0 B10R1.18 C=C(C)CC1=NC=CC=C1 3662AF [0,0,0,0,0,0|3,0,0]=3 1 B10R1.18 CC(=O)CC1=CN=CC=C1 4586AH [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(O)CC1=CC=CC=N1 5034AE [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 N=C(N)CC1=CN=CC=C1 4101AE [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 N=C(N)NC1=CC=NC=C1 4425AJ [0,0,0,0,0,0|4,0,0]=4 5 B10R1.18 O=C([O-])CC1=NC=CC=C1 0459AC [0,0,0,0,0,0|1,0,1]=2 6 B9R1.8 C#C[I+]C1=CC=CC=C1 7930AL [1,0,0,0,0,0|2,0,1]=4 7 B9R1.8 CNCC1=CN=CC=C1 7435AH [1,0,0,0,0,0|3,0,0]=4 8 B9R1.8 ClC#CC1=CC=CC=C1 0032AQ [1,0,0,0,0,0|1,0,2]=4 9 B9R1.8 ClCCC1=CC=NC=C1 2738AB [1,0,0,0,0,0|2,0,1]=4 10 B9R1.8 ClCCC1=CN=CC=C1 5261AB [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 Cl[Mg]CC1=CC=CC=C1 8408AJ [1,0,0,0,0,0|2,0,0]=3 12 B9R1.8 IC#CC1=CC=CC=C1 0175AQ [1,0,0,0,0,0|1,0,2]=4 13 B9R1.8 NNCC1=CC=CC=N1 4874AC [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 O=C=NC1=CC=NC=C1 Z2906 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 O=CCC1=CC=CN=C1 5877AB [1,0,0,0,0,0|1,0,0]=2 16 B9R1.8 OCCC1=NC=CC=N1 1887AJ [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 OCCC1=NC=NC=C1 0497AC [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 O\N=C/C1=CC=CC=C1 9354AB [1,0,0,0,0,0|1,0,1]=3 19 B11R1.20 C=C(Br)CC1=CC=C(Cl)C=C1 3636AF [0,1,0,0,0,0|2,0,0]=3 20 B11R1.20 CC(N)CC1=CC=C(O)C=C1 2498AL [0,1,0,0,0,0|2,0,1]=4 21 B11R1.36 CC(=O)N(C)C1=NC=CC=C1 1819AL [0,1,0,0,0,0|3,0,0]=4 22 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 8525AL [0,1,0,0,0,0|2,0,0]=3 23 B11R1.36 CC(C)C(C)C1=CC=CC=C1 3972AL [0,1,0,0,0,0|2,0,1]=4 24 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7886 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.36 CC(C1=CC=CC=C1)C(F)F 8474AB [0,1,0,0,0,0|2,0,1]=4 26 B11R1.36 NC(C(=O)O)C1=CC=NC=C1 Z5914 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.36 NC(C(=O)O)C1=NC=CN=C1 7986AC [0,1,0,0,0,0|2,0,0]=3 28 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 8039AF [0,1,0,0,0,0|1,0,0]=2 29 B11R1.40 COC(=O)CC1=CC=CN=C1 7040AJ [0,1,0,0,0,0|1,0,0]=2 30 B11R1.40 COC(=O)CC1=CC=CN=N1 Y1677 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.40 COC(=O)CC1=NC=NC=C1 Y1676 