0 B6R1.2 BrC1=CC=CS1 B69329 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 BrC1=CC=NN1 B10788 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 BrC1=CC=NN1 B37723 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 BrC1=CN=CS1 B2349 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 BrC1=CNC=N1 B2477 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 BrC1=CNN=C1 B22272 [0,0,0,0,0,0|1,0,0]=1 6 B6R1.2 BrC1=COC=C1 B40068 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 BrC1=CON=C1 B39813 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 BrC1=CSC=C1 B39148 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 BrC1=CSC=N1 B2171 [0,0,0,0,0,0|4,0,0]=4 10 B6R1.2 BrC1=CSN=C1 B39812 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 BrC1=NC=NN1 B39761 [0,0,0,0,0,0|4,0,0]=4 12 B6R1.2 BrC1=NC=NS1 B38787 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 BrC1=NN=CS1 B11248 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 BrC1=NNC=N1 B11031 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 BrC1=NOC=C1 B37012 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 BrC1=NSC=C1 B39811 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 CC1=CC=CN1 M37933 [0,0,0,0,0,0|3,0,0]=3 18 B6R1.2 CC1=CC=CS1 M39179 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 CC1=CC=NO1 M24354 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.2 CC1=CN=CS1 M40166 [0,0,0,0,0,0|2,0,0]=2 21 B6R1.2 CC1=CNC=C1 M14657 [0,0,0,0,0,0|1,0,0]=1 22 B6R1.2 CC1=COC=N1 M13405 [0,0,0,0,0,0|3,0,0]=3 23 B6R1.2 CC1=CSC=N1 M24933 [0,0,0,0,0,0|3,0,0]=3 24 B6R1.2 CC1=NC=CS1 M40165 [0,0,0,0,0,0|4,0,0]=4 25 B6R1.2 CC1=NCCC1 M41239 [0,0,0,0,0,0|3,0,1]=4 26 B6R1.2 CC1=NN=CN1 M15832 [0,0,0,0,0,0|3,0,0]=3 27 B6R1.2 CC1=NN=CO1 M32022 [0,0,0,0,0,0|3,0,0]=3 28 B6R1.2 CC1=NNC=C1 M36663 [0,0,0,0,0,0|2,0,0]=2 29 B6R1.2 CC1=NOC=C1 M40157 [0,0,0,0,0,0|3,0,0]=3 30 B6R1.2 CC1=NON=C1 M62158 [0,0,0,0,0,0|2,0,0]=2 31 B6R1.2 CN1C=CC=N1 M12066 [0,0,0,0,0,0|4,0,0]=4 32 B6R1.2 CN1C=CN=C1 M68061 [0,0,0,0,0,0|2,0,0]=2 33 B6R1.2 CN1C=CN=N1 M38094 [0,0,0,0,0,0|3,0,0]=3 34 B6R1.2 CN1C=NC=N1 M64922 [0,0,0,0,0,0|3,0,0]=3 35 B6R1.2 CN1C=NN=C1 M37134 [0,0,0,0,0,0|1,0,1]=2 36 B6R1.2 C[C@@H]1CCNC1 M22540 [0,0,0,0,0,0|1,0,3]=4 37 B6R1.2 C[C@H]1CCNC1 M22012 [0,0,0,0,0,0|1,0,3]=4 38 B6R1.2 C[C@H]1CCNC1 M69520 [0,0,0,0,0,0|1,0,3]=4 39 B6R1.2 ClC1=CC=NN1 C10789 [0,0,0,0,0,0|3,0,0]=3 40 B6R1.2 ClC1=CC=NN1 C39819 [0,0,0,0,0,0|3,0,0]=3 41 B6R1.2 ClC1=CN=CN1 C38031 [0,0,0,0,0,0|3,0,0]=3 42 B6R1.2 ClC1=CNN=C1 C39818 [0,0,0,0,0,0|1,0,0]=1 43 B6R1.2 ClC1=CSC=C1 C40018 [0,0,0,0,0,0|3,0,0]=3 44 B6R1.2 ClC1=CSC=N1 C9773 [0,0,0,0,0,0|4,0,0]=4 45 B6R1.2 ClC1=NC=NS1 C39789 [0,0,0,0,0,0|4,0,0]=4 46 B6R1.2 ClC1=NNC=N1 C38764 [0,0,0,0,0,0|4,0,0]=4 47 B6R1.2 FC1=CC=NN1 F13459 [0,0,0,0,0,0|3,0,0]=3 48 B6R1.2 FC1=CNN=C1 F13736 [0,0,0,0,0,0|1,0,0]=1 49 B6R1.2 IC1=CC=CS1 K39149 [0,0,0,0,0,0|4,0,0]=4 50 B6R1.2 IC1=CC=NN1 K39821 [0,0,0,0,0,0|3,0,0]=3 51 B6R1.2 IC1=CN=CN1 I2351 [0,0,0,0,0,0|3,0,0]=3 52 B6R1.2 IC1=CNN=C1 I8923 [0,0,0,0,0,0|1,0,0]=1 53 B6R1.2 IC1=CON=C1 K25626 [0,0,0,0,0,0|2,0,0]=2 54 B6R1.2 IC1=CSC=C1 K40019 [0,0,0,0,0,0|3,0,0]=3 55 B6R1.2 IC1=NNC=C1 I9931 [0,0,0,0,0,0|3,0,0]=3 56 B6R1.2 NC1=CC=NN1 P61114 [0,0,0,0,0,0|3,0,0]=3 57 B6R1.2 NC1=CC=NO1 X67704 [0,0,0,0,0,0|3,0,0]=3 58 B6R1.2 NC1=CC=NS1 T39909 [0,0,0,0,0,0|3,0,0]=3 59 B6R1.2 NC1=CN=CN1 I37101 [0,0,0,0,0,0|3,0,0]=3 60 B6R1.2 NC1=CN=CS1 T39907 [0,0,0,0,0,0|3,0,0]=3 61 B6R1.2 NC1=CN=NS1 T39765 [0,0,0,0,0,0|2,0,1]=3 62 B6R1.2 NC1=CNC=N1 I37475 [0,0,0,0,0,0|3,0,0]=3 63 B6R1.2 NC1=CNN=C1 A12900 [0,0,0,0,0,0|1,0,0]=1 64 B6R1.2 NC1=CNN=C1 A39853 [0,0,0,0,0,0|1,0,0]=1 65 B6R1.2 NC1=COC=N1 X36633 [0,0,0,0,0,0|4,0,0]=4 66 B6R1.2 NC1=CON=C1 A37511 [0,0,0,0,0,0|2,0,0]=2 67 B6R1.2 NC1=CON=C1 K39833 [0,0,0,0,0,0|2,0,0]=2 68 B6R1.2 NC1=CSC=C1 A40167 [0,0,0,0,0,0|3,0,0]=3 69 B6R1.2 NC1=CSC=C1 T10330 [0,0,0,0,0,0|3,0,0]=3 70 B6R1.2 NC1=CSC=C1 T64858 [0,0,0,0,0,0|3,0,0]=3 71 B6R1.2 NC1=CSC=N1 T39908 [0,0,0,0,0,0|4,0,0]=4 72 B6R1.2 NC1=NC=NS1 T39794 [0,0,0,0,0,0|4,0,0]=4 73 B6R1.2 NC1=NC=NS1 T39799 [0,0,0,0,0,0|4,0,0]=4 74 B6R1.2 NC1=NC=NS1 T61256 [0,0,0,0,0,0|4,0,0]=4 75 B6R1.2 NC1=NN=CS1 T69243 [0,0,0,0,0,0|4,0,0]=4 76 B6R1.2 NC1=NNC=C1 A1108 [0,0,0,0,0,0|3,0,0]=3 77 B6R1.2 NC1=NOC=C1 I0613 [0,0,0,0,0,0|4,0,0]=4 78 B6R1.2 NN1C=CC=C1 A7731 [0,0,0,0,0,0|4,0,0]=4 79 B6R1.2 NN1C=CN=C1 I38788 [0,0,0,0,0,0|3,0,0]=3 80 B6R1.2 NN1C=CN=N1 T39768 [0,0,0,0,0,0|4,0,0]=4 81 B6R1.2 NN1C=CN=N1 T61667 [0,0,0,0,0,0|4,0,0]=4 82 B6R1.2 NN1C=NN=C1 T69198 [0,0,0,0,0,0|2,0,1]=3 83 B6R1.2 O=C1C=CCC1 C26583 [0,0,0,0,0,0|3,0,1]=4 84 B6R1.2 O=C1C=CCO1 F5673 [0,0,0,0,0,0|4,0,0]=4 85 B6R1.2 O=C1C=CNN1 P32282 [0,0,0,0,0,0|3,0,0]=3 86 B6R1.2 O=C1C=CSN1 T60536 [0,0,0,0,0,0|4,0,0]=4 87 B6R1.2 O=C1CC=NN1 P39834 [0,0,0,0,0,0|3,0,1]=4 88 B6R1.2 O=C1CCNC1 P0198 [0,0,0,0,0,0|2,0,2]=4 89 B6R1.2 O=C1CCNN1 P39917 [0,0,0,0,0,0|3,0,1]=4 90 B6R1.2 OC1=CNN=C1 P61602 [0,0,0,0,0,0|1,0,0]=1 91 B6R1.2 OC1=NNC=C1 P24482 [0,0,0,0,0,0|3,0,0]=3 92 B5R1.1 C1=CCNC1 D40328 [1,0,0,0,0,0|1,0,1]=3 93 B5R1.1 C1=CNN=N1 T32182 [1,0,0,0,0,0|1,0,0]=2 94 B5R1.1 C1=COC=N1 X1773 [1,0,0,0,0,0|2,0,0]=3 95 B5R1.1 C1=CSC=N1 T0971 [1,0,0,0,0,0|2,0,0]=3 96 B5R1.1 C1=CSN=C1 T39830 [1,0,0,0,0,0|1,0,0]=2 97 B5R1.1 C1=NC=NN1 T64905 [1,0,0,0,0,0|1,0,0]=2 98 B7R1.1 BrCC1=CCCC1 B7551 [0,1,0,0,0,0|2,0,1]=4 99 B7R1.1 BrCC1=CSC=C1 B60823 [0,1,0,0,0,0|2,0,0]=3 100 B7R1.1 C#CC1=CNN=C1 E14061 [0,1,0,0,0,0|0,0,1]=2 101 B7R1.1 C#CC1=CSC=C1 E42372 [0,1,0,0,0,0|2,0,1]=4 102 B7R1.1 CCC1=NN=CO1 E37555 [0,1,0,0,0,0|3,0,0]=4 103 B7R1.1 CCN1C=CN=N1 E40219 [0,1,0,0,0,0|3,0,0]=4 104 B7R1.1 CCN1C=NC=N1 E40218 [0,1,0,0,0,0|3,0,0]=4 105 B7R1.1 CNC1=NC=NS1 M32356 [0,1,0,0,0,0|3,0,0]=4 106 B7R1.1 COC1=CC=CS1 M41123 [0,1,0,0,0,0|3,0,0]=4 107 B7R1.1 COC1=CNN=C1 M20056 [0,1,0,0,0,0|0,0,0]=1 108 B7R1.1 COC1=CSC=C1 M41124 [0,1,0,0,0,0|2,0,0]=3 109 B7R1.1 ClCC1=CN=CS1 C32421 [0,1,0,0,0,0|2,0,0]=3 110 B7R1.1 ClCC1=CNC=N1 C2088 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.1 ClCC1=CSC=N1 C2334 [0,1,0,0,0,0|3,0,0]=4 112 B7R1.1 N#CC1=CC=NO1 X67351 [0,1,0,0,0,0|2,0,1]=4 113 B7R1.1 N#CC1=CN=CS1 T39999 [0,1,0,0,0,0|2,0,1]=4 114 B7R1.1 N#CC1=CNC=C1 P40700 [0,1,0,0,0,0|1,0,1]=3 115 B7R1.1 N#CC1=CNC=N1 K24325 [0,1,0,0,0,0|2,0,1]=4 116 B7R1.1 N#CC1=CNN=C1 C7900 [0,1,0,0,0,0|0,0,1]=2 117 B7R1.1 N#CC1=CNN=C1 P40318 [0,1,0,0,0,0|0,0,1]=2 118 B7R1.1 N#CC1=CSC=C1 C12829 [0,1,0,0,0,0|2,0,1]=4 119 B7R1.1 N#CC1=CSN=C1 T40000 [0,1,0,0,0,0|1,0,1]=3 120 B7R1.1 N#CC1=NNC=C1 P9717 [0,1,0,0,0,0|2,0,1]=4 121 B7R1.1 NCC1=CC=CN1 P41359 [0,1,0,0,0,0|3,0,0]=4 122 B7R1.1 NCC1=CC=CS1 A12813 [0,1,0,0,0,0|3,0,0]=4 123 B7R1.1 NCC1=CC=NO1 K40323 [0,1,0,0,0,0|2,0,0]=3 124 B7R1.1 NCC1=CN=CN1 A69377 [0,1,0,0,0,0|2,0,0]=3 125 B7R1.1 NCC1=CN=CO1 X11178 [0,1,0,0,0,0|2,0,0]=3 126 B7R1.1 NCC1=CN=CO1 X17340 [0,1,0,0,0,0|2,0,0]=3 127 B7R1.1 NCC1=CN=CS1 T11225 [0,1,0,0,0,0|2,0,0]=3 128 B7R1.1 NCC1=CN=CS1 T37607 [0,1,0,0,0,0|2,0,0]=3 129 B7R1.1 NCC1=CN=CS1 T40190 [0,1,0,0,0,0|2,0,0]=3 130 B7R1.1 NCC1=CNC=C1 P26218 [0,1,0,0,0,0|1,0,0]=2 131 B7R1.1 NCC1=CNC=N1 K40332 [0,1,0,0,0,0|2,0,0]=3 132 B7R1.1 NCC1=CNN=C1 A10475 [0,1,0,0,0,0|0,0,0]=1 133 B7R1.1 NCC1=CNN=C1 P17334 [0,1,0,0,0,0|0,0,0]=1 134 B7R1.1 NCC1=CNN=C1 P20267 [0,1,0,0,0,0|0,0,0]=1 135 B7R1.1 NCC1=COC=N1 A40322 [0,1,0,0,0,0|3,0,0]=4 136 B7R1.1 NCC1=COC=N1 O7924 [0,1,0,0,0,0|3,0,0]=4 137 B7R1.1 NCC1=COC=N1 X11296 [0,1,0,0,0,0|3,0,0]=4 138 B7R1.1 NCC1=CON=C1 A14706 [0,1,0,0,0,0|1,0,0]=2 139 B7R1.1 NCC1=CON=C1 I29534 [0,1,0,0,0,0|1,0,0]=2 140 B7R1.1 NCC1=CSC=C1 T41357 [0,1,0,0,0,0|2,0,0]=3 141 B7R1.1 NCC1=CSC=N1 T13924 [0,1,0,0,0,0|3,0,0]=4 142 B7R1.1 NCC1=CSC=N1 T29521 [0,1,0,0,0,0|3,0,0]=4 143 B7R1.1 NCC1=NNC=C1 P9792 [0,1,0,0,0,0|2,0,0]=3 144 B7R1.1 NCC1=NOC=C1 I29536 [0,1,0,0,0,0|3,0,0]=4 145 B7R1.1 NCC1=NOC=C1 I7943 [0,1,0,0,0,0|3,0,0]=4 146 B7R1.1 NCC1=NSC=C1 I15218 [0,1,0,0,0,0|3,0,0]=4 147 B7R1.1 O=CC1=CC=NO1 K40060 [0,1,0,0,0,0|2,0,1]=4 148 B7R1.1 O=CC1=CN=CO1 X11928 [0,1,0,0,0,0|2,0,1]=4 149 B7R1.1 O=CC1=CN=CS1 T2161 [0,1,0,0,0,0|2,0,1]=4 150 B7R1.1 O=CC1=CNC=C1 P25022 [0,1,0,0,0,0|1,0,1]=3 151 B7R1.1 O=CC1=CNN=C1 P0675 [0,1,0,0,0,0|0,0,1]=2 152 B7R1.1 O=CC1=CNN=C1 P7759 [0,1,0,0,0,0|0,0,1]=2 153 B7R1.1 O=CC1=COC=C1 F65465 [0,1,0,0,0,0|2,0,1]=4 154 B7R1.1 O=CC1=CSC=C1 T12697 [0,1,0,0,0,0|2,0,1]=4 155 B7R1.1 O=CC1=NNC=C1 P23454 [0,1,0,0,0,0|2,0,1]=4 156 B7R1.1 OCC1=CC=CS1 T12815 [0,1,0,0,0,0|3,0,0]=4 157 B7R1.1 OCC1=CC=NO1 K40159 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.1 OCC1=CN=CN1 I14077 [0,1,0,0,0,0|2,0,0]=3 159 B7R1.1 OCC1=CN=CO1 X14033 [0,1,0,0,0,0|2,0,0]=3 160 B7R1.1 OCC1=CN=CS1 T2166 [0,1,0,0,0,0|2,0,0]=3 161 B7R1.1 OCC1=CNC=N1 H2067 [0,1,0,0,0,0|2,0,0]=3 162 B7R1.1 OCC1=CNN=C1 H1729 [0,1,0,0,0,0|0,0,0]=1 163 B7R1.1 OCC1=COC=C1 F41115 [0,1,0,0,0,0|2,0,0]=3 164 B7R1.1 OCC1=COC=N1 O7923 [0,1,0,0,0,0|3,0,0]=4 165 B7R1.1 OCC1=CON=C1 H14705 [0,1,0,0,0,0|1,0,0]=2 166 B7R1.1 OCC1=CSC=C1 T12827 [0,1,0,0,0,0|2,0,0]=3 167 B7R1.1 OCC1=CSC=N1 T2165 [0,1,0,0,0,0|3,0,0]=4 168 B7R1.1 OCC1=NC=NN1 T39912 [0,1,0,0,0,0|3,0,0]=4 169 B7R1.1 OCC1=NNC=C1 H7696 [0,1,0,0,0,0|2,0,0]=3 170 B7R1.1 OCC1=NOC=C1 I11321 [0,1,0,0,0,0|3,0,0]=4 171 B7R1.1 OCN1C=NC=N1 T39855 [0,1,0,0,0,0|3,0,0]=4 172 B7R1.2 BrC1=CC(Br)=NN1 D61879 [0,1,0,0,0,0|3,0,0]=4 173 B7R1.2 BrC1=CN=C(Br)S1 D2697 [0,1,0,0,0,0|3,0,0]=4 174 B7R1.2 CC1=CC(=O)CC1 M22783 [0,1,0,0,0,0|2,0,1]=4 175 B7R1.2 CC1=CC(=O)CO1 M41117 [0,1,0,0,0,0|3,0,0]=4 176 B7R1.2 CC1=CC(=O)NN1 M12010 [0,1,0,0,0,0|2,0,0]=3 177 B7R1.2 CC1=CC(=O)NO1 M68379 [0,1,0,0,0,0|2,0,0]=3 178 B7R1.2 CC1=CC(Br)=CS1 B40867 [0,1,0,0,0,0|3,0,0]=4 179 B7R1.2 CC1=CC(Br)=NN1 B9765 [0,1,0,0,0,0|2,0,0]=3 180 B7R1.2 CC1=CC(Br)=NO1 B2183 [0,1,0,0,0,0|2,0,0]=3 181 B7R1.2 CC1=CC(C)=NO1 D39182 [0,1,0,0,0,0|2,0,0]=3 182 B7R1.2 CC1=CC(Cl)=NN1 C7548 [0,1,0,0,0,0|2,0,0]=3 183 B7R1.2 CC1=CC(I)=NN1 I26594 [0,1,0,0,0,0|2,0,0]=3 184 B7R1.2 CC1=CC(N)=NN1 A11614 [0,1,0,0,0,0|2,0,0]=3 185 B7R1.2 CC1=CC(N)=NO1 A12655 [0,1,0,0,0,0|2,0,0]=3 186 B7R1.2 CC1=CC=C(Br)O1 B41015 [0,1,0,0,0,0|3,0,0]=4 187 B7R1.2 CC1=CC=C(Br)S1 B40865 [0,1,0,0,0,0|3,0,0]=4 188 B7R1.2 CC1=CC=C(C)S1 D43320 [0,1,0,0,0,0|3,0,0]=4 189 B7R1.2 CC1=CC=C(I)S1 K40868 [0,1,0,0,0,0|3,0,0]=4 190 B7R1.2 CC1=CN(C)N=C1 D69464 [0,1,0,0,0,0|0,0,0]=1 191 B7R1.2 CC1=CN(C)N=N1 D40221 [0,1,0,0,0,0|1,0,0]=2 192 B7R1.2 CC1=CN=C(Br)S1 B40104 [0,1,0,0,0,0|2,0,0]=3 193 B7R1.2 CC1=CN=C(C)S1 D38993 [0,1,0,0,0,0|2,0,0]=3 194 B7R1.2 CC1=CN=C(Cl)S1 C1978 [0,1,0,0,0,0|2,0,0]=3 195 B7R1.2 CC1=CN=C(N)S1 A69715 [0,1,0,0,0,0|2,0,0]=3 196 B7R1.2 CC1=CN=C(N)S1 M69725 [0,1,0,0,0,0|2,0,0]=3 197 B7R1.2 CC1=CNC(Br)=N1 B40115 [0,1,0,0,0,0|2,0,0]=3 198 B7R1.2 CC1=CNC(C)=N1 D41187 [0,1,0,0,0,0|2,0,0]=3 199 B7R1.2 CC1=CNC(I)=N1 K40123 [0,1,0,0,0,0|2,0,0]=3 200 B7R1.2 CC1=COC(N)=N1 A2053 [0,1,0,0,0,0|3,0,0]=4 201 B7R1.2 CC1=CSC(Br)=N1 B2087 [0,1,0,0,0,0|3,0,0]=4 202 B7R1.2 CC1=CSC(C)=N1 D41174 [0,1,0,0,0,0|3,0,0]=4 203 B7R1.2 CC1=CSC(N)=C1 A0597 [0,1,0,0,0,0|2,0,0]=3 204 B7R1.2 CC1=NC(Br)=CN1 B2121 [0,1,0,0,0,0|3,0,0]=4 205 B7R1.2 CC1=NC(N)=NO1 M39856 [0,1,0,0,0,0|3,0,0]=4 206 B7R1.2 CC1=NC=C(Br)S1 B5222 [0,1,0,0,0,0|3,0,0]=4 207 B7R1.2 CC1=NC=C(I)N1 K40124 [0,1,0,0,0,0|3,0,0]=4 208 B7R1.2 CC1=NC=C(N)S1 M40189 [0,1,0,0,0,0|3,0,0]=4 209 B7R1.2 CC1=NN(C)C=C1 D4115 [0,1,0,0,0,0|2,0,0]=3 210 B7R1.2 CC1=NN=C(Br)O1 B62443 [0,1,0,0,0,0|3,0,0]=4 211 B7R1.2 CC1=NN=C(Br)S1 B39816 [0,1,0,0,0,0|3,0,0]=4 212 B7R1.2 CC1=NN=C(C)N1 D0366 [0,1,0,0,0,0|3,0,0]=4 213 B7R1.2 CC1=NN=C(C)O1 D13454 [0,1,0,0,0,0|3,0,0]=4 214 B7R1.2 CC1=NN=C(N)O1 M5216 [0,1,0,0,0,0|3,0,0]=4 215 B7R1.2 CC1=NN=C(N)S1 A39857 [0,1,0,0,0,0|3,0,0]=4 216 B7R1.2 CC1=NNC(=O)C1 M68628 [0,1,0,0,0,0|2,0,1]=4 217 B7R1.2 CC1=NNC(=O)O1 M39837 [0,1,0,0,0,0|3,0,0]=4 218 B7R1.2 CC1=NNC(=S)O1 M62067 [0,1,0,0,0,0|3,0,0]=4 219 B7R1.2 CC1=NNC(=S)S1 M68580 [0,1,0,0,0,0|3,0,0]=4 220 B7R1.2 CC1=NNC(Br)=C1 B40114 [0,1,0,0,0,0|2,0,0]=3 221 B7R1.2 CC1=NNC(I)=C1 K40122 [0,1,0,0,0,0|2,0,0]=3 222 B7R1.2 CC1=NNC(N)=C1 M40220 [0,1,0,0,0,0|2,0,0]=3 223 B7R1.2 CC1=NNC(O)=C1 M0907 [0,1,0,0,0,0|2,0,0]=3 224 B7R1.2 CC1=NOC(N)=C1 A37936 [0,1,0,0,0,0|3,0,0]=4 225 B7R1.2 CC1=NSC(I)=C1 I6114 [0,1,0,0,0,0|3,0,0]=4 226 B7R1.2 CC1=NSC(N)=C1 M65783 [0,1,0,0,0,0|3,0,0]=4 227 B7R1.2 CN1C=C(Br)C=N1 B7572 [0,1,0,0,0,0|1,0,0]=2 228 B7R1.2 CN1C=C(Br)N=N1 B18663 [0,1,0,0,0,0|2,0,0]=3 229 B7R1.2 CN1C=C(Cl)C=N1 C40119 [0,1,0,0,0,0|1,0,0]=2 230 B7R1.2 CN1C=C(I)C=N1 I23483 [0,1,0,0,0,0|1,0,0]=2 231 B7R1.2 CN1C=C(N)C=N1 A10471 [0,1,0,0,0,0|1,0,0]=2 232 B7R1.2 CN1C=C(N)C=N1 M24961 [0,1,0,0,0,0|1,0,0]=2 233 B7R1.2 CN1C=C(N)C=N1 M40360 [0,1,0,0,0,0|1,0,0]=2 234 B7R1.2 CN1C=C(O)C=N1 M38839 [0,1,0,0,0,0|1,0,0]=2 235 B7R1.2 CN1C=CC(=O)N1 M40182 [0,1,0,0,0,0|3,0,0]=4 236 B7R1.2 CN1C=CC(Br)=N1 B5930 [0,1,0,0,0,0|3,0,0]=4 237 B7R1.2 CN1C=CC(Cl)=N1 C64917 [0,1,0,0,0,0|3,0,0]=4 238 B7R1.2 CN1C=CC(I)=N1 M13226 [0,1,0,0,0,0|3,0,0]=4 239 B7R1.2 CN1C=CC(N)=N1 A3263 [0,1,0,0,0,0|3,0,0]=4 240 B7R1.2 CN1C=C[N+](C)=C1 D23670 [0,1,0,0,0,0|2,0,0]=3 241 B7R1.2 CN1C=NC(Br)=C1 B5167 [0,1,0,0,0,0|2,0,0]=3 242 B7R1.2 CN1C=NC(Br)=N1 B36665 [0,1,0,0,0,0|3,0,0]=4 243 B7R1.2 CN1C=NC(I)=C1 I2146 [0,1,0,0,0,0|2,0,0]=3 244 B7R1.2 CN1C=NC(N)=C1 M38763 [0,1,0,0,0,0|2,0,0]=3 245 B7R1.2 CN1C=NC(N)=N1 M38833 [0,1,0,0,0,0|3,0,0]=4 246 B7R1.2 CN1N=CC(Br)=N1 B39841 [0,1,0,0,0,0|2,0,0]=3 247 B7R1.2 CN1N=NC(N)=N1 A39778 [0,1,0,0,0,0|3,0,0]=4 248 B7R1.2 C[N+]1=CN(N)C=N1 A39801 [0,1,0,0,0,0|2,0,1]=4 249 B7R1.2 C[N+]1=CN(N)C=N1 A39940 [0,1,0,0,0,0|2,0,1]=4 250 B7R1.2 ClC1=CN=C(Br)S1 B15574 [0,1,0,0,0,0|3,0,0]=4 251 B7R1.2 ClC1=CN=C(Cl)S1 D15573 [0,1,0,0,0,0|3,0,0]=4 252 B7R1.2 ClC1=NC=C(Br)S1 B1397 [0,1,0,0,0,0|3,0,0]=4 253 B7R1.2 FC1=CN=C(Br)S1 B15575 [0,1,0,0,0,0|3,0,0]=4 254 B7R1.2 NC1=CC(=O)NN1 A0899 [0,1,0,0,0,0|3,0,0]=4 255 B7R1.2 NC1=CC(N)=NN1 P39867 [0,1,0,0,0,0|3,0,0]=4 256 B7R1.2 NC1=CSC(Cl)=C1 A14220 [0,1,0,0,0,0|3,0,0]=4 257 B7R1.2 NC1=CSC(Cl)=C1 A7362 [0,1,0,0,0,0|3,0,0]=4 258 B7R1.2 NC1=NC=C(Br)S1 B22934 [0,1,0,0,0,0|3,0,0]=4 259 B7R1.2 NC1=NC=C(Br)S1 D2473 [0,1,0,0,0,0|3,0,0]=4 260 B7R1.2 NC1=NC=C(Cl)S1 C12061 [0,1,0,0,0,0|3,0,0]=4 261 B7R1.2 NC1=NC=C(F)S1 F24712 [0,1,0,0,0,0|3,0,0]=4 262 B7R1.2 NC1=NC=C(F)S1 F8188 [0,1,0,0,0,0|3,0,0]=4 263 B7R1.2 NC1=NNC(Br)=C1 B9821 [0,1,0,0,0,0|3,0,0]=4 264 B7R1.2 NC1=NNC(Cl)=C1 C10741 [0,1,0,0,0,0|3,0,0]=4 265 B7R1.2 NC1=NNC(F)=C1 F11040 [0,1,0,0,0,0|3,0,0]=4 266 B7R1.2 NC1=NNC(O)=C1 A11039 [0,1,0,0,0,0|3,0,0]=4 267 B7R1.2 OC1=NSC(Cl)=C1 C37755 [0,1,0,0,0,0|3,0,0]=4 268 B7R1.4 BrC1=C(Br)NN=N1 D37887 [0,1,0,0,0,0|2,0,0]=3 269 B7R1.4 BrC1=C(Br)SC=C1 D39969 [0,1,0,0,0,0|3,0,0]=4 270 B7R1.4 BrC1=C(I)SC=C1 B39972 [0,1,0,0,0,0|3,0,0]=4 271 B7R1.4 BrC1=CSC=C1Br D39147 [0,1,0,0,0,0|3,0,0]=4 272 B7R1.4 BrC1=CSC=C1I B39973 [0,1,0,0,0,0|3,0,0]=4 273 B7R1.4 BrC1=NNC=C1I B22763 [0,1,0,0,0,0|1,0,0]=2 274 B7R1.4 BrC1=NNN=C1Br D67597 [0,1,0,0,0,0|2,0,0]=3 275 B7R1.4 CC1=C(Br)C=NN1 B12011 [0,1,0,0,0,0|1,0,0]=2 276 B7R1.4 CC1=C(Br)C=NO1 B40106 [0,1,0,0,0,0|2,0,0]=3 277 B7R1.4 CC1=C(Br)N=CS1 B61015 [0,1,0,0,0,0|2,0,0]=3 278 B7R1.4 CC1=C(Br)NC=N1 B40116 [0,1,0,0,0,0|2,0,0]=3 279 B7R1.4 CC1=C(Br)SC=C1 B12699 [0,1,0,0,0,0|2,0,0]=3 280 B7R1.4 CC1=C(Br)SC=N1 B5072 [0,1,0,0,0,0|3,0,0]=4 281 B7R1.4 CC1=C(C)NC=N1 D41358 [0,1,0,0,0,0|2,0,0]=3 282 B7R1.4 CC1=C(C)NC=N1 D43581 [0,1,0,0,0,0|2,0,0]=3 283 B7R1.4 CC1=C(C)SC=N1 D41175 [0,1,0,0,0,0|2,0,0]=3 284 B7R1.4 CC1=C(Cl)SC=C1 C39173 [0,1,0,0,0,0|2,0,0]=3 285 B7R1.4 CC1=C(I)NC=N1 K40125 [0,1,0,0,0,0|2,0,0]=3 286 B7R1.4 CC1=C(N)NN=C1 M13606 [0,1,0,0,0,0|0,0,0]=1 287 B7R1.4 CC1=C(N)ON=C1 M40180 [0,1,0,0,0,0|1,0,0]=2 288 B7R1.4 CC1=CC=NN1C D3267 [0,1,0,0,0,0|2,0,0]=3 289 B7R1.4 CC1=CNC=C1C D12050 [0,1,0,0,0,0|1,0,0]=2 290 B7R1.4 CC1=CNN=C1Br B10968 [0,1,0,0,0,0|0,0,0]=1 291 B7R1.4 CC1=CNN=C1C D22811 [0,1,0,0,0,0|0,0,0]=1 292 B7R1.4 CC1=CNN=C1C D60965 [0,1,0,0,0,0|0,0,0]=1 293 B7R1.4 CC1=CSC=C1Br B40866 [0,1,0,0,0,0|2,0,0]=3 294 B7R1.4 CC1=NNC=C1I K40121 [0,1,0,0,0,0|1,0,0]=2 295 B7R1.4 CC1=NOC=C1N M38991 [0,1,0,0,0,0|2,0,0]=3 296 B7R1.4 CC1=NON=C1N M61679 [0,1,0,0,0,0|2,0,0]=3 297 B7R1.4 CN1C=CN=C1Br B9674 [0,1,0,0,0,0|2,0,0]=3 298 B7R1.4 CN1C=CN=C1Cl C3018 [0,1,0,0,0,0|2,0,0]=3 299 B7R1.4 CN1C=CN=C1I I2903 [0,1,0,0,0,0|2,0,0]=3 300 B7R1.4 CN1C=CN=C1N M40330 [0,1,0,0,0,0|2,0,0]=3 301 B7R1.4 CN1C=CN=C1N M67646 [0,1,0,0,0,0|2,0,0]=3 302 B7R1.4 CN1C=NC=C1Br B2463 [0,1,0,0,0,0|2,0,0]=3 303 B7R1.4 CN1C=NC=C1Cl C40118 [0,1,0,0,0,0|2,0,0]=3 304 B7R1.4 CN1C=NC=C1I K2147 [0,1,0,0,0,0|2,0,0]=3 305 B7R1.4 CN1C=NC=C1N M38381 [0,1,0,0,0,0|2,0,0]=3 306 B7R1.4 CN1C=NN=C1Br B21699 [0,1,0,0,0,0|1,0,1]=3 307 B7R1.4 CN1CCN=C1N M40301 [0,1,0,0,0,0|2,0,1]=4 308 B7R1.4 CN1CCNC1=O M40241 [0,1,0,0,0,0|2,0,1]=4 309 B7R1.4 CN1N=CC=C1I M9757 [0,1,0,0,0,0|3,0,0]=4 310 B7R1.4 CN1N=CC=C1N M12745 [0,1,0,0,0,0|3,0,0]=4 311 B7R1.4 CN1N=CC=C1O M23117 [0,1,0,0,0,0|3,0,0]=4 312 B7R1.4 CN1N=CN=C1Br B21698 [0,1,0,0,0,0|3,0,0]=4 313 B7R1.4 CN1N=NN=C1N M39777 [0,1,0,0,0,0|2,0,1]=4 314 B7R1.4 CN1NC=CC1=O M40184 [0,1,0,0,0,0|3,0,0]=4 315 B7R1.4 C[C@H]1CCNC1=O M41257 [0,1,0,0,0,0|1,0,2]=4 316 B7R1.4 ClC1=C(Br)C=CS1 B37895 [0,1,0,0,0,0|3,0,0]=4 317 B7R1.4 ClC1=C(Br)SC=C1 B39970 [0,1,0,0,0,0|3,0,0]=4 318 B7R1.4 ClC1=C(Cl)NC=N1 D62394 [0,1,0,0,0,0|3,0,0]=4 319 B7R1.4 ClC1=C(I)SC=C1 C60404 [0,1,0,0,0,0|3,0,0]=4 