0 B7R1.1 BrCC1=CC=NS1 22267 [0,0,0,0,0,0|2,1,1]=4 1 B7R1.1 BrCC1=CN=CO1 16901 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.1 BrCC1=CSC=C1 5295 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.1 BrCC1=NNC=C1 14336 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.1 C#CC1=CC=CS1 16123 [0,0,0,0,0,0|1,1,1]=3 5 B7R1.1 C#CC1=CSC=C1 16122 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 C=CN1C=CN=C1 9440 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.1 CCC1=CC=CS1 5536 [0,0,0,0,0,0|1,1,1]=3 8 B7R1.1 CCC1=NC=CN1 15972 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.1 CCN1C=CC=C1 35829 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.1 CNC1=CC=NN1 7850 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.1 CNC1=NC=CS1 23919 [0,0,0,0,0,0|3,1,0]=4 12 B7R1.1 COC1=CC=CO1 19998 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.1 COC1=CC=CS1 12545 [0,0,0,0,0,0|2,1,0]=3 14 B7R1.1 COC1=CSC=C1 8863 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.1 CSC1=CNC=N1 14136 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.1 CSC1=NC=CO1 24606 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.1 ClCC1=NC=CO1 17601 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.1 ClCC1=NNC=C1 27656 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.1 N#CC1=CC=CO1 6961 [0,0,0,0,0,0|1,0,1]=2 20 B7R1.1 N#CC1=CC=CS1 5215 [0,0,0,0,0,0|1,1,1]=3 21 B7R1.1 N#CC1=CNC=C1 9143 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.1 N#CC1=CNC=N1 18770 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.1 N#CC1=CSC=C1 12351 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.1 N#CC1=CSC=C1 5508 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.1 N#CC1=CSC=N1 35762 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.1 N#CC1=NNC=C1 14331 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.1 N#CC1=NSC=C1 20163 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.1 NCC1=CC=CO1 6967 [0,0,0,0,0,0|1,0,1]=2 29 B7R1.1 NCC1=CC=CS1 22278 [0,0,0,0,0,0|1,1,1]=3 30 B7R1.1 NCC1=CC=CS1 5606 [0,0,0,0,0,0|1,1,1]=3 31 B7R1.1 NCC1=CC=NN1 14846 [0,0,0,0,0,0|3,0,1]=4 32 B7R1.1 NCC1=COC=N1 24611 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.1 NCC1=CSC=C1 12348 [0,0,0,0,0,0|3,0,1]=4 34 B7R1.1 NCC1=NC=CN1 15933 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.1 NCC1=NC=CN1 16027 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.1 NCC1=NC=CN1 16028 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.1 NCC1=NC=CO1 15935 [0,0,0,0,0,0|2,0,1]=3 38 B7R1.1 NCC1=NN=CO1 27736 [0,0,0,0,0,0|3,0,1]=4 39 B7R1.1 NCC1=NOC=C1 15836 [0,0,0,0,0,0|3,0,1]=4 40 B7R1.1 NCc1nccs1 15843 [0,0,0,0,0,0|2,1,1]=4 41 B7R1.1 NNC1=NC=CN1 35367 [0,0,0,0,0,0|4,0,0]=4 42 B7R1.1 O=CC1=CC=CN1 28928 [0,0,0,0,0,0|1,0,0]=1 43 B7R1.1 O=CC1=CC=CN1 9140 [0,0,0,0,0,0|1,0,0]=1 44 B7R1.1 O=CC1=CC=CO1 24739 [0,0,0,0,0,0|0,0,0]=0 45 B7R1.1 O=CC1=CC=CS1 5153 [0,0,0,0,0,0|0,1,0]=1 46 B7R1.1 O=CC1=CN=CS1 14219 [0,0,0,0,0,0|1,1,0]=2 47 B7R1.1 O=CC1=CNC=C1 18051 [0,0,0,0,0,0|2,0,0]=2 48 B7R1.1 O=CC1=CNC=N1 8980 [0,0,0,0,0,0|2,0,0]=2 49 B7R1.1 O=CC1=CNN=C1 23658 [0,0,0,0,0,0|3,0,0]=3 50 B7R1.1 O=CC1=CNN=C1 36037 [0,0,0,0,0,0|3,0,0]=3 51 B7R1.1 O=CC1=CNN=C1 36038 [0,0,0,0,0,0|3,0,0]=3 52 B7R1.1 O=CC1=COC=C1 6948 [0,0,0,0,0,0|2,0,0]=2 53 B7R1.1 O=CC1=CSC=C1 5176 [0,0,0,0,0,0|2,0,0]=2 54 B7R1.1 O=CC1=CSC=N1 13812 [0,0,0,0,0,0|2,0,0]=2 55 B7R1.1 O=CC1=NC=CN1 8045 [0,0,0,0,0,0|2,0,0]=2 56 B7R1.1 O=CC1=NC=CO1 17600 [0,0,0,0,0,0|1,0,0]=1 57 B7R1.1 O=CC1=NC=CS1 9929 [0,0,0,0,0,0|1,1,0]=2 58 B7R1.1 O=CC1=NNC=C1 14337 [0,0,0,0,0,0|2,0,0]=2 59 B7R1.1 O=CC1=NOC=C1 14352 [0,0,0,0,0,0|2,0,0]=2 60 B7R1.1 O=CC1CCCO1 27177 [0,0,0,0,0,0|0,0,4]=4 61 B7R1.1 O=C[C-]1C=CC=C1 18830 [0,0,0,0,0,0|1,0,1]=2 62 B7R1.1 OCC1=CC=CO1 19996 [0,0,0,0,0,0|0,0,2]=2 63 B7R1.1 OCC1=CC=CS1 5603 [0,0,0,0,0,0|0,1,2]=3 64 B7R1.1 OCC1=CC=NO1 24993 [0,0,0,0,0,0|1,0,2]=3 65 B7R1.1 OCC1=CN=CS1 10259 [0,0,0,0,0,0|1,1,2]=4 66 B7R1.1 OCC1=CN=CS1 20003 [0,0,0,0,0,0|1,1,2]=4 67 B7R1.1 OCC1=CNC=N1 9502 [0,0,0,0,0,0|2,0,2]=4 68 B7R1.1 OCC1=COC=C1 6951 [0,0,0,0,0,0|2,0,2]=4 69 B7R1.1 OCC1=CSC=C1 8860 [0,0,0,0,0,0|2,0,2]=4 70 B7R1.1 OCC1=NC=CS1 10257 [0,0,0,0,0,0|1,1,2]=4 71 B7R1.1 OCC1=NNC=C1 14333 [0,0,0,0,0,0|2,0,2]=4 72 B7R1.1 OCC1=NOC=C1 24952 [0,0,0,0,0,0|2,0,2]=4 73 B7R1.1 OCN1C=CC=N1 7853 [0,0,0,0,0,0|2,0,2]=4 74 B7R1.1 SCC1=CC=CO1 10566 [0,0,0,0,0,0|0,1,1]=2 75 B6R1.2 BrC1=CC=CO1 6929 [1,0,0,0,0,0|1,0,0]=2 76 B6R1.2 BrC1=CC=CS1 5313 [1,0,0,0,0,0|1,1,0]=3 77 B6R1.2 BrC1=CC=NO1 14443 [1,0,0,0,0,0|2,0,0]=3 78 B6R1.2 BrC1=CC=NS1 12056 [1,0,0,0,0,0|2,1,0]=4 79 B6R1.2 BrC1=CN=CS1 2077 [1,0,0,0,0,0|2,1,0]=4 80 B6R1.2 BrC1=CNC=N1 9443 [1,0,0,0,0,0|3,0,0]=4 81 B6R1.2 BrC1=COC=C1 8830 