0 B12R1.286 COC1=C(O)C=CC(CCO)=C1 OR55020 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.286 COC1=CC(CC#N)=CC=C1O OR52500 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.189 C=CCC1=CC(OC)=CC=C1 OR19549 [1,0,0,0,0,0|0,0,0]=1 3 B11R1.189 COC1=CC(CC#N)=CC=C1 OR21798 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.189 COC1=CC(N=C=S)=CC=C1 OR30147 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.189 COC1=CC=CC(CCO)=C1 OR30549 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.189 COC1=CC=CC(CNN)=C1 OR0202 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.189 COC1=CC=CC(N=C=O)=C1 OR28902 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.192 CC1=C(O)C=CC(SC#N)=C1 OR15444 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.192 OCCC1=CC(O)=C(O)C=C1 OR2203 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.280 C=CC1=CC(OC)=C(O)C=C1 OR322411 [1,0,0,0,0,0|0,0,0]=1 11 B11R1.280 CCC1=CC=C(O)C(C=O)=C1 OR15187 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 OR46048 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.280 COC1=C(Br)C=CC(CO)=C1 OR400176 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.280 COC1=C(C)C=CC(C#N)=C1 OR11330 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.280 COC1=C(C)C=CC(C=O)=C1 OR11329 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.280 COC1=C(C)C=CC(CO)=C1 OR303998 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 OR310902 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.280 COC1=C(I)C=CC(C=O)=C1 OR400628 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.280 COC1=C(I)C=CC(CBr)=C1 OR400604 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.280 COC1=C(I)C=CC(CO)=C1 OR400639 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.280 COC1=C(O)C=CC(C=O)=C1 OR52392 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.280 COC1=C(O)C=CC(CN)=C1 OR13027 [1,0,0,0,0,0|1,0,0]=2 23 B11R1.280 COC1=C(O)C=CC(CO)=C1 OR1182 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.280 COC1=CC(CN)=CC=C1C OR42256 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.280 COC1=CC(CN)=CN=C1Cl OR62003 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.280 COC1=CC(OC)=C(Br)C=C1 OR4515 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.280 COC1=CC(OC)=C(I)C=C1 OR8223 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.280 COC1=CC(OC)=C(N)C=C1 OR11072 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.280 O=CC1=CC(C=O)=C(O)C=C1 OR0496 [1,0,0,0,0,0|3,0,0]=4 30 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 OR5261 [0,1,0,0,0,0|1,0,2]=4 31 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 OR13029 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.386 COC1=CC=C(CC#N)C=C1OC OR52311 [0,1,0,0,0,0|1,0,1]=3 33 B13R1.386 COC1=CC=C(CCO)C=C1OC OR42222 [0,1,0,0,0,0|1,0,1]=3 34 B13R1.575 COC1=C(O)C=CC(C=CCO)=C1 OR24816 [0,1,0,0,0,0|0,0,2]=3 35 B13R2.121 COC1=C2C=NNC2=CC=C1Br OR30831 [0,0,0,1,0,0|3,0,0]=4 36 B13R2.449 BrCCC1=CC2=C(C=C1)OCC2 OR2451 [0,0,0,1,0,0|2,0,1]=4 37 B13R2.449 ClCCC1=CC2=C(C=C1)OCO2 OR9297 [0,0,0,1,0,0|1,0,1]=3 38 B13R2.449 O=C=NC1=CC=C2OCOC2=C1 OR61306 [0,0,0,1,0,0|2,0,1]=4 39 B13R2.449 OCCC1=CC2=C(C=C1)OCC2 OR2452 [0,0,0,1,0,0|2,0,1]=4 40 B13R2.449 OCCC1=CC2=C(C=C1)OCO2 OR9252 [0,0,0,1,0,0|1,0,1]=3 