C1 SBB040452 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.15 CCC1=CC=CC=C1C SBB061450 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.15 CNC1=CC=CC=C1Cl SBB086216 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.15 CNC1=CC=CC=C1F SBB051706 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.15 CNC1=CC=CC=C1N SBB071575 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.15 COC1=C(I)N=CC=C1 SBB098345 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.15 COC1=C(N)C=CC=C1 SBB028142 [2,0,0,0,0,0|1,0,0]=3 255 B9R1.15 COC1=C(O)C=CC=C1 SBB058681 [2,0,0,0,0,0|0,0,0]=2 256 B9R1.15 COC1=CC=CC=C1Cl SBB060957 [2,0,0,0,0,0|1,0,0]=3 257 B9R1.15 COC1=CC=CC=C1F SBB040818 [2,0,0,0,0,0|1,0,0]=3 258 B9R1.15 COC1=CC=CN=C1Br SBB005633 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.15 COC1=CC=CN=C1N SBB051907 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.15 COC1=CC=CN=C1O SBB046500 [2,0,0,0,0,0|1,0,0]=3 261 B9R1.15 CSC1=C(Br)C=CC=C1 SBB006566 [2,0,0,0,0,0|1,1,0]=4 262 B9R1.15 CSC1=C(Cl)C=CC=C1 SBB058978 [2,0,0,0,0,0|1,1,0]=4 263 B9R1.15 N#CC1=C(O)C=CC=C1 SBB007959 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.15 O=CC1=CC=CC=C1O SBB040225 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.15 OCC1=CC=CC=C1O SBB065036 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.69 CC1=C(Br)C=CC(F)=C1 SBB090884 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.69 CC1=C(Br)C=CC(N)=C1 SBB040486 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.69 CC1=C(C)C=C(F)C=C1 SBB085562 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.69 CC1=C(C)C=C(N)C=C1 SBB040496 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.69 CC1=C(Cl)C=CC(F)=C1 SBB086375 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.69 CC1=C(F)C=CC(Br)=C1 SBB090877 [2,0,0,0,0,0|2,0,0]=4 272 B9R1.69 CC1=C(F)C=CC(Cl)=C1 SBB086379 [2,0,0,0,0,0|2,0,0]=4 273 B9R1.69 CC1=C(F)C=CC(F)=C1 SBB085716 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.69 CC1=C(F)C=CC(O)=C1 SBB085652 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.69 CC1=C(N)C=CC(Cl)=C1 SBB040954 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.69 CC1=C(N)C=CC(N)=C1 SBB069792 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.69 CC1=C(N)C=CC(O)=C1 SBB058775 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.69 CC1=C(O)C=C(F)C=C1 SBB085644 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.69 CC1=C(O)C=CC(Cl)=C1 SBB060653 [2,0,0,0,0,0|1,0,0]=3 280 B9R1.69 CC1=C(O)C=CC(F)=C1 SBB085648 [2,0,0,0,0,0|1,0,0]=3 281 B9R1.69 CC1=C(O)C=CC(O)=C1 SBB058737 [2,0,0,0,0,0|1,0,0]=3 282 B9R1.69 CC1=C(O)N=CC(Br)=C1 SBB013903 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.69 CC1=CC(Br)=C(F)C=C1 SBB090881 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.69 CC1=CC(Br)=CC=C1Br SBB054165 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.69 CC1=CC(Br)=CC=C1N SBB040871 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.69 CC1=CC(Br)=CC=C1O SBB079997 [2,0,0,0,0,0|1,0,0]=3 287 B9R1.69 CC1=CC(C)=C(C)C=C1 SBB060396 [2,0,0,0,0,0|1,0,0]=3 288 B9R1.69 CC1=CC(C)=C(F)C=C1 SBB085564 [2,0,0,0,0,0|1,0,0]=3 289 B9R1.69 CC1=CC(C)=C(N)C=N1 SBB051865 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.69 CC1=CC(C)=C(O)C=C1 SBB060657 [2,0,0,0,0,0|0,0,0]=2 291 B9R1.69 CC1=CC(Cl)=C(Cl)C=C1 SBB061466 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.69 CC1=CC(Cl)=C(F)C=C1 SBB086372 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.69 CC1=CC(Cl)=CC=C1Cl SBB061484 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.69 CC1=CC(Cl)=CN=C1O SBB054370 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.69 CC1=CC(F)=C(Br)C=C1 SBB090876 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.69 CC1=CC(F)=C(C)C=C1 SBB085563 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.69 CC1=CC(F)=C(Cl)C=C1 SBB086381 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.69 