0 B8R1.7 CC(=O)C1=CC=CN1 20915 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.7 CC(=O)C1=CC=CO1 6939 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.7 CC(=O)C1=CC=CS1 5172 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.7 CC(=O)C1=CNC=C1 22508 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.7 CC(=O)C1=CNC=N1 12484 [0,0,0,0,0,0|1,0,1]=2 5 B8R1.7 CC(=O)C1=CNN=C1 30409 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 CC(=O)C1=CSC=C1 5220 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.7 CC(=O)C1=NC=CO1 23008 [0,0,0,0,0,0|1,0,1]=2 8 B8R1.7 CC(=O)C1=NC=CS1 9940 [0,0,0,0,0,0|1,0,1]=2 9 B8R1.7 CC(=O)N1C=CC=N1 13397 [0,0,0,0,0,0|1,0,1]=2 10 B8R1.7 CC(=O)N1C=CN=C1 25826 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.7 CC(C)=C1C=CC=C1 35011 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.7 CC(C)C1=NC=CN1 15977 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.7 CC(C)C1=NNC=C1 11026 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.7 CC(O)[C-]1C=CC=C1 35557 [0,0,0,0,0,0|1,0,3]=4 15 B8R1.7 N=C(N)n1cccn1 23612 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.7 NC(=O)C1=NNC=C1 14330 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.7 NC(=O)C1=NNC=N1 26028 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.7 NC(=S)C1=CC=CS1 32072 [0,0,0,0,0,0|2,1,0]=3 19 B8R1.7 O=C(Cl)C1=CC=CO1 19997 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.7 O=C(Cl)C1=CC=CS1 5166 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.7 O=C(Cl)C1=CSC=C1 5597 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.7 O=C(O)C1=CC=CN1 15698 [0,0,0,0,0,0|1,0,0]=1 23 B8R1.7 O=C(O)C1=CC=CO1 6946 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.7 O=C(O)C1=CC=CS1 5157 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.7 O=C(O)C1=CC=NN1 12935 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.7 O=C(O)C1=CC=NN1 35926 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.7 O=C(O)C1=CC=NO1 8643 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.7 O=C(O)C1=CC=NS1 30427 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.7 O=C(O)C1=CN=CN1 9003 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.7 O=C(O)C1=CN=CS1 14533 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.7 O=C(O)C1=CNC=C1 8345 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.7 O=C(O)C1=CNN=C1 13293 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.7 O=C(O)C1=CNN=N1 13727 [0,0,0,0,0,0|3,0,1]=4 34 B8R1.7 O=C(O)C1=COC=C1 6945 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.7 O=C(O)C1=COC=N1 11025 [0,0,0,0,0,0|2,0,1]=3 36 B8R1.7 O=C(O)C1=CON=C1 8775 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.7 O=C(O)C1=CSC=C1 7735 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.7 O=C(O)C1=CSC=N1 35764 [0,0,0,0,0,0|2,0,1]=3 39 B8R1.7 O=C(O)C1=NC=CN1 25373 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.7 O=C(O)C1=NC=CS1 16257 [0,0,0,0,0,0|2,0,1]=3 41 B8R1.7 O=C(O)C1=NN=CS1 18394 [0,0,0,0,0,0|3,0,1]=4 42 B8R1.7 O=C(O)C1=NOC=C1 12341 [0,0,0,0,0,0|2,0,1]=3 43 B8R1.7 O=C(O)C1=NSC=C1 22100 [0,0,0,0,0,0|2,0,1]=3 44 B8R1.7 O=C(O)[C-]1C=CC=C1 10724 [0,0,0,0,0,0|2,0,1]=3 45 B8R1.7 O=C(O)[C@@H]1C=CCN1 13924 [0,0,0,0,0,0|1,0,2]=3 46 B8R1.7 O=C([O-])C1=CC=CS1 32366 [0,0,0,0,0,0|2,0,0]=2 47 B8R1.7 O=[N+]([O-])C1=CC=CS1 5570 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.7 O=[N+]([O-])C1=CC=NN1 8639 [0,0,0,0,0,0|3,0,0]=3 49 B8R1.7 O=[N+]([O-])C1=CNC=C1 22365 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.7 O=[N+]([O-])C1=CNC=N1 7615 [0,0,0,0,0,0|3,0,1]=4 51 B8R1.7 O=[N+]([O-])C1=NC=CN1 7616 [0,0,0,0,0,0|3,0,0]=3 52 B8R1.7 OB(O)C1=CC=CO1 2182 [0,0,0,0,0,0|3,0,1]=4 53 B8R1.7 OB(O)C1=CC=CS1 1883 [0,0,0,0,0,0|3,0,1]=4 54 B8R1.7 OB(O)C1=CC=C[Se]1 17394 [0,0,0,0,0,0|3,0,1]=4 55 B8R1.7 OB(O)C1=NC=CN1 15788 [0,0,0,0,0,0|3,0,1]=4 56 B8R1.7 OB(O)C1=NC=CN1 7878 [0,0,0,0,0,0|3,0,1]=4 57 B8R1.7 S=C(S)C1=CNC=N1 9018 [0,0,0,0,0,0|2,1,1]=4 58 B7R1.1 C#CC1=CC=CS1 16123 [1,0,0,0,0,0|1,0,2]=4 59 B7R1.1 CCC1=CC=CS1 5536 [1,0,0,0,0,0|1,0,1]=3 60 B7R1.1 CCC1=NC=CN1 15972 [1,0,0,0,0,0|1,0,1]=3 61 B7R1.1 CCN1C=CC=C1 35829 [1,0,0,0,0,0|2,0,1]=4 62 B7R1.1 CNC1=CC=NN1 7850 [1,0,0,0,0,0|2,0,0]=3 63 B7R1.1 CNC1=NC=CS1 23919 [1,0,0,0,0,0|2,0,1]=4 64 B7R1.1 COC1=CC=CO1 19998 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.1 COC1=CC=CS1 12545 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.1 COC1=CSC=C1 8863 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.1 CSC1=CNC=N1 14136 [1,0,0,0,0,0|2,0,1]=4 68 B7R1.1 CSC1=NC=CO1 24606 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.1 N#CC1=CC=CO1 6961 [1,0,0,0,0,0|2,0,1]=4 70 B7R1.1 N#CC1=CC=CS1 5215 [1,0,0,0,0,0|2,0,1]=4 71 B7R1.1 NCC1=CC=CO1 6967 [1,0,0,0,0,0|2,0,1]=4 72 B7R1.1 NCC1=CC=CS1 22278 [1,0,0,0,0,0|2,0,1]=4 73 B7R1.1 NCC1=CC=CS1 5606 [1,0,0,0,0,0|2,0,1]=4 74 B7R1.1 NCC1=CC=NN1 14846 [1,0,0,0,0,0|2,0,1]=4 75 B7R1.1 NCC1=NC=CN1 15933 [1,0,0,0,0,0|2,0,1]=4 76 B7R1.1 NCC1=NC=CN1 16027 [1,0,0,0,0,0|2,0,1]=4 77 B7R1.1 NCC1=NC=CN1 16028 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.1 NNC1=NC=CN1 35367 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.1 O=CC1=CC=CN1 28928 [1,0,0,0,0,0|0,0,0]=1 80 B7R1.1 O=CC1=CC=CN1 9140 [1,0,0,0,0,0|0,0,0]=1 81 B7R1.1 O=CC1=CC=CO1 24739 [1,0,0,0,0,0|1,0,0]=2 82 B7R1.1 O=CC1=CC=CS1 5153 [1,0,0,0,0,0|1,0,0]=2 83 B7R1.1 O=CC1=CN=CS1 14219 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.1 O=CC1=CNC=C1 18051 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.1 O=CC1=CNC=N1 8980 [1,0,0,0,0,0|1,0,1]=3 86 B7R1.1 O=CC1=CNN=C1 23658 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.1 O=CC1=CNN=C1 36037 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.1 O=CC1=CNN=C1 36038 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.1 O=CC1=COC=C1 6948 [1,0,0,0,0,0|2,0,0]=3 90 B7R1.1 O=CC1=CSC=C1 5176 [1,0,0,0,0,0|2,0,0]=3 91 B7R1.1 O=CC1=CSC=N1 13812 [1,0,0,0,0,0|1,0,1]=3 92 B7R1.1 O=CC1=NC=CN1 8045 [1,0,0,0,0,0|1,0,0]=2 93 B7R1.1 O=CC1=NC=CO1 17600 [1,0,0,0,0,0|1,0,1]=3 94 B7R1.1 O=CC1=NC=CS1 9929 [1,0,0,0,0,0|1,0,1]=3 95 B7R1.1 O=CC1=NNC=C1 14337 [1,0,0,0,0,0|1,0,1]=3 96 B7R1.1 O=CC1=NOC=C1 14352 [1,0,0,0,0,0|1,0,1]=3 97 B7R1.1 O=C[C-]1C=CC=C1 18830 [1,0,0,0,0,0|1,0,1]=3 98 B7R1.1 OCC1=CC=CO1 19996 [1,0,0,0,0,0|1,0,2]=4 99 B7R1.1 OCC1=CC=CS1 5603 [1,0,0,0,0,0|1,0,2]=4 100 B7R1.1 SCC1=CC=CO1 10566 [1,0,0,0,0,0|1,1,1]=4 101 B9R1.11 CCC(=O)C1=CC=CS1 12618 [0,1,0,0,0,0|1,0,0]=2 102 B9R1.11 CNC(C)C1=CC=CN1 16635 [0,1,0,0,0,0|1,0,1]=3 103 B9R1.11 COC(=O)C1=CC=CN1 