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.40 O=C(CF)CC1=CC=CC=C1 7647AA [0,1,0,0,0,0|1,0,0]=2 33 B11R1.40 O=C(CO)CC1=CC=CC=C1 6761AB [0,1,0,0,0,0|0,0,0]=1 34 B11R1.86 CC(=O)CC1=CC=CC=C1O 5670AA [0,1,0,0,0,0|1,0,0]=2 35 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 8398AE [0,1,0,0,0,0|3,0,0]=4 36 B11R1.86 CC(C)CC1=CC=CC=C1O 5740AB [0,1,0,0,0,0|2,0,1]=4 37 B11R1.86 CC1=CC=CN=C1CC(C)O 9155AE [0,1,0,0,0,0|2,0,1]=4 38 B11R1.86 NC1=C(CC(=O)O)C=CN=C1 3994AC [0,1,0,0,0,0|1,0,0]=2 39 B11R1.86 NC1=C(CC(=O)O)C=NC=C1 4341AA [0,1,0,0,0,0|1,0,0]=2 40 B11R1.86 NC1=CC=CN=C1CC(=O)O 2520AC [0,1,0,0,0,0|1,0,0]=2 41 B11R1.157 CC(=O)CC1=CC=CC(C)=C1 9812AA [0,1,0,0,0,0|1,0,0]=2 42 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 C941 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.157 CC(=O)NC1=NC=CC(I)=C1 3311AC [0,1,0,0,0,0|3,0,0]=4 44 B11R1.157 CN(C)CC1=CC(S)=CC=C1 3501AD [0,1,0,0,0,0|3,0,0]=4 45 B11R1.157 NC1=CC=CC(CC(=O)O)=N1 1884AJ [0,1,0,0,0,0|1,0,0]=2 46 B11R1.157 O=C(O)CC1=CC(S)=CC=C1 9631AB [0,1,0,0,0,0|0,0,0]=1 47 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 4465AB [0,1,0,0,0,0|3,0,0]=4 48 B11R1.509 O=S(=O)(Cl)CC1=NC=CC=C1 7757AB [0,1,0,0,0,0|2,0,1]=4 49 B11R2.10 CC1=NC2=C(C=CN=C2)O1 2351AC [0,0,0,1,0,0|3,0,0]=4 50 B11R2.10 CC1=NC2=CC=CN=C2O1 Y4700 [0,0,0,1,0,0|3,0,0]=4 51 B11R2.10 FC1=NC2=CC=CC=C2S1 Y7071 [0,0,0,1,0,0|2,1,0]=4 52 B11R2.10 IC1=CC2=C(C=CC=C2)S1 7957AJ [0,0,0,1,0,0|1,1,1]=4 53 B11R2.10 IC1=NC2=C(C=CC=C2)N1 1741AJ [0,0,0,1,0,0|3,0,0]=4 54 B11R2.10 NC1=CC2=C(C=CC=C2)N1 X2016 [0,0,0,1,0,0|2,0,1]=4 55 B11R2.10 NC1=NC2=C(C=NC=C2)O1 5017AA [0,0,0,1,0,0|3,0,0]=4 56 B11R2.10 O=C1C=C2C=CC=CN2N1 8937AB [0,0,0,1,0,0|2,0,1]=4 57 B11R2.10 O=C1CC2=C(C=NC=C2)N1 W6869 [0,0,0,1,0,0|2,0,0]=3 58 B11R2.10 O=C1NC2=C(N=CC=C2)O1 3093AA [0,0,0,1,0,0|2,0,0]=3 59 B11R2.10 O=C1NC2=C(N=CC=C2)S1 4991AC [0,0,0,1,0,0|2,1,0]=4 60 B11R2.10 OC1=NN2C=CC=CC2=C1 Y1674 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.6 C=C(F)C1=CC=CC=C1 1021AL [0,0,0,0,1,0|2,0,0]=3 62 B9R1.6 CC(=N)C1=CC=CN=C1 Y6078 [0,0,0,0,1,0|3,0,0]=4 63 B9R1.6 CC(O)C1=CC=NC=C1 W4712 [0,0,0,0,1,0|2,0,1]=4 64 B9R1.6 O=C(O)C1=NC=CN=N1 9945AB [0,0,0,0,1,0|3,0,0]=4 65 B9R1.13 