0 B10R1.3 C#CC1=CC=C(CC)C=C1 HY-W012717 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.3 C#CC1=CC=C(OC)C=C1 HY-W004104 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.3 CCC1=CC=C(C=O)C=C1 HY-W012657 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.3 COC1=CC=C(C=O)C=C1 HY-Y0740 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.3 COC1=CC=C(C=O)C=N1 HY-32788 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.3 COC1=CC=C(CO)C=C1 HY-W015777 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.3 COC1=CC=C(OC)C=C1 HY-W015780 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.3 COC1=CC=C(OC)C=C1 HY-W015780R [0,0,0,0,0,0|2,0,1]=3 8 B10R1.3 COC1=CN=C(OC)C=C1 HY-W051248 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.3 N#CC1=CC=C(CN)C=C1 HY-W007809 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.3 N#CC1=CC=C(NN)C=C1 HY-41677 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.3 O=CC1=CC=C(C=O)C=C1 HY-Y0425 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.1 C#CC1=CC=C(Br)C=C1 HY-W007542 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.1 C#CC1=CC=C(N)C=C1 HY-W004660 [1,0,0,0,0,0|1,0,2]=4 14 B9R1.1 C=CC1=CC=C(O)C=C1 HY-W005288 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.1 CC1=CC=C(C=O)C=C1 HY-W012860 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.1 CCC1=CC=C(O)C=C1 HY-W012836 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.1 CNC1=CC=C(C)C=C1 HY-W017767 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.1 COC1=CC=C(C)C=C1 HY-W012835 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.1 COC1=CC=C(O)C=C1 HY-30270 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.1 COC1=NC=C(Br)C=C1 HY-32756 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.1 COC1=NC=C(N)C=C1 HY-W001994 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.1 NC1=CC=C(C=O)C=C1 HY-W076836 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.1 NC1=CC=C(CO)C=C1 HY-W007465 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.1 NCC1=CC=C(I)C=C1 HY-W013964 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.1 NCC1=CC=C(O)C=C1 HY-W004078 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.1 O=CC1=CC=C(Br)C=C1 HY-W001138 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.1 O=CC1=CC=C(Br)N=C1 HY-32786 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.1 O=CC1=CC=C(F)C=C1 HY-Y0197 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.1 O=CC1=CC=C(I)C=C1 HY-W002179 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.1 O=CC1=CC=C(O)C=C1 HY-Y0313 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.1 O=CC1=CC=C(O)C=C1 HY-Y0313R [1,0,0,0,0,0|2,0,0]=3 32 B9R1.1 OCC1=CC=C(Br)N=C1 HY-W016116 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.1 OCC1=CC=C(O)C=C1 HY-Y0892 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.1 OCC1=NC=C(Br)C=C1 HY-32837 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.1 OCC1=NC=C(O)C=C1 HY-W007140 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 HY-W007533 [0,1,0,0,0,0|1,0,2]=4 37 B11R1.3 CC(C)C1=CC=C(C=O)C=C1 HY-Y0790 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HY-N7069 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 HY-Y0015 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.3 COC1=CC=C(C(=O)O)C=C1 HY-N1394 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.3 COC1=CC=C(C(=O)O)C=C1 HY-N1394R [0,1,0,0,0,0|2,0,0]=3 42 B11R1.3 COC1=CC=C(C(C)=O)C=C1 HY-Y0024 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.3 COC1=CC=C(C(N)=O)C=N1 HY-112584 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.3 COC1=CC=C(C(N)=S)C=C1 HY-W017115 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 HY-B1258 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 HY-W017382 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 HY-21496 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 HY-W017384 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 HY-W017446 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 HY-W007577 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 HY-W015570 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.3 