0 B12R1.270 CCOC1=CC(C=O)=CC=C1O HY-B0940 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.280 C1=CC(=C(C=C1C=O)C#N)F LN00010054 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 AC182189 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.280 COC1=CC(=CC=C1Br)C#N AC182457 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.280 COC1=CC(C=O)=CC=C1Br AC511904 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.280 COC1=CC(OC)=C(I)C=C1 AC130260 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.280 FC1=C(C=C(C=O)C=C1)C#N AC020008 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.354 CCOC1=C(C=CC(=C1)B(O)O)F LN00138881 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 AC021520 [0,1,0,0,0,0|0,0,0]=1 9 B13R1.2431 COC(=O)C1=CC(C=O)=CC=C1O AC170070 [0,1,0,0,0,0|2,0,0]=3 10 B13R2.57 O=CC1=CC=C2OCCOC2=C1 AC180243 [0,0,0,1,0,0|0,0,0]=1 11 B10R1.4 CCOC1=CC=CC=C1N AC190317 [2,0,0,0,0,0|1,0,0]=3 12 B10R1.4 NCCC1=CC=CC=C1O AC050448 [2,0,0,0,0,0|2,0,0]=4 13 B10R1.10 CCCC1=CC(N)=CC=C1 AC160362 [2,0,0,0,0,0|2,0,0]=4 14 B10R1.10 CCOC1=CC=CC(N)=C1 AC020532 [2,0,0,0,0,0|1,0,0]=3 15 B10R1.10 CCOC1=NC=CC(N)=C1 AC180955 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.30 CCC1=CC(=CC=C1F)Br LN01279639 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.30 CCC1=CC(Br)=CC=C1N AC021532 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.30 CCC1=NC(C)=CC=C1O AC181021 [2,0,0,0,0,0|1,0,1]=4 19 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 AC511561 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.30 COC1=C(Cl)C=CC(N)=C1 AC511495 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.30 COC1=CC(=CC=C1Br)O LN00004696 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.30 COC1=CC(Br)=CC=C1N AC510860 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.30 COC1=CC(F)=CC=C1N AC040109 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.30 COC1=CC(N)=CC=C1Br AC500116 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.30 COC1=CC(N)=CC=C1C AC510672 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.30 COC1=CC(N)=CC=C1F AC511952 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.172 C1=CC(=CC(=C1)C=O)C#N LN00008590 [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|1,0,0]=3 29 B10R1.172 COC1=CC(CBr)=CC=C1 AC510987 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.172 COC1=CC(CN)=CC=C1 AC500068 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.172 COC1=CC(CO)=CC=C1 AC190190 [2,0,0,0,0,0|0,0,2]=4 32 B10R1.172 COC1=CC(OC)=CC=C1 AC500213 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.172 COC1=CC=CC(=C1)C#C AC190077 [2,0,0,0,0,0|1,0,1]=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|1,0,0]=3 36 B10R1.172 COC1=CC=CC(C=O)=C1 AC500047 [2,0,0,0,0,0|0,0,0]=2 37 B10R1.172 COC1=CN=CC(C=O)=C1 AC182140 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.172 COC1=NC(C=O)=CC=C1 AC181904 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.172 COC1=NC=CC(C=O)=C1 AC190135 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.172 O=CC1=CC(=CC=C1)C#N AC511621 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.176 CC1=C(C=C(C=C1)C=O)O LN01279400 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.176 CC1=C(Cl)N=CC(C=O)=C1 AC050908 