0 B12R1.270 C(=O)C1=CC=C(O)C(OCC)=C1 SBB008268 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.270 CCOC1=C(O)C=CC(C#N)=C1 SBB019883 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.270 CCOC1=C(O)C=CC(CN)=C1 SBB027126 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.182 CCOC1=C(Cl)C=CC(F)=C1 SBB088978 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.182 CCOC1=C(O)C=CC(C)=C1 SBB007984 [1,0,0,0,0,0|0,0,1]=2 5 B11R1.189 C(=O)C1=CC(OCC)=CC=C1 SBB004072 [1,0,0,0,0,0|0,0,0]=1 6 B11R1.280 C(=O)C1=CC(OC)=C(O)C=C1 SBB000108 [1,0,0,0,0,0|0,0,0]=1 7 B11R1.280 C(=O)C1=CC=C(C)C(OC)=C1 SBB008620 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.280 CCC1=C(N)C=CC(C#N)=C1 SBB086499 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.280 CCC1=CC(OC)=C(O)C=C1 SBB008068 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.280 COC1=C(F)C=CC(CO)=C1 SBB054758 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.280 COC1=C(O)C=CC(C#N)=C1 SBB019877 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.280 COC1=C(O)C=CC(CN)=C1 SBB003667 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.280 COC1=CC(C#N)=CC=C1F SBB063008 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.280 COC1=CC(C=O)=CC=C1F SBB063627 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.280 COC1=CC(CO)=CC=C1O SBB058789 [1,0,0,0,0,0|0,0,2]=3 16 B11R1.280 COC1=CC=C(N)C(OC)=C1 SBB040471 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.280 N#CC1=C(F)C=CC(C=O)=C1 SBB047257 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.97 CN(C)CC1=CC(C=O)=CC=C1O SBB010637 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.354 CCCC1=C(O)C=CC(C(=O)O)=C1 SBB072085 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.354 CCOC1=CC(C(=O)O)=CC=C1O SBB010680 [0,1,0,0,0,0|0,0,0]=1 21 B13R1.355 CCOC1=C(OC)C=CC(C#N)=C1 SBB028879 [0,1,0,0,0,0|1,0,1]=3 22 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 SBB019903 [0,1,0,0,0,0|0,0,0]=1 23 B13R1.355 CCOC1=CC(CN)=CC=C1OC SBB010674 [0,1,0,0,0,0|1,0,1]=3 24 B13R1.355 COC1=CC=C(C=O)C=C1OCCl SBB092671 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.355 COCC1=CC(C=O)=CC=C1OC SBB000215 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.384 CCOC1=C(O)C=CC(\C=N\O)=C1 SBB028718 [0,1,0,0,0,0|0,0,1]=2 27 B13R1.2431 CCC(=O)C1=CC(OC)=CC=C1O SBB019466 