0 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [0,0,0,0,0,0|0,1,0]=1 2 B8R1.1 CC1=CC=C(CO)O1 HY-W087919 [0,0,0,0,0,0|0,0,2]=2 3 B8R1.1 CN1C=C(C=O)C=N1 HY-69052 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.1 O=CC1=CC=C(Br)S1 HY-59174 [0,0,0,0,0,0|1,1,0]=2 5 B8R1.1 O=CC1=CC=C(Cl)S1 HY-W002227 [0,0,0,0,0,0|1,1,0]=2 6 B7R1.1 O=CC1=CC=CS1 HY-W012941 [1,0,0,0,0,0|0,1,0]=2 7 B7R1.1 O=CC1=CN=CS1 HY-69015 [1,0,0,0,0,0|1,1,0]=3 8 B7R1.1 O=CC1=CNC=C1 HY-59307 [1,0,0,0,0,0|2,0,0]=3 9 B7R1.1 O=CC1=CNC=N1 HY-59303 [1,0,0,0,0,0|2,0,0]=3 10 B7R1.1 O=CC1=NC=CN1 HY-W007321 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.1 OCC1=CC=CS1 HY-34751 [1,0,0,0,0,0|0,1,2]=4 12 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,0,0,0|1,0,2]=4 13 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,0,0,0,0,0|0,0,1]=2 14 B7R1.2 CC1=CN=C(N)S1 HY-WAA0093 [1,0,0,0,0,0|2,1,0]=4 15 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,0,0,0|0,0,3]=4 17 B7R1.2 CN1C=CC(N)=N1 HY-76189 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.2 O=C1CCC(=O)O1 HY-79369 [1,0,0,0,0,0|1,0,2]=4 20 B9R1.21 O=CC1=CC=C(CO)O1 HY-Y0051 [0,1,0,0,0,0|0,0,0]=1 21 B9R1.21 OCC1=CC=C(CO)O1 HY-W017782 [0,1,0,0,0,0|0,0,2]=3 22 B9R1.35 CC(=O)C1=CC=C(C)S1 HY-W002097 [0,1,0,0,0,0|0,1,0]=2 23 B9R1.35 CN1C=CC(C(=O)O)=N1 HY-34603 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.35 O=C(O)C1=CC=C(Br)S1 HY-30133 [0,1,0,0,0,0|1,1,0]=3 25 B9R1.35 O=C(O)C1=CC=C(Cl)S1 HY-76835 [0,1,0,0,0,0|1,1,0]=3 26 B9R1.35 O=C(O)C1=CN=C(Br)S1 HY-33287 [0,1,0,0,0,0|2,1,0]=4 27 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [0,0,1,0,0,0|2,0,0]=3 28 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [0,0,1,0,0,0|2,0,0]=3 29 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [0,0,1,0,0,0|2,0,1]=4 30 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [0,0,1,0,0,0|2,0,1]=4 31 B9R1.1 C=CC1=CC=C(O)C=C1 HY-W005288 [0,0,0,0,0,1|3,0,0]=4 32 B9R1.1 CC1=CC=C(C=O)C=C1 HY-W012860 [0,0,0,0,0,1|1,0,0]=2 33 B9R1.1 CNC1=CC=C(C)C=C1 HY-W017767 [0,0,0,0,0,1|3,0,0]=4 34 B9R1.1 COC1=CC=C(C)C=C1 HY-W012835 [0,0,0,0,0,1|3,0,0]=4 35 B9R1.1 NC1=CC=C(C=O)C=C1 HY-W076836 [0,0,0,0,0,1|2,0,0]=3 36 B9R1.1 O=CC1=CC=C(Br)C=C1 HY-W001138 [0,0,0,0,0,1|2,0,0]=3 37 B9R1.1 O=CC1=CC=C(Br)N=C1 HY-32786 [0,0,0,0,0,1|2,0,0]=3 38 B9R1.1 O=CC1=CC=C(F)C=C1 HY-Y0197 [0,0,0,0,0,1|2,0,0]=3 39 B9R1.1 O=CC1=CC=C(I)C=C1 HY-W002179 [0,0,0,0,0,1|2,0,0]=3 40 B9R1.1 O=CC1=CC=C(O)C=C1 HY-Y0313 [0,0,0,0,0,1|2,0,0]=3 41 B9R1.1 O=CC1=CC=C(O)C=C1 HY-Y0313R [0,0,0,0,0,1|2,0,0]=3 42 B9R1.2 CC1=CC(C=O)=CC=C1 HY-78086 [0,0,0,0,0,1|1,0,0]=2 43 B9R1.2 CC1=CC=CC(C#N)=N1 HY-W002490 [0,0,0,0,0,1|2,0,1]=4 44 B9R1.2 