41 B13R2.449 S=C=NC1=CC2=C(C=C1)OCO2 OR0625 [0,0,0,1,0,0|2,0,1]=4 42 B13R2.599 COC1=CC2=C(C=NN2)C=C1Br OR30839 [0,0,0,1,0,0|3,0,0]=4 43 B10R1.10 C=CCC1=CC(Br)=CC=C1 OR01860 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.10 C=CCC1=CC(C)=CC=C1 OR01912 [2,0,0,0,0,0|0,0,0]=2 45 B10R1.10 C=CCC1=CC(Cl)=CC=C1 OR01884 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.10 C=CCC1=CC=CC(O)=C1 OR19551 [2,0,0,0,0,0|0,0,0]=2 47 B10R1.10 O=CCC1=CC(O)=CC=C1 OR311266 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.172 C#CC1=CC(OC)=CC=C1 OR5956 [2,0,0,0,0,0|0,0,2]=4 49 B10R1.172 C=CC1=CC=CC(C#N)=C1 OR18866 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.172 CNC1=CC=CC(CN)=C1 OR7679 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.172 COC1=CC(C=O)=CN=C1 OR46113 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.172 COC1=CC(C=O)=NC=C1 OR46108 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.172 COC1=CC(CN)=NC=C1 OR306389 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.172 COC1=CC(CS)=CC=C1 OR51960 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.172 COC1=CC=CC(C#N)=C1 OR4831 [2,0,0,0,0,0|1,0,1]=4 56 B10R1.172 COC1=CC=CC(C=O)=C1 OR0816 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.172 COC1=CC=CC(CBr)=C1 OR6438 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.172 COC1=CC=CC(CCl)=C1 OR4813 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.172 COC1=CC=CC(CN)=C1 OR8643 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.172 COC1=CC=CC(CO)=C1 OR10022 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.172 COC1=CC=CC(OC)=C1 OR1557 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.172 COC1=NC(C=O)=CC=C1 OR51762 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.172 COC1=NC=CC(C=O)=C1 OR46110 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.1 C=CCC1=CC=C(Br)C=C1 OR01868 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.1 C=CCC1=CC=C(C)C=C1 OR01922 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.1 C=CCC1=CC=C(Cl)C=C1 OR01894 [2,0,0,0,0,0|1,0,0]=3 67 B10R1.1 N#CCC1=CC=C(O)C=C1 OR28641 [2,0,0,0,0,0|1,0,1]=4 68 B10R1.1 O=CCC1=CC=C(O)C=C1 OR5985 [2,0,0,0,0,0|1,0,0]=3 69 B10R1.1 OC1=CC=C(CCBr)C=C1 OR45134 [2,0,0,0,0,0|1,0,1]=4 70 B10R1.1 OCCC1=CC=C(O)C=C1 OR2934 [2,0,0,0,0,0|1,0,1]=4 71 B10R1.176 C=CC1=CC(Cl)=C(Cl)C=C1 OR61295 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 OR400670 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.176 CC1=C(Br)C=CC(CO)=C1 OR400665 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.176 CC1=C(C)C=C(C=O)C=C1 OR30113 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.176 CC1=C(C)C=C(CCl)C=C1 OR5034 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.176 CC1=C(C)C=C(CN)C=C1 OR60034 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.176 CC1=C(C)C=C(CO)C=C1 OR2548 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.176 CC1=CC(C=O)=CC=C1O OR322238 [2,0,0,0,0,0|1,0,0]=3 79 B10R1.176 COC1=CC=C(O)C(O)=C1 OR305004 [2,0,0,0,0,0|1,0,1]=4 80 B10R1.176 N#CC1=CC(O)=C(O)C=C1 OR9851 [2,0,0,0,0,0|1,0,1]=4 81 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 OR1184 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 OR4357 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.176 