CC1=CC(F)=C(F)C=C1 SBB085714 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.69 CC1=CC(F)=C(I)C=C1 SBB098504 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.69 CC1=CC(F)=C(O)C=C1 SBB085649 [2,0,0,0,0,0|1,0,0]=3 301 B9R1.69 CC1=CC(F)=CC=C1N SBB028217 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.69 CC1=CC(I)=CC=C1F SBB098506 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.69 CC1=CC(I)=CC=C1N SBB043651 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.69 CC1=CC(N)=C(N)C=C1 SBB007557 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.69 CC1=CC(N)=CC=C1F SBB028220 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.69 CC1=CC(O)=C(C)C=C1 SBB060426 [2,0,0,0,0,0|1,0,0]=3 307 B9R1.69 CC1=CC(O)=C(F)C=C1 SBB085653 [2,0,0,0,0,0|1,0,0]=3 308 B9R1.69 CC1=CC(O)=C(O)C=C1 SBB061372 [2,0,0,0,0,0|0,0,0]=2 309 B9R1.69 CC1=CC(O)=CC=C1Br SBB043774 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.69 CC1=CC(O)=CC=C1Cl SBB060654 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.69 CC1=CC=C(C)C(N)=C1 SBB040497 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.69 CC1=CC=C(Cl)C(N)=C1 SBB069932 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.69 CC1=CC=C(F)C(N)=C1 SBB028213 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.69 CC1=CC=C(N)C(Br)=C1 SBB040485 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.69 CC1=CC=C(N)C(C)=C1 SBB040487 [2,0,0,0,0,0|1,0,0]=3 316 B9R1.69 CC1=CC=C(O)C(Br)=C1 SBB079996 [2,0,0,0,0,0|1,0,0]=3 317 B9R1.69 CC1=CC=C(O)C(N)=C1 SBB051703 [2,0,0,0,0,0|1,0,0]=3 318 B9R1.69 CC1=CC=C(O)C=C1C SBB060427 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.69 CC1=CN=C(O)C(Br)=C1 SBB003679 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.69 CC1=CN=C(O)C(N)=C1 SBB051872 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.69 CC1=NC(C)=C(C)C=C1 SBB061698 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.69 CC1=NC(C)=C(N)C=C1 SBB013931 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.69 CC1=NC(C)=C(O)C=C1 SBB013900 [2,0,0,0,0,0|1,0,0]=3 324 B9R1.69 NC1=C(O)C=CC(Cl)=C1 SBB007588 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.69 NC1=CC(Br)=CC=C1O SBB002114 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.69 NC1=CC(Cl)=C(O)C=C1 SBB004136 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.69 NC1=CC(F)=C(O)C=C1 SBB028226 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.69 NC1=CC(F)=CC=C1O SBB069835 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.69 NC1=CC(I)=C(O)C=C1 SBB071708 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.69 NC1=CC=C(Br)C=C1O SBB051770 [2,0,0,0,0,0|2,0,0]=4 331 B9R1.69 NC1=CC=C(C)C=C1F SBB006650 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.69 NC1=CC=C(F)C=C1O SBB055384 [2,0,0,0,0,0|2,0,0]=4 333 B9R1.69 OC1=C(Br)C=C(Br)C=C1 SBB058506 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.69 OC1=C(Br)C=C(Cl)C=C1 SBB079034 [2,0,0,0,0,0|2,0,0]=4 335 B9R1.69 OC1=C(Br)C=C(F)C=C1 SBB091219 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.69 OC1=C(Br)C=CC(F)=C1 SBB091224 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.69 OC1=C(Cl)C=C(Cl)C=C1 SBB058675 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.69 OC1=C(Cl)C=C(F)C=C1 SBB086515 [2,0,0,0,0,0|2,0,0]=4 339 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 SBB061453 [2,0,0,0,0,0|2,0,0]=4 340 B9R1.69 OC1=C(Cl)C=CC(F)=C1 SBB086520 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.69 OC1=C(F)C=C(Br)C=C1 SBB091221 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.69 OC1=C(F)C=C(Cl)C=C1 SBB086517 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.69 OC1=C(F)C=C(F)C=C1 SBB085754 [2,0,0,0,0,0|2,0,0]=4 344 B9R1.69 OC1=C(F)C=CC(F)=C1 SBB085755 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.69 OC1=CC(Br)=CC=C1Cl SBB093919 [2,0,0,0,0,0|2,0,0]=4 346 B9R1.69 OC1=CC=C(Br)C(O)=C1 SBB059604 [2,0,0,0,0,0|2,0,0]=4 347 B9R1.69 OC1=CC=C(Br)C=C1Cl