COC1=CC=CC(C)=C1 HY-115127 [0,0,0,0,0,1|3,0,0]=4 45 B9R1.2 O=CC1=CC(Br)=CN=C1 HY-W003037 [0,0,0,0,0,1|2,0,0]=3 46 B9R1.2 O=CC1=CC(Cl)=CC=C1 HY-Y1863 [0,0,0,0,0,1|2,0,0]=3 47 B9R1.2 O=CC1=CC(Cl)=NC=C1 HY-W010309 [0,0,0,0,0,1|2,0,0]=3 48 B9R1.2 O=CC1=CC=CC(O)=C1 HY-76006 [0,0,0,0,0,1|2,0,0]=3 49 B9R1.2 O=CC1=NC(Br)=CC=C1 HY-60194 [0,0,0,0,0,1|2,0,0]=3 50 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,0,1,0,0,0|0,0,1]=3 51 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,0,1,0,0,0|0,0,1]=3 52 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,0,1,0,0,0|1,0,1]=4 53 B6R0.6 CCC\C=C\C=O HY-128429 [1,0,1,0,0,0|0,0,2]=4 54 B6R0.6 C\C=C\C=C\CO HY-W017690 [1,0,1,0,0,0|0,0,2]=4 55 B6R1.2 CC1=CC=CS1 HY-W010615 [2,0,0,0,0,0|0,1,0]=3 56 B6R1.2 CC1=NNC=C1 HY-66054 [2,0,0,0,0,0|2,0,0]=4 57 B6R1.2 O=C1C=CCC1 HY-W010643 [2,0,0,0,0,0|1,0,1]=4 58 B6R1.2 O=C1C=CCO1 HY-W008270 [2,0,0,0,0,0|0,0,1]=3 59 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501 [0,1,1,0,0,0|1,0,1]=4 60 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501A [0,1,1,0,0,0|1,0,1]=4 61 B8R1.7 CC(=O)C1=CC=CO1 HY-W015912 [1,1,0,0,0,0|0,0,0]=2 62 B8R1.7 CC(=O)C1=CC=CS1 HY-20585 [1,1,0,0,0,0|0,1,0]=3 63 B8R1.7 CC(=O)C1=CSC=C1 HY-W007361 [1,1,0,0,0,0|2,0,0]=4 64 B8R1.7 CC(=O)C1=NC=CS1 HY-Y0045 [1,1,0,0,0,0|1,1,0]=4 65 B8R1.7 O=C(O)C1=CC=CO1 HY-W012946 [1,1,0,0,0,0|0,0,0]=2 66 B8R1.7 O=C(O)C1=CC=NS1 HY-W042027 [1,1,0,0,0,0|1,1,0]=4 67 B8R1.7 O=C(O)C1=CN=CN1 HY-W007695 [1,1,0,0,0,0|2,0,0]=4 68 B8R1.7 O=C(O)C1=COC=C1 HY-21075 [1,1,0,0,0,0|2,0,0]=4 69 B8R1.7 O=C(O)C1=CSC=C1 HY-W004615 [1,1,0,0,0,0|2,0,0]=4 70 B8R1.7 O=C(O)C1=CSC=N1 HY-59320 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.7 O=C(O)C1=NNC=C1 HY-W002328 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.11 O=CC1=C(Br)C=CS1 HY-W007753 [1,1,0,0,0,0|0,1,0]=3 73 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [1,1,0,0,0,0|0,0,2]=4 74 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [1,1,0,0,0,0|1,0,0]=3 75 B8R1.18 O=C1C=C(Br)C(=O)N1 HY-W076794 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.1 C=CCC1=CC=C(C)C=C1 HY-W074514 [0,1,0,0,0,1|2,0,0]=4 78 B10R1.3 CCC1=CC=C(C=O)C=C1 HY-W012657 [0,1,0,0,0,1|1,0,0]=3 79 B10R1.3 COC1=CC=C(C=O)C=C1 HY-Y0740 [0,1,0,0,0,1|1,0,0]=3 80 B10R1.3 COC1=CC=C(C=O)C=N1 HY-32788 [0,1,0,0,0,1|1,0,0]=3 81 B10R1.3 O=CC1=CC=C(C=O)C=C1 HY-Y0425 [0,1,0,0,0,1|1,0,1]=4 82 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 HY-20436 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 HY-60206 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HY-W012653 [0,1,0,0,0,1|1,0,0]=3 85 B10R1.13 CC(=O)C1=CC=C(F)C=C1 HY-Y0779 