0 B10R1.59 CC1=NC(C)=C(S1)C(O)=O AC180522 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.59 CN1C=C(Br)C=C1C(O)=O AC182193 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.59 CN1N=C(C)C=C1C(O)=O AC180804 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.22 CC1=CC(C)=C(N1)C=O AC511604 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.22 CC1=NC(C)=C(N1)C=O AC020332 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.35 CC(=O)C1=CC=C(C)S1 AC180308 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.35 CC1=CC(=NO1)C(O)=O AC500307 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.35 CC1=CC=C(O1)C(O)=O AC180680 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.35 CC1=CC=C(S1)C(O)=O AC511071 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.35 CC1=NC=C(C(=O)O)O1 LN00214770 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.35 CC1=NC=C(S1)C(O)=O AC181314 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.35 CC1=NNC(=C1)C(O)=O AC190259 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.35 CN1C=C(C=N1)C(C)=O AC511894 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.35 CN1C=CC(=C1)C(O)=O AC182631 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 OC(=O)C1=CSC(Br)=C1 AC051032 [1,0,0,0,0,0|2,1,0]=4 15 B9R1.41 CC(=O)C1=CNC=C1C AC330027 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.41 CC1=C(C(=O)O)NC=C1 LN01237182 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.41 CC1=C(OC=N1)C(O)=O AC511624 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.41 CC1=NNC=C1C(O)=O AC181056 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.41 CC1=NOC=C1C(O)=O AC181215 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.41 CN1C=CC=C1C(=O)O LN00149766 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.41 CN1C=CN=C1C(C)=O AC511919 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.41 CN1N=CC=C1C(O)=O AC181029 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.41 NC(=O)C1=C(N)SC=C1 AC511070 [1,0,0,0,0,0|2,1,0]=4 24 B9R1.41 OC(=O)C1=C(Br)SC=C1 AC100025 [1,0,0,0,0,0|2,1,0]=4 25 B11R1.225 COC(=O)C1=C(N)C=C(C)S1 AC050646 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.74 CC(=O)C1=CC(=CC(=C1)F)F LN00117061 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.74 CC(=O)C1=CC(Br)=CC(Br)=C1 AC180640 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 AC310106 [0,0,0,0,0,1|1,0,0]=2 29 B11R1.74 CC1=CC(=CC(Cl)=N1)C(O)=O AC180520 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.74 CC1=CC(=NC(Cl)=C1)C(O)=O AC512065 [0,0,0,0,0,1|3,0,0]=4 31 B11R1.74 CC1=CC(Cl)=CC(=C1)C(O)=O AC182586 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.74 CC1=CC(F)=CC(=C1)C(O)=O AC181548 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)Cl LN01796470 [0,0,0,0,0,1|3,0,0]=4 34 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 AC220119 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.166 CC(=O)C1=CC=C(Br)C=C1O AC181677 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Br AC511164 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Cl AC500263 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.166 CC(=O)C1=CC=C(N)C=C1O AC511889 [0,0,0,0,0,1|3,0,0]=4 39 B11R1.166 CC(=O)C1=CC=C(O)C=C1F AC021126 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.166 CC(=O)C1=NC=C(F)C=C1F AC050224 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.166 CC1=C(N=CC(Br)=C1)C(O)=O AC182133 [0,0,0,0,0,1|3,0,0]=4 42 B11R1.166 CC1=CC(Br)=CC=C1C(O)=O AC250047 [0,0,0,0,0,1|3,0,0]=4 43 B11R1.166 CC1=CC(Cl)=CN=C1C(O)=O