320 B7R1.4 ClC1=NSN=C1Cl D37869 [0,1,0,0,0,0|3,0,0]=4 321 B7R1.4 FC1=NNC=C1Br B29620 [0,1,0,0,0,0|1,0,0]=2 322 B7R1.4 IC1=C(I)NC=N1 D2856 [0,1,0,0,0,0|3,0,0]=4 323 B7R1.4 NC1=CNN=C1Br B39840 [0,1,0,0,0,0|1,0,0]=2 324 B7R1.4 NC1=CNN=C1Cl C39842 [0,1,0,0,0,0|1,0,0]=2 325 B7R1.4 NC1=CNN=C1Cl C39843 [0,1,0,0,0,0|1,0,0]=2 326 B7R1.4 NC1=CNN=C1N P10349 [0,1,0,0,0,0|1,0,0]=2 327 B7R1.4 NC1=CNN=C1N P20650 [0,1,0,0,0,0|1,0,0]=2 328 B7R1.4 NC1=CSC=C1Br B30109 [0,1,0,0,0,0|3,0,0]=4 329 B7R1.4 NC1=CSC=C1N D40188 [0,1,0,0,0,0|3,0,0]=4 330 B7R1.4 NC1=CSC=C1N T40358 [0,1,0,0,0,0|3,0,0]=4 331 B7R1.4 NC1=NNC=C1Br B8862 [0,1,0,0,0,0|1,0,0]=2 332 B7R1.4 O=C1CCC=C1Br B3409 [0,1,0,0,0,0|3,0,0]=4 333 B7R1.4 O=C1CCC=C1O H41119 [0,1,0,0,0,0|3,0,0]=4 334 B5R0.1 C=C(C)CON M40345 [0,0,1,0,0,0|1,0,1]=3 335 B5R0.1 C=C(C)OCC E5573 [0,0,1,0,0,0|3,0,0]=4 336 B5R0.1 CC(C)\C=N\O I2624 [0,0,1,0,0,0|1,0,2]=4 337 B5R0.1 C\C(N)=C\C#N A60547 [0,0,1,0,0,0|2,0,1]=4 338 B5R0.3 C=C[C@H](C)ON B40346 [0,0,1,0,0,0|2,0,1]=4 339 B5R1.2 CC1CNC1 M1321 [0,0,0,0,1,0|0,0,3]=4 340 B5R1.2 C[C@H]1CCN1 M29512 [0,0,0,0,1,0|1,0,2]=4 341 B5R1.2 O=C1CNC1 A1318 [0,0,0,0,1,0|1,0,2]=4 342 B7R1.3 BrC1=CC=NC=C1 B2747 [0,0,0,0,0,1|2,0,0]=3 343 B7R1.3 BrC1=CC=NC=C1 B65041 [0,0,0,0,0,1|2,0,0]=3 344 B7R1.3 BrC1=CN=CC=C1 B2746 [0,0,0,0,0,1|2,0,0]=3 345 B7R1.3 BrC1=CN=CN=C1 B2363 [0,0,0,0,0,1|1,0,1]=3 346 B7R1.3 BrC1=CN=NN=C1 B39805 [0,0,0,0,0,1|1,0,1]=3 347 B7R1.3 BrC1=NC=CN=C1 B40020 [0,0,0,0,0,1|2,0,0]=3 348 B7R1.3 BrC1=NC=NC=C1 B62457 [0,0,0,0,0,1|2,0,0]=3 349 B7R1.3 BrC1=NN=CC=C1 B26087 [0,0,0,0,0,1|3,0,0]=4 350 B7R1.3 CC1=CC=CN=N1 M0216 [0,0,0,0,0,1|2,0,0]=3 351 B7R1.3 CC1=CCCNC1 M12102 [0,0,0,0,0,1|1,0,1]=3 352 B7R1.3 CC1=CCNCC1 M26826 [0,0,0,0,0,1|1,0,1]=3 353 B7R1.3 CC1=CN=CN=C1 M41018 [0,0,0,0,0,1|0,0,1]=2 354 B7R1.3 CC1=CN=NC=C1 M3532 [0,0,0,0,0,1|0,0,1]=2 355 B7R1.3 CC1=NC=CC=N1 M68916 [0,0,0,0,0,1|3,0,0]=4 356 B7R1.3 CC1=NC=CN=C1 M61917 [0,0,0,0,0,1|1,0,0]=2 357 B7R1.3 CC1=NC=CN=N1 M36785 [0,0,0,0,0,1|2,0,0]=3 358 B7R1.3 CC1=NC=NC=C1 M7491 [0,0,0,0,0,1|1,0,0]=2 359 B7R1.3 C[N+]1=CC=CC=C1 M38728 [0,0,0,0,0,1|3,0,0]=4 360 B7R1.3 ClC1=CC=NC=C1 C39170 [0,0,0,0,0,1|2,0,0]=3 361 B7R1.3 ClC1=CN=CC=C1 C68367 [0,0,0,0,0,1|2,0,0]=3 362 B7R1.3 ClC1=CN=CN=C1 C40022 [0,0,0,0,0,1|1,0,1]=3 363 B7R1.3 ClC1=CN=NC=C1 C37590 [0,0,0,0,0,1|1,0,1]=3 364 B7R1.3 ClC1=NC=CN=C1 C5165 [0,0,0,0,0,1|2,0,0]=3 365 B7R1.3 ClC1=NC=NC=C1 C0425 [0,0,0,0,0,1|2,0,0]=3 366 B7R1.3 ClC1=NN=CC=C1 C7487 [0,0,0,0,0,1|3,0,0]=4 367 B7R1.3 FC1=CC=NC=C1 F2970 [0,0,0,0,0,1|2,0,0]=3 368 B7R1.3 FC1=CN=CC=C1 F1892 [0,0,0,0,0,1|2,0,0]=3 369 B7R1.3 FC1=NC=CC=C1 F4862 [0,0,0,0,0,1|3,0,0]=4 370 B7R1.3 FC1=NC=CN=C1 F40023 [0,0,0,0,0,1|2,0,0]=3 371 B7R1.3 IC1=CC=CC=C1 I38419 [0,0,0,0,0,1|3,0,0]=4 372 B7R1.3 IC1=CC=NC=C1 I3870 [0,0,0,0,0,1|2,0,0]=3 373 B7R1.3 IC1=CN=CC=C1 I16635 [0,0,0,0,0,1|2,0,0]=3 374 B7R1.3 IC1=CN=CN=C1 K22993 [0,0,0,0,0,1|1,0,1]=3 375 B7R1.3 IC1=NC=CC=C1 K67594 [0,0,0,0,0,1|3,0,0]=4 376 B7R1.3 IC1=NC=CN=C1 I2669 [0,0,0,0,0,1|2,0,0]=3 377 B7R1.3 NC1=CC=CN=N1 A6039 [0,0,0,0,0,1|3,0,0]=4 378 B7R1.3 NC1=CN=CN=C1 A5265 [0,0,0,0,0,1|1,0,1]=3 379 B7R1.3 NC1=CN=NC=C1 A3533 [0,0,0,0,0,1|1,0,1]=3 380 B7R1.3 NC1=CN=NC=C1 A7237 [0,0,0,0,0,1|1,0,1]=3 381 B7R1.3 NC1=NC=CC=C1 A23973 [0,0,0,0,0,1|3,0,0]=4 382 B7R1.3 NC1=NC=CN=C1 A15535 [0,0,0,0,0,1|2,0,0]=3 383 B7R1.3 NC1=NC=CN=N1 T67661 [0,0,0,0,0,1|3,0,0]=4 384 B7R1.3 NC1=NC=NC=C1 A12258 [0,0,0,0,0,1|2,0,0]=3 385 B7R1.3 O=C1C=CC=NN1 P5932 [0,0,0,0,0,1|3,0,0]=4 386 B7R1.3 O=C1C=CN=CN1 P0246 [0,0,0,0,0,1|2,0,0]=3 387 B7R1.3 O=C1C=COC=C1 P40862 [0,0,0,0,0,1|3,0,0]=4 388 B7R1.3 O=C1C=NC=CN1 H68630 [0,0,0,0,0,1|2,0,0]=3 389 B7R1.3 OC1=CC=NC=C1 H10331 [0,0,0,0,0,1|2,0,0]=3 390 B7R1.3 OC1=CN=CN=C1 H14432 [0,0,0,0,0,1|1,0,1]=3 391 B7R1.3 OC1=CN=NC=C1 H22270 [0,0,0,0,0,1|1,0,1]=3 392 B7R1.3 OC1=CN=NC=C1 P40299 [0,0,0,0,0,1|1,0,1]=3 393 B7R1.3 OC1=NC=CC=C1 P61113 [0,0,0,0,0,1|3,0,0]=4 394 B7R1.3 OC1=NC=NC=C1 P32223 [0,0,0,0,0,1|2,0,0]=3 395 B7R1.3 S=C1C=CN=CN1 P40081 [0,0,0,0,0,1|2,0,0]=3 396 B7R1.3 [Mg+]C1=CC=CC=C1 P31728 [0,0,0,0,0,1|3,0,0]=4 397 B7R1.3 [Mg+]C1=CN=CC=C1 P8350 [0,0,0,0,0,1|2,0,0]=3 398 B7R1.3 [Mg+]C1=NC=CC=C1 P8351 [0,0,0,0,0,1|3,0,0]=4 399 B4R0.1 CC(=N)NN A38897 [1,0,1,0,0,0|1,0,0]=3 400 B4R0.1 CC(=O)CN A38843 [1,0,1,0,0,0|1,0,1]=4 401 B4R0.1 CC(=O)NN A64932 [1,0,1,0,0,0|1,0,1]=4 402 B4R0.1 CC(C)=CBr B2881 [1,0,1,0,0,0|1,0,1]=4 403 B4R0.1 CC(N)=NO H37897 [1,0,1,0,0,0|2,0,0]=4 404 B4R0.2 C=CCCN B21913 [1,0,1,0,0,0|1,0,1]=4 405 B4R0.2 C=CCON A39923 [1,0,1,0,0,0|1,0,1]=4 406 B6R0.2 CC(=O)C=C(C)N A41256 [0,1,1,0,0,0|2,0,0]=4 407 B8R1.2 BrCC1=CC=NC=C1 B36897 [0,1,0,0,0,1|1,0,0]=3 408 B8R1.2 BrCC1=CN=CC=C1 B23879 [0,1,0,0,0,1|1,0,0]=3 409 B8R1.2 BrCC1=CN=CN=C1 B36879 [0,1,0,0,0,1|0,0,1]=3 410 B8R1.2 BrCC1=NC=CC=C1 B42841 [0,1,0,0,0,1|2,0,0]=4 411 B8R1.2 BrCC1=NC=CN=C1 B36766 [0,1,0,0,0,1|1,0,0]=3 412 B8R1.2 BrCC1=NC=NC=C1 B32305 [0,1,0,0,0,1|1,0,0]=3 413 B8R1.2 BrCC1=NN=CC=C1 B36818 [0,1,0,0,0,1|2,0,0]=4 414 B8R1.2 C#CC1=CC=CN=C1 E12479 [0,1,0,0,0,1|1,0,1]=4 415 B8R1.2 C#CC1=CC=NC=C1 E10312 [0,1,0,0,0,1|1,0,1]=4 416 B8R1.2 C#CC1=CC=NC=C1 E23238 [0,1,0,0,0,1|1,0,1]=4 417 B8R1.2 C#CC1=CN=CN=C1 E14435 [0,1,0,0,0,1|0,0,2]=4 418 B8R1.2 C#CC1=NC=CN=C1 E14588 [0,1,0,0,0,1|1,0,1]=4 419 B8R1.2 CCC1=NC=CN=C1 E43180 [0,1,0,0,0,1|1,0,0]=3 420 B8R1.2 CNC1=CC=CN=C1 M38086 [0,1,0,0,0,1|1,0,0]=3 421 B8R1.2 CNC1=CC=NC=C1 M68620 [0,1,0,0,0,1|1,0,0]=3 422 B8R1.2 CNC1=CN=CN=C1 M29839 [0,1,0,0,0,1|0,0,1]=3 423 B8R1.2 CNC1=CN=NC=C1 M38382 [0,1,0,0,0,1|0,0,1]=3 424 B8R1.2 CNC1=NC=CN=C1 M41140 [0,1,0,0,0,1|1,0,0]=3 425 B8R1.2 COC1=CC=NC=C1 M9391 [0,1,0,0,0,1|1,0,0]=3 426 B8R1.2 COC1=CN=CC=C1 M67978 [0,1,0,0,0,1|1,0,0]=3 427 B8R1.2 COC1=CN=NC=C1 M41023 [0,1,0,0,0,1|0,0,1]=3 