NC(=O)CC1=CSC=N1 4708AE [0,0,0,0,1,0|3,0,0]=4 66 B9R1.13 O=C(O)CC1=CN=CS1 7407AB [0,0,0,0,1,0|2,0,0]=3 67 B9R1.13 O=C(O)CC1=COC=C1 4503AA [0,0,0,0,1,0|1,0,0]=2 68 B9R1.13 O=C(O)CC1=NN=CO1 X3750 [0,0,0,0,1,0|3,0,0]=4 69 B9R1.13 O=C(O)CN1C=CN=N1 3090AA [0,0,0,0,1,0|3,0,0]=4 70 B11R1.91 CC(=N)SCC1=CC=CC=C1 3158AL [0,0,0,0,0,1|2,0,0]=3 71 B11R1.91 CC(=O)SCC1=CC=CN=C1 Z2639 [0,0,0,0,0,1|2,0,0]=3 72 B11R1.91 CC(=O)SCC1=NC=CC=C1 Z3404 [0,0,0,0,0,1|2,0,0]=3 73 B11R1.91 CC(=O)\N=N\C1=CC=CC=C1 3867AD [0,0,0,0,0,1|2,0,0]=3 74 B11R1.91 CC(O)C#CC1=CC=CC=C1 V9883 [0,0,0,0,0,1|1,0,2]=4 75 B11R1.91 N=C(N)NCC1=CC=NC=C1 6320AB [0,0,0,0,0,1|3,0,0]=4 76 B11R1.91 NC(=O)CCC1=CC=CN=C1 5646AJ [0,0,0,0,0,1|2,0,0]=3 77 B11R1.91 NC(=O)CCC1=CC=NC=C1 5669AJ [0,0,0,0,0,1|2,0,0]=3 78 B11R1.91 O=C(O)C#CC1=CC=NC=C1 5670AJ [0,0,0,0,0,1|1,0,1]=3 79 B8R1.2 ClCC1=CC=CC=N1 V2306 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.2 O=CC1=CC=NC=N1 W4791 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.2 OCC1=CC=NC=C1 D932 [2,0,0,0,0,0|1,0,0]=3 82 B8R1.2 OCC1=NC=CC=C1 D931 [2,0,0,0,0,0|1,0,0]=3 83 B10R1.1 C=COC1=CC=C(N)C=C1 7199AC [1,1,0,0,0,0|2,0,0]=4 84 B10R1.1 O=CNC1=CC=C(Br)C=C1 1242AQ [1,1,0,0,0,0|1,0,0]=3 85 B10R1.1 O=CNC1=CC=C(Cl)C=N1 3661AL [1,1,0,0,0,0|2,0,0]=4 86 B10R1.4 C=CCC1=C(Cl)C=CC=C1 7969AA [1,1,0,0,0,0|1,0,0]=3 87 B10R1.4 C=CCC1=C(F)C=CC=C1 5696AE [1,1,0,0,0,0|1,0,0]=3 88 B10R1.4 CC1=CC=CC=C1CC=O 7409AC [1,1,0,0,0,0|0,0,0]=2 89 B10R1.4 NC1=NC=CC=C1CCO 6447AC [1,1,0,0,0,0|1,0,1]=4 90 B10R1.4 NOCC1=CC=CC=C1Br 7199AB [1,1,0,0,0,0|2,0,0]=4 91 B10R1.4 O=CCC1=CC=CC=C1Br X2126 [1,1,0,0,0,0|0,0,0]=2 92 B10R1.4 O=CCC1=CC=CC=C1Cl 5867AB [1,1,0,0,0,0|0,0,0]=2 93 B10R1.10 C=CCC1=CC(O)=CC=C1 5771AJ [1,1,0,0,0,0|1,0,0]=3 94 B10R1.10 C=CCC1=CC=CC(C)=C1 0989AQ [1,1,0,0,0,0|1,0,0]=3 95 B10R1.10 CC1=CC(CC=O)=CC=C1 8853AE [1,1,0,0,0,0|0,0,0]=2 96 B10R1.10 CCCC1=CC(F)=CC=C1 2809AB [1,1,0,0,0,0|1,0,1]=4 97 B10R1.10 N#CCC1=CC(N)=CC=C1 2233AA [1,1,0,0,0,0|1,0,1]=4 98 B10R1.10 NNCC1=CC=CC(O)=C1 W8565 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.10 NOCC1=CC(Br)=CC=C1 7993AA [1,1,0,0,0,0|2,0,0]=4 100 B10R1.10 O=CCC1=CC(Cl)=CC=C1 3014AE [1,1,0,0,0,0|0,0,0]=2 101 B10R1.10 