SBB079995 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.69 OC1=CC=C(Cl)C(O)=C1 SBB061264 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.69 OC1=CC=C(Cl)C=C1I SBB054173 [2,0,0,0,0,0|2,0,0]=4 350 B9R1.69 OC1=CC=C(F)C(O)=C1 SBB085710 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.69 [NH3+]C1=C(C)C=C(C)N=C1 SBB055666 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.1 BrCC1=CC=C(Br)C=C1 SBB040668 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.1 BrCC1=CC=C(I)C=C1 SBB054901 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.1 CC1=CC=C(CCl)C=C1 SBB040648 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.1 CC1=CC=C(CN)C=C1 SBB040468 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.1 CC1=CC=C(CO)C=C1 SBB063354 [2,0,0,0,0,0|2,0,0]=4 357 B9R1.1 CC1=CC=C(CS)C=C1 SBB086032 [2,0,0,0,0,0|2,0,0]=4 358 B9R1.1 CCC1=CC=C(Br)C=C1 SBB054183 [2,0,0,0,0,0|1,0,0]=3 359 B9R1.1 CCC1=CC=C(Br)C=C1 SBB060979 [2,0,0,0,0,0|1,0,0]=3 360 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.1 CCC1=CC=C(F)C=C1 SBB085565 [2,0,0,0,0,0|1,0,0]=3 362 B9R1.1 CCC1=CC=C(N)C=C1 SBB040445 [2,0,0,0,0,0|1,0,0]=3 363 B9R1.1 CCC1=CC=C(O)C=C1 SBB057513 [2,0,0,0,0,0|0,0,0]=2 364 B9R1.1 CNC1=CC=C(N)C=C1 SBB003597 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.1 COC1=CC=C(Br)C=C1 SBB060208 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.1 COC1=CC=C(C)C=C1 SBB060064 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.1 COC1=CC=C(Cl)C=C1 SBB061022 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.1 COC1=CC=C(F)C=C1 SBB085645 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.1 COC1=CC=C(N)C=C1 SBB040441 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.1 COC1=CC=C(O)C=C1 SBB060425 [2,0,0,0,0,0|1,0,0]=3 371 B9R1.1 CSC1=CC=C(F)C=C1 SBB086252 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.1 CSC1=CC=C(O)C=C1 SBB071908 [2,0,0,0,0,0|1,0,0]=3 373 B9R1.1 ClCC1=CC=C(Cl)C=C1 SBB058606 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.1 FC1=CC=C(CBr)C=C1 SBB058857 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.1 FC1=CC=C(CCl)C=C1 SBB040604 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.1 N#CC1=CC=C(O)C=C1 SBB008054 [2,0,0,0,0,0|1,0,1]=4 377 B9R1.1 NC1=CC=C(CO)C=C1 SBB063021 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.1 NC1=CC=C(SC)C=C1 SBB006658 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.1 NCC1=CC=C(Br)C=C1 SBB090347 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.1 NCC1=CC=C(Cl)C=C1 SBB004154 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.1 NCC1=CC=C(F)C=C1 SBB017547 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.1 NCC1=CC=C(F)C=C1 SBB028215 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.1 NCC1=CC=C(I)C=C1 SBB052373 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.1 NCC1=CC=C(N)C=C1 SBB002565 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.1 NCC1=CC=C(O)C=C1 SBB046561 [2,0,0,0,0,0|1,0,0]=3 386 B9R1.1 O=CC1=CC=C(O)C=C1 SBB028743 [2,0,0,0,0,0|1,0,1]=4 387 B9R1.1 OCC1=CC=C(Br)C=C1 SBB064717 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.1 OCC1=CC=C(Cl)C=C1 SBB058581 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.1 OCC1=CC=C(F)C=C1 SBB058560 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.1 OCC1=CC=C(I)C=C1 SBB063681 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.1 OCC1=CC=C(O)C=C1 SBB059322 [2,0,0,0,0,0|1,0,0]=3 392 B9R1.1 SCC1=CC=C(Br)C=C1 SBB067614 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.1 [NH2+](C)C1=CC=C(O)C=C1 SBB060652 [2,0,0,0,0,0|1,0,0]=3 394 B11R1.8 CC1=CC(C=O)=C(O)C(C)=C1 SBB010321 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.8 COC1=CC(Br)=CC(F)=C1F SBB096416 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.37 C(=O)C1=C(OC)C=C(O)C=C1 SBB008607 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.37 C(=O)C1=C(OC)C=CC(C)=C1 SBB017648 