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.2900 CCOC1=C(O)C=C(Br)C(C#N)=C1 SBB019888 [0,1,0,0,0,0|1,0,1]=3 29 B13R1.2900 CCOC1=C(O)C=C(Br)C(C=O)=C1 SBB019887 [0,1,0,0,0,0|0,0,0]=1 30 B13R1.2900 CCOC1=C(O)C=C(Cl)C(C=O)=C1 SBB035834 [0,1,0,0,0,0|0,0,0]=1 31 B13R1.3981 CCOC1=C(O)C(Br)=CC(C#N)=C1 SBB019886 [0,1,0,0,0,0|1,0,1]=3 32 B13R1.3981 CCOC1=C(O)C(Cl)=CC(C=O)=C1 SBB019884 [0,1,0,0,0,0|0,0,0]=1 33 B13R1.3981 CCOC1=C(O)C(I)=CC(C#N)=C1 SBB028742 [0,1,0,0,0,0|1,0,1]=3 34 B13R1.3981 CCOC1=C(O)C(I)=CC(C=O)=C1 SBB019891 [0,1,0,0,0,0|0,0,0]=1 35 B13R1.3981 CCOC1=CC(C=O)=CC(Br)=C1O SBB006978 [0,1,0,0,0,0|0,0,0]=1 36 B13R1.4021 C(=O)C1=CC=C(F)C(OCC)=C1F SBB090375 [0,1,0,0,0,0|1,0,0]=2 37 B13R1.4021 CCOC1=C(F)C(C#N)=CC=C1F SBB090000 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.4021 CCOC1=C(F)C(CBr)=CC=C1F SBB100876 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.4021 CCOC1=C(F)C(CN)=CC=C1F SBB090551 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.4021 CCOC1=C(F)C(CO)=CC=C1F SBB090726 [0,1,0,0,0,0|1,0,2]=4 41 B13R2.57 CNC1=CC2=C(C=C1)OCCO2 SBB010456 [0,0,0,1,0,0|2,0,0]=3 42 B13R2.57 N#CC1=CC=C2OCCOC2=C1 SBB019218 [0,0,0,1,0,0|1,0,1]=3 43 B13R2.57 NCC1=CC2=C(C=C1)OCCC2 SBB087706 [0,0,0,1,0,0|2,0,1]=4 44 B13R2.57 NCC1=CC2=C(C=C1)OCCO2 SBB052497 [0,0,0,1,0,0|1,0,1]=3 45 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 SBB003914 [0,0,0,1,0,0|0,0,0]=1 46 B13R2.2121 CC1CC2=C(C=CC(C=O)=C2)O1 SBB010436 [0,0,0,1,0,0|1,0,0]=2 47 B13R2.2121 CC1CC2=C(C=CC(CN)=C2)O1 SBB010441 [0,0,0,1,0,0|2,0,1]=4 48 B13R2.2121 CC1CC2=C(C=CC(CO)=C2)O1 SBB303432 [0,0,0,1,0,0|1,0,2]=4 49 B13R2.2121 CC1CC2=CC(C#N)=CC=C2O1 SBB019240 [0,0,0,1,0,0|2,0,1]=4 50 B11R1.185 CCCC1=C(Br)C=C(C=O)S1 SBB024097 [0,0,0,0,1,0|3,0,0]=4 51 B10R1.4 CCCC1=CC=CC=C1N SBB085906 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.4 CCNC1=CC=CC=C1N SBB111820 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.4 CCOC1=C(F)C=CC=C1 SBB086154 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.4 CCOC1=C(N)N=CC=C1 SBB014971 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.4 CCOC1=CC=CC=C1C SBB060978 [2,0,0,0,0,0|1,0,0]=3 56 B10R1.4 CCOC1=CC=CC=C1Cl SBB061024 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.4 CCOC1=CC=CC=C1O SBB060424 [2,0,0,0,0,0|0,0,0]=2 58 B10R1.4 C\C=C\C1=C(O)C=CC=C1 SBB071429 [2,0,0,0,0,0|1,0,1]=4 59 B10R1.4 