O=CCC1=CC(F)=CC=C1 9224AE [1,1,0,0,0,0|0,0,0]=2 102 B10R1.10 O=CCC1=CC=CC(Br)=C1 Y7020 [1,1,0,0,0,0|0,0,0]=2 103 B10R1.10 O=CCC1=NC(Br)=CC=C1 3706AA [1,1,0,0,0,0|1,0,0]=3 104 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 1195AL [1,1,0,0,0,0|1,0,0]=3 105 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 2803AB [1,1,0,0,0,0|1,0,1]=4 106 B10R1.15 NC(CO)C1=CC=CC=N1 1469AJ [1,1,0,0,0,0|1,0,1]=4 107 B10R1.15 NC(CO)C1=CC=NC=C1 1231AC [1,1,0,0,0,0|1,0,1]=4 108 B10R1.15 NCC(O)C1=CC=CC=C1 3929AE [1,1,0,0,0,0|1,0,1]=4 109 B10R1.15 NC[C@@H](F)C1=CC=CC=C1 0407AQ [1,1,0,0,0,0|1,0,1]=4 110 B10R1.15 O=CC(Br)C1=CC=CC=C1 8662AA [1,1,0,0,0,0|0,0,0]=2 111 B10R1.17 C#CCNC1=CC=CC=C1 6094AD [1,1,0,0,0,0|1,0,1]=4 112 B10R1.17 COCOC1=CC=CC=C1 0189AF [1,1,0,0,0,0|1,0,1]=4 113 B10R1.17 NC\C=C\C1=CC=CC=C1 5624AE [1,1,0,0,0,0|1,0,1]=4 114 B10R1.17 O=C\C=C\C1=CC=NC=C1 7159AL [1,1,0,0,0,0|1,0,1]=4 115 B10R1.17 OC\C=C/C1=CC=NC=C1 5667AJ [1,1,0,0,0,0|1,0,1]=4 116 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 7866AF [0,1,0,0,1,0|1,0,1]=4 117 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 O022 [0,1,0,0,1,0|2,0,0]=4 118 B10R1.13 NC1=CN=C(C(=O)O)C=N1 Y3266 [0,1,0,0,1,0|2,0,0]=4 119 B10R1.13 N[N+]1=CC=C(C(=O)[O-])C=C1 9677AH [0,1,0,0,1,0|1,0,1]=4 120 B10R1.13 O=C(O)C1=NC=C(F)C=N1 3368AA [0,1,0,0,1,0|2,0,0]=4 121 B10R1.61 CC(=O)C1=C(C)C=CN=C1 1844AB [0,1,0,0,1,0|2,0,0]=4 122 B10R1.61 CC(=O)C1=C(F)C=CN=C1 4483AC [0,1,0,0,1,0|2,0,0]=4 123 B10R1.61 CC1=CCC=CC1C(=O)O 0416AQ [0,1,0,0,1,0|0,0,2]=4 124 B10R1.61 N=C(N)C1=CC=CC=C1O Y9154 [0,1,0,0,1,0|2,0,0]=4 125 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 W9002 [0,1,0,0,1,0|2,0,0]=4 126 B10R1.61 NC1=C(C(=O)O)N=NC=C1 0672AB [0,1,0,0,1,0|2,0,0]=4 127 B10R1.61 NC1=CC=NN=C1C(=O)O 2653AJ [0,1,0,0,1,0|2,0,0]=4 128 B10R1.61 NC1=CN=NC=C1C(=O)O 5790AH [0,1,0,0,1,0|2,0,0]=4 129 B10R1.61 O=C(O)C1=C(Cl)N=CN=C1 Y4739 [0,1,0,0,1,0|2,0,0]=4 130 B10R1.61 O=C(O)C1=CC=COC1=O 9602AD [0,1,0,0,1,0|1,0,0]=3 131 B10R1.61 O=C(O)C1=CC=NN=C1Cl X8609 [0,1,0,0,1,0|2,0,0]=4 132 B10R1.61 O=C(O)C1=NC=CC=C1F 5886AJ [0,1,0,0,1,0|1,0,0]=3 133 B10R1.113 CC1=NC(C(=O)O)=NC=C1 Z5358 [0,1,0,0,1,0|2,0,0]=4 134 B10R1.113 N=C(N)C1=CC(O)=CC=C1 7158AE [0,1,0,0,1,0|2,0,0]=4 135 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 2246AJ [0,1,0,0,1,0|2,0,0]=4 136 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 Y8555 [0,1,0,0,1,0|2,0,0]=4 137 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 8289AJ [0,1,0,0,1,0|0,0,0]=2 138 B10R1.113 O=C(O)C1=NC(F)=CN=C1 0752AD [0,1,0,0,1,0|2,0,0]=4 139 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 6183AC [0,1,0,0,1,0|2,0,0]=4 140 B10R1.113 O=C(O)C1=NC=CC(O)=C1 6183AJ [0,1,0,0,1,0|1,0,0]=3 141 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 3821AL [0,1,0,0,1,0|0,0,1]=3 142 B10R1.27 COC(=O)CC1=CNN=C1 4193AJ [0,1,0,0,1,0|2,0,0]=4 143 B10R1.27 N\C(CC1=CSC=C1)=N\O 3749AL [0,1,0,0,1,0|2,0,0]=4 144 B10R1.54 CN1C=CC(CC(=O)O)=N1 9997AC [0,1,0,0,1,0|2,0,0]=4 145 B10R1.54 NC1=CN(CC(=O)O)N=C1 0384AQ [0,1,0,0,1,0|2,0,0]=4 146 B10R1.64 CC1=C(CC(=O)O)SC=N1 6205AJ [0,1,0,0,1,0|2,0,0]=4 147 B10R1.64 CC1=NC=CN1CC(=O)O 8365AD [0,1,0,0,1,0|2,0,0]=4 148 B12R1.21 CC(=O)CCC1=CC=C(Br)C=C1 2246AF [0,1,0,0,0,1|1,0,0]=3 149 B12R1.21 CC(=O)NCC1=CC=C(N)C=C1 N540 [0,1,0,0,0,1|1,0,0]=3 150 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6555AL [0,1,0,0,0,1|0,0,0]=2 151 B12R1.21 O=C(O)COC1=NNC(=O)C=C1 4079AB [0,1,0,0,0,1|2,0,0]=4 152 B12R1.27 COC(=O)C#CC1=CC=CN=C1 6983AJ [0,1,0,0,0,1|1,0,1]=4 153 B12R1.27 COC(=O)C#CC1=CC=NC=C1 6987AJ [0,1,0,0,0,1|1,0,1]=4 154 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 9118AH [0,1,0,0,0,1|1,0,1]=4 155 B12R1.43 CC(CC1=CC=CN=C1)C(=O)O 7425AC [0,1,0,0,0,1|1,0,0]=3 156 B12R1.43 CC(CC1=NC=CC=N1)C(=O)O 1359AH [0,1,0,0,0,1|2,0,0]=4 157 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 1858AE [0,1,0,0,0,1|1,0,0]=3 158 B12R1.107 CC(CC(=O)O)C1=NC=CC=C1 3137AF [0,1,0,0,0,1|1,0,0]=3 159 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z5791 [0,1,0,0,0,1|0,0,0]=2 160 B12R1.107 NC(CC(=O)O)C1=NC=CC=C1 7438AA [0,1,0,0,0,1|1,0,0]=3 161 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 5089AD [0,1,0,0,0,1|1,0,1]=4 162 B12R1.125 C=C(Br)CCC1=CC=CC=C1C 7422AE [0,1,0,0,0,1|2,0,0]=4 163 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 1144AE [0,1,0,0,0,1|1,0,0]=3 164 B12R1.226 CC(=O)\C=C\C1=CC=CC(Br)=C1 V7132 [0,1,0,0,0,1|1,0,1]=4 