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.37 COC1=C(OC)C=C(Br)C=C1 SBB058860 [1,1,0,0,0,0|1,0,0]=3 399 B11R1.37 COC1=C(OC)C=C(F)C=C1 SBB087142 [1,1,0,0,0,0|1,0,0]=3 400 B11R1.37 COC1=C(OC)C=C(O)C=C1 SBB055250 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.37 COC1=CC(C)=CC=C1C=O SBB010322 [1,1,0,0,0,0|0,0,1]=3 402 B11R1.37 COC1=CC(F)=CC=C1C#N SBB063923 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.37 COC1=CC(F)=CC=C1C=O SBB064433 [1,1,0,0,0,0|1,0,1]=4 404 B11R1.37 COC1=CC=C(S)C=C1OC SBB066510 [1,1,0,0,0,0|1,0,0]=3 405 B11R1.37 COC1=NC(C)=CC=C1C#N SBB072562 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.72 COC1=C(Cl)C=CC(C)=C1F SBB088972 [1,1,0,0,0,0|1,0,0]=3 407 B11R1.72 COC1=C(F)C(N)=CC=C1F SBB087344 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.72 COC1=C(F)C(O)=CC=C1F SBB087411 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.72 COC1=C(F)C=CC(C)=C1Cl SBB088975 [1,1,0,0,0,0|1,0,0]=3 410 B11R1.72 COC1=C(F)C=CC(C)=C1F SBB087282 [1,1,0,0,0,0|1,0,0]=3 411 B11R1.72 COC1=C(F)C=CC(Cl)=C1Cl SBB091822 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.72 COC1=C(F)C=CC(Cl)=C1F SBB089473 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.72 COC1=C(F)C=CC(F)=C1Cl SBB089477 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.72 COC1=C(F)C=CC(F)=C1F SBB087569 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 SBB086848 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 SBB042578 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 SBB005399 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.167 CC(=O)C1=CC(C)=CC=C1C SBB058819 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1O SBB064877 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.167 CC(=O)C1=CC(F)=CC=C1O SBB063131 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.167 CC(=O)C1=CC(O)=CC=C1O SBB056808 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.167 CC1=CC(C(=O)O)=C(O)C=C1 SBB064115 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.167 CC1=CC([N+](=O)[O-])=C(O)C=C1 SBB058864 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.167 CC1=CC=C(C)C(C(C)N)=C1 SBB009346 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.182 CC1=CC(CCO)=C(C)C=C1 SBB005840 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.182 CCOC1=C(Cl)C=CC(F)=C1 SBB088978 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.182 CCOC1=C(O)C=CC(C)=C1 SBB007984 [1,1,0,0,0,0|0,0,0]=2 428 B11R1.277 COC1=C(Br)C=C(Br)C(N)=C1 SBB007567 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.277 COC1=C(Br)C=C(F)C(F)=C1 SBB096415 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.277 COC1=C(F)C=C(Br)C(F)=C1 SBB037912 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.277 COC1=C(N)C=C(F)C(F)=C1 SBB087348 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.277 COC1=CC(Br)=C(Br)C=C1N SBB007586 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.277 COC1=CC(N)=C(Cl)C=C1Cl SBB059074 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.277 NC1=C(OC)C=C(Cl)C(C)=C1 SBB003840 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.9 CCC1=CC(C)=CC(CC)=C1 SBB060976 [1,1,0,0,0,0|1,0,0]=3 436 B11R1.9 COC1=CC(Br)=CC(OC)=C1 SBB059589 [1,1,0,0,0,0|1,0,0]=3 437 B11R1.9 COC1=CC(C#N)=CC(Cl)=C1 SBB055266 [1,1,0,0,0,0|1,0,1]=4 438 B11R1.9 COC1=CC(C)=CC(OC)=C1 SBB059392 [1,1,0,0,0,0|1,0,0]=3 439 B11R1.9 COC1=CC(F)=CC(OC)=C1 SBB087139 [1,1,0,0,0,0|1,0,0]=3 440 B11R1.9 COC1=CC(N)=CC(OC)=C1 SBB059344 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.9 COC1=CC(O)=CC(OC)=C1 SBB071724 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.189 C(=O)C1=CC(OCC)=CC=C1 SBB004072 [1,1,0,0,0,0|1,0,1]=4 443 B11R1.189 CCC1=CC(N=C=O)=CC=C1 SBB046945 [1,1,0,0,0,0|1,0,1]=4 444 B11R1.189 COC1=CC(CCBr)=CC=C1 SBB027258 [1,1,0,0,0,0|0,0,0]=2 445 B11R1.189 COC1=CC=CC(CC#N)=C1 SBB055078 [1,1,0,0,0,0|0,0,1]=3 446 B11R1.189 COC1=CC=CC(CC=O)=C1 SBB052208 [1,1,0,0,0,0|0,0,1]=3 447 