0 B10R1.172 COC1=CC(C=O)=CC=C1 HY-W007346 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.172 COC1=CC=CC(OC)=C1 HY-34487 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.2 C#CC1=CC(N)=CC=C1 HY-W007423 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.2 CC1=CC(C=O)=CC=C1 HY-78086 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.2 CC1=CC=CC(C#N)=N1 HY-W002490 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.2 COC1=CC(Cl)=NC=C1 HY-W007914 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.2 COC1=CC(N)=NC=C1 HY-20459 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.2 COC1=CC(O)=CC=C1 HY-Y1840 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.2 COC1=CC=CC(C)=C1 HY-115127 [1,0,0,0,0,0|0,0,0]=1 9 B9R1.2 COC1=CN=CC(Br)=C1 HY-W007427 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.2 COC1=NC(Cl)=CC=C1 HY-W001995 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.2 COC1=NC=CC(N)=N1 HY-69014 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.2 NCC1=CC(O)=CC=C1 HY-W069508 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.2 O=CC1=CC(Cl)=CC=C1 HY-Y1863 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.2 O=CC1=CC=CC(O)=C1 HY-76006 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.9 COC1=CC(Br)=CC(OC)=C1 HY-W007352 [0,1,0,0,0,0|0,0,0]=1 16 B11R1.9 COC1=CC(C)=CC(OC)=C1 HY-W010235 [0,1,0,0,0,0|0,0,0]=1 17 B11R1.9 COC1=CC(Cl)=CC(OC)=C1 HY-W016859 [0,1,0,0,0,0|0,0,0]=1 18 B11R1.9 COC1=CC(O)=CC(OC)=C1 HY-W001117 [0,1,0,0,0,0|0,0,0]=1 19 B11R1.9 COC1=NC(Cl)=NC(OC)=N1 HY-W016718 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.189 COC1=CC=CC(CCN)=C1 HY-41268 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.266 CNC1=CC=CC([N+](=O)[O-])=C1 HY-Z0132 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.266 COC1=CC(C(=O)O)=CC=C1 HY-Y0760 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.266 COC1=CC(C(N)=O)=CC=C1 HY-121497 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.266 COC1=CC=CC(B(O)O)=C1 HY-W000854 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.266 COC1=CC=CC(C(N)=S)=C1 HY-W156596 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.267 COC1=CC=CC(OC)=C1O HY-W003972 [0,1,0,0,0,0|0,0,0]=1 27 B11R1.280 C=CC1=CC=C(O)C(OC)=C1 HY-W019940 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.280 C=CC1=CC=C(O)C(OC)=C1 HY-W019940R [0,1,0,0,0,0|1,0,1]=3 29 B11R1.280 COC1=C(O)C=CC(CN)=C1 HY-W015211 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.280 COC1=CC(C=O)=CC=C1O HY-N0098 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.280 COC1=CC(C=O)=CC=C1O HY-N0098R [0,1,0,0,0,0|2,0,0]=3 32 B11R1.280 COC1=CC(CO)=CC=C1O HY-N2067 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.280 COC1=CC=C(Br)C(OC)=C1 HY-Y0159 [0,1,0,0,0,0|0,0,0]=1 34 B11R1.280 COC1=CC=C(C)C(OC)=C1 HY-W324424 [0,1,0,0,0,0|0,0,0]=1 35 B8R0.6 C\C=C\C=C\C(=O)OC HY-W068700 [1,0,1,0,0,0|1,0,0]=3 36 B8R1.2 COC1=CC=NC=C1 HY-W007634 [2,0,0,0,0,0|1,0,0]=3 37 B8R1.2 COC1=CN=CC=C1 HY-W008119 [2,0,0,0,0,0|1,0,0]=3 38 B8R1.2 COC1=CN=CC=N1 HY-W010562 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.2 NCC1=CC=CC=C1 HY-76253 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.2 