9141 [0,1,0,0,0,0|0,0,0]=1 104 B9R1.11 COC(=O)C1=CC=CO1 7090 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.11 COC(=O)C1=CC=CS1 19955 [0,1,0,0,0,0|1,0,0]=2 106 B9R1.11 COC(=O)C1=CCCC1 2487 [0,1,0,0,0,0|1,0,2]=4 107 B9R1.11 COC(=O)C1=CN=CS1 17249 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.11 COC(=O)C1=CNC=C1 22507 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.11 COC(=O)C1=CNC=N1 16142 [0,1,0,0,0,0|1,0,1]=3 110 B9R1.11 COC(=O)C1=CNN=N1 19241 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.11 COC(=O)C1=CSC=N1 15784 [0,1,0,0,0,0|1,0,1]=3 112 B9R1.11 COC(=O)C1=NC=CN1 23680 [0,1,0,0,0,0|1,0,0]=2 113 B9R1.11 COC(=O)C1=NN=CN1 26175 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.11 COC(=O)C1=NNC=C1 14332 [0,1,0,0,0,0|1,0,1]=3 115 B9R1.11 NNC(=O)C1=CC=CO1 32208 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.11 NNC(=O)C1=CC=CS1 5213 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.11 O=C(CBr)C1=CC=CS1 10129 [0,1,0,0,0,0|1,0,0]=2 118 B9R1.19 CC(C)(C)C1=CC=CC1 35005 [0,1,0,0,0,0|2,0,1]=4 119 B9R1.19 CC(C)(C)C1=CC=CS1 9596 [0,1,0,0,0,0|2,0,1]=4 120 B9R1.19 NS(=O)(=O)C1=CC=CS1 12992 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 7737 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.35 CC(=O)C1=CC(C)=CS1 5214 [0,1,0,0,0,0|1,0,0]=2 123 B9R1.35 CC(=O)C1=CC(C)=NO1 24234 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.35 CC(=O)C1=CC(Cl)=CS1 44706 [0,1,0,0,0,0|1,0,0]=2 125 B9R1.35 CC(=O)C1=CC=C(Br)S1 5219 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.35 CC(=O)C1=CC=C(C)O1 6971 [0,1,0,0,0,0|1,0,0]=2 127 B9R1.35 CC(=O)C1=CC=C(C)S1 5212 [0,1,0,0,0,0|1,0,0]=2 128 B9R1.35 CC(=O)C1=CC=C(Cl)S1 2614 [0,1,0,0,0,0|1,0,0]=2 129 B9R1.35 CC(=O)C1=CSC(Cl)=C1 24099 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.35 CC1=CC(C(=O)O)=NO1 15552 [0,1,0,0,0,0|2,0,1]=4 131 B9R1.35 CC1=CC=C(C(=O)O)S1 5206 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.35 CC1=CN=C(C(=O)O)S1 23003 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.35 CC1=CNC(C(=O)O)=C1 13375 [0,1,0,0,0,0|1,0,0]=2 134 B9R1.35 CC1=CSC(C(=O)O)=C1 9431 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.35 CC1=NC=C(C(=O)O)S1 22287 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.35 CC1=NC=C([N+](=O)[O-])N1 15969 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.35 CC1=NNC(C(=O)O)=C1 7842 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.35 CN1C=CC(C(=O)O)=C1 25790 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.35 CN1C=CC(C(N)=O)=N1 24146 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.35 CN1C=NC(C(=O)O)=C1 9001 [0,1,0,0,0,0|2,0,1]=4 141 B9R1.35 NC(=O)C1=CC=C(Br)N1 24946 [0,1,0,0,0,0|1,0,0]=2 142 B9R1.35 NC(=O)C1=CN=C(Br)S1 34305 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.35 NC1=NC(C(=O)O)=CO1 19787 [0,1,0,0,0,0|2,0,1]=4 144 B9R1.35 NC1=NC(C(=O)O)=CS1 8903 [0,1,0,0,0,0|2,0,1]=4 145 B9R1.35 NC1=NC(C(=O)O)=CS1 9934 [0,1,0,0,0,0|2,0,1]=4 146 B9R1.35 NC1=NC=C(C(=O)O)S1 21384 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 10452 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 16132 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.35 O=C(O)C1=CC(Br)=CS1 5189 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.35 O=C(O)C1=CC(Br)=NO1 17690 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.35 O=C(O)C1=CC(O)=NO1 24875 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.35 O=C(O)C1=CC=C(Br)S1 7368 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.35 O=C(O)C1=CC=C(Cl)O1 31597 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.35 O=C(O)C1=CC=C(Cl)S1 7380 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.35 O=C(O)C1=CN=C(Br)S1 15963 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.35 O=C(O)C1=CN=C(Cl)S1 32212 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.35 O=C(O)C1=CSC(Br)=N1 22900 [0,1,0,0,0,0|2,0,1]=4 158 B9R1.35 O=C(O)C1=NNC(Cl)=C1 23727 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.35 O=[N+]([O-])C1=CC=C(Br)S1 5283 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.35 O=[N+]([O-])C1=NC(Br)=CN1 9445 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.41 CC(=O)C1=C(Br)C=CS1 7280 [0,1,0,0,0,0|1,0,0]=2 162 B9R1.41 CC(=O)C1=C(C)C=CS1 5186 [0,1,0,0,0,0|1,0,0]=2 163 B9R1.41 CC(=O)C1=C(C)N=CS1 33350 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.41 CC(=O)C1=C(I)C=CS1 34469 [0,1,0,0,0,0|1,0,0]=2 165 B9R1.41 CC(=O)C1=C(N)C=CS1 20830 [0,1,0,0,0,0|1,0,0]=2 166 B9R1.41 CC(=O)C1=CC=CN1C 27052 [0,1,0,0,0,0|0,0,0]=1 167 B9R1.41 CC(=O)C1=CC=NN1C 22711 [0,1,0,0,0,0|1,0,0]=2 168 B9R1.41 CC(=O)C1=CNC=C1C 22818 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.41 CC(=O)N1CC=CC1=O 18628 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.41 CC1=C(C(=O)Cl)SC=C1 5561 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.41 CC1=C(C(=O)O)SC=C1 5182 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.41 CC1=C(C(=O)O)SC=N1 8416 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.41 CC1=C(C(N)=O)SC=C1 16135 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.41 CC1=CNN=C1C(=O)O 19201 [0,1,0,0,0,0|2,0,1]=4 175 B9R1.41 CC1=CSC=C1C(=O)O 24253 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.41 CN1C=CC=C1B(O)O 23534 [0,1,0,0,0,0|2,0,1]=4 177 B9R1.41 CN1C=CC=C1C(=O)O 9181 [0,1,0,0,0,0|1,0,0]=2 178 B9R1.41 CN1C=CN=C1C(=O)O 8048 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.41 CN1C=CN=C1[N+](=O)[O-] 23736 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.41 CN1C=NC=C1C(=O)O 20954 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.41 CN1N=CC=C1C(=O)O 16306 [0,1,0,0,0,0|2,0,0]=3 182 B9R1.41 CN1N=NC=C1C(=O)O 34499 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.41 NC(=O)C1=C(Br)C=CS1 16136 [0,1,0,0,0,0|2,0,0]=3 184 B9R1.41 NC(=O)C1=C(N)C=CS1 5242 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.41 NC(=O)C1=C(N)N=CN1 26011 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.41 NC(=O)C1=C(N)NC=N1 14475 [0,1,0,0,0,0|2,0,1]=4 187 B9R1.41 NC(=O)C1=C(N)NC=N1 9129 [0,1,0,0,0,0|2,0,1]=4 188 B9R1.41 NC(=O)C1=C(N)OC=N1 14695 [0,1,0,0,0,0|2,0,1]=4 189 B9R1.41 NC(=O)C1=C(N)SC=N1 25297 [0,1,0,0,0,0|2,0,1]=4 190 B9R1.41 NC(=O)C1=C(O)NC=N1 13970 [0,1,0,0,0,0|2,0,1]=4 191 B9R1.41 NC(=O)C1=CC=CN1N 22288 [0,1,0,0,0,0|1,0,0]=2 192 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 5480 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.41 O=C(O)C1=C(Br)C=CS1 10096 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.41 O=C(O)C1=C(Br)SC=C1 32434 