B11R1.189 COC1=CC=CC(N=C=O)=C1 SBB048850 [1,1,0,0,0,0|1,0,1]=4 448 B11R1.189 COC1=CC=CC(N=C=S)=C1 SBB030514 [1,1,0,0,0,0|1,0,1]=4 449 B11R1.266 CN(C)C1=CC=CC(CO)=C1 SBB086789 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.266 COC1=CC(B(O)O)=CC=C1 SBB048062 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.266 COC1=CC(C(=O)Cl)=CC=C1 SBB058624 [1,1,0,0,0,0|1,0,1]=4 452 B11R1.266 COC1=CC(C(C)=O)=CC=C1 SBB040249 [1,1,0,0,0,0|0,0,1]=3 453 B11R1.266 COC1=CC(C(C)O)=CC=C1 SBB079068 [1,1,0,0,0,0|0,0,0]=2 454 B11R1.266 COC1=CC(N(C)C)=CC=C1 SBB060811 [1,1,0,0,0,0|1,0,0]=3 455 B11R1.266 COC1=CC=CC(C(C)N)=C1 SBB018584 [1,1,0,0,0,0|0,0,0]=2 456 B11R1.266 COC1=CC=CC(C(N)=S)=C1 SBB016506 [1,1,0,0,0,0|1,0,1]=4 457 B11R1.266 OC(=O)C1=CC(OC)=CC=C1 SBB015065 [1,1,0,0,0,0|1,0,1]=4 458 B11R1.267 CCC1=CC=CC(CC)=C1N SBB040469 [1,1,0,0,0,0|1,0,0]=3 459 B11R1.267 COC1=C(F)C(C=O)=CC=C1 SBB068762 [1,1,0,0,0,0|1,0,1]=4 460 B11R1.267 COC1=CC=CC(C#N)=C1O SBB055374 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.267 COC1=CC=CC(C=O)=C1O SBB000109 [1,1,0,0,0,0|1,0,1]=4 462 B11R1.267 COC1=CC=CC(CN)=C1O SBB080389 [1,1,0,0,0,0|1,0,0]=3 463 B11R1.267 COC1=CC=CC(CO)=C1O SBB064806 [1,1,0,0,0,0|1,0,0]=3 464 B11R1.267 COC1=CC=CC(OC)=C1N SBB027291 [1,1,0,0,0,0|1,0,0]=3 465 B11R1.267 COC1=CC=CC(OC)=C1O SBB056797 [1,1,0,0,0,0|1,0,0]=3 466 B11R1.14 CC1=CC(C#N)=CC(C)=C1O SBB005819 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.14 CC1=CC(C=O)=CC(C)=C1O SBB052180 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.14 COC1=CC(F)=C(O)C(F)=C1 SBB087410 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.14 CSC1=CC(C)=C(O)C(C)=C1 SBB072899 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.14 NCC1=CC(Cl)=C(O)C(Cl)=C1 SBB023636 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.14 O=CC1=CC(O)=C(O)C(Br)=C1 SBB035928 [1,1,0,0,0,0|1,0,1]=4 472 B11R1.14 O=CC1=CC(O)=C(O)C(O)=C1 SBB063074 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 SBB055073 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.21 CC(=O)C1=CC=C(C)C(C)=C1 SBB063673 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.21 CC(=O)C1=CC=C(O)C(C)=C1 SBB063472 [1,1,0,0,0,0|0,0,1]=3 476 B11R1.21 CC(=O)C1=CC=C(O)C(Cl)=C1 SBB088451 [1,1,0,0,0,0|1,0,1]=4 477 B11R1.21 CC(=O)C1=CC=C(O)C(F)=C1 SBB086987 [1,1,0,0,0,0|1,0,1]=4 478 B11R1.21 CC(=O)C1=CC=C(O)C(O)=C1 SBB061719 [1,1,0,0,0,0|0,0,1]=3 479 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 SBB013738 [1,1,0,0,0,0|1,0,0]=3 480 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 SBB009345 [1,1,0,0,0,0|1,0,0]=3 481 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 SBB060790 [1,1,0,0,0,0|1,0,0]=3 482 B11R1.21 CC1=CC(C(=O)O)=CC=C1O SBB017625 [1,1,0,0,0,0|1,0,1]=4 483 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 SBB061371 [1,1,0,0,0,0|1,0,1]=4 484 B11R1.21 O=N(=O)C1=CC(O)=C(O)C=C1 SBB058694 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.192 CCOC1=CC(Cl)=C(F)C=C1 SBB088965 [1,1,0,0,0,0|2,0,0]=4 486 B11R1.192 CCOC1=CC(F)=C(Cl)C=C1 SBB088963 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.192 CCOC1=CC(F)=C(F)C=C1 SBB087276 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.192 CCOC1=CC=C(N)C(F)=C1 SBB071686 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.192 NCCC1=CC(O)=C(O)C=C1 SBB003668 [1,1,0,0,0,0|0,0,0]=2 490 B11R1.192 NCCC1=CC=C(F)C(F)=C1 SBB084443 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.192 OC1=C(O)C=C(CCN)C=C1 SBB004044 [1,1,0,0,0,0|0,0,0]=2 492 B11R1.192 OCCC1=CC=C(F)C(Cl)=C1 SBB088968 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.192 OCCC1=CC=C(F)C(F)=C1 SBB087275 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.278 C(=O)C1=C(O)C(O)=C(O)C=C1 SBB058739 [1,1,0,0,0,0|1,0,1]=4 495 B11R1.278 COC1=C(C)C(C)=C(N)C=C1 SBB072957 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.278 COC1=C(Cl)C(O)=C(F)C=C1 SBB089210 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.278 