0 B9R1.3 CC1=C(Br)C=CC=C1N HY-50097 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.3 CC1=C(O)C(=O)C=CO1 HY-W012788 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.3 CC1=C(O)C(O)=CC=C1 HY-W012815 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.3 CC1=CN=CC(F)=C1N HY-W100209 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.3 ClC1=CN=CC(Cl)=C1Cl HY-W016371 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.3 OC1=C(Br)C=CC=C1Br HY-Y1667 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.3 OC1=CC=CC(F)=C1O HY-W007482 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.3 OC1=CC=CC(O)=C1O HY-N1579 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.3 OC1=CC=CC(O)=C1O HY-N1579R [0,0,0,0,0,0|2,0,0]=2 9 B8R1.4 BrC1=CC=CC(Br)=N1 HY-59162 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.4 BrC1=CC=CC(I)=C1 HY-32149 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.4 BrC1=CN=CC(Br)=C1 HY-Y0491 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.4 BrC1=NC=CC(I)=C1 HY-W008398 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.4 CC1=CC(Br)=CC=N1 HY-W007447 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.4 CC1=CC(C)=O[Ru]O1 HY-W020958 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.4 CC1=CC(Cl)=NC=C1 HY-W010423 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.4 CC1=CC(N)=NC=C1 HY-W003969 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.4 CC1=CN=CC(C)=N1 HY-W040790 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.4 CC1=NC(Cl)=CC=C1 HY-W001993 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.4 ClC1=CC=NC(Br)=C1 HY-W003129 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.4 ClC1=CN=CC(Br)=C1 HY-W003165 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.4 ClC1=CN=CC(Cl)=C1 HY-W015627 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.4 ClC1=NC=CC(Br)=C1 HY-32752 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.4 ClC1=NC=CC(I)=C1 HY-32754 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.4 FC1=CC(Br)=NC=C1 HY-W003601 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.4 FC1=NC=CC(Br)=C1 HY-32742 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.4 NC1=CC(Br)=CN=C1 HY-66052 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.4 NC1=CC=CC(N)=N1 HY-Y0198 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.4 NC1=NC(Br)=CC=C1 HY-Y1049 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.4 NC1=NC=CC(Br)=C1 HY-41000 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.4 NC1=NC=CC(Cl)=C1 HY-60325 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.4 NC1=NC=CC(F)=C1 HY-W005118 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.4 O=C1C=C(O)C=CN1 HY-Y0426 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.4 O=C1C=CC=C(O)N1 HY-W036553 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.4 OC1=CC(Cl)=NC=C1 HY-I0304 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.4 OC1=CC=CC(I)=C1 HY-W007364 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.4 OC1=CN=CC(Br)=C1 HY-66053 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.4 OC1=NC=CC(Br)=C1 HY-65036 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.5 CC1=C(Br)N=CC=C1 HY-W007712 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.5 