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 BrC1=CSC=C1 5306 [1,0,0,0,0,0|3,0,0]=4 83 B6R1.2 BrC1=CSC=N1 4040 [1,0,0,0,0,0|3,0,0]=4 84 B6R1.2 BrC1=NC=CN1 8987 [1,0,0,0,0,0|3,0,0]=4 85 B6R1.2 BrC1=NC=CS1 15748 [1,0,0,0,0,0|2,1,0]=4 86 B6R1.2 BrC1=NNC=C1 22992 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 BrC1=NSC=C1 12058 [1,0,0,0,0,0|3,0,0]=4 88 B6R1.2 Br[C-]1C=CC=C1 36254 [1,0,0,0,0,0|2,0,1]=4 89 B6R1.2 CC1=CC=CO1 11230 [1,0,0,0,0,0|0,0,1]=2 90 B6R1.2 CC1=CC=CS1 5204 [1,0,0,0,0,0|0,1,1]=3 91 B6R1.2 CC1=CC=NN1 10442 [1,0,0,0,0,0|2,0,1]=4 92 B6R1.2 CC1=CC=NO1 8634 [1,0,0,0,0,0|1,0,1]=3 93 B6R1.2 CC1=CC=NS1 45145 [1,0,0,0,0,0|1,1,1]=4 94 B6R1.2 CC1=CNC=C1 13921 [1,0,0,0,0,0|2,0,1]=4 95 B6R1.2 CC1=CNC=N1 7153 [1,0,0,0,0,0|2,0,1]=4 96 B6R1.2 CC1=COC=C1 19993 [1,0,0,0,0,0|2,0,1]=4 97 B6R1.2 CC1=COC=N1 23604 [1,0,0,0,0,0|2,0,1]=4 98 B6R1.2 CC1=CSC=C1 5565 [1,0,0,0,0,0|2,0,1]=4 99 B6R1.2 CC1=CSC=N1 23683 [1,0,0,0,0,0|2,0,1]=4 100 B6R1.2 CC1=NC=CN1 8049 [1,0,0,0,0,0|2,0,1]=4 101 B6R1.2 CC1=NC=CS1 15749 [1,0,0,0,0,0|1,1,1]=4 102 B6R1.2 CC1=NNC=C1 13253 [1,0,0,0,0,0|2,0,1]=4 103 B6R1.2 CN1C=CC=C1 10822 [1,0,0,0,0,0|2,0,1]=4 104 B6R1.2 CN1C=CC=N1 20862 [1,0,0,0,0,0|2,0,1]=4 105 B6R1.2 ClC1=CC=CS1 7376 [1,0,0,0,0,0|1,1,0]=3 106 B6R1.2 ClC1=CSC=C1 5477 [1,0,0,0,0,0|3,0,0]=4 107 B6R1.2 ClC1=NC=CN1 7597 [1,0,0,0,0,0|3,0,0]=4 108 B6R1.2 ClC1=NC=CS1 15569 [1,0,0,0,0,0|2,1,0]=4 109 B6R1.2 ClC1=NNC=C1 23622 [1,0,0,0,0,0|3,0,0]=4 110 B6R1.2 FC1=CN=CN1 13602 [1,0,0,0,0,0|3,0,0]=4 111 B6R1.2 FC1=NC=CN1 13605 [1,0,0,0,0,0|3,0,0]=4 112 B6R1.2 IC1=CC=CS1 5547 [1,0,0,0,0,0|1,1,0]=3 113 B6R1.2 IC1=CN=CS1 27981 [1,0,0,0,0,0|2,1,0]=4 114 B6R1.2 IC1=CNC=N1 7930 [1,0,0,0,0,0|3,0,0]=4 115 B6R1.2 IC1=CSC=C1 16213 [1,0,0,0,0,0|3,0,0]=4 116 B6R1.2 IC1=NC=CN1 9423 [1,0,0,0,0,0|3,0,0]=4 117 B6R1.2 NC1=CC=CN1 13838 [1,0,0,0,0,0|2,0,0]=3 118 B6R1.2 NC1=CC=NO1 24641 [1,0,0,0,0,0|2,0,0]=3 119 B6R1.2 NC1=CC=NS1 24255 [1,0,0,0,0,0|2,1,0]=4 120 B6R1.2 NC1=CN=CS1 17251 [1,0,0,0,0,0|2,1,0]=4 121 B6R1.2 NC1=CN=CS1 20291 [1,0,0,0,0,0|2,1,0]=4 122 B6R1.2 NC1=CNC=N1 19885 [1,0,0,0,0,0|3,0,0]=4 123 B6R1.2 NC1=CSC=C1 14847 [1,0,0,0,0,0|3,0,0]=4 124 B6R1.2 NC1=CSC=C1 25687 [1,0,0,0,0,0|3,0,0]=4 125 B6R1.2 NC1=NC=CN1 23659 [1,0,0,0,0,0|3,0,0]=4 126 B6R1.2 NC1=NC=CN1 8378 [1,0,0,0,0,0|3,0,0]=4 127 B6R1.2 NC1=NC=CS1 20596 [1,0,0,0,0,0|2,1,0]=4 128 B6R1.2 NC1=NNC=C1 11252 [1,0,0,0,0,0|3,0,0]=4 129 B6R1.2 NC1=NNC=C1 17834 [1,0,0,0,0,0|3,0,0]=4 130 B6R1.2 NC1=NOC=C1 8627 [1,0,0,0,0,0|3,0,0]=4 131 B6R1.2 NN1C=CC=C1 12475 [1,0,0,0,0,0|3,0,0]=4 132 B6R1.2 NN1C=CC=C1 23913 [1,0,0,0,0,0|3,0,0]=4 133 B6R1.2 O=C1C=CCC1 9803 [1,0,0,0,0,0|1,0,1]=3 134 B6R1.2 O=C1C=CCN1 23871 [1,0,0,0,0,0|1,0,1]=3 135 B6R1.2 O=C1C=CNN1 23624 [1,0,0,0,0,0|2,0,0]=3 136 B6R1.2 O=C1C=CON1 27643 [1,0,0,0,0,0|2,0,0]=3 137 B6R1.2 O=C1C=CSN1 20292 [1,0,0,0,0,0|2,0,0]=3 138 B6R1.2 O=C1CC=CC1 12654 [1,0,0,0,0,0|1,0,1]=3 139 B6R1.2 O=C1CC=NN1 23623 [1,0,0,0,0,0|2,0,1]=4 140 B6R1.2 O=C1NC=CN1 18114 [1,0,0,0,0,0|2,0,0]=3 141 B6R1.2 O=C1NCCO1 8624 [1,0,0,0,0,0|1,0,2]=4 142 B6R1.2 OC1=CC=NN1 23482 [1,0,0,0,0,0|2,0,1]=4 143 B6R1.2 ON1C=CC=N1 27109 [1,0,0,0,0,0|2,0,1]=4 144 B6R1.2 SC1=CC=CS1 7755 [1,0,0,0,0,0|0,2,0]=3 145 B6R1.2 SC1=NC=CO1 24604 [1,0,0,0,0,0|1,1,0]=3 146 B8R1.1 C#CC1=CC=C(Cl)S1 33779 [0,1,0,0,0,0|1,1,1]=4 147 B8R1.1 CC1=CC(C=O)=CS1 34688 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.1 CC1=CC(C=O)=NO1 11024 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.1 CC1=CC=C(C=O)O1 9971 [0,1,0,0,0,0|0,0,0]=1 150 B8R1.1 CC1=CC=C(C=O)S1 5205 [0,1,0,0,0,0|0,1,0]=2 151 B8R1.1 CC1=CC=C(CN)O1 6995 [0,1,0,0,0,0|1,0,1]=3 152 B8R1.1 CC1=CC=C(CO)O1 9804 [0,1,0,0,0,0|0,0,2]=3 153 B8R1.1 CC1=CSC(C#N)=C1 21327 [0,1,0,0,0,0|1,1,1]=4 154 B8R1.1 CC1=CSC(C=O)=N1 15253 [0,1,0,0,0,0|1,1,0]=3 155 B8R1.1 CC1=NC(C=O)=CS1 15112 [0,1,0,0,0,0|2,0,0]=3 156 B8R1.1 CC1=NNC(C=O)=C1 24109 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.1 CN1C=C(C=O)C=N1 34544 [0,1,0,0,0,0|3,0,0]=4 158 B8R1.1 COC1=CC(N)=NO1 32032 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.1 COC1=CC=C(O)O1 22256 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.1 N#CC1=CC=C(Br)S1 13799 [0,1,0,0,0,0|1,1,1]=4 161 B8R1.1 NC1=NC=C(C=O)S1 8904 [0,1,0,0,0,0|1,1,0]=3 162 B8R1.1 NCC1=CC(Br)=CS1 17856 [0,1,0,0,0,0|1,1,1]=4 163 B8R1.1 O=C1C=C[C@@H](CO)O1 7063 [0,1,0,0,0,0|0,0,3]=4 164 B8R1.1 O=CC1=CC(Br)=CO1 3545 [0,1,0,0,0,0|0,0,0]=1 165 B8R1.1 O=CC1=CC(Br)=CS1 5188 [0,1,0,0,0,0|0,1,0]=2 166 B8R1.1 O=CC1=CC=C(Br)O1 27066 [0,1,0,0,0,0|0,0,0]=1 167 B8R1.1 O=CC1=CC=C(Br)S1 10834 [0,1,0,0,0,0|0,1,0]=2 168 B8R1.1 O=CC1=CC=C(Br)S1 16744 [0,1,0,0,0,0|0,1,0]=2 169 B8R1.1 O=CC1=CC=C(Cl)S1 7742 [0,1,0,0,0,0|0,1,0]=2 170 B8R1.1 O=CC1=CN=C(Br)S1 21412 [0,1,0,0,0,0|1,1,0]=3 171 B8R1.1 O=CC1=CN=C(Cl)S1 24698 [0,1,0,0,0,0|1,1,0]=3 172 B8R1.1 O=CC1=CSC(Br)=C1 20351 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.1 O=CC1=CSC(Br)=N1 8915 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.1 O=CC1=NNC(Br)=C1 23621 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.7 CC(=O)C1=CC=CN1 20915 [0,1,0,0,0,0|1,0,0]=2 176 B8R1.7 CC(=O)C1=CC=CO1 6939 [0,1,0,0,0,0|0,0,0]=1 177 B8R1.7 CC(=O)C1=CC=CS1 5172 [0,1,0,0,0,0|0,1,0]=2 178 B8R1.7 CC(=O)C1=CNC=C1 22508 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.7 CC(=O)C1=CNC=N1 12484 [0,1,0,0,0,0|2,0,0]=3 180 B8R1.7 CC(=O)C1=CNN=C1 30409 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.7 CC(=O)C1=CSC=C1 5220 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.7 CC(=O)C1=NC=CO1 23008 [0,1,0,0,0,0|1,0,0]=2 183 B8R1.7 CC(=O)C1=NC=CS1 9940 [0,1,0,0,0,0|1,1,0]=3 184 B8R1.7 CC(=O)N1C=CC=N1 13397 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.7 CC(=O)N1C=CN=C1 25826 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.7 CC(C)=C1C=CC=C1 35011 [0,1,0,0,0,0|2,0,0]=3 187 B8R1.7 N=C(N)n1cccn1 23612 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.7 NC(=O)C1=NNC=C1 14330 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.7 NC(=O)C1=NNC=N1 26028 [0,1,0,0,0,0|3,0,0]=4 190 B8R1.7 NC(=S)C1=CC=CS1 32072 [0,1,0,0,0,0|0,2,0]=3 191 B8R1.7 O=C(Cl)C1=CC=CO1 19997 [0,1,0,0,0,0|0,0,0]=1 192 B8R1.7 O=C(Cl)C1=CC=CS1 5166 [0,1,0,0,0,0|0,1,0]=2 193 B8R1.7 O=C(Cl)C1=CSC=C1 5597 [0,1,0,0,0,0|2,0,0]=3 194 B8R1.7 O=C(O)C1=CC=CN1 15698 [0,1,0,0,0,0|1,0,0]=2 195 B8R1.7 O=C(O)C1=CC=CO1 6946 [0,1,0,0,0,0|0,0,0]=1 196 B8R1.7 O=C(O)C1=CC=CS1 5157 [0,1,0,0,0,0|0,1,0]=2 197 B8R1.7 O=C(O)C1=CC=NN1 12935 [0,1,0,0,0,0|2,0,0]=3 198 B8R1.7 O=C(O)C1=CC=NN1 35926 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.7 O=C(O)C1=CC=NO1 8643 [0,1,0,0,0,0|1,0,0]=2 200 B8R1.7 O=C(O)C1=CC=NS1 30427 [0,1,0,0,0,0|1,1,0]=3 201 B8R1.7 O=C(O)C1=CN=CN1 9003 [0,1,0,0,0,0|2,0,0]=3 202 B8R1.7 O=C(O)C1=CN=CS1 14533 [0,1,0,0,0,0|1,1,0]=3 203 B8R1.7 O=C(O)C1=CNC=C1 8345 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.7 O=C(O)C1=CNN=C1 13293 [0,1,0,0,0,0|3,0,0]=4 205 B8R1.7 O=C(O)C1=CNN=N1 13727 [0,1,0,0,0,0|3,0,0]=4 206 B8R1.7 O=C(O)C1=COC=C1 6945 [0,1,0,0,0,0|2,0,0]=3 207 B8R1.7 O=C(O)C1=COC=N1 11025 [0,1,0,0,0,0|2,0,0]=3 208 B8R1.7 O=C(O)C1=CON=C1 8775 [0,1,0,0,0,0|3,0,0]=4 209 B8R1.7 O=C(O)C1=CSC=C1 7735 [0,1,0,0,0,0|2,0,0]=3 210 B8R1.7 O=C(O)C1=CSC=N1 35764 [0,1,0,0,0,0|2,0,0]=3 211 B8R1.7 O=C(O)C1=NC=CN1 25373 [0,1,0,0,0,0|2,0,0]=3 212 B8R1.7 O=C(O)C1=NC=CS1 16257 [0,1,0,0,0,0|1,1,0]=3 213 B8R1.7 O=C(O)C1=NN=CS1 18394 [0,1,0,0,0,0|2,1,0]=4 214 B8R1.7 O=C(O)C1=NOC=C1 12341 [0,1,0,0,0,0|2,0,0]=3 215 B8R1.7 O=C(O)C1=NSC=C1 22100 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.7 O=C(O)[C-]1C=CC=C1 10724 [0,1,0,0,0,0|1,0,1]=3 217 B8R1.7 O=C(O)[C@@H]1C=CCN1 13924 [0,1,0,0,0,0|1,0,2]=4 218 B8R1.7 O=C([O-])C1=CC=CS1 32366 [0,1,0,0,0,0|0,1,0]=2 219 B8R1.7 O=[N+]([O-])C1=CC=CS1 5570 [0,1,0,0,0,0|1,1,0]=3 220 B8R1.7 O=[N+]([O-])C1=CC=NN1 8639 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.7 O=[N+]([O-])C1=CNC=C1 22365 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.7 O=[N+]([O-])C1=CNC=N1 7615 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.7 O=[N+]([O-])C1=NC=CN1 7616 [0,1,0,0,0,0|3,0,0]=4 224 B8R1.7 OB(O)C1=CC=CO1 2182 [0,1,0,0,0,0|1,0,1]=3 225 B8R1.7 OB(O)C1=CC=CS1 1883 [0,1,0,0,0,0|1,1,1]=4 226 B8R1.7 OB(O)C1=CC=C[Se]1 17394 [0,1,0,0,0,0|1,1,1]=4 227 B8R1.7 OB(O)C1=CC=NO1 21342 [0,1,0,0,0,0|2,0,1]=4 228 B8R1.7 OB(O)c1ncco1 24188 [0,1,0,0,0,0|2,0,1]=4 229 B8R1.7 S=C(S)C1=CNC=N1 9018 [0,1,0,0,0,0|2,1,0]=4 230 B8R1.8 CNCC1=CC=CS1 22897 [0,1,0,0,0,0|1,1,1]=4 231 B8R1.8 Cl[Mg]CC1=CC=CO1 2072 [0,1,0,0,0,0|1,0,1]=3 232 B8R1.8 N#CCC1=CC=CS1 5590 [0,1,0,0,0,0|1,1,1]=4 233 B8R1.8 NCCC1=CC=CS1 5579 [0,1,0,0,0,0|1,1,1]=4 234 B8R1.8 NCCC1=CC=CS1 8859 [0,1,0,0,0,0|1,1,1]=4 235 B8R1.8 O=CCC1=CC=NO1 24239 [0,1,0,0,0,0|1,0,0]=2 236 B8R1.8 O=CCC1=NOC=C1 24240 [0,1,0,0,0,0|2,0,0]=3 237 B8R1.8 OCCC1=CC=CS1 5581 [0,1,0,0,0,0|0,1,2]=4 238 B8R1.8 O\N=C\C1=CC=CS1 14034 [0,1,0,0,0,0|0,1,1]=3 239 B8R1.11 C=CC1=C(C)N=CS1 23594 [0,1,0,0,0,0|2,1,0]=4 240 B8R1.11 CC1=C(C=O)N=CN1 23016 [0,1,0,0,0,0|2,0,0]=3 241 B8R1.11 CC1=C(C=O)SC=C1 5183 [0,1,0,0,0,0|0,1,0]=2 242 B8R1.11 CC1=C(C=O)SC=C1 9495 [0,1,0,0,0,0|0,1,0]=2 243 B8R1.11 CC1=C(C=O)SC=N1 8419 [0,1,0,0,0,0|1,1,0]=3 244 B8R1.11 CC1=C(C=O)SC=N1 9927 [0,1,0,0,0,0|1,1,0]=3 245 B8R1.11 CC1=NNC=C1C=O 16065 [0,1,0,0,0,0|3,0,0]=4 246 B8R1.11 CN1C=CC=C1C=O 9617 [0,1,0,0,0,0|1,0,0]=2 247 B8R1.11 CN1C=CN=C1C=O 7614 [0,1,0,0,0,0|2,0,0]=3 248 B8R1.11 CN1C=NC=C1C=O 8047 [0,1,0,0,0,0|2,0,0]=3 249 B8R1.11 CN1N=CC=C1C=O 16289 [0,1,0,0,0,0|2,0,0]=3 250 B8R1.11 CN1N=CN=C1C=O 22624 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.11 N#CC1=C(Br)C=CS1 25982 [0,1,0,0,0,0|1,1,1]=4 252 B8R1.11 N#CC1=C(Cl)C=CS1 5447 [0,1,0,0,0,0|1,1,1]=4 253 B8R1.11 N#CC1=CC=CN1N 17833 [0,1,0,0,0,0|2,0,1]=4 254 B8R1.11 O=CC1=C(Br)C=CO1 7803 [0,1,0,0,0,0|0,0,0]=1 255 B8R1.11 O=CC1=C(Br)C=CS1 5327 [0,1,0,0,0,0|0,1,0]=2 256 B8R1.11 O=CC1=C(Br)SC=C1 27355 [0,1,0,0,0,0|2,0,0]=3 257 B8R1.11 O=CC1=C(Cl)C=CS1 21836 [0,1,0,0,0,0|0,1,0]=2 258 B8R1.11 O=CC1=C(Cl)N=CS1 22340 [0,1,0,0,0,0|1,1,0]=3 259 B8R1.11 O=CC1=C(Cl)SC=C1 33642 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.11 O=CC1=C(I)SC=C1 34866 [0,1,0,0,0,0|2,0,0]=3 261 B8R1.11 O=CC1=CSC=C1Br 32438 [0,1,0,0,0,0|2,0,0]=3 262 B6R0.1 CCOC(=O)C=O 27307 [0,0,1,0,0,0|1,0,2]=4 263 B6R0.1 CC\C=C(/C)C=O 36081 [0,0,1,0,0,0|1,0,2]=4 264 B6R0.6 C\C=C\C=C\CO 13747 [0,0,1,0,0,0|1,0,1]=3 265 B8R1.2 BrCC1=CC=CC=C1 13143 [0,0,0,0,0,1|2,0,1]=4 266 B8R1.2 BrCC1=CC=CN=C1 17664 [0,0,0,0,0,1|2,0,1]=4 267 B8R1.2 BrCC1=NC=NC=C1 23940 [0,0,0,0,0,1|2,0,1]=4 268 B8R1.2 C#CC1=CC=CC=C1 15340 [0,0,0,0,0,1|2,0,1]=4 269 B8R1.2 C#CC1=CC=CN=C1 16106 [0,0,0,0,0,1|2,0,1]=4 270 B8R1.2 C#CC1=CC=NC=C1 19527 [0,0,0,0,0,1|2,0,1]=4 271 B8R1.2 C=CC1=NC=CC=C1 23910 [0,0,0,0,0,1|2,0,0]=3 272 B8R1.2 CCC1=NC=NC=C1 23618 [0,0,0,0,0,1|2,0,1]=4 273 B8R1.2 CNC1=CC=CN=C1 14983 [0,0,0,0,0,1|3,0,0]=4 274 B8R1.2 CNC1=CC=NC=C1 12915 [0,0,0,0,0,1|3,0,0]=4 275 B8R1.2 COC1=CC=CC=C1 12830 [0,0,0,0,0,1|3,0,0]=4 276 B8R1.2 COC1=CC=CC=C1 17272 [0,0,0,0,0,1|3,0,0]=4 277 B8R1.2 COC1=CC=CN=C1 15370 [0,0,0,0,0,1|3,0,0]=4 278 B8R1.2 COC1=CC=NC=C1 2585 [0,0,0,0,0,1|3,0,0]=4 279 B8R1.2 COC1=NC=CC=C1 13201 [0,0,0,0,0,1|3,0,0]=4 280 B8R1.2 COC1=NC=CN=C1 8605 [0,0,0,0,0,1|3,0,0]=4 281 B8R1.2 COC1=NC=NC=C1 21029 [0,0,0,0,0,1|3,0,0]=4 282 B8R1.2 CSC1=CC=CC=C1 10578 [0,0,0,0,0,1|3,0,0]=4 283 B8R1.2 CSC1=NC=CC=C1 35938 [0,0,0,0,0,1|3,0,0]=4 284 B8R1.2 CSC1=NC=CN=C1 8604 [0,0,0,0,0,1|3,0,0]=4 285 B8R1.2 ClCC1=CC=CN=C1 9217 [0,0,0,0,0,1|2,0,1]=4 286 B8R1.2 ClCC1=CC=NC=C1 15905 [0,0,0,0,0,1|2,0,1]=4 287 B8R1.2 ClCC1=NC=CC=C1 16732 [0,0,0,0,0,1|2,0,1]=4 288 B8R1.2 ClCC1=NC=CC=C1 36036 [0,0,0,0,0,1|2,0,1]=4 289 B8R1.2 ClCC1=NC=CC=N1 21458 [0,0,0,0,0,1|2,0,1]=4 290 B8R1.2 ClCC1=NC=CC=N1 24800 [0,0,0,0,0,1|2,0,1]=4 291 B8R1.2 ClCC1=NC=CN=C1 32160 [0,0,0,0,0,1|2,0,1]=4 292 B8R1.2 N#CC1=CC=CN=C1 11233 [0,0,0,0,0,1|2,0,1]=4 293 B8R1.2 N#CC1=CC=NC=C1 11155 [0,0,0,0,0,1|2,0,1]=4 294 B8R1.2 N#CC1=NC=CC=C1 6007 [0,0,0,0,0,1|2,0,1]=4 295 B8R1.2 N#CC1=NC=CC=N1 7042 [0,0,0,0,0,1|2,0,1]=4 296 B8R1.2 N#CC1=NC=CN=C1 8603 [0,0,0,0,0,1|2,0,1]=4 297 B8R1.2 N#CC1=NC=NC=C1 21035 [0,0,0,0,0,1|2,0,1]=4 298 B8R1.2 N#Cc1ccccc1 25507 [0,0,0,0,0,1|2,0,1]=4 299 B8R1.2 NCC1=CC=CC=C1 25530 [0,0,0,0,0,1|2,0,1]=4 300 B8R1.2 NCC1=CC=CN=C1 11140 [0,0,0,0,0,1|2,0,1]=4 301 B8R1.2 NCC1=CC=NC=C1 12407 [0,0,0,0,0,1|2,0,1]=4 302 B8R1.2 NCC1=NC=CC=C1 11142 [0,0,0,0,0,1|2,0,1]=4 303 B8R1.2 NCC1=NC=CC=N1 26329 [0,0,0,0,0,1|2,0,1]=4 304 B8R1.2 NCC1=NC=CN=C1 17822 [0,0,0,0,0,1|2,0,1]=4 305 B8R1.2 NNC1=CC=CC=C1 22925 [0,0,0,0,0,1|3,0,0]=4 306 B8R1.2 NNC1=CC=NC=C1 16313 [0,0,0,0,0,1|3,0,0]=4 307 B8R1.2 NNC1=NC=CC=C1 22630 [0,0,0,0,0,1|3,0,0]=4 308 B8R1.2 NNC1=NC=CN=C1 18786 [0,0,0,0,0,1|3,0,0]=4 309 B8R1.2 O=CC1=CC=CN=C1 1124 [0,0,0,0,0,1|1,0,0]=2 310 B8R1.2 O=CC1=CC=CN=N1 23311 [0,0,0,0,0,1|1,0,0]=2 311 B8R1.2 O=CC1=CC=NC=C1 11745 [0,0,0,0,0,1|1,0,0]=2 312 B8R1.2 O=CC1=CN=CN=C1 5298 [0,0,0,0,0,1|2,0,0]=3 313 B8R1.2 O=CC1=NC=CC=C1 11741 [0,0,0,0,0,1|1,0,0]=2 314 B8R1.2 O=CC1=NC=CC=N1 23190 [0,0,0,0,0,1|1,0,0]=2 315 B8R1.2 O=CC1=NC=CN=C1 32140 [0,0,0,0,0,1|1,0,0]=2 316 B8R1.2 OCC1=CC=CN=C1 11736 [0,0,0,0,0,1|1,0,2]=4 317 B8R1.2 OCC1=CC=NC=C1 11738 [0,0,0,0,0,1|1,0,2]=4 318 B8R1.2 OCC1=NC=CC=C1 9301 [0,0,0,0,0,1|1,0,2]=4 319 B8R1.2 OCC1=NC=CC=N1 9757 [0,0,0,0,0,1|1,0,2]=4 320 B8R1.2 OCC1=NC=CN=C1 32128 [0,0,0,0,0,1|1,0,2]=4 321 B8R1.2 OCC1=NC=NC=C1 9756 [0,0,0,0,0,1|1,0,2]=4 322 B8R1.2 SCC1=CC=CC=C1 6835 [0,0,0,0,0,1|1,1,1]=4 323 B8R1.2 SCC1=CC=CN=C1 25049 [0,0,0,0,0,1|1,1,1]=4 324 B8R1.2 SCC1=CC=NC=C1 25053 [0,0,0,0,0,1|1,1,1]=4 325 B8R1.2 SCC1=NC=CC=C1 25013 [0,0,0,0,0,1|1,1,1]=4 326 B8R1.2 SCC1=NC=CN=C1 32116 [0,0,0,0,0,1|1,1,1]=4 327 B5R0.1 O=C(O)\C=C\Cl 35750 [1,0,1,0,0,0|1,0,0]=3 328 B5R0.1 O=C(O)\C=C\I 11671 [1,0,1,0,0,0|1,0,0]=3 329 B5R0.3 C=CC(=O)CBr 13741 [1,0,1,0,0,0|2,0,0]=4 330 B5R0.3 C=CC(=O)CO 32353 [1,0,1,0,0,0|2,0,0]=4 331 B5R1.1 C1=CCOC1 3987 [2,0,0,0,0,0|0,0,2]=4 332 B5R1.1 C1=CNC=C1 16729 [2,0,0,0,0,0|1,0,0]=3 333 B5R1.1 C1=CNC=N1 26201 [2,0,0,0,0,0|2,0,0]=4 334 B5R1.1 C1=CNN=C1 21409 [2,0,0,0,0,0|2,0,0]=4 335 B5R1.1 C1=COC=N1 8626 [2,0,0,0,0,0|1,0,0]=3 336 B5R1.1 C1=COCC1 12854 [2,0,0,0,0,0|0,0,2]=4 337 