NC1=C(OCC)C=CC=C1 SBB006726 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.10 CCOC1=CC(N)=CC=C1 SBB059860 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.10 CCOC1=CC=CC(C)=C1 SBB060989 [2,0,0,0,0,0|0,0,1]=3 62 B10R1.10 CCOC1=CC=CC(O)=C1 SBB005788 [2,0,0,0,0,0|0,0,1]=3 63 B10R1.30 CCC1=C(O)C=CC(C)=N1 SBB080737 [2,0,0,0,0,0|1,0,1]=4 64 B10R1.30 CCC1=NC(C)=CC=C1O SBB080762 [2,0,0,0,0,0|1,0,1]=4 65 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 SBB059051 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.30 COC1=C(Br)C=CC(F)=C1 SBB093400 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.30 COC1=C(Br)C=CC(N)=C1 SBB059059 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.30 COC1=C(C)C=CC(Cl)=C1 SBB059060 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.30 COC1=C(C)C=CC(F)=C1 SBB086158 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.30 COC1=C(C)C=CC(N)=C1 SBB085977 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 SBB059053 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.30 COC1=C(F)C=CC(F)=C1 SBB086327 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.30 COC1=C(O)C=CC(C)=C1 SBB008258 [2,0,0,0,0,0|0,0,1]=3 74 B10R1.30 COC1=C(O)C=CC(N)=C1 SBB010275 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.30 COC1=CC(Br)=CC=C1N SBB051732 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.30 COC1=CC(C)=CC=C1F SBB086162 [2,0,0,0,0,0|1,0,1]=4 77 B10R1.30 COC1=CC(Cl)=CC=C1N SBB085532 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.30 COC1=CC(F)=CC=C1O SBB055422 [2,0,0,0,0,0|1,0,0]=3 79 B10R1.30 COC1=CC(N)=CC=C1Cl SBB070068 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.30 OCC1=CC(Br)=CC=C1O SBB054777 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.30 [NH3+]C1=CC=C(Br)C=C1CC SBB058409 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.172 COC1=CC(C=O)=CC=C1 SBB040264 [2,0,0,0,0,0|0,0,0]=2 83 B10R1.172 COC1=CC(CN)=CC=C1 SBB061735 [2,0,0,0,0,0|1,0,1]=4 84 B10R1.172 COC1=CC(CO)=CC=C1 SBB063359 [2,0,0,0,0,0|0,0,2]=4 85 B10R1.172 COC1=CC(NN)=CC=C1 SBB064981 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.172 COC1=CC=CC(C#N)=C1 SBB055059 [2,0,0,0,0,0|1,0,1]=4 87 B10R1.172 COC1=CC=CC(CBr)=C1 SBB054900 [2,0,0,0,0,0|1,0,1]=4 88 B10R1.172 COC1=CC=CC(CCl)=C1 SBB040609 [2,0,0,0,0,0|1,0,1]=4 89 B10R1.172 COC1=CC=CC(OC)=C1 SBB060066 