AC182134 [0,0,0,0,0,1|3,0,0]=4 44 B11R1.166 CC1=CC(F)=C(C=C1)C(O)=O AC181531 [0,0,0,0,0,1|3,0,0]=4 45 B11R1.166 CC1=CC(N)=CC=C1C(O)=O AC181976 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.166 CC1=CC(O)=C(C=N1)C(O)=O AC181761 [0,0,0,0,0,1|3,0,0]=4 47 B11R1.166 CC1=CC=C(C(O)=O)C(Br)=C1 AC511793 [0,0,0,0,0,1|3,0,0]=4 48 B11R1.166 CC1=CC=C(C(O)=O)C(Cl)=N1 AC020050 [0,0,0,0,0,1|3,0,0]=4 49 B11R1.166 CC1=CC=C(C(O)=O)C(N)=C1 AC511862 [0,0,0,0,0,1|3,0,0]=4 50 B11R1.166 CC1=NC(=C(C=C1)C(=O)O)C LN00181449 [0,0,0,0,0,1|2,0,0]=3 51 B11R1.166 CC1=NC(=C(C=C1)C(=O)O)Cl LN00131032 [0,0,0,0,0,1|3,0,0]=4 52 B11R1.167 CC(=O)C1=C(Cl)C=CC(F)=C1 AC180460 [0,0,0,0,0,1|3,0,0]=4 53 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 AC130204 [0,0,0,0,0,1|3,0,0]=4 54 B11R1.167 CC(=O)C1=CC(Br)=CC=C1F AC182638 [0,0,0,0,0,1|3,0,0]=4 55 B11R1.167 CC(=O)C1=CC(Br)=CC=C1N AC511145 [0,0,0,0,0,1|3,0,0]=4 56 B11R1.167 CC(=O)C1=CC(Br)=CC=C1O AC510656 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1Cl AC020882 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.167 CC(=O)C1=CC(F)=CC=C1O AC510745 [0,0,0,0,0,1|3,0,0]=4 59 B11R1.167 CC1=C(C=C(I)C=C1)C(O)=O AC181258 [0,0,0,0,0,1|3,0,0]=4 60 B11R1.167 CC1=C(C=C(N)C=C1)C(O)=O AC181945 [0,0,0,0,0,1|3,0,0]=4 61 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O LN00117409 [0,0,0,0,0,1|3,0,0]=4 62 B11R1.167 CC1=CC=C(Br)C=C1C(O)=O AC511799 [0,0,0,0,0,1|3,0,0]=4 63 B11R1.167 CC1=CC=C(Cl)C(=C1)C(O)=O AC511767 [0,0,0,0,0,1|3,0,0]=4 64 B11R1.167 CC1=CC=C(N)C(=C1)C(O)=O AC180220 [0,0,0,0,0,1|3,0,0]=4 65 B8R0.1 CCOC(=O)/C=C/C=O AC511142 [1,0,1,0,0,0|1,0,1]=4 66 B8R1.1 CC1=CC=C(S1)C=O AC511283 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.1 CC1=NC(=CO1)C=O LN00169165 [2,0,0,0,0,0|1,0,0]=3 68 B8R1.1 CC1=NC(C=O)=CS1 AC181975 [2,0,0,0,0,0|1,1,0]=4 69 B8R1.1 CN1C=C(C=O)C=N1 AC511623 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.11 CC1=NNC=C1C=O AC511463 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.11 CN1N=CC=C1C=O AC510711 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.7 CC(=O)C1=CC=CS1 AC510514 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.7 CC(=O)C1=CSC=C1 AC500077 [2,0,0,0,0,0|0,1,0]=3 74 B8R1.7 NC(=O)C1=COC=N1 AC182643 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.7 OC(=O)C1=CNC=C1 AC181119 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.7 OC(=O)C1=COC=N1 AC510698 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.7 OC(=O)C1=CSC=C1 AC310080 [2,0,0,0,0,0|1,1,0]=4 78 B10R1.14 CC1=NC(=CO1)C(=O)OC LN00189944 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.14 COC(=O)C1=COC(C)=N1 AC181604 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.149 CC1=C(C(=O)OC)SC=C1 LN00225784 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.149 COC(=O)C1=C(C)C=CO1 AC130320 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.149 COC(=O)C1=C(C)C=CS1 AC180945 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.149 COC(=O)C1=C(C)N=CS1 AC180735 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.149 COC(=O)C1=C(N)SC=C1 AC500044 [1,1,0,0,0,0|1,1,0]=4 85 B10R1.192 CC1=NOC(C)=C1C(O)=O AC180507 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.358 COC(=O)C1=CC(C)=NC(Cl)=C1 AC181763 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.358 COC(=O)C1=CC(O)=NC(C)=N1 AC200031 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.511 CC1=CC(C)=C(N)C(=C1)C(O)=O AC130032 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.57 COC1=CC(Br)=CC=C1C(C)=O AC512144 