CC1=C(C)N=CC=N1 HY-W015914 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.5 CC1=NC=CC=C1Br HY-W002494 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.5 CC1=NC=CC=C1O HY-W002339 [1,0,0,0,0,0|1,0,0]=2 42 B8R1.5 ClC1=C(Br)N=CC=C1 HY-W007662 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.5 ClC1=C(Cl)N=CC=C1 HY-W012591 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.5 ClC1=NC=CC=C1Br HY-32751 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.5 ClC1=NC=CC=C1I HY-32753 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.5 FC1=CC=CC=C1I HY-34673 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.5 FC1=CN=CC=C1I HY-W012392 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.5 NC1=C(Cl)C=CN=C1 HY-33868 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.5 NC1=C(I)C=NC=C1 HY-W002945 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.5 NC1=C(N)C=NC=C1 HY-14946 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.5 NC1=C(O)C=CC=N1 HY-W007794 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.5 NC1=CC=CC=C1I HY-W007318 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.5 NC1=CC=CN=C1Br HY-66051 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.5 NC1=CC=CN=C1Cl HY-Y0244 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.5 NC1=NC=CC=C1I HY-32813 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.5 O=C1C=COC=C1O HY-N1997 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.5 OC1=C(F)C=CC=C1 HY-41755 [1,0,0,0,0,0|1,0,0]=2 58 B8R1.5 OC1=CC=CN=C1Br HY-20026 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.5 OC1=CC=CN=C1Cl HY-32833 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.5 ON1C=CC=CC1=S HY-B1747 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.5 [O-][N+]1=CC=CC=C1[S-] HY-125785A [1,0,0,0,0,0|2,0,1]=4 62 B10R1.2 CC1=C(O)C(C=O)=CC=C1 HY-W007934 [0,1,0,0,0,0|0,0,1]=2 63 B10R1.2 CCC1=C(O)C(=O)C=CO1 HY-W010320 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.2 CCC1=C(O)C(=O)C=CO1 HY-W010320R [0,1,0,0,0,0|2,0,0]=3 65 B10R1.2 CCC1=CC=CC(C)=C1O HY-W089538 [0,1,0,0,0,0|0,0,0]=1 66 B10R1.22 CC1=CC(=O)C=C(C)C1=O HY-W015816 [0,1,0,0,0,0|0,0,1]=2 67 B10R1.22 CC1=CC(C)=C(C)C(O)=C1 HY-W015812 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.22 CC1=CC(C)=C(O)C(C)=C1 HY-W038786 [0,1,0,0,0,0|0,0,0]=1 69 B10R1.22 CC1=CC(O)=CC(C)=C1Cl HY-B1414 [0,1,0,0,0,0|1,0,0]=2 70 B10R1.22 CC1=CC(O)=CC(C)=C1O HY-W004874 [0,1,0,0,0,0|0,0,0]=1 71 B10R1.22 OC1=C(I)C=C(I)C=C1I HY-W073687 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.22 OC1=CC(Cl)=CC(Cl)=C1O HY-133609 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.119 CC1=C(C)C(C)=C(C)C=C1 HY-W006416 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.119 CC1=C(O)C(=O)C=CN1C HY-B0568 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.119 CC1=C(O)C(=O)C=CN1C HY-B0568R [0,1,0,0,0,0|2,0,0]=3 76 B10R1.119 CN1C=CC(=O)N(C)C1=O HY-W008343 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.119 OC1=CC=C(F)C(O)=C1F HY-124472 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.245 N#CC1=C(Cl)C=CC=C1Cl HY-B1987 [0,1,0,0,0,0|3,0,0]=4 79 B8R0.6 C\C=C\C=C\C(=O)OC HY-W068700 [0,0,1,0,0,0|3,0,0]=4 80 B8R1.50 CC1=C(O)C(=O)CO1 HY-W012927 [0,0,0,0,1,0|2,0,1]=4 81 B8R1.50 