0 B7R1.4 BrC1=C(Br)SC=C1 D39969 [0,0,0,0,0,0|2,1,0]=3 1 B7R1.4 BrC1=C(I)SC=C1 B39972 [0,0,0,0,0,0|2,1,0]=3 2 B7R1.4 BrC1=CSC=C1Br D39147 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.4 BrC1=CSC=C1I B39973 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.4 BrC1=NNC=C1I B22763 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.4 CC1=C(Br)C=NN1 B12011 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.4 CC1=C(Br)C=NO1 B40106 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.4 CC1=C(Br)N=CS1 B61015 [0,0,0,0,0,0|2,1,0]=3 8 B7R1.4 CC1=C(Br)NC=N1 B40116 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.4 CC1=C(Br)SC=C1 B12699 [0,0,0,0,0,0|2,1,0]=3 10 B7R1.4 CC1=C(Br)SC=N1 B5072 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.4 CC1=C(C)NC=N1 D41358 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.4 CC1=C(C)NC=N1 D43581 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.4 CC1=C(C)SC=N1 D41175 [0,0,0,0,0,0|2,1,0]=3 14 B7R1.4 CC1=C(Cl)SC=C1 C39173 [0,0,0,0,0,0|2,1,0]=3 15 B7R1.4 CC1=C(I)NC=N1 K40125 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.4 CC1=C(N)NN=C1 M13606 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.4 CC1=C(N)ON=C1 M40180 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.4 CC1=CC=NN1C D3267 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.4 CC1=CNC=C1C D12050 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.4 CC1=CNN=C1Br B10968 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.4 CC1=CNN=C1C D22811 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.4 CC1=CNN=C1C D60965 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.4 CC1=CSC=C1Br B40866 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.4 CC1=NNC=C1I K40121 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.4 CC1=NOC=C1N M38991 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.4 CC1=NON=C1N M61679 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.4 CN1C=CN=C1Br B9674 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.4 CN1C=CN=C1Cl C3018 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.4 CN1C=CN=C1I I2903 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.4 CN1C=CN=C1N M40330 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.4 CN1C=CN=C1N M67646 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.4 CN1C=NC=C1Br B2463 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.4 CN1C=NC=C1Cl C40118 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.4 CN1C=NC=C1I K2147 [0,0,0,0,0,0|4,0,0]=4 35 B7R1.4 CN1C=NC=C1N M38381 [0,0,0,0,0,0|4,0,0]=4 36 B7R1.4 CN1N=CC=C1I M9757 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.4 CN1N=CC=C1N M12745 [0,0,0,0,0,0|3,0,0]=3 38 B7R1.4 CN1N=CC=C1O M23117 [0,0,0,0,0,0|2,1,0]=3 39 B7R1.4 CN1N=CCC1=O M40183 [0,0,0,0,0,0|2,1,1]=4 40 B7R1.4 CN1N=CN=C1Br B21698 [0,0,0,0,0,0|4,0,0]=4 41 B7R1.4 CN1NC=CC1=O M40184 [0,0,0,0,0,0|2,1,0]=3 42 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,0,0,0,0,0|0,1,3]=4 43 B7R1.4 ClC1=C(Br)C=CS1 B37895 [0,0,0,0,0,0|2,1,0]=3 44 B7R1.4 ClC1=C(Br)SC=C1 B39970 [0,0,0,0,0,0|2,1,0]=3 45 B7R1.4 ClC1=C(Cl)NC=N1 D62394 [0,0,0,0,0,0|4,0,0]=4 46 B7R1.4 ClC1=C(I)SC=C1 C60404 [0,0,0,0,0,0|2,1,0]=3 47 B7R1.4 FC1=NNC=C1Br B29620 [0,0,0,0,0,0|4,0,0]=4 48 B7R1.4 IC1=C(I)NC=N1 D2856 [0,0,0,0,0,0|4,0,0]=4 49 B7R1.4 NC1=CNN=C1Br B39840 [0,0,0,0,0,0|4,0,0]=4 50 B7R1.4 NC1=CNN=C1Cl C39842 [0,0,0,0,0,0|4,0,0]=4 51 B7R1.4 NC1=CNN=C1Cl C39843 [0,0,0,0,0,0|4,0,0]=4 52 B7R1.4 NC1=CNN=C1N P10349 [0,0,0,0,0,0|4,0,0]=4 53 B7R1.4 NC1=CNN=C1N P20650 [0,0,0,0,0,0|4,0,0]=4 54 B7R1.4 NC1=CSC=C1Br B30109 [0,0,0,0,0,0|4,0,0]=4 55 B7R1.4 NC1=CSC=C1N D40188 [0,0,0,0,0,0|4,0,0]=4 56 B7R1.4 NC1=CSC=C1N T40358 [0,0,0,0,0,0|4,0,0]=4 57 B7R1.4 NC1=NNC=C1Br B8862 [0,0,0,0,0,0|4,0,0]=4 58 B7R1.4 O=C1CCC=C1Br B3409 [0,0,0,0,0,0|3,0,1]=4 59 B7R1.4 O=C1CCC=C1O H41119 [0,0,0,0,0,0|2,1,1]=4 60 B6R1.2 BrC1=CC=CS1 B69329 [1,0,0,0,0,0|1,1,0]=3 61 B6R1.2 BrC1=CC=NN1 B10788 [1,0,0,0,0,0|3,0,0]=4 62 B6R1.2 BrC1=CC=NN1 B37723 [1,0,0,0,0,0|3,0,0]=4 63 B6R1.2 BrC1=CN=CS1 B2349 [1,0,0,0,0,0|2,1,0]=4 64 B6R1.2 BrC1=CNC=N1 B2477 [1,0,0,0,0,0|3,0,0]=4 65 B6R1.2 BrC1=CNN=C1 B22272 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 BrC1=COC=C1 B40068 [1,0,0,0,0,0|1,0,0]=2 67 B6R1.2 BrC1=CON=C1 B39813 [1,0,0,0,0,0|2,0,0]=3 68 B6R1.2 BrC1=CSC=C1 B39148 [1,0,0,0,0,0|1,1,0]=3 69 B6R1.2 BrC1=CSC=N1 B2171 [1,0,0,0,0,0|2,1,0]=4 70 B6R1.2 BrC1=CSN=C1 B39812 [1,0,0,0,0,0|2,1,0]=4 71 B6R1.2 BrC1=NC=CN1 B2807 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 BrC1=NC=CS1 B2607 [1,0,0,0,0,0|2,1,0]=4 73 B6R1.2 BrC1=NOC=C1 B37012 [1,0,0,0,0,0|2,0,0]=3 74 B6R1.2 BrC1=NSC=C1 B39811 [1,0,0,0,0,0|2,1,0]=4 75 B6R1.2 CC1=CC=CN1 M37933 [1,0,0,0,0,0|1,0,0]=2 76 B6R1.2 CC1=CC=CS1 M39179 [1,0,0,0,0,0|0,1,0]=2 77 B6R1.2 CC1=CC=NO1 M24354 [1,0,0,0,0,0|1,0,0]=2 78 B6R1.2 CC1=CN=CS1 M40166 [1,0,0,0,0,0|1,1,0]=3 79 B6R1.2 CC1=CNC=C1 M14657 [1,0,0,0,0,0|2,0,0]=3 80 B6R1.2 CC1=COC=N1 M13405 [1,0,0,0,0,0|2,0,0]=3 81 B6R1.2 CC1=CSC=N1 M24933 [1,0,0,0,0,0|2,0,0]=3 82 B6R1.2 CC1=NC=CS1 M40165 [1,0,0,0,0,0|1,1,0]=3 83 B6R1.2 CC1=NN=CN1 M15832 [1,0,0,0,0,0|3,0,0]=4 84 B6R1.2 CC1=NN=CO1 M32022 [1,0,0,0,0,0|2,0,0]=3 85 B6R1.2 CC1=NNC=C1 M36663 [1,0,0,0,0,0|2,0,0]=3 86 B6R1.2 CC1=NOC=C1 M40157 [1,0,0,0,0,0|2,0,0]=3 87 B6R1.2 CC1=NON=C1 M62158 [1,0,0,0,0,0|3,0,0]=4 88 B6R1.2 CN1C=CC=N1 M12066 [1,0,0,0,0,0|2,0,0]=3 89 B6R1.2 CN1C=CN=C1 M68061 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 CN1C=CN=N1 M38094 [1,0,0,0,0,0|3,0,0]=4 91 B6R1.2 CN1C=NC=N1 M64922 [1,0,0,0,0,0|3,0,0]=4 92 B6R1.2 ClC1=CC=NN1 C10789 [1,0,0,0,0,0|3,0,0]=4 93 B6R1.2 ClC1=CC=NN1 C39819 [1,0,0,0,0,0|3,0,0]=4 94 B6R1.2 ClC1=CN=CN1 C38031 [1,0,0,0,0,0|3,0,0]=4 95 B6R1.2 ClC1=CNN=C1 C39818 [1,0,0,0,0,0|3,0,0]=4 96 B6R1.2 ClC1=CSC=C1 C40018 [1,0,0,0,0,0|1,1,0]=3 97 B6R1.2 ClC1=CSC=N1 C9773 [1,0,0,0,0,0|2,1,0]=4 98 B6R1.2 ClC1=NC=CN1 C38255 [1,0,0,0,0,0|3,0,0]=4 99 B6R1.2 ClC1=NC=CS1 C2694 [1,0,0,0,0,0|2,1,0]=4 100 B6R1.2 FC1=CC=NN1 F13459 [1,0,0,0,0,0|3,0,0]=4 101 B6R1.2 FC1=CNN=C1 F13736 [1,0,0,0,0,0|3,0,0]=4 102 B6R1.2 IC1=CC=CS1 K39149 [1,0,0,0,0,0|1,1,0]=3 103 B6R1.2 IC1=CC=NN1 K39821 [1,0,0,0,0,0|3,0,0]=4 104 B6R1.2 IC1=CN=CN1 I2351 [1,0,0,0,0,0|3,0,0]=4 105 B6R1.2 IC1=CNN=C1 I8923 [1,0,0,0,0,0|3,0,0]=4 106 B6R1.2 IC1=CON=C1 K25626 [1,0,0,0,0,0|2,0,0]=3 107 B6R1.2 IC1=CSC=C1 K40019 [1,0,0,0,0,0|1,1,0]=3 108 B6R1.2 IC1=NC=CO1 I11270 [1,0,0,0,0,0|2,0,0]=3 109 B6R1.2 IC1=NNC=C1 I9931 [1,0,0,0,0,0|3,0,0]=4 110 B6R1.2 NC1=CC=NN1 P61114 [1,0,0,0,0,0|3,0,0]=4 111 B6R1.2 NC1=CC=NO1 X67704 [1,0,0,0,0,0|2,0,0]=3 112 B6R1.2 NC1=CC=NS1 T39909 [1,0,0,0,0,0|2,1,0]=4 113 B6R1.2 NC1=CN=CN1 I37101 [1,0,0,0,0,0|3,0,0]=4 114 B6R1.2 NC1=CN=CS1 T39907 [1,0,0,0,0,0|2,1,0]=4 115 B6R1.2 NC1=CNC=N1 I37475 [1,0,0,0,0,0|3,0,0]=4 116 B6R1.2 NC1=CNN=C1 A12900 [1,0,0,0,0,0|3,0,0]=4 117 B6R1.2 NC1=CNN=C1 A39853 [1,0,0,0,0,0|3,0,0]=4 118 B6R1.2 NC1=COC=N1 X36633 [1,0,0,0,0,0|2,0,0]=3 119 B6R1.2 NC1=CON=C1 A37511 [1,0,0,0,0,0|2,0,0]=3 120 B6R1.2 NC1=CON=C1 K39833 [1,0,0,0,0,0|2,0,0]=3 121 B6R1.2 NC1=CSC=C1 A40167 [1,0,0,0,0,0|1,1,0]=3 122 B6R1.2 NC1=CSC=C1 T10330 [1,0,0,0,0,0|1,1,0]=3 123 B6R1.2 NC1=CSC=C1 T64858 [1,0,0,0,0,0|1,1,0]=3 124 B6R1.2 NC1=CSC=N1 T39908 [1,0,0,0,0,0|2,1,0]=4 125 B6R1.2 NC1=NC=CN1 A28762 [1,0,0,0,0,0|3,0,0]=4 126 B6R1.2 NC1=NC=CN1 A39803 [1,0,0,0,0,0|3,0,0]=4 127 B6R1.2 NC1=NC=CO1 O5740 [1,0,0,0,0,0|2,0,0]=3 128 B6R1.2 NC1=NC=CS1 T39140 [1,0,0,0,0,0|2,1,0]=4 129 B6R1.2 NC1=NNC=C1 A1108 [1,0,0,0,0,0|3,0,0]=4 130 B6R1.2 NC1=NOC=C1 I0613 [1,0,0,0,0,0|2,0,0]=3 131 B6R1.2 NN1C=CC=C1 A7731 [1,0,0,0,0,0|3,0,0]=4 132 B6R1.2 NN1C=CN=C1 I38788 [1,0,0,0,0,0|3,0,0]=4 133 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,0,0,0|1,1,1]=4 134 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,0,0,0|1,0,1]=3 135 B6R1.2 O=C1C=CNN1 P32282 [1,0,0,0,0,0|2,1,0]=4 136 B6R1.2 O=C1C=CSN1 T60536 [1,0,0,0,0,0|1,2,0]=4 137 B6R1.2 O=C1CC=CC1 C19712 [1,0,0,0,0,0|2,0,1]=4 138 B6R1.2 O=C1NC=CN1 K39835 [1,0,0,0,0,0|3,0,0]=4 139 B6R1.2 O=C1NC=CO1 X39828 [1,0,0,0,0,0|2,0,0]=3 140 B6R1.2 OC1=CNN=C1 P61602 [1,0,0,0,0,0|2,1,0]=4 141 B6R1.2 OC1=NC=CS1 H39829 [1,0,0,0,0,0|2,1,0]=4 142 B6R1.2 OC1=NNC=C1 P24482 [1,0,0,0,0,0|2,1,0]=4 143 B6R1.2 ON1C=CC=N1 P25523 [1,0,0,0,0,0|3,0,0]=4 144 B8R1.11 BrCC1=C(Br)SC=C1 B7575 [0,1,0,0,0,0|2,1,0]=4 145 B8R1.11 CC1=C(C=O)N=CN1 M41031 [0,1,0,0,0,0|2,1,0]=4 146 B8R1.11 CC1=C(C=O)N=CS1 M41008 [0,1,0,0,0,0|1,2,0]=4 147 B8R1.11 CC1=C(C=O)NC=C1 M63105 [0,1,0,0,0,0|2,0,1]=4 148 B8R1.11 CC1=C(C=O)SC=C1 M39271 [0,1,0,0,0,0|1,1,1]=4 149 B8R1.11 CC1=C(C=O)SC=N1 M41007 [0,1,0,0,0,0|2,1,0]=4 150 B8R1.11 CC1=C(CCl)NC=N1 C2452 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.11 CC1=C(CO)NC=N1 H2822 [0,1,0,0,0,0|2,1,0]=4 152 B8R1.11 CC1=CNN=C1CO M63844 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.11 CC1=CSC=C1C=O M29934 [0,1,0,0,0,0|2,1,0]=4 154 B8R1.11 CC1=NNC=C1C#N M18620 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.11 CC1=NNC=C1C=O M5838 [0,1,0,0,0,0|2,1,0]=4 156 B8R1.11 CC1=NSC=C1C#N M40783 [0,1,0,0,0,0|3,0,0]=4 157 B8R1.11 CCC1=NC=CN1C E46632 [0,1,0,0,0,0|3,0,0]=4 158 B8R1.11 CCN1C=CN=C1C E63017 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.11 CCN1N=CC=C1N E10472 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.11 CN1C=CC=C1C#N M61385 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.11 CN1C=CC=C1C=O M17296 [0,1,0,0,0,0|2,1,0]=4 162 B8R1.11 CN1C=CC=C1CN M41429 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.11 CN1C=CN=C1CCl C41129 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.11 CN1C=CN=C1CCl C41132 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.11 CN1C=CN=C1CN A13925 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.11 CN1C=CN=C1CO M41198 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.11 CN1N=CC=C1C#N M12750 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.11 CN1N=CC=C1C=O M12515 [0,1,0,0,0,0|2,1,0]=4 169 B8R1.11 CN1N=CC=C1CCl C41130 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.11 CN1N=CC=C1CN M9954 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.11 CSC1=C(C)OC=C1 M43319 [0,1,0,0,0,0|0,0,0]=1 172 B8R1.11 ClCC1=C(Cl)SC=C1 C37492 [0,1,0,0,0,0|2,1,0]=4 173 B8R1.11 N#CC1=C(Br)C=CS1 B9490 [0,1,0,0,0,0|1,1,1]=4 174 B8R1.11 N#CC1=C(Br)SC=C1 B40521 [0,1,0,0,0,0|2,1,0]=4 175 B8R1.11 N#CC1=C(Cl)C=CS1 C61406 [0,1,0,0,0,0|1,1,1]=4 176 B8R1.11 N#CC1=C(N)NC=C1 A40950 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.11 N#CC1=C(N)OC=C1 A5969 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.11 N#CC1=C(N)ON=C1 A40053 [0,1,0,0,0,0|3,0,0]=4 179 B8R1.11 N#CC1=C(N)SC=C1 A40781 [0,1,0,0,0,0|2,1,0]=4 180 B8R1.11 NCC1=C(Cl)C=CS1 A7919 [0,1,0,0,0,0|1,1,0]=3 181 B8R1.11 O=CC1=C(Br)C=CN1 B14575 [0,1,0,0,0,0|2,0,1]=4 182 B8R1.11 O=CC1=C(Br)C=CO1 B6471 [0,1,0,0,0,0|1,0,1]=3 183 B8R1.11 O=CC1=C(Br)C=CS1 B14081 [0,1,0,0,0,0|1,1,1]=4 184 B8R1.11 O=CC1=C(Br)SC=C1 B38048 [0,1,0,0,0,0|1,2,0]=4 185 B8R1.11 O=CC1=C(Cl)C=CN1 C14573 [0,1,0,0,0,0|2,0,1]=4 186 B8R1.11 O=CC1=C(Cl)C=CS1 C14086 [0,1,0,0,0,0|1,1,1]=4 187 B8R1.11 O=CC1=C(Cl)SC=C1 C40693 [0,1,0,0,0,0|1,2,0]=4 188 B8R1.11 O=CC1=C(I)SC=C1 K40695 [0,1,0,0,0,0|1,2,0]=4 189 B8R1.11 OCC1=C(Br)C=CS1 B14083 [0,1,0,0,0,0|1,1,0]=3 190 B8R1.11 OCC1=C(Br)N=CS1 B38277 [0,1,0,0,0,0|2,1,0]=4 191 B8R1.11 OCC1=C(Br)SC=C1 B41017 [0,1,0,0,0,0|1,2,0]=4 192 B8R1.11 OCC1=C(Cl)C=CS1 C11289 [0,1,0,0,0,0|1,1,0]=3 193 B8R1.18 BrC1=CC(Br)=C(Br)S1 T39158 [0,1,0,0,0,0|2,1,0]=4 194 B8R1.18 CC1=C(Br)N=C(Br)S1 D37493 [0,1,0,0,0,0|2,1,0]=4 195 B8R1.18 CC1=C(Br)N=C(N)S1 B67359 [0,1,0,0,0,0|2,1,0]=4 196 B8R1.18 CC1=C(Br)NC(Br)=N1 D40071 [0,1,0,0,0,0|3,0,0]=4 197 B8R1.18 CC1=C(Br)SC(Br)=C1 D40697 [0,1,0,0,0,0|2,1,0]=4 198 B8R1.18 CC1=C(Br)SC(Br)=N1 D3449 [0,1,0,0,0,0|3,0,0]=4 199 B8R1.18 CC1=C(Br)SC(N)=N1 A2767 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.18 CC1=C(Br)SC(N)=N1 A3604 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.18 CC1=C(C)NC(N)=N1 D41246 [0,1,0,0,0,0|3,0,0]=4 202 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [0,1,0,0,0,0|2,0,0]=3 203 B8R1.18 CC1=C(C)SC(Br)=N1 B37797 [0,1,0,0,0,0|2,1,0]=4 204 B8R1.18 CC1=C(C)SC(N)=N1 D41205 [0,1,0,0,0,0|2,1,0]=4 205 B8R1.18 CC1=C(C)SC(N)=N1 D41367 [0,1,0,0,0,0|2,1,0]=4 206 B8R1.18 CC1=C(Cl)SC(Cl)=C1 D40698 [0,1,0,0,0,0|2,1,0]=4 207 B8R1.18 CC1=C(Cl)SC(N)=N1 A2766 [0,1,0,0,0,0|3,0,0]=4 208 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,1,0,0,0,0|2,0,1]=4 209 B8R1.18 CC1=CC(=O)OC1=O C60582 [0,1,0,0,0,0|2,0,0]=3 210 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,1,0,0,0,0|2,0,1]=4 211 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,1,0,0,0,0|0,1,1]=3 212 B8R1.18 CC1=CC(Br)=NN1C B41126 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.18 CC1=CC(C)=NN1C T41425 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.18 CC1=CC(Cl)=NN1C C41128 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.18 CC1=CC(N)=NN1C D41245 [0,1,0,0,0,0|3,0,0]=4 216 B8R1.18 CC1=NC(Br)=C(C)S1 B41110 [0,1,0,0,0,0|2,1,0]=4 217 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.18 CC1=NN(C)C(Br)=C1 B27171 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.18 CC1=NN(C)C(Br)=C1 B2989 [0,1,0,0,0,0|3,0,0]=4 220 B8R1.18 CC1=NN(C)C(N)=C1 D1041 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.18 CC1=NN(C)C(O)=C1 D9461 [0,1,0,0,0,0|2,1,0]=4 222 B8R1.18 CC1=NN(C)C=C1Br B12747 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.18 CC1=NN(C)C=C1I K41135 [0,1,0,0,0,0|3,0,0]=4 224 B8R1.18 CC1=NN(C)C=C1N A10473 [0,1,0,0,0,0|3,0,0]=4 225 B8R1.18 CC1=NN(C)C=C1N D41244 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.18 CN1N=C(Br)C=C1Br D63345 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.18 CN1N=C(Cl)C=C1N C15698 [0,1,0,0,0,0|3,0,0]=4 228 B8R1.18 CN1N=C(Cl)C=C1N C21712 [0,1,0,0,0,0|3,0,0]=4 229 B8R1.18 CN1N=C(N)C=C1Br B40193 [0,1,0,0,0,0|3,0,0]=4 230 B8R1.18 CN1N=C(N)C=C1Cl C40196 [0,1,0,0,0,0|3,0,0]=4 231 B8R1.18 CN1SC(Cl)=CC1=O C69553 [0,1,0,0,0,0|1,2,0]=4 232 B8R1.18 O=C1C=C(Br)C(=O)O1 B69515 [0,1,0,0,0,0|2,0,0]=3 233 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C40066 [0,1,0,0,0,0|2,0,1]=4 234 B8R1.50 CC1=C(Br)C(=O)NN1 B40127 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.50 CC1=C(Br)C=NN1C B41125 [0,1,0,0,0,0|3,0,0]=4 236 B8R1.50 CC1=C(Br)N(C)N=C1 B19368 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.50 CC1=C(C)C(N)=NN1 D26412 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.50 CC1=C(C)C(N)=NO1 D1375 [0,1,0,0,0,0|2,0,0]=3 239 B8R1.50 CC1=C(I)C(I)=NN1 D40072 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.50 CC1=C(N)C=NN1C D41401 [0,1,0,0,0,0|3,0,0]=4 241 B8R1.50 CC1=NC=C(Br)N1C B41127 [0,1,0,0,0,0|3,0,0]=4 242 B8R1.50 CC1=NNC(C)=C1Br B39180 [0,1,0,0,0,0|3,0,0]=4 243 B8R1.50 CC1=NNC(C)=C1I D41133 [0,1,0,0,0,0|3,0,0]=4 244 B8R1.50 CC1=NNC(Cl)=C1N C12419 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.50 CC1=NOC(C)=C1Br B7571 [0,1,0,0,0,0|2,0,0]=3 246 B8R1.50 CC1=NOC(C)=C1I D39177 [0,1,0,0,0,0|2,0,0]=3 247 B8R1.50 CC1=NOC(N)=C1Br B67364 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.50 CC1=NOC(N)=C1Cl C64997 [0,1,0,0,0,0|3,0,0]=4 249 B8R1.50 CN1C(=O)C=CC1=O M62371 [0,1,0,0,0,0|2,1,0]=4 250 B8R1.50 CN1N=CC(Cl)=C1N C40195 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.50 CN1N=CC(N)=C1N M39945 [0,1,0,0,0,0|3,0,0]=4 252 B8R1.50 O=C1OCC(Br)=C1Br D2821 [0,1,0,0,0,0|2,0,1]=4 253 B6R0.1 CC=CC(=O)CC H41457 [0,0,1,0,0,0|1,1,1]=4 254 B6R0.1 COC(=O)\C=C/Br B3417 [0,0,1,0,0,0|2,1,0]=4 255 B6R0.1 COC(=O)\C=C/I I2748 [0,0,1,0,0,0|2,1,0]=4 256 B6R0.1 COC(=O)\C=C\I M40173 [0,0,1,0,0,0|2,1,0]=4 257 B6R0.3 C=C(Br)C(=O)OC M40168 [0,0,1,0,0,0|2,0,1]=4 258 B6R0.3 C=C(F)C(=O)OC M40171 [0,0,1,0,0,0|2,0,1]=4 259 B6R0.3 C=C[C@H](C)C(=O)O M60559 [0,0,1,0,0,0|2,0,1]=4 260 B6R0.3 C=C[C@H](N)C(=O)O A40334 [0,0,1,0,0,0|2,0,1]=4 261 B6R0.6 C\C=C\C=C\CO H69109 [0,0,1,0,0,0|1,1,1]=4 262 B6R1.4 C[C@@H]1OCC1=O M61882 [0,0,0,0,1,0|0,1,2]=4 263 B8R1.4 BrC1=CC(Br)=NC=C1 D2494 [0,0,0,0,0,1|3,0,0]=4 264 B8R1.4 BrC1=CC=CC(Br)=N1 D24616 [0,0,0,0,0,1|3,0,0]=4 265 B8R1.4 BrC1=CC=CC(I)=C1 B24425 [0,0,0,0,0,1|3,0,0]=4 266 B8R1.4 BrC1=CC=CC(I)=N1 B40637 [0,0,0,0,0,1|3,0,0]=4 267 B8R1.4 BrC1=CC=NC(Br)=N1 D12195 [0,0,0,0,0,1|3,0,0]=4 268 B8R1.4 BrC1=NC=CC(I)=C1 B15186 [0,0,0,0,0,1|3,0,0]=4 269 B8R1.4 CC1=CC(=O)NC=N1 M41027 [0,0,0,0,0,1|2,1,0]=4 270 B8R1.4 CC1=CC(=S)NC=N1 M41054 [0,0,0,0,0,1|2,0,1]=4 271 B8R1.4 CC1=CC(Br)=CN=C1 B10806 [0,0,0,0,0,1|3,0,0]=4 272 B8R1.4 CC1=CC(Br)=NC=C1 B5404 [0,0,0,0,0,1|3,0,0]=4 273 B8R1.4 CC1=CC(Br)=NC=N1 B40871 [0,0,0,0,0,1|3,0,0]=4 274 B8R1.4 CC1=CC(C)=NC=N1 D7855 [0,0,0,0,0,1|3,0,0]=4 275 B8R1.4 CC1=CC(Cl)=CN=C1 C22076 [0,0,0,0,0,1|3,0,0]=4 276 B8R1.4 CC1=CC(Cl)=NC=C1 C4515 [0,0,0,0,0,1|3,0,0]=4 277 B8R1.4 CC1=CC(Cl)=NC=N1 C11796 [0,0,0,0,0,1|3,0,0]=4 278 B8R1.4 CC1=CC(F)=CN=C1 F42848 [0,0,0,0,0,1|3,0,0]=4 279 B8R1.4 CC1=CC(N)=NC=C1 M67573 [0,0,0,0,0,1|3,0,0]=4 280 B8R1.4 CC1=CC(N)=NC=N1 M8922 [0,0,0,0,0,1|3,0,0]=4 281 B8R1.4 CC1=CC(O)=CN=C1 H23648 [0,0,0,0,0,1|2,1,0]=4 282 B8R1.4 CC1=CC(O)=NC=C1 M18825 [0,0,0,0,0,1|2,1,0]=4 283 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,0,0,0,0,1|1,1,0]=3 284 B8R1.4 CC1=CC=CC(Br)=N1 B39267 [0,0,0,0,0,1|2,0,0]=3 285 B8R1.4 CC1=CC=CC(Cl)=N1 C4547 [0,0,0,0,0,1|2,0,0]=3 286 B8R1.4 CC1=CC=CC(F)=N1 F39268 [0,0,0,0,0,1|2,0,0]=3 287 B8R1.4 CC1=CC=CC(I)=C1 K68735 [0,0,0,0,0,1|2,0,0]=3 288 B8R1.4 CC1=CC=CC(I)=N1 K42850 [0,0,0,0,0,1|2,0,0]=3 289 B8R1.4 CC1=CC=CC(N)=N1 A13755 [0,0,0,0,0,1|2,0,0]=3 290 B8R1.4 CC1=CC=CC(S)=N1 M38177 [0,0,0,0,0,1|1,0,0]=2 291 B8R1.4 CC1=CC=CC([Mg+])=C1 M31730 [0,0,0,0,0,1|2,0,0]=3 292 B8R1.4 CC1=CC=NC(Br)=N1 B40870 [0,0,0,0,0,1|3,0,0]=4 293 B8R1.4 CC1=CC=NC(C)=N1 D43181 [0,0,0,0,0,1|2,0,0]=3 294 B8R1.4 CC1=CC=NC(Cl)=N1 C3497 [0,0,0,0,0,1|3,0,0]=4 295 B8R1.4 CC1=CC=NC(I)=N1 I37139 [0,0,0,0,0,1|3,0,0]=4 296 B8R1.4 CC1=CC=NC(N)=N1 M41141 [0,0,0,0,0,1|3,0,0]=4 297 B8R1.4 CC1=CC=NC(O)=N1 M68180 [0,0,0,0,0,1|2,1,0]=4 298 B8R1.4 CC1=CN=CC(Br)=N1 B38752 [0,0,0,0,0,1|3,0,0]=4 299 B8R1.4 CC1=CN=CC(C)=N1 D69480 [0,0,0,0,0,1|3,0,0]=4 300 B8R1.4 CC1=CN=CC(Cl)=N1 C37906 [0,0,0,0,0,1|3,0,0]=4 301 B8R1.4 CC1=CN=CC(N)=C1 A4718 [0,0,0,0,0,1|3,0,0]=4 302 B8R1.4 CC1=CN=CC(N)=N1 M41139 [0,0,0,0,0,1|3,0,0]=4 303 B8R1.4 CC1=CN=CC(O)=N1 M67557 [0,0,0,0,0,1|2,1,0]=4 304 B8R1.4 CC1=NC=CC(=O)N1 M41026 [0,0,0,0,0,1|1,1,0]=3 305 B8R1.4 CC1=NC=CC(Br)=C1 B1746 [0,0,0,0,0,1|2,0,0]=3 306 B8R1.4 CC1=NC=CC(Br)=N1 B32286 [0,0,0,0,0,1|2,0,0]=3 307 B8R1.4 CC1=NC=CC(Cl)=C1 C42842 [0,0,0,0,0,1|2,0,0]=3 308 B8R1.4 CC1=NC=CC(Cl)=N1 C11598 [0,0,0,0,0,1|2,0,0]=3 309 B8R1.4 CC1=NC=CC(F)=C1 F67675 [0,0,0,0,0,1|2,0,0]=3 310 B8R1.4 CC1=NC=CC(I)=C1 K42851 [0,0,0,0,0,1|2,0,0]=3 311 B8R1.4 CC1=NC=CC(N)=C1 A12847 [0,0,0,0,0,1|2,0,0]=3 312 B8R1.4 CC1=NC=CC(N)=N1 M9010 [0,0,0,0,0,1|2,0,0]=3 313 B8R1.4 CC1=NC=CC(O)=C1 H1019 [0,0,0,0,0,1|1,1,0]=3 314 B8R1.4 CC1=NC=CC(O)=N1 M69189 [0,0,0,0,0,1|1,1,0]=3 315 B8R1.4 ClC1=CC(Br)=NC=C1 B2615 [0,0,0,0,0,1|3,0,0]=4 316 B8R1.4 ClC1=CC(Cl)=NC=C1 D31097 [0,0,0,0,0,1|3,0,0]=4 317 B8R1.4 ClC1=CC(I)=NC=C1 C37780 [0,0,0,0,0,1|3,0,0]=4 318 B8R1.4 ClC1=CC=CC(Br)=C1 B68310 [0,0,0,0,0,1|3,0,0]=4 319 B8R1.4 ClC1=CC=CC(Br)=N1 B4770 [0,0,0,0,0,1|3,0,0]=4 320 B8R1.4 ClC1=CC=CC(Cl)=N1 D69309 [0,0,0,0,0,1|3,0,0]=4 321 B8R1.4 ClC1=CC=CC(I)=C1 C39234 [0,0,0,0,0,1|3,0,0]=4 322 B8R1.4 ClC1=CC=CC(I)=N1 C36686 [0,0,0,0,0,1|3,0,0]=4 323 B8R1.4 ClC1=CC=NC(Cl)=N1 D2489 [0,0,0,0,0,1|3,0,0]=4 324 B8R1.4 ClC1=NC=CC(Br)=C1 B2879 [0,0,0,0,0,1|3,0,0]=4 325 B8R1.4 ClC1=NC=CC(Br)=N1 B39977 [0,0,0,0,0,1|3,0,0]=4 326 B8R1.4 ClC1=NC=CC(I)=C1 C2347 [0,0,0,0,0,1|3,0,0]=4 327 B8R1.4 FC1=CC(Br)=NC=C1 B4916 [0,0,0,0,0,1|3,0,0]=4 328 B8R1.4 FC1=CC(Cl)=NC=C1 C40640 [0,0,0,0,0,1|3,0,0]=4 329 B8R1.4 FC1=CC(F)=NC=C1 D12477 [0,0,0,0,0,1|3,0,0]=4 330 B8R1.4 FC1=CC=CC(Br)=N1 B2593 [0,0,0,0,0,1|3,0,0]=4 331 B8R1.4 FC1=CC=CC(Cl)=N1 C39168 [0,0,0,0,0,1|3,0,0]=4 332 B8R1.4 FC1=CC=CC(F)=N1 D5153 [0,0,0,0,0,1|3,0,0]=4 333 B8R1.4 FC1=CC=CC(I)=C1 F39235 [0,0,0,0,0,1|3,0,0]=4 334 B8R1.4 FC1=CC=CC([Mg+])=C1 F31732 [0,0,0,0,0,1|3,0,0]=4 335 B8R1.4 FC1=NC=CC(Br)=C1 B2295 [0,0,0,0,0,1|3,0,0]=4 336 B8R1.4 FC1=NC=CC(Cl)=C1 C40643 [0,0,0,0,0,1|3,0,0]=4 337 B8R1.4 FC1=NC=CC(Cl)=N1 C24022 [0,0,0,0,0,1|3,0,0]=4 338 B8R1.4 FC1=NC=CC(I)=C1 F2382 [0,0,0,0,0,1|3,0,0]=4 339 B8R1.4 IC1=CC=CC(I)=C1 D36613 [0,0,0,0,0,1|3,0,0]=4 340 B8R1.4 IC1=CC=NC(I)=N1 D39987 [0,0,0,0,0,1|3,0,0]=4 341 B8R1.4 NC1=CC(=O)NC=C1 A0052 [0,0,0,0,0,1|3,0,0]=4 342 B8R1.4 NC1=CC(Br)=NC=C1 A2493 [0,0,0,0,0,1|3,0,0]=4 343 B8R1.4 NC1=CC(Cl)=NC=C1 A4859 [0,0,0,0,0,1|3,0,0]=4 344 B8R1.4 NC1=CC(F)=NC=C1 A10494 [0,0,0,0,0,1|3,0,0]=4 345 B8R1.4 NC1=CC(O)=NC=C1 A41022 [0,0,0,0,0,1|3,0,0]=4 346 B8R1.4 NC1=CC=CC(Br)=N1 A1106 [0,0,0,0,0,1|3,0,0]=4 347 B8R1.4 NC1=CC=CC(Cl)=N1 A1775 [0,0,0,0,0,1|3,0,0]=4 348 B8R1.4 NC1=CC=CC(F)=N1 A40882 [0,0,0,0,0,1|3,0,0]=4 349 B8R1.4 NC1=CC=CC(I)=C1 I37843 [0,0,0,0,0,1|3,0,0]=4 350 B8R1.4 NC1=CC=CC(I)=N1 K40888 [0,0,0,0,0,1|3,0,0]=4 351 B8R1.4 NC1=CC=CC(N)=N1 P69294 [0,0,0,0,0,1|3,0,0]=4 352 B8R1.4 NC1=CC=CC(O)=N1 A3198 [0,0,0,0,0,1|2,1,0]=4 353 B8R1.4 NC1=CC=NC(Br)=N1 A40082 [0,0,0,0,0,1|3,0,0]=4 354 B8R1.4 NC1=CC=NC(Cl)=N1 A0247 [0,0,0,0,0,1|3,0,0]=4 355 B8R1.4 NC1=CC=NC(F)=N1 F30033 [0,0,0,0,0,1|3,0,0]=4 356 B8R1.4 NC1=NC=CC(=O)N1 A7573 [0,0,0,0,0,1|2,1,0]=4 357 B8R1.4 NC1=NC=CC(Br)=C1 A4983 [0,0,0,0,0,1|3,0,0]=4 358 B8R1.4 NC1=NC=CC(Br)=N1 A7574 [0,0,0,0,0,1|3,0,0]=4 359 B8R1.4 NC1=NC=CC(Cl)=C1 A1518 [0,0,0,0,0,1|3,0,0]=4 360 B8R1.4 NC1=NC=CC(Cl)=N1 A1533 [0,0,0,0,0,1|3,0,0]=4 361 B8R1.4 NC1=NC=CC(F)=C1 A2971 [0,0,0,0,0,1|3,0,0]=4 362 B8R1.4 NC1=NC=CC(F)=N1 F13613 [0,0,0,0,0,1|3,0,0]=4 363 B8R1.4 NC1=NC=CC(I)=C1 A8059 [0,0,0,0,0,1|3,0,0]=4 364 B8R1.4 NC1=NC=CC(I)=N1 A13614 [0,0,0,0,0,1|3,0,0]=4 365 B8R1.4 NC1=NC=CC(O)=C1 A41020 [0,0,0,0,0,1|2,1,0]=4 366 B8R1.4 O=C1C=C(Br)C=CN1 B11835 [0,0,0,0,0,1|3,0,0]=4 367 B8R1.4 O=C1C=C(F)C=CN1 F32104 [0,0,0,0,0,1|3,0,0]=4 368 B8R1.4 O=C1C=C(I)C=CN1 K40859 [0,0,0,0,0,1|3,0,0]=4 369 B8R1.4 O=C1C=C(O)C=CN1 H69391 [0,0,0,0,0,1|2,1,0]=4 370 B8R1.4 O=C1C=CC=C(Br)N1 B13719 [0,0,0,0,0,1|2,1,0]=4 371 B8R1.4 O=C1C=CC=C(Cl)N1 C40846 [0,0,0,0,0,1|2,1,0]=4 372 B8R1.4 OC1=CC(Br)=NC=C1 B9469 [0,0,0,0,0,1|2,1,0]=4 373 B8R1.4 OC1=CC(Cl)=NC=C1 C4756 [0,0,0,0,0,1|2,1,0]=4 374 B8R1.4 OC1=CC(O)=NC=C1 P61417 [0,0,0,0,0,1|2,1,0]=4 375 B8R1.4 OC1=CC=CC(F)=C1 F69298 [0,0,0,0,0,1|2,1,0]=4 376 B8R1.4 OC1=CC=CC(F)=N1 F40852 [0,0,0,0,0,1|2,1,0]=4 377 B8R1.4 OC1=CC=CC(I)=C1 K42723 [0,0,0,0,0,1|2,1,0]=4 378 B8R1.4 OC1=CC=NC(Cl)=N1 C24271 [0,0,0,0,0,1|2,1,0]=4 379 B8R1.4 OC1=NC=CC(Cl)=C1 C40848 [0,0,0,0,0,1|3,0,0]=4 380 B8R1.4 [Mg+]C1=CC=CC(Cl)=C1 C31751 [0,0,0,0,0,1|3,0,0]=4 381 B8R1.5 BrC1=C(Br)C=NC=C1 D37531 [0,0,0,0,0,1|3,0,0]=4 382 B8R1.5 BrC1=C(I)C=CC=C1 B38417 [0,0,0,0,0,1|3,0,0]=4 383 B8R1.5 BrC1=C(I)C=CC=N1 B40636 [0,0,0,0,0,1|3,0,0]=4 384 B8R1.5 BrC1=C(I)C=CN=C1 B40638 [0,0,0,0,0,1|3,0,0]=4 385 B8R1.5 BrC1=C(I)C=NC=C1 B38878 [0,0,0,0,0,1|3,0,0]=4 386 B8R1.5 BrC1=CN=CN=C1I B14433 [0,0,0,0,0,1|3,0,0]=4 387 B8R1.5 BrC1=NC=CN=C1Br D39975 [0,0,0,0,0,1|3,0,0]=4 388 B8R1.5 CC1=C(Br)C=CC=N1 B10407 [0,0,0,0,0,1|2,0,0]=3 389 B8R1.5 CC1=C(Br)C=CN=C1 B10400 [0,0,0,0,0,1|2,0,0]=3 390 B8R1.5 CC1=C(Br)C=NC=C1 B3515 [0,0,0,0,0,1|2,0,0]=3 391 B8R1.5 CC1=C(Br)C=NC=N1 B14434 [0,0,0,0,0,1|2,0,0]=3 392 B8R1.5 CC1=C(Cl)C=CC=N1 C42843 [0,0,0,0,0,1|2,0,0]=3 393 B8R1.5 CC1=C(Cl)C=CN=C1 C68326 [0,0,0,0,0,1|2,0,0]=3 394 B8R1.5 CC1=C(Cl)C=NC=C1 C42844 [0,0,0,0,0,1|2,0,0]=3 395 B8R1.5 CC1=C(F)C=CC=N1 F69193 [0,0,0,0,0,1|2,0,0]=3 396 B8R1.5 CC1=C(F)C=CN=C1 F43525 [0,0,0,0,0,1|2,0,0]=3 397 B8R1.5 CC1=C(F)C=NC=C1 F3668 [0,0,0,0,0,1|2,0,0]=3 398 B8R1.5 CC1=C(I)C=CC=C1 K67847 [0,0,0,0,0,1|2,0,0]=3 399 B8R1.5 CC1=C(I)C=NC=N1 K40890 [0,0,0,0,0,1|2,0,0]=3 400 B8R1.5 CC1=C(N)C=CN=C1 A4667 [0,0,0,0,0,1|2,0,0]=3 401 B8R1.5 CC1=C(N)C=NC=C1 A14314 [0,0,0,0,0,1|2,0,0]=3 402 B8R1.5 CC1=C(O)C=CC=N1 H10468 [0,0,0,0,0,1|1,1,0]=3 403 B8R1.5 CC1=C(O)C=CN=C1 M43132 [0,0,0,0,0,1|1,1,0]=3 404 B8R1.5 CC1=C(O)C=NC=C1 H12910 [0,0,0,0,0,1|1,1,0]=3 405 B8R1.5 CC1=C([Mg+])C=CC=C1 M31729 [0,0,0,0,0,1|2,0,0]=3 406 B8R1.5 CC1=CC=CN=C1Br B13771 [0,0,0,0,0,1|2,0,0]=3 407 B8R1.5 CC1=CC=CN=C1C L68373 [0,0,0,0,0,1|2,0,0]=3 408 B8R1.5 CC1=CC=CN=C1Cl C21969 [0,0,0,0,0,1|2,0,0]=3 409 B8R1.5 CC1=CC=CN=C1F F42847 [0,0,0,0,0,1|2,0,0]=3 410 B8R1.5 CC1=CC=CN=C1N M20541 [0,0,0,0,0,1|2,0,0]=3 411 B8R1.5 CC1=CC=CNC1=O M68618 [0,0,0,0,0,1|1,1,0]=3 412 B8R1.5 CC1=CC=NN=C1Cl C20457 [0,0,0,0,0,1|3,0,0]=4 413 B8R1.5 CC1=CC=NN=C1Cl C2949 [0,0,0,0,0,1|3,0,0]=4 414 B8R1.5 CC1=CC=NNC1=O M5790 [0,0,0,0,0,1|2,1,0]=4 415 B8R1.5 CC1=CN=CN=C1Cl C24055 [0,0,0,0,0,1|3,0,0]=4 416 B8R1.5 CC1=CN=CN=C1N A38299 [0,0,0,0,0,1|3,0,0]=4 417 B8R1.5 CC1=CN=CN=C1O H41028 [0,0,0,0,0,1|2,1,0]=4 418 B8R1.5 CC1=CN=NC=C1N M60072 [0,0,0,0,0,1|3,0,0]=4 419 B8R1.5 CC1=NC=CN=C1Br B14599 [0,0,0,0,0,1|2,0,0]=3 420 B8R1.5 CC1=NC=CN=C1Cl C14608 [0,0,0,0,0,1|2,0,0]=3 421 B8R1.5 CC1=NC=CN=C1I I14601 [0,0,0,0,0,1|2,0,0]=3 422 B8R1.5 CC1=NC=CN=C1N A14593 [0,0,0,0,0,1|2,0,0]=3 423 B8R1.5 CC1=NC=CN=C1O H14600 [0,0,0,0,0,1|1,1,0]=3 424 B8R1.5 CC1=NC=NC=C1N A14334 [0,0,0,0,0,1|2,0,0]=3 425 B8R1.5 CN1C=CC=CC1=O M62252 [0,0,0,0,0,1|2,1,0]=4 426 B8R1.5 C[N+]1=C(Cl)C=CC=C1 C39196 [0,0,0,0,0,1|3,0,0]=4 427 B8R1.5 ClC1=C(Br)C=CC=C1 B67579 [0,0,0,0,0,1|3,0,0]=4 428 B8R1.5 ClC1=C(Br)C=CC=N1 B9483 [0,0,0,0,0,1|3,0,0]=4 429 B8R1.5 ClC1=C(Br)C=CN=C1 B3024 [0,0,0,0,0,1|3,0,0]=4 430 B8R1.5 ClC1=C(Br)C=NC=C1 B23333 [0,0,0,0,0,1|3,0,0]=4 431 B8R1.5 ClC1=C(Br)C=NC=C1 B5671 [0,0,0,0,0,1|3,0,0]=4 432 B8R1.5 ClC1=C(Br)C=NC=N1 C0422 [0,0,0,0,0,1|3,0,0]=4 433 B8R1.5 ClC1=C(Cl)C=NC=C1 D40639 [0,0,0,0,0,1|3,0,0]=4 434 B8R1.5 ClC1=C(I)C=CC=C1 C39233 [0,0,0,0,0,1|3,0,0]=4 435 B8R1.5 ClC1=C(I)C=CC=N1 C3030 [0,0,0,0,0,1|3,0,0]=4 436 B8R1.5 ClC1=C(I)C=CN=C1 C40645 [0,0,0,0,0,1|3,0,0]=4 437 B8R1.5 ClC1=C(I)C=NC=C1 C26241 [0,0,0,0,0,1|3,0,0]=4 438 B8R1.5 ClC1=C(I)C=NC=C1 C40647 [0,0,0,0,0,1|3,0,0]=4 439 B8R1.5 ClC1=C(I)C=NC=N1 C10398 [0,0,0,0,0,1|3,0,0]=4 440 B8R1.5 ClC1=CC=CN=C1Br B40634 [0,0,0,0,0,1|3,0,0]=4 441 B8R1.5 ClC1=CC=CN=C1Cl D5123 [0,0,0,0,0,1|3,0,0]=4 442 B8R1.5 ClC1=CC=CN=C1I C25332 [0,0,0,0,0,1|3,0,0]=4 443 B8R1.5 ClC1=CC=NN=C1Cl D10572 [0,0,0,0,0,1|3,0,0]=4 