O=CC1=CC(O)=C(I)C=C1 OR22116 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.176 O=CC1=CC(O)=C(O)C=C1 OR5940 [2,0,0,0,0,0|1,0,0]=3 85 B10R1.176 OC1=C(I)C=CC(CBr)=C1 OR55567 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.176 OCC1=CC(Br)=C(O)C=C1 OR2644 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.176 OCC1=CC(O)=C(I)C=C1 OR8637 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.30 CC1=CC(C=O)=C(O)C=C1 OR1183 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.30 CCC1=NC(C)=CC=C1O OR2008 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 OR13198 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.30 COC1=C(Br)C=CC(I)=C1 OR9601 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.30 COC1=C(Br)C=CC(N)=C1 OR15001 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.30 COC1=C(Br)C=CC(O)=C1 OR30937 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.30 COC1=C(C)C=CC(Cl)=C1 OR15003 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 OR0177 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 OR15004 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.30 COC1=C(Cl)C=CC(O)=C1 OR400038 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.30 COC1=C(I)C=CC(Br)=C1 OR46223 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.30 COC1=C(I)C=CC(Cl)=C1 OR70062 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.30 COC1=C(I)C=CC(O)=C1 OR18428 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.30 COC1=C(N)C=CC(Br)=C1 OR30932 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.30 COC1=C(N)C=CC(C)=C1 OR11969 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.30 COC1=C(N)C=CC(Cl)=C1 OR11504 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.30 COC1=C(N)C=CC(I)=C1 OR43624 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.30 COC1=C(O)C=CC(Cl)=C1 OR4506 [2,0,0,0,0,0|1,0,0]=3 106 B10R1.30 COC1=C(O)C=CC(I)=C1 OR46089 [2,0,0,0,0,0|1,0,0]=3 107 B10R1.30 COC1=C(O)C=CC(O)=C1 OR8900 [2,0,0,0,0,0|1,0,0]=3 108 B10R1.30 COC1=CC(Br)=CC=C1O OR22659 [2,0,0,0,0,0|1,0,0]=3 109 B10R1.30 COC1=CC(N)=CC=C1Cl OR11087 [2,0,0,0,0,0|2,0,0]=4 110 B12R1.280 C=CCC1=CC=CC(C=O)=C1O OR7500T [1,1,0,0,0,0|2,0,0]=4 111 B12R1.382 COC1=CC(OCCBr)=CC=C1 OR12039 [1,1,0,0,0,0|1,0,1]=4 112 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 OR6816 [1,1,0,0,0,0|1,0,0]=3 113 B12R1.438 COC1=CC=CC(NC(N)=O)=C1 OR14387 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.438 CSC1=CC=CC(CC(=O)O)=C1 OR3276 [1,1,0,0,0,0|1,1,0]=4 115 B12R1.19 CC1=C(N)C=CC(CC(=O)O)=C1 OR18023 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.19 NC1=C(O)C=CC(CC(=O)O)=C1 OR16144 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 OR6818 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 OR1575 [1,1,0,0,0,0|0,0,2]=4 119 B12R1.56 COC1=C(Br)C=CC(C(=O)Cl)=C1 OR54459 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 OR9543 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.56 COC1=C(Br)C=CC(C(N)=O)=C1 OR11558 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 OR1086 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.56 COC1=C(I)C=CC(C(=O)O)=C1 OR400602 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 OR6621 [1,1,0,0,0,0|2,0,0]=4 125 B12R1.56 COC1=C(N)C=CC(C(C)=O)=C1 OR15131 [1,1,0,0,0,0|1,0,1]=4 