OCC1=CC=C(B(O)O)C=C1 HY-W000949 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.83 C=CCC1=CC=C(OC)C=C1 HY-N5060 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.83 COC1=CC=C(CCO)C=C1 HY-W004056 [0,1,0,0,0,0|1,0,1]=3 55 B11R1.83 COC1=CC=C(N=C=S)C=C1 HY-W540232 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 HY-N0367 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.83 [N-]=[N+]=NC1=CC=C(CO)C=C1 HY-151840 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.279 COC1=C(F)C=C(C=O)C=C1 HY-W007614 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.279 COC1=CC=C(C=O)C=C1O HY-I0637 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.21 O=CC1=CC=C(CO)O1 HY-Y0051 [0,0,0,0,1,0|3,0,0]=4 61 B8R1.2 BrCC1=CC=CN=C1 HY-W004131 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.2 COC1=CC=NC=C1 HY-W007634 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.2 COC1=CN=CC=C1 HY-W008119 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.2 NCC1=CC=CC=C1 HY-76253 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.2 NCC1=CC=CN=C1 HY-Y0047 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.2 NCC1=CC=NC=C1 HY-W007632 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 O=NC1=CC=CC=C1 HY-121641 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.2 O=[As]C1=CC=CC=C1 HY-131901 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.2 OCC1=CC=CC=C1 HY-B0892R [2,0,0,0,0,0|1,0,0]=3 72 B8R1.2 OCC1=CC=CN=C1 HY-B0893 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.2 OCC1=NC=CC=C1 HY-Y0004 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.3 CC1=CC=C(N)C=N1 HY-66048 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.3 CC1=CN=C(Br)C=C1 HY-W007353 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.3 ClC1=CC=C(Cl)C=C1 HY-Y0496 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.3 IC1=CC=C(I)C=C1 HY-W007412 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.3 NC1=CC=C(I)C=C1 HY-I0210 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.1 C=CCC1=CC=C(C)C=C1 HY-W074514 [1,1,0,0,0,0|0,0,0]=2 81 B10R1.1 C=CCC1=CC=C(O)C=C1 HY-W159754 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.1 CCOC1=CC=C(O)C=C1 HY-W015786 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.1 CNCC1=CC=C(F)C=C1 HY-W114781 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.1 N#CCC1=CC=C(Cl)C=C1 HY-W017390 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.1 N#CCC1=CC=C(O)C=C1 HY-W015823 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.1 NCCC1=CC=C(Br)C=C1 HY-42346 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.1 NCCC1=CC=C(O)C=C1 HY-W007606 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.1 NCCC1=CC=C(O)C=C1 HY-W007606R [1,1,0,0,0,0|1,0,0]=3 89 B10R1.1 NCCC1=CC=C(O)C=C1 HY-W016823 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.1 OCCC1=CC=C(O)C=C1 HY-N0474 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.1 OCCC1=CC=C(O)C=C1 HY-N0474R [1,1,0,0,0,0|1,0,0]=3 92 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 HY-20436 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HY-W012653 [1,1,0,0,0,0|0,0,1]=3 94 B10R1.13 CC(=O)C1=CC=C(F)C=C1 HY-Y0779 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.13 CC(=O)C1=CC=C(N)C=C1 HY-W008818 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.13 CC(=O)C1=CC=C(O)C=C1 HY-Y0073 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.13 CC(=O)C1=CC=C(O)C=C1 HY-Y0073R [1,1,0,0,0,0|1,0,1]=4 98 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 HY-W074486 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.13 CC1=CC=C(B(O)O)C=C1 HY-21626 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.13 CC1=CC=C(C(=O)O)C=C1 HY-76547 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.13 CC1=CC=C(C(N)=S)C=C1 HY-W017393 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.13 CC1=NC=C(C(=O)O)C=C1 HY-W008333 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.13 CC1=NC=C(C(N)=O)C=C1 HY-W015815 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.13 CN(C)C1=CC=C(O)C=C1 HY-34154 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.13 Cc1ccc(C(C)C)cc1 HY-79986 [1,1,0,0,0,0|0,0,1]=3 