428 B8R1.2 COC1=NC=CC=C1 M39277 [0,1,0,0,0,1|2,0,0]=4 429 B8R1.2 COC1=NC=CN=C1 M2768 [0,1,0,0,0,1|1,0,0]=3 430 B8R1.2 COC1=NN=CC=C1 M41021 [0,1,0,0,0,1|2,0,0]=4 431 B8R1.2 CSC1=NN=CC=N1 M5642 [0,1,0,0,0,1|2,0,0]=4 432 B8R1.2 ClCC1=CC=NC=C1 C68845 [0,1,0,0,0,1|1,0,0]=3 433 B8R1.2 ClCC1=CN=CN=C1 C10228 [0,1,0,0,0,1|0,0,1]=3 434 B8R1.2 ClCC1=NC=CC=C1 C67870 [0,1,0,0,0,1|2,0,0]=4 435 B8R1.2 ClCC1=NC=CN=C1 C0149 [0,1,0,0,0,1|1,0,0]=3 436 B8R1.2 ClCC1=NC=NC=C1 C40878 [0,1,0,0,0,1|1,0,0]=3 437 B8R1.2 ClCC1=NN=CC=C1 C0156 [0,1,0,0,0,1|2,0,0]=4 438 B8R1.2 N#CC1=CN=CN=C1 P0144 [0,1,0,0,0,1|0,0,2]=4 439 B8R1.2 N#CC1=CN=NC=C1 C10224 [0,1,0,0,0,1|0,0,2]=4 440 B8R1.2 N#CC1=NC=CN=C1 C68117 [0,1,0,0,0,1|1,0,1]=4 441 B8R1.2 N#CC1=NC=NC=C1 C12244 [0,1,0,0,0,1|1,0,1]=4 442 B8R1.2 NCC1=CC=CN=C1 A69257 [0,1,0,0,0,1|1,0,0]=3 443 B8R1.2 NCC1=CC=CN=N1 A0031 [0,1,0,0,0,1|2,0,0]=4 444 B8R1.2 NCC1=CC=CN=N1 P29569 [0,1,0,0,0,1|2,0,0]=4 445 B8R1.2 NCC1=CC=NC=C1 P67743 [0,1,0,0,0,1|1,0,0]=3 446 B8R1.2 NCC1=CN=CN=C1 P0028 [0,1,0,0,0,1|0,0,1]=3 447 B8R1.2 NCC1=CN=CN=C1 P29548 [0,1,0,0,0,1|0,0,1]=3 448 B8R1.2 NCC1=CN=NC=C1 A0027 [0,1,0,0,0,1|0,0,1]=3 449 B8R1.2 NCC1=CN=NC=C1 P41350 [0,1,0,0,0,1|0,0,1]=3 450 B8R1.2 NCC1=NC=CN=C1 P0029 [0,1,0,0,0,1|1,0,0]=3 451 B8R1.2 NCC1=NC=CN=C1 P4303 [0,1,0,0,0,1|1,0,0]=3 452 B8R1.2 NCC1=NC=NC=C1 A0032 [0,1,0,0,0,1|1,0,0]=3 453 B8R1.2 NCC1=NC=NC=C1 A10198 [0,1,0,0,0,1|1,0,0]=3 454 B8R1.2 NCC1=NC=NC=C1 P23754 [0,1,0,0,0,1|1,0,0]=3 455 B8R1.2 NNC1=CC=CN=C1 H0043 [0,1,0,0,0,1|2,0,0]=4 456 B8R1.2 NNC1=CC=CN=C1 H41349 [0,1,0,0,0,1|2,0,0]=4 457 B8R1.2 NNC1=CC=NC=C1 H0042 [0,1,0,0,0,1|2,0,0]=4 458 B8R1.2 NNC1=NC=CN=C1 H0220 [0,1,0,0,0,1|2,0,0]=4 459 B8R1.2 O=CC1=CC=NC=C1 P42598 [0,1,0,0,0,1|1,0,1]=4 460 B8R1.2 O=CC1=CN=CC=C1 P13753 [0,1,0,0,0,1|1,0,1]=4 461 B8R1.2 O=CC1=CN=CN=C1 F2817 [0,1,0,0,0,1|0,0,2]=4 462 B8R1.2 O=CC1=CN=NC=C1 P7445 [0,1,0,0,0,1|0,0,2]=4 463 B8R1.2 O=CC1=NC=CN=C1 P0148 [0,1,0,0,0,1|1,0,1]=4 464 B8R1.2 O=CC1=NC=NC=C1 P40755 [0,1,0,0,0,1|1,0,1]=4 465 B8R1.2 OCC1=CC=NC=C1 P43429 [0,1,0,0,0,1|1,0,0]=3 466 B8R1.2 OCC1=CC=NC=C1 P67894 [0,1,0,0,0,1|1,0,0]=3 467 B8R1.2 OCC1=CN=CC=C1 P15946 [0,1,0,0,0,1|1,0,0]=3 468 B8R1.2 OCC1=CN=CN=C1 P0145 [0,1,0,0,0,1|0,0,1]=3 469 B8R1.2 OCC1=NC=CC=C1 P69303 [0,1,0,0,0,1|2,0,0]=4 470 B8R1.2 OCC1=NC=CN=C1 P0147 [0,1,0,0,0,1|1,0,0]=3 471 B8R1.2 OCC1=NC=NC=C1 P0160 [0,1,0,0,0,1|1,0,0]=3 472 B8R1.2 OCC1=NN=CC=C1 P0155 [0,1,0,0,0,1|2,0,0]=4 473 B8R1.3 BrC1=CN=C(Br)C=C1 D4497 [0,1,0,0,0,1|2,0,0]=4 474 B8R1.3 BrC1=CN=C(Br)C=N1 D3577 [0,1,0,0,0,1|2,0,0]=4 475 B8R1.3 BrC1=CN=C(Br)N=C1 D9536 [0,1,0,0,0,1|1,0,1]=4 476 B8R1.3 BrC1=CN=C(I)C=C1 B1586 [0,1,0,0,0,1|2,0,0]=4 477 B8R1.3 BrC1=CN=C(I)C=N1 B3582 [0,1,0,0,0,1|2,0,0]=4 478 B8R1.3 BrC1=CN=C(I)N=C1 B3076 [0,1,0,0,0,1|1,0,1]=4 479 B8R1.3 BrC1=NC=C(I)C=C1 B12390 [0,1,0,0,0,1|2,0,0]=4 480 B8R1.3 BrC1=NC=C(I)C=N1 B39107 [0,1,0,0,0,1|1,0,1]=4 481 B8R1.3 CC1=CC=C(C)N=N1 D43182 [0,1,0,0,0,1|2,0,0]=4 482 B8R1.3 CC1=CC=C(I)C=C1 K68149 [0,1,0,0,0,1|2,0,0]=4 483 B8R1.3 CC1=CC=C(N)N=N1 A0340 [0,1,0,0,0,1|2,0,0]=4 484 B8R1.3 CC1=CC=C([Mg+])C=C1 M31731 [0,1,0,0,0,1|2,0,0]=4 485 B8R1.3 CC1=CN=C(Br)C=C1 B4672 [0,1,0,0,0,1|1,0,0]=3 486 B8R1.3 CC1=CN=C(Br)C=N1 B14614 [0,1,0,0,0,1|1,0,0]=3 487 B8R1.3 CC1=CN=C(Br)N=C1 B67690 [0,1,0,0,0,1|0,0,1]=3 488 B8R1.3 CC1=CN=C(Cl)C=C1 C21968 [0,1,0,0,0,1|1,0,0]=3 489 B8R1.3 CC1=CN=C(Cl)C=N1 C40876 [0,1,0,0,0,1|1,0,0]=3 490 B8R1.3 CC1=CN=C(Cl)N=C1 C4929 [0,1,0,0,0,1|0,0,1]=3 491 B8R1.3 CC1=CN=C(F)C=C1 F22553 [0,1,0,0,0,1|1,0,0]=3 492 B8R1.3 CC1=CN=C(N)C=C1 M20542 [0,1,0,0,0,1|1,0,0]=3 493 B8R1.3 CC1=CN=C(N)C=N1 M14592 [0,1,0,0,0,1|1,0,0]=3 494 B8R1.3 CC1=CN=C(N)N=C1 A0080 [0,1,0,0,0,1|0,0,1]=3 495 B8R1.3 CC1=CN=C(N)N=C1 M38708 [0,1,0,0,0,1|0,0,1]=3 496 B8R1.3 CC1=CN=C(O)C=C1 M63706 [0,1,0,0,0,1|1,0,0]=3 497 B8R1.3 CC1=CNC(=O)C=C1 M68372 [0,1,0,0,0,1|1,0,0]=3 498 B8R1.3 CC1=CNC(=O)C=N1 M68091 [0,1,0,0,0,1|1,0,0]=3 499 B8R1.3 CC1=NC=C(Br)C=C1 B5402 [0,1,0,0,0,1|2,0,0]=4 500 B8R1.3 CC1=NC=C(Br)C=N1 B0659 [0,1,0,0,0,1|1,0,1]=4 501 B8R1.3 CC1=NC=C(Cl)C=C1 C42845 [0,1,0,0,0,1|2,0,0]=4 502 B8R1.3 CC1=NC=C(Cl)C=N1 C40879 [0,1,0,0,0,1|1,0,1]=4 503 B8R1.3 CC1=NC=C(F)C=C1 F1117 [0,1,0,0,0,1|2,0,0]=4 504 B8R1.3 CC1=NC=C(F)C=N1 F40883 [0,1,0,0,0,1|1,0,1]=4 505 B8R1.3 CC1=NC=C(I)C=C1 I36966 [0,1,0,0,0,1|2,0,0]=4 506 B8R1.3 CC1=NC=C(N)C=C1 A1121 [0,1,0,0,0,1|2,0,0]=4 507 B8R1.3 CC1=NC=C(N)C=N1 A10293 [0,1,0,0,0,1|1,0,1]=4 508 B8R1.3 CC1=NC=C(O)C=C1 H4553 [0,1,0,0,0,1|2,0,0]=4 509 B8R1.3 CC1=NC=C(O)C=N1 M23235 [0,1,0,0,0,1|1,0,1]=4 510 B8R1.3 CC1=NN=C(Br)C=C1 B10633 [0,1,0,0,0,1|2,0,0]=4 511 B8R1.3 CC1=NN=C(Cl)C=C1 C3219 [0,1,0,0,0,1|2,0,0]=4 512 B8R1.3 CC1=NN=C(I)C=C1 I10435 [0,1,0,0,0,1|2,0,0]=4 513 B8R1.3 CC1=NNC(=O)C=C1 M0242 [0,1,0,0,0,1|2,0,0]=4 514 B8R1.3 CC1=NNC(=O)C=C1 M25029 [0,1,0,0,0,1|2,0,0]=4 515 B8R1.3 CC1=NNC(=O)C=C1 M41309 [0,1,0,0,0,1|2,0,0]=4 516 B8R1.3 ClC1=CN=C(Br)C=C1 B4976 [0,1,0,0,0,1|2,0,0]=4 517 B8R1.3 ClC1=CN=C(Br)C=N1 B3581 [0,1,0,0,0,1|2,0,0]=4 518 B8R1.3 ClC1=CN=C(Br)N=C1 B17946 [0,1,0,0,0,1|1,0,1]=4 519 B8R1.3 ClC1=CN=C(Cl)C=C1 D4510 [0,1,0,0,0,1|2,0,0]=4 520 B8R1.3 ClC1=CN=C(Cl)C=N1 D3587 [0,1,0,0,0,1|2,0,0]=4 521 B8R1.3 ClC1=CN=C(Cl)N=C1 D3914 [0,1,0,0,0,1|1,0,1]=4 522 B8R1.3 ClC1=CN=C(I)C=C1 I4551 [0,1,0,0,0,1|2,0,0]=4 523 B8R1.3 ClC1=CN=C(I)C=N1 C39982 [0,1,0,0,0,1|2,0,0]=4 524 B8R1.3 ClC1=CN=C(I)N=C1 C4724 [0,1,0,0,0,1|1,0,1]=4 525 B8R1.3 ClC1=NC=C(Br)C=C1 B3973 [0,1,0,0,0,1|2,0,0]=4 526 B8R1.3 ClC1=NC=C(Br)C=N1 B2217 [0,1,0,0,0,1|1,0,1]=4 527 B8R1.3 ClC1=NC=C(I)C=C1 C24918 [0,1,0,0,0,1|2,0,0]=4 528 B8R1.3 ClC1=NC=C(I)C=N1 C6980 [0,1,0,0,0,1|1,0,1]=4 529 B8R1.3 FC1=CN=C(Br)C=C1 B40635 [0,1,0,0,0,1|2,0,0]=4 530 B8R1.3 FC1=CN=C(Br)C=N1 B39978 [0,1,0,0,0,1|2,0,0]=4 531 B8R1.3 