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.172 COC1=CN=CC(C=O)=C1 SBB052243 [2,0,0,0,0,0|1,0,0]=3 91 B10R1.172 N#CC1=CC(C=O)=CC=C1 SBB063181 [2,0,0,0,0,0|1,0,1]=4 92 B10R1.172 O=CC1=CC(CBr)=CC=C1 SBB052151 [2,0,0,0,0,0|1,0,0]=3 93 B10R1.172 O=CC1=CC=CC(C=O)=C1 SBB063365 [2,0,0,0,0,0|1,0,1]=4 94 B10R1.176 C(=O)C1=CC(Cl)=C(F)C=C1 SBB003984 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.176 C(=O)C1=CC(F)=C(Cl)C=C1 SBB003986 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.176 C(=O)C1=CC=C(C)C(F)=C1 SBB086003 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.176 CC1=C(Cl)N=CC(C=O)=C1 SBB087089 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.176 CC1=CC(C=O)=CC=C1F SBB063863 [2,0,0,0,0,0|1,0,0]=3 99 B10R1.176 CC1=CC=C(C=O)C=C1C SBB063355 [2,0,0,0,0,0|1,0,0]=3 100 B10R1.176 N#CC1=CC=C(O)C(O)=C1 SBB008582 [2,0,0,0,0,0|1,0,1]=4 101 B10R1.176 O=CC1=CC(Cl)=C(Cl)C=C1 SBB016342 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.176 O=CC1=CC(F)=C(O)C=C1 SBB048182 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.176 O=CC1=CC=C(Br)C(F)=C1 SBB064036 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.176 O=CC1=CC=C(F)C(Br)=C1 SBB058416 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.176 O=CC1=CC=C(F)C(F)=C1 SBB063182 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.176 O=CC1=CC=C(O)C(Br)=C1 SBB063051 [2,0,0,0,0,0|1,0,0]=3 107 B10R1.176 O=CC1=CC=C(O)C(Cl)=C1 SBB005887 [2,0,0,0,0,0|1,0,0]=3 108 B10R1.176 O=CC1=CC=C(O)C(O)=C1 SBB040269 [2,0,0,0,0,0|0,0,0]=2 109 B12R1.354 CCC(=O)C1=C(O)C=CC(F)=C1 SBB071483 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.354 CCC(=O)C1=C(O)C=CC(N)=C1 SBB000153 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.354 CCC(=O)C1=C(O)C=CC(O)=C1 SBB071479 [1,1,0,0,0,0|1,0,1]=4 112 B12R1.374 CC1=CC(OCCN)=C(C)C=C1 SBB018387 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.374 CC1=CC(OCCN)=C(Cl)C=C1 SBB050378 [1,1,0,0,0,0|1,0,1]=4 114 B12R1.374 CC1=CC=C(C)C(OCCBr)=C1 SBB011587 [1,1,0,0,0,0|1,0,1]=4 115 B12R1.374 COCOC1=C(F)C=CC(F)=C1 SBB088869 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.374 NCCOC1=C(Cl)C=CC(Cl)=C1 SBB050364 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.497 CCOC1=C(F)C(N)=CC=C1F SBB088752 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.497 CCOC1=C(F)C(O)=CC=C1F SBB088877 