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.232 CC(=O)C1=CC(C)=C(C)C=C1O AC160404 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.232 CC1=CC(C)=C(Br)C=C1C(O)=O AC010473 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.232 CC1=NC(C)=C(Cl)N=C1C(N)=O AC021529 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 HY-N0159 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.1000 CC(=O)C1C(=O)OC(C)=CC1=O HY-B1211 [0,1,0,0,0,1|1,0,1]=4 95 B12R1.1000 CC1=CC(C)=C(C(O)=O)C(C)=C1 AC511710 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1C AC182536 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.1703 COC(=O)C1=CC=C(N)C=C1C AC182296 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C AC051189 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C AC200060 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.354 CC1=C(C=C(C=C1)I)C(=O)OC LN01358463 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.354 COC(=O)C1=C(C)C=CC(Br)=C1 AC510571 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.354 COC(=O)C1=CC(C)=CC=C1N AC181067 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.354 COC(=O)C1=CC(N)=CC=C1C AC182355 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.453 CCC1=CC(C(C)=O)=C(O)C=C1 AC160358 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 AC130229 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.313 CCOC(=O)C1=C(C)C=C(C)N1 AC180254 [0,2,0,0,0,0|2,0,0]=4 107 B10R2.32 O=C1CCC2=C1SC=C2 AC181664 [1,0,0,1,0,0|2,0,0]=4 108 B12R2.612 BrC1=CC2=C(C=C1)C(=O)CC2 AC500011 [0,0,0,1,0,1|2,0,0]=4 109 B12R2.612 C1CC(=O)C2=CC=C(C=C12)F LN00116021 [0,0,0,1,0,1|2,0,0]=4 110 B12R2.612 C1CC(=O)C2=CC=C(C=C12)N LN00213518 [0,0,0,1,0,1|2,0,0]=4 111 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 AC220151 [0,0,0,1,0,1|1,0,0]=3 112 B12R2.612 ClC1=CC2=C(C=C1)C(=O)CC2 AC220152 [0,0,0,1,0,1|2,0,0]=4 113 B12R2.132 BrC1=CC2=C(CCC2=O)C=C1 AC181424 [0,0,0,1,0,1|2,0,0]=4 114 B12R2.132 CC1=CC2=C(C=C1)CCC2=O LN00220913 [0,0,0,1,0,1|1,0,0]=3 115 B12R2.132 ClC1=CC2=C(CCC2=O)C=C1 AC181146 [0,0,0,1,0,1|2,0,0]=4 116 B12R2.132 OC1=CC2=C(CCC2=O)C=C1 AC510898 [0,0,0,1,0,1|2,0,0]=4 117 B10R1.8 CC1=CC(=CC(=C1)C=O)C LN00010194 [1,0,0,0,0,1|1,0,0]=3 118 B10R1.8 CC1=CC(C)=CC(C=O)=C1 AC180654 [1,0,0,0,0,1|1,0,0]=3 119 B10R1.25 CC1=CC(=C(C=C1)C=O)F LN00181719 [1,0,0,0,0,1|2,0,0]=4 120 B10R1.25 CC1=CC(Br)=CC=C1C=O AC510700 [1,0,0,0,0,1|2,0,0]=4 121 B10R1.25 CC1=CC(Cl)=CC=C1C=O AC181463 [1,0,0,0,0,1|2,0,0]=4 122 B10R1.25 CC1=CC(F)=C(C=O)C=C1 AC511511 [1,0,0,0,0,1|2,0,0]=4 123 B10R1.25 CC1=CC(F)=CC=C1C=O AC181464 [1,0,0,0,0,1|2,0,0]=4 124 B10R1.25 CC1=CC=C(C=O)C(O)=C1 AC511779 [1,0,0,0,0,1|2,0,0]=4 125 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 AC511499 [1,0,0,0,0,1|2,0,0]=4 126 B10R1.13 CC(=O)C1=CC=C(C)C=C1 AC511479 [1,0,0,0,0,1|1,0,0]=3 127 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 AC181609 [1,0,0,0,0,1|2,0,0]=4 128 B10R1.13 CC(=O)C1=CC=C(F)N=C1 AC182130 [1,0,0,0,0,1|2,0,0]=4 129 B10R1.13 CC(=O)C1=CC=C(N)C=C1 AC510510 [1,0,0,0,0,1|2,0,0]=4 130 B10R1.13 CC(=O)C1=CC=C(O)C=C1 AC190210 [1,0,0,0,0,1|2,0,0]=4 131 B10R1.13 CC(=O)C1=CC=C(O)N=C1 AC182574 [1,0,0,0,0,1|2,0,0]=4 132 B10R1.13 CC(=O)C1=CN=C(C=C1)Br LN00170457 [1,0,0,0,0,1|2,0,0]=4 133 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 AC181883 [1,0,0,0,0,1|2,0,0]=4 134 B10R1.13 CC1=CC=C(C=C1)C(O)=O AC190159 [1,0,0,0,0,1|2,0,0]=4 135 B10R1.13 CC1=CN=C(C=C1)C(O)=O AC181304 [1,0,0,0,0,1|2,0,0]=4 136 B10R1.13 CC1=NC=C(C=N1)C(=O)O LN00156992 [1,0,0,0,0,1|2,0,0]=4