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|1,0,0]=2 2 B11R1.189 COC1=CC=CC(CC#N)=N1 AC010358 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.189 COC1=NC(CCN)=CC=C1 AC010351 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.192 NCCC1=CC(O)=C(O)C=C1 AC510887 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.192 NCCC1=CC=C(O)C(O)=C1 HY-B0451A [1,0,0,0,0,0|1,0,1]=3 6 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 AC182189 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.280 COC1=C(F)C=CC(CN)=N1 AC512021 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.280 COC1=CC(=CC=C1Br)C#N AC182457 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.280 COC1=CC(C=O)=CC=C1Br AC511904 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.280 COC1=CC(OC)=C(I)C=C1 AC130260 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 AC180229 [0,1,0,0,0,0|1,0,2]=4 12 B13R1.386 COC1=C(C=C(C=C1)CC=O)OC LN01317454 [0,1,0,0,0,0|1,0,0]=2 13 B13R1.387 CCCC1=CC(C(C)=O)=C(O)C=C1 AC160649 [0,1,0,0,0,0|1,0,2]=4 14 B13R1.575 CC1=C(C=C(CCCO)C=C1)OC LN01745962 [0,1,0,0,0,0|1,0,2]=4 15 B13R2.449 ClCCC1=CC=C2OCCC2=C1 AC020139 [0,0,0,1,0,0|2,0,1]=4 16 B13R2.599 COC1=C(C=C2C=CNC2=C1)F LN00337832 [0,0,0,1,0,0|2,0,0]=3 17 B13R2.599 COC1=C(C=C2C=NNC2=C1)Cl LN01361032 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.599 COC1=C(C=C2C=NNC2=C1)I LN01361038 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.599 COC1=CC2=C(C=C1Cl)NC=C2 LN01797101 [0,0,0,1,0,0|2,0,1]=4 20 B13R2.599 COC1=CC2=C(C=NN2)C=C1Br AC182588 [0,0,0,1,0,0|3,0,0]=4 21 B13R2.599 COC1=CC2=C(C=NN2)C=C1N AC512011 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.10 C1=CC(=CC(=C1)Br)CC=O LN00181220 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.10 C1=CC(=CC(=C1)Cl)CC=O LN00179867 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.10 C1=CC(=CC(=C1)F)CC=O LN00241763 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.10 CC1=CC(=CC=C1)CC=O LN00181749 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.10 CC1=CC(=CC=C1)CCO LN00183333 [2,0,0,0,0,0|1,0,1]=4 27 B10R1.10 NCCC1=CC=CC(O)=C1 AC180433 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.172 COC1=CC(C=O)=NC=C1 AC511190 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.172 COC1=CC(CBr)=CC=C1 AC510987 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.172 COC1=CC(CN)=CC=C1 AC500068 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.172 COC1=CC(CO)=CC=C1 AC190190 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.172 COC1=CC(OC)=CC=C1 AC500213 [2,0,0,0,0,0|1,0,1]=4 33 B10R1.172 COC1=CC=CC(=C1)C#C AC190077 [2,0,0,0,0,0|0,0,2]=4 34 B10R1.172 COC1=CC=CC(=C1)C#N AC021048 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.172 COC1=CC=CC(=N1)C=O LN00008867 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.172 COC1=CC=CC(C=O)=C1 AC500047 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.172 COC1=CN=CC(C=O)=C1 AC182140 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.172 COC1=NC(C=O)=CC=C1 AC181904 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.172 COC1=NC=CC(C=O)=C1 AC190135 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.172 COC1=NC=CC(CO)=C1 AC512003 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.1 C1=C(C=CC(=C1)Br)CC=O LN00171423 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.1 C1=C(C=CC(=C1)Cl)CC=O LN01308797 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.1 CC1=CC=C(C=C1)CC=O LN00179940 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.1 NCCC1=CC=C(O)C=C1 AC510807 [2,0,0,0,0,0|1,0,1]=4 45 B10R1.176 CC1=C(C=C(C=C1)C=O)O LN01279400 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.176 CC1=C(F)C=CC(C=O)=C1 AC510647 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.176 CC1=C(O)C=CC(C=O)=C1 AC511525 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.176 CC1=CC(C=O)=CC=C1Br AC512095 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.176 OC1=C(Cl)C=C(C=O)C=C1 AC500271 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.176 