FC1=CN=C(Br)N=C1 B4878 [0,1,0,0,0,1|1,0,1]=4 532 B8R1.3 FC1=CN=C(Cl)C=C1 C40641 [0,1,0,0,0,1|2,0,0]=4 533 B8R1.3 FC1=CN=C(Cl)N=C1 C2722 [0,1,0,0,0,1|1,0,1]=4 534 B8R1.3 FC1=CN=C(F)C=C1 D40649 [0,1,0,0,0,1|2,0,0]=4 535 B8R1.3 FC1=CN=C(I)C=C1 F38230 [0,1,0,0,0,1|2,0,0]=4 536 B8R1.3 FC1=NC=C(Br)C=C1 B4730 [0,1,0,0,0,1|2,0,0]=4 537 B8R1.3 FC1=NC=C(Br)C=N1 B2219 [0,1,0,0,0,1|1,0,1]=4 538 B8R1.3 FC1=NC=C(Cl)C=C1 C40644 [0,1,0,0,0,1|2,0,0]=4 539 B8R1.3 FC1=NC=C(I)C=C1 F40650 [0,1,0,0,0,1|2,0,0]=4 540 B8R1.3 FC1=NC=C(I)C=N1 F39986 [0,1,0,0,0,1|1,0,1]=4 541 B8R1.3 NC1=CN=C(Br)C=C1 A4783 [0,1,0,0,0,1|2,0,0]=4 542 B8R1.3 NC1=CN=C(Br)C=N1 A2854 [0,1,0,0,0,1|2,0,0]=4 543 B8R1.3 NC1=CN=C(Br)N=C1 A12920 [0,1,0,0,0,1|1,0,1]=4 544 B8R1.3 NC1=CN=C(Cl)C=C1 C39174 [0,1,0,0,0,1|2,0,0]=4 545 B8R1.3 NC1=CN=C(Cl)C=N1 A0684 [0,1,0,0,0,1|2,0,0]=4 546 B8R1.3 NC1=CN=C(Cl)N=C1 A3768 [0,1,0,0,0,1|1,0,1]=4 547 B8R1.3 NC1=CN=C(F)C=C1 A12653 [0,1,0,0,0,1|2,0,0]=4 548 B8R1.3 NC1=CN=C(I)C=C1 A40889 [0,1,0,0,0,1|2,0,0]=4 549 B8R1.3 NC1=CN=C(I)C=N1 A40087 [0,1,0,0,0,1|2,0,0]=4 550 B8R1.3 NC1=CN=C(N)C=N1 P40199 [0,1,0,0,0,1|2,0,0]=4 551 B8R1.3 NC1=CN=C(N)C=N1 P40324 [0,1,0,0,0,1|2,0,0]=4 552 B8R1.3 NC1=NC=C(Br)C=C1 A5382 [0,1,0,0,0,1|2,0,0]=4 553 B8R1.3 NC1=NC=C(Br)C=N1 A0339 [0,1,0,0,0,1|1,0,1]=4 554 B8R1.3 NC1=NC=C(Cl)C=N1 A9537 [0,1,0,0,0,1|1,0,1]=4 555 B8R1.3 NC1=NC=C(F)C=C1 A3607 [0,1,0,0,0,1|2,0,0]=4 556 B8R1.3 NC1=NC=C(F)C=N1 F40086 [0,1,0,0,0,1|1,0,1]=4 557 B8R1.3 NC1=NC=C(I)C=C1 K4516 [0,1,0,0,0,1|2,0,0]=4 558 B8R1.3 NC1=NC=C(I)C=N1 A40089 [0,1,0,0,0,1|1,0,1]=4 559 B8R1.3 NC1=NC=C(O)C=N1 A4017 [0,1,0,0,0,1|1,0,1]=4 560 B8R1.3 O=C1C=CC(Cl)=CN1 C68182 [0,1,0,0,0,1|2,0,0]=4 561 B8R1.3 O=C1C=CC(I)=CN1 K40860 [0,1,0,0,0,1|2,0,0]=4 562 B8R1.3 O=C1C=CC(O)=CN1 H67757 [0,1,0,0,0,1|2,0,0]=4 563 B8R1.3 O=C1N=CC(Cl)=CN1 C69555 [0,1,0,0,0,1|1,0,0]=3 564 B8R1.3 O=C1N=CC(F)=CN1 F68054 [0,1,0,0,0,1|1,0,0]=3 565 B8R1.3 O=C1N=CC(I)=CN1 K40045 [0,1,0,0,0,1|1,0,0]=3 566 B8R1.3 OC1=CN=C(Br)C=C1 B0344 [0,1,0,0,0,1|2,0,0]=4 567 B8R1.3 OC1=CN=C(Br)C=N1 B14598 [0,1,0,0,0,1|2,0,0]=4 568 B8R1.3 OC1=CN=C(Br)N=C1 B7907 [0,1,0,0,0,1|1,0,1]=4 569 B8R1.3 OC1=CN=C(Cl)C=C1 C4788 [0,1,0,0,0,1|2,0,0]=4 570 B8R1.3 OC1=CN=C(Cl)C=N1 C38694 [0,1,0,0,0,1|2,0,0]=4 571 B8R1.3 OC1=CN=C(Cl)N=C1 C0498 [0,1,0,0,0,1|1,0,1]=4 572 B8R1.3 OC1=CN=C(F)C=C1 F5147 [0,1,0,0,0,1|2,0,0]=4 573 B8R1.3 OC1=NC=C(Br)C=C1 B39171 [0,1,0,0,0,1|2,0,0]=4 574 B8R1.3 OC1=NC=C(Br)C=C1 B39172 [0,1,0,0,0,1|2,0,0]=4 575 B8R1.3 OC1=NC=C(Br)C=N1 B2618 [0,1,0,0,0,1|1,0,1]=4 576 B8R1.3 OC1=NC=C(F)C=C1 F36674 [0,1,0,0,0,1|2,0,0]=4 577 B8R1.3 OC1=NC=C(I)C=C1 K40858 [0,1,0,0,0,1|2,0,0]=4 578 B8R1.3 SC1=NC=C(Br)C=C1 B40822 [0,1,0,0,0,1|2,0,0]=4 579 B8R1.4 BrC1=CC(Br)=NC=C1 D2494 [0,1,0,0,0,1|2,0,0]=4 580 B8R1.4 BrC1=CC(Br)=NC=N1 D7414 [0,1,0,0,0,1|2,0,0]=4 581 B8R1.4 BrC1=CC(I)=CN=C1 B22533 [0,1,0,0,0,1|2,0,0]=4 582 B8R1.4 BrC1=CC=NC(Br)=N1 D12195 [0,1,0,0,0,1|2,0,0]=4 583 B8R1.4 BrC1=CN=CC(Br)=C1 D2466 [0,1,0,0,0,1|2,0,0]=4 584 B8R1.4 BrC1=CN=CC(Br)=N1 D39976 [0,1,0,0,0,1|2,0,0]=4 585 B8R1.4 BrC1=NC=CC(I)=C1 B15186 [0,1,0,0,0,1|2,0,0]=4 586 B8R1.4 CC1=CC(=O)NC=N1 M41027 [0,1,0,0,0,1|1,0,0]=3 587 B8R1.4 CC1=CC(=O)NN=C1 M5789 [0,1,0,0,0,1|0,0,0]=2 588 B8R1.4 CC1=CC(=S)NC=N1 M41054 [0,1,0,0,0,1|1,0,0]=3 589 B8R1.4 CC1=CC(Br)=CN=C1 B10806 [0,1,0,0,0,1|1,0,0]=3 590 B8R1.4 CC1=CC(Br)=NC=C1 B5404 [0,1,0,0,0,1|1,0,0]=3 591 B8R1.4 CC1=CC(Br)=NC=N1 B40871 [0,1,0,0,0,1|1,0,0]=3 592 B8R1.4 CC1=CC(C)=NC=N1 D7855 [0,1,0,0,0,1|1,0,0]=3 593 B8R1.4 CC1=CC(Cl)=CN=C1 C22076 [0,1,0,0,0,1|1,0,0]=3 594 B8R1.4 CC1=CC(Cl)=NC=C1 C4515 [0,1,0,0,0,1|1,0,0]=3 595 B8R1.4 CC1=CC(Cl)=NC=N1 C11796 [0,1,0,0,0,1|1,0,0]=3 596 B8R1.4 CC1=CC(Cl)=NN=C1 C2948 [0,1,0,0,0,1|0,0,1]=3 597 B8R1.4 CC1=CC(F)=CN=C1 F42848 [0,1,0,0,0,1|1,0,0]=3 598 B8R1.4 CC1=CC(N)=NC=C1 M67573 [0,1,0,0,0,1|1,0,0]=3 599 B8R1.4 CC1=CC(N)=NC=N1 M8922 [0,1,0,0,0,1|1,0,0]=3 600 B8R1.4 CC1=CC(O)=CN=C1 H23648 [0,1,0,0,0,1|1,0,0]=3 601 B8R1.4 CC1=CC(O)=NC=C1 M18825 [0,1,0,0,0,1|1,0,0]=3 602 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,1,0,0,0,1|2,0,0]=4 603 B8R1.4 CC1=CC=CC(Br)=N1 B39267 [0,1,0,0,0,1|2,0,0]=4 604 B8R1.4 CC1=CC=CC(Cl)=N1 C4547 [0,1,0,0,0,1|2,0,0]=4 605 B8R1.4 CC1=CC=CC(F)=N1 F39268 [0,1,0,0,0,1|2,0,0]=4 606 B8R1.4 CC1=CC=CC(I)=C1 K68735 [0,1,0,0,0,1|2,0,0]=4 607 B8R1.4 CC1=CC=CC(I)=N1 K42850 [0,1,0,0,0,1|2,0,0]=4 608 B8R1.4 CC1=CC=CC(N)=N1 A13755 [0,1,0,0,0,1|2,0,0]=4 609 B8R1.4 CC1=CC=CC(S)=N1 M38177 [0,1,0,0,0,1|2,0,0]=4 610 B8R1.4 CC1=CC=CC([Mg+])=C1 M31730 [0,1,0,0,0,1|2,0,0]=4 611 B8R1.4 CC1=CC=NC(Br)=N1 B40870 [0,1,0,0,0,1|1,0,0]=3 612 B8R1.4 CC1=CC=NC(C)=N1 D43181 [0,1,0,0,0,1|1,0,0]=3 613 B8R1.4 CC1=CC=NC(Cl)=N1 C3497 [0,1,0,0,0,1|1,0,0]=3 614 B8R1.4 CC1=CC=NC(I)=N1 I37139 [0,1,0,0,0,1|1,0,0]=3 615 B8R1.4 CC1=CC=NC(N)=N1 M41141 [0,1,0,0,0,1|1,0,0]=3 616 B8R1.4 CC1=CC=NC(O)=N1 M68180 [0,1,0,0,0,1|1,0,0]=3 617 B8R1.4 CC1=CN=CC(Br)=N1 B38752 [0,1,0,0,0,1|1,0,0]=3 618 B8R1.4 CC1=CN=CC(C)=N1 D69480 [0,1,0,0,0,1|1,0,0]=3 619 B8R1.4 CC1=CN=CC(Cl)=N1 C37906 [0,1,0,0,0,1|1,0,0]=3 620 B8R1.4 CC1=CN=CC(N)=C1 A4718 [0,1,0,0,0,1|1,0,0]=3 621 B8R1.4 CC1=CN=CC(N)=N1 M41139 [0,1,0,0,0,1|1,0,0]=3 622 B8R1.4 CC1=CN=CC(O)=N1 M67557 [0,1,0,0,0,1|1,0,0]=3 623 B8R1.4 CC1=NC=CC(=O)N1 M41026 [0,1,0,0,0,1|2,0,0]=4 624 B8R1.4 CC1=NC=CC(Br)=C1 B1746 [0,1,0,0,0,1|2,0,0]=4 625 B8R1.4 CC1=NC=CC(Br)=N1 B32286 [0,1,0,0,0,1|2,0,0]=4 626 B8R1.4 CC1=NC=CC(Cl)=C1 C42842 [0,1,0,0,0,1|2,0,0]=4 627 B8R1.4 CC1=NC=CC(Cl)=N1 C11598 [0,1,0,0,0,1|2,0,0]=4 628 B8R1.4 CC1=NC=CC(F)=C1 F67675 [0,1,0,0,0,1|2,0,0]=4 629 B8R1.4 CC1=NC=CC(I)=C1 K42851 [0,1,0,0,0,1|2,0,0]=4 630 B8R1.4 CC1=NC=CC(N)=C1 A12847 [0,1,0,0,0,1|2,0,0]=4 631 B8R1.4 CC1=NC=CC(N)=N1 M9010 [0,1,0,0,0,1|2,0,0]=4 632 B8R1.4 CC1=NC=CC(O)=C1 