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.13 CC(=O)C1=CC=C(N)C=C1 HY-W008818 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.13 CC(=O)C1=CC=C(O)C=C1 HY-Y0073 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.13 CC(=O)C1=CC=C(O)C=C1 HY-Y0073R [0,1,0,0,0,1|2,0,0]=4 89 B10R1.13 CC1=CC=C(C(=O)O)C=C1 HY-76547 [0,1,0,0,0,1|1,0,0]=3 90 B10R1.13 CC1=CC=C(C(N)=S)C=C1 HY-W017393 [0,1,0,0,0,1|1,1,0]=4 91 B10R1.13 CC1=CN=C(C(=O)O)C=N1 HY-32739 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.13 CC1=NC=C(C(=O)O)C=C1 HY-W008333 [0,1,0,0,0,1|1,0,0]=3 93 B10R1.13 CC1=NC=C(C(N)=O)C=C1 HY-W015815 [0,1,0,0,0,1|1,0,0]=3 94 B10R1.13 NC(=O)C1=CC=C(N)C=C1 HY-W017041 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.13 NC(=O)C1=CC=C(N)N=C1 HY-W010342 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.13 NC(=O)C1=CC=C(O)C=C1 HY-W088191 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.13 NC1=CC=C(C(=O)O)C=C1 HY-B1008 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.13 NC1=CC=C(C(=O)O)C=C1 HY-B1008R [0,1,0,0,0,1|2,0,0]=4 99 B10R1.13 NC1=NC=C(C(=O)O)C=C1 HY-W015793 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.13 O=C(O)C1=CC=C(Br)N=C1 HY-W002864 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 HY-41465 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.13 O=C(O)C1=CC=C(F)C=C1 HY-W013677 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.13 O=C(O)C1=CC=C(I)C=C1 HY-W013396 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HY-Y0264 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HY-Y0264R [0,1,0,0,0,1|2,0,0]=4 106 B10R1.13 O=C(O)C1=CC=C(O)N=C1 HY-W001996 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.13 O=C(O)C1=NC=C(I)C=C1 HY-W041657 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.13 O=C1C=CC(C(=O)O)=CO1 HY-32004 [0,1,0,0,0,1|1,0,0]=3 109 B10R1.25 CC1=CC=C(C=O)C(O)=C1 HY-W007888 [0,1,0,0,0,1|1,0,0]=3 110 B10R1.25 O=CC1=C(F)C=C(F)C=C1 HY-W007410 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.25 O=CC1=CC=C(Br)C=C1O HY-W001114 [0,1,0,0,0,1|2,0,0]=4 112 B10R1.25 O=CC1=CC=C(O)C=C1O HY-W007539 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 HY-W007518 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.176 O=CC1=CC=C(O)C(O)=C1 HY-N0295 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.2 CC1=C(O)C(C=O)=CC=C1 HY-W007934 [0,1,0,0,0,1|1,0,0]=3 116 B10R1.8 CC1=CC(C)=CC(C=O)=C1 HY-W002343 [0,1,0,0,0,1|1,0,0]=3 117 B10R1.8 O=CC1=CC(O)=CC(O)=C1 HY-W007416 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.30 O=CC1=CC(Br)=CC=C1F HY-I0561 [0,1,0,0,0,1|2,0,0]=4 119 B10R1.30 O=CC1=CC(F)=CC=C1O HY-W007331 [0,1,0,0,0,1|2,0,0]=4 120 B10R1.30 O=CC1=CC(O)=CC=C1Br