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.278 CCOC1=CC(CCN)=CC=C1 SBB017676 [1,1,0,0,0,0|1,0,1]=4 120 B12R1.278 CCOC1=CC=CC(OCC)=C1 SBB060990 [1,1,0,0,0,0|1,0,1]=4 121 B12R1.279 CCCC1=NC=CC(C(=O)O)=C1 SBB072317 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.279 CCOC1=CC(C(C)=O)=CC=C1 SBB046295 [1,1,0,0,0,0|0,0,0]=2 123 B12R1.279 CCOC1=CC=CC(C(=O)O)=C1 SBB015074 [1,1,0,0,0,0|0,0,0]=2 124 B12R1.279 CCOC1=CC=CC(C(=O)O)=N1 SBB052858 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.279 CCOC1=CC=CC(C(C)N)=C1 SBB046788 [1,1,0,0,0,0|1,0,1]=4 126 B12R1.279 CCOC1=CC=CC([N+](=O)[O-])=C1 SBB064694 [1,1,0,0,0,0|1,0,0]=3 127 B12R1.280 C(=O)C1=C(O)C(OCC)=CC=C1 SBB008590 [1,1,0,0,0,0|0,0,0]=2 128 B12R1.286 CCOC1=CC(C=O)=C(O)C=C1 SBB085314 [1,1,0,0,0,0|0,0,0]=2 129 B12R1.382 C#CCOC1=CC=CC(C=O)=C1 SBB302068 [1,1,0,0,0,0|0,0,1]=3 130 B12R1.382 CCCOC1=CC(C=O)=CC=C1 SBB009935 [1,1,0,0,0,0|0,0,0]=2 131 B12R1.382 COC1=CC(OCCN)=CC=C1 SBB016461 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.382 COC1=CC=CC(OCCBr)=C1 SBB011620 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.382 O=CC1=CC(OCCO)=CC=C1 SBB052152 [1,1,0,0,0,0|0,0,0]=2 134 B12R1.438 CC(=O)OC1=CC=CC(C=O)=C1 SBB064213 [1,1,0,0,0,0|0,0,1]=3 135 B12R1.438 CC(C)OC1=CC(CN)=CC=C1 SBB010164 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.438 CC(C)OC1=CC=CC(C=O)=C1 SBB009948 [1,1,0,0,0,0|0,0,0]=2 137 B12R1.438 O=CC1=CC=CC(OC(F)F)=C1 SBB064711 [1,1,0,0,0,0|1,0,0]=3 138 B12R1.56 CCC1=C(F)C=CC(C(=O)O)=C1 SBB068721 [1,1,0,0,0,0|1,0,0]=3 139 B12R1.56 CNC1=CC(C(=O)O)=CC=C1O SBB072315 [1,1,0,0,0,0|1,0,0]=3 140 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 SBB056804 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 SBB008019 [1,1,0,0,0,0|1,0,0]=3 142 B12R1.56 COC1=CC(C(=O)O)=CC=C1C SBB048279 [1,1,0,0,0,0|1,0,0]=3 143 B12R1.56 COC1=CC(C(=O)O)=CC=C1Cl SBB008504 [1,1,0,0,0,0|1,0,0]=3 144 B12R1.56 COC1=CC(C(=O)O)=CC=C1F SBB051453 [1,1,0,0,0,0|1,0,0]=3 145 B12R1.56 COC1=CC(C(=O)O)=CC=C1N SBB008622 [1,1,0,0,0,0|1,0,0]=3 146 B12R1.56 COC1=CC(C(=O)O)=CC=C1O SBB008280 [1,1,0,0,0,0|0,0,0]=2 147 B12R1.56 COC1=CC(C(C)=O)=CC=C1F SBB064944 [1,1,0,0,0,0|1,0,0]=3 148 B12R1.56 COC1=CC(C(C)=O)=CC=C1O SBB008060 [1,1,0,0,0,0|0,0,0]=2 149 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1Br SBB055504 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1C