165 B12R1.226 NC(=O)C=CC1=CC(F)=CC=C1 0635AQ [0,1,0,0,0,1|1,0,1]=4 166 B12R1.226 NC(=O)\C=C\C1=CC(Br)=CC=C1 1108AC [0,1,0,0,0,1|1,0,1]=4 167 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 4042AL [0,1,0,0,0,1|1,0,0]=3 168 B12R1.4 C#CC1=CC=C(NC(C)=O)C=C1 4419AB [0,2,0,0,0,0|2,0,0]=4 169 B12R1.19 NC1=CC=C(CC(=O)O)C=C1I 3795AD [0,2,0,0,0,0|0,0,0]=2 170 B12R1.20 CC(=O)C(Cl)C1=CC=C(F)C=C1 1523AB [0,2,0,0,0,0|1,0,0]=3 171 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 8848AB [0,2,0,0,0,0|0,0,0]=2 172 B12R1.20 NC(=O)C(=O)C1=CC=C(Br)C=C1 0707AC [0,2,0,0,0,0|1,0,1]=4 173 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(I)C=C1 2119AB [0,2,0,0,0,0|0,0,0]=2 174 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 3070AC [0,2,0,0,0,0|0,0,0]=2 175 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Br)C=C1 2744AD [0,2,0,0,0,0|0,0,0]=2 176 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 0174AE [0,2,0,0,0,0|0,0,0]=2 177 B12R1.20 O=C([O-])C(=O)C1=CC=C(O)C=C1 7895AB [0,2,0,0,0,0|0,0,2]=4 178 B12R1.49 C=CC(=O)CC1=CC=C(F)C=C1 3435AC [0,2,0,0,0,0|1,0,0]=3 179 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 5335AD [0,2,0,0,0,0|2,0,0]=4 180 B12R1.49 CNC(=O)NC1=CC=C(O)C=C1 5000AB [0,2,0,0,0,0|2,0,0]=4 181 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 4252AB [0,2,0,0,0,0|1,0,1]=4 182 B12R1.49 N[C@@H](CO)CC1=CC=C(I)C=C1 0762AB [0,2,0,0,0,0|1,0,1]=4 183 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 3730AB [0,2,0,0,0,0|2,0,0]=4 184 B12R1.106 CC1=CC=C(CS(N)(=O)=O)C=C1 7376AE [0,2,0,0,0,0|1,0,1]=4 185 B12R1.233 CC(=O)NC1=C(C)C=C(N)C=C1 0120AD [0,2,0,0,0,0|2,0,0]=4 186 B12R1.233 NC1=CC(N)=C(CC(=O)O)C=C1 2440AC [0,2,0,0,0,0|0,0,0]=2 187 B12R1.34 NC(C(=O)NO)C1=CC=CC=C1 8279AC [0,2,0,0,0,0|0,0,0]=2 188 B12R1.124 CC(=O)C(=O)C1=C(Cl)C=CC=C1 9878AB [0,2,0,0,0,0|1,0,1]=4 189 B12R1.124 O=C(O)C(=O)C1=CC=CC=C1Br Z4523 [0,2,0,0,0,0|0,0,1]=3 190 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 8975AH [0,2,0,0,0,0|0,0,0]=2 191 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 5418AJ [0,2,0,0,0,0|0,0,0]=2 192 B12R1.225 O=C(O)[C@@H](O)C1=CC(Cl)=CC=C1 3581AB [0,2,0,0,0,0|0,0,0]=2 193 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=N1 