COC1=C(F)C(O)=C(Cl)C=C1 SBB089209 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.278 COC1=C(F)C(O)=C(F)C=C1 SBB087407 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.278 COC1=CC=C(O)C(F)=C1F SBB055465 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.278 O=CC1=C(Cl)C(O)=C(O)C=C1 SBB035926 [1,1,0,0,0,0|1,0,1]=4 501 B11R1.279 C(=O)C1=CC=C(OC)C(C)=C1 SBB008533 [1,1,0,0,0,0|1,0,1]=4 502 B11R1.279 C(=O)C1=CC=C(OC)C(O)=C1 SBB008245 [1,1,0,0,0,0|1,0,1]=4 503 B11R1.279 COC1=C(Br)C=C(CO)C=C1 SBB110877 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 SBB093974 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.279 COC1=C(F)C=C(CCl)C=C1 SBB088970 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.279 COC1=C(F)C=C(CO)C=C1 SBB087143 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.279 COC1=C(O)C=C(CN)C=C1 SBB012609 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.279 COC1=CC(F)=C(OC)C=C1 SBB087138 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.279 COC1=CC(N)=C(OC)C=C1 SBB007581 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.279 COC1=CC(S)=C(OC)C=C1 SBB058944 [1,1,0,0,0,0|1,1,0]=4 511 B11R1.279 COC1=CC=C(C#N)C=C1O SBB013384 [1,1,0,0,0,0|1,0,1]=4 512 B11R1.279 COC1=CC=C(C=O)C(O)=C1 SBB063106 [1,1,0,0,0,0|1,0,1]=4 513 B11R1.279 COC1=CC=C(CBr)C=C1F SBB095696 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.279 COC1=CC=C(CN)C=C1F SBB087071 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.279 COC1=CC=C(CO)C(F)=C1 SBB064792 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.279 COC1=CC=C(CO)C=C1O SBB064953 [1,1,0,0,0,0|1,0,0]=3 517 B11R1.279 COC1=CC=C(OC)C(Cl)=C1 SBB116863 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.279 [NH3+]NC1=CC=C(OC)C=C1C SBB116868 [1,1,0,0,0,0|2,0,0]=4 519 B13R1.49 CCC(O)C1=CC=C(O)C(OC)=C1 SBB072693 [0,2,0,0,0,0|0,0,0]=2 520 B13R1.49 COC(=O)C1=CC=C(C)C(OC)=C1 SBB063349 [0,2,0,0,0,0|1,0,1]=4 521 B13R1.49 COC(=O)C1=CC=C(O)C(OC)=C1 SBB008281 [0,2,0,0,0,0|0,0,1]=3 522 B13R1.49 COC1=C(O)C=CC(C(O)C#N)=C1 SBB071697 [0,2,0,0,0,0|0,0,1]=3 523 B13R1.49 COC1=C(O)C=CC(C(O)CN)=C1 SBB003359 [0,2,0,0,0,0|0,0,0]=2 524 B13R1.50 CC(C)(C)C1=CC=C(O)C(C=O)=C1 SBB068765 [0,2,0,0,0,0|2,0,0]=4 525 B13R1.50 COC1=C(Cl)C=CC(C(F)(F)F)=C1 SBB094391 [0,2,0,0,0,0|2,0,0]=4 526 B13R1.50 COC1=C(F)C=CC(C(F)(F)F)=C1 SBB091695 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.298 COC1=CC(C(=O)O)=CC(Cl)=C1O SBB057991 [0,2,0,0,0,0|1,0,1]=4 528 B13R1.298 COC1=CC(C(=O)O)=CC(N)=C1O SBB115985 [0,2,0,0,0,0|1,0,1]=4 529 B13R1.354 CCOC1=CC(C(=O)O)=CC=C1O SBB010680 [0,2,0,0,0,0|1,0,1]=4 530 B13R1.3091 COC1=C(OC)C=C(B(O)O)C=C1 SBB048071 [0,2,0,0,0,0|2,0,0]=4 531 B13R1.3091 COC1=C(OC)C=C(C(=O)Cl)C=C1 SBB092670 [0,2,0,0,0,0|1,0,1]=4 532 B13R1.3091 COC1=C(OC)C=C(C(=O)O)C=C1 SBB040520 [0,2,0,0,0,0|1,0,1]=4 533 B13R1.3091 COC1=C(OC)C=C(C(C)N)C=C1 SBB009234 [0,2,0,0,0,0|0,0,0]=2 534 B13R1.3091 COC1=C(OC)C=C(C(N)=S)C=C1 SBB040953 [0,2,0,0,0,0|1,0,1]=4 535 B13R1.3091 COC1=CC=C(C(C)=O)C=C1OC SBB040247 [0,2,0,0,0,0|0,0,1]=3 536 B13R1.3091 COC1=CC=C(C(N)=O)C=C1OC SBB070253 [0,2,0,0,0,0|1,0,1]=4 537 B13R1.3091 COC1=CC=C([N+](=O)[O-])C=C1OC SBB068774 [0,2,0,0,0,0|2,0,0]=4 538 B13R1.3230 COC1=C(F)C(C(C)=O)=CC=C1F SBB090380 [0,2,0,0,0,0|1,0,1]=4 539 B13R1.99 COC1=CC(OC)=C(B(O)O)C=C1 SBB089843 [0,2,0,0,0,0|1,0,0]=3 540 B13R1.99 COC1=CC=C(C(=O)O)C(OC)=C1 SBB063086 [0,2,0,0,0,0|1,0,0]=3 541 B13R1.99 COC1=CC=C(C(=O)O)C(OC)=N1 SBB048106 [0,2,0,0,0,0|2,0,0]=4 542 B13R1.99 COC1=CC=C(C(C)=O)C(OC)=C1 SBB063154 [0,2,0,0,0,0|1,0,1]=4 543 B13R1.99 COC1=CC=C([N+](=O)[O-])C(OC)=C1 SBB064929 [0,2,0,0,0,0|1,0,1]=4 544 B13R1.355 CCOC1=C(OC)C=CC(C#N)=C1 SBB028879 [0,2,0,0,0,0|1,0,1]=4 545 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 SBB019903 [0,2,0,0,0,0|1,0,1]=4 546 B13R1.355 CCOC1=CC(CN)=CC=C1OC SBB010674 [0,2,0,0,0,0|1,0,0]=3 547 B13R1.355 COC1=CC=C(C=O)C=C1OCCl SBB092671 [0,2,0,0,0,0|1,0,1]=4 548 B13R1.355 COCC1=CC(C=O)=CC=C1OC SBB000215 [0,2,0,0,0,0|1,0,1]=4 549 B13R1.386 C=CCC1=CC(OC)=C(OC)C=C1 SBB007916 [0,2,0,0,0,0|0,0,1]=3 550 B13R1.386 CCCC1=CC(OC)=C(OC)C=C1 SBB007804 [0,2,0,0,0,0|0,0,0]=2 551 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 SBB010666 [0,2,0,0,0,0|0,0,0]=2 552 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 SBB050509 [0,2,0,0,0,0|0,0,1]=3 553 B13R1.386 COC1=C(OC)C=C(N=C=S)C=C1 SBB091895 [0,2,0,0,0,0|1,0,1]=4 554 B13R1.386 COC1=C(OC)C=C(\C=N\O)C=C1 SBB079282 [0,2,0,0,0,0|1,0,1]=4 555 B13R1.386 COCC1=CC=C(OC)C(C=O)=C1 SBB303208 [0,2,0,0,0,0|2,0,0]=4 556 B13R1.434 C(=O)C1=CC(Cl)=C(OC)C(OC)=C1 SBB003537 [0,2,0,0,0,0|1,0,1]=4 557 B13R1.434 C(=O)C1=CC(O)=C(OC)C(OC)=C1 SBB051422 [0,2,0,0,0,0|1,0,1]=4 558 B13R1.434 COC1=C(OC)C(Br)=CC(C=O)=C1 SBB012453 [0,2,0,0,0,0|1,0,1]=4 559 B13R1.434 COC1=C(OC)C(I)=CC(C=O)=C1 SBB020047 [0,2,0,0,0,0|1,0,1]=4 560 B13R1.434 COC1=CC(C#N)=CC(Br)=C1OC SBB016322 [0,2,0,0,0,0|1,0,1]=4 561 B13R1.434 COC1=CC(C#N)=CC(Cl)=C1OC SBB029049 [0,2,0,0,0,0|1,0,1]=4 562 B13R1.434 COC1=CC(C)=C(C=O)C(OC)=C1 SBB052179 [0,2,0,0,0,0|1,0,1]=4 563 B13R1.434 COC1=CC(OC)=C(C=O)C(O)=C1 SBB057381 [0,2,0,0,0,0|1,0,1]=4 564 B13R1.1249 CCOC1=C(OC)C=C(C#N)C=C1 SBB028805 [0,2,0,0,0,0|1,0,1]=4 565 B13R1.1249 CCOC1=C(OC)C=C(C=O)C=C1 SBB016655 [0,2,0,0,0,0|1,0,1]=4 566 B13R1.1249 COC1=CC(OC)=C(N=C=S)C=C1 SBB030515 [0,2,0,0,0,0|1,1,0]=4 567 B13R1.1249 COC1=CC=C(N=C=O)C(OC)=C1 SBB048861 [0,2,0,0,0,0|1,0,1]=4 568 B13R1.2200 C(=O)C1=CC(Br)=C(OC)C=C1OC SBB000845 [0,2,0,0,0,0|1,0,1]=4 569 B13R1.2200 C(=O)C1=CC(OC)=C(OC)C=C1Br SBB003186 [0,2,0,0,0,0|1,0,1]=4 570 B13R1.2200 COC1=C(OC)C=C(C#N)C(Br)=C1 SBB029351 [0,2,0,0,0,0|1,0,1]=4 571 B13R1.2200 COC1=C(OC)C=C(C=O)C(C)=C1 SBB089663 [0,2,0,0,0,0|1,0,1]=4 572 B13R1.2200 COC1=C(OC)C=C(C=O)C(Cl)=C1 SBB035870 [0,2,0,0,0,0|1,0,1]=4 573 B13R1.2200 COC1=CC(Br)=C(CO)C=C1OC SBB009910 [0,2,0,0,0,0|1,0,0]=3 574 B13R1.2200 COC1=CC(Cl)=C(CN)C=C1OC SBB080663 [0,2,0,0,0,0|1,0,0]=3 575 B13R1.2200 COC1=CC(F)=C(C=O)C=C1OC SBB064703 [0,2,0,0,0,0|1,0,1]=4 576 B13R1.2200 COC1=CC(N)=C(C#N)C=C1OC SBB002931 [0,2,0,0,0,0|1,0,1]=4 577 B13R1.2422 C(=O)C1=CC=C(OC)C(OC)=C1Cl SBB003539 [0,2,0,0,0,0|1,0,1]=4 578 B13R1.2422 COC1=C(OC)C(Cl)=C(C#N)C=C1 SBB092213 [0,2,0,0,0,0|1,0,1]=4 579 B13R1.2422 COC1=C(OC)C(O)=C(C=O)C=C1 SBB079106 [0,2,0,0,0,0|1,0,1]=4 580 B13R1.2430 COC1=CC=C(OC)C(C(C)=O)=C1 SBB040858 [0,2,0,0,0,0|2,0,0]=4 581 B13R1.2430 COC1=CC=C(OC)C(C(C)N)=C1 SBB007058 [0,2,0,0,0,0|2,0,0]=4 582 B13R1.384 CCOC1=C(O)C=CC(\C=N\O)=C1 SBB028718 [0,2,0,0,0,0|1,0,1]=4 583 B13R1.2431 CCC(=O)C1=CC(OC)=CC=C1O SBB019466 [0,2,0,0,0,0|2,0,0]=4 584 B13R1.2431 COC(=O)C1=CC(OC)=CC=C1Br SBB063348 [0,2,0,0,0,0|2,0,0]=4 585 B13R1.2900 CCOC1=C(O)C=C(Br)C(C#N)=C1 SBB019888 [0,2,0,0,0,0|1,0,1]=4 586 B13R1.2900 CCOC1=C(O)C=C(Br)C(C=O)=C1 SBB019887 [0,2,0,0,0,0|1,0,1]=4 587 B13R1.2900 CCOC1=C(O)C=C(Cl)C(C=O)=C1 SBB035834 [0,2,0,0,0,0|1,0,1]=4 588 B13R1.2900 COC1=C(O)C=C(Br)C(\C=N\O)=C1 SBB028705 [0,2,0,0,0,0|1,0,1]=4 589 B13R1.3981 CCOC1=C(O)C(Br)=CC(C#N)=C1 SBB019886 [0,2,0,0,0,0|1,0,1]=4 590 B13R1.3981 CCOC1=C(O)C(Cl)=CC(C=O)=C1 SBB019884 [0,2,0,0,0,0|1,0,1]=4 591 B13R1.3981 CCOC1=C(O)C(I)=CC(C#N)=C1 SBB028742 [0,2,0,0,0,0|1,0,1]=4 592 B13R1.3981 CCOC1=C(O)C(I)=CC(C=O)=C1 SBB019891 [0,2,0,0,0,0|1,0,1]=4 593 B13R1.3981 CCOC1=CC(C=O)=CC(Br)=C1O SBB006978 [0,2,0,0,0,0|1,0,1]=4 594 B13R1.4021 CCOC1=C(F)C(CBr)=CC=C1F SBB100876 [0,2,0,0,0,0|2,0,0]=4 595 B13R1.4021 CCOC1=C(F)C(CN)=CC=C1F SBB090551 [0,2,0,0,0,0|2,0,0]=4 596 B13R1.4021 CCOC1=C(F)C(CO)=CC=C1F SBB090726 [0,2,0,0,0,0|2,0,0]=4 597 B13R1.52 COC1=C(O)C=CC(CC(C)=O)=C1 SBB071418 [0,2,0,0,0,0|0,0,0]=2 598 B13R1.52 COC1=CC(CC(=O)O)=CC=C1O SBB063413 [0,2,0,0,0,0|0,0,1]=3 599 B13R1.4030 COC1=C(O)C(Br)=CC(\C=N\O)=C1 SBB016331 [0,2,0,0,0,0|1,0,1]=4 600 B13R1.4030 COC1=C(O)C(I)=CC(\C=N\O)=C1 SBB028714 [0,2,0,0,0,0|1,0,1]=4 