126 B12R1.56 COC1=C(N)C=CC(C(N)=O)=C1 OR310052 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 OR46236 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 OR1181 [1,1,0,0,0,0|1,0,0]=3 129 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 OR26691 [1,1,0,0,0,0|0,0,1]=3 130 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 OR40450 [1,1,0,0,0,0|2,0,0]=4 131 B12R1.56 COC1=CC(C(C)=O)=CC=C1Br OR53079 [1,1,0,0,0,0|1,0,1]=4 132 B12R1.78 C#CC1=CC=C(OC)C(OC)=C1 OR40104 [1,1,0,0,0,0|0,0,2]=4 133 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 OR2992 [1,1,0,0,0,0|1,0,1]=4 134 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 OR5256 [1,1,0,0,0,0|1,0,0]=3 135 B12R1.78 COC1=C(OC)C=C(CN)C=C1 OR5029 [1,1,0,0,0,0|1,0,0]=3 136 B12R1.78 COC1=CC(OC)=C(OC)C=C1 OR4622 [1,1,0,0,0,0|1,0,1]=4 137 B12R1.78 COC1=CC=C(CO)C(OC)=C1 OR28314 [1,1,0,0,0,0|1,0,1]=4 138 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 OR1162 [1,1,0,0,0,0|1,0,0]=3 139 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 OR53049 [1,1,0,0,0,0|1,0,1]=4 140 B12R1.300 COC1=C(O)C(I)=CC(C=O)=C1 OR4972 [1,1,0,0,0,0|1,0,0]=3 141 B12R1.300 COC1=CC(C=O)=CC(O)=C1O OR2136 [1,1,0,0,0,0|1,0,0]=3 142 B12R1.449 COC1=CC(C=O)=C(Br)C=C1Br OR55242 [1,1,0,0,0,0|2,0,0]=4 143 B14R1.343 COC1=CC(CC(=O)O)=CC(Br)=C1O OR5143 [0,2,0,0,0,0|1,0,0]=3 144 B14R1.881 COC1=CC(CC(=O)O)=C(Br)C=C1O OR4895 [0,2,0,0,0,0|1,0,0]=3 145 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 OR5989 [0,2,0,0,0,0|1,0,0]=3 146 B14R1.14946 COC1=CC(Br)=C(CC#N)C=C1OC OR4519 [0,2,0,0,0,0|1,0,1]=4 147 B14R1.42 COC1=C(O)C=CC(C=CC(=O)O)=C1 OR11310 [0,2,0,0,0,0|0,0,1]=3 148 B14R1.42 COC1=C(O)C=CC(CCC(C)O)=C1 OR40441 [0,2,0,0,0,0|0,0,2]=4 149 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 OR1171 [0,2,0,0,0,0|0,0,1]=3 150 B14R1.42 COC1=C(O)C=CC(\C=C\[N+](=O)[O-])=C1 OR26919 [0,2,0,0,0,0|1,0,1]=4 151 B14R1.3236 C=CCC1=CC(C=O)=C(O)C(OC)=C1 OR55035 [0,2,0,0,0,0|0,0,0]=2 152 B14R1.3236 C=CCC1=CC(OC)=C(O)C(OC)=C1 OR322224 [0,2,0,0,0,0|0,0,0]=2 153 B12R2.44 COC1=CC2=C(C=C1)NC=C2 OR10184 [1,0,0,1,0,0|1,0,1]=4 154 B12R2.44 COC1=CC2=C(C=CN2)C=C1 OR0581 [1,0,0,1,0,0|1,0,0]=3 155 B12R2.44 COC1=CC=C2NC=NC2=C1 OR11201 [1,0,0,1,0,0|2,0,0]=4 156 B12R2.44 COC1=CC=C2OC=CC2=C1 OR46210 [1,0,0,1,0,0|1,0,1]=4 157 B12R2.44 COC1=CC=C2SC=NC2=C1 OR55451 [1,0,0,1,0,0|2,0,0]=4 158 B12R2.315 COC1=C2C=CNC2=NC=C1 OR30653 [1,0,0,1,0,0|2,0,0]=4 159 B12R2.315 COC1=C2C=COC2=CC=N1 OR45094 [1,0,0,1,0,0|2,0,0]=4 160 B12R2.315 COC1=CC=CC2=C1C=CN2 OR4545 [1,0,0,1,0,0|1,0,0]=3 161 B12R2.315 COC1=CC=CC2=C1NC=C2 OR1441 [1,0,0,1,0,0|1,0,1]=4 162 B12R2.100 CC1=CC2=C(C=C1O)N=CN2 OR15980 [1,0,0,1,0,0|2,0,0]=4 163 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 OR40006 [1,0,0,1,0,0|1,0,0]=3 164 B14R2.1008 O=C(Cl)CC1=CC2=C(C=C1)OCO2 OR9231 [0,1,0,1,0,0|1,0,0]=3 165 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 OR2687 [0,1,0,1,0,0|2,0,0]=4 166 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 OR6817 [0,1,0,1,0,0|1,0,0]=3 167 B14R2.82 COC1=C(OC)C=C2NC=NC2=C1 OR11164 [0,1,0,1,0,0|2,0,0]=4 168 B14R2.82 COC1=CC2=C(C=C1OC)NC=C2 OR5372 [0,1,0,1,0,0|1,0,0]=3 169 B14R2.991 O=C=NCC1=CC2=C(C=C1)OCO2 OR9204 [0,1,0,1,0,0|1,0,1]=4 170 B14R2.991 S=C=NCC1=CC2=C(C=C1)OCO2 OR1497 [0,1,0,1,0,0|1,0,1]=4