7763AC [0,2,0,0,0,0|1,0,0]=3 194 B12R1.253 CC(C)(C(=O)O)C1=CC=CN=C1 5455AD [0,2,0,0,0,0|1,0,0]=3 195 B12R1.478 NC(=O)C(CO)C1=CC=CC=C1 9779AF [0,2,0,0,0,0|1,0,0]=3 196 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 1587AA [0,2,0,0,0,0|0,0,0]=2 197 B12R1.564 C=C(C1=CC=CC=C1)P(=O)(O)O 3577AB [0,2,0,0,0,0|1,0,1]=4 198 B12R1.32 CCOC(=O)CC1=CN=CN=C1 9335AB [0,2,0,0,0,0|2,0,0]=4 199 B12R1.32 N#CCC(=O)CC1=CC=CC=C1 2472AL [0,2,0,0,0,0|1,0,0]=3 200 B12R1.32 NCCC(=O)NC1=CC=CC=C1 2153AJ [0,2,0,0,0,0|2,0,0]=4 201 B12R1.50 CC1=CC(NC(=O)CBr)=CC=C1 5317AE [0,2,0,0,0,0|2,0,0]=4 202 B12R1.50 COC(=O)CC1=CC(Br)=CN=C1 3071AA [0,2,0,0,0,0|1,0,0]=3 203 B12R1.50 COC(=O)CC1=CC=CC(C)=N1 8677AB [0,2,0,0,0,0|1,0,0]=3 204 B12R1.50 COC(=O)CC1=NC=CC(Cl)=C1 4198AJ [0,2,0,0,0,0|1,0,0]=3 205 B12R1.50 COC(=O)CC1=NC=CC(Cl)=C1 8768AH [0,2,0,0,0,0|1,0,0]=3 206 B12R1.50 O=C(CBr)CC1=CC=CC(Br)=C1 0631AB [0,2,0,0,0,0|1,0,0]=3 207 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 8264AE [0,2,0,0,0,0|2,0,0]=4 208 B12R1.371 O=C(CS)NC1=CC=CC=C1Cl 5539AD [0,2,0,0,0,0|1,1,0]=4 209 B12R1.75 CSC1=C(NC(C)=O)C=CC=C1 3877AH [0,2,0,0,0,0|2,0,0]=4 210 B12R1.75 O=CC1=C(CC(=O)O)C=CC=C1 3091AH [0,2,0,0,0,0|0,0,0]=2 211 B12R1.127 CC(=O)NC1=C(Br)C=CC(Br)=C1 3615AL [0,2,0,0,0,0|2,0,0]=4 212 B12R1.127 CC(=O)NC1=CC(N)=CC=C1O 7882AD [0,2,0,0,0,0|2,0,0]=4 213 B12R1.224 CC(=O)NC1=CC=CC(C)=C1Cl 3621AL [0,2,0,0,0,0|2,0,0]=4 214 B12R1.224 CC(=O)NC1=CC=CC(Cl)=C1Cl 3612AL [0,2,0,0,0,0|2,0,0]=4 215 B12R1.224 CC1=C(Cl)C=CC=C1NC(N)=O W9844 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.101 CC(=O)NC1=CC(Cl)=CC(Cl)=C1 3632AL [0,2,0,0,0,0|2,0,0]=4 217 B12R1.101 O=C(O)CC1=CC(=O)NC(=O)N1 7654AF [0,2,0,0,0,0|2,0,0]=4 218 B12R1.119 O=P(O)(O)CC1=CC(Br)=CC=C1 1093AQ [0,2,0,0,0,0|1,0,0]=3 219 B12R1.438 C=C(C)CC1=CC(OC)=CC=C1 8104AE [0,2,0,0,0,0|2,0,0]=4 220 B12R1.438 COC1=CC(CC(=O)O)=CC=N1 6367AB [0,2,0,0,0,0|1,0,0]=3 221 B10R2.7 C1=CC2=C(C=N1)OC=C2 Y5330 [1,0,0,1,0,0|1,0,1]=4 222 B10R2.7 C1=CC=C2SCOC2=C1 2605AB [1,0,0,1,0,0|1,0,1]=4 223 B12R2.24 O=C1CNC2=C(C=CC=N2)N1 9842AH [0,0,0,1,0,1|2,0,0]=4 224 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 K945 [0,0,0,1,0,1|0,0,0]=2 225 B12R2.606 