601 B13R1.4030 COC1=CC(\C=N\O)=CC(N)=C1O SBB116001 [0,2,0,0,0,0|1,0,1]=4 602 B13R1.425 COC1=C(O)C(Br)=C(Br)C(C#N)=C1 SBB019881 [0,2,0,0,0,0|1,0,1]=4 603 B13R1.425 COC1=C(O)C(Br)=C(Cl)C(C=O)=C1 SBB035882 [0,2,0,0,0,0|1,0,1]=4 604 B13R1.425 COC1=C(O)C(I)=C(Br)C(C=O)=C1 SBB035837 [0,2,0,0,0,0|1,0,1]=4 605 B13R1.425 COC1=C(O)C(I)=C(Cl)C(C=O)=C1 SBB035839 [0,2,0,0,0,0|1,0,1]=4 606 B13R1.433 C(=O)C1=CC(OC)=C(O)C(OC)=C1 SBB007558 [0,2,0,0,0,0|1,0,1]=4 607 B13R1.433 COC1=C(O)C(C=O)=CC(C=O)=C1 SBB061647 [0,2,0,0,0,0|1,0,1]=4 608 B13R1.433 COC1=CC(CO)=CC(OC)=C1O SBB058585 [0,2,0,0,0,0|1,0,0]=3 609 B13R1.433 COC1=CC(OC)=C(N)C(OC)=C1 SBB051776 [0,2,0,0,0,0|2,0,0]=4 610 B13R1.437 COC1=CC(C(C)=O)=C(O)C(Cl)=C1 SBB051607 [0,2,0,0,0,0|2,0,0]=4 611 B13R1.98 COC1=CC(C(C)(C)C)=C(O)C=C1 SBB043781 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.44 COC(=O)C1=CC=C(CCl)O1 SBB003794 [0,0,1,1,0,0|2,0,0]=4 613 B11R2.36 BrC1=CC2=C(C=C1)OCC2 SBB092410 [1,0,0,1,0,0|2,0,0]=4 614 B11R2.36 BrC1=CC=C2OCOC2=C1 SBB006662 [1,0,0,1,0,0|1,0,0]=3 615 B11R2.36 CC1=CC=C2OC=NC2=C1 SBB055992 [1,0,0,1,0,0|1,0,1]=4 616 B11R2.36 ClC1=CC=C2OCOC2=C1 SBB059574 [1,0,0,1,0,0|1,0,0]=3 617 B11R2.36 IC1=CC=C2OCCC2=C1 SBB100062 [1,0,0,1,0,0|2,0,0]=4 618 B11R2.36 NC1=CC=C2OCOC2=C1 SBB028254 [1,0,0,1,0,0|1,0,0]=3 619 B11R2.36 OC1=CC2=C(C=C1)OCO2 SBB085996 [1,0,0,1,0,0|1,0,0]=3 620 B13R2.430 CC(=O)C1=CC=C2OCCC2=C1 SBB087613 [0,1,0,1,0,0|1,0,1]=4 621 B13R2.430 CC(=O)C1=CC=C2OCOC2=C1 SBB007858 [0,1,0,1,0,0|0,0,1]=3 622 B13R2.430 CC(N)C1=CC2=C(C=C1)CCC2 SBB085478 [0,1,0,1,0,0|2,0,0]=4 623 B13R2.430 CC(N)C1=CC2=C(C=C1)OCO2 SBB020945 [0,1,0,1,0,0|0,0,0]=2 624 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCO2 SBB056143 [0,1,0,1,0,0|1,0,1]=4 625 B13R2.430 NC(=S)C1=CC2=C(C=C1)OCO2 SBB089807 [0,1,0,1,0,0|1,0,1]=4 626 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 SBB003897 [0,1,0,1,0,0|1,0,1]=4 627 B13R2.430 OB(O)C1=CC=C2OCOC2=C1 SBB003898 [0,1,0,1,0,0|2,0,0]=4 628 B13R2.57 CCC1=CC2=C(C=C1)CCCC2 SBB061515 [0,1,0,1,0,0|2,0,0]=4 629 B13R2.57 CCC1=CC=C2NCCCC2=C1 SBB072920 [0,1,0,1,0,0|2,0,0]=4 630 B13R2.57 CNC1=CC2=C(C=C1)OCCO2 SBB010456 [0,1,0,1,0,0|1,0,0]=3 631 B13R2.57 N#CC1=CC=C2OCCOC2=C1 SBB019218 [0,1,0,1,0,0|1,0,1]=4 632 B13R2.57 NCC1=CC2=C(C=C1)OCCC2 SBB087706 [0,1,0,1,0,0|2,0,0]=4 633 B13R2.57 NCC1=CC2=C(C=C1)OCCO2 SBB052497 [0,1,0,1,0,0|1,0,0]=3 634 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 SBB003914 [0,1,0,1,0,0|1,0,1]=4 635 B13R2.2130 COC1=CC=C2C(=O)COC2=C1 SBB038186 [0,1,0,1,0,0|1,0,1]=4 636 B13R2.2121 CC1CC2=C(C=CC(CN)=C2)O1 SBB010441 [0,1,0,1,0,0|2,0,0]=4 637 B13R2.2121 CC1CC2=C(C=CC(CO)=C2)O1 SBB303432 [0,1,0,1,0,0|2,0,0]=4 638 B13R2.449 BrCCC1=CC2=C(C=C1)OCC2 SBB054960 [0,1,0,1,0,0|1,0,0]=3 639 B13R2.449 C\C=C\C1=CC2=C(C=C1)OCO2 SBB012358 [0,1,0,1,0,0|0,0,1]=3 640 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 SBB003528 [0,1,0,1,0,0|0,0,0]=2 641 B13R2.599 CC1=C(C=O)C=C2OCOC2=C1 SBB300950 [0,1,0,1,0,0|1,0,1]=4 642 B13R2.599 COC1=CC2=C(C=C1N)OCO2 SBB014408 [0,1,0,1,0,0|1,0,0]=3 643 B13R2.599 ClCC1=CC2=C(C=C1Cl)OCO2 SBB057379 [0,1,0,1,0,0|1,0,0]=3 644 B13R2.599 N#CC1=C(N)C=C2OCOC2=C1 SBB002455 [0,1,0,1,0,0|1,0,1]=4 645 B13R2.599 NCC1=CC2=C(C=C1Br)OCO2 SBB051483 [0,1,0,1,0,0|1,0,0]=3 646 B13R2.599 O=CC1=CC2=C(C=C1Br)OCO2 SBB001594 [0,1,0,1,0,0|1,0,1]=4 647 B13R2.599 O=CC1=CC2=C(C=C1Cl)OCO2 SBB027268 [0,1,0,1,0,0|1,0,1]=4 648 B13R2.599 OCC1=CC2=C(C=C1Cl)OCO2 SBB116839 [0,1,0,1,0,0|1,0,0]=3 649 B13R2.654 O=CC1=CC(Cl)=C2OCOC2=C1 SBB027803 [0,1,0,1,0,0|1,0,1]=4 650 B9R1.14 COC1=CSC=C1OC SBB042426 [1,0,0,0,1,0|2,0,0]=4 651 B9R1.14 N1C=C(CC)C(CC)=C1 SBB059631 [1,0,0,0,1,0|2,0,0]=4 652 B11R1.265 COC1=C(CBr)C=CC=C1F SBB095698 [0,0,0,0,1,1|2,0,0]=4 653 B11R1.265 COC1=C(CN)C=CC=C1F SBB087072 [0,0,0,0,1,1|2,0,0]=4 654 B11R1.265 COC1=C(CO)C=CC=C1F SBB087135 [0,0,0,0,1,1|2,0,0]=4 655 B11R1.265 COC1=CC=CC(N)=C1OC SBB036148 [0,0,0,0,1,1|2,0,0]=4