CC1=NNC(C)=C1Br HY-W016754 [0,0,0,0,1,0|3,0,0]=4 82 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [1,0,1,0,0,0|0,0,2]=4 83 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [1,0,1,0,0,0|1,0,0]=3 84 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [1,0,1,0,0,0|1,0,0]=3 85 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [1,0,1,0,0,0|1,0,1]=4 86 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [1,0,1,0,0,0|1,0,1]=4 87 B7R1.3 CC1=NC=CN=C1 HY-W067358 [2,0,0,0,0,0|2,0,0]=4 88 B7R1.3 IC1=CC=CC=C1 HY-Y0747 [2,0,0,0,0,0|1,0,0]=3 89 B7R1.3 IC1=CC=CC=N1 HY-W004126 [2,0,0,0,0,0|2,0,0]=4 90 B7R1.3 O=C1C=CC=CN1 HY-Y0191 [2,0,0,0,0,0|1,0,1]=4 91 B7R1.3 OC1=CC=CN=C1 HY-Y1129 [2,0,0,0,0,0|1,0,0]=3 92 B9R1.2 C#CC1=CC(N)=CC=C1 HY-W007423 [1,1,0,0,0,0|1,0,1]=4 93 B9R1.2 CC1=CC(C=O)=CC=C1 HY-78086 [1,1,0,0,0,0|0,0,1]=3 94 B9R1.2 CC1=CC=CC(C#N)=N1 HY-W002490 [1,1,0,0,0,0|1,0,1]=4 95 B9R1.2 COC1=CC(Cl)=NC=C1 HY-W007914 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.2 COC1=CC(N)=NC=C1 HY-20459 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.2 COC1=CC(O)=CC=C1 HY-Y1840 [1,1,0,0,0,0|1,0,0]=3 98 B9R1.2 COC1=CC=CC(C)=C1 HY-115127 [1,1,0,0,0,0|0,0,0]=2 99 B9R1.2 COC1=CN=CC(Br)=C1 HY-W007427 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.2 COC1=NC(Cl)=CC=C1 HY-W001995 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.2 NCC1=CC(Cl)=NC=C1 HY-101771A [1,1,0,0,0,0|2,0,0]=4 102 B9R1.2 NCC1=CC(O)=CC=C1 HY-W069508 [1,1,0,0,0,0|1,0,0]=3 103 B9R1.2 O=CC1=CC(Cl)=CC=C1 HY-Y1863 [1,1,0,0,0,0|1,0,1]=4 104 B9R1.2 O=CC1=CC=CC(O)=C1 HY-76006 [1,1,0,0,0,0|1,0,1]=4 105 B9R1.2 OCC1=CC(Cl)=NC=C1 HY-W003365 [1,1,0,0,0,0|2,0,0]=4 106 B9R1.2 OCC1=NC(Br)=CC=C1 HY-32836 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.34 CC1=CC(=O)C=C(C)O1 HY-W010469 [1,1,0,0,0,0|1,0,0]=3 108 B9R1.34 CC1=CC(Br)=CC(Br)=C1 HY-W011934 [1,1,0,0,0,0|1,0,0]=3 109 B9R1.34 CC1=CC(O)=CC(O)=C1 HY-D0168 [1,1,0,0,0,0|1,0,0]=3 110 B9R1.34 OC1=CC(Br)=CC(Br)=C1 HY-W007905 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.69 CC1=C(Br)C=CC(Br)=N1 HY-W003282 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.69 CC1=CC(Br)=C(O)C=C1 HY-W016153 [1,1,0,0,0,0|1,0,0]=3 113 B9R1.69 CC1=CC(Br)=CN=C1N HY-75420 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.69 CC1=CC(Br)=CNC1=O HY-75423 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.69 CC1=CC(Br)=NC=C1Br HY-W009498 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.69 CC1=CC(Cl)=NC=C1Br HY-W014584 [1,1,0,0,0,0|2,0,0]=4 117 B9R1.69 CC1=CC(O)=C(O)C=C1 HY-W012814 [1,1,0,0,0,0|1,0,0]=3 118 B9R1.69 CC1=CC(O)=CC=C1N HY-W012824 [1,1,0,0,0,0|1,0,0]=3 119 B9R1.69 CC1=CC(O)=CC=C1O HY-W012817 [1,1,0,0,0,0|1,0,0]=3 120 B9R1.69 CC1=CN=C(C)C(C)=N1 HY-W010476 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.69 FC1=C(I)C=CC(Br)=C1 HY-42121 [1,1,0,0,0,0|2,0,0]=4 122 B9R1.69 FC1=CC=C(F)C(Br)=C1 HY-79541 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.69 NC1=C(O)C=C(F)C=C1 HY-W007345 [1,1,0,0,0,0|2,0,0]=4 124 B9R1.69 NC1=CC=C(F)C(Cl)=C1 HY-Y0680 [1,1,0,0,0,0|2,0,0]=4 125 B9R1.69 OC1=C(F)C=C(F)C=C1 HY-W012725 [1,1,0,0,0,0|2,0,0]=4 126 B9R1.69 OC1=CC=C(Cl)C(O)=C1 HY-W015658 [1,1,0,0,0,0|2,0,0]=4 127 B9R1.69 OC1=CC=C(Cl)C=C1O HY-133597 [1,1,0,0,0,0|2,0,0]=4 