OC1=C(O)C=C(C=O)C=C1 AC500052 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.176 OC1=CC(C=O)=CC=C1Cl AC511121 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.30 CCC1=NC(C)=CC=C1O AC181021 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 AC511561 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.30 COC1=C(Cl)C=CC(N)=C1 AC511495 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.30 COC1=CC(=CC=C1Br)O LN00004696 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.30 COC1=CC(Br)=CC=C1N AC510860 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.30 COC1=CC(F)=CC=C1N AC040109 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.30 COC1=CC(N)=CC=C1Br AC500116 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.30 COC1=CC(N)=CC=C1C AC510672 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.30 COC1=CC(N)=CC=C1F AC511952 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.30 COC1=NC(C)=CC=C1N AC181576 [2,0,0,0,0,0|2,0,0]=4 62 B12R1.41 COC1=CC(CCO)=CC(N)=C1 AC020371 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.382 CCNCC1=CC(=CC=C1)OC LN00234456 [1,1,0,0,0,0|0,0,2]=4 64 B12R1.435 COC1=CC(=CC=C1)[C@@H](CO)N LN02224104 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.438 COC1=CC(CC(O)=O)=CC=C1 AC500238 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.19 CC(=O)NC1=CC(O)=C(O)C=C1 HY-G0004 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.19 OC(=O)CC1=CC(Cl)=C(O)C=C1 AC130144 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.19 OC(=O)CC1=CC(F)=C(O)C=C1 AC130145 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.19 OC(=O)CC1=CC(O)=C(O)C=C1 AC130031 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 HY-13715A [1,1,0,0,0,0|1,0,1]=4 71 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 HY-13715B [1,1,0,0,0,0|1,0,1]=4 72 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 HY-B1081 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 HY-B1081A [1,1,0,0,0,0|1,0,1]=4 74 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O LN00183464 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.56 COC1=C(N)C=CC(=C1)C(O)=O AC020100 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.56 COC1=CC(=CC=C1Br)C(O)=O AC182275 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.56 COC1=CC(=CC=C1O)C(C)=O HY-N0088 [1,1,0,0,0,0|0,0,1]=3 78 B12R1.78 COC1=CC=C(CO)C(OC)=C1 AC510943 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.300 COC1=C(O)C(Cl)=CC(C=O)=C1 AC021102 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O AC130089 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.453 CCC1=CC(C(C)=O)=C(O)C=C1 AC160358 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.654 COC1=C(Cl)C(C=O)=CC=C1O AC020594 [1,1,0,0,0,0|1,0,0]=3 83 B14R1.3651 COC1=CC=C(CC(N)=N)C=C1OC AC021230 [0,2,0,0,0,0|1,0,0]=3 84 B14R1.42 COC1=CC(/C=C/C([O-])=O)=CC=C1O HY-N0060A [0,2,0,0,0,0|0,0,1]=3 85 B12R2.44 COC1=CC2=C(C=CN2)C=C1 AC130085 [1,0,0,1,0,0|1,0,0]=3 86 B12R2.44 COC1=CC2=C(C=CS2)C=C1 AC020687 [1,0,0,1,0,0|1,0,0]=3 87 B12R2.44 COC1=CC2=C(OC=N2)C=C1 AC010313 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.44 COC1=CC=C2C=NNC2=C1 AC182407 [1,0,0,1,0,0|2,0,0]=4 89 B12R2.44 COC1=CC=C2N=CSC2=C1 AC010336 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.44 COC1=CC=C2SC=CC2=C1 AC010354 [1,0,0,1,0,0|1,0,1]=4 91 B12R2.315 COC1=C2C=CNC2=CC=C1 AC500089 [1,0,0,1,0,0|1,0,0]=3 92 B12R2.315 COC1=C2C=CNC2=NC=C1 AC020737 [1,0,0,1,0,0|2,0,0]=4 93 B12R2.315 COC1=CC=CC2=C1C=NN2 AC182406 [1,0,0,1,0,0|2,0,0]=4 94 B12R2.315 COC1=CC=CC2=C1NC=C2 AC160388 [1,0,0,1,0,0|1,0,1]=4 95 B12R2.315 COC1=CC=CC2=C1NC=C2 LN00006117 [1,0,0,1,0,0|1,0,1]=4 96 B12R2.100 CC1=C(C=C2C=CNC2=C1)Cl LN01807039 [1,0,0,1,0,0|2,0,0]=4 97 B12R2.100 CC1=CC2=C(C=NN2)C=C1O AC040148 [1,0,0,1,0,0|2,0,0]=4 98 B14R2.1008 OC(=O)CC1=CC=C2OCOC2=C1 AC510715 [0,1,0,1,0,0|1,0,0]=3 99 B14R2.991 COCOC1=CC=C2OCOC2=C1 AC021593 [0,1,0,1,0,0|1,0,1]=4 100 B14R2.1128 COC1=C(N)C=C2C=CC=NC2=C1 AC051046 [0,1,0,1,0,0|1,0,1]=4