0 B11R1.189 CNCC1=CC(OC)=CC=C1 AC100030 [1,0,0,0,0,0|1,0,1]=3 1 B11R1.189 COC1=CC=CC(=C1)CC=O LN00179939 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.192 NCCC1=CC(O)=C(O)C=C1 AC510887 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.192 NCCC1=CC=C(O)C(O)=C1 HY-B0451A [1,0,0,0,0,0|1,0,2]=4 4 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 AC182189 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.280 COC1=CC(=CC=C1Br)C#N AC182457 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.280 COC1=CC(C=O)=C(O)C=C1 AC130270 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.280 COC1=CC(C=O)=CC=C1Br AC511904 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.280 COC1=CC(OC)=C(I)C=C1 AC130260 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.280 COC1=CC(OC)=NC=C1Br AC050567 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.280 COC1=CC=C(C(=C1)C=O)O LN00009847 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.49 COC(=O)C1=CC(OC)=C(N)C=C1 AC180338 [0,1,0,0,0,0|2,0,0]=3 12 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 AC180229 [0,1,0,0,0,0|1,0,0]=2 13 B13R1.49 COC(=O)C1=CC=C(Br)C(OC)=C1 AC182276 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.49 COC(=O)C1=NC=C(Br)C(OC)=C1 AC511238 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.386 COC1=C(C=C(C=C1)CC=O)OC LN01317454 [0,1,0,0,0,0|1,0,1]=3 16 B13R1.387 CCCC1=CC(C(C)=O)=C(O)C=C1 AC160649 [0,1,0,0,0,0|1,0,2]=4 17 B13R1.575 CC1=C(C=C(CCCO)C=C1)OC LN01745962 [0,1,0,0,0,0|1,0,2]=4 18 B13R2.599 COC1=C(C=C2C=CNC2=C1)F LN00337832 [0,0,0,1,0,0|2,0,1]=4 19 B13R2.599 COC1=CC2=C(C=C1Cl)NC=C2 LN01797101 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.599 COC1=CC2=C(NN=C2)C=C1Br AC040170 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.10 CC1=CC(=CC=C1)CC=O LN00181749 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.172 CNC1=CC(NC)=CC=C1 AC050985 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.172 COC1=CC(C=O)=NC=C1 AC511190 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.172 COC1=CC(CBr)=CC=C1 AC510987 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.172 COC1=CC(CN)=CC=C1 AC500068 [2,0,0,0,0,0|1,0,1]=4 26 B10R1.172 COC1=CC(CO)=CC=C1 AC190190 [2,0,0,0,0,0|1,0,1]=4 27 B10R1.172 COC1=CC(OC)=CC=C1 AC500213 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.172 COC1=CC=CC(=C1)C#C AC190077 [2,0,0,0,0,0|0,0,2]=4 29 B10R1.172 COC1=CC=CC(=C1)C#N AC021048 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.172 COC1=CC=CC(=N1)C=O LN00008867 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.172 COC1=CC=CC(C=O)=C1 AC500047 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.172 COC1=CN=CC(C=O)=C1 AC182140 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.172 COC1=CN=CC(OC)=C1 AC160324 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.172 COC1=NC(C=O)=CC=C1 AC181904 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.172 COC1=NC=CC(C=O)=C1 AC190135 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.176 CC1=C(C=C(C=C1)C=O)O LN01279400 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.176 CC1=C(F)C=CC(C=O)=C1 AC510647 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.176 CC1=C(O)C=CC(C=O)=C1 AC511525 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.176 CC1=CC(C=O)=CC=C1Br AC512095 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.176 COC1=CC(Br)=C(O)C=C1 AC010330 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.176 COC1=CC(C)=C(Br)C=C1 AC130228 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.176 COC1=CC(C)=C(N)C=C1 AC500162 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.176 COC1=CC(N)=C(O)C=C1 AC130278 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.176 COC1=CC=C(Br)C(O)=C1 AC181675 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.176 OC1=C(Cl)C=C(C=O)C=C1 AC500271 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.176 OC1=C(O)C=C(C=O)C=C1 AC500052 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.176 OC1=CC(C=O)=CC=C1Cl AC511121 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.30 CCC1=NC(C)=CC=C1O AC181021 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 AC511561 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.30 COC1=C(Cl)C=CC(N)=C1 AC511495 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.30 