O=NC1=CC=CC=C1 HY-121641 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.2 O=[As]C1=CC=CC=C1 HY-131901 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.2 OCC1=CC=CC=C1 HY-B0892R [2,0,0,0,0,0|2,0,0]=4 44 B8R1.4 BrC1=CC=CC(I)=C1 HY-32149 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.4 CC1=CC(Br)=CC=N1 HY-W007447 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.4 CC1=CC(Cl)=NC=C1 HY-W010423 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.4 CC1=CC(N)=NC=C1 HY-W003969 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.4 CC1=CN=CC(C)=N1 HY-W040790 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.4 CC1=NC(Cl)=CC=C1 HY-W001993 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.4 O=C1C=C(O)C=CN1 HY-Y0426 [2,0,0,0,0,0|1,0,1]=4 51 B8R1.4 O=C1C=CC=C(O)N1 HY-W036553 [2,0,0,0,0,0|1,0,1]=4 52 B8R1.4 OC1=CC(Cl)=NC=C1 HY-I0304 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.4 OC1=CC(O)=NC=N1 HY-W015902 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.4 OC1=CC=CC(I)=C1 HY-W007364 [2,0,0,0,0,0|1,0,0]=3 55 B8R1.4 OC1=CN=CC(Br)=C1 HY-66053 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.4 OC1=NC=CC(Br)=C1 HY-65036 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.2 CC1=C(O)C(C=O)=CC=C1 HY-W007934 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.2 CCC1=CC=CC(C)=C1O HY-W089538 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.8 CC1=CC(C)=CC(C#N)=C1 HY-Z0422 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.8 CC1=CC(C)=CC(C=O)=C1 HY-W002343 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.8 O=CC1=CC(O)=CC(O)=C1 HY-W007416 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.10 NCCC1=CC(O)=CC=C1 HY-128975 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.30 CCC1=NC(C)=CC=C1O HY-W002620A [1,1,0,0,0,0|2,0,0]=4 64 B10R1.30 COC1=CC(Br)=CC=C1N HY-50822 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.30 COC1=CC(Br)=CC=C1O HY-W007865 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.30 COC1=CC(C)=CC=C1O HY-W040971 [1,1,0,0,0,0|0,0,0]=2 67 B10R1.30 COC1=CC(Cl)=CC=C1O HY-W039169 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.30 O=CC1=CC(O)=CC=C1Br HY-W007430 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.113 CC(=O)C1=CC(N)=CC=C1 HY-W012637 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.113 CC(=O)C1=CC=CC(O)=C1 HY-Y0603 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.113 CC1=CC(B(O)O)=CC=C1 HY-W007381 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.113 CC1=CC(C(=O)O)=CC=C1 HY-78571 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.113 O=C(O)C1=CC(O)=CC=C1 HY-W004049 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.113 OB(O)C1=CC=CC(O)=C1 HY-W002734 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.176 NCC1=CC(O)=C(O)C=C1 HY-N3023 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.176 O=CC1=CC=C(O)C(O)=C1 HY-N0295 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.58 COC1=CC(C=O)=CC(OC)=C1 HY-W007626 [0,2,0,0,0,0|0,0,0]=2 78 B12R1.58 COC1=CC(CO)=CC(OC)=C1 HY-W017093 [0,2,0,0,0,0|0,0,0]=2 79 B12R1.58 COC1=CC(OC)=CC(OC)=C1 HY-Y0678 [0,2,0,0,0,0|0,0,0]=2 80 B12R1.235 