444 B8R1.5 ClC1=CN=CN=C1Cl D12602 [0,0,0,0,0,1|3,0,0]=4 445 B8R1.5 ClC1=NC=CN=C1Br B37498 [0,0,0,0,0,1|3,0,0]=4 446 B8R1.5 ClC1=NC=CN=C1Cl D7674 [0,0,0,0,0,1|3,0,0]=4 447 B8R1.5 ClC1=NC=CN=C1I C39981 [0,0,0,0,0,1|3,0,0]=4 448 B8R1.5 FC1=C(Br)C=CC=C1 B42063 [0,0,0,0,0,1|3,0,0]=4 449 B8R1.5 FC1=C(Br)C=CC=N1 B2291 [0,0,0,0,0,1|3,0,0]=4 450 B8R1.5 FC1=C(Br)C=CN=C1 B7643 [0,0,0,0,0,1|3,0,0]=4 451 B8R1.5 FC1=C(Br)C=NC=C1 B4918 [0,0,0,0,0,1|3,0,0]=4 452 B8R1.5 FC1=C(Cl)C=CC=N1 C3434 [0,0,0,0,0,1|3,0,0]=4 453 B8R1.5 FC1=C(Cl)C=CN=C1 C22665 [0,0,0,0,0,1|3,0,0]=4 454 B8R1.5 FC1=C(Cl)C=CN=C1 C5574 [0,0,0,0,0,1|3,0,0]=4 455 B8R1.5 FC1=C(F)C=NC=C1 D36882 [0,0,0,0,0,1|3,0,0]=4 456 B8R1.5 FC1=C(I)C=CC=N1 F2381 [0,0,0,0,0,1|3,0,0]=4 457 B8R1.5 FC1=C(I)C=CN=C1 F12620 [0,0,0,0,0,1|3,0,0]=4 458 B8R1.5 FC1=CC=CN=C1Br B3502 [0,0,0,0,0,1|3,0,0]=4 459 B8R1.5 FC1=CC=CN=C1Cl C3353 [0,0,0,0,0,1|3,0,0]=4 460 B8R1.5 FC1=CC=CN=C1F D40648 [0,0,0,0,0,1|3,0,0]=4 461 B8R1.5 FC1=CC=CN=C1I F10819 [0,0,0,0,0,1|3,0,0]=4 462 B8R1.5 FC1=CN=CN=C1Cl C2977 [0,0,0,0,0,1|3,0,0]=4 463 B8R1.5 FC1=NC=CN=C1I F6274 [0,0,0,0,0,1|3,0,0]=4 464 B8R1.5 IC1=C(I)C=CC=C1 D38439 [0,0,0,0,0,1|3,0,0]=4 465 B8R1.5 NC1=C(Br)C=CC=N1 A12591 [0,0,0,0,0,1|3,0,0]=4 466 B8R1.5 NC1=C(Br)C=CN=C1 A8893 [0,0,0,0,0,1|3,0,0]=4 467 B8R1.5 NC1=C(Br)C=NC=C1 A40869 [0,0,0,0,0,1|3,0,0]=4 468 B8R1.5 NC1=C(Br)C=NC=N1 A38147 [0,0,0,0,0,1|3,0,0]=4 469 B8R1.5 NC1=C(Cl)C=CC=N1 A3433 [0,0,0,0,0,1|3,0,0]=4 470 B8R1.5 NC1=C(Cl)C=CN=C1 A22240 [0,0,0,0,0,1|3,0,0]=4 471 B8R1.5 NC1=C(Cl)C=NC=C1 A8881 [0,0,0,0,0,1|3,0,0]=4 472 B8R1.5 NC1=C(Cl)C=NC=N1 A40085 [0,0,0,0,0,1|3,0,0]=4 473 B8R1.5 NC1=C(F)C=CC=C1 F66698 [0,0,0,0,0,1|3,0,0]=4 474 B8R1.5 NC1=C(F)C=CC=N1 A37908 [0,0,0,0,0,1|3,0,0]=4 475 B8R1.5 NC1=C(F)C=NC=C1 A2815 [0,0,0,0,0,1|3,0,0]=4 476 B8R1.5 NC1=C(F)C=NC=N1 F38859 [0,0,0,0,0,1|3,0,0]=4 477 B8R1.5 NC1=C(I)C=CC=C1 K67831 [0,0,0,0,0,1|3,0,0]=4 478 B8R1.5 NC1=C(I)C=CC=N1 I0599 [0,0,0,0,0,1|3,0,0]=4 479 B8R1.5 NC1=C(I)C=CN=C1 I12632 [0,0,0,0,0,1|3,0,0]=4 480 B8R1.5 NC1=C(I)C=NC=C1 A3436 [0,0,0,0,0,1|3,0,0]=4 481 B8R1.5 NC1=C(I)C=NC=N1 I38757 [0,0,0,0,0,1|3,0,0]=4 482 B8R1.5 NC1=C(N)C=NC=C1 P24217 [0,0,0,0,0,1|3,0,0]=4 483 B8R1.5 NC1=C(O)C=CC=N1 A31053 [0,0,0,0,0,1|2,1,0]=4 484 B8R1.5 NC1=C(O)C=CN=C1 A4768 [0,0,0,0,0,1|2,1,0]=4 485 B8R1.5 NC1=C(O)C=NC=C1 A38212 [0,0,0,0,0,1|2,1,0]=4 486 B8R1.5 NC1=C(O)C=NC=C1 A62454 [0,0,0,0,0,1|2,1,0]=4 487 B8R1.5 NC1=C(O)C=NC=N1 A40129 [0,0,0,0,0,1|2,1,0]=4 488 B8R1.5 NC1=C(S)C=NC=C1 A21808 [0,0,0,0,0,1|2,0,0]=3 489 B8R1.5 NC1=CC=CN=C1Br A4535 [0,0,0,0,0,1|3,0,0]=4 490 B8R1.5 NC1=CC=CN=C1Cl C0716 [0,0,0,0,0,1|3,0,0]=4 491 B8R1.5 NC1=CC=CN=C1F F9484 [0,0,0,0,0,1|3,0,0]=4 492 B8R1.5 NC1=CC=CN=C1I K40887 [0,0,0,0,0,1|3,0,0]=4 493 B8R1.5 NC1=CC=CN=C1O A0666 [0,0,0,0,0,1|2,1,0]=4 494 B8R1.5 NC1=CC=CNC1=S A23408 [0,0,0,0,0,1|2,0,1]=4 495 B8R1.5 NC1=CN=CN=C1Br A40084 [0,0,0,0,0,1|3,0,0]=4 496 B8R1.5 NC1=CN=CN=C1Cl C24195 [0,0,0,0,0,1|3,0,0]=4 497 B8R1.5 NC1=CN=CN=C1I K67761 [0,0,0,0,0,1|3,0,0]=4 498 B8R1.5 NC1=CN=CN=C1N P40201 [0,0,0,0,0,1|3,0,0]=4 499 B8R1.5 NC1=CN=CNC1=O A40131 [0,0,0,0,0,1|3,0,0]=4 500 B8R1.5 NC1=CNC=CC1=O A41025 [0,0,0,0,0,1|2,1,0]=4 501 B8R1.5 NC1=NC=CN=C1Br A38037 [0,0,0,0,0,1|3,0,0]=4 502 B8R1.5 NC1=NC=CN=C1Cl A5117 [0,0,0,0,0,1|3,0,0]=4 503 B8R1.5 NC1=NC=CN=C1N D14607 [0,0,0,0,0,1|3,0,0]=4 504 B8R1.5 NC1=NC=CNC1=O A40130 [0,0,0,0,0,1|2,1,0]=4 505 B8R1.5 O=C1C=COC=C1O H23906 [0,0,0,0,0,1|1,1,0]=3 506 B8R1.5 O=C1NC=CC=C1Br B12634 [0,0,0,0,0,1|2,1,0]=4 507 B8R1.5 O=C1NC=CN=C1Cl C40043 [0,0,0,0,0,1|2,1,0]=4 508 B8R1.5 O=C1NC=NC=C1Cl C12601 [0,0,0,0,0,1|3,0,0]=4 509 B8R1.5 O=C1NC=NC=C1I I12600 [0,0,0,0,0,1|3,0,0]=4 510 B8R1.5 O=C1NC=NC=C1O H40075 [0,0,0,0,0,1|2,1,0]=4 511 B8R1.5 O=C1NC=NC=C1O H40320 [0,0,0,0,0,1|2,1,0]=4 512 B8R1.5 O=C1NN=CC=C1Cl C10571 [0,0,0,0,0,1|3,0,0]=4 513 B8R1.5 O=C1OC=CC=C1O H39075 [0,0,0,0,0,1|1,1,0]=3 514 B8R1.5 OC1=C(Br)C=CN=C1 B37993 [0,0,0,0,0,1|2,1,0]=4 515 B8R1.5 OC1=C(Br)C=NC=N1 B0421 [0,0,0,0,0,1|3,0,0]=4 516 B8R1.5 OC1=C(Cl)C=CC=N1 C40847 [0,0,0,0,0,1|2,1,0]=4 517 B8R1.5 OC1=C(Cl)C=CN=C1 C36961 [0,0,0,0,0,1|2,1,0]=4 518 B8R1.5 OC1=C(Cl)C=NC=C1 C39064 [0,0,0,0,0,1|2,1,0]=4 519 B8R1.5 OC1=C(F)C=CC=C1 F60817 [0,0,0,0,0,1|2,1,0]=4 520 B8R1.5 OC1=C(F)C=CC=N1 F40853 [0,0,0,0,0,1|2,1,0]=4 521 B8R1.5 OC1=C(F)C=NC=C1 F22449 [0,0,0,0,0,1|2,1,0]=4 522 B8R1.5 OC1=C(I)C=CC=C1 K68101 [0,0,0,0,0,1|2,1,0]=4 523 B8R1.5 OC1=C(I)C=CC=N1 K40856 [0,0,0,0,0,1|2,1,0]=4 524 B8R1.5 OC1=C(I)C=CN=C1 I38060 [0,0,0,0,0,1|2,1,0]=4 525 B8R1.5 OC1=C(I)C=NC=C1 K40857 [0,0,0,0,0,1|2,1,0]=4 526 B8R1.5 OC1=CC=CN=C1Br B12744 [0,0,0,0,0,1|2,1,0]=4 527 B8R1.5 OC1=CC=CN=C1Cl C10469 [0,0,0,0,0,1|2,1,0]=4 528 B8R1.5 OC1=CC=CN=C1F F40850 [0,0,0,0,0,1|2,1,0]=4 529 B8R1.5 OC1=CC=CN=C1I H23528 [0,0,0,0,0,1|2,1,0]=4 530 B8R1.5 OC1=NC=CN=C1Br B40038 [0,0,0,0,0,1|2,1,0]=4 531 B8R1.5 OC1=NC=CN=C1O P40073 [0,0,0,0,0,1|2,1,0]=4 532 B8R1.5 SC1=C(Br)C=NC=C1 B67001 [0,0,0,0,0,1|2,0,0]=3 533 B5R0.1 C=C(C)OCC E5573 [1,0,1,0,0,0|0,0,2]=4 534 B5R0.1 C=CC[C@H](C)O P62507 [1,0,1,0,0,0|0,0,2]=4 535 B5R0.1 O=C(O)\C=C\Br B9431 [1,0,1,0,0,0|2,0,0]=4 536 B5R0.2 CCO\C=C/Br B2725 [1,0,1,0,0,0|1,0,1]=4 537 B5R0.3 C=CC(=O)NC M37664 [1,0,1,0,0,0|1,1,0]=4 538 B5R0.3 C=C[C@H](C)ON B40346 [1,0,1,0,0,0|1,0,1]=4 539 B5R0.5 C=C(F)C(=O)O F39831 [1,0,1,0,0,0|2,0,0]=4 540 B5R1.1 C1=COC=N1 X1773 [2,0,0,0,0,0|1,0,0]=3 541 B5R1.1 C1=CSC=N1 T0971 [2,0,0,0,0,0|1,1,0]=4 542 B5R1.1 C1=CSN=C1 T39830 [2,0,0,0,0,0|1,1,0]=4 543 B7R0.3 COC=CC(=O)OC M39186 [0,1,1,0,0,0|1,1,0]=4 544 B7R0.3 CO\C=C\C(=O)OC M41228 [0,1,1,0,0,0|1,1,0]=4 545 B7R0.4 CCOC=CC(=O)O E41226 [0,1,1,0,0,0|0,1,1]=4 546 B7R1.1 BrCC1=CSC=C1 B60823 [1,1,0,0,0,0|1,1,0]=4 547 B7R1.1 BrCC1=NC=CN1 B40117 [1,1,0,0,0,0|2,0,0]=4 548 B7R1.1 C#CC1=CC=CS1 E42371 [1,1,0,0,0,0|0,1,1]=4 549 B7R1.1 C#CC1=CSC=C1 E42372 [1,1,0,0,0,0|1,1,0]=4 550 B7R1.1 C=CC1=CC=CS1 V38168 [1,1,0,0,0,0|0,1,1]=4 551 B7R1.1 CCC1=NC=CN1 E68629 [1,1,0,0,0,0|2,0,0]=4 552 B7R1.1 CCC1=NN=CO1 E37555 [1,1,0,0,0,0|2,0,0]=4 553 B7R1.1 CNC1=NC=CS1 M67793 [1,1,0,0,0,0|1,1,0]=4 554 B7R1.1 COC1=CC=CS1 M41123 [1,1,0,0,0,0|0,1,0]=3 555 B7R1.1 COC1=CSC=C1 M41124 [1,1,0,0,0,0|0,2,0]=4 556 B7R1.1 COC1=NC=CS1 M2608 [1,1,0,0,0,0|1,1,0]=4 557 B7R1.1 CSC1=NC=CO1 M40164 [1,1,0,0,0,0|1,0,0]=3 558 B7R1.1 ClCC1=CN=CS1 C32421 [1,1,0,0,0,0|1,1,0]=4 559 B7R1.1 ClCC1=CNC=N1 C2088 [1,1,0,0,0,0|2,0,0]=4 560 B7R1.1 ClCC1=CSC=N1 C2334 [1,1,0,0,0,0|2,0,0]=4 561 B7R1.1 ClCC1=NC=CO1 C40107 [1,1,0,0,0,0|1,0,0]=3 562 B7R1.1 N#CC1=CC=CN1 P0691 [1,1,0,0,0,0|1,0,1]=4 563 B7R1.1 N#CC1=CC=CO1 F40652 [1,1,0,0,0,0|0,0,1]=3 564 B7R1.1 N#CC1=CC=CS1 T40685 [1,1,0,0,0,0|0,1,1]=4 565 B7R1.1 N#CC1=CC=NO1 X67351 [1,1,0,0,0,0|1,0,1]=4 566 B7R1.1 N#CC1=CNC=C1 P40700 [1,1,0,0,0,0|2,0,0]=4 567 B7R1.1 N#CC1=COC=N1 O7925 [1,1,0,0,0,0|2,0,0]=4 568 B7R1.1 N#CC1=CSC=C1 C12829 [1,1,0,0,0,0|1,1,0]=4 569 B7R1.1 N#CC1=NOC=C1 C14745 [1,1,0,0,0,0|2,0,0]=4 570 B7R1.1 NCC1=CC=CN1 P41359 [1,1,0,0,0,0|1,0,0]=3 571 B7R1.1 NCC1=CC=CS1 A12813 [1,1,0,0,0,0|0,1,0]=3 572 B7R1.1 NCC1=CC=NO1 K40323 [1,1,0,0,0,0|1,0,0]=3 573 B7R1.1 NCC1=CN=CN1 A69377 [1,1,0,0,0,0|2,0,0]=4 574 B7R1.1 NCC1=CN=CO1 X11178 [1,1,0,0,0,0|1,0,0]=3 575 B7R1.1 NCC1=CN=CO1 X17340 [1,1,0,0,0,0|1,0,0]=3 576 B7R1.1 NCC1=CN=CS1 T11225 [1,1,0,0,0,0|1,1,0]=4 577 B7R1.1 NCC1=CN=CS1 T37607 [1,1,0,0,0,0|1,1,0]=4 578 B7R1.1 NCC1=CN=CS1 T40190 [1,1,0,0,0,0|1,1,0]=4 579 B7R1.1 NCC1=CNC=C1 P26218 [1,1,0,0,0,0|2,0,0]=4 580 B7R1.1 NCC1=CNC=N1 K40332 [1,1,0,0,0,0|2,0,0]=4 581 B7R1.1 NCC1=COC=N1 A40322 [1,1,0,0,0,0|2,0,0]=4 582 B7R1.1 NCC1=COC=N1 O7924 [1,1,0,0,0,0|2,0,0]=4 583 B7R1.1 NCC1=COC=N1 X11296 [1,1,0,0,0,0|2,0,0]=4 584 B7R1.1 NCC1=CON=C1 A14706 [1,1,0,0,0,0|2,0,0]=4 585 B7R1.1 NCC1=CON=C1 I29534 [1,1,0,0,0,0|2,0,0]=4 586 B7R1.1 NCC1=CSC=C1 T41357 [1,1,0,0,0,0|1,1,0]=4 587 B7R1.1 NCC1=CSC=N1 T13924 [1,1,0,0,0,0|2,0,0]=4 588 B7R1.1 NCC1=CSC=N1 T29521 [1,1,0,0,0,0|2,0,0]=4 589 B7R1.1 NCC1=NC=CN1 A14237 [1,1,0,0,0,0|2,0,0]=4 590 B7R1.1 NCC1=NC=CN1 K40331 [1,1,0,0,0,0|2,0,0]=4 591 B7R1.1 NCC1=NC=CS1 A11223 [1,1,0,0,0,0|1,1,0]=4 592 B7R1.1 NCC1=NC=CS1 T11224 [1,1,0,0,0,0|1,1,0]=4 593 B7R1.1 NCC1=NC=CS1 T24256 [1,1,0,0,0,0|1,1,0]=4 594 B7R1.1 NCC1=NNC=C1 P9792 [1,1,0,0,0,0|2,0,0]=4 595 B7R1.1 NCC1=NOC=C1 I29536 [1,1,0,0,0,0|2,0,0]=4 596 B7R1.1 NCC1=NOC=C1 I7943 [1,1,0,0,0,0|2,0,0]=4 597 B7R1.1 NCC1=NSC=C1 I15218 [1,1,0,0,0,0|2,0,0]=4 598 B7R1.1 O=CC1=CC=CN1 P64891 [1,1,0,0,0,0|1,0,1]=4 599 B7R1.1 O=CC1=CC=CS1 T68614 [1,1,0,0,0,0|0,1,1]=4 600 B7R1.1 O=CC1=CC=NO1 K40060 [1,1,0,0,0,0|1,0,1]=4 601 B7R1.1 O=CC1=CN=CO1 X11928 [1,1,0,0,0,0|1,0,1]=4 602 B7R1.1 O=CC1=CNC=C1 P25022 [1,1,0,0,0,0|1,1,0]=4 603 B7R1.1 O=CC1=COC=C1 F65465 [1,1,0,0,0,0|0,1,0]=3 604 B7R1.1 O=CC1=CSC=C1 T12697 [1,1,0,0,0,0|0,2,0]=4 605 B7R1.1 O=CC1=NOC=C1 I0114 [1,1,0,0,0,0|1,1,0]=4 606 B7R1.1 OCC1=CC=CS1 T12815 [1,1,0,0,0,0|0,1,0]=3 607 B7R1.1 OCC1=CC=NO1 K40159 [1,1,0,0,0,0|1,0,0]=3 608 B7R1.1 OCC1=CN=CN1 I14077 [1,1,0,0,0,0|2,0,0]=4 609 B7R1.1 OCC1=CN=CO1 X14033 [1,1,0,0,0,0|1,0,0]=3 610 B7R1.1 OCC1=CN=CS1 T2166 [1,1,0,0,0,0|1,1,0]=4 611 B7R1.1 OCC1=CNC=N1 H2067 [1,1,0,0,0,0|2,0,0]=4 612 B7R1.1 OCC1=COC=C1 F41115 [1,1,0,0,0,0|0,1,0]=3 613 B7R1.1 OCC1=COC=N1 O7923 [1,1,0,0,0,0|1,1,0]=4 614 B7R1.1 OCC1=CON=C1 H14705 [1,1,0,0,0,0|1,1,0]=4 615 B7R1.1 OCC1=CSC=C1 T12827 [1,1,0,0,0,0|0,2,0]=4 616 B7R1.1 OCC1=CSC=N1 T2165 [1,1,0,0,0,0|2,0,0]=4 617 B7R1.1 OCC1=NC=CN1 I38716 [1,1,0,0,0,0|2,0,0]=4 618 B7R1.1 OCC1=NC=CO1 X14019 [1,1,0,0,0,0|1,0,0]=3 619 B7R1.1 OCC1=NC=CS1 H3028 [1,1,0,0,0,0|1,1,0]=4 620 B7R1.1 OCC1=NNC=C1 H7696 [1,1,0,0,0,0|2,0,0]=4 621 B7R1.1 OCC1=NOC=C1 I11321 [1,1,0,0,0,0|1,1,0]=4 622 B7R1.1 OCN1C=CC=N1 P9800 [1,1,0,0,0,0|2,0,0]=4 623 B7R1.2 CC1=CC(=O)CC1 M22783 [1,1,0,0,0,0|1,0,1]=4 624 B7R1.2 CC1=CC(=O)CO1 M41117 [1,1,0,0,0,0|0,0,1]=3 625 B7R1.2 CC1=CC(=O)NN1 M12010 [1,1,0,0,0,0|2,0,0]=4 626 B7R1.2 CC1=CC(=O)NO1 M68379 [1,1,0,0,0,0|1,0,0]=3 627 B7R1.2 CC1=CC(Br)=CS1 B40867 [1,1,0,0,0,0|0,1,0]=3 628 B7R1.2 CC1=CC(Br)=NN1 B9765 [1,1,0,0,0,0|2,0,0]=4 629 B7R1.2 CC1=CC(Br)=NO1 B2183 [1,1,0,0,0,0|1,0,0]=3 630 B7R1.2 CC1=CC(C)=NO1 D39182 [1,1,0,0,0,0|1,0,0]=3 631 B7R1.2 CC1=CC(Cl)=NN1 C7548 [1,1,0,0,0,0|2,0,0]=4 632 B7R1.2 CC1=CC(I)=NN1 I26594 [1,1,0,0,0,0|2,0,0]=4 633 B7R1.2 CC1=CC(N)=NN1 A11614 [1,1,0,0,0,0|2,0,0]=4 634 B7R1.2 CC1=CC(N)=NO1 A12655 [1,1,0,0,0,0|1,0,0]=3 635 B7R1.2 CC1=CC=C(Br)O1 B41015 [1,1,0,0,0,0|0,0,0]=2 636 B7R1.2 CC1=CC=C(Br)S1 B40865 [1,1,0,0,0,0|0,1,0]=3 637 B7R1.2 CC1=CC=C(C)S1 D43320 [1,1,0,0,0,0|0,1,0]=3 638 B7R1.2 CC1=CC=C(I)S1 K40868 [1,1,0,0,0,0|0,1,0]=3 639 B7R1.2 CC1=CN(C)N=C1 D69464 [1,1,0,0,0,0|2,0,0]=4 640 B7R1.2 CC1=CN=C(Br)S1 B40104 [1,1,0,0,0,0|1,1,0]=4 641 B7R1.2 CC1=CN=C(C)S1 D38993 [1,1,0,0,0,0|1,1,0]=4 642 B7R1.2 CC1=CN=C(Cl)S1 C1978 [1,1,0,0,0,0|1,1,0]=4 643 B7R1.2 CC1=CN=C(N)S1 A69715 [1,1,0,0,0,0|1,1,0]=4 644 B7R1.2 CC1=CN=C(N)S1 M69725 [1,1,0,0,0,0|1,1,0]=4 645 B7R1.2 CC1=CNC(Br)=N1 B40115 [1,1,0,0,0,0|2,0,0]=4 646 B7R1.2 CC1=CNC(C)=N1 D41187 [1,1,0,0,0,0|2,0,0]=4 647 B7R1.2 CC1=CNC(I)=N1 K40123 [1,1,0,0,0,0|2,0,0]=4 648 B7R1.2 CC1=COC(N)=N1 A2053 [1,1,0,0,0,0|2,0,0]=4 649 B7R1.2 CC1=CSC(Br)=N1 B2087 [1,1,0,0,0,0|2,0,0]=4 650 B7R1.2 CC1=CSC(C)=N1 D41174 [1,1,0,0,0,0|1,1,0]=4 651 B7R1.2 CC1=CSC(N)=C1 A0597 [1,1,0,0,0,0|1,1,0]=4 652 B7R1.2 CC1=NC(Br)=CN1 B2121 [1,1,0,0,0,0|2,0,0]=4 653 B7R1.2 CC1=NC(Br)=CS1 B2069 [1,1,0,0,0,0|1,1,0]=4 654 B7R1.2 CC1=NC(N)=NO1 M39856 [1,1,0,0,0,0|2,0,0]=4 655 B7R1.2 CC1=NC=C(Br)S1 B5222 [1,1,0,0,0,0|1,1,0]=4 656 B7R1.2 CC1=NC=C(I)N1 K40124 [1,1,0,0,0,0|2,0,0]=4 657 B7R1.2 CC1=NC=C(N)S1 M40189 [1,1,0,0,0,0|1,1,0]=4 658 B7R1.2 CC1=NN(C)C=C1 D4115 [1,1,0,0,0,0|2,0,0]=4 659 B7R1.2 CC1=NN=C(Br)O1 B62443 [1,1,0,0,0,0|2,0,0]=4 660 B7R1.2 CC1=NN=C(C)O1 D13454 [1,1,0,0,0,0|2,0,0]=4 661 B7R1.2 CC1=NN=C(N)O1 M5216 [1,1,0,0,0,0|2,0,0]=4 662 B7R1.2 CC1=NNC(=O)O1 M39837 [1,1,0,0,0,0|2,0,0]=4 663 B7R1.2 CC1=NNC(=S)O1 M62067 [1,1,0,0,0,0|2,0,0]=4 664 B7R1.2 CC1=NNC(Br)=C1 B40114 [1,1,0,0,0,0|2,0,0]=4 665 B7R1.2 CC1=NNC(I)=C1 K40122 [1,1,0,0,0,0|2,0,0]=4 666 B7R1.2 CC1=NNC(N)=C1 M40220 [1,1,0,0,0,0|2,0,0]=4 667 B7R1.2 CC1=NNC(O)=C1 M0907 [1,1,0,0,0,0|2,0,0]=4 668 B7R1.2 CC1=NOC(N)=C1 A37936 [1,1,0,0,0,0|2,0,0]=4 669 B7R1.2 CC1=NSC(I)=C1 I6114 [1,1,0,0,0,0|2,0,0]=4 670 B7R1.2 CC1=NSC(N)=C1 M65783 [1,1,0,0,0,0|2,0,0]=4 671 B7R1.2 CN1C=C(Br)C=N1 B7572 [1,1,0,0,0,0|2,0,0]=4 672 B7R1.2 CN1C=C(Cl)C=N1 C40119 [1,1,0,0,0,0|2,0,0]=4 673 B7R1.2 CN1C=C(I)C=N1 I23483 [1,1,0,0,0,0|2,0,0]=4 674 B7R1.2 CN1C=C(N)C=N1 A10471 [1,1,0,0,0,0|2,0,0]=4 675 B7R1.2 CN1C=C(N)C=N1 M24961 [1,1,0,0,0,0|2,0,0]=4 676 B7R1.2 CN1C=C(N)C=N1 M40360 [1,1,0,0,0,0|2,0,0]=4 677 B7R1.2 CN1C=C(O)C=N1 M38839 [1,1,0,0,0,0|2,0,0]=4 678 B7R1.2 CN1C=CC(=O)N1 M40182 [1,1,0,0,0,0|2,0,0]=4 679 B7R1.2 CN1C=CC(Br)=N1 B5930 [1,1,0,0,0,0|2,0,0]=4 680 B7R1.2 CN1C=CC(Cl)=N1 C64917 [1,1,0,0,0,0|2,0,0]=4 681 B7R1.2 CN1C=CC(I)=N1 M13226 [1,1,0,0,0,0|2,0,0]=4 682 B7R1.2 CN1C=CC(N)=N1 A3263 [1,1,0,0,0,0|2,0,0]=4 683 B7R1.2 ClC1=CC=C(Br)S1 B39971 [1,1,0,0,0,0|1,1,0]=4 684 B7R1.2 ClC1=CC=C(I)S1 C39974 [1,1,0,0,0,0|1,1,0]=4 685 B7R1.2 IC1=COC(I)=N1 D6541 [1,1,0,0,0,0|2,0,0]=4 686 B7R1.2 NC1=CSC(Cl)=C1 A14220 [1,1,0,0,0,0|1,1,0]=4 687 B7R1.2 NC1=CSC(Cl)=C1 A7362 [1,1,0,0,0,0|1,1,0]=4 688 B7R1.2 O=C1C=C(Br)CO1 B3416 [1,1,0,0,0,0|1,0,1]=4 689 B7R1.2 O=C1CC(O)=CO1 H1405 [1,1,0,0,0,0|0,1,1]=4 690 B7R1.2 OC1=CC=C(Br)S1 B40069 [1,1,0,0,0,0|1,1,0]=4 691 B9R1.2 BrCC1=CC=CC(Br)=C1 B39369 [0,1,0,0,0,1|2,0,0]=4 692 B9R1.2 BrCC1=CC=CC(Br)=N1 B42519 [0,1,0,0,0,1|2,0,0]=4 693 B9R1.2 BrCC1=CC=CC(I)=C1 B45170 [0,1,0,0,0,1|2,0,0]=4 694 B9R1.2 C#CC1=CC(C)=CC=C1 E51331 [0,1,0,0,0,1|2,0,0]=4 695 B9R1.2 C#CC1=NC(C)=CC=C1 E13754 [0,1,0,0,0,1|2,0,0]=4 696 B9R1.2 C=CC1=NC(C)=CC=C1 M16640 [0,1,0,0,0,1|2,0,0]=4 697 B9R1.2 CC1=CC(CCl)=NC=C1 C46106 [0,1,0,0,0,1|2,0,0]=4 698 B9R1.2 CC1=CC(CN)=NC=C1 A62602 [0,1,0,0,0,1|2,0,0]=4 699 B9R1.2 CC1=CC(CN)=NC=C1 M46587 [0,1,0,0,0,1|2,0,0]=4 700 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [0,1,0,0,0,1|2,0,0]=4 701 B9R1.2 CC1=CC=CC(C#N)=N1 C7796 [0,1,0,0,0,1|2,0,0]=4 702 B9R1.2 CC1=CC=CC(C=O)=N1 M67935 [0,1,0,0,0,1|1,1,0]=4 703 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [0,1,0,0,0,1|2,0,0]=4 704 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [0,1,0,0,0,1|2,0,0]=4 705 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [0,1,0,0,0,1|2,0,0]=4 706 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [0,1,0,0,0,1|2,0,0]=4 707 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [0,1,0,0,0,1|2,0,0]=4 708 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [0,1,0,0,0,1|1,1,0]=4 709 B9R1.2 CC1=CC=CC(NN)=C1 M46458 [0,1,0,0,0,1|2,0,0]=4 710 B9R1.2 CC1=CC=CC(NN)=N1 H69493 [0,1,0,0,0,1|2,0,0]=4 711 B9R1.2 CC1=CC=NC(CCl)=N1 C11471 [0,1,0,0,0,1|2,0,0]=4 712 B9R1.2 CC1=CC=NC(CN)=N1 A14426 [0,1,0,0,0,1|2,0,0]=4 713 B9R1.2 CC1=CC=NC(CN)=N1 M29730 [0,1,0,0,0,1|2,0,0]=4 714 B9R1.2 CC1=CC=NC(CO)=N1 H11472 [0,1,0,0,0,1|2,0,0]=4 715 B9R1.2 CC1=NC=CC(C=O)=C1 M36797 [0,1,0,0,0,1|1,1,0]=4 716 B9R1.2 CC1=NC=CC(C=O)=N1 M42771 [0,1,0,0,0,1|1,1,0]=4 717 B9R1.2 CC1=NC=CC(CBr)=C1 B37231 [0,1,0,0,0,1|2,0,0]=4 718 B9R1.2 CC1=NC=CC(CN)=C1 M46586 [0,1,0,0,0,1|2,0,0]=4 719 B9R1.2 CC1=NC=CC(CO)=C1 M4019 [0,1,0,0,0,1|1,1,0]=4 720 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [0,1,0,0,0,1|2,0,0]=4 721 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [0,1,0,0,0,1|2,0,0]=4 722 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [0,1,0,0,0,1|2,0,0]=4 723 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [0,1,0,0,0,1|2,0,0]=4 724 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [0,1,0,0,0,1|2,0,0]=4 725 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [0,1,0,0,0,1|2,0,0]=4 726 B9R1.2 CCC1=NC=CC(Cl)=N1 C29661 [0,1,0,0,0,1|2,0,0]=4 727 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [0,1,0,0,0,1|2,0,0]=4 728 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [0,1,0,0,0,1|2,0,0]=4 729 B9R1.2 CNC1=CC=CC(Br)=C1 B46077 [0,1,0,0,0,1|2,0,0]=4 730 B9R1.2 CNC1=CC=CC(Br)=C1 B66504 [0,1,0,0,0,1|2,0,0]=4 731 B9R1.2 CNC1=CC=CC(Cl)=N1 C43001 [0,1,0,0,0,1|2,0,0]=4 732 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [0,1,0,0,0,1|2,0,0]=4 733 B9R1.2 CNC1=NC=CC(Br)=C1 B23788 [0,1,0,0,0,1|2,0,0]=4 734 B9R1.2 CNC1=NC=CC(Br)=N1 B41064 [0,1,0,0,0,1|2,0,0]=4 735 B9R1.2 CNC1=NC=CC(Cl)=N1 C22466 [0,1,0,0,0,1|2,0,0]=4 736 B9R1.2 CNC1=NC=CC(N)=C1 M43544 [0,1,0,0,0,1|2,0,0]=4 737 B9R1.2 COC1=CC(C)=NC=C1 M22575 [0,1,0,0,0,1|1,1,0]=4 738 B9R1.2 COC1=CC(O)=CC=C1 M27960 [0,1,0,0,0,1|1,1,0]=4 739 B9R1.2 COC1=CC=CC(Br)=N1 B2785 [0,1,0,0,0,1|2,0,0]=4 740 B9R1.2 COC1=CC=CC(Cl)=N1 C39269 [0,1,0,0,0,1|2,0,0]=4 741 B9R1.2 COC1=CC=CC(F)=C1 F45965 [0,1,0,0,0,1|2,0,0]=4 742 B9R1.2 COC1=CC=CC(F)=N1 F67375 [0,1,0,0,0,1|2,0,0]=4 743 B9R1.2 COC1=CC=CC(I)=C1 K45966 [0,1,0,0,0,1|2,0,0]=4 744 B9R1.2 COC1=CC=CC(I)=N1 K42932 [0,1,0,0,0,1|2,0,0]=4 745 B9R1.2 COC1=CC=CC([Mg+])=C1 M31743 [0,1,0,0,0,1|2,0,0]=4 746 B9R1.2 COC1=NC(C)=CC=C1 M46380 [0,1,0,0,0,1|1,1,0]=4 747 B9R1.2 COC1=NC(C)=CC=N1 M43202 [0,1,0,0,0,1|2,0,0]=4 748 B9R1.2 COC1=NC(C)=NC=C1 M43205 [0,1,0,0,0,1|1,1,0]=4 749 B9R1.2 COC1=NC(N)=CC=C1 A43190 [0,1,0,0,0,1|2,0,0]=4 750 B9R1.2 COC1=NC(N)=CC=N1 A4018 [0,1,0,0,0,1|2,0,0]=4 751 B9R1.2 COC1=NC=CC(Br)=C1 B3113 [0,1,0,0,0,1|2,0,0]=4 752 B9R1.2 COC1=NC=CC(Br)=N1 B5967 [0,1,0,0,0,1|2,0,0]=4 753 B9R1.2 COC1=NC=CC(C)=C1 M46379 [0,1,0,0,0,1|2,0,0]=4 754 B9R1.2 COC1=NC=CC(Cl)=C1 C42902 [0,1,0,0,0,1|2,0,0]=4 755 B9R1.2 COC1=NC=CC(Cl)=N1 