CC1=CC2=C(C=C1)N=C(N)O2 9805AA [0,1,0,1,0,0|2,0,0]=4 226 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 7686AB [0,1,0,1,0,0|1,1,0]=4 227 B12R2.606 CC1=CC2=CC(Br)=CC=C2O1 X5314 [0,1,0,1,0,0|1,0,1]=4 228 B12R2.606 CC1=CC2=CC(O)=CC=C2O1 0430AC [0,1,0,1,0,0|1,0,1]=4 229 B12R2.606 CC1=CC=C2SC(=O)NC2=C1 5589AB [0,1,0,1,0,0|1,1,0]=4 230 B12R2.606 CC1=CN=C2CC(=O)NC2=C1 X9359 [0,1,0,1,0,0|2,0,0]=4 231 B12R2.606 NC1=CC2=C(C=C1)CC(=O)C2 2877AL [0,1,0,1,0,0|1,0,0]=3 232 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 X6110 [0,1,0,1,0,0|1,0,0]=3 233 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 4591AC [0,1,0,1,0,0|2,0,0]=4 234 B12R2.606 O=C1CC2=C(C=CC(F)=N2)N1 4590AC [0,1,0,1,0,0|2,0,0]=4 235 B12R2.606 O=C1CC2=CC(I)=CN=C2N1 2622AA [0,1,0,1,0,0|2,0,0]=4 236 B12R2.606 O=C1NC2=C(C=CC(F)=C2)S1 1444AA [0,1,0,1,0,0|1,1,0]=4 237 B12R2.18 NC1CC2=CC=CC=C2C1O 3933AD [0,1,0,1,0,0|1,0,1]=4 238 B12R2.18 O=C1C2=C(C=CC=C2)CC1Br 9317AA [0,1,0,1,0,0|1,0,1]=4 239 B12R2.18 O=C1OC2=CC=CC=C2C1Br 0372AQ [0,1,0,1,0,0|0,0,0]=2 240 B12R2.27 O=CC1CC1C2=CC=CC=C2 0304AC [0,1,0,1,0,0|1,0,1]=4 241 B12R2.95 CC1(C)CC2=CC=CC=C2O1 7130AE [0,1,0,1,0,0|1,0,1]=4 242 B12R2.202 CC1=C2N=C(S)OC2=CC=C1 3743AF [0,1,0,1,0,0|1,1,0]=4 243 B12R2.202 CC1=C2NC(=O)SC2=CC=C1 1411AC [0,1,0,1,0,0|1,1,0]=4 244 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 2682AC [0,1,0,1,0,0|1,0,0]=3 245 B12R2.202 NC1=NC2=C(C=CC=C2Cl)O1 9811AB [0,1,0,1,0,0|2,0,0]=4 246 B12R2.202 O=C1CC2=C(I)C=CC=C2N1 9414AA [0,1,0,1,0,0|1,0,0]=3 247 B12R2.202 O=C1NC2=C(C=CC=C2Br)S1 1412AC [0,1,0,1,0,0|1,1,0]=4 248 B12R2.202 O=C1NC2=C(N1)C(O)=CC=C2 2826AJ [0,1,0,1,0,0|2,0,0]=4 249 B12R2.202 OC1=CC=CC2=C1NC(=S)O2 6181AJ [0,1,0,1,0,0|1,1,0]=4 250 B12R2.202 SC1=NC2=CC=CC(Cl)=C2O1 4770AE [0,1,0,1,0,0|1,1,0]=4 251 B8R1.8 O=CCN1C=CC=N1 6960AC [1,0,0,0,1,0|2,0,0]=4 252 B8R1.7 O=C(O)C1=CSC=N1 2475AE [0,0,0,0,2,0|2,0,0]=4 253 B8R1.7 O=C(O)N1C=CC=C1 Z3516 [0,0,0,0,2,0|1,0,0]=3 254 B8R1.7 O=C([O-])C1=CC=CO1 7350AF [0,0,0,0,2,0|1,0,1]=4 255 B8R1.7 O=C([O-])C1=CC=CO1 7351AF [0,0,0,0,2,0|1,0,1]=4 256 B12R1.252 CC(C)=CCSC1=CC=CC=C1 1107AL [0,0,0,0,0,2|2,0,0]=4 257 B12R1.252 NC(=O)N\N=C\C1=CC=CC=C1 4949AD [0,0,0,0,0,2|1,0,1]=4