SBB065728 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1Cl SBB065746 [1,1,0,0,0,0|2,0,0]=4 152 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1I SBB064459 [1,1,0,0,0,0|2,0,0]=4 153 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1[O-] SBB005407 [1,1,0,0,0,0|1,0,1]=4 154 B12R1.56 NCC1=C(O)C=CC(C(=O)O)=C1 SBB071736 [1,1,0,0,0,0|1,0,0]=3 155 B12R1.56 O=[N+]([O-])C1=CC=C(O)C(CO)=C1 SBB088246 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 SBB014717 [1,1,0,0,0,0|2,0,0]=4 157 B12R1.78 COC1=C(CCl)C=C(C=O)C=C1 SBB006784 [1,1,0,0,0,0|1,0,0]=3 158 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 SBB028801 [1,1,0,0,0,0|1,0,1]=4 159 B12R1.78 COC1=C(OC)C=C(CN)C=C1 SBB042487 [1,1,0,0,0,0|1,0,1]=4 160 B12R1.78 COC1=C(OC)C=C(CO)C=C1 SBB058837 [1,1,0,0,0,0|0,0,2]=4 161 B12R1.78 COC1=CC=C(C=O)C=C1CO SBB300126 [1,1,0,0,0,0|1,0,0]=3 162 B12R1.78 COC1=CC=C(C=O)C=C1OC SBB040236 [1,1,0,0,0,0|0,0,0]=2 163 B12R1.78 COC1=CC=C(CO)C(OC)=C1 SBB063101 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.300 COC1=C(O)C(Br)=CC(C#N)=C1 SBB019879 [1,1,0,0,0,0|1,0,1]=4 165 B12R1.300 COC1=C(O)C(Cl)=CC(C#N)=C1 SBB019878 [1,1,0,0,0,0|1,0,1]=4 166 B12R1.300 COC1=C(O)C(Cl)=CC(C=O)=C1 SBB001593 [1,1,0,0,0,0|0,0,0]=2 167 B12R1.300 COC1=C(O)C(I)=CC(C#N)=C1 SBB019882 [1,1,0,0,0,0|1,0,1]=4 168 B12R1.300 COC1=CC(C#N)=CC(N)=C1O SBB115983 [1,1,0,0,0,0|1,0,1]=4 169 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O SBB016336 [1,1,0,0,0,0|0,0,0]=2 170 B12R1.300 COC1=CC(C=O)=CC(O)=C1O SBB042846 [1,1,0,0,0,0|0,0,0]=2 171 B12R1.300 OC1=C(OC)C=C(C=O)C=C1I SBB006927 [1,1,0,0,0,0|0,0,0]=2 172 B12R1.449 COC1=C(O)C=C(Br)C(C#N)=C1 SBB028709 [1,1,0,0,0,0|1,0,1]=4 173 B12R1.449 COC1=C(O)C=C(Br)C(C=O)=C1 SBB019880 [1,1,0,0,0,0|0,0,0]=2 174 B12R1.449 COC1=C(O)C=C(Cl)C(C=O)=C1 SBB010751 [1,1,0,0,0,0|0,0,0]=2 175 B12R1.449 COC1=CC(C=O)=C(O)C=C1O SBB072148 [1,1,0,0,0,0|0,0,0]=2 176 B12R1.453 C(=O)C1=CC=C(O)C([N+](=O)[O-])=C1 SBB008631 [1,1,0,0,0,0|2,0,0]=4 177 B12R1.453 O=CC1=CC=C(O)C(C(=O)O)=C1 SBB065186 [1,1,0,0,0,0|1,0,1]=4 178 B12R1.654 C(=O)C1=CC=C(F)C(OC)=C1F SBB088595 [1,1,0,0,0,0|1,0,0]=3 179 B14R1.2336 C(=O)C1=CC=C(Cl)C(OC(F)(F)F)=C1 SBB096705 [0,2,0,0,0,0|2,0,0]=4 180 B14R1.2336 C(=O)C1=CC=C(F)C(OC(F)(F)F)=C1 SBB093987 [0,2,0,0,0,0|2,0,0]=4 181 B14R1.3723 COC1=C(CN(C)C)C=C(C=O)C=C1 SBB010892 [0,2,0,0,0,0|2,0,0]=4 182 B14R1.3723 COC1=C(OC(F)F)C=C(C=O)C=C1 SBB011023 [0,2,0,0,0,0|1,0,0]=3 183 B14R1.3723 COC1=CC=C(C=O)C=C1OC(C)C SBB009339 [0,2,0,0,0,0|0,0,0]=2 184 B14R1.436 CCCC1=C(O)C=CC(C(=O)OC)=C1 SBB072962 [0,2,0,0,0,0|1,0,0]=3 185 B14R1.441 CCOC1=CC(C(=O)O)=CC=C1OC SBB091983 [0,2,0,0,0,0|0,0,0]=2 186 B14R1.706 COC(=O)C1=CC(C(C)=O)=CC=C1O SBB053720 [0,2,0,0,0,0|2,0,0]=4 187 B14R1.5389 CCOC1=C(F)C(C(=O)Cl)=CC=C1F SBB096041 [0,2,0,0,0,0|1,0,0]=3 188 B14R1.5389 CCOC1=C(F)C(C(=O)O)=CC=C1F SBB092888 [0,2,0,0,0,0|1,0,0]=3 189 B14R1.5389 CCOC1=C(F)C(C(C)=O)=CC=C1F SBB092582 [0,2,0,0,0,0|1,0,0]=3 190 B14R1.5389 CCOC1=C(F)C(C(N)=O)=CC=C1F SBB092742 [0,2,0,0,0,0|1,0,0]=3 191 B14R1.759 C#CCOC1=C(OC)C=CC(C=O)=C1 SBB018007 [0,2,0,0,0,0|0,0,1]=3 192 B14R1.759 CCCOC1=CC(C=O)=CC=C1OC SBB020856 [0,2,0,0,0,0|0,0,0]=2 193 B14R1.759 CCOCC1=CC(C=O)=CC=C1OC SBB009255 [0,2,0,0,0,0|0,0,0]=2 194 B14R1.5236 CCOC1=CC=C(C=O)C=C1OCC SBB016658 [0,2,0,0,0,0|0,0,0]=2 195 B14R1.5236 CCOC1=CC=C(CN)C=C1OCC SBB009350 [0,2,0,0,0,0|1,0,1]=4 196 B14R1.5317 CCOC1=C(OC)C(Br)=CC(C#N)=C1 SBB029263 [0,2,0,0,0,0|1,0,1]=4 197 B14R1.5317 CCOC1=C(OC)C(Br)=CC(C=O)=C1 SBB019949 [0,2,0,0,0,0|0,0,0]=2 198 B14R1.5317 CCOC1=C(OC)C(Cl)=CC(CN)=C1 SBB035984 [0,2,0,0,0,0|1,0,1]=4 199 B14R1.5317 CCOC1=C(OC)C(I)=CC(C=O)=C1 SBB020060 [0,2,0,0,0,0|0,0,0]=2 200 B14R1.5317 CCOC1=CC(C=O)=CC(Cl)=C1OC SBB019929 [0,2,0,0,0,0|0,0,0]=2 201 B14R1.15069 CCOC1=C(OC)C=C(Br)C(C#N)=C1 SBB029423 [0,2,0,0,0,0|1,0,1]=4 202 B14R1.15069 CCOC1=C(OC)C=C(Br)C(C=O)=C1 SBB019994 [0,2,0,0,0,0|0,0,0]=2 203 B14R1.15069 CCOC1=C(OC)C=C(Br)C(CN)=C1 SBB035986 [0,2,0,0,0,0|1,0,1]=4 204 B14R1.15069 CCOC1=C(OC)C=C(C)C(C=O)=C1 SBB302014 [0,2,0,0,0,0|0,0,0]=2 205 B14R1.15069 CCOC1=C(OC)C=C(Cl)C(C#N)=C1 SBB035900 [0,2,0,0,0,0|1,0,1]=4 206 B14R1.15069 CCOC1=C(OC)C=C(Cl)C(C=O)=C1 SBB023493 [0,2,0,0,0,0|0,0,0]=2 207 B14R1.3235 CCOC1=C(O)C(Br)=CC(\C=N\O)=C1 SBB019885 [0,2,0,0,0,0|0,0,1]=3 208 B14R1.3235 CCOC1=C(O)C(Cl)=CC(\C=N\O)=C1 SBB028722 [0,2,0,0,0,0|0,0,1]=3 209 B14R1.14947 CCOC1=C(O)C=C(Br)C(\C=N\O)=C1 SBB028730 [0,2,0,0,0,0|0,0,1]=3 210 B14R1.3228 CCOC1=C(O)C(Br)=C(Br)C(C#N)=C1 SBB019890 [0,2,0,0,0,0|1,0,1]=4 211 B14R1.3228 CCOC1=C(O)C(Br)=C(Br)C(C=O)=C1 SBB019889 [0,2,0,0,0,0|0,0,0]=2 212 B14R1.3228 CCOC1=C(O)C(Br)=C(Cl)C(C=O)=C1 SBB035836 [0,2,0,0,0,0|0,0,0]=2 213 