0 B9R1.1 CC1=CC=C(C=O)C=C1 HY-W012860 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.1 CCC1=CC=C(O)C=C1 HY-W012836 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.1 CNC1=CC=C(C)C=C1 HY-W017767 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.1 COC1=CC=C(C)C=C1 HY-W012835 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.1 COC1=CC=C(Cl)N=N1 HY-W001168 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.1 COC1=CC=C(O)C=C1 HY-30270 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.1 COC1=NC=C(Br)C=C1 HY-32756 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.1 COC1=NC=C(N)C=C1 HY-W001994 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.1 N#CC1=CN=C(Br)C=C1 HY-W004337 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.1 N#CC1=CN=C(Cl)C=C1 HY-59197 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.1 N#CC1=NC=C(Br)C=C1 HY-W007647 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.1 N#CC1=NC=C(F)C=C1 HY-34656 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.1 NC1=CC=C(CO)C=C1 HY-W007465 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.1 NCC1=CC=C(I)C=C1 HY-W013964 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.1 NCC1=CC=C(O)C=C1 HY-W004078 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.1 O=CC1=CC=C(Br)N=C1 HY-32786 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.1 OCC1=CC=C(Br)N=C1 HY-W016116 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.1 OCC1=CC=C(O)C=C1 HY-Y0892 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.1 OCC1=NC=C(Br)C=C1 HY-32837 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.1 OCC1=NC=C(O)C=C1 HY-W007140 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.2 BrCC1=CC=CN=C1 HY-W004131 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.2 C#CC1=CC=CN=C1 HY-34604 [1,0,0,0,0,0|1,0,2]=4 22 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [1,0,0,0,0,0|0,0,0]=1 23 B8R1.2 COC1=CN=CC=C1 HY-W008119 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.2 COC1=CN=CC=N1 HY-W010562 [1,0,0,0,0,0|1,0,0]=2 25 B8R1.2 ClCC1=NC=CC=N1 HY-52102 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.2 N#CC1=NC=CN=C1 HY-Y0131 [1,0,0,0,0,0|1,0,1]=3 27 B8R1.2 NCC1=CC=CC=C1 HY-76253 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 NCC1=CC=CN=C1 HY-Y0047 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.2 NCC1=NC=CC=N1 HY-60347A [1,0,0,0,0,0|3,0,0]=4 30 B8R1.2 O=NC1=NC=CC=C1 HY-136590 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.2 OCC1=CC=CC=C1 HY-B0892R [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 OCC1=CC=CN=C1 HY-B0893 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.2 OCC1=NC=CC=C1 HY-Y0004 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.3 BrC1=CN=C(I)C=C1 HY-W002668 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.3 BrC1=NC=C(I)C=C1 HY-W003027 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.3 CC1=CC=C(N)C=N1 HY-66048 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.3 CC1=CN=C(Br)C=C1 HY-W007353 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.3 CC1=CN=C(C)C=N1 HY-34439 [1,0,0,0,0,0|0,0,0]=1 40 B8R1.3 CC1=CN=C(N)C=N1 HY-65255 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.3 CC1=NN=C(Cl)C=C1 HY-W001297 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.3 ClC1=CN=C(Cl)C=C1 HY-W015626 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.3 ClC1=NC=C(Br)C=C1 HY-W002767 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.3 ClC1=NC=C(I)C=C1 HY-W002858 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.3 FC1=NC=C(Br)C=C1 HY-32746 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.3 FC1=NC=C(I)C=C1 HY-W007531 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.3 NC1=CC=C(F)N=C1 HY-65254 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.3 NC1=CN=C(Br)C=C1 HY-W016849 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.3 NC1=CN=C(Cl)C=C1 HY-W007481 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.3 NC1=NC=C(Br)N=C1 HY-59261 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.1 C=CCC1=CC=C(C)C=C1 HY-W074514 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.1 CCOC1=CC=C(O)C=C1 HY-W015786 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.1 CNCC1=CC=C(F)C=C1 HY-W114781 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.1 NCCC1=CC=C(Br)C=C1 HY-42346 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.1 NCCC1=CC=C(O)C=C1 HY-W007606 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.1 NCCC1=CC=C(O)C=C1 HY-W007606R [0,1,0,0,0,0|3,0,0]=4 58 B10R1.1 NCCC1=CC=C(O)C=C1 HY-W016823 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.1 OCCC1=CC=C(O)C=C1 HY-N0474 