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.41 O=C(O)C1=C(Br)SC=N1 8916 [0,1,0,0,0,0|2,0,1]=4 196 B9R1.41 O=C(O)C1=C(Cl)C=CS1 5491 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.41 O=C(O)C1=C(Cl)SC=C1 32436 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.41 O=C(O)C1=CSC=C1Br 33364 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.41 O=[N+]([O-])C1=C(Br)C=CS1 15352 [0,1,0,0,0,0|3,0,0]=4 200 B7R0.4 C=CCNCC(=O)O 22903 [0,0,1,0,0,0|1,0,2]=4 201 B7R0.4 CC(=O)O\C=C\CBr 28187 [0,0,1,0,0,0|2,0,1]=4 202 B7R0.4 CCC\C=C\C(C)=O 18920 [0,0,1,0,0,0|1,0,2]=4 203 B7R0.4 C\C=C\C=C\C(=O)[O-] 26113 [0,0,1,0,0,0|2,0,0]=3 204 B7R0.5 C=CC[C@@H](N)C(=O)O 29739 [0,0,1,0,0,0|1,0,2]=4 205 B7R0.5 C=CC[C@H](N)C(=O)O 29738 [0,0,1,0,0,0|1,0,2]=4 206 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [0,0,0,0,0,1|0,0,1]=2 207 B9R1.6 CC(=O)C1=CC=CN=N1 16091 [0,0,0,0,0,1|0,0,1]=2 208 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [0,0,0,0,0,1|1,0,0]=2 209 B9R1.6 CC(=O)C1=CN=CN=C1 13185 [0,0,0,0,0,1|1,0,1]=3 210 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [0,0,0,0,0,1|0,0,1]=2 211 B9R1.6 CC(=O)C1=NC=CC=N1 19777 [0,0,0,0,0,1|0,0,1]=2 212 B9R1.6 CC(=O)C1=NC=CN=C1 8542 [0,0,0,0,0,1|0,0,1]=2 213 B9R1.6 CC(=O)C1=NC=NC=C1 33412 [0,0,0,0,0,1|0,0,1]=2 214 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [0,0,0,0,0,1|2,0,1]=4 215 B9R1.6 CC(N)C1=CC=CC=C1 21079 [0,0,0,0,0,1|2,0,1]=4 216 B9R1.6 CN(C)C1=CC=NC=C1 2377 [0,0,0,0,0,1|3,0,0]=4 217 B9R1.6 CN(C)C1=NC=CC=C1 14996 [0,0,0,0,0,1|2,0,1]=4 218 B9R1.6 CP(C)C1=CC=CC=C1 6420 [0,0,0,0,0,1|3,0,0]=4 219 B9R1.6 C[C@@H](N)c1ccccc1 6026 [0,0,0,0,0,1|2,0,1]=4 220 B9R1.6 C[C@@H](N)c1ccccc1 6060 [0,0,0,0,0,1|2,0,1]=4 221 B9R1.6 C[C@@H](N)c1ccccc1 9918 [0,0,0,0,0,1|2,0,1]=4 222 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [0,0,0,0,0,1|0,0,3]=4 223 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [0,0,0,0,0,1|0,0,3]=4 224 B9R1.6 C[C@@H](O)c1ccccc1 6851 [0,0,0,0,0,1|1,0,2]=4 225 B9R1.6 C[C@H](N)c1ccccc1 6025 [0,0,0,0,0,1|2,0,1]=4 226 B9R1.6 C[C@H](N)c1ccccc1 6061 [0,0,0,0,0,1|2,0,1]=4 227 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [0,0,0,0,0,1|0,0,3]=4 228 B9R1.6 C[C@H](O)c1ccccc1 6858 [0,0,0,0,0,1|1,0,2]=4 229 B9R1.6 N=C(N)C1=CC=CN=C1 17590 [0,0,0,0,0,1|2,0,1]=4 230 B9R1.6 N=C(N)C1=CC=C[NH+]=C1 16743 [0,0,0,0,0,1|2,0,1]=4 231 B9R1.6 N=C(N)C1=CC=NC=C1 17463 [0,0,0,0,0,1|3,0,0]=4 232 B9R1.6 N=C(N)C1=NC=CC=C1 20227 [0,0,0,0,0,1|2,0,1]=4 233 B9R1.6 N=C(N)C1=NC=CN=C1 8599 [0,0,0,0,0,1|2,0,1]=4 234 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [0,0,0,0,0,1|2,0,0]=3 235 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [0,0,0,0,0,1|2,1,0]=4 236 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [0,0,0,0,0,1|2,1,0]=4 237 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [0,0,0,0,0,1|2,0,0]=3 238 B9R1.6 O=C(Cl)C1=CC=NC=C1 23974 [0,0,0,0,0,1|2,0,0]=3 239 B9R1.6 O=C(Cl)C1=CN=CC=C1 15186 [0,0,0,0,0,1|1,0,1]=3 240 B9R1.6 O=C(Cl)C1=CN=CN=C1 25063 [0,0,0,0,0,1|2,0,1]=4 241 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [0,0,0,0,0,1|1,0,1]=3 242 B9R1.6 O=C(Cl)C1=NC=NC=C1 15402 [0,0,0,0,0,1|1,0,1]=3 243 B9R1.6 O=C(O)C1=CC=CN=N1 22109 [0,0,0,0,0,1|1,0,1]=3 244 B9R1.6 O=C(O)C1=CC=NC=C1 2595 [0,0,0,0,0,1|2,0,0]=3 245 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [0,0,0,0,0,1|1,0,1]=3 246 B9R1.6 O=C(O)C1=CN=CN=C1 2056 [0,0,0,0,0,1|2,0,1]=4 247 B9R1.6 O=C(O)C1=CN=NC=C1 9501 [0,0,0,0,0,1|2,0,1]=4 248 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [0,0,0,0,0,1|1,0,1]=3 249 B9R1.6 O=C(O)C1=NC=CC=N1 9603 [0,0,0,0,0,1|1,0,1]=3 250 B9R1.6 O=C(O)C1=NC=CN=C1 8602 [0,0,0,0,0,1|1,0,1]=3 251 B9R1.6 O=C(O)C1=NC=NC=C1 5297 [0,0,0,0,0,1|1,0,1]=3 252 B9R1.6 O=C(O)[C@@H]1CC=CCN1 22632 [0,0,0,0,0,1|1,0,2]=4 253 B9R1.6 O=C(O)[C@@H]1CC=CCN1 22633 [0,0,0,0,0,1|1,0,2]=4 254 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [0,0,0,0,0,1|1,0,1]=3 255 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 6646 [0,0,0,0,0,1|2,0,1]=4 256 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [0,0,0,0,0,1|2,0,1]=4 257 B9R1.13 CC(=O)NC1=CC=CS1 5216 [0,0,0,0,0,1|1,0,0]=2 258 B9R1.13 CC(=O)NC1=NC=CS1 35618 [0,0,0,0,0,1|1,0,1]=3 259 B9R1.13 CC(N)CC1=CC=CS1 24782 [0,0,0,0,0,1|2,0,1]=4 260 B9R1.13 O=C(Cl)CC1=CC=CS1 5578 [0,0,0,0,0,1|2,0,0]=3 261 B9R1.13 O=C(O)CC1=CC=CO1 17310 [0,0,0,0,0,1|2,0,0]=3 262 B9R1.13 O=C(O)CC1=CC=CS1 5168 [0,0,0,0,0,1|2,0,0]=3 263 B9R1.13 O=C(O)CC1=CSC=C1 5586 [0,0,0,0,0,1|3,0,0]=4 264 B9R1.13 O=C(O)CC1=NC=CN1 18001 [0,0,0,0,0,1|2,0,0]=3 265 B6R0.4 CC\C=C\C(C)=O 32068 [1,0,1,0,0,0|0,0,2]=4 266 B6R0.4 CO\C=C\C(C)=O 28206 [1,0,1,0,0,0|1,0,1]=4 267 B6R0.6 C\C=C\C=C\CO 13747 [1,0,1,0,0,0|1,0,1]=4 268 B6R0.3 C=CC(N)C(=O)O 21785 [1,0,1,0,0,0|1,0,1]=4 269 B6R0.3 C=C[C@@H](N)C(=O)O 21787 [1,0,1,0,0,0|1,0,1]=4 270 B6R0.3 C=C[C@H](N)C(=O)O 21786 [1,0,1,0,0,0|1,0,1]=4 271 B6R0.3 C=C[C@H](N)C(=O)O 29432 [1,0,1,0,0,0|1,0,1]=4 272 B6R1.2 BrC1=CC=CO1 6929 [2,0,0,0,0,0|2,0,0]=4 273 B6R1.2 BrC1=CC=CS1 5313 [2,0,0,0,0,0|2,0,0]=4 274 B6R1.2 BrC1=NC=CN1 8987 [2,0,0,0,0,0|2,0,0]=4 275 B6R1.2 CC1=CC=CO1 11230 [2,0,0,0,0,0|1,0,0]=3 276 B6R1.2 CC1=CC=CS1 5204 [2,0,0,0,0,0|1,0,0]=3 277 B6R1.2 CC1=CC=NN1 10442 [2,0,0,0,0,0|1,0,0]=3 278 B6R1.2 CC1=CC=NO1 8634 [2,0,0,0,0,0|2,0,0]=4 279 B6R1.2 CC1=CC=NS1 45145 [2,0,0,0,0,0|2,0,0]=4 280 B6R1.2 CC1=CNC=C1 13921 [2,0,0,0,0,0|2,0,0]=4 281 B6R1.2 CC1=CNC=N1 7153 [2,0,0,0,0,0|1,0,1]=4 282 B6R1.2 CC1=COC=C1 19993 [2,0,0,0,0,0|2,0,0]=4 283 B6R1.2 CC1=COC=N1 23604 [2,0,0,0,0,0|1,0,1]=4 284 B6R1.2 CC1=CSC=C1 5565 [2,0,0,0,0,0|2,0,0]=4 285 B6R1.2 CC1=CSC=N1 23683 [2,0,0,0,0,0|1,0,1]=4 286 B6R1.2 CC1=NC=CN1 8049 [2,0,0,0,0,0|1,0,0]=3 287 B6R1.2 CC1=NC=CS1 15749 [2,0,0,0,0,0|1,0,1]=4 288 B6R1.2 CC1=NNC=C1 13253 [2,0,0,0,0,0|1,0,1]=4 289 B6R1.2 CN1C=CC=C1 10822 [2,0,0,0,0,0|2,0,0]=4 290 B6R1.2 CN1C=CC=N1 20862 [2,0,0,0,0,0|1,0,1]=4 291 B6R1.2 ClC1=CC=CS1 7376 [2,0,0,0,0,0|2,0,0]=4 292 B6R1.2 ClC1=NC=CN1 7597 [2,0,0,0,0,0|2,0,0]=4 293 B6R1.2 FC1=CN=CN1 13602 [2,0,0,0,0,0|2,0,0]=4 294 B6R1.2 FC1=NC=CN1 13605 [2,0,0,0,0,0|2,0,0]=4 295 B6R1.2 IC1=CC=CS1 5547 [2,0,0,0,0,0|2,0,0]=4 296 B6R1.2 IC1=NC=CN1 9423 [2,0,0,0,0,0|2,0,0]=4 297 B6R1.2 NC1=CC=CN1 13838 [2,0,0,0,0,0|1,0,0]=3 298 B6R1.2 NC1=NC=CN1 23659 [2,0,0,0,0,0|2,0,0]=4 299 B6R1.2 NC1=NC=CN1 8378 [2,0,0,0,0,0|2,0,0]=4 300 B6R1.2 O=C1C=CCC1 9803 [2,0,0,0,0,0|1,0,1]=4 301 B6R1.2 O=C1C=CCN1 23871 [2,0,0,0,0,0|0,0,1]=3 302 B6R1.2 O=C1C=CNN1 23624 [2,0,0,0,0,0|1,0,0]=3 303 B6R1.2 O=C1C=CON1 27643 [2,0,0,0,0,0|1,0,0]=3 304 B6R1.2 O=C1C=CSN1 20292 [2,0,0,0,0,0|1,0,0]=3 305 B6R1.2 O=C1CC=CC1 12654 [2,0,0,0,0,0|1,0,1]=4 306 B6R1.2 O=C1CC=NN1 23623 [2,0,0,0,0,0|1,0,1]=4 307 B6R1.2 O=C1NC=CN1 18114 [2,0,0,0,0,0|1,0,0]=3 308 B6R1.2 OC1=CC=NN1 23482 [2,0,0,0,0,0|1,0,1]=4 309 B6R1.2 SC1=CC=CS1 7755 [2,0,0,0,0,0|1,1,0]=4 310 B8R0.3 C=CC[C@@H](N)C(=O)OC 30168 [0,1,1,0,0,0|0,0,2]=4 311 B8R1.1 CC1=CC(C=O)=CS1 34688 [1,1,0,0,0,0|2,0,0]=4 312 B8R1.1 CC1=CC(C=O)=NO1 11024 [1,1,0,0,0,0|1,0,1]=4 313 B8R1.1 CC1=CC=C(C=O)O1 9971 [1,1,0,0,0,0|1,0,0]=3 314 B8R1.1 CC1=CC=C(C=O)S1 5205 [1,1,0,0,0,0|1,0,0]=3 315 B8R1.1 CC1=CSC(C=O)=N1 15253 [1,1,0,0,0,0|1,0,1]=4 316 B8R1.1 CC1=NC(C=O)=CS1 15112 [1,1,0,0,0,0|1,0,1]=4 317 B8R1.1 CC1=NNC(C=O)=C1 24109 [1,1,0,0,0,0|1,0,0]=3 318 B8R1.1 CCC1=NC(C)=CN1 15974 [1,1,0,0,0,0|1,0,1]=4 319 B8R1.1 COC1=CC=C(O)O1 22256 [1,1,0,0,0,0|2,0,0]=4 320 B8R1.1 NC1=NC=C(C=O)S1 8904 [1,1,0,0,0,0|2,0,0]=4 321 B8R1.1 O=CC1=CC(Br)=CO1 3545 [1,1,0,0,0,0|1,0,0]=3 322 B8R1.1 O=CC1=CC(Br)=CS1 5188 [1,1,0,0,0,0|1,0,0]=3 323 B8R1.1 O=CC1=CC=C(Br)O1 27066 [1,1,0,0,0,0|1,0,0]=3 324 B8R1.1 O=CC1=CC=C(Br)S1 10834 [1,1,0,0,0,0|1,0,0]=3 325 B8R1.1 O=CC1=CC=C(Br)S1 16744 [1,1,0,0,0,0|1,0,0]=3 326 B8R1.1 O=CC1=CC=C(Cl)S1 7742 [1,1,0,0,0,0|1,0,0]=3 327 B8R1.1 O=CC1=CN=C(Br)S1 21412 [1,1,0,0,0,0|2,0,0]=4 328 B8R1.1 O=CC1=CN=C(Cl)S1 24698 [1,1,0,0,0,0|2,0,0]=4 329 B8R1.1 O=CC1=CSC(Br)=C1 20351 [1,1,0,0,0,0|2,0,0]=4 330 B8R1.1 O=CC1=CSC(Br)=N1 8915 [1,1,0,0,0,0|1,0,1]=4 331 B8R1.1 O=CC1=NNC(Br)=C1 23621 [1,1,0,0,0,0|1,0,1]=4 332 B8R1.8 CCCC1=NC=CN1 15976 [1,1,0,0,0,0|1,0,1]=4 333 B8R1.8 CNCC1=CC=CS1 22897 [1,1,0,0,0,0|1,0,1]=4 334 B8R1.8 NCCC1=CC=CS1 5579 [1,1,0,0,0,0|1,0,1]=4 335 B8R1.8 NCCC1=CC=CS1 8859 [1,1,0,0,0,0|1,0,1]=4 336 B8R1.8 NCCC1=NC=CN1 24954 [1,1,0,0,0,0|1,0,1]=4 337 B8R1.8 O=CCC1=CC=NO1 24239 [1,1,0,0,0,0|2,0,0]=4 338 B8R1.8 O=CCC1=NOC=C1 24240 [1,1,0,0,0,0|1,0,1]=4 339 B8R1.8 OCCC1=CC=CS1 5581 [1,1,0,0,0,0|1,0,1]=4 340 B8R1.8 O\N=C\C1=CC=CS1 14034 [1,1,0,0,0,0|1,0,1]=4 341 B8R1.11 CC1=C(C=O)N=CN1 23016 [1,1,0,0,0,0|1,0,1]=4 342 B8R1.11 CC1=C(C=O)SC=C1 5183 [1,1,0,0,0,0|1,0,0]=3 343 B8R1.11 CC1=C(C=O)SC=C1 9495 [1,1,0,0,0,0|1,0,0]=3 344 B8R1.11 CC1=C(C=O)SC=N1 8419 [1,1,0,0,0,0|2,0,0]=4 345 B8R1.11 CC1=C(C=O)SC=N1 9927 [1,1,0,0,0,0|2,0,0]=4 346 B8R1.11 CN1C=CC=C1C=O 9617 [1,1,0,0,0,0|0,0,0]=2 347 B8R1.11 CN1C=CN=C1C=O 7614 [1,1,0,0,0,0|1,0,0]=3 348 B8R1.11 CN1C=NC=C1C=O 8047 [1,1,0,0,0,0|1,0,0]=3 349 B8R1.11 CN1N=CC=C1C=O 16289 [1,1,0,0,0,0|1,0,0]=3 350 B8R1.11 CN1N=CN=C1C=O 22624 [1,1,0,0,0,0|2,0,0]=4 351 B8R1.11 CSC1=NC=CN1C 31662 [1,1,0,0,0,0|2,0,0]=4 352 B8R1.11 N#CC1=CC=CN1N 17833 [1,1,0,0,0,0|1,0,1]=4 353 B8R1.11 O=CC1=C(Br)C=CO1 7803 [1,1,0,0,0,0|1,0,0]=3 354 B8R1.11 O=CC1=C(Br)C=CS1 5327 [1,1,0,0,0,0|1,0,0]=3 355 B8R1.11 O=CC1=C(Br)SC=C1 27355 [1,1,0,0,0,0|2,0,0]=4 356 B8R1.11 O=CC1=C(Cl)C=CS1 21836 [1,1,0,0,0,0|1,0,0]=3 357 B8R1.11 O=CC1=C(Cl)N=CS1 22340 [1,1,0,0,0,0|2,0,0]=4 358 B8R1.11 O=CC1=C(Cl)SC=C1 33642 [1,1,0,0,0,0|2,0,0]=4 359 B8R1.11 O=CC1=C(I)SC=C1 34866 [1,1,0,0,0,0|2,0,0]=4 360 B8R1.11 O=CC1=CSC=C1Br 32438 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [0,1,0,0,0,1|1,0,0]=3 363 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [0,1,0,0,0,1|1,0,0]=3 364 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [0,1,0,0,0,1|1,0,0]=3 365 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 17693 [0,1,0,0,0,1|0,0,1]=3 366 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [0,1,0,0,0,1|1,0,0]=3 367 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [0,1,0,0,0,1|1,0,0]=3 368 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [0,1,0,0,0,1|1,0,0]=3 369 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [0,1,0,0,0,1|1,0,0]=3 370 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 5959 [0,1,0,0,0,1|0,0,1]=3 371 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [0,1,0,0,0,1|0,0,1]=3 372 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 14411 [0,1,0,0,0,1|0,0,1]=3 373 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [0,1,0,0,0,1|0,0,1]=3 374 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 20326 [0,1,0,0,0,1|0,0,1]=3 375 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [0,1,0,0,0,1|0,0,1]=3 376 B10R1.13 CC(=O)C1=NC=C(N)C=C1 33797 [0,1,0,0,0,1|0,0,1]=3 377 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 15455 [0,1,0,0,0,1|2,0,0]=4 378 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15433 [0,1,0,0,0,1|2,0,0]=4 379 B10R1.13 CC1=CC=C(C(=O)O)N=N1 18650 [0,1,0,0,0,1|1,0,1]=4 380 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [0,1,0,0,0,1|2,0,0]=4 381 B10R1.13 CC1=CN=C(C(=O)O)C=C1 22648 [0,1,0,0,0,1|1,0,1]=4 382 B10R1.13 CC1=CN=C(C(=O)O)C=N1 8550 [0,1,0,0,0,1|1,0,1]=4 383 B10R1.13 CC1=CN=C(C(=O)O)N=C1 35346 [0,1,0,0,0,1|1,0,1]=4 384 B10R1.13 CC1=NC=C(C(=O)O)C=C1 1218 [0,1,0,0,0,1|1,0,1]=4 385 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 3737 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 3619 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.13 NC(=O)C1=CC=C(Cl)N=N1 35945 [0,1,0,0,0,1|1,0,1]=4 388 B10R1.13 NC(=O)C1=CC=C(F)C=C1 3407 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.13 NC(=O)C1=CC=C(N)C=C1 35461 [0,1,0,0,0,1|2,0,0]=4 390 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 32127 [0,1,0,0,0,1|1,0,1]=4 391 B10R1.13 NC(=O)C1=NC=C(N)C=C1 17853 [0,1,0,0,0,1|1,0,1]=4 392 B10R1.13 NC(=O)C1=NC=C(N)C=N1 25348 [0,1,0,0,0,1|1,0,1]=4 393 B10R1.13 NC(=O)C1=NC=C(N)N=C1 32178 [0,1,0,0,0,1|1,0,1]=4 394 B10R1.13 NC1=CC=C(C(=O)O)C=C1 13422 [0,1,0,0,0,1|2,0,0]=4 395 B10R1.13 NC1=CN=C(C(=O)O)C=C1 15896 [0,1,0,0,0,1|1,0,1]=4 396 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17661 [0,1,0,0,0,1|1,0,1]=4 397 B10R1.13 NC1=CN=C(C(=O)O)C=N1 7866 [0,1,0,0,0,1|1,0,1]=4 398 B10R1.13 NC1=NC=C(C(=O)O)C=C1 2417 [0,1,0,0,0,1|1,0,1]=4 399 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 16513 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 14145 [0,1,0,0,0,1|2,0,0]=4 401 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 19744 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 27236 [0,1,0,0,0,1|2,0,0]=4 403 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 18665 [0,1,0,0,0,1|1,0,1]=4 404 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 5141 [0,1,0,0,0,1|1,0,1]=4 405 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 3741 [0,1,0,0,0,1|2,0,0]=4 406 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 8985 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 17692 [0,1,0,0,0,1|1,0,1]=4 408 B10R1.13 