0 B9R1.3 CC1=C(Br)C=CC=C1N HY-50097 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.3 CC1=C(O)C(=O)C=CO1 HY-W012788 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.3 CC1=C(O)C(O)=CC=C1 HY-W012815 [0,0,0,0,0,0|1,0,1]=2 3 B9R1.3 CC1=CN=CC(F)=C1N HY-W100209 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.3 OC1=C(Br)C=CC=C1Br HY-Y1667 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.3 OC1=CC=CC(F)=C1O HY-W007482 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.3 OC1=CC=CC(O)=C1O HY-N1579 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.3 OC1=CC=CC(O)=C1O HY-N1579R [0,0,0,0,0,0|2,0,1]=3 8 B8R1.4 BrC1=CC=CC(I)=C1 HY-32149 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.4 BrC1=NC=CC(I)=C1 HY-W008398 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.4 CC1=CC(Br)=CC=N1 HY-W007447 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.4 CC1=CC(C)=O[Ru]O1 HY-W020958 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.4 CC1=CC(Cl)=NC=C1 HY-W010423 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.4 CC1=CC(N)=NC=C1 HY-W003969 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.4 CC1=NC(Cl)=CC=C1 HY-W001993 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.4 ClC1=CC=NC(Br)=C1 HY-W003129 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.4 ClC1=NC=CC(Br)=C1 HY-32752 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.4 ClC1=NC=CC(I)=C1 HY-32754 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.4 FC1=CC(Br)=NC=C1 HY-W003601 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.4 FC1=NC=CC(Br)=C1 HY-32742 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.4 NC1=NC(=O)C=CN1 HY-W002272 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.4 NC1=NC=CC(Br)=C1 HY-41000 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.4 NC1=NC=CC(Cl)=C1 HY-60325 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.4 NC1=NC=CC(F)=C1 HY-W005118 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.4 O=C1C=C(O)C=CN1 HY-Y0426 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.4 O=C1C=CC=C(O)N1 HY-W036553 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.4 O=C1C=CNC(=O)N1 HY-I0960R [1,0,0,0,0,0|3,0,0]=4 28 B8R1.4 O=C1C=CNC(=S)N1 HY-B0503 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.4 O=[13C]1[13CH]=[13CH][15NH][13C](=O)[15NH]1 HY-I0960S3 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.4 OC1=CC(Cl)=NC=C1 HY-I0304 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.4 OC1=CC=CC(I)=C1 HY-W007364 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.4 OC1=NC=CC(Br)=C1 HY-65036 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.5 CC1=C(Br)N=CC=C1 HY-W007712 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.5 CC1=C(C)N=CC=N1 HY-W015914 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.5 CC1=NC=CC=C1Br HY-W002494 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.5 CC1=NC=CC=C1O HY-W002339 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.5 ClC1=C(Br)N=CC=C1 HY-W007662 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.5 ClC1=C(Cl)N=CC=C1 HY-W012591 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.5 ClC1=NC=CC=C1Br HY-32751 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.5 ClC1=NC=CC=C1I HY-32753 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.5 FC1=CC=CC=C1I HY-34673 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.5 FC1=CN=CC=C1I HY-W012392 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.5 