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.1 OCCC1=CC=C(O)C=C1 HY-N0474R [0,1,0,0,0,0|3,0,0]=4 61 B10R1.3 C#CC1=CC=C(CC)C=C1 HY-W012717 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.3 CCC1=CC=C(C=O)C=C1 HY-W012657 [0,1,0,0,0,0|2,0,1]=4 63 B10R1.3 COC1=CC=C(C=O)C=N1 HY-32788 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.3 COC1=CC=C(CO)C=C1 HY-W015777 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.3 COC1=CC=C(OC)C=C1 HY-W015780 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.3 COC1=CC=C(OC)C=C1 HY-W015780R [0,1,0,0,0,0|3,0,0]=4 67 B10R1.3 COC1=CN=C(OC)C=C1 HY-W051248 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 HY-60206 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HY-W012653 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 HY-W074486 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.13 CC1=CC=C(C(C)C)CC1 HY-W020182 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.13 CC1=CCC(C(C)C)=CC1 HY-W020183 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.13 CC1=CCC(C(C)C)C=C1 HY-121615 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.13 CC1=CN=C(C(=O)O)C=N1 HY-32739 [0,1,0,0,0,0|1,0,1]=3 75 B10R1.13 CC1=NC=C(C(=O)O)C=C1 HY-W008333 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.13 CC1=NC=C(C(N)=O)C=C1 HY-W015815 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.13 Cc1ccc(C(C)C)cc1 HY-79986 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.13 O=C(O)C1=NC=C(O)N=C1 HY-76210 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.25 CCC1=C(O)C=C(O)C=C1 HY-W015782 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.1 CC1=CC(CO)=NO1 HY-W012937 [0,0,0,0,1,0|2,0,0]=3 81 B8R1.1 CC1=CC=C(CO)O1 HY-W087919 [0,0,0,0,1,0|3,0,0]=4 82 B8R1.1 CN1C=C(C=O)C=N1 HY-69052 [0,0,0,0,1,0|2,0,1]=4 83 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [1,0,1,0,0,0|2,0,0]=4 84 B7R1.3 CC1=NC=CN=C1 HY-W067358 [2,0,0,0,0,0|0,0,0]=2 85 B7R1.3 ClC1=NC=CN=C1 HY-Y0109 [2,0,0,0,0,0|1,0,0]=3 86 B7R1.3 IC1=CC=CC=N1 HY-W004126 [2,0,0,0,0,0|2,0,0]=4 87 B7R1.3 NC1=NC=CN=C1 HY-34068 [2,0,0,0,0,0|1,0,0]=3 88 B7R1.3 OC1=CC=CN=C1 HY-Y1129 [2,0,0,0,0,0|2,0,0]=4 89 B9R1.2 COC1=CN=CC(Br)=C1 HY-W007427 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.2 COC1=NC(Cl)=CC=C1 HY-W001995 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.2 OCC1=NC(Br)=CC=C1 HY-32836 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.6 CC(=O)C1=CN=CC=N1 HY-W007692 [1,1,0,0,0,0|0,0,1]=3 93 B9R1.6 CC(N)C1=CC=CC=C1 HY-W012848 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.6 C[C@H](N)C1=CC=CC=C1 HY-75095 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271 [1,1,0,0,0,0|1,0,1]=4 96 B9R1.6 O=C(O)C1=NC=CN=C1 HY-76353 [1,1,0,0,0,0|1,0,1]=4 97 B9R1.6 O=C(O)C1=NC=CN=C1 HY-76353R [1,1,0,0,0,0|1,0,1]=4 98 B9R1.8 BrCCC1=CC=CC=C1 HY-Y0199 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.8 CCOC1=CC=CC=C1 HY-Y1207 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.8 CNCC1=CC=CC=C1 HY-W007426 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.8 OCCC1=CC=CC=C1 HY-B1290 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.15 COC1=C(Br)N=CC=C1 HY-W007501 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.15 COC1=NC=CC=C1Br HY-32755 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.69 CC1=CN=C(C)C(C)=N1 HY-W010476 [1,1,0,0,0,0|0,0,0]=2 105 B9R1.69 CC1=NC=C(Br)C=C1N HY-W003575 [1,1,0,0,0,0|2,0,0]=4 106 B9R1.69 NC1=C(Br)N=C(Br)C=N1 HY-79805 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.7 CN1C=NC(CCN)=C1 HY-W053787 [0,1,0,0,1,0|1,0,0]=3 108 B11R1.22 COC(=O)C1=CN=C(C)C=C1 HY-76047 [0,2,0,0,0,0|1,0,1]=4 109 B11R1.83 COC1=CC=C(CCO)C=C1 HY-W004056 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HY-N7069 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.19 CC1=CC=C(C(C)(C)C)C=C1 HY-W040301 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.21 CC1=CC=C(C(C)C)C=C1O HY-N0711 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 HY-N6810 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 HY-N6810R [0,2,0,0,0,0|2,0,0]=4 115 B11R1.278 CC1=NC=C(CO)C(C)=C1O HY-W015210 [0,2,0,0,0,0|2,0,0]=4 116 B7R1.1 CCN1C=CC=N1 HY-Z1094 [1,0,0,0,1,0|1,0,0]=3 117 B7R1.1 OCC1=CC=CS1 HY-34751 [1,0,0,0,1,0|2,0,0]=4 118 B7R1.1 OCC1=CN=CS1 HY-W012905 [1,0,0,0,1,0|2,0,0]=4 119 B7R1.1 OCC1=CNN=C1 HY-33914 [1,0,0,0,1,0|2,0,0]=4 120 B7R1.1 OCC1=COC=C1 HY-W007708 [1,0,0,0,1,0|2,0,0]=4 121 B7R1.2 CC1=CC(N)=NN1 HY-75637 [1,0,0,0,1,0|2,0,0]=4 122 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [1,0,0,0,1,0|2,0,0]=4 123 B7R1.2 CC1=CN=C(N)S1 HY-WAA0093 [1,0,0,0,1,0|2,0,0]=4 124 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [1,0,0,0,1,0|2,0,0]=4