COC1=CC(=CC=C1Br)O LN00004696 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.30 COC1=CC(Br)=CC=C1N AC510860 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.30 COC1=CC(F)=CC=C1N AC040109 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.30 COC1=CC(N)=CC=C1Br AC500116 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.30 COC1=CC(N)=CC=C1C AC510672 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.30 COC1=CC(N)=CC=C1F AC511952 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.30 COC1=NC(C)=CC=C1N AC181576 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.382 CCNCC1=CC(=CC=C1)OC LN00234456 [1,1,0,0,0,0|0,0,2]=4 59 B12R1.435 COC(=O)C1=CC(OC)=CC=C1 AC160463 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.438 COC1=CC(CC(O)=O)=CC=C1 AC500238 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.19 CC(=O)NC1=CC(O)=C(O)C=C1 HY-G0004 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.19 OC(=O)CC1=CC(O)=C(O)C=C1 AC130031 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 AC500210 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 AC051061 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.367 COC(=O)C1=CC=C(Br)C(O)=C1 AC511455 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.367 COC(=O)C1=CC=C(Cl)C(O)=C1 AC182641 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.367 COC(=O)C1=CC=C(F)C(C)=C1 AC181942 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.367 COC(=O)C1=CC=C(N)C(C)=C1 AC180696 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.367 OC1=CC=C(C=C1O)C(=O)CCl AC511820 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.367 ONC(=O)C1=CC=C(O)C(O)=C1 HY-19387 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O LN00183464 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.56 COC1=C(N)C=CC(=C1)C(O)=O AC020100 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.56 COC1=CC(=CC=C1Br)C(O)=O AC182275 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.56 COC1=CC(=CC=C1O)C(C)=O HY-N0088 [1,1,0,0,0,0|0,0,0]=2 75 B12R1.78 COC1=CC(OC)=C(CN)C=C1 AC180289 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.78 COC1=CC=C(CN)C(OC)=C1 AC510555 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.78 COC1=CC=C(CO)C(OC)=C1 AC510943 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.300 COC1=C(O)C(Cl)=CC(C=O)=C1 AC021102 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O AC130089 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.453 CCC1=CC(C(C)=O)=C(O)C=C1 AC160358 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 AC130229 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.654 COC1=C(Cl)C(C=O)=CC=C1O AC020594 [1,1,0,0,0,0|1,0,0]=3 83 B14R1.1864 COC1=CC=C(C=C1OC)C(=O)CBr AC160314 [0,2,0,0,0,0|1,0,1]=4 84 B14R1.3651 COC1=CC=C(CC(N)=N)C=C1OC AC021230 [0,2,0,0,0,0|1,0,1]=4 85 B14R1.42 COC1=CC(/C=C/C([O-])=O)=CC=C1O HY-N0060A [0,2,0,0,0,0|0,0,1]=3 86 B12R1.450 COC1=C(O)C=C(C=O)C(Br)=C1 AC180871 [0,0,1,1,0,0|2,0,0]=4 87 B12R2.44 COC1=CC2=C(C=CN2)C=C1 AC130085 [1,0,0,1,0,0|1,0,1]=4 88 B12R2.44 COC1=CC2=C(C=CS2)C=C1 AC020687 [1,0,0,1,0,0|1,0,1]=4 89 B12R2.44 COC1=CC2=C(NN=C2)C=C1 AC040194 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.44 COC1=CC2=C(OC=N2)C=C1 AC010313 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.44 COC1=CC=C2N=CSC2=C1 AC010336 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.44 COC1=CC=C2SC=CC2=C1 AC010354 [1,0,0,1,0,0|1,0,0]=3 93 B12R2.44 COC1=CN2C=CN=C2C=C1 LN01367948 [1,0,0,1,0,0|2,0,0]=4 94 B12R2.315 COC1=C2C=CNC2=CC=C1 AC500089 [1,0,0,1,0,0|1,0,1]=4 95 B12R2.315 COC1=CC=CC2=C1NC=C2 AC160388 [1,0,0,1,0,0|1,0,0]=3 96 B12R2.315 COC1=CC=CC2=C1NC=C2 LN00006117 [1,0,0,1,0,0|1,0,0]=3 97 B12R2.315 COC1=CC=CN2C=CN=C12 LN01325218 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.100 CC1=CC2=C(C=C1Br)NC=C2 LN00220051 [1,0,0,1,0,0|2,0,0]=4 99 B12R2.100 CC1=CC2=C(NC=C2)C=C1Br AC182362 [1,0,0,1,0,0|2,0,0]=4 100 B12R2.100 CC1=CC2=C(NC=C2)C=C1Cl AC010140 [1,0,0,1,0,0|2,0,0]=4 101 B14R2.2167 COC1=C(F)C=C2CCC(=O)C2=C1 AC050163 [0,1,0,1,0,0|1,0,1]=4 102 B14R2.1008 OC(=O)CC1=CC=C2OCOC2=C1 AC510715 [0,1,0,1,0,0|1,0,1]=4 103 B14R2.991 COCOC1=CC=C2OCOC2=C1 AC021593 [0,1,0,1,0,0|1,0,1]=4 104 B14R2.1128 COC1=C(N)C=C2C=CC=NC2=C1 AC051046 [0,1,0,1,0,0|1,0,1]=4