NC1=C(Cl)C=CN=C1 HY-33868 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.5 NC1=C(I)C=NC=C1 HY-W002945 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.5 NC1=C(N)C=NC=C1 HY-14946 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.5 NC1=C(O)C=CC=N1 HY-W007794 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.5 NC1=CC=CC=C1I HY-W007318 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.5 NC1=CC=CN=C1Br HY-66051 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.5 NC1=CC=CN=C1Cl HY-Y0244 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.5 NC1=NC=CC=C1I HY-32813 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.5 O=C1C=COC=C1O HY-N1997 [1,0,0,0,0,0|0,0,0]=1 52 B8R1.5 OC1=C(F)C=CC=C1 HY-41755 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.5 OC1=CC=CN=C1Br HY-20026 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.5 OC1=CC=CN=C1Cl HY-32833 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.5 ON1C=CC=CC1=S HY-B1747 [1,0,0,0,0,0|2,1,0]=4 56 B10R1.2 CC1=C(O)C(C=O)=CC=C1 HY-W007934 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.2 CCC1=C(O)C(=O)C=CO1 HY-W010320 [0,1,0,0,0,0|0,0,0]=1 58 B10R1.2 CCC1=C(O)C(=O)C=CO1 HY-W010320R [0,1,0,0,0,0|0,0,0]=1 59 B10R1.2 CCC1=CC=CC(C)=C1O HY-W089538 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.22 CC1=CC(=O)C=C(C)C1=O HY-W015816 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.22 CC1=CC(C)=C(C)C(O)=C1 HY-W015812 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.22 CC1=CC(C)=C(O)C(C)=C1 HY-W038786 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.22 CC1=CC(O)=CC(C)=C1Cl HY-B1414 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.22 CC1=CC(O)=CC(C)=C1O HY-W004874 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.22 OC1=C(I)C=C(I)C=C1I HY-W073687 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.22 OC1=CC(Cl)=CC(Cl)=C1O HY-133609 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.119 CC1=C(C)C(C)=C(C)C=C1 HY-W006416 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.119 CC1=C(O)C(=O)C=CN1C HY-B0568 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.119 CC1=C(O)C(=O)C=CN1C HY-B0568R [0,1,0,0,0,0|1,0,0]=2 70 B10R1.119 OC1=CC=C(F)C(O)=C1F HY-124472 [0,1,0,0,0,0|3,0,0]=4 71 B8R0.6 C\C=C\C=C\C(=O)OC HY-W068700 [0,0,1,0,0,0|3,0,0]=4 72 B8R1.50 CC1=C(O)C(=O)CO1 HY-W012927 [0,0,0,0,1,0|0,0,1]=2 73 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [1,0,1,0,0,0|1,0,1]=4 74 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [1,0,1,0,0,0|2,0,0]=4 75 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,0,1,0,0,0|1,0,1]=4 76 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [1,0,1,0,0,0|1,0,0]=3 77 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [1,0,1,0,0,0|1,0,0]=3 78 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [1,0,1,0,0,0|1,0,1]=4 79 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [1,0,1,0,0,0|1,0,1]=4 80 B7R1.3 CC1=NC=CN=C1 HY-W067358 [2,0,0,0,0,0|2,0,0]=4 81 B7R1.3 IC1=CC=CC=C1 HY-Y0747 [2,0,0,0,0,0|2,0,0]=4 82 B7R1.3 IC1=CC=CC=N1 HY-W004126 [2,0,0,0,0,0|2,0,0]=4 83 B7R1.3 O=C1C=CC=CN1 HY-Y0191 [2,0,0,0,0,0|2,0,0]=4 84 B7R1.3 OC1=CC=CN=C1 HY-Y1129 [2,0,0,0,0,0|1,0,0]=3 85 B9R1.2 CC1=CC(C=O)=CC=C1 HY-78086 [1,1,0,0,0,0|1,0,0]=3 86 B9R1.2 COC1=CC(O)=CC=C1 HY-Y1840 [1,1,0,0,0,0|1,0,1]=4 87 B9R1.2 COC1=CC=CC(C)=C1 HY-115127 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.2 NCC1=CC(O)=CC=C1 HY-W069508 [1,1,0,0,0,0|1,0,1]=4 89 B9R1.2 