B5R1.1 C1=CON=C1 8623 [2,0,0,0,0,0|1,0,0]=3 338 B5R1.1 C1=CSC=C1 26881 [2,0,0,0,0,0|0,1,0]=3 339 B5R1.1 C1=CSN=C1 24709 [2,0,0,0,0,0|1,1,0]=4 340 B5R1.1 C1=C[CH-]C=C1 16015 [2,0,0,0,0,0|1,0,0]=3 341 B5R1.1 C1=C[CH-]C=C1 29400 [2,0,0,0,0,0|1,0,0]=3 342 B5R1.1 C1=C[CH-]C=C1 35636 [2,0,0,0,0,0|1,0,0]=3 343 B7R0.4 C\C=C\C=C\C(=O)[O-] 26113 [0,1,1,0,0,0|1,0,0]=3 344 B7R1.2 BrC1=CC=C(Br)O1 20252 [1,1,0,0,0,0|1,0,0]=3 345 B7R1.2 BrC1=CC=C(Br)S1 5512 [1,1,0,0,0,0|1,1,0]=4 346 B7R1.2 BrC1=COC(Br)=C1 15732 [1,1,0,0,0,0|1,0,0]=3 347 B7R1.2 BrC1=CSC(Br)=C1 1908 [1,1,0,0,0,0|1,1,0]=4 348 B7R1.2 CC1=CC(=O)CC1 25608 [1,1,0,0,0,0|1,0,1]=4 349 B7R1.2 CC1=CC(Br)=CS1 5261 [1,1,0,0,0,0|0,1,1]=4 350 B7R1.2 CC1=CC(Br)=NO1 22265 [1,1,0,0,0,0|1,0,1]=4 351 B7R1.2 CC1=CC(C)=NO1 8641 [1,1,0,0,0,0|1,0,1]=4 352 B7R1.2 CC1=CC(N)=NO1 8646 [1,1,0,0,0,0|1,0,1]=4 353 B7R1.2 CC1=CC(O)=NO1 8647 [1,1,0,0,0,0|1,0,1]=4 354 B7R1.2 CC1=CC=C(Br)O1 36047 [1,1,0,0,0,0|0,0,1]=3 355 B7R1.2 CC1=CC=C(Br)S1 5193 [1,1,0,0,0,0|0,1,1]=4 356 B7R1.2 CC1=CC=C(C)S1 5194 [1,1,0,0,0,0|0,1,1]=4 357 B7R1.2 CC1=CC=C(Cl)S1 5197 [1,1,0,0,0,0|0,1,1]=4 358 B7R1.2 CC1=CC=C(I)S1 7417 [1,1,0,0,0,0|0,1,1]=4 359 B7R1.2 CC1=CC=C(O)O1 22254 [1,1,0,0,0,0|0,0,1]=3 360 B7R1.2 CC1=CCC(=O)O1 16859 [1,1,0,0,0,0|0,0,1]=3 361 B7R1.2 CC1=CNC(C)=C1 24003 [1,1,0,0,0,0|1,0,1]=4 362 B7R1.2 CC1=COC(C)=N1 8635 [1,1,0,0,0,0|1,0,1]=4 363 B7R1.2 CC1=COC(O)=C1 22255 [1,1,0,0,0,0|0,0,1]=3 364 B7R1.2 CC1=NOC(=O)N1 22560 [1,1,0,0,0,0|2,0,0]=4 365 B7R1.2 CC1=NOC(Br)=C1 22269 [1,1,0,0,0,0|2,0,0]=4 366 B7R1.2 ClC1=CC=C(Br)S1 5279 [1,1,0,0,0,0|1,1,0]=4 367 B7R1.2 ClC1=CC=C(Cl)S1 5521 [1,1,0,0,0,0|1,1,0]=4 368 B7R1.2 ClC1=CC=C(I)S1 34437 [1,1,0,0,0,0|1,1,0]=4 369 B7R1.2 IC1=CC=C(I)S1 5529 [1,1,0,0,0,0|1,1,0]=4 370 B7R1.2 O=C1C=C(O)CO1 21770 [1,1,0,0,0,0|0,0,1]=3 371 B7R1.2 O=C1C=CC(=O)O1 16845 [1,1,0,0,0,0|0,0,0]=2 372 B7R1.2 O=C1C=CC(O)C1 27265 [1,1,0,0,0,0|1,0,1]=4 373 B7R1.2 O=C1C=CC(O)O1 25366 [1,1,0,0,0,0|0,0,1]=3 374 B7R1.2 O=C1CCC(=O)O1 21337 [1,1,0,0,0,0|0,0,2]=4 375 B7R1.2 OC1=CC=C(O)O1 22253 [1,1,0,0,0,0|0,0,1]=3 376 B7R1.4 BrC1=C(Br)SC=C1 5511 [1,1,0,0,0,0|1,1,0]=4 377 B7R1.4 CC1=C(Br)SC=C1 5191 [1,1,0,0,0,0|1,1,0]=4 378 B7R1.4 CC1=C(C)SC=C1 7751 [1,1,0,0,0,0|0,1,1]=4 379 B7R1.4 CC1=C(Cl)SC=C1 5164 [1,1,0,0,0,0|1,1,0]=4 380 B7R1.4 CC1=C(N)ON=C1 19884 [1,1,0,0,0,0|2,0,0]=4 381 B7R1.4 CC1=C(S)C=CO1 7060 [1,1,0,0,0,0|0,0,1]=3 382 B7R1.4 CC1=C(S)C=CO1 9968 [1,1,0,0,0,0|0,0,1]=3 383 B7R1.4 ClC1=C(Br)C=CS1 5259 [1,1,0,0,0,0|1,1,0]=4 384 B7R1.4 ClC1=C(Br)SC=C1 33539 [1,1,0,0,0,0|1,1,0]=4 385 B7R1.4 ClC1=C(Cl)SC=C1 15351 [1,1,0,0,0,0|1,1,0]=4 386 B7R1.4 OC1=C(O)OC=C1 22257 [1,1,0,0,0,0|0,0,1]=3 387 B9R1.1 C=CC1=CC=C(Cl)C=C1 12659 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.1 C=CC1=CC=C(N)C=C1 12625 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.1 C=CC1=CC=C(N)C=N1 26083 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.1 C=CC1=CN=C(Br)C=C1 27635 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.1 C=CC1=CN=C(C)C=C1 15153 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.1 CC1=CC=C(C=O)C=C1 15497 [0,1,0,0,0,1|1,0,0]=3 393 B9R1.1 CC1=CN=C(C=O)C=C1 17169 [0,1,0,0,0,1|1,0,0]=3 394 B9R1.1 CC1=CN=C(C=O)C=N1 32176 [0,1,0,0,0,1|1,0,0]=3 395 B9R1.1 CC1=NC=C(C=O)C=C1 19463 [0,1,0,0,0,1|1,0,0]=3 396 B9R1.1 NC1=CC=C(C=O)C=C1 7795 [0,1,0,0,0,1|1,0,0]=3 397 B9R1.1 NC1=NC=C(C=O)C=N1 27597 [0,1,0,0,0,1|2,0,0]=4 398 B9R1.1 O=CC1=CC=C(Br)C=C1 8053 [0,1,0,0,0,1|1,0,0]=3 399 B9R1.1 O=CC1=CC=C(Cl)C=C1 8078 [0,1,0,0,0,1|1,0,0]=3 400 B9R1.1 O=CC1=CC=C(Cl)N=C1 23354 [0,1,0,0,0,1|1,0,0]=3 401 B9R1.1 O=CC1=CC=C(F)C=C1 3478 [0,1,0,0,0,1|1,0,0]=3 402 B9R1.1 O=CC1=CC=C(I)C=C1 5349 [0,1,0,0,0,1|1,0,0]=3 403 B9R1.1 O=CC1=CC=C(O)C=C1 10188 [0,1,0,0,0,1|1,0,0]=3 404 B9R1.1 O=CC1=CN=C(Br)C=C1 1181 [0,1,0,0,0,1|1,0,0]=3 405 B9R1.1 O=CC1=CN=C(Cl)C=C1 9221 [0,1,0,0,0,1|1,0,0]=3 406 B9R1.1 O=CC1=CN=C(Cl)N=C1 23896 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.1 O=CC1=CN=C(F)C=C1 5150 [0,1,0,0,0,1|1,0,0]=3 408 B9R1.1 O=CC1=CN=C(O)C=C1 17127 [0,1,0,0,0,1|1,0,0]=3 409 B9R1.1 O=CC1=NC=C(Br)C=C1 5059 [0,1,0,0,0,1|1,0,0]=3 410 B9R1.1 O=CC1=NC=C(Cl)C=C1 17153 [0,1,0,0,0,1|1,0,0]=3 411 B9R1.1 O=CC1=NC=C(F)C=C1 5149 [0,1,0,0,0,1|1,0,0]=3 412 B9R1.1 O=CC1=NC=C(O)C=C1 33708 [0,1,0,0,0,1|1,0,0]=3 413 B9R1.2 C=CC1=CC(Br)=CC=C1 23859 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.2 C=CC1=CC=CC(C)=N1 25969 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.2 CC1=CC(C=O)=CC=C1 15513 [0,1,0,0,0,1|1,0,0]=3 416 B9R1.2 CC1=CC(C=O)=NC=C1 17166 [0,1,0,0,0,1|1,0,0]=3 417 B9R1.2 CC1=CC=CC(C=O)=N1 15904 [0,1,0,0,0,1|1,0,0]=3 418 B9R1.2 CC1=NC=CC(C=O)=N1 21493 [0,1,0,0,0,1|1,0,0]=3 419 B9R1.2 O=CC1=CC(Br)=CC=C1 3728 [0,1,0,0,0,1|1,0,0]=3 420 B9R1.2 O=CC1=CC(Br)=CN=C1 7706 [0,1,0,0,0,1|1,0,0]=3 421 B9R1.2 O=CC1=CC(Br)=NC=C1 5075 [0,1,0,0,0,1|1,0,0]=3 422 B9R1.2 O=CC1=CC(Cl)=CC=C1 10800 [0,1,0,0,0,1|1,0,0]=3 423 B9R1.2 O=CC1=CC(Cl)=NC=C1 5099 [0,1,0,0,0,1|1,0,0]=3 424 B9R1.2 O=CC1=CC(F)=CC=C1 3477 [0,1,0,0,0,1|1,0,0]=3 425 B9R1.2 O=CC1=CC(F)=NC=C1 17094 [0,1,0,0,0,1|1,0,0]=3 426 B9R1.2 O=CC1=CC(I)=CC=C1 3917 [0,1,0,0,0,1|1,0,0]=3 427 B9R1.2 O=CC1=CC(O)=CC=C1 7767 [0,1,0,0,0,1|1,0,0]=3 428 B9R1.2 O=CC1=CC(O)=CN=C1 23673 [0,1,0,0,0,1|1,0,0]=3 429 B9R1.2 O=CC1=CC(O)=NC=C1 9345 [0,1,0,0,0,1|1,0,0]=3 430 B9R1.2 O=CC1=CC=CC(F)=N1 15245 [0,1,0,0,0,1|1,0,0]=3 431 B9R1.2 O=CC1=CN=CC(Br)=C1 16604 [0,1,0,0,0,1|1,0,0]=3 432 B9R1.2 O=CC1=CN=CC(Cl)=C1 16702 [0,1,0,0,0,1|1,0,0]=3 433 B9R1.2 O=CC1=CN=CC(F)=C1 5151 [0,1,0,0,0,1|1,0,0]=3 434 B9R1.2 O=CC1=CN=CC(I)=C1 16653 [0,1,0,0,0,1|1,0,0]=3 435 B9R1.2 O=CC1=NC(Br)=CC=C1 3196 [0,1,0,0,0,1|1,0,0]=3 436 B9R1.2 O=CC1=NC(Br)=CC=C1 9209 [0,1,0,0,0,1|1,0,0]=3 437 B9R1.2 O=CC1=NC(Cl)=CC=C1 13323 [0,1,0,0,0,1|1,0,0]=3 438 B9R1.2 O=CC1=NC(Cl)=CN=C1 32134 [0,1,0,0,0,1|1,0,0]=3 439 B9R1.2 O=CC1=NC=CC(Cl)=C1 24779 [0,1,0,0,0,1|1,0,0]=3 440 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [0,1,0,0,0,1|1,0,0]=3 441 B9R1.6 CC(=O)C1=CC=CN=N1 16091 [0,1,0,0,0,1|1,0,0]=3 442 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [0,1,0,0,0,1|1,0,0]=3 443 B9R1.6 CC(=O)C1=CN=CN=C1 13185 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [0,1,0,0,0,1|1,0,0]=3 445 B9R1.6 CC(=O)C1=NC=CC=N1 19777 [0,1,0,0,0,1|1,0,0]=3 446 B9R1.6 CC(=O)C1=NC=CN=C1 8542 [0,1,0,0,0,1|1,0,0]=3 447 B9R1.6 CC(=O)C1=NC=NC=C1 33412 [0,1,0,0,0,1|1,0,0]=3 448 B9R1.6 N=C(N)C1=CC=CN=C1 17590 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.6 N=C(N)C1=CC=C[NH+]=C1 16743 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.6 N=C(N)C1=CC=NC=C1 17463 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.6 N=C(N)C1=NC=CC=C1 20227 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.6 N=C(N)C1=NC=CN=C1 8599 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [0,1,0,0,0,1|1,0,0]=3 454 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [0,1,0,0,0,1|1,1,0]=4 455 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [0,1,0,0,0,1|1,1,0]=4 456 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [0,1,0,0,0,1|1,0,0]=3 457 B9R1.6 O=C(Cl)C1=CC=NC=C1 23974 [0,1,0,0,0,1|1,0,0]=3 458 B9R1.6 O=C(Cl)C1=CN=CC=C1 15186 [0,1,0,0,0,1|1,0,0]=3 459 B9R1.6 O=C(Cl)C1=CN=CN=C1 25063 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [0,1,0,0,0,1|1,0,0]=3 461 B9R1.6 O=C(Cl)C1=NC=NC=C1 15402 [0,1,0,0,0,1|1,0,0]=3 462 B9R1.6 O=C(O)C1=CC=CN=N1 22109 [0,1,0,0,0,1|1,0,0]=3 463 B9R1.6 O=C(O)C1=CC=NC=C1 2595 [0,1,0,0,0,1|1,0,0]=3 464 B9R1.6 O=C(O)C1=CCCCO1 19588 [0,1,0,0,0,1|0,0,2]=4 465 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [0,1,0,0,0,1|1,0,0]=3 466 B9R1.6 O=C(O)C1=CN=CN=C1 2056 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.6 O=C(O)C1=CN=NC=C1 9501 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [0,1,0,0,0,1|1,0,0]=3 469 B9R1.6 O=C(O)C1=NC=CC=N1 9603 [0,1,0,0,0,1|1,0,0]=3 470 B9R1.6 O=C(O)C1=NC=CN=C1 8602 [0,1,0,0,0,1|1,0,0]=3 471 B9R1.6 O=C(O)C1=NC=NC=C1 5297 [0,1,0,0,0,1|1,0,0]=3 472 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [0,1,0,0,0,1|1,0,0]=3 473 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 6646 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [0,1,0,0,0,1|1,0,1]=4 475 B9R1.8 C=CCC1=CC=CC=C1 29358 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.8 C=CSC1=CC=CC=C1 10778 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.8 O=C=NC1=CC=CN=C1 14441 [0,1,0,0,0,1|1,0,1]=4 478 B9R1.15 C=CC1=C(Br)C=CC=C1 23975 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.15 CC1=C(C=O)C=CC=N1 24064 [0,1,0,0,0,1|1,0,0]=3 480 B9R1.15 CC1=CC=CC=C1C=O 15511 [0,1,0,0,0,1|1,0,0]=3 481 B9R1.15 CC1=CC=CN=C1C=O 17165 [0,1,0,0,0,1|1,0,0]=3 482 B9R1.15 CC1=CC=NC=C1C=O 18427 [0,1,0,0,0,1|1,0,0]=3 483 B9R1.15 NC1=C(C=O)C=CC=C1 15692 [0,1,0,0,0,1|1,0,0]=3 484 B9R1.15 NC1=C(C=O)C=CN=C1 26765 [0,1,0,0,0,1|1,0,0]=3 485 B9R1.15 NC1=C(C=O)C=NC=C1 7681 [0,1,0,0,0,1|1,0,0]=3 486 B9R1.15 NC1=CC=CN=C1C=O 7680 [0,1,0,0,0,1|1,0,0]=3 487 B9R1.15 NC1=NC=CC=C1C=O 1262 [0,1,0,0,0,1|1,0,0]=3 488 B9R1.15 O=CC1=C(Br)C=CC=C1 3727 [0,1,0,0,0,1|1,0,0]=3 489 B9R1.15 O=CC1=C(Br)C=CN=C1 5061 [0,1,0,0,0,1|1,0,0]=3 490 B9R1.15 O=CC1=C(Br)C=NC=C1 5063 [0,1,0,0,0,1|1,0,0]=3 491 B9R1.15 O=CC1=C(Cl)C=CN=C1 7359 [0,1,0,0,0,1|1,0,0]=3 492 B9R1.15 O=CC1=C(Cl)C=NC=C1 25431 [0,1,0,0,0,1|1,0,0]=3 493 B9R1.15 O=CC1=C(F)C=CC=C1 3476 [0,1,0,0,0,1|1,0,0]=3 494 B9R1.15 O=CC1=C(F)C=NC=C1 5137 [0,1,0,0,0,1|1,0,0]=3 495 B9R1.15 O=CC1=C(I)C=CC=C1 3914 [0,1,0,0,0,1|1,0,0]=3 496 B9R1.15 