O=C(O)C1=CC=C(F)C=C1 8221 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.13 O=C(O)C1=CC=C(I)C=C1 3928 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.13 O=C(O)C1=CC=C(O)C=C1 16819 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.13 O=C(O)C1=CC=C(O)N=N1 16854 [0,1,0,0,0,1|1,0,1]=4 412 B10R1.13 O=C(O)C1=CC=C(S)C=C1 6842 [0,1,0,0,0,1|2,0,0]=4 413 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 1122 [0,1,0,0,0,1|1,0,1]=4 414 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 2600 [0,1,0,0,0,1|1,0,1]=4 415 B10R1.13 O=C(O)C1=CN=C(F)C=C1 1121 [0,1,0,0,0,1|1,0,1]=4 416 B10R1.13 O=C(O)C1=CN=C(O)C=C1 15641 [0,1,0,0,0,1|1,0,1]=4 417 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 9212 [0,1,0,0,0,1|1,0,1]=4 418 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 16922 [0,1,0,0,0,1|1,0,1]=4 419 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 10379 [0,1,0,0,0,1|1,0,1]=4 420 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 29199 [0,1,0,0,0,1|1,0,1]=4 421 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 24823 [0,1,0,0,0,1|1,0,1]=4 422 B10R1.13 O=C(O)C1=NC=C(F)C=C1 14387 [0,1,0,0,0,1|1,0,1]=4 423 B10R1.13 O=C(O)C1=NC=C(I)C=C1 27836 [0,1,0,0,0,1|1,0,1]=4 424 B10R1.13 O=C(O)C1=NC=C(O)C=C1 10094 [0,1,0,0,0,1|1,0,1]=4 425 B10R1.13 O=C(O)C1=NC=C(O)N=C1 24014 [0,1,0,0,0,1|1,0,1]=4 426 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [0,1,0,0,0,1|1,0,1]=4 427 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [0,1,0,0,0,1|0,0,1]=3 428 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [0,1,0,0,0,1|1,0,0]=3 429 B10R1.15 COC(=O)C1=CC=NC=C1 11729 [0,1,0,0,0,1|1,0,0]=3 430 B10R1.15 COC(=O)C1=CN=CC=C1 11724 [0,1,0,0,0,1|0,0,1]=3 431 B10R1.15 COC(=O)C1=CN=CN=C1 13273 [0,1,0,0,0,1|1,0,1]=4 432 B10R1.15 COC(=O)C1=NC=CC=C1 15906 [0,1,0,0,0,1|0,0,1]=3 433 B10R1.15 COC(=O)C1=NC=CC=N1 20808 [0,1,0,0,0,1|0,0,1]=3 434 B10R1.15 COC(=O)C1=NC=CN=C1 14789 [0,1,0,0,0,1|0,0,1]=3 435 B10R1.15 COC(=O)C1=NC=NC=C1 20806 [0,1,0,0,0,1|0,0,1]=3 436 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [0,1,0,0,0,1|1,0,0]=3 437 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [0,1,0,0,0,1|1,0,0]=3 438 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [0,1,0,0,0,1|1,0,0]=3 439 B10R1.15 NNC(=O)C1=NC=CC=C1 23651 [0,1,0,0,0,1|1,0,1]=4 440 B10R1.15 NNC(=O)c1ccccc1 21535 [0,1,0,0,0,1|2,0,0]=4 441 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [0,1,0,0,0,1|1,0,0]=3 442 B10R1.15 O=C(CBr)C1=NC=CC=C1 21374 [0,1,0,0,0,1|0,0,1]=3 443 B10R1.15 O=C(CBr)C1=NC=CN=C1 21375 [0,1,0,0,0,1|0,0,1]=3 444 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [0,1,0,0,0,1|1,0,0]=3 445 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [0,1,0,0,0,1|1,0,0]=3 446 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [0,1,0,0,0,1|1,0,0]=3 447 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 10862 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.28 CS(=O)(=O)C1=NC=CC=N1 21988 [0,1,0,0,0,1|1,0,1]=4 449 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 3086 [0,1,0,0,0,1|1,0,0]=3 450 B10R1.61 CC(=O)C1=C(C)C=CC=C1 3090 [0,1,0,0,0,1|1,0,0]=3 451 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 3084 [0,1,0,0,0,1|1,0,0]=3 452 B10R1.61 CC(=O)C1=C(F)C=CC=C1 22574 [0,1,0,0,0,1|1,0,0]=3 453 B10R1.61 CC(=O)C1=C(F)C=NC=C1 33787 [0,1,0,0,0,1|1,0,0]=3 454 B10R1.61 CC(=O)C1=C(I)C=CC=C1 3893 [0,1,0,0,0,1|1,0,0]=3 455 B10R1.61 CC(=O)C1=C(O)C=CC=C1 23010 [0,1,0,0,0,1|1,0,0]=3 456 B10R1.61 CC(=O)C1=CC=CN=C1Cl 14410 [0,1,0,0,0,1|0,0,1]=3 457 B10R1.61 CC(=O)C1=CC=CN=C1F 5049 [0,1,0,0,0,1|0,0,1]=3 458 B10R1.61 CC(=O)C1=CC=CN=C1N 18534 [0,1,0,0,0,1|0,0,1]=3 459 B10R1.61 CC(=O)C1=CC=CNC1=O 23936 [0,1,0,0,0,1|0,0,0]=2 460 B10R1.61 CC(=O)C1=NC=CC=C1Cl 34385 [0,1,0,0,0,1|0,0,1]=3 461 B10R1.61 CC(=O)C1=NC=CC=C1F 1300 [0,1,0,0,0,1|0,0,1]=3 462 B10R1.61 CC(=O)C1=NC=CC=C1N 17729 [0,1,0,0,0,1|0,0,1]=3 463 B10R1.61 CC(=O)C1=NC=CN=C1C 8616 [0,1,0,0,0,1|0,0,1]=3 464 B10R1.61 CC(=O)C1=NC=CN=C1N 33762 [0,1,0,0,0,1|0,0,1]=3 465 B10R1.61 CC1=C(C(=O)O)C=CC=N1 2458 [0,1,0,0,0,1|1,0,1]=4 466 B10R1.61 CC1=C(C(=O)O)C=CN=C1 19851 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.61 CC1=C(C(=O)O)C=NC=C1 16270 [0,1,0,0,0,1|1,0,1]=4 468 B10R1.61 CC1=CC=CC=C1C(=O)Cl 15451 [0,1,0,0,0,1|2,0,0]=4 469 B10R1.61 CC1=CC=CC=C1C(=O)O 15431 [0,1,0,0,0,1|2,0,0]=4 470 B10R1.61 CC1=CC=CN=C1C(=O)O 14396 [0,1,0,0,0,1|1,0,1]=4 471 B10R1.61 CC1=CC=CN=C1C(=O)O 17659 [0,1,0,0,0,1|1,0,1]=4 472 B10R1.61 CC1=NC=CC=C1C(N)=O 22966 [0,1,0,0,0,1|1,0,1]=4 473 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 3733 [0,1,0,0,0,1|2,0,0]=4 474 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 22133 [0,1,0,0,0,1|2,0,0]=4 475 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 3617 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.61 NC(=O)C1=C(F)C=CC=C1 3405 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.61 NC(=O)C1=C(F)C=NC=C1 15252 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.61 NC(=O)C1=C(I)C=CC=C1 3299 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.61 NC(=O)C1=C(N)C=CN=C1 3187 [0,1,0,0,0,1|1,0,1]=4 480 B10R1.61 NC(=O)C1=CC=CC=C1N 13631 [0,1,0,0,0,1|2,0,0]=4 481 B10R1.61 NC(=O)C1=CC=CC=C1O 10992 [0,1,0,0,0,1|2,0,0]=4 482 B10R1.61 NC(=O)C1=CC=CN=C1N 14977 [0,1,0,0,0,1|1,0,1]=4 483 B10R1.61 NC(=O)C1=NC=CC=C1N 16893 [0,1,0,0,0,1|1,0,1]=4 484 B10R1.61 NC(=O)C1=NC=CC=C1O 36150 [0,1,0,0,0,1|1,0,1]=4 485 B10R1.61 NC(=O)C1=NC=CN=C1Cl 32162 [0,1,0,0,0,1|1,0,1]=4 486 B10R1.61 NC(=O)C1=NC=CN=C1Cl 32162 [0,1,0,0,0,1|1,0,1]=4 487 B10R1.61 NC(=O)C1=NC=CN=C1O 32110 [0,1,0,0,0,1|1,0,1]=4 488 B10R1.61 NC(=O)c1cccnc1Br 10860 [0,1,0,0,0,1|1,0,1]=4 489 B10R1.61 NC1=C(C(=O)O)C=CC=N1 1216 [0,1,0,0,0,1|1,0,1]=4 490 B10R1.61 NC1=C(C(=O)O)C=CN=C1 16665 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.61 NC1=C(C(=O)O)C=CN=C1 2420 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.61 NC1=C(C(=O)O)N=NC=C1 19684 [0,1,0,0,0,1|1,0,1]=4 493 B10R1.61 NC1=CC=CN=C1C(=O)O 2015 [0,1,0,0,0,1|1,0,1]=4 494 B10R1.61 NC1=CC=NC=C1C(=O)O 1214 [0,1,0,0,0,1|1,0,1]=4 495 B10R1.61 NC1=NC=CN=C1C(=O)O 8544 [0,1,0,0,0,1|1,0,1]=4 496 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 12510 [0,1,0,0,0,1|2,0,0]=4 497 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 2599 [0,1,0,0,0,1|1,0,1]=4 498 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 15054 [0,1,0,0,0,1|2,0,0]=4 499 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 3739 [0,1,0,0,0,1|2,0,0]=4 500 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 18140 [0,1,0,0,0,1|1,0,1]=4 501 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 13576 [0,1,0,0,0,1|2,0,0]=4 502 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 5087 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 2596 [0,1,0,0,0,1|1,0,1]=4 504 B10R1.61 O=C(O)C1=C(F)C=CC=C1 9650 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.61 O=C(O)C1=C(F)C=CN=C1 10434 [0,1,0,0,0,1|1,0,1]=4 506 B10R1.61 O=C(O)C1=C(F)C=NC=C1 3549 [0,1,0,0,0,1|2,0,0]=4 507 B10R1.61 O=C(O)C1=C(F)N=CC=C1 1120 [0,1,0,0,0,1|1,0,1]=4 508 B10R1.61 O=C(O)C1=C(I)C=CC=C1 3924 [0,1,0,0,0,1|2,0,0]=4 509 B10R1.61 O=C(O)C1=C(I)N=CC=C1 34248 [0,1,0,0,0,1|1,0,1]=4 510 B10R1.61 O=C(O)C1=C(O)C=NC=C1 16741 [0,1,0,0,0,1|2,0,0]=4 511 B10R1.61 O=C(O)C1=C(O)N=CC=C1 2597 [0,1,0,0,0,1|1,0,1]=4 512 B10R1.61 O=C(O)C1=C(S)N=CC=C1 21289 [0,1,0,0,0,1|1,0,1]=4 513 B10R1.61 O=C(O)C1=CC=CC=C1S 6841 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.61 O=C(O)C1=CC=CN=C1Br 5071 [0,1,0,0,0,1|1,0,1]=4 515 B10R1.61 O=C(O)C1=CN=CC=C1Cl 12989 [0,1,0,0,0,1|1,0,1]=4 516 B10R1.61 O=C(O)C1=CN=CC=C1I 33396 [0,1,0,0,0,1|1,0,1]=4 517 B10R1.61 O=C(O)C1=NC=CC=C1Br 5070 [0,1,0,0,0,1|1,0,1]=4 518 B10R1.61 O=C(O)C1=NC=CC=C1Cl 12918 [0,1,0,0,0,1|1,0,1]=4 519 B10R1.61 O=C(O)C1=NC=CC=C1F 5140 [0,1,0,0,0,1|1,0,1]=4 520 B10R1.61 O=C(O)C1=NC=CC=C1O 9286 [0,1,0,0,0,1|1,0,1]=4 521 B10R1.61 O=C(O)C1=NC=CN=C1Br 32152 [0,1,0,0,0,1|1,0,1]=4 522 B10R1.61 O=C(O)C1=NC=CN=C1Cl 19770 [0,1,0,0,0,1|1,0,1]=4 523 B10R1.61 O=C(O)C1=NC=CN=C1I 32124 [0,1,0,0,0,1|1,0,1]=4 524 B10R1.61 O=C(O)C1=NC=CN=C1O 8870 [0,1,0,0,0,1|1,0,1]=4 525 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 2270 [0,1,0,0,0,1|2,0,0]=4 526 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 3087 [0,1,0,0,0,1|1,0,0]=3 527 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 15626 [0,1,0,0,0,1|0,0,1]=3 528 B10R1.113 CC(=O)C1=CC(C)=CC=C1 4279 [0,1,0,0,0,1|1,0,0]=3 529 B10R1.113 CC(=O)C1=CC(C)=CN=C1 26484 [0,1,0,0,0,1|0,0,1]=3 530 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 27309 [0,1,0,0,0,1|1,0,0]=3 531 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 3085 [0,1,0,0,0,1|1,0,0]=3 532 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 6177 [0,1,0,0,0,1|1,0,0]=3 533 B10R1.113 CC(=O)C1=CC(F)=CC=C1 4232 [0,1,0,0,0,1|1,0,0]=3 534 B10R1.113 CC(=O)C1=CC(F)=CN=C1 34208 [0,1,0,0,0,1|0,0,1]=3 535 B10R1.113 CC(=O)C1=CC(I)=CC=C1 3895 [0,1,0,0,0,1|1,0,0]=3 536 B10R1.113 CC(=O)C1=CC(N)=CC=C1 6391 [0,1,0,0,0,1|1,0,0]=3 537 B10R1.113 CC(=O)C1=CC(O)=CC=C1 3284 [0,1,0,0,0,1|1,0,0]=3 538 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 13351 [0,1,0,0,0,1|0,0,1]=3 539 B10R1.113 CC(=O)C1=NC(C)=CC=C1 9826 [0,1,0,0,0,1|0,0,1]=3 540 B10R1.113 CC(=O)C1=NC=CC(C)=C1 4045 [0,1,0,0,0,1|0,0,1]=3 541 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 19518 [0,1,0,0,0,1|0,0,1]=3 542 B10R1.113 CC1=CC(C(=O)Cl)=CN=C1 14338 [0,1,0,0,0,1|1,0,1]=4 543 B10R1.113 CC1=CC(C(=O)O)=CC=C1 15435 [0,1,0,0,0,1|2,0,0]=4 544 B10R1.113 CC1=CC(C(=O)O)=CN=C1 11961 [0,1,0,0,0,1|1,0,1]=4 545 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 15456 [0,1,0,0,0,1|2,0,0]=4 546 B10R1.113 CC1=CC=CC(C(=O)O)=N1 12414 [0,1,0,0,0,1|1,0,1]=4 547 B10R1.113 CC1=CC=CC(C(=O)O)=N1 18834 [0,1,0,0,0,1|1,0,1]=4 548 B10R1.113 CC1=NC(C(=O)O)=CN=C1 29069 [0,1,0,0,0,1|1,0,1]=4 549 B10R1.113 CC1=NC=CC(C(=O)O)=C1 13978 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.113 CC1=NC=CC(C(=O)O)=N1 25613 [0,1,0,0,0,1|1,0,1]=4 551 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 3734 [0,1,0,0,0,1|2,0,0]=4 552 B10R1.113 NC(=O)C1=CC(Br)=NC=C1 16641 [0,1,0,0,0,1|2,0,0]=4 553 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 3618 [0,1,0,0,0,1|2,0,0]=4 554 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 16074 [0,1,0,0,0,1|2,0,0]=4 555 B10R1.113 NC(=O)C1=CC(I)=CC=C1 3301 [0,1,0,0,0,1|2,0,0]=4 556 B10R1.113 NC(=O)C1=CC(N)=CC=C1 28767 [0,1,0,0,0,1|2,0,0]=4 557 B10R1.113 NC(=O)C1=CC(N)=NC=C1 16603 [0,1,0,0,0,1|2,0,0]=4 558 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 1212 [0,1,0,0,0,1|1,0,1]=4 559 B10R1.113 NC(=O)C1=NC(Cl)=CN=C1 32143 [0,1,0,0,0,1|1,0,1]=4 560 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 9223 [0,1,0,0,0,1|1,0,1]=4 561 B10R1.113 NC(=O)C1=NC=CC(F)=C1 14534 [0,1,0,0,0,1|1,0,1]=4 562 B10R1.113 NC1=CC(C(=O)O)=CN=C1 15914 [0,1,0,0,0,1|1,0,1]=4 563 B10R1.113 NC1=CC(C(=O)O)=NC=C1 22241 [0,1,0,0,0,1|1,0,1]=4 564 B10R1.113 NC1=CC=CC(C(=O)O)=N1 7686 [0,1,0,0,0,1|1,0,1]=4 565 B10R1.113 NC1=CN=CC(C(=O)O)=N1 32113 [0,1,0,0,0,1|1,0,1]=4 566 B10R1.113 NC1=NC=CC(C(=O)O)=C1 2426 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.113 NC1=NC=CC(C(=O)O)=N1 29010 [0,1,0,0,0,1|1,0,1]=4 568 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 13574 [0,1,0,0,0,1|2,0,0]=4 569 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 16064 [0,1,0,0,0,1|2,0,0]=4 570 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 19742 [0,1,0,0,0,1|2,0,0]=4 571 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 3740 [0,1,0,0,0,1|2,0,0]=4 572 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 9211 [0,1,0,0,0,1|2,0,0]=4 573 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 8991 [0,1,0,0,0,1|2,0,0]=4 574 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 2598 [0,1,0,0,0,1|2,0,0]=4 575 B10R1.113 O=C(O)C1=CC(F)=CC=C1 3480 [0,1,0,0,0,1|2,0,0]=4 576 B10R1.113 O=C(O)C1=CC(F)=NC=C1 3548 [0,1,0,0,0,1|2,0,0]=4 577 B10R1.113 O=C(O)C1=CC(I)=CC=C1 3925 [0,1,0,0,0,1|2,0,0]=4 578 B10R1.113 O=C(O)C1=CC(I)=NC=C1 16692 [0,1,0,0,0,1|2,0,0]=4 579 B10R1.113 O=C(O)C1=CC(O)=CC=C1 9161 [0,1,0,0,0,1|2,0,0]=4 580 B10R1.113 O=C(O)C1=CC(O)=NC=C1 16780 [0,1,0,0,0,1|2,0,0]=4 581 B10R1.113 O=C(O)C1=CC(S)=CC=C1 5566 [0,1,0,0,0,1|2,0,0]=4 582 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 29232 [0,1,0,0,0,1|1,0,1]=4 583 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 9222 [0,1,0,0,0,1|1,0,1]=4 584 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 1211 [0,1,0,0,0,1|1,0,1]=4 585 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 11089 [0,1,0,0,0,1|1,0,1]=4 586 B10R1.113 O=C(O)C1=CN=CC(F)=C1 10942 [0,1,0,0,0,1|1,0,1]=4 587 B10R1.113 O=C(O)C1=CN=CC(O)=C1 2415 [0,1,0,0,0,1|1,0,1]=4 588 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 2422 [0,1,0,0,0,1|1,0,1]=4 589 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 27951 [0,1,0,0,0,1|1,0,1]=4 590 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 34398 [0,1,0,0,0,1|1,0,1]=4 591 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 16687 [0,1,0,0,0,1|1,0,1]=4 592 