B12R2.24 BrC1=CC=C2OCCOC2=C1 SBB003399 [1,0,0,1,0,0|1,0,0]=3 214 B12R2.24 CC1=CC=C2OCCNC2=C1 SBB076666 [1,0,0,1,0,0|1,0,1]=4 215 B12R2.24 IC1=CC2=C(C=C1)OCCO2 SBB054608 [1,0,0,1,0,0|1,0,0]=3 216 B12R2.24 NC1=CC=C2OCCOC2=C1 SBB038600 [1,0,0,1,0,0|1,0,0]=3 217 B12R2.221 CC1=C2CCCC2=C(O)C=C1 SBB056316 [1,0,0,1,0,0|1,0,1]=4 218 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 SBB005559 [1,0,0,1,0,0|2,0,0]=4 219 B12R2.315 O=CC1=CC=CC2=C1OCC2 SBB059729 [1,0,0,1,0,0|2,0,0]=4 220 B12R2.315 O=CC1=CC=CC2=C1OCO2 SBB004074 [1,0,0,1,0,0|1,0,0]=3 221 B14R2.134 O=CC1=CC2=C(C=C1)OCC(=O)N2 SBB072523 [0,1,0,1,0,0|1,0,1]=4 222 B14R2.3303 CC1(C)CC2=CC(C=O)=CC=C2O1 SBB301803 [0,1,0,1,0,0|1,0,0]=3 223 B14R2.3303 O=CC1=CC=C2OC(F)(F)OC2=C1 SBB052342 [0,1,0,1,0,0|1,0,0]=3 224 B14R2.601 CC1=CC2=CC(C(=O)O)=CC=C2O1 SBB014069 [0,1,0,1,0,0|1,0,1]=4 225 B14R2.601 CC1CC2=C(C=CC(C(=O)Cl)=C2)O1 SBB010957 [0,1,0,1,0,0|1,0,0]=3 226 B14R2.601 CC1CC2=CC(C(=O)O)=CC=C2O1 SBB010622 [0,1,0,1,0,0|1,0,0]=3 227 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCO2 SBB018996 [0,1,0,1,0,0|0,0,0]=2 228 B14R2.781 CC(=O)C1=CC=C2CCCCC2=C1 SBB042684 [0,1,0,1,0,0|2,0,0]=4 229 B14R2.781 CC(N)C1=CC=C2OCCOC2=C1 SBB010638 [0,1,0,1,0,0|1,0,1]=4 230 B14R2.781 O=C(O)C1=CC2=C(C=C1)CCCC2 SBB010597 [0,1,0,1,0,0|2,0,0]=4 231 B14R2.781 O=C(O)C1=CC2=C(C=C1)OCCC2 SBB014729 [0,1,0,1,0,0|1,0,0]=3 232 B14R2.781 O=C(O)C1=CC=C2OCCOC2=C1 SBB007047 [0,1,0,1,0,0|0,0,0]=2 233 B14R2.781 O=[N+]([O-])C1=CC=C2OCCOC2=C1 SBB063896 [0,1,0,1,0,0|1,0,0]=3 234 B14R2.781 OB(O)C1=CC=C2OCCOC2=C1 SBB018828 [0,1,0,1,0,0|1,0,1]=4 235 B14R2.1801 CN1CCCC2=C1C=CC(C=O)=C2 SBB010581 [0,1,0,1,0,0|2,0,0]=4 236 B14R2.1801 CN1CCOC2=CC(C=O)=CC=C21 SBB052330 [0,1,0,1,0,0|1,0,0]=3 237 B14R2.1815 CC1CC2=C(C=CC(C=O)=C2)N1C SBB010580 [0,1,0,1,0,0|2,0,0]=4 238 B14R2.2400 NCC1=CC2=C(C=C1)OCCCO2 SBB089552 [0,1,0,1,0,0|1,0,1]=4 239 B14R2.2497 CCN1C=CC2=CC=C(C=O)C=C21 SBB019162 [0,1,0,1,0,0|2,0,0]=4 240 B14R2.112 NCCC1=CC=C2OCCOC2=C1 SBB027961 [0,1,0,1,0,0|1,0,1]=4 241 B14R2.1128 CC1=CC2=C(C=C1CN)OCCO2 SBB014728 [0,1,0,1,0,0|1,0,1]=4 242 B14R2.1128 NC1=CC2=C(C=C1CO)OCCO2 SBB303089 [0,1,0,1,0,0|0,0,2]=4 243 B10R1.96 CCCC1=CC=C(C=O)O1 SBB302490 [1,0,0,0,1,0|2,0,0]=4 244 B10R1.96 CCCC1=CC=C(C=O)S1 SBB010356 [1,0,0,0,1,0|2,0,0]=4 245 B10R1.35 CCC1=C(Br)C=C(C=O)S1 SBB019869 [1,0,0,0,1,0|2,0,0]=4