O=CC1=C(O)C=NC=C1 33398 [0,1,0,0,0,1|1,0,0]=3 497 B9R1.15 O=CC1=C(O)N=CC=C1 17177 [0,1,0,0,0,1|1,0,0]=3 498 B9R1.15 O=CC1=CC=CN=C1Br 5057 [0,1,0,0,0,1|1,0,0]=3 499 B9R1.15 O=CC1=CC=CN=C1Cl 31630 [0,1,0,0,0,1|1,0,0]=3 500 B9R1.15 O=CC1=CC=CN=C1Cl 5097 [0,1,0,0,0,1|1,0,0]=3 501 B9R1.15 O=CC1=CC=CN=C1F 5131 [0,1,0,0,0,1|1,0,0]=3 502 B9R1.15 O=CC1=NC=CC=C1Br 15122 [0,1,0,0,0,1|1,0,0]=3 503 B9R1.15 O=CC1=NC=CC=C1Cl 17163 [0,1,0,0,0,1|1,0,0]=3 504 B9R1.15 O=CC1=NC=CC=C1F 5142 [0,1,0,0,0,1|1,0,0]=3 505 B9R1.15 O=CC1=NC=CC=C1O 12415 [0,1,0,0,0,1|1,0,0]=3 506 B9R1.15 O=CC1=NC=CN=C1Cl 32137 [0,1,0,0,0,1|1,0,0]=3 507 B9R1.15 O=CC1=NC=NC=C1Br 21031 [0,1,0,0,0,1|1,0,0]=3 508 B9R1.21 COC1=NC=C(C=O)S1 34880 [0,2,0,0,0,0|1,1,0]=4 509 B9R1.21 N#CC1=CC=C(CN)O1 16570 [0,2,0,0,0,0|1,0,1]=4 510 B9R1.21 N#CC1=CC=C(CN)O1 16572 [0,2,0,0,0,0|1,0,1]=4 511 B9R1.21 N#CC1=COC(CN)=C1 16574 [0,2,0,0,0,0|1,0,1]=4 512 B9R1.21 N#CC1=COC(CN)=C1 16577 [0,2,0,0,0,0|1,0,1]=4 513 B9R1.21 O=CC1=CC=C(C=O)O1 22669 [0,2,0,0,0,0|0,0,0]=2 514 B9R1.21 O=CC1=CC=C(CCl)O1 23444 [0,2,0,0,0,0|0,0,0]=2 515 B9R1.21 O=CC1=CC=C(CO)O1 35936 [0,2,0,0,0,0|0,0,0]=2 516 B9R1.21 OCC1=CC=C(CO)O1 19995 [0,2,0,0,0,0|0,0,2]=4 517 B9R1.22 CC1=CC(C)=C(C=O)N1 2127 [0,2,0,0,0,0|1,0,0]=3 518 B9R1.22 CC1=NN(C)C(C=O)=C1 27254 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.22 CN1C=C(Br)C(C=O)=N1 23668 [0,2,0,0,0,0|2,0,0]=4 520 B9R1.22 CN1C=C(I)C(C=O)=N1 23667 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.22 NC1=NC(Cl)=C(C=O)S1 8892 [0,2,0,0,0,0|1,1,0]=4 522 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 18196 [0,2,0,0,0,0|1,1,0]=4 523 B9R1.23 CC1=C(C)SC(C=O)=C1 20559 [0,2,0,0,0,0|0,1,0]=3 524 B9R1.23 O=CC1=CC(Br)=C(Br)O1 4061 [0,2,0,0,0,0|0,0,0]=2 525 B9R1.35 CC(=O)C1=CC(C)=CS1 5214 [0,2,0,0,0,0|0,1,0]=3 526 B9R1.35 CC(=O)C1=CC(C)=NO1 24234 [0,2,0,0,0,0|1,0,0]=3 527 B9R1.35 CC(=O)C1=CC(Cl)=CS1 44706 [0,2,0,0,0,0|0,1,0]=3 528 B9R1.35 CC(=O)C1=CC=C(Br)S1 5219 [0,2,0,0,0,0|0,1,0]=3 529 B9R1.35 CC(=O)C1=CC=C(C)O1 6971 [0,2,0,0,0,0|0,0,0]=2 530 B9R1.35 CC(=O)C1=CC=C(C)S1 5212 [0,2,0,0,0,0|0,1,0]=3 531 B9R1.35 CC(=O)C1=CC=C(Cl)S1 2614 [0,2,0,0,0,0|0,1,0]=3 532 B9R1.35 CC(=O)C1=CSC(Cl)=C1 24099 [0,2,0,0,0,0|2,0,0]=4 533 B9R1.35 CC1=CC(C(=O)O)=NO1 15552 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.35 CC1=CC=C(B(O)O)O1 17393 [0,2,0,0,0,0|1,0,1]=4 535 B9R1.35 CC1=CC=C(C(=O)O)S1 5206 [0,2,0,0,0,0|0,1,0]=3 536 B9R1.35 CC1=CN=C(C(=O)O)S1 23003 [0,2,0,0,0,0|1,1,0]=4 537 B9R1.35 CC1=CNC(C(=O)O)=C1 13375 [0,2,0,0,0,0|1,0,0]=3 538 B9R1.35 CC1=CSC(C(=O)O)=C1 9431 [0,2,0,0,0,0|0,1,0]=3 539 B9R1.35 CC1=NC=C(C(=O)O)S1 22287 [0,2,0,0,0,0|1,1,0]=4 540 B9R1.35 CC1=NN=C(C(=O)[O-])O1 27297 [0,2,0,0,0,0|2,0,0]=4 541 B9R1.35 CC1=NNC(C(=O)O)=C1 7842 [0,2,0,0,0,0|2,0,0]=4 542 B9R1.35 CN1C=CC(C(=O)O)=C1 25790 [0,2,0,0,0,0|2,0,0]=4 543 B9R1.35 CN1C=CC(C(N)=O)=N1 24146 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.35 CN1C=NC(C(=O)O)=C1 9001 [0,2,0,0,0,0|2,0,0]=4 545 B9R1.35 NC(=O)C1=CC=C(Br)N1 24946 [0,2,0,0,0,0|1,0,0]=3 546 B9R1.35 NC(=O)C1=CN=C(Br)S1 34305 [0,2,0,0,0,0|1,1,0]=4 547 B9R1.35 NC1=NC(C(=O)O)=CO1 19787 [0,2,0,0,0,0|2,0,0]=4 548 B9R1.35 NC1=NC(C(=O)O)=CS1 8903 [0,2,0,0,0,0|2,0,0]=4 549 B9R1.35 NC1=NC(C(=O)O)=CS1 9934 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.35 NC1=NC=C(C(=O)O)S1 21384 [0,2,0,0,0,0|1,1,0]=4 551 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 10452 [0,2,0,0,0,0|0,0,0]=2 552 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 16132 [0,2,0,0,0,0|0,1,0]=3 553 B9R1.35 O=C(O)C1=CC(Br)=CS1 5189 [0,2,0,0,0,0|0,1,0]=3 554 B9R1.35 O=C(O)C1=CC(Br)=NO1 17690 [0,2,0,0,0,0|1,0,0]=3 555 B9R1.35 O=C(O)C1=CC(O)=NO1 24875 [0,2,0,0,0,0|1,0,0]=3 556 B9R1.35 O=C(O)C1=CC=C(Br)S1 7368 [0,2,0,0,0,0|0,1,0]=3 557 B9R1.35 O=C(O)C1=CC=C(Cl)O1 31597 [0,2,0,0,0,0|0,0,0]=2 558 B9R1.35 O=C(O)C1=CC=C(Cl)S1 7380 [0,2,0,0,0,0|0,1,0]=3 559 B9R1.35 O=C(O)C1=CN=C(Br)S1 15963 [0,2,0,0,0,0|1,1,0]=4 560 B9R1.35 O=C(O)C1=CN=C(Cl)S1 32212 [0,2,0,0,0,0|1,1,0]=4 561 B9R1.35 O=C(O)C1=CSC(Br)=N1 22900 [0,2,0,0,0,0|2,0,0]=4 562 B9R1.35 O=C(O)C1=NNC(Cl)=C1 23727 [0,2,0,0,0,0|2,0,0]=4 563 B9R1.35 O=[N+]([O-])C1=CC=C(Br)S1 5283 [0,2,0,0,0,0|1,1,0]=4 564 B9R1.132 CC1=NC=C(C=O)N1C 35311 [0,2,0,0,0,0|2,0,0]=4 565 B9R1.132 O=CC1=C(Br)C(Br)=CS1 27983 [0,2,0,0,0,0|0,1,0]=3 566 B9R1.11 CCC(=O)C1=CC=CS1 12618 [0,2,0,0,0,0|0,1,0]=3 567 B9R1.11 COC(=O)C1=CC=CN1 9141 [0,2,0,0,0,0|1,0,0]=3 568 B9R1.11 COC(=O)C1=CC=CO1 7090 [0,2,0,0,0,0|0,0,0]=2 569 B9R1.11 COC(=O)C1=CC=CS1 19955 [0,2,0,0,0,0|0,1,0]=3 570 B9R1.11 COC(=O)C1=CN=CS1 17249 [0,2,0,0,0,0|1,1,0]=4 571 B9R1.11 COC(=O)C1=CNC=C1 22507 [0,2,0,0,0,0|2,0,0]=4 572 B9R1.11 COC(=O)C1=CNC=N1 16142 [0,2,0,0,0,0|2,0,0]=4 573 B9R1.11 