106 B10R1.13 N=C(N)C1=CC=C(N)C=C1 HY-W018723 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.13 NC(=O)C1=CC=C(N)C=C1 HY-W017041 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.13 NC(=O)C1=CC=C(O)C=C1 HY-W088191 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.13 NC(=S)C1=CC=C(N)C=C1 HY-76144 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.13 NC1=CC=C(C(=O)O)C=C1 HY-B1008 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.13 NC1=CC=C(C(=O)O)C=C1 HY-B1008R [1,1,0,0,0,0|2,0,0]=4 112 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 HY-41465 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.13 O=C(O)C1=CC=C(F)C=C1 HY-W013677 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.13 O=C(O)C1=CC=C(I)C=C1 HY-W013396 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HY-Y0264 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HY-Y0264R [1,1,0,0,0,0|2,0,0]=4 117 B10R1.25 CC1=CC=C(C=O)C(O)=C1 HY-W007888 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.25 CCC1=C(O)C=C(O)C=C1 HY-W015782 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.25 COC1=CC=C(F)C=C1Br HY-W001094 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.25 O=CC1=C(F)C=C(F)C=C1 HY-W007410 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.25 O=CC1=CC=C(Br)C=C1O HY-W001114 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.25 O=CC1=CC=C(O)C=C1O HY-W007539 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.25 OCC1=CC=C(Cl)C=C1Cl HY-W039454 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.176 NCC1=CC(O)=C(O)C=C1 HY-N3023 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 HY-W007518 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.176 O=CC1=CC=C(O)C(O)=C1 HY-N0295 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.5 C(=O)C1=CC=C(C(=O)OC)C=C1 HY-78000 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.5 C=CC1=CC=C(C(=O)OC)C=C1 HY-W008542 [0,2,0,0,0,0|0,0,1]=3 129 B12R1.5 CCC1=CC=C(C(=O)OC)C=C1 HY-W099871 [0,2,0,0,0,0|0,0,1]=3 130 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 HY-W015342 [0,2,0,0,0,0|1,0,1]=4 131 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 HY-W013478 [0,2,0,0,0,0|1,0,1]=4 132 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 HY-N6864 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.48 COC1=CC=C(C(=O)O)C=C1C HY-59384 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.48 COC1=CC=C(C(C)=O)C=C1O HY-W002484 [0,2,0,0,0,0|1,0,1]=4 135 B12R1.113 CCCC1=CC=C(B(O)O)C=C1 HY-W015380 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 HY-W001939 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 HY-W013571 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 HY-75625 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 HY-N0159 [0,2,0,0,0,0|1,0,1]=4 140 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 HY-N0159R [0,2,0,0,0,0|1,0,1]=4 141 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 HY-W067445 [0,2,0,0,0,0|1,0,1]=4 142 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 HY-W017186 [0,2,0,0,0,0|1,0,0]=3 143 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 HY-W004206 [0,2,0,0,0,0|1,0,1]=4 144 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 HY-23963 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 HY-W004128 [0,2,0,0,0,0|1,0,1]=4 146 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 HY-W013605A [0,2,0,0,0,0|1,0,0]=3 147 B12R1.288 COC1=CC=C(CCN)C=C1O HY-W041498 [0,2,0,0,0,0|1,0,1]=4 148 B12R1.78 COC1=CC=C(C=O)C=C1OC HY-N1096 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.2 CCC1=CC=CC(C)=C1O HY-W089538 [0,0,1,1,0,0|1,0,1]=4 150 B12R2.44 COC1=CC=C2NC=CC2=C1 HY-W007328 [0,1,0,1,0,0|1,0,0]=3 151 B12R2.44 N#CC1=CC2=C(C=CN2)C=C1 HY-34502 [0,1,0,1,0,0|1,0,1]=4 152 B12R2.44 N#CC1=CC=C2NC=CC2=C1 HY-77057 [0,1,0,1,0,0|1,0,1]=4 153 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 HY-75251 [0,1,0,1,0,0|1,0,0]=3 154 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [1,0,0,0,1,0|2,0,0]=4 155 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [1,0,0,0,1,0|2,0,0]=4 156 B10R1.172 COC1=CC(C=O)=CC=C1 HY-W007346 [0,0,0,0,1,1|2,0,0]=4