128 B9R1.69 OC1=CC=C(F)C(O)=C1 HY-W003112 [1,1,0,0,0,0|2,0,0]=4 129 B9R1.69 OC1=CC=C(F)C=C1Br HY-W003971 [1,1,0,0,0,0|2,0,0]=4 130 B9R1.69 OC1=CC=C(O)C(O)=C1 HY-W010451 [1,1,0,0,0,0|2,0,0]=4 131 B9R1.15 C#CC1=CC=CC=C1Cl HY-W002586 [1,1,0,0,0,0|1,0,1]=4 132 B9R1.15 CC1=CC=CC=C1C=O HY-Y0442 [1,1,0,0,0,0|0,0,1]=3 133 B9R1.15 COC1=C(Br)N=CC=C1 HY-W007501 [1,1,0,0,0,0|2,0,0]=4 134 B9R1.15 COC1=C(C)C=CC=C1 HY-W027751 [1,1,0,0,0,0|0,0,0]=2 135 B9R1.15 COC1=CC=CC=C1O HY-B2115 [1,1,0,0,0,0|0,0,0]=2 136 B9R1.15 COC1=CC=CC=C1O HY-N1380 [1,1,0,0,0,0|0,0,0]=2 137 B9R1.15 COC1=CC=CC=C1O HY-N1380R [1,1,0,0,0,0|0,0,0]=2 138 B9R1.15 COC1=NC=CC=C1Br HY-32755 [1,1,0,0,0,0|2,0,0]=4 139 B9R1.15 N#CC1=CC=CC=C1O HY-W012869 [1,1,0,0,0,0|0,0,1]=3 140 B9R1.15 NC1=CC=CC=C1CO HY-W004705 [1,1,0,0,0,0|1,0,0]=3 141 B9R1.15 NCC1=CC=CC=C1O HY-34350 [1,1,0,0,0,0|0,0,0]=2 142 B9R1.15 O=CC1=CC=CC=C1I HY-W007846 [1,1,0,0,0,0|1,0,1]=4 143 B9R1.15 OCC1=CC=CC=C1I HY-W004678 [1,1,0,0,0,0|1,0,0]=3 144 B9R1.15 OCC1=CC=CC=C1O HY-B1419 [1,1,0,0,0,0|0,0,0]=2 145 B11R1.8 OCC1=CC(O)=CC(Cl)=C1O HY-151168 [0,2,0,0,0,0|1,0,0]=3 146 B11R1.159 CC(C)C1=C(O)C(O)=CC=C1 HY-W101666 [0,2,0,0,0,0|1,0,0]=3 147 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 HY-W012581 [0,2,0,0,0,0|1,0,1]=4 148 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 HY-B1399 [0,2,0,0,0,0|0,0,1]=3 149 B11R1.159 NC1=CC=CC(C(=O)O)=C1O HY-W206016 [0,2,0,0,0,0|1,0,1]=4 150 B11R1.159 O=C(O)C1=CC=CC(O)=C1O HY-Y0202 [0,2,0,0,0,0|1,0,1]=4 151 B11R1.159 O=[N+]([O-])C1=CC=CC(Br)=C1O HY-W040886 [0,2,0,0,0,0|2,0,0]=4 152 B11R1.265 COC1=C(OC)C(C)=NC=C1 HY-W106075 [0,2,0,0,0,0|1,0,0]=3 153 B11R1.265 N#CC1=C(F)C=CC=C1CBr HY-Z1576 [0,2,0,0,0,0|2,0,0]=4 154 B11R1.267 COC1=CC=CC(OC)=C1O HY-W003972 [0,2,0,0,0,0|0,0,0]=2 155 B11R1.278 CC1=NC=C(CO)C(C)=C1O HY-W015210 [0,2,0,0,0,0|1,0,0]=3 156 B11R1.14 CC1=CC(C=O)=CC(C)=C1O HY-W007807 [0,2,0,0,0,0|0,0,0]=2 157 B11R1.14 N#CC1=CC(I)=C(O)C(I)=C1 HY-121287 [0,2,0,0,0,0|2,0,0]=4 158 B11R1.14 O=CC1=CC(O)=C(O)C(O)=C1 HY-W004486 [0,2,0,0,0,0|2,0,0]=4 159 B11R1.32 CC1=C(Cl)C(C)=C(Cl)C(O)=C1 HY-W140799 [0,2,0,0,0,0|1,0,0]=3 160 B11R1.32 CC1=C(O)C(C)=C(C)C(O)=C1 HY-W017378 [0,2,0,0,0,0|0,0,0]=2 161 B11R1.464 CC1=CC(C)=C(C=O)C(C)=C1 HY-W017469 [0,2,0,0,0,0|0,0,1]=3 162 B11R1.464 COC1=C(I)C=C(I)C=C1I HY-24268 [0,2,0,0,0,0|2,0,0]=4 163 B11R1.464 COC1=C(O)C=C(O)C=C1O HY-13938 [0,2,0,0,0,0|2,0,0]=4 164 B11R1.156 CC1=CC=CC(C)=C1B(O)O HY-W002725 [0,2,0,0,0,0|0,0,0]=2 165 B11R1.156 CC1=CC=CC(N)=C1C(=O)O HY-41496 [0,2,0,0,0,0|1,0,0]=3 166 B11R1.156 NC1=CC=CC(F)=C1C(=O)O HY-W001131 [0,2,0,0,0,0|2,0,0]=4 167 B11R1.156 O=C(O)C1=C(O)C=CC=C1O HY-Y0801 [0,2,0,0,0,0|2,0,0]=4 168 B11R1.156 OB(O)C1=C(F)C=CC=C1F HY-32885 [0,2,0,0,0,0|2,0,0]=4 169 B9R1.5 O=C1C=CC=CC=C1O HY-N7135 [0,0,1,1,0,0|1,0,1]=4 170 B9R1.1 CC1=CC=C(C=O)C=C1 HY-W012860 [0,0,1,1,0,0|2,0,0]=4 171 B9R1.1 CNC1=CC=C(C)C=C1 HY-W017767 [0,0,1,1,0,0|2,0,0]=4 172 B9R1.1 COC1=CC=C(C)C=C1 HY-W012835 [0,0,1,1,0,0|2,0,0]=4 173 B11R2.106 CC1=C2NC=CC2=CC=C1 HY-W007670 [0,1,0,1,0,0|1,0,1]=4 174 B11R2.106 FC1=CC=CC2=NON=C12 HY-D0111 [0,1,0,1,0,0|2,0,0]=4 175 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [1,0,0,0,1,0|2,0,0]=4 176 B7R1.4 CC1=CNN=C1C HY-W019334 [1,0,0,0,1,0|2,0,0]=4