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 21879 [0,1,0,0,0,1|1,0,1]=4 593 B10R1.113 O=C(O)C1=NC(F)=CC=C1 13570 [0,1,0,0,0,1|1,0,1]=4 594 B10R1.113 O=C(O)C1=NC(I)=CC=C1 9290 [0,1,0,0,0,1|1,0,1]=4 595 B10R1.113 O=C(O)C1=NC(O)=CC=C1 2421 [0,1,0,0,0,1|1,0,1]=4 596 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 4064 [0,1,0,0,0,1|1,0,1]=4 597 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 12731 [0,1,0,0,0,1|1,0,1]=4 598 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 22102 [0,1,0,0,0,1|1,0,1]=4 599 B10R1.113 O=C(O)C1=NC=CC(I)=C1 27885 [0,1,0,0,0,1|1,0,1]=4 600 B10R1.113 O=C(O)C1=NC=CC(O)=C1 17131 [0,1,0,0,0,1|1,0,1]=4 601 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 23631 [0,1,0,0,0,1|1,0,1]=4 602 B10R1.113 O=C(O)C1=NC=NC(O)=C1 12436 [0,1,0,0,0,1|1,0,1]=4 603 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 26798 [0,1,0,0,0,1|1,0,1]=4 604 B10R1.113 O=C1N=CC=C(C(=O)O)N1 34394 [0,1,0,0,0,1|1,0,0]=3 605 B10R1.23 NC(C(=O)O)C1=CC=CO1 35017 [0,1,0,0,0,1|2,0,0]=4 606 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 29908 [0,1,0,0,0,1|2,0,0]=4 607 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 29907 [0,1,0,0,0,1|2,0,0]=4 608 B10R1.23 O=C(O)C(=O)C1=CC=CS1 5576 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.23 O=C(O)C(O)C1=CC=CS1 23764 [0,1,0,0,0,1|2,0,0]=4 610 B10R1.54 CC(=O)NC1=NC(Br)=CS1 33360 [0,1,0,0,0,1|1,0,1]=4 611 B10R1.54 CC(=O)NC1=NC(Cl)=CS1 33359 [0,1,0,0,0,1|1,0,1]=4 612 B10R1.64 CN1C=CC=C1CC(=O)O 15041 [0,1,0,0,0,1|1,0,0]=3 613 B10R1.11 CCOC(=O)C1=CC=CN1 14843 [0,2,0,0,0,0|0,0,0]=2 614 B10R1.11 CCOC(=O)C1=CC=CO1 7087 [0,2,0,0,0,0|1,0,0]=3 615 B10R1.11 CCOC(=O)C1=CC=NN1 23654 [0,2,0,0,0,0|1,0,0]=3 616 B10R1.11 CCOC(=O)C1=CN=CO1 24995 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.11 CCOC(=O)C1=CN=CS1 17199 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.11 CCOC(=O)C1=CNC=N1 19079 [0,2,0,0,0,0|1,0,1]=4 619 B10R1.11 CCOC(=O)C1=COC=C1 19999 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.11 CCOC(=O)C1=COC=N1 15937 [0,2,0,0,0,0|1,0,1]=4 621 B10R1.11 CCOC(=O)C1=CSC=C1 16116 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.11 CCOC(=O)C1=CSC=N1 15785 [0,2,0,0,0,0|1,0,1]=4 623 B10R1.11 CCOC(=O)C1=NC=CN1 19979 [0,2,0,0,0,0|1,0,0]=3 624 B10R1.11 CCOC(=O)C1=NC=CO1 15936 [0,2,0,0,0,0|1,0,1]=4 625 B10R1.11 CCOC(=O)C1=NNC=C1 19209 [0,2,0,0,0,0|1,0,1]=4 626 B10R1.11 CCOC(=O)C1=NOC=C1 15841 [0,2,0,0,0,0|1,0,1]=4 627 B10R1.11 N#CCC(=O)C1=CC=CO1 11959 [0,2,0,0,0,0|1,0,0]=3 628 B10R1.11 N#CCC(=O)C1=CC=CS1 8372 [0,2,0,0,0,0|1,0,0]=3 629 B10R1.11 N#CCC(=O)C1=COC=C1 11957 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.11 N#CCC(=O)C1=CSC=C1 11956 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.14 COC(=O)C1=CC(Br)=CN1 13045 [0,2,0,0,0,0|0,0,0]=2 632 B10R1.14 COC(=O)C1=CC(O)=NO1 25470 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.14 COC(=O)C1=CC=C(Cl)S1 27226 [0,2,0,0,0,0|1,0,0]=3 634 B10R1.14 COC(=O)C1=CC=C(N)S1 15670 [0,2,0,0,0,0|1,0,0]=3 635 B10R1.14 COC(=O)C1=CN(C)C=C1 25789 [0,2,0,0,0,0|2,0,0]=4 636 B10R1.14 COC(=O)C1=CN(C)C=N1 9002 [0,2,0,0,0,0|1,0,1]=4 637 B10R1.14 COC(=O)C1=CN=C(Br)S1 17197 [0,2,0,0,0,0|2,0,0]=4 638 B10R1.14 COC(=O)C1=CN=C(N)S1 23603 [0,2,0,0,0,0|2,0,0]=4 639 B10R1.14 COC(=O)C1=COC(C)=N1 11666 [0,2,0,0,0,0|1,0,1]=4 640 B10R1.14 COC(=O)C1=CSC(Br)=C1 27871 [0,2,0,0,0,0|2,0,0]=4 641 B10R1.14 COC(=O)C1=CSC(Br)=C1 32397 [0,2,0,0,0,0|2,0,0]=4 642 B10R1.14 COC(=O)C1=CSC(Br)=N1 8920 [0,2,0,0,0,0|1,0,1]=4 643 B10R1.14 COC(=O)C1=CSC(N)=N1 9926 [0,2,0,0,0,0|1,0,1]=4 644 B10R1.14 COC(=O)C1=NC(C)=CS1 17196 [0,2,0,0,0,0|1,0,1]=4 645 B10R1.14 COC(=O)C1=NC=C(C)S1 23005 [0,2,0,0,0,0|1,0,1]=4 646 B10R1.14 COC(=O)C1=NN(C)C=C1 23715 [0,2,0,0,0,0|1,0,1]=4 647 B10R1.14 COC(=O)C1=NN=C(Br)N1 24231 [0,2,0,0,0,0|2,0,0]=4 648 B10R1.14 COC(=O)C1=NSC(N)=C1 23749 [0,2,0,0,0,0|1,0,1]=4 649 B10R1.14 COC(=O)c1cnc(C)o1 23889 [0,2,0,0,0,0|2,0,0]=4 650 B10R1.14 NNC(=O)C1=CC=C(Br)S1 16117 [0,2,0,0,0,0|2,0,0]=4 651 B10R1.14 NNC(=O)C1=CC=C(Cl)S1 16134 [0,2,0,0,0,0|2,0,0]=4 652 B10R1.14 O=C(CCl)C1=CC=C(Br)S1 5287 [0,2,0,0,0,0|1,0,0]=3 653 B10R1.14 O=CC(=O)c1ccc(Br)s1 12313 [0,2,0,0,0,0|1,0,1]=4 654 B10R1.149 COC(=O)C1=C(Br)C=CS1 33825 [0,2,0,0,0,0|1,0,0]=3 655 B10R1.149 COC(=O)C1=C(Br)SC=N1 8917 [0,2,0,0,0,0|1,0,1]=4 656 B10R1.149 COC(=O)C1=C(C)C=CS1 10098 [0,2,0,0,0,0|1,0,0]=3 657 B10R1.149 COC(=O)C1=C(C)N=CS1 9931 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.149 COC(=O)C1=C(C)SC=C1 15770 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.149 COC(=O)C1=C(Cl)C=CS1 9775 [0,2,0,0,0,0|1,0,0]=3 660 B10R1.149 COC(=O)C1=C(F)C=CS1 15241 [0,2,0,0,0,0|1,0,0]=3 661 B10R1.149 COC(=O)C1=C(I)C=CS1 33549 [0,2,0,0,0,0|1,0,0]=3 662 B10R1.149 COC(=O)C1=C(N)C=CS1 7304 [0,2,0,0,0,0|1,0,0]=3 663 B10R1.149 COC(=O)C1=C(N)SC=C1 5551 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.149 COC(=O)C1=C(O)C=CS1 7744 [0,2,0,0,0,0|1,0,0]=3 665 B10R1.149 COC(=O)C1=CC=CN1C 12438 [0,2,0,0,0,0|0,0,0]=2 666 B10R1.149 COC(=O)C1=CC=NN1N 14868 [0,2,0,0,0,0|1,0,0]=3 667 B10R1.149 COC(=O)C1=CN=CN1C 9004 [0,2,0,0,0,0|1,0,0]=3 668 B10R1.149 COC(=O)C1=CN=NN1C 19255 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.149 COC(=O)C1=NC=CN1C 23746 [0,2,0,0,0,0|1,0,0]=3 670 B10R1.149 COC(=O)C1=NNC=C1Br 34527 [0,2,0,0,0,0|1,0,1]=4 671 B10R1.149 COC(=O)C1=NNC=C1N 31973 [0,2,0,0,0,0|1,0,1]=4 672 B10R1.31 CC(=O)C1=CC=C(CO)O1 24280 [0,2,0,0,0,0|1,0,0]=3 673 B10R1.31 CSC1=CC=C(C(=O)O)S1 36164 [0,2,0,0,0,0|2,0,0]=4 674 B10R1.31 N#CC1=NNC(C(=O)O)=C1 23650 [0,2,0,0,0,0|2,0,0]=4 675 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 7743 [0,2,0,0,0,0|2,0,0]=4 676 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 29050 [0,2,0,0,0,0|2,0,0]=4 677 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 7747 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 33351 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 9941 [0,2,0,0,0,0|2,0,0]=4 680 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 24350 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.59 CC(=O)C1=C(C)NC(=O)N1 24985 [0,2,0,0,0,0|1,0,0]=3 682 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 6964 [0,2,0,0,0,0|2,0,0]=4 683 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 5517 [0,2,0,0,0,0|2,0,0]=4 684 B10R1.59 CC1=C(C(=O)O)NC(Br)=N1 25251 [0,2,0,0,0,0|2,0,0]=4 685 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 10101 [0,2,0,0,0,0|2,0,0]=4 686 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 23985 [0,2,0,0,0,0|1,0,0]=3 687 