C40930 [0,1,0,0,0,1|2,0,0]=4 756 B9R1.2 COC1=NC=CC(F)=C1 F42927 [0,1,0,0,0,1|2,0,0]=4 757 B9R1.2 COC1=NC=CC(I)=C1 K60534 [0,1,0,0,0,1|2,0,0]=4 758 B9R1.2 COC1=NC=CC(N)=C1 M3947 [0,1,0,0,0,1|2,0,0]=4 759 B9R1.2 COC1=NC=CC(O)=C1 M38428 [0,1,0,0,0,1|1,1,0]=4 760 B9R1.2 CSC1=CC(N)=CC=C1 M46442 [0,1,0,0,0,1|2,0,0]=4 761 B9R1.2 CSC1=CC=CC(Br)=C1 B45613 [0,1,0,0,0,1|2,0,0]=4 762 B9R1.2 CSC1=CC=CC(Br)=N1 B2786 [0,1,0,0,0,1|2,0,0]=4 763 B9R1.2 CSC1=CC=NC(Cl)=N1 C2667 [0,1,0,0,0,1|2,0,0]=4 764 B9R1.2 CSC1=NC(O)=CC=N1 M5030 [0,1,0,0,0,1|1,1,0]=4 765 B9R1.2 CSC1=NC=CC(Br)=N1 B40874 [0,1,0,0,0,1|2,0,0]=4 766 B9R1.2 CSC1=NC=CC(Cl)=C1 C42846 [0,1,0,0,0,1|2,0,0]=4 767 B9R1.2 CSC1=NC=CC(Cl)=N1 C2497 [0,1,0,0,0,1|2,0,0]=4 768 B9R1.2 CSC1=NC=CC(I)=N1 I2674 [0,1,0,0,0,1|2,0,0]=4 769 B9R1.2 ClC1=CC=CC(CBr)=C1 B39371 [0,1,0,0,0,1|2,0,0]=4 770 B9R1.2 ClCC1=CC=CC(Br)=C1 B45159 [0,1,0,0,0,1|2,0,0]=4 771 B9R1.2 ClCC1=CC=CC(Br)=N1 B27809 [0,1,0,0,0,1|2,0,0]=4 772 B9R1.2 ClCC1=CC=CC(Cl)=N1 C42562 [0,1,0,0,0,1|2,0,0]=4 773 B9R1.2 ClCC1=CC=CC(I)=C1 C45183 [0,1,0,0,0,1|2,0,0]=4 774 B9R1.2 ClCC1=NC=CC(Cl)=C1 C32395 [0,1,0,0,0,1|2,0,0]=4 775 B9R1.2 FC1=CC=CC(CBr)=C1 B45165 [0,1,0,0,0,1|2,0,0]=4 776 B9R1.2 FC1=CC=CC(CBr)=N1 B42547 [0,1,0,0,0,1|2,0,0]=4 777 B9R1.2 FC1=CC=CC(CCl)=N1 C42570 [0,1,0,0,0,1|2,0,0]=4 778 B9R1.2 NC1=CC(CO)=NC=C1 A15900 [0,1,0,0,0,1|2,0,0]=4 779 B9R1.2 NC1=CC=CC(CO)=C1 A37868 [0,1,0,0,0,1|2,0,0]=4 780 B9R1.2 NC1=CC=CC(CO)=N1 A43208 [0,1,0,0,0,1|2,0,0]=4 781 B9R1.2 NCC1=CC=CC(Br)=C1 B46079 [0,1,0,0,0,1|2,0,0]=4 782 B9R1.2 NCC1=CC=CC(Br)=N1 B42981 [0,1,0,0,0,1|2,0,0]=4 783 B9R1.2 NCC1=CC=CC(Cl)=C1 C46098 [0,1,0,0,0,1|2,0,0]=4 784 B9R1.2 NCC1=CC=CC(Cl)=N1 C43006 [0,1,0,0,0,1|2,0,0]=4 785 B9R1.2 NCC1=CC=CC(F)=C1 F15968 [0,1,0,0,0,1|2,0,0]=4 786 B9R1.2 NCC1=CC=CC(I)=C1 K46122 [0,1,0,0,0,1|2,0,0]=4 787 B9R1.2 NCC1=CC=CC(N)=C1 A43599 [0,1,0,0,0,1|2,0,0]=4 788 B9R1.2 NCC1=NC=CC(Br)=C1 A1747 [0,1,0,0,0,1|2,0,0]=4 789 B9R1.2 NCC1=NC=CC(Br)=C1 B42982 [0,1,0,0,0,1|2,0,0]=4 790 B9R1.2 NCC1=NC=CC(Cl)=C1 A14281 [0,1,0,0,0,1|2,0,0]=4 791 B9R1.2 NCC1=NC=CC(F)=C1 F43529 [0,1,0,0,0,1|2,0,0]=4 792 B9R1.2 O=C1C=CC=C(CO)N1 H23237 [0,1,0,0,0,1|1,1,0]=4 793 B9R1.2 O=C1C=CN=C(CCl)N1 C40934 [0,1,0,0,0,1|1,1,0]=4 794 B9R1.2 OC1=CC=CC(CBr)=C1 B38962 [0,1,0,0,0,1|1,1,0]=4 795 B9R1.2 OCC1=CC=CC(Br)=N1 B12271 [0,1,0,0,0,1|2,0,0]=4 796 B9R1.2 OCC1=CC=CC(Cl)=C1 C39405 [0,1,0,0,0,1|2,0,0]=4 797 B9R1.2 OCC1=CC=CC(Cl)=N1 C38619 [0,1,0,0,0,1|2,0,0]=4 798 B9R1.2 OCC1=CC=CC(Cl)=N1 C42916 [0,1,0,0,0,1|2,0,0]=4 799 B9R1.2 OCC1=CC=CC(F)=C1 F39408 [0,1,0,0,0,1|2,0,0]=4 800 B9R1.2 OCC1=CC=CC(F)=N1 F67771 [0,1,0,0,0,1|2,0,0]=4 801 B9R1.2 OCC1=CC=CC(I)=C1 H61971 [0,1,0,0,0,1|2,0,0]=4 802 B9R1.2 OCC1=NC=CC(Br)=C1 B0602 [0,1,0,0,0,1|2,0,0]=4 803 B9R1.2 OCC1=NC=CC(Cl)=C1 C12436 [0,1,0,0,0,1|2,0,0]=4 804 B9R1.2 OCC1=NC=CC(F)=C1 F37340 [0,1,0,0,0,1|2,0,0]=4 805 B9R1.3 CC1=CC=CC(Br)=C1Cl B45161 [0,1,0,0,0,1|2,0,0]=4 806 B9R1.3 CC1=CC=CC(Br)=C1F B45166 [0,1,0,0,0,1|2,0,0]=4 807 B9R1.3 CC1=CC=CC(Br)=C1I B45172 [0,1,0,0,0,1|2,0,0]=4 808 B9R1.3 CC1=CC=CC(Br)=C1N B9480 [0,1,0,0,0,1|2,0,0]=4 809 B9R1.3 CC1=CC=CC(Br)=C1O B45946 [0,1,0,0,0,1|2,0,0]=4 810 B9R1.3 CC1=CC=CC(C)=C1Br D49159 [0,1,0,0,0,1|2,0,0]=4 811 B9R1.3 CC1=CC=CC(C)=C1Cl C68697 [0,1,0,0,0,1|2,0,0]=4 812 B9R1.3 CC1=CC=CC(C)=C1F F49164 [0,1,0,0,0,1|2,0,0]=4 813 B9R1.3 CC1=CC=CC(C)=C1I K49169 [0,1,0,0,0,1|2,0,0]=4 814 B9R1.3 CC1=CC=CC(C)=C1[Mg+] D31737 [0,1,0,0,0,1|2,0,0]=4 815 B9R1.3 CC1=CC=CC(Cl)=C1Br B45162 [0,1,0,0,0,1|2,0,0]=4 816 B9R1.3 CC1=CC=CC(Cl)=C1I C45181 [0,1,0,0,0,1|2,0,0]=4 817 B9R1.3 CC1=CC=CC(Cl)=C1N C46093 [0,1,0,0,0,1|2,0,0]=4 818 B9R1.3 CC1=CC=CC(F)=C1Br B45169 [0,1,0,0,0,1|2,0,0]=4 819 B9R1.3 CC1=CC=CC(F)=C1C F49163 [0,1,0,0,0,1|2,0,0]=4 820 B9R1.3 CC1=CC=CC(F)=C1F D45187 [0,1,0,0,0,1|2,0,0]=4 821 B9R1.3 CC1=CC=CC(F)=C1I F45190 [0,1,0,0,0,1|2,0,0]=4 822 B9R1.3 CC1=CC=CC(F)=C1N F38493 [0,1,0,0,0,1|2,0,0]=4 823 B9R1.3 CC1=CC=CC(I)=C1Br B45174 [0,1,0,0,0,1|2,0,0]=4 824 B9R1.3 CC1=CC=CC(I)=C1C K49168 [0,1,0,0,0,1|2,0,0]=4 825 B9R1.3 CC1=CC=CC(I)=C1Cl C45184 [0,1,0,0,0,1|2,0,0]=4 826 B9R1.3 CC1=CC=CC(N)=C1Br B46073 [0,1,0,0,0,1|2,0,0]=4 827 B9R1.3 CC1=CC=CC(N)=C1Cl C46091 [0,1,0,0,0,1|2,0,0]=4 828 B9R1.3 CC1=CC=CC(N)=C1F A37863 [0,1,0,0,0,1|2,0,0]=4 829 B9R1.3 CC1=CC=CC(N)=C1I K63048 [0,1,0,0,0,1|2,0,0]=4 830 B9R1.3 CC1=CC=CC(N)=C1N M68904 [0,1,0,0,0,1|2,0,0]=4 831 B9R1.3 CC1=CC=CC(O)=C1Br B45945 [0,1,0,0,0,1|1,1,0]=4 832 B9R1.3 CC1=CC=CC(O)=C1F F45957 [0,1,0,0,0,1|1,1,0]=4 833 B9R1.3 CC1=CC=CC(O)=C1N A46371 [0,1,0,0,0,1|1,1,0]=4 834 B9R1.3 CC1=CC=CC(O)=C1O M68593 [0,1,0,0,0,1|1,1,0]=4 835 B9R1.3 CC1=CC=CC([Mg+])=C1C D31734 [0,1,0,0,0,1|2,0,0]=4 836 B9R1.3 CC1=CC=NC(C)=C1Br B46081 [0,1,0,0,0,1|2,0,0]=4 837 B9R1.3 CC1=NC=CC(Br)=C1C B46083 [0,1,0,0,0,1|2,0,0]=4 838 B9R1.3 CC1=NC=CC(Br)=C1F B32156 [0,1,0,0,0,1|2,0,0]=4 839 B9R1.3 CC1=NC=CC(Cl)=C1F C42575 [0,1,0,0,0,1|2,0,0]=4 840 B9R1.3 CC1=NC=CC(N)=C1C A9714 [0,1,0,0,0,1|2,0,0]=4 841 B9R1.3 CC1=NC=CC(N)=C1F F43014 [0,1,0,0,0,1|2,0,0]=4 842 B9R1.3 CC1=NC=CC(N)=C1N M43332 [0,1,0,0,0,1|2,0,0]=4 843 B9R1.3 SC1=CC=CC(Cl)=C1Cl D62484 [0,1,0,0,0,1|2,0,0]=4 844 B9R1.34 CC1=CC(=O)C=C(C)N1 D4504 [0,1,0,0,0,1|1,1,0]=4 845 B9R1.34 CC1=CC(Br)=CC(Br)=C1 D39367 [0,1,0,0,0,1|2,0,0]=4 846 B9R1.34 CC1=CC(Br)=CC(Br)=N1 D25404 [0,1,0,0,0,1|2,0,0]=4 847 B9R1.34 CC1=CC(Br)=CC(C)=N1 B32225 [0,1,0,0,0,1|2,0,0]=4 848 B9R1.34 CC1=CC(Br)=CC(Cl)=C1 B45157 [0,1,0,0,0,1|2,0,0]=4 849 B9R1.34 CC1=CC(Br)=CC(Cl)=N1 B42535 [0,1,0,0,0,1|2,0,0]=4 850 B9R1.34 CC1=CC(Br)=CC(F)=C1 B45167 [0,1,0,0,0,1|2,0,0]=4 851 B9R1.34 CC1=CC(Br)=CC(F)=N1 B42552 [0,1,0,0,0,1|2,0,0]=4 852 B9R1.34 CC1=CC(Br)=CC(N)=C1 B38464 [0,1,0,0,0,1|2,0,0]=4 853 B9R1.34 CC1=CC(Br)=CC(N)=N1 B32094 [0,1,0,0,0,1|2,0,0]=4 854 B9R1.34 CC1=CC(Br)=CC(O)=C1 B45949 [0,1,0,0,0,1|1,1,0]=4 855 B9R1.34 CC1=CC(Br)=CC(O)=N1 B25850 [0,1,0,0,0,1|1,1,0]=4 856 B9R1.34 CC1=CC(Br)=NC(C)=C1 B23884 [0,1,0,0,0,1|2,0,0]=4 857 B9R1.34 CC1=CC(Br)=NC(C)=N1 B42970 [0,1,0,0,0,1|2,0,0]=4 858 B9R1.34 CC1=CC(C)=CC(Br)=C1 B39512 [0,1,0,0,0,1|2,0,0]=4 859 B9R1.34 CC1=CC(C)=CC(F)=C1 D49162 [0,1,0,0,0,1|2,0,0]=4 860 B9R1.34 CC1=CC(C)=CC([Mg+])=C1 D31739 [0,1,0,0,0,1|2,0,0]=4 861 B9R1.34 CC1=CC(C)=NC(C)=C1 T69125 [0,1,0,0,0,1|2,0,0]=4 862 B9R1.34 CC1=CC(Cl)=CC(C)=N1 C36740 [0,1,0,0,0,1|2,0,0]=4 863 B9R1.34 CC1=CC(Cl)=CC(Cl)=C1 D61038 [0,1,0,0,0,1|2,0,0]=4 864 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 D5517 [0,1,0,0,0,1|2,0,0]=4 865 B9R1.34 CC1=CC(Cl)=CC(N)=C1 C46095 [0,1,0,0,0,1|2,0,0]=4 866 B9R1.34 CC1=CC(Cl)=CC(N)=N1 A69246 [0,1,0,0,0,1|2,0,0]=4 867 B9R1.34 CC1=CC(Cl)=CC(O)=C1 C45956 [0,1,0,0,0,1|1,1,0]=4 868 B9R1.34 CC1=CC(Cl)=NC(C)=C1 C46101 [0,1,0,0,0,1|2,0,0]=4 869 B9R1.34 CC1=CC(Cl)=NC(C)=N1 C23724 [0,1,0,0,0,1|2,0,0]=4 870 B9R1.34 CC1=CC(F)=CC(F)=C1 D45189 [0,1,0,0,0,1|2,0,0]=4 871 B9R1.34 CC1=CC(F)=CC(F)=N1 D36881 [0,1,0,0,0,1|2,0,0]=4 872 B9R1.34 CC1=CC(F)=CC(N)=C1 F46114 [0,1,0,0,0,1|2,0,0]=4 873 B9R1.34 CC1=CC(F)=CC(O)=C1 F45961 [0,1,0,0,0,1|1,1,0]=4 874 B9R1.34 CC1=CC(I)=CC(Cl)=N1 C42583 [0,1,0,0,0,1|2,0,0]=4 875 B9R1.34 CC1=CC(I)=CC(F)=N1 F39127 [0,1,0,0,0,1|2,0,0]=4 876 B9R1.34 CC1=CC(N)=CC(Br)=N1 B9374 [0,1,0,0,0,1|2,0,0]=4 877 B9R1.34 CC1=CC(N)=CC(C)=N1 D3945 [0,1,0,0,0,1|2,0,0]=4 878 B9R1.34 CC1=CC(N)=CC(Cl)=N1 C25407 [0,1,0,0,0,1|2,0,0]=4 879 B9R1.34 CC1=CC(N)=NC(C)=C1 A43617 [0,1,0,0,0,1|2,0,0]=4 880 B9R1.34 CC1=CC(O)=CC(=O)N1 H43145 [0,1,0,0,0,1|1,1,0]=4 881 B9R1.34 CC1=CC(O)=CC(N)=C1 A46373 [0,1,0,0,0,1|1,1,0]=4 882 B9R1.34 CC1=CC(O)=CC(O)=C1 M46232 [0,1,0,0,0,1|1,1,0]=4 883 B9R1.34 CC1=CC(O)=CC(O)=N1 M43137 [0,1,0,0,0,1|1,1,0]=4 884 B9R1.34 CC1=CC(O)=CC(O)=N1 M43138 [0,1,0,0,0,1|1,1,0]=4 885 B9R1.34 CC1=CC(O)=NC(C)=C1 D69531 [0,1,0,0,0,1|1,1,0]=4 886 B9R1.34 CC1=CC(O)=NC(C)=N1 D43193 [0,1,0,0,0,1|1,1,0]=4 887 B9R1.34 CC1=CC([Mg+])=CC(F)=C1 F31750 [0,1,0,0,0,1|2,0,0]=4 888 B9R1.34 CC1=NC(Cl)=CC(Cl)=N1 D12378 [0,1,0,0,0,1|2,0,0]=4 889 B9R1.34 CC1=NC(N)=CC(Br)=N1 A41069 [0,1,0,0,0,1|2,0,0]=4 890 B9R1.34 CC1=NC(N)=CC(Cl)=N1 A12377 [0,1,0,0,0,1|2,0,0]=4 891 B9R1.34 CC1=NC(N)=CC(I)=N1 A41087 [0,1,0,0,0,1|2,0,0]=4 892 B9R1.34 CC1=NC(O)=CC(O)=N1 D39176 [0,1,0,0,0,1|1,1,0]=4 893 B9R1.34 FC1=CC(F)=CC(S)=C1 D42065 [0,1,0,0,0,1|2,0,0]=4 894 B9R1.69 CC1=C(Br)C=CC(Br)=C1 D39368 [0,1,0,0,0,1|2,0,0]=4 895 B9R1.69 CC1=C(Br)C=CC(Br)=N1 D23496 [0,1,0,0,0,1|2,0,0]=4 896 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 B9485 [0,1,0,0,0,1|2,0,0]=4 897 B9R1.69 CC1=C(Br)C=CC(Cl)=N1 B18652 [0,1,0,0,0,1|2,0,0]=4 898 B9R1.69 CC1=C(Br)C=CC(F)=C1 B45168 [0,1,0,0,0,1|2,0,0]=4 899 B9R1.69 CC1=C(Br)C=CC(F)=N1 B42551 [0,1,0,0,0,1|2,0,0]=4 900 B9R1.69 CC1=C(Br)C=CC(I)=C1 B45173 [0,1,0,0,0,1|2,0,0]=4 901 B9R1.69 CC1=C(Br)C=CC(N)=C1 B61976 [0,1,0,0,0,1|2,0,0]=4 902 B9R1.69 CC1=C(Br)C=CC(N)=C1 B67860 [0,1,0,0,0,1|2,0,0]=4 903 B9R1.69 CC1=C(Br)C=CC(N)=N1 B5097 [0,1,0,0,0,1|2,0,0]=4 904 B9R1.69 CC1=C(Br)C=CC(O)=C1 B39404 [0,1,0,0,0,1|1,1,0]=4 905 B9R1.69 CC1=C(Br)C=CC(O)=N1 B42887 [0,1,0,0,0,1|1,1,0]=4 906 B9R1.69 CC1=C(C)C=C(F)C=C1 F49166 [0,1,0,0,0,1|2,0,0]=4 907 B9R1.69 CC1=C(C)C=C(I)C=C1 K49170 [0,1,0,0,0,1|2,0,0]=4 908 B9R1.69 CC1=C(C)C=C([Mg+])C=C1 D31727 [0,1,0,0,0,1|2,0,0]=4 909 B9R1.69 CC1=C(C)N=C(Cl)C=C1 C46102 [0,1,0,0,0,1|2,0,0]=4 910 B9R1.69 CC1=C(C)N=C(N)C=C1 D24371 [0,1,0,0,0,1|2,0,0]=4 911 B9R1.69 CC1=C(Cl)C=CC(Br)=C1 B45163 [0,1,0,0,0,1|2,0,0]=4 912 B9R1.69 CC1=C(Cl)C=CC(Br)=N1 B42536 [0,1,0,0,0,1|2,0,0]=4 913 B9R1.69 CC1=C(Cl)C=CC(Cl)=N1 D42561 [0,1,0,0,0,1|2,0,0]=4 914 B9R1.69 CC1=C(Cl)C=CC(I)=C1 C45179 [0,1,0,0,0,1|2,0,0]=4 915 B9R1.69 CC1=C(Cl)C=CC(N)=C1 C25031 [0,1,0,0,0,1|2,0,0]=4 916 B9R1.69 CC1=C(Cl)C=CC(N)=N1 C42999 [0,1,0,0,0,1|2,0,0]=4 917 B9R1.69 CC1=C(Cl)C=CC(O)=N1 C42907 [0,1,0,0,0,1|1,1,0]=4 918 B9R1.69 CC1=C(Cl)C=CC([Mg+])=C1 C31776 [0,1,0,0,0,1|2,0,0]=4 919 B9R1.69 CC1=C(F)C=CC(Br)=N1 B4782 [0,1,0,0,0,1|2,0,0]=4 920 B9R1.69 CC1=C(F)C=CC(Cl)=C1 C45178 [0,1,0,0,0,1|2,0,0]=4 921 B9R1.69 CC1=C(F)C=CC(Cl)=N1 C26077 [0,1,0,0,0,1|2,0,0]=4 922 B9R1.69 CC1=C(F)C=CC(F)=C1 D45185 [0,1,0,0,0,1|2,0,0]=4 923 B9R1.69 CC1=C(F)C=CC(I)=C1 F39375 [0,1,0,0,0,1|2,0,0]=4 924 B9R1.69 CC1=C(F)C=CC(N)=C1 F39413 [0,1,0,0,0,1|2,0,0]=4 925 B9R1.69 CC1=C(F)C=CC(N)=N1 A16597 [0,1,0,0,0,1|2,0,0]=4 926 B9R1.69 CC1=C(F)C=CC(O)=C1 F45963 [0,1,0,0,0,1|1,1,0]=4 927 B9R1.69 CC1=C(F)C=CC([Mg+])=C1 F31747 [0,1,0,0,0,1|2,0,0]=4 928 B9R1.69 CC1=C(I)C=CC(=O)N1 K42938 [0,1,0,0,0,1|1,1,0]=4 929 B9R1.69 CC1=C(I)C=CC(Br)=C1 B39374 [0,1,0,0,0,1|2,0,0]=4 930 B9R1.69 CC1=C(I)C=CC(Cl)=C1 C45182 [0,1,0,0,0,1|2,0,0]=4 931 B9R1.69 CC1=C(I)C=CC(F)=C1 F39376 [0,1,0,0,0,1|2,0,0]=4 932 B9R1.69 CC1=C(I)C=CC(F)=N1 F42596 [0,1,0,0,0,1|2,0,0]=4 933 B9R1.69 CC1=C(I)C=CC(N)=N1 K43025 [0,1,0,0,0,1|2,0,0]=4 934 B9R1.69 CC1=C(I)C=CC(O)=C1 K45969 [0,1,0,0,0,1|1,1,0]=4 935 B9R1.69 CC1=C(N)C=CC(Br)=N1 A15124 [0,1,0,0,0,1|2,0,0]=4 936 B9R1.69 CC1=C(N)C=CC(Cl)=N1 A15123 [0,1,0,0,0,1|2,0,0]=4 937 B9R1.69 CC1=C(N)C=CC(F)=C1 F68357 [0,1,0,0,0,1|2,0,0]=4 938 B9R1.69 CC1=C(N)C=CC(I)=C1 K46119 [0,1,0,0,0,1|2,0,0]=4 939 B9R1.69 CC1=C(N)C=CC(O)=C1 A39417 [0,1,0,0,0,1|1,1,0]=4 940 B9R1.69 CC1=C(O)C=CC(Br)=C1 B45950 [0,1,0,0,0,1|2,0,0]=4 941 B9R1.69 CC1=C(O)C=CC(Br)=N1 B42888 [0,1,0,0,0,1|2,0,0]=4 942 B9R1.69 CC1=C(O)C=CC(Cl)=N1 C42909 [0,1,0,0,0,1|2,0,0]=4 943 B9R1.69 CC1=C(O)C=CC(F)=C1 F45962 [0,1,0,0,0,1|2,0,0]=4 944 B9R1.69 CC1=C(O)C=CC(I)=C1 K45968 [0,1,0,0,0,1|2,0,0]=4 945 B9R1.69 CC1=C(O)C=CC(N)=C1 A46374 [0,1,0,0,0,1|2,0,0]=4 946 B9R1.69 CC1=C([Mg+])C=CC(Cl)=C1 C31775 [0,1,0,0,0,1|2,0,0]=4 947 B9R1.69 CC1=C([Mg+])C=CC(F)=C1 F31746 [0,1,0,0,0,1|2,0,0]=4 948 B9R1.69 CC1=CC(Br)=C(Br)C=C1 D45154 [0,1,0,0,0,1|2,0,0]=4 949 B9R1.69 CC1=CC(Br)=C(C)C=C1 D39511 [0,1,0,0,0,1|2,0,0]=4 950 B9R1.69 CC1=CC(Br)=C(C)C=N1 B46084 [0,1,0,0,0,1|2,0,0]=4 951 B9R1.69 CC1=CC(Br)=C(Cl)C=C1 B45156 [0,1,0,0,0,1|2,0,0]=4 952 B9R1.69 CC1=CC(Br)=C(Cl)C=N1 B17532 [0,1,0,0,0,1|2,0,0]=4 953 B9R1.69 CC1=CC(Br)=C(F)C=N1 B32009 [0,1,0,0,0,1|2,0,0]=4 954 B9R1.69 CC1=CC(Br)=C(I)C=C1 B45175 [0,1,0,0,0,1|2,0,0]=4 955 B9R1.69 CC1=CC(Br)=C(O)C=C1 B39403 [0,1,0,0,0,1|2,0,0]=4 956 B9R1.69 CC1=CC(Br)=C(O)C=N1 B42884 [0,1,0,0,0,1|2,0,0]=4 957 B9R1.69 CC1=CC(C)=C(Br)C=C1 D39510 [0,1,0,0,0,1|2,0,0]=4 958 B9R1.69 CC1=CC(C)=C(Br)C=N1 B46086 [0,1,0,0,0,1|2,0,0]=4 959 B9R1.69 CC1=CC(C)=C([Mg+])C=C1 D31735 [0,1,0,0,0,1|2,0,0]=4 960 B9R1.69 CC1=CC(Cl)=C(Br)C=C1 B67676 [0,1,0,0,0,1|2,0,0]=4 961 B9R1.69 CC1=CC(Cl)=C(Br)C=N1 B12057 [0,1,0,0,0,1|2,0,0]=4 962 B9R1.69 CC1=CC(Cl)=C(I)C=C1 C62467 [0,1,0,0,0,1|2,0,0]=4 963 B9R1.69 CC1=CC(Cl)=C(N)C=C1 C69100 [0,1,0,0,0,1|2,0,0]=4 964 B9R1.69 CC1=CC(Cl)=C(O)C=C1 C38476 [0,1,0,0,0,1|2,0,0]=4 965 B9R1.69 CC1=CC(F)=C(Br)C=C1 B39373 [0,1,0,0,0,1|2,0,0]=4 966 B9R1.69 CC1=CC(F)=C(C)C=C1 F49165 [0,1,0,0,0,1|2,0,0]=4 967 B9R1.69 CC1=CC(F)=C(Cl)C=C1 C45177 [0,1,0,0,0,1|2,0,0]=4 968 B9R1.69 CC1=CC(F)=C(F)C=C1 D45188 [0,1,0,0,0,1|2,0,0]=4 969 B9R1.69 CC1=CC(F)=C(I)C=C1 F45193 [0,1,0,0,0,1|2,0,0]=4 970 B9R1.69 CC1=CC(F)=C(O)C=C1 F45958 [0,1,0,0,0,1|2,0,0]=4 971 B9R1.69 CC1=CC(I)=C(Br)C=C1 B38445 [0,1,0,0,0,1|2,0,0]=4 972 B9R1.69 CC1=CC(I)=C(F)C=C1 F45191 [0,1,0,0,0,1|2,0,0]=4 973 B9R1.69 CC1=CC(I)=C(N)C=C1 K46116 [0,1,0,0,0,1|2,0,0]=4 974 B9R1.69 CC1=CC(I)=C(O)C=C1 K60967 [0,1,0,0,0,1|2,0,0]=4 975 B9R1.69 CC1=CC(N)=C(Br)C=C1 B39410 [0,1,0,0,0,1|2,0,0]=4 976 B9R1.69 CC1=CC(N)=C(Br)C=N1 A1741 [0,1,0,0,0,1|2,0,0]=4 977 B9R1.69 CC1=CC(N)=C(Cl)C=C1 C46092 [0,1,0,0,0,1|2,0,0]=4 978 B9R1.69 CC1=CC(N)=C(Cl)C=N1 C26973 [0,1,0,0,0,1|2,0,0]=4 979 B9R1.69 CC1=CC(N)=C(F)C=C1 A23738 [0,1,0,0,0,1|2,0,0]=4 980 B9R1.69 CC1=CC(N)=C(I)C=C1 K46117 [0,1,0,0,0,1|2,0,0]=4 981 B9R1.69 CC1=CC(N)=C(I)C=N1 K43023 [0,1,0,0,0,1|2,0,0]=4 982 B9R1.69 CC1=CC(N)=C(N)C=C1 D68596 [0,1,0,0,0,1|2,0,0]=4 983 B9R1.69 CC1=CC(O)=C(Br)C=C1 B36626 [0,1,0,0,0,1|1,1,0]=4 984 B9R1.69 CC1=CC(O)=C(Br)C=N1 B42886 [0,1,0,0,0,1|1,1,0]=4 985 B9R1.69 CC1=CC(O)=C(F)C=C1 F45959 [0,1,0,0,0,1|1,1,0]=4 986 B9R1.69 CC1=CC(O)=C(N)C=C1 A68595 [0,1,0,0,0,1|1,1,0]=4 987 B9R1.69 CC1=CC([Mg+])=C(C)C=C1 D31736 [0,1,0,0,0,1|2,0,0]=4 988 B9R1.69 CC1=CC=C(Br)C(Br)=N1 D42515 [0,1,0,0,0,1|2,0,0]=4 989 B9R1.69 CC1=CC=C(C)C(N)=N1 D43611 [0,1,0,0,0,1|2,0,0]=4 990 B9R1.69 CC1=CC=C(Cl)C(Cl)=N1 D42559 [0,1,0,0,0,1|2,0,0]=4 991 B9R1.69 CC1=CC=C(F)C(Br)=N1 B23352 [0,1,0,0,0,1|2,0,0]=4 992 B9R1.69 CC1=CC=C(F)C(Cl)=N1 C42573 [0,1,0,0,0,1|2,0,0]=4 993 B9R1.69 CC1=CC=C(N)C(Br)=N1 B37081 [0,1,0,0,0,1|2,0,0]=4 994 B9R1.69 CC1=CC=C(N)C(C)=N1 D43608 [0,1,0,0,0,1|2,0,0]=4 995 B9R1.69 CC1=CC=C(N)C(Cl)=N1 A42987 [0,1,0,0,0,1|2,0,0]=4 996 B9R1.69 CC1=CC=C(N)C(I)=N1 K43022 [0,1,0,0,0,1|2,0,0]=4 997 B9R1.69 CC1=CC=C(O)C(Br)=N1 B1020 [0,1,0,0,0,1|2,0,0]=4 998 B9R1.69 CC1=CC=C(O)C(F)=N1 F42928 [0,1,0,0,0,1|2,0,0]=4 999 B9R1.69 CC1=CC=C(O)C(I)=N1 H37772 [0,1,0,0,0,1|2,0,0]=4 1000 B9R1.69 CC1=CN=C(C)C=C1N D22447 [0,1,0,0,0,1|2,0,0]=4 1001 B9R1.69 CC1=CN=C(C)N=C1N D43337 [0,1,0,0,0,1|2,0,0]=4 1002 B9R1.69 CC1=NC(C)=C(Br)C=C1 B46082 [0,1,0,0,0,1|2,0,0]=4 1003 B9R1.69 CC1=NC(C)=C(Br)C=N1 B42971 [0,1,0,0,0,1|2,0,0]=4 1004 B9R1.69 CC1=NC(C)=C(N)C=N1 D43336 [0,1,0,0,0,1|2,0,0]=4 1005 B9R1.69 CC1=NC(C)=C(O)C=C1 D67987 [0,1,0,0,0,1|2,0,0]=4 1006 B9R1.69 CC1=NC(C)=C(O)C=N1 D43192 [0,1,0,0,0,1|2,0,0]=4 1007 B9R1.69 CC1=NC(Cl)=C(Br)C=C1 B42526 [0,1,0,0,0,1|2,0,0]=4 1008 B9R1.69 CC1=NC(Cl)=C(Br)C=N1 B25786 [0,1,0,0,0,1|2,0,0]=4 1009 B9R1.69 CC1=NC(F)=C(Br)C=C1 B42546 [0,1,0,0,0,1|2,0,0]=4 1010 B9R1.69 CC1=NC(F)=C(I)C=C1 F42594 [0,1,0,0,0,1|2,0,0]=4 1011 B9R1.69 CC1=NC(N)=C(Br)C=C1 B18303 [0,1,0,0,0,1|2,0,0]=4 1012 B9R1.69 CC1=NC(N)=C(Br)C=N1 B41065 [0,1,0,0,0,1|2,0,0]=4 1013 B9R1.69 CC1=NC(N)=C(Cl)C=N1 C41080 [0,1,0,0,0,1|2,0,0]=4 1014 B9R1.69 CC1=NC(N)=C(F)C=N1 F41083 [0,1,0,0,0,1|2,0,0]=4 1015 B9R1.69 CC1=NC(N)=C(I)C=C1 K61473 [0,1,0,0,0,1|2,0,0]=4 1016 B9R1.69 CC1=NC(N)=C(O)C=C1 A43201 [0,1,0,0,0,1|2,0,0]=4 1017 B9R1.69 CC1=NC(O)=C(Br)C=C1 B42882 [0,1,0,0,0,1|1,1,0]=4 1018 B9R1.69 CC1=NC(O)=C(Br)C=N1 B40917 [0,1,0,0,0,1|1,1,0]=4 1019 B9R1.69 CC1=NC(O)=C(F)C=N1 F40940 [0,1,0,0,0,1|1,1,0]=4 1020 B9R1.69 CC1=NC=C(Cl)C(=O)N1 C40935 [0,1,0,0,0,1|1,1,0]=4 1021 B9R1.69 CC1=NC=C(Cl)C(Cl)=N1 D40727 [0,1,0,0,0,1|2,0,0]=4 1022 B9R1.69 CC1=NC=C(F)C(Cl)=N1 C36910 [0,1,0,0,0,1|2,0,0]=4 1023 B9R1.69 CC1=NC=C(N)C(Cl)=N1 C41079 [0,1,0,0,0,1|2,0,0]=4 1024 B9R1.69 NC1=C(F)C=C(S)C=C1 A64015 [0,1,0,0,0,1|2,0,0]=4 1025 B9R1.15 BrCC1=C(Br)C=CC=N1 B32048 [0,1,0,0,0,1|2,0,0]=4 1026 B9R1.15 BrCC1=C(I)C=CC=C1 B37896 [0,1,0,0,0,1|2,0,0]=4 1027 B9R1.15 CC1=C(C#N)C=CC=N1 C10623 [0,1,0,0,0,1|2,0,0]=4 1028 B9R1.15 CC1=C(C#N)C=CN=C1 M14014 [0,1,0,0,0,1|2,0,0]=4 1029 B9R1.15 CC1=C(C#N)C=NC=C1 M14105 [0,1,0,0,0,1|2,0,0]=4 1030 B9R1.15 CC1=C(C=O)C=CC=N1 M1759 [0,1,0,0,0,1|1,1,0]=4 1031 B9R1.15 CC1=C(C=O)C=NC=C1 M1852 [0,1,0,0,0,1|1,1,0]=4 1032 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [0,1,0,0,0,1|2,0,0]=4 1033 B9R1.15 CC1=C(CBr)C=NC=C1 B37536 [0,1,0,0,0,1|2,0,0]=4 1034 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [0,1,0,0,0,1|2,0,0]=4 1035 B9R1.15 CC1=C(CCl)C=CN=C1 C13917 [0,1,0,0,0,1|2,0,0]=4 1036 B9R1.15 CC1=C(CCl)C=CN=C1 C46110 [0,1,0,0,0,1|2,0,0]=4 1037 B9R1.15 CC1=C(CCl)C=NC=C1 C14757 [0,1,0,0,0,1|2,0,0]=4 1038 B9R1.15 CC1=C(CCl)C=NC=C1 C46108 [0,1,0,0,0,1|2,0,0]=4 1039 B9R1.15 CC1=C(CN)C=CC=C1 M65907 [0,1,0,0,0,1|2,0,0]=4 1040 B9R1.15 CC1=C(CN)C=NC=C1 A11511 [0,1,0,0,0,1|2,0,0]=4 1041 B9R1.15 CC1=C(CN)N=NC=C1 M60279 [0,1,0,0,0,1|2,0,0]=4 1042 B9R1.15 CC1=C(CO)C=CN=C1 H1761 [0,1,0,0,0,1|1,1,0]=4 1043 B9R1.15 CC1=C(CO)C=CN=N1 