COC1=CC(=O)C=C(OC)C1=O HY-N1677 [0,2,0,0,0,0|0,0,0]=2 81 B12R1.235 COC1=CC(C)=CC(OC)=C1O HY-W100715 [0,2,0,0,0,0|0,0,0]=2 82 B12R1.270 CCOC1=CC(C=O)=CC=C1O HY-B0940 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 HY-N0337 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 HY-N0337R [0,2,0,0,0,0|1,0,1]=4 85 B12R1.286 COC1=C(O)C=CC(CCN)=C1 HY-103638 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.286 COC1=CC(CCN)=CC=C1O HY-103638A [0,2,0,0,0,0|1,0,0]=3 87 B12R1.286 COC1=CC(CCN)=CC=C1O HY-103638AR [0,2,0,0,0,0|1,0,0]=3 88 B12R1.286 COC1=CC(CCO)=CC=C1O HY-N7513 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.286 C\C=C/C1=CC=C(O)C(OC)=C1 HY-N1952A [0,2,0,0,0,0|1,0,0]=3 90 B12R1.286 C\C=C\C1=CC=C(O)C(OC)=C1 HY-N1952 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.438 COC1=CC(CC(=O)O)=CC=C1 HY-W015343 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.56 COC1=CC(C(=O)O)=CC=C1N HY-75577 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.56 COC1=CC(C(=O)O)=CC=C1O HY-N0708 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.56 COC1=CC(C(=O)O)=CC=C1O HY-N0708R [0,2,0,0,0,0|2,0,0]=4 95 B12R1.56 COC1=CC(C(C)=O)=CC=C1O HY-N0088 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.56 COC1=CC(C(C)C)=CC=C1C HY-W049970 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.440 COC1=C(F)C(B(O)O)=CC=C1 HY-32923 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.440 COC1=C(N)C(C(=O)O)=CC=C1 HY-59377 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.453 COC1=CC(C(=O)O)=C(O)C=C1 HY-W007856 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.453 COC1=CC=C(O)C(C(C)=O)=C1 HY-N1731 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.654 COC1=CC=C(Br)C(C=O)=C1O HY-107371 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.1879 COC1=CC=CC(C=O)=C1OC HY-41407 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.1879 COC1=CC=CC(CO)=C1OC HY-Z0549 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.1879 COC1=CC=CC(OC)=C1C=O HY-W001249 [0,2,0,0,0,0|0,0,0]=2 105 B12R1.1879 COC1=CC=CC(OC)=C1OC HY-W017092 [0,2,0,0,0,0|0,0,0]=2 106 B12R1.78 COC1=CC(OC)=C(CO)C=C1 HY-W007584 [0,2,0,0,0,0|0,0,0]=2 107 B12R1.78 COC1=CC=C(C=O)C=C1OC HY-N1096 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.78 COC1=CC=C(CO)C=C1OC HY-107858 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.449 COC1=C(O)C=C(Br)C(C=O)=C1 HY-W005482 [0,2,0,0,0,0|2,0,0]=4 110 B12R2.44 COC1=CC=C2NC=CC2=C1 HY-W007328 [0,1,0,1,0,0|1,0,1]=4 111 B12R2.44 N#CC1=CC=C2OCOC2=C1 HY-Y1347 [0,1,0,1,0,0|2,0,0]=4 112 B12R2.44 OCC1=CC2=C(C=C1)OCO2 HY-W028108 [0,1,0,1,0,0|2,0,0]=4 113 B12R2.315 COC1=C2C=CNC2=CC=C1 HY-59301 [0,1,0,1,0,0|1,0,1]=4 114 B12R2.315 COC1=CC=CC2=C1NC=C2 HY-W001536 [0,1,0,1,0,0|1,0,1]=4 115 B10R1.3 C#CC1=CC=C(OC)C=C1 HY-W004104 [0,0,0,0,1,1|1,0,1]=4 116 B10R1.3 COC1=CC=C(C=O)C=C1 HY-Y0740 [0,0,0,0,1,1|2,0,0]=4 117 B10R1.3 COC1=CC=C(C=O)C=N1 HY-32788 [0,0,0,0,1,1|2,0,0]=4 118 B10R1.3 COC1=CC=C(CO)C=C1 HY-W015777 [0,0,0,0,1,1|2,0,0]=4 119 B10R1.3 COC1=CC=C(OC)C=C1 HY-W015780 [0,0,0,0,1,1|0,0,0]=2 120 B10R1.3 COC1=CC=C(OC)C=C1 HY-W015780R [0,0,0,0,1,1|0,0,0]=2 121 B10R1.3 COC1=CN=C(OC)C=C1 HY-W051248 [0,0,0,0,1,1|0,0,0]=2