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 7839 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.194 CC(=O)C1=CNC(Br)=C1C 22819 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.194 CC1=C(C(=O)Cl)SC=C1Br 5266 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.194 CC1=C(C(=O)O)SC=C1Br 5272 [0,2,0,0,0,0|2,0,0]=4 691 B10R1.194 CN1C(Br)=CC=C1C(=O)O 35544 [0,2,0,0,0,0|1,0,0]=3 692 B10R1.192 CC(=O)C1=C(C)NC=C1C 11100 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.192 CN1N=CC(Br)=C1C(=O)O 19973 [0,2,0,0,0,0|2,0,0]=4 694 B8R1.4 CC1=CC(Br)=CC=C1 3836 [0,0,1,1,0,0|2,0,0]=4 695 B8R1.4 CC1=CC(Cl)=CC=C1 3678 [0,0,1,1,0,0|2,0,0]=4 696 B8R1.4 CC1=CC(I)=CC=C1 12585 [0,0,1,1,0,0|2,0,0]=4 697 B8R1.4 CC1=CC(N)=NC=C1 2238 [0,0,1,1,0,0|2,0,0]=4 698 B8R1.4 CC1=CC=CC(Br)=N1 1139 [0,0,1,1,0,0|2,0,0]=4 699 B8R1.4 CC1=CC=CC(C)=N1 14295 [0,0,1,1,0,0|2,0,0]=4 700 B8R1.4 CC1=CC=CC(C)=N1 15897 [0,0,1,1,0,0|2,0,0]=4 701 B8R1.4 CC1=CC=CC(Cl)=N1 1194 [0,0,1,1,0,0|2,0,0]=4 702 B8R1.4 CC1=CC=CC(F)=C1 24460 [0,0,1,1,0,0|2,0,0]=4 703 B8R1.4 CC1=CC=CC(F)=N1 6443 [0,0,1,1,0,0|2,0,0]=4 704 B8R1.4 CC1=CC=CC(I)=N1 34165 [0,0,1,1,0,0|2,0,0]=4 705 B8R1.4 CC1=CC=CC(N)=N1 5922 [0,0,1,1,0,0|1,0,0]=3 706 B8R1.4 CC1=CC=CC(O)=N1 1114 [0,0,1,1,0,0|2,0,0]=4 707 B8R1.4 CC1=CC=CC(S)=C1 6808 [0,0,1,1,0,0|2,0,0]=4 708 B8R1.4 CC1=CN=CC(N)=C1 1279 [0,0,1,1,0,0|2,0,0]=4 709 B8R1.4 CC1=CN=CC(N)=C1 9634 [0,0,1,1,0,0|2,0,0]=4 710 B8R1.4 CC1=CN=CC(N)=N1 32122 [0,0,1,1,0,0|2,0,0]=4 711 B8R1.4 CC1=NC(N)=NC=C1 6978 [0,0,1,1,0,0|2,0,0]=4 712 B8R1.4 CC1=NC=CC(N)=C1 1118 [0,0,1,1,0,0|2,0,0]=4 713 B8R1.4 NC1=CC(Br)=CC=C1 3723 [0,0,1,1,0,0|1,0,1]=4 714 B8R1.4 NC1=CC(Cl)=CC=C1 20239 [0,0,1,1,0,0|1,0,1]=4 715 B8R1.4 NC1=CC(F)=CC=C1 10751 [0,0,1,1,0,0|1,0,1]=4 716 B8R1.4 NC1=CC(F)=CC=C1 13943 [0,0,1,1,0,0|1,0,1]=4 717 B8R1.4 NC1=CC(I)=CC=C1 10577 [0,0,1,1,0,0|1,0,1]=4 718 B8R1.4 NC1=CC=CC(N)=N1 15371 [0,0,1,1,0,0|2,0,0]=4 719 B8R1.4 NC1=CC=CC(O)=C1 18119 [0,0,1,1,0,0|0,0,2]=4 720 B8R1.4 NC1=CC=CC(O)=N1 25861 [0,0,1,1,0,0|1,0,1]=4 721 B8R1.4 NC1=CC=CC(S)=C1 2470 [0,0,1,1,0,0|0,1,1]=4 722 B8R1.4 NC1=NC(=O)NC=C1 14137 [0,0,1,1,0,0|2,0,0]=4 723 B8R1.4 NC1=NC(Br)=CC=C1 17525 [0,0,1,1,0,0|2,0,0]=4 724 B8R1.4 NC1=NC(Br)=CC=C1 7663 [0,0,1,1,0,0|2,0,0]=4 725 B8R1.4 NC1=NC(Cl)=CC=C1 9117 [0,0,1,1,0,0|2,0,0]=4 726 B8R1.4 NC1=NC(F)=CC=C1 2979 [0,0,1,1,0,0|2,0,0]=4 727 B8R1.4 NC1=NC(I)=CC=C1 26933 [0,0,1,1,0,0|2,0,0]=4 728 B8R1.4 NC1=NC=CC(=O)N1 15780 [0,0,1,1,0,0|2,0,0]=4 729 B8R1.5 CC1=C(Br)C=CC=C1 3834 [0,0,1,1,0,0|2,0,0]=4 730 B8R1.5 CC1=C(Cl)C=CC=C1 19748 [0,0,1,1,0,0|2,0,0]=4 731 B8R1.5 CC1=C(I)C=CC=C1 9516 [0,0,1,1,0,0|2,0,0]=4 732 B8R1.5 CC1=C(N)C=CN=C1 1119 [0,0,1,1,0,0|2,0,0]=4 733 B8R1.5 CC1=C(N)C=NC=C1 1278 [0,0,1,1,0,0|2,0,0]=4 734 B8R1.5 CC1=C(S)C=CC=C1 6806 [0,0,1,1,0,0|2,0,0]=4 735 B8R1.5 CC1=CC=CC=C1N 20202 [0,0,1,1,0,0|1,0,0]=3 736 B8R1.5 CC1=CC=CC=C1O 15714 [0,0,1,1,0,0|2,0,0]=4 737 B8R1.5 CC1=CC=CN=C1C 20520 [0,0,1,1,0,0|2,0,0]=4 738 B8R1.5 CC1=CC=CN=C1N 1217 [0,0,1,1,0,0|2,0,0]=4 739 B8R1.5 CC1=NC=CC=C1Br 1220 [0,0,1,1,0,0|2,0,0]=4 740 B8R1.5 CC1=NC=CC=C1Cl 14380 [0,0,1,1,0,0|2,0,0]=4 741 B8R1.5 CC1=NC=CC=C1F 14381 [0,0,1,1,0,0|2,0,0]=4 742 B8R1.5 CC1=NC=CC=C1I 14400 [0,0,1,1,0,0|2,0,0]=4 743 B8R1.5 CC1=NC=CC=C1N 2076 [0,0,1,1,0,0|1,0,0]=3 744 B8R1.5 CC1=NC=CC=C1O 6626 [0,0,1,1,0,0|2,0,0]=4 745 B8R1.5 CC1=NC=CN=C1N 19617 [0,0,1,1,0,0|2,0,0]=4 746 B8R1.5 CC1=NC=NC=C1N 19924 [0,0,1,1,0,0|2,0,0]=4 747 B8R1.5 NC1=C(Br)C=CC=C1 3722 [0,0,1,1,0,0|1,0,1]=4 748 B8R1.5 NC1=C(Cl)C=CC=C1 19107 [0,0,1,1,0,0|1,0,1]=4 749 B8R1.5 NC1=C(F)C=CC=C1 15382 [0,0,1,1,0,0|1,0,1]=4 750 B8R1.5 NC1=C(F)C=CC=C1 5245 [0,0,1,1,0,0|1,0,1]=4 751 B8R1.5 NC1=C(I)C=CC=C1 10573 [0,0,1,1,0,0|1,0,1]=4 752 B8R1.5 NC1=C(N)C=CC=C1 32376 [0,0,1,1,0,0|1,0,1]=4 753 B8R1.5 NC1=C(S)C=CC=C1 5424 [0,0,1,1,0,0|0,1,1]=4 754 B8R1.5 NC1=CC=CN=C1Br 5766 [0,0,1,1,0,0|2,0,0]=4 755 B8R1.5 NC1=CC=CN=C1Cl 1096 [0,0,1,1,0,0|2,0,0]=4 756 B8R1.5 NC1=CC=CN=C1F 1259 [0,0,1,1,0,0|2,0,0]=4 757 B8R1.5 NC1=CC=CN=C1I 9292 [0,0,1,1,0,0|2,0,0]=4 758 B8R1.5 NC1=CC=CN=C1N 1296 [0,0,1,1,0,0|2,0,0]=4 759 B8R1.5 NC1=CC=CN=C1N 5394 [0,0,1,1,0,0|2,0,0]=4 760 B8R1.5 NC1=CC=CN=C1O 1263 [0,0,1,1,0,0|1,0,1]=4 761 B8R1.5 Nc1ccccc1N 23346 [0,0,1,1,0,0|1,0,1]=4 762 B10R2.2 CC1=NC2=C(C=CS2)S1 14385 [0,0,0,1,0,1|1,1,0]=4 763 B10R2.32 O=C1CCC2=C1C=CS2 18363 [0,1,0,1,0,0|2,0,0]=4 764 B10R2.32 O=C1CCC2=C1SC=C2 18321 [0,1,0,1,0,0|1,0,0]=3 765 B8R1.2 C=CC1=NC=CC=C1 23910 [1,0,0,0,0,1|0,0,2]=4 766 B8R1.2 CCC1=NC=NC=C1 23618 [1,0,0,0,0,1|0,0,2]=4 767 B8R1.2 CNC1=CC=CN=C1 14983 [1,0,0,0,0,1|1,0,1]=4 768 B8R1.2 CNC1=CC=NC=C1 12915 [1,0,0,0,0,1|2,0,0]=4 769 B8R1.2 COC1=CC=CC=C1 12830 [1,0,0,0,0,1|2,0,0]=4 770 B8R1.2 COC1=CC=CC=C1 17272 [1,0,0,0,0,1|2,0,0]=4 771 B8R1.2 COC1=CC=CN=C1 15370 [1,0,0,0,0,1|1,0,1]=4 772 B8R1.2 COC1=CC=NC=C1 2585 [1,0,0,0,0,1|2,0,0]=4 773 B8R1.2 COC1=NC=CC=C1 13201 [1,0,0,0,0,1|1,0,1]=4 774 B8R1.2 COC1=NC=CN=C1 8605 [1,0,0,0,0,1|1,0,1]=4 775 B8R1.2 COC1=NC=NC=C1 21029 [1,0,0,0,0,1|1,0,1]=4 776 B8R1.2 CSC1=CC=CC=C1 10578 [1,0,0,0,0,1|2,0,0]=4 777 B8R1.2 CSC1=NC=CC=C1 35938 [1,0,0,0,0,1|1,0,1]=4 778 B8R1.2 CSC1=NC=CN=C1 8604 [1,0,0,0,0,1|1,0,1]=4 779 B8R1.2 O=CC1=CC=CN=C1 1124 [1,0,0,0,0,1|0,0,1]=3 780 B8R1.2 O=CC1=CC=CN=N1 23311 [1,0,0,0,0,1|0,0,1]=3 781 B8R1.2 O=CC1=CC=NC=C1 11745 [1,0,0,0,0,1|1,0,0]=3 782 B8R1.2 O=CC1=CN=CN=C1 5298 [1,0,0,0,0,1|1,0,1]=4 783 B8R1.2 O=CC1=NC=CC=C1 11741 [1,0,0,0,0,1|0,0,1]=3 784 B8R1.2 O=CC1=NC=CC=N1 23190 [1,0,0,0,0,1|0,0,1]=3 785 B8R1.2 O=CC1=NC=CN=C1 32140 [1,0,0,0,0,1|0,0,1]=3 786 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [0,0,0,0,0,2|1,0,0]=3 787 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [0,0,0,0,0,2|0,0,1]=3 788 B10R1.18 CC(=O)NC1=CN=CN=C1 25070 [0,0,0,0,0,2|1,0,1]=4 789 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [0,0,0,0,0,2|1,0,0]=3 790 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [0,0,0,0,0,2|2,0,0]=4 791 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [0,0,0,0,0,2|1,0,1]=4 792 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [0,0,0,0,0,2|2,0,0]=4 793 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [0,0,0,0,0,2|1,0,1]=4 794 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [0,0,0,0,0,2|2,0,0]=4 795 B10R1.18 O=C([O-])CC1=NC=CC=N1 13283 [0,0,0,0,0,2|1,0,1]=4 796 B10R1.66 CC(=O)OCC1=CC=CO1 9970 [0,0,0,0,0,2|1,0,0]=3 797 B10R1.66 O=C(O)CCc1cccs1 23928 [0,0,0,0,0,2|2,0,0]=4 798 B10R1.66 O=C(O)\C=C\C1=CC=CO1 6950 [0,0,0,0,0,2|2,0,0]=4 799 B10R1.66 O=C(O)\C=C\C1=CC=CS1 22898 [0,0,0,0,0,2|2,0,0]=4