HY-W007430 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 HY-W014915 [0,1,0,0,0,1|2,0,0]=4 122 B10R1.113 CC(=O)C1=CC(N)=CC=C1 HY-W012637 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.113 CC(=O)C1=CC=CC(O)=C1 HY-Y0603 [0,1,0,0,0,1|2,0,0]=4 124 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 HY-W002593 [0,1,0,0,0,1|2,0,0]=4 125 B10R1.113 CC1=CC(C(=O)O)=CC=C1 HY-78571 [0,1,0,0,0,1|1,0,0]=3 126 B10R1.113 CC1=CC=CC(C(=O)O)=N1 HY-W002139 [0,1,0,0,0,1|1,0,0]=3 127 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 HY-N0415 [0,1,0,0,0,1|2,0,0]=4 128 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 HY-113527 [0,1,0,0,0,1|2,0,0]=4 129 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 HY-113527R [0,1,0,0,0,1|2,0,0]=4 130 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 HY-W009418 [0,1,0,0,0,1|2,0,0]=4 131 B10R1.113 NC(=O)C1=CC=CC(N)=C1 HY-12022 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.113 NC1=CC(C(=O)O)=CC=C1 HY-I0746 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.113 NC1=CC=CC(C(=O)O)=N1 HY-W002540 [0,1,0,0,0,1|2,0,0]=4 134 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 HY-Y1013 [0,1,0,0,0,1|2,0,0]=4 135 B10R1.113 O=C(O)C1=CC(F)=CC=C1 HY-W015753 [0,1,0,0,0,1|2,0,0]=4 136 B10R1.113 O=C(O)C1=CC(O)=CC=C1 HY-W004049 [0,1,0,0,0,1|2,0,0]=4 137 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 HY-Y0403 [0,1,0,0,0,1|2,0,0]=4 138 B10R1.113 O=C(O)C1=CC=CC(I)=C1 HY-Y0931 [0,1,0,0,0,1|2,0,0]=4 139 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 HY-W002805 [0,1,0,0,0,1|2,0,0]=4 140 B10R1.113 O=C(O)C1=CC=NC(Cl)=C1 HY-65003 [0,1,0,0,0,1|2,0,0]=4 141 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 HY-W004860 [0,1,0,0,0,1|2,0,0]=4 142 B10R1.113 O=C1C=C(C(=O)O)C=CN1 HY-W002765 [0,1,0,0,0,1|2,0,0]=4 143 B10R1.172 COC1=CC(C=O)=CC=C1 HY-W007346 [0,1,0,0,0,1|1,0,0]=3 144 B10R1.31 O=C(O)C1=CC=C(CO)O1 HY-W005241 [0,2,0,0,0,0|0,0,0]=2 145 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 HY-114517 [0,2,0,0,0,0|2,0,0]=4 146 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 HY-W002255 [0,2,0,0,0,0|1,1,0]=4 147 B10R1.58 CC1=CC(C(=O)O)=NN1C HY-W004978 [0,2,0,0,0,0|2,0,0]=4 148 B8R1.3 CC1=CC=C(N)C=N1 HY-66048 [0,0,1,1,0,0|2,0,0]=4 149 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [0,0,1,1,0,0|2,0,0]=4 150 B8R1.5 CC1=NC=CC=C1O HY-W002339 [0,0,1,1,0,0|2,0,0]=4 151 B8R1.5 NC1=C(O)C=CC=N1 HY-W007794 [0,0,1,1,0,0|2,0,0]=4 152 B8R1.5 O=C1C=COC=C1O HY-N1997 [0,0,1,1,0,0|1,0,1]=4 153 B8R1.5 OC1=C(F)C=CC=C1 HY-41755 [0,0,1,1,0,0|1,0,1]=4 154 B8R1.5 OC1=CC=CN=C1Br HY-20026 [0,0,1,1,0,0|2,0,0]=4 155 B8R1.5 OC1=CC=CN=C1Cl HY-32833 [0,0,1,1,0,0|2,0,0]=4