M63840 [0,1,0,0,0,1|1,1,0]=4 1044 B9R1.15 CC1=C(CO)C=NC=C1 H11512 [0,1,0,0,0,1|1,1,0]=4 1045 B9R1.15 CC1=C(NN)C=CC=C1 T39424 [0,1,0,0,0,1|2,0,0]=4 1046 B9R1.15 CC1=CC=CN=C1C#N M29764 [0,1,0,0,0,1|2,0,0]=4 1047 B9R1.15 CC1=CC=CN=C1C=O M1872 [0,1,0,0,0,1|1,1,0]=4 1048 B9R1.15 CC1=CC=CN=C1CCl C14758 [0,1,0,0,0,1|2,0,0]=4 1049 B9R1.15 CC1=CC=CN=C1CCl C46105 [0,1,0,0,0,1|2,0,0]=4 1050 B9R1.15 CC1=CC=CN=C1CN M46460 [0,1,0,0,0,1|2,0,0]=4 1051 B9R1.15 CC1=CC=CN=C1CO H46388 [0,1,0,0,0,1|1,1,0]=4 1052 B9R1.15 CC1=NC=CN=C1C=O M14617 [0,1,0,0,0,1|1,1,0]=4 1053 B9R1.15 CC1=NC=CN=C1CCl C14615 [0,1,0,0,0,1|2,0,0]=4 1054 B9R1.15 CC1=NC=CN=C1CN A11549 [0,1,0,0,0,1|2,0,0]=4 1055 B9R1.15 CC1=NC=CN=C1CO H14616 [0,1,0,0,0,1|1,1,0]=4 1056 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [0,1,0,0,0,1|2,0,0]=4 1057 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [0,1,0,0,0,1|2,0,0]=4 1058 B9R1.15 CCC1=C(Br)C=CN=C1 B10961 [0,1,0,0,0,1|2,0,0]=4 1059 B9R1.15 CCC1=C(Br)C=CN=C1 B30062 [0,1,0,0,0,1|2,0,0]=4 1060 B9R1.15 CCC1=C(Br)C=NC=C1 B23431 [0,1,0,0,0,1|2,0,0]=4 1061 B9R1.15 CCC1=C(Br)C=NC=N1 B42964 [0,1,0,0,0,1|2,0,0]=4 1062 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [0,1,0,0,0,1|2,0,0]=4 1063 B9R1.15 CCC1=C(F)C=NC=N1 E0673 [0,1,0,0,0,1|2,0,0]=4 1064 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [0,1,0,0,0,1|2,0,0]=4 1065 B9R1.15 CCC1=NC=CN=C1C E43603 [0,1,0,0,0,1|2,0,0]=4 1066 B9R1.15 CCC1=NC=CN=C1Cl C38966 [0,1,0,0,0,1|2,0,0]=4 1067 B9R1.15 CCC1=NC=CN=C1N E43328 [0,1,0,0,0,1|2,0,0]=4 1068 B9R1.15 CCC1=NC=CNC1=O E43188 [0,1,0,0,0,1|1,1,0]=4 1069 B9R1.15 CNC1=C(Br)C=CC=C1 B46075 [0,1,0,0,0,1|2,0,0]=4 1070 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [0,1,0,0,0,1|2,0,0]=4 1071 B9R1.15 CNC1=C(C)C=CN=C1 D67183 [0,1,0,0,0,1|2,0,0]=4 1072 B9R1.15 CNC1=C(Cl)C=CC=C1 C46094 [0,1,0,0,0,1|2,0,0]=4 1073 B9R1.15 CNC1=C(Cl)C=CC=N1 C42995 [0,1,0,0,0,1|2,0,0]=4 1074 B9R1.15 CNC1=C(F)C=CC=C1 M39414 [0,1,0,0,0,1|2,0,0]=4 1075 B9R1.15 CNC1=C(N)C=CC=C1 M43618 [0,1,0,0,0,1|2,0,0]=4 1076 B9R1.15 CNC1=C(N)C=CC=C1 M68814 [0,1,0,0,0,1|2,0,0]=4 1077 B9R1.15 CNC1=C(N)C=CN=C1 M62812 [0,1,0,0,0,1|2,0,0]=4 1078 B9R1.15 CNC1=C(O)C=CC=C1 M64657 [0,1,0,0,0,1|1,1,0]=4 1079 B9R1.15 CNC1=CC=CN=C1Cl C42994 [0,1,0,0,0,1|2,0,0]=4 1080 B9R1.15 CNC1=CC=CN=C1N M62813 [0,1,0,0,0,1|2,0,0]=4 1081 B9R1.15 CNC1=NC=CC=C1N M43341 [0,1,0,0,0,1|2,0,0]=4 1082 B9R1.15 CNC1=NC=CN=C1N M63361 [0,1,0,0,0,1|2,0,0]=4 1083 B9R1.15 COC1=C(Br)C=CC=C1 B67901 [0,1,0,0,0,1|2,0,0]=4 1084 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [0,1,0,0,0,1|2,0,0]=4 1085 B9R1.15 COC1=C(Br)C=CN=C1 B61080 [0,1,0,0,0,1|2,0,0]=4 1086 B9R1.15 COC1=C(Br)C=NC=C1 B9421 [0,1,0,0,0,1|2,0,0]=4 1087 B9R1.15 COC1=C(Br)C=NC=N1 B40915 [0,1,0,0,0,1|2,0,0]=4 1088 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [0,1,0,0,0,1|2,0,0]=4 1089 B9R1.15 COC1=C(Cl)C=NC=C1 C42901 [0,1,0,0,0,1|2,0,0]=4 1090 B9R1.15 COC1=C(Cl)C=NC=N1 C37084 [0,1,0,0,0,1|2,0,0]=4 1091 B9R1.15 COC1=C(F)C=CC=N1 F42926 [0,1,0,0,0,1|2,0,0]=4 1092 B9R1.15 COC1=C(F)C=NC=N1 F61763 [0,1,0,0,0,1|2,0,0]=4 1093 B9R1.15 COC1=C(I)C=CC=C1 K68160 [0,1,0,0,0,1|2,0,0]=4 1094 B9R1.15 COC1=C(I)C=CC=N1 K42933 [0,1,0,0,0,1|2,0,0]=4 1095 B9R1.15 COC1=C(I)C=NC=C1 K42934 [0,1,0,0,0,1|2,0,0]=4 1096 B9R1.15 COC1=C(I)C=NC=N1 K40946 [0,1,0,0,0,1|2,0,0]=4 1097 B9R1.15 COC1=C(N)C=NC=C1 A43191 [0,1,0,0,0,1|2,0,0]=4 1098 B9R1.15 COC1=C(N)N=CC=C1 A69248 [0,1,0,0,0,1|2,0,0]=4 1099 B9R1.15 COC1=C([Mg+])C=CC=C1 M31742 [0,1,0,0,0,1|2,0,0]=4 1100 B9R1.15 COC1=CC=CN=C1Br B4536 [0,1,0,0,0,1|2,0,0]=4 1101 B9R1.15 COC1=CC=CN=C1Cl C24085 [0,1,0,0,0,1|2,0,0]=4 1102 B9R1.15 COC1=CC=CN=C1F F42924 [0,1,0,0,0,1|2,0,0]=4 1103 B9R1.15 COC1=CC=CN=C1I K62151 [0,1,0,0,0,1|2,0,0]=4 1104 B9R1.15 COC1=NC=CC=C1C M46378 [0,1,0,0,0,1|1,1,0]=4 1105 B9R1.15 COC1=NC=CC=C1N A12743 [0,1,0,0,0,1|2,0,0]=4 1106 B9R1.15 COC1=NC=CN=C1Br B40912 [0,1,0,0,0,1|2,0,0]=4 1107 B9R1.15 COC1=NC=CN=C1C M39278 [0,1,0,0,0,1|1,1,0]=4 1108 B9R1.15 COC1=NC=CN=C1Cl C1053 [0,1,0,0,0,1|2,0,0]=4 1109 B9R1.15 COC1=NC=CN=C1I I3006 [0,1,0,0,0,1|2,0,0]=4 1110 B9R1.15 COC1=NC=CN=C1N M32096 [0,1,0,0,0,1|2,0,0]=4 1111 B9R1.15 CSC1=C(F)N=CC=C1 F42849 [0,1,0,0,0,1|2,0,0]=4 1112 B9R1.15 CSC1=C([Mg+])C=CC=C1 M31770 [0,1,0,0,0,1|2,0,0]=4 1113 B9R1.15 CSC1=NC=CN=C1C M43263 [0,1,0,0,0,1|1,0,0]=3 1114 B9R1.15 ClCC1=C(Br)C=CC=N1 B42529 [0,1,0,0,0,1|2,0,0]=4 1115 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42563 [0,1,0,0,0,1|2,0,0]=4 1116 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42564 [0,1,0,0,0,1|2,0,0]=4 1117 B9R1.15 ClCC1=CC=CN=C1Cl C7688 [0,1,0,0,0,1|2,0,0]=4 1118 B9R1.15 ClCC1=NC=CN=C1Cl C12594 [0,1,0,0,0,1|2,0,0]=4 1119 B9R1.15 FC1=C(C[Mg+])C=CC=C1 F6778 [0,1,0,0,0,1|2,0,0]=4 1120 B9R1.15 FC1=CC=CN=C1CBr B19661 [0,1,0,0,0,1|2,0,0]=4 1121 B9R1.15 FC1=CC=CN=C1CBr B7783 [0,1,0,0,0,1|2,0,0]=4 1122 B9R1.15 FC1=CC=CN=C1CCl C13988 [0,1,0,0,0,1|2,0,0]=4 1123 B9R1.15 NC1=C(CO)C=CC=C1 A7795 [0,1,0,0,0,1|2,0,0]=4 1124 B9R1.15 NC1=C(CO)C=CC=N1 A12467 [0,1,0,0,0,1|2,0,0]=4 1125 B9R1.15 NC1=CC=CN=C1CO A24069 [0,1,0,0,0,1|2,0,0]=4 1126 B9R1.15 NCC1=C(Br)C=CC=C1 B36643 [0,1,0,0,0,1|2,0,0]=4 1127 B9R1.15 NCC1=C(Br)C=CN=C1 B63849 [0,1,0,0,0,1|2,0,0]=4 1128 B9R1.15 NCC1=C(Br)C=NC=C1 B36920 [0,1,0,0,0,1|2,0,0]=4 1129 B9R1.15 NCC1=C(Cl)C=CC=C1 C46097 [0,1,0,0,0,1|2,0,0]=4 1130 B9R1.15 NCC1=C(Cl)C=CC=C1 C46104 [0,1,0,0,0,1|2,0,0]=4 1131 B9R1.15 NCC1=C(Cl)C=CC=N1 A14307 [0,1,0,0,0,1|2,0,0]=4 1132 B9R1.15 NCC1=C(Cl)C=CC=N1 C29809 [0,1,0,0,0,1|2,0,0]=4 1133 B9R1.15 NCC1=C(F)C=CC=C1 F26320 [0,1,0,0,0,1|2,0,0]=4 1134 B9R1.15 NCC1=C(F)C=CC=N1 A12648 [0,1,0,0,0,1|2,0,0]=4 1135 B9R1.15 NCC1=C(F)C=CC=N1 A1712 [0,1,0,0,0,1|2,0,0]=4 1136 B9R1.15 NCC1=C(F)C=CC=N1 F61824 [0,1,0,0,0,1|2,0,0]=4 1137 B9R1.15 NCC1=C(F)C=NC=C1 F9408 [0,1,0,0,0,1|2,0,0]=4 1138 B9R1.15 NCC1=C(I)C=CC=C1 I36799 [0,1,0,0,0,1|2,0,0]=4 1139 B9R1.15 NCC1=C(O)C=CC=C1 A38718 [0,1,0,0,0,1|1,1,0]=4 1140 B9R1.15 NCC1=C(O)C=CC=C1 A46574 [0,1,0,0,0,1|1,1,0]=4 1141 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [0,1,0,0,0,1|1,1,0]=4 1142 B9R1.15 NCC1=C(O)C=NC=C1 A43200 [0,1,0,0,0,1|1,1,0]=4 1143 B9R1.15 NCC1=CC=CN=C1Cl A10464 [0,1,0,0,0,1|2,0,0]=4 1144 B9R1.15 NCC1=CC=CN=C1F F43528 [0,1,0,0,0,1|2,0,0]=4 1145 B9R1.15 NCC1=NC=CN=C1Cl C25893 [0,1,0,0,0,1|2,0,0]=4 1146 B9R1.15 NCC1=NC=CN=C1Cl C26687 [0,1,0,0,0,1|2,0,0]=4 1147 B9R1.15 OCC1=C(Br)C=CC=C1 B39402 [0,1,0,0,0,1|2,0,0]=4 1148 B9R1.15 OCC1=C(Br)C=CC=N1 B42889 [0,1,0,0,0,1|2,0,0]=4 1149 B9R1.15 OCC1=C(Br)C=NC=C1 B9966 [0,1,0,0,0,1|2,0,0]=4 1150 B9R1.15 OCC1=C(Cl)C=CC=C1 C68885 [0,1,0,0,0,1|2,0,0]=4 1151 B9R1.15 OCC1=C(Cl)C=CC=N1 C42910 [0,1,0,0,0,1|2,0,0]=4 1152 B9R1.15 OCC1=C(Cl)C=CN=C1 C42911 [0,1,0,0,0,1|2,0,0]=4 1153 B9R1.15 OCC1=C(Cl)C=CN=C1 C42915 [0,1,0,0,0,1|2,0,0]=4 1154 B9R1.15 OCC1=C(F)C=CC=C1 F39407 [0,1,0,0,0,1|2,0,0]=4 1155 B9R1.15 OCC1=C(F)C=CC=N1 F1706 [0,1,0,0,0,1|2,0,0]=4 1156 B9R1.15 OCC1=C(F)C=CN=C1 F30083 [0,1,0,0,0,1|2,0,0]=4 1157 B9R1.15 OCC1=C(F)C=NC=C1 F10404 [0,1,0,0,0,1|2,0,0]=4 1158 B9R1.15 OCC1=C(I)C=CC=C1 K45967 [0,1,0,0,0,1|2,0,0]=4 1159 B9R1.15 OCC1=C(O)C=CC=N1 H60848 [0,1,0,0,0,1|1,1,0]=4 1160 B9R1.15 OCC1=CC=CN=C1Br B69414 [0,1,0,0,0,1|2,0,0]=4 1161 B9R1.15 OCC1=CC=CN=C1Cl C0580 [0,1,0,0,0,1|2,0,0]=4 1162 B9R1.15 OCC1=CC=CN=C1F F42930 [0,1,0,0,0,1|2,0,0]=4 1163 B9R1.15 OCC1=NC=CN=C1Cl C1612 [0,1,0,0,0,1|2,0,0]=4 1164 B9R1.14 COC1=C(C=O)C=CS1 M29841 [0,2,0,0,0,0|0,2,0]=4 1165 B9R1.14 COC1=C(C=O)OC=C1 M6472 [0,2,0,0,0,0|0,1,1]=4 1166 B9R1.22 CC1=C(CCl)OC(=O)O1 C39175 [0,2,0,0,0,0|2,0,0]=4 1167 B9R1.22 CC1=C(CO)OC(=O)O1 H32111 [0,2,0,0,0,0|1,1,0]=4 1168 B9R1.27 CC1=NOC(C)=C1C=O D24190 [0,2,0,0,0,0|1,1,0]=4 1169 B9R1.27 CC1=NOC(C)=C1CCl C43298 [0,2,0,0,0,0|2,0,0]=4 1170 B9R1.27 CC1=NOC(C)=C1CN D41432 [0,2,0,0,0,0|2,0,0]=4 1171 B9R1.33 CCOC1=C(C)N=CO1 E43381 [0,2,0,0,0,0|2,0,0]=4 1172 B9R1.41 CC1=C(C(=O)Cl)C=NO1 M2623 [0,2,0,0,0,0|1,1,0]=4 1173 B9R1.41 CC1=C(C(=O)O)C=CN1 M39104 [0,2,0,0,0,0|1,1,0]=4 1174 B9R1.41 CC1=C(C(=O)O)C=CO1 M63194 [0,2,0,0,0,0|0,1,0]=3 1175 B9R1.41 CC1=C(C(=O)O)C=CS1 M36640 [0,2,0,0,0,0|0,2,0]=4 1176 B9R1.41 CC1=C(C(=O)O)C=NO1 M2622 [0,2,0,0,0,0|1,1,0]=4 1177 B9R1.41 CC1=C(C(=O)O)N=CO1 M3158 [0,2,0,0,0,0|1,1,0]=4 1178 B9R1.41 CC1=C(C(=O)O)OC=C1 M42945 [0,2,0,0,0,0|1,0,1]=4 1179 B9R1.41 CC1=C([N+](=O)[O-])C=NO1 M37214 [0,2,0,0,0,0|1,1,0]=4 1180 B9R1.41 O=C(O)C1=C(Br)C=CO1 B40689 [0,2,0,0,0,0|1,0,1]=4 1181 B9R1.37 CC1=C(C)C(=O)OC1=O D68903 [0,2,0,0,0,0|2,0,0]=4 1182 B9R1.37 O=C1OC(=O)C(Br)=C1Br D32378 [0,2,0,0,0,0|2,0,0]=4 1183 B7R1.3 CC1=NC=CN=C1 M61917 [0,0,1,1,0,0|2,0,0]=4 1184 B7R1.3 O=C1C=COC=C1 P40862 [0,0,1,1,0,0|0,1,1]=4 1185 B9R2.50 C1=CC2=C(C=C1)CC2 B68912 [0,0,0,1,0,1|2,0,0]=4 1186 B9R2.3 C1=CC2=C(C=CS2)S1 T4822 [0,1,0,1,0,0|0,1,1]=4