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.176 CC1=C(F)C=CC(C=O)=C1 AC510647 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.176 CC1=C(O)C=CC(C=O)=C1 AC511525 [2,0,0,0,0,0|0,0,0]=2 45 B10R1.176 CC1=CC(C=O)=CC=C1Br AC512095 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.176 ClC1=C(Br)C=C(C=O)C=C1 AC511882 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.176 ClC1=CC=C(C=O)C=C1Cl AC510899 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.176 FC1=C(Br)C=CC(C=O)=C1 AC500192 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.176 FC1=C(Cl)C=CC(C=O)=C1 AC510834 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.176 OC1=C(Cl)C=C(C=O)C=C1 AC500271 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.176 OC1=C(O)C=C(C=O)C=C1 AC500052 [2,0,0,0,0,0|0,0,0]=2 52 B10R1.176 OC1=CC(C=O)=CC=C1Cl AC511121 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.279 CCOC1=CC(=CC=C1)B(O)O AC180998 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.279 CCOC1=CC=CC(=C1)[N+]([O-])=O AC020531 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.435 COC(=O)C1=CC=CC(C=O)=C1 AC180850 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.56 COC1=C(Br)C=CC(=C1)[N+]([O-])=O AC511795 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O LN00183464 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.56 COC1=C(N)C=CC(=C1)C(O)=O AC020100 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.56 COC1=CC(=CC=C1Br)C(O)=O AC182275 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.56 COC1=CC(=CC=C1F)[N+]([O-])=O AC182181 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.56 COC1=CC(=CC=C1O)C(C)=O HY-N0088 [1,1,0,0,0,0|0,0,0]=2 62 B12R1.78 COC1=CC=C(CO)C(OC)=C1 AC510943 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.300 COC1=C(O)C(Cl)=CC(C=O)=C1 AC021102 [1,1,0,0,0,0|0,0,0]=2 64 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O AC130089 [1,1,0,0,0,0|0,0,0]=2 65 B12R1.654 COC1=C(Cl)C(C=O)=CC=C1O AC020594 [1,1,0,0,0,0|0,0,0]=2 66 B14R1.706 COC(=O)C1=C(O)C=CC(=C1)C(C)=O AC021169 [0,2,0,0,0,0|2,0,0]=4 67 B14R1.5389 CCCC1=C(O)C(=CC=C1O)C(C)=O AC021107 [0,2,0,0,0,0|1,0,0]=3 68 B12R2.24 BrC1=CC2=C(OCCO2)N=C1 AC100097 [1,0,0,1,0,0|2,0,0]=4 69 B12R2.24 BrC1=CC=C2NCCOC2=C1 AC182789 [1,0,0,1,0,0|2,0,0]=4 70 B12R2.24 BrC1=CC=C2OCCOC2=C1 AC180437 [1,0,0,1,0,0|1,0,0]=3 71 B12R2.24 C1COC2=C(C=C(C=N2)Br)O1 LN00157752 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.24 NC1=CC2=C(OCCO2)C=C1 AC130076 [1,0,0,1,0,0|1,0,0]=3 73 B12R2.24 OC1=CC2=C(OCCO2)C=C1 AC130203 [1,0,0,1,0,0|0,0,1]=3 74 B12R2.221 OC1=CC=C(Cl)C2=C1CCC2 HY-B0999 [1,0,0,1,0,0|2,0,0]=4 75 B12R2.221 OC1=CC=C(F)C2=C1CCO2 AC010150 [1,0,0,1,0,0|1,0,1]=4 76 B12R2.606 CC1CC2=CC(N)=CC=C2O1 AC130077 [1,0,0,1,0,0|2,0,0]=4 77 B12R2.44 C1=CC2=C(CCO2)C=C1C=O LN00224117 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.44 O=CC1=CC2=C(OCC2)C=C1 AC020853 [1,0,0,1,0,0|2,0,0]=4 79 B14R2.601 CC1=NC2=CC(=CC=C2O1)C(O)=O AC050708 [0,1,0,1,0,0|1,0,1]=4 80 B14R2.601 CC1=NC2=CC=C(C=C2O1)C(O)=O AC182186 [0,1,0,1,0,0|1,0,1]=4 81 B14R2.781 CC(=O)C1=CC2=C(NCCC2)C=C1 AC050238 [0,1,0,1,0,0|2,0,0]=4 82 B14R2.781 OB(O)C1=CC=C2OCCOC2=C1 AC090082 [0,1,0,1,0,0|1,0,1]=4 83 B14R2.781 OC(=O)C1=CC=C2OCCOC2=C1 AC181024 [0,1,0,1,0,0|0,0,0]=2