COC(=O)C1=CSC=N1 15784 [0,2,0,0,0,0|2,0,0]=4 574 B9R1.11 COC(=O)C1=NC=CN1 23680 [0,2,0,0,0,0|2,0,0]=4 575 B9R1.11 COC(=O)C1=NNC=C1 14332 [0,2,0,0,0,0|2,0,0]=4 576 B9R1.11 NNC(=O)C1=CC=CO1 32208 [0,2,0,0,0,0|0,0,0]=2 577 B9R1.11 NNC(=O)C1=CC=CS1 5213 [0,2,0,0,0,0|0,1,0]=3 578 B9R1.11 O=C(CBr)C1=CC=CS1 10129 [0,2,0,0,0,0|0,1,0]=3 579 B9R1.19 F[B-](F)(F)C1=CC=CO1 45029 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.19 NS(=O)(=O)C1=CC=CS1 12992 [0,2,0,0,0,0|1,1,0]=4 581 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 7737 [0,2,0,0,0,0|1,1,0]=4 582 B9R1.41 CC(=O)C1=C(Br)C=CS1 7280 [0,2,0,0,0,0|0,1,0]=3 583 B9R1.41 CC(=O)C1=C(C)C=CS1 5186 [0,2,0,0,0,0|0,1,0]=3 584 B9R1.41 CC(=O)C1=C(C)N=CS1 33350 [0,2,0,0,0,0|1,1,0]=4 585 B9R1.41 CC(=O)C1=C(I)C=CS1 34469 [0,2,0,0,0,0|0,1,0]=3 586 B9R1.41 CC(=O)C1=C(N)C=CS1 20830 [0,2,0,0,0,0|0,1,0]=3 587 B9R1.41 CC(=O)C1=CC=CN1C 27052 [0,2,0,0,0,0|1,0,0]=3 588 B9R1.41 CC(=O)C1=CC=NN1C 22711 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.41 CC(=O)C1=CNC=C1C 22818 [0,2,0,0,0,0|2,0,0]=4 590 B9R1.41 CC(=O)N1CC=CC1=O 18628 [0,2,0,0,0,0|2,0,0]=4 591 B9R1.41 CC1=C(C(=O)Cl)SC=C1 5561 [0,2,0,0,0,0|0,1,0]=3 592 B9R1.41 CC1=C(C(=O)O)SC=C1 5182 [0,2,0,0,0,0|0,1,0]=3 593 B9R1.41 CC1=C(C(=O)O)SC=N1 8416 [0,2,0,0,0,0|1,1,0]=4 594 B9R1.41 CC1=C(C(N)=O)SC=C1 16135 [0,2,0,0,0,0|0,1,0]=3 595 B9R1.41 CC1=CNN=C1C(=O)O 19201 [0,2,0,0,0,0|2,0,0]=4 596 B9R1.41 CC1=CSC=C1C(=O)O 24253 [0,2,0,0,0,0|2,0,0]=4 597 B9R1.41 CN1C=CC=C1C(=O)O 9181 [0,2,0,0,0,0|1,0,0]=3 598 B9R1.41 CN1C=CN=C1C(=O)O 8048 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.41 CN1C=NC=C1C(=O)O 20954 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.41 CN1N=CC=C1C(=O)O 16306 [0,2,0,0,0,0|2,0,0]=4 601 B9R1.41 NC(=O)C1=C(Br)C=CS1 16136 [0,2,0,0,0,0|0,1,0]=3 602 B9R1.41 NC(=O)C1=C(N)C=CS1 5242 [0,2,0,0,0,0|0,1,0]=3 603 B9R1.41 NC(=O)C1=C(N)N=CN1 26011 [0,2,0,0,0,0|2,0,0]=4 604 B9R1.41 NC(=O)C1=C(N)NC=N1 14475 [0,2,0,0,0,0|2,0,0]=4 605 B9R1.41 NC(=O)C1=C(N)NC=N1 9129 [0,2,0,0,0,0|2,0,0]=4 606 B9R1.41 NC(=O)C1=C(N)OC=N1 14695 [0,2,0,0,0,0|2,0,0]=4 607 B9R1.41 NC(=O)C1=C(N)SC=N1 25297 [0,2,0,0,0,0|2,0,0]=4 608 B9R1.41 NC(=O)C1=C(O)NC=N1 13970 [0,2,0,0,0,0|2,0,0]=4 609 B9R1.41 NC(=O)C1=CC=CN1N 22288 [0,2,0,0,0,0|1,0,0]=3 610 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 5480 [0,2,0,0,0,0|0,1,0]=3 611 B9R1.41 O=C(O)C1=C(Br)C=CS1 10096 [0,2,0,0,0,0|0,1,0]=3 612 B9R1.41 O=C(O)C1=C(Br)SC=C1 32434 [0,2,0,0,0,0|2,0,0]=4 613 B9R1.41 O=C(O)C1=C(Br)SC=N1 8916 [0,2,0,0,0,0|2,0,0]=4 614 B9R1.41 O=C(O)C1=C(Cl)C=CS1 5491 [0,2,0,0,0,0|0,1,0]=3 615 B9R1.41 O=C(O)C1=C(Cl)SC=C1 32436 [0,2,0,0,0,0|2,0,0]=4 616 B9R1.41 O=C(O)C1=CSC=C1Br 33364 [0,2,0,0,0,0|2,0,0]=4 617 B9R1.41 O=[N+]([O-])C1=C(Br)C=CS1 15352 [0,2,0,0,0,0|1,1,0]=4 618 B9R1.12 O=C\C=C\C1=CC=CO1 6949 [0,2,0,0,0,0|0,0,0]=2 619 B9R1.13 CC(=O)NC1=CC=CS1 5216 [0,2,0,0,0,0|0,1,0]=3 620 B9R1.13 CC(=O)NC1=NC=CS1 35618 [0,2,0,0,0,0|1,1,0]=4 621 B9R1.13 O=C(Cl)CC1=CC=CS1 5578 [0,2,0,0,0,0|0,1,0]=3 622 B9R1.13 O=C(O)CC1=CC=CO1 17310 [0,2,0,0,0,0|0,0,0]=2 623 B9R1.13 O=C(O)CC1=CC=CS1 5168 [0,2,0,0,0,0|0,1,0]=3 624 B9R1.13 O=C(O)CC1=CSC=C1 5586 [0,2,0,0,0,0|2,0,0]=4 625 B9R1.13 O=C(O)CC1=NC=CN1 18001 [0,2,0,0,0,0|2,0,0]=4 626 B9R1.14 CCN1C=CN=C1C=O 24824 [0,2,0,0,0,0|2,0,0]=4 627 B9R1.14 COC1=C(C=O)OC=C1 31930 [0,2,0,0,0,0|0,0,0]=2 628 B9R1.14 COC1=C(C=O)SC=C1 35392 [0,2,0,0,0,0|0,1,0]=3 629 B9R1.14 O=CC1=C(C=O)SC=C1 18121 [0,2,0,0,0,0|0,1,0]=3 630 B9R1.27 CN1C=NC(Br)=C1C=O 8050 [0,2,0,0,0,0|2,0,0]=4 631 B9R1.27 CN1C=NC(I)=C1C=O 8953 [0,2,0,0,0,0|2,0,0]=4 632 B7R1.3 BrC1=CC=CN=C1 2571 [0,0,1,1,0,0|2,0,0]=4 633 B7R1.3 ClC1=CC=CN=C1 2576 [0,0,1,1,0,0|2,0,0]=4 634 B7R1.3 FC1=CC=CC=C1 29401 [0,0,1,1,0,0|2,0,0]=4 635 B7R1.3 FC1=CC=CN=C1 1095 [0,0,1,1,0,0|2,0,0]=4 636 B7R1.3 IC1=CC=CC=C1 2143 [0,0,1,1,0,0|2,0,0]=4 637 B7R1.3 IC1=CC=CC=C1 3921 [0,0,1,1,0,0|2,0,0]=4 638 B7R1.3 IC1=CC=CN=C1 6634 [0,0,1,1,0,0|2,0,0]=4 639 B7R1.3 NC1=CC=CN=C1 2569 [0,0,1,1,0,0|2,0,0]=4 640 B7R1.3 OC1=CC=CN=C1 2568 [0,0,1,1,0,0|1,0,0]=3 641 B7R1.3 OC1=CC=NC=C1 1116 [0,0,1,1,0,0|2,0,0]=4 642 B7R1.3 OC1=CN=CN=C1 20799 [0,0,1,1,0,0|2,0,0]=4 643 B7R1.3 OC1=C[NH+]=CN=C1 23934 [0,0,1,1,0,0|2,0,0]=4 644 B7R1.3 OC1=NC=CC=C1 2567 [0,0,1,1,0,0|2,0,0]=4 645 B7R1.3 OC1=NC=CN=C1 8869 [0,0,1,1,0,0|2,0,0]=4 646 B7R1.3 PC1=CC=CC=C1 25514 [0,0,1,1,0,0|2,0,0]=4 647 B7R1.3 SC1=CC=CC=C1 5421 [0,0,1,1,0,0|1,1,0]=4 648 B7R1.3 [Li]C1=CC=CC=C1 26659 [0,0,1,1,0,0|2,0,0]=4 649 B7R1.3 [S-]C1=CC=CC=C1 35336 [0,0,1,1,0,0|1,1,0]=4 650 B7R1.3 [SiH3]C1=CC=CC=C1 25896 [0,0,1,1,0,0|2,0,0]=4 651 B9R2.3 C1=CC2=C(C=CS2)S1 21292 [0,1,0,1,0,0|0,2,0]=4 652 B9R2.3 C1=CC2=C(S1)SC=C2 33365 [0,1,0,1,0,0|1,1,0]=4 653 B5R1.2 O=C1CCO1 2546 [1,0,0,0,1,0|0,0,2]=4