O=CC1=CC(Cl)=CC=C1 HY-Y1863 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.2 O=CC1=CC(Cl)=NC=C1 HY-W010309 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.2 O=CC1=CC=CC(O)=C1 HY-76006 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.34 CC1=CC(=O)C=C(C)O1 HY-W010469 [1,1,0,0,0,0|0,0,0]=2 93 B9R1.34 CC1=CC(=O)NC(=O)N1 HY-Y1125 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.34 CC1=CC(=O)NC(=S)N1 HY-B0513 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.34 CC1=CC(Br)=CC(Br)=C1 HY-W011934 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.34 CC1=CC(O)=CC(O)=C1 HY-D0168 [1,1,0,0,0,0|1,0,1]=4 97 B9R1.69 CC1=CC(Br)=C(O)C=C1 HY-W016153 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.69 CC1=CC(O)=C(O)C=C1 HY-W012814 [1,1,0,0,0,0|1,0,1]=4 99 B9R1.69 CC1=CC(O)=CC=C1N HY-W012824 [1,1,0,0,0,0|1,0,1]=4 100 B9R1.69 CC1=CC(O)=CC=C1O HY-W012817 [1,1,0,0,0,0|1,0,1]=4 101 B9R1.15 CC1=CC=CC=C1C=O HY-Y0442 [1,1,0,0,0,0|1,0,1]=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=C(C)C=CC=C1 HY-W027751 [1,1,0,0,0,0|1,0,0]=3 104 B9R1.15 COC1=CC=CC=C1O HY-B2115 [1,1,0,0,0,0|1,0,0]=3 105 B9R1.15 COC1=CC=CC=C1O HY-N1380 [1,1,0,0,0,0|1,0,0]=3 106 B9R1.15 COC1=CC=CC=C1O HY-N1380R [1,1,0,0,0,0|1,0,0]=3 107 B9R1.15 COC1=NC=CC=C1Br HY-32755 [1,1,0,0,0,0|2,0,0]=4 108 B9R1.15 N#CC1=CC=CC=C1O HY-W012869 [1,1,0,0,0,0|1,0,1]=4 109 B9R1.15 NC1=CC=CC=C1CO HY-W004705 [1,1,0,0,0,0|2,0,0]=4 110 B9R1.15 NCC1=CC=CC=C1O HY-34350 [1,1,0,0,0,0|1,0,0]=3 111 B9R1.15 O=CC1=CC=CC=C1I HY-W007846 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.15 OCC1=CC=CC=C1I HY-W004678 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.15 OCC1=CC=CC=C1O HY-B1419 [1,1,0,0,0,0|1,0,0]=3 114 B9R1.37 CC1=C(O)C(=O)C(C)O1 HY-N7093 [0,1,0,0,1,0|0,0,1]=3 115 B11R1.8 OCC1=CC(O)=CC(Cl)=C1O HY-151168 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.159 CC(C)C1=C(O)C(O)=CC=C1 HY-W101666 [0,2,0,0,0,0|1,0,1]=4 117 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 HY-W012581 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 HY-B1399 [0,2,0,0,0,0|1,0,0]=3 119 B11R1.159 NC1=CC=CC(C(=O)O)=C1O HY-W206016 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.159 O=C(O)C1=CC=CC(O)=C1O HY-Y0202 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.159 O=[N+]([O-])C1=CC=CC(Br)=C1O HY-W040886 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.265 COC1=C(OC)C(C)=NC=C1 HY-W106075 [0,2,0,0,0,0|1,0,1]=4 123 B11R1.267 COC1=CC=CC(OC)=C1O HY-W003972 [0,2,0,0,0,0|1,0,1]=4 124 B11R1.278 CC1=NC=C(CO)C(C)=C1O HY-W015210 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.14 CC1=CC(C=O)=CC(C)=C1O HY-W007807 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.32 CC1=C(O)C(C)=C(C)C(O)=C1 HY-W017378 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.156 CC1=CC=CC(C)=C1B(O)O HY-W002725 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.156 CC1=CC=CC(N)=C1C(=O)O HY-41496 [0,2,0,0,0,0|2,0,0]=4 129 B9R1.5 O=C1C=CC=CC=C1O HY-N7135 [0,0,1,1,0,0|1,0,1]=4 130 B9R1.1 CC1=CC=C(C=O)C=C1 HY-W012860 [0,0,1,1,0,0|2,0,0]=4 131 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,0,1,0|0,0,2]=4 132 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [1,0,0,0,1,0|2,0,0]=4 133 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,0,0,0,1,0|1,0,1]=4 134 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [1,0,0,0,1,0|2,0,0]=4 135 B7R1.4 CN1SC=CC1=O HY-W010243 [1,0,0,0,1,0|1,1,0]=4 136 B7R1.4 CN1SC=CC1=O HY-W010520 [1,0,0,0,1,0|1,1,0]=4