H1019 [0,1,0,0,0,1|2,0,0]=4 633 B8R1.4 CC1=NC=CC(O)=N1 M69189 [0,1,0,0,0,1|2,0,0]=4 634 B8R1.4 ClC1=CC(Br)=CN=C1 B5214 [0,1,0,0,0,1|2,0,0]=4 635 B8R1.4 ClC1=CC(Br)=CN=N1 B17337 [0,1,0,0,0,1|1,0,1]=4 636 B8R1.4 ClC1=CC(Br)=NC=C1 B2615 [0,1,0,0,0,1|2,0,0]=4 637 B8R1.4 ClC1=CC(Cl)=NC=C1 D31097 [0,1,0,0,0,1|2,0,0]=4 638 B8R1.4 ClC1=CC(Cl)=NN=C1 D39979 [0,1,0,0,0,1|1,0,1]=4 639 B8R1.4 ClC1=CC(I)=CN=C1 C40646 [0,1,0,0,0,1|2,0,0]=4 640 B8R1.4 ClC1=CC(I)=NC=C1 C37780 [0,1,0,0,0,1|2,0,0]=4 641 B8R1.4 ClC1=CC(I)=NC=N1 C39983 [0,1,0,0,0,1|2,0,0]=4 642 B8R1.4 ClC1=CC=NC(Cl)=N1 D2489 [0,1,0,0,0,1|2,0,0]=4 643 B8R1.4 ClC1=CN=CC(Cl)=C1 D22607 [0,1,0,0,0,1|2,0,0]=4 644 B8R1.4 ClC1=CN=CC(Cl)=N1 D2303 [0,1,0,0,0,1|2,0,0]=4 645 B8R1.4 ClC1=NC=CC(Br)=C1 B2879 [0,1,0,0,0,1|2,0,0]=4 646 B8R1.4 ClC1=NC=CC(Br)=N1 B39977 [0,1,0,0,0,1|2,0,0]=4 647 B8R1.4 ClC1=NC=CC(I)=C1 C2347 [0,1,0,0,0,1|2,0,0]=4 648 B8R1.4 FC1=CC(Br)=CN=C1 B4562 [0,1,0,0,0,1|2,0,0]=4 649 B8R1.4 FC1=CC(Br)=NC=C1 B4916 [0,1,0,0,0,1|2,0,0]=4 650 B8R1.4 FC1=CC(Cl)=CN=C1 C40642 [0,1,0,0,0,1|2,0,0]=4 651 B8R1.4 FC1=CC(Cl)=NC=C1 C40640 [0,1,0,0,0,1|2,0,0]=4 652 B8R1.4 FC1=CC(F)=NC=C1 D12477 [0,1,0,0,0,1|2,0,0]=4 653 B8R1.4 FC1=CC(F)=NC=N1 D39984 [0,1,0,0,0,1|2,0,0]=4 654 B8R1.4 FC1=CC(I)=CN=C1 F40651 [0,1,0,0,0,1|2,0,0]=4 655 B8R1.4 FC1=CN=CC(F)=C1 D2972 [0,1,0,0,0,1|2,0,0]=4 656 B8R1.4 FC1=NC=CC(Br)=C1 B2295 [0,1,0,0,0,1|2,0,0]=4 657 B8R1.4 FC1=NC=CC(Cl)=C1 C40643 [0,1,0,0,0,1|2,0,0]=4 658 B8R1.4 FC1=NC=CC(Cl)=N1 C24022 [0,1,0,0,0,1|2,0,0]=4 659 B8R1.4 FC1=NC=CC(I)=C1 F2382 [0,1,0,0,0,1|2,0,0]=4 660 B8R1.4 IC1=CC(I)=NC=N1 D2601 [0,1,0,0,0,1|2,0,0]=4 661 B8R1.4 IC1=CC=NC(I)=N1 D39987 [0,1,0,0,0,1|2,0,0]=4 662 B8R1.4 IC1=CN=CC(I)=C1 D7814 [0,1,0,0,0,1|2,0,0]=4 663 B8R1.4 IC1=CN=CC(I)=N1 D2671 [0,1,0,0,0,1|2,0,0]=4 664 B8R1.4 NC1=CC(=O)NC=C1 A0052 [0,1,0,0,0,1|2,0,0]=4 665 B8R1.4 NC1=CC(=O)NN=C1 A12960 [0,1,0,0,0,1|1,0,0]=3 666 B8R1.4 NC1=CC(Br)=CN=C1 A4523 [0,1,0,0,0,1|2,0,0]=4 667 B8R1.4 NC1=CC(Br)=CN=N1 B37663 [0,1,0,0,0,1|1,0,1]=4 668 B8R1.4 NC1=CC(Br)=NC=C1 A2493 [0,1,0,0,0,1|2,0,0]=4 669 B8R1.4 NC1=CC(Br)=NC=N1 A40083 [0,1,0,0,0,1|2,0,0]=4 670 B8R1.4 NC1=CC(Cl)=CN=C1 C22457 [0,1,0,0,0,1|2,0,0]=4 671 B8R1.4 NC1=CC(Cl)=CN=N1 C10645 [0,1,0,0,0,1|1,0,1]=4 672 B8R1.4 NC1=CC(Cl)=NC=C1 A4859 [0,1,0,0,0,1|2,0,0]=4 673 B8R1.4 NC1=CC(Cl)=NC=N1 A3588 [0,1,0,0,0,1|2,0,0]=4 674 B8R1.4 NC1=CC(Cl)=NN=C1 C14721 [0,1,0,0,0,1|1,0,1]=4 675 B8R1.4 NC1=CC(F)=CN=C1 F40881 [0,1,0,0,0,1|2,0,0]=4 676 B8R1.4 NC1=CC(F)=NC=C1 A10494 [0,1,0,0,0,1|2,0,0]=4 677 B8R1.4 NC1=CC(I)=NC=N1 K40088 [0,1,0,0,0,1|2,0,0]=4 678 B8R1.4 NC1=CC(O)=CN=C1 A41024 [0,1,0,0,0,1|2,0,0]=4 679 B8R1.4 NC1=CC(O)=CN=C1 A41394 [0,1,0,0,0,1|2,0,0]=4 680 B8R1.4 NC1=CC(O)=NC=C1 A41022 [0,1,0,0,0,1|2,0,0]=4 681 B8R1.4 NC1=CC(O)=NC=N1 A37595 [0,1,0,0,0,1|2,0,0]=4 682 B8R1.4 NC1=CC=NC(Br)=N1 A40082 [0,1,0,0,0,1|2,0,0]=4 683 B8R1.4 NC1=CC=NC(Cl)=N1 A0247 [0,1,0,0,0,1|2,0,0]=4 684 B8R1.4 NC1=CC=NC(F)=N1 F30033 [0,1,0,0,0,1|2,0,0]=4 685 B8R1.4 NC1=CN=CC(Br)=N1 B24169 [0,1,0,0,0,1|2,0,0]=4 686 B8R1.4 NC1=CN=CC(Cl)=N1 A2337 [0,1,0,0,0,1|2,0,0]=4 687 B8R1.4 NC1=CN=CC(N)=C1 P41138 [0,1,0,0,0,1|2,0,0]=4 688 B8R1.4 NC1=CN=CC(N)=N1 P40325 [0,1,0,0,0,1|2,0,0]=4 689 B8R1.4 NC1=NC=CC(=O)N1 A7573 [0,1,0,0,0,1|2,0,0]=4 690 B8R1.4 NC1=NC=CC(Br)=C1 A4983 [0,1,0,0,0,1|2,0,0]=4 691 B8R1.4 NC1=NC=CC(Br)=N1 A7574 [0,1,0,0,0,1|2,0,0]=4 692 B8R1.4 NC1=NC=CC(Cl)=C1 A1518 [0,1,0,0,0,1|2,0,0]=4 693 B8R1.4 NC1=NC=CC(Cl)=N1 A1533 [0,1,0,0,0,1|2,0,0]=4 694 B8R1.4 NC1=NC=CC(F)=C1 A2971 [0,1,0,0,0,1|2,0,0]=4 695 B8R1.4 NC1=NC=CC(F)=N1 F13613 [0,1,0,0,0,1|2,0,0]=4 696 B8R1.4 NC1=NC=CC(I)=C1 A8059 [0,1,0,0,0,1|2,0,0]=4 697 B8R1.4 NC1=NC=CC(I)=N1 A13614 [0,1,0,0,0,1|2,0,0]=4 698 B8R1.4 NC1=NC=CC(O)=C1 A41020 [0,1,0,0,0,1|2,0,0]=4 699 B8R1.4 O=C1C=C(Br)C=CN1 B11835 [0,1,0,0,0,1|2,0,0]=4 700 B8R1.4 O=C1C=C(Cl)C=NN1 C24776 [0,1,0,0,0,1|1,0,0]=3 701 B8R1.4 O=C1C=C(Cl)N=CN1 C23826 [0,1,0,0,0,1|2,0,0]=4 702 B8R1.4 O=C1C=C(F)C=CN1 F32104 [0,1,0,0,0,1|2,0,0]=4 703 B8R1.4 O=C1C=C(I)C=CN1 K40859 [0,1,0,0,0,1|2,0,0]=4 704 B8R1.4 O=C1C=C(I)C=NN1 I1957 [0,1,0,0,0,1|1,0,0]=3 705 B8R1.4 O=C1C=C(O)C=CN1 H69391 [0,1,0,0,0,1|2,0,0]=4 706 B8R1.4 O=C1C=NNC(=O)N1 T67999 [0,1,0,0,0,1|1,0,0]=3 707 B8R1.4 O=C1C=NNC(=S)N1 T39825 [0,1,0,0,0,1|1,0,0]=3 708 B8R1.4 OC1=CC(Br)=CN=C1 B13207 [0,1,0,0,0,1|2,0,0]=4 709 B8R1.4 OC1=CC(Br)=NC=C1 B9469 [0,1,0,0,0,1|2,0,0]=4 710 B8R1.4 OC1=CC(Br)=NC=N1 B40039 [0,1,0,0,0,1|2,0,0]=4 711 B8R1.4 OC1=CC(Cl)=CN=C1 C40849 [0,1,0,0,0,1|2,0,0]=4 712 B8R1.4 OC1=CC(Cl)=NC=C1 C4756 [0,1,0,0,0,1|2,0,0]=4 713 B8R1.4 OC1=CC(F)=CN=C1 F40851 [0,1,0,0,0,1|2,0,0]=4 714 B8R1.4 OC1=CC(O)=NC=C1 P61417 [0,1,0,0,0,1|2,0,0]=4 715 B8R1.4 OC1=CC=NC(Cl)=N1 C24271 [0,1,0,0,0,1|2,0,0]=4 716 B8R1.4 OC1=CN=CC(Cl)=N1 C40042 [0,1,0,0,0,1|2,0,0]=4 717 B8R1.4 OC1=CN=CC(O)=C1 P28714 [0,1,0,0,0,1|2,0,0]=4 718 B8R1.4 OC1=NC=CC(Cl)=C1 C40848 [0,1,0,0,0,1|2,0,0]=4 719 B8R1.5 BrC1=C(Br)C=NC=C1 D37531 [0,1,0,0,0,1|2,0,0]=4 720 B8R1.5 BrC1=C(I)C=CC=N1 B40636 [0,1,0,0,0,1|2,0,0]=4 721 B8R1.5 BrC1=C(I)C=CN=C1 B40638 [0,1,0,0,0,1|2,0,0]=4 722 B8R1.5 BrC1=C(I)C=NC=C1 B38878 [0,1,0,0,0,1|2,0,0]=4 723 B8R1.5 BrC1=CN=CN=C1I B14433 [0,1,0,0,0,1|1,0,1]=4 724 B8R1.5 BrC1=NC=CN=C1Br D39975 [0,1,0,0,0,1|2,0,0]=4 725 B8R1.5 CC1=C(Br)C=CC=N1 B10407 [0,1,0,0,0,1|2,0,0]=4 726 B8R1.5 CC1=C(Br)C=CN=C1 B10400 [0,1,0,0,0,1|1,0,0]=3 727 B8R1.5 CC1=C(Br)C=NC=C1 B3515 [0,1,0,0,0,1|1,0,0]=3 728 B8R1.5 CC1=C(Br)C=NC=N1 B14434 [0,1,0,0,0,1|1,0,0]=3 729 B8R1.5 CC1=C(Cl)C=CC=N1 C42843 [0,1,0,0,0,1|2,0,0]=4 730 B8R1.5 CC1=C(Cl)C=CN=C1 C68326 [0,1,0,0,0,1|1,0,0]=3 731 B8R1.5 CC1=C(Cl)C=NC=C1 C42844 [0,1,0,0,0,1|1,0,0]=3 732 B8R1.5 CC1=C(F)C=CC=N1 F69193 [0,1,0,0,0,1|2,0,0]=4 733 B8R1.5 CC1=C(F)C=CN=C1 F43525 [0,1,0,0,0,1|1,0,0]=3 734 B8R1.5 CC1=C(F)C=NC=C1 F3668 [0,1,0,0,0,1|1,0,0]=3 735 B8R1.5 CC1=C(I)C=CC=C1 K67847 [0,1,0,0,0,1|2,0,0]=4 736 B8R1.5 CC1=C(I)C=NC=N1 K40890 [0,1,0,0,0,1|1,0,0]=3 737 B8R1.5 CC1=C(N)C=CN=C1 A4667 [0,1,0,0,0,1|1,0,0]=3 738 B8R1.5 CC1=C(N)C=NC=C1 A14314 [0,1,0,0,0,1|1,0,0]=3 739 B8R1.5 CC1=C(O)C=CC=N1 H10468 [0,1,0,0,0,1|2,0,0]=4 740 B8R1.5 CC1=C(O)C=CN=C1 M43132 [0,1,0,0,0,1|1,0,0]=3 741 B8R1.5 CC1=C(O)C=NC=C1 H12910 [0,1,0,0,0,1|1,0,0]=3 742 B8R1.5 CC1=C([Mg+])C=CC=C1 M31729 [0,1,0,0,0,1|2,0,0]=4 743 B8R1.5 CC1=CC=CN=C1Br B13771 [0,1,0,0,0,1|1,0,0]=3 744 B8R1.5 CC1=CC=CN=C1C L68373 [0,1,0,0,0,1|1,0,0]=3 745 B8R1.5 CC1=CC=CN=C1Cl C21969 [0,1,0,0,0,1|1,0,0]=3 746 B8R1.5 CC1=CC=CN=C1F F42847 [0,1,0,0,0,1|1,0,0]=3 747 B8R1.5 CC1=CC=CN=C1N M20541 [0,1,0,0,0,1|1,0,0]=3 748 B8R1.5 CC1=CC=CNC1=O M68618 [0,1,0,0,0,1|1,0,0]=3 749 B8R1.5 CC1=CC=NN=C1Cl C20457 [0,1,0,0,0,1|0,0,1]=3 750 B8R1.5 CC1=CC=NN=C1Cl C2949 [0,1,0,0,0,1|0,0,1]=3 751 B8R1.5 CC1=CC=NNC1=O M5790 [0,1,0,0,0,1|0,0,0]=2 752 B8R1.5 CC1=CN=CN=C1Cl C24055 [0,1,0,0,0,1|0,0,1]=3 753 B8R1.5 CC1=CN=CN=C1N A38299 [0,1,0,0,0,1|0,0,1]=3 754 B8R1.5 CC1=CN=CN=C1O H41028 [0,1,0,0,0,1|0,0,1]=3 755 B8R1.5 CC1=CN=NC=C1N M60072 [0,1,0,0,0,1|0,0,1]=3 756 B8R1.5 CC1=NC=CN=C1Br B14599 [0,1,0,0,0,1|1,0,0]=3 757 B8R1.5 CC1=NC=CN=C1Cl C14608 [0,1,0,0,0,1|1,0,0]=3 758 B8R1.5 CC1=NC=CN=C1I I14601 [0,1,0,0,0,1|1,0,0]=3 759 B8R1.5 CC1=NC=CN=C1N A14593 [0,1,0,0,0,1|1,0,0]=3 760 B8R1.5 CC1=NC=CN=C1O H14600 [0,1,0,0,0,1|1,0,0]=3 761 B8R1.5 CC1=NC=NC=C1N A14334 [0,1,0,0,0,1|1,0,0]=3 762 B8R1.5 ClC1=C(Br)C=CC=N1 B9483 [0,1,0,0,0,1|2,0,0]=4 763 B8R1.5 ClC1=C(Br)C=CN=C1 B3024 [0,1,0,0,0,1|2,0,0]=4 764 B8R1.5 ClC1=C(Br)C=NC=C1 B23333 [0,1,0,0,0,1|2,0,0]=4 765 B8R1.5 ClC1=C(Br)C=NC=C1 B5671 [0,1,0,0,0,1|2,0,0]=4 766 B8R1.5 ClC1=C(Br)C=NC=N1 C0422 [0,1,0,0,0,1|1,0,1]=4 767 B8R1.5 ClC1=C(Cl)C=NC=C1 D40639 [0,1,0,0,0,1|2,0,0]=4 768 B8R1.5 ClC1=C(I)C=CC=N1 C3030 [0,1,0,0,0,1|2,0,0]=4 769 B8R1.5 ClC1=C(I)C=CN=C1 C40645 [0,1,0,0,0,1|2,0,0]=4 770 B8R1.5 ClC1=C(I)C=NC=C1 C26241 [0,1,0,0,0,1|2,0,0]=4 771 B8R1.5 ClC1=C(I)C=NC=C1 C40647 [0,1,0,0,0,1|2,0,0]=4 772 B8R1.5 ClC1=C(I)C=NC=N1 C10398 [0,1,0,0,0,1|1,0,1]=4 773 B8R1.5 ClC1=CC=CN=C1Br B40634 [0,1,0,0,0,1|2,0,0]=4 774 B8R1.5 ClC1=CC=CN=C1Cl D5123 [0,1,0,0,0,1|2,0,0]=4 775 B8R1.5 ClC1=CC=CN=C1I C25332 [0,1,0,0,0,1|2,0,0]=4 776 B8R1.5 ClC1=CC=NN=C1Cl D10572 [0,1,0,0,0,1|1,0,1]=4 777 B8R1.5 ClC1=CN=CN=C1Cl D12602 [0,1,0,0,0,1|1,0,1]=4 778 B8R1.5 ClC1=NC=CN=C1Br B37498 [0,1,0,0,0,1|2,0,0]=4 779 B8R1.5 ClC1=NC=CN=C1Cl D7674 [0,1,0,0,0,1|2,0,0]=4 780 B8R1.5 ClC1=NC=CN=C1I C39981 [0,1,0,0,0,1|2,0,0]=4 781 B8R1.5 FC1=C(Br)C=CC=N1 B2291 [0,1,0,0,0,1|2,0,0]=4 782 B8R1.5 FC1=C(Br)C=CN=C1 B7643 [0,1,0,0,0,1|2,0,0]=4 783 B8R1.5 FC1=C(Br)C=NC=C1 B4918 [0,1,0,0,0,1|2,0,0]=4 784 B8R1.5 FC1=C(Cl)C=CC=N1 C3434 [0,1,0,0,0,1|2,0,0]=4 785 B8R1.5 FC1=C(Cl)C=CN=C1 C22665 [0,1,0,0,0,1|2,0,0]=4 786 B8R1.5 FC1=C(Cl)C=CN=C1 C5574 [0,1,0,0,0,1|2,0,0]=4 787 B8R1.5 FC1=C(F)C=NC=C1 D36882 [0,1,0,0,0,1|2,0,0]=4 788 B8R1.5 FC1=C(I)C=CC=N1 F2381 [0,1,0,0,0,1|2,0,0]=4 789 B8R1.5 FC1=C(I)C=CN=C1 F12620 [0,1,0,0,0,1|2,0,0]=4 790 B8R1.5 FC1=CC=CN=C1Br B3502 [0,1,0,0,0,1|2,0,0]=4 791 B8R1.5 FC1=CC=CN=C1Cl C3353 [0,1,0,0,0,1|2,0,0]=4 792 B8R1.5 FC1=CC=CN=C1F D40648 [0,1,0,0,0,1|2,0,0]=4 793 B8R1.5 FC1=CC=CN=C1I F10819 [0,1,0,0,0,1|2,0,0]=4 794 B8R1.5 FC1=CN=CN=C1Cl C2977 [0,1,0,0,0,1|1,0,1]=4 795 B8R1.5 FC1=NC=CN=C1I F6274 [0,1,0,0,0,1|2,0,0]=4 796 B8R1.5 NC1=C(Br)C=CC=N1 A12591 [0,1,0,0,0,1|2,0,0]=4 797 B8R1.5 NC1=C(Br)C=CN=C1 A8893 [0,1,0,0,0,1|2,0,0]=4 798 B8R1.5 NC1=C(Br)C=NC=C1 A40869 [0,1,0,0,0,1|2,0,0]=4 799 B8R1.5 NC1=C(Br)C=NC=N1 A38147 [0,1,0,0,0,1|1,0,1]=4 800 B8R1.5 NC1=C(Br)C=NN=C1 B36813 [0,1,0,0,0,1|1,0,1]=4 801 B8R1.5 NC1=C(Cl)C=CC=N1 A3433 [0,1,0,0,0,1|2,0,0]=4 802 B8R1.5 NC1=C(Cl)C=CN=C1 A22240 [0,1,0,0,0,1|2,0,0]=4 803 B8R1.5 NC1=C(Cl)C=NC=C1 A8881 [0,1,0,0,0,1|2,0,0]=4 804 B8R1.5 NC1=C(Cl)C=NC=N1 A40085 [0,1,0,0,0,1|1,0,1]=4 805 B8R1.5 NC1=C(Cl)C=NN=C1 C24109 [0,1,0,0,0,1|1,0,1]=4 806 B8R1.5 NC1=C(F)C=CC=N1 A37908 [0,1,0,0,0,1|2,0,0]=4 807 B8R1.5 NC1=C(F)C=NC=C1 A2815 [0,1,0,0,0,1|2,0,0]=4 808 B8R1.5 NC1=C(F)C=NC=N1 F38859 [0,1,0,0,0,1|1,0,1]=4 809 B8R1.5 NC1=C(I)C=CC=N1 I0599 [0,1,0,0,0,1|2,0,0]=4 810 B8R1.5 NC1=C(I)C=CN=C1 I12632 [0,1,0,0,0,1|2,0,0]=4 811 B8R1.5 NC1=C(I)C=NC=C1 A3436 [0,1,0,0,0,1|2,0,0]=4 812 B8R1.5 NC1=C(I)C=NC=N1 I38757 [0,1,0,0,0,1|1,0,1]=4 813 B8R1.5 NC1=C(N)C=NC=C1 P24217 [0,1,0,0,0,1|2,0,0]=4 814 B8R1.5 NC1=C(O)C=CC=N1 A31053 [0,1,0,0,0,1|2,0,0]=4 815 B8R1.5 NC1=C(O)C=CN=C1 A4768 [0,1,0,0,0,1|2,0,0]=4 816 B8R1.5 NC1=C(O)C=NC=C1 A38212 [0,1,0,0,0,1|2,0,0]=4 817 B8R1.5 NC1=C(O)C=NC=C1 A62454 [0,1,0,0,0,1|2,0,0]=4 818 B8R1.5 NC1=C(O)C=NC=N1 A40129 [0,1,0,0,0,1|1,0,1]=4 819 B8R1.5 NC1=C(S)C=NC=C1 A21808 [0,1,0,0,0,1|2,0,0]=4 820 B8R1.5 NC1=CC=CN=C1Br A4535 [0,1,0,0,0,1|2,0,0]=4 821 B8R1.5 NC1=CC=CN=C1Cl C0716 [0,1,0,0,0,1|2,0,0]=4 822 B8R1.5 NC1=CC=CN=C1F F9484 [0,1,0,0,0,1|2,0,0]=4 823 B8R1.5 NC1=CC=CN=C1I K40887 [0,1,0,0,0,1|2,0,0]=4 824 B8R1.5 NC1=CC=CN=C1O A0666 [0,1,0,0,0,1|2,0,0]=4 825 B8R1.5 NC1=CC=CNC1=S A23408 [0,1,0,0,0,1|2,0,0]=4 826 B8R1.5 NC1=CN=CN=C1Br A40084 [0,1,0,0,0,1|1,0,1]=4 827 B8R1.5 NC1=CN=CN=C1Cl C24195 [0,1,0,0,0,1|1,0,1]=4 828 B8R1.5 NC1=CN=CN=C1I K67761 [0,1,0,0,0,1|1,0,1]=4 829 B8R1.5 NC1=CN=CN=C1N P40201 [0,1,0,0,0,1|1,0,1]=4 830 B8R1.5 NC1=CN=CNC1=O A40131 [0,1,0,0,0,1|1,0,0]=3 831 B8R1.5 NC1=CN=NC=C1N P40200 [0,1,0,0,0,1|1,0,1]=4 832 B8R1.5 NC1=CNC=CC1=O A41025 [0,1,0,0,0,1|2,0,0]=4 833 B8R1.5 NC1=NC=CN=C1Br A38037 [0,1,0,0,0,1|2,0,0]=4 834 B8R1.5 NC1=NC=CN=C1Cl A5117 [0,1,0,0,0,1|2,0,0]=4 835 B8R1.5 NC1=NC=CN=C1N D14607 [0,1,0,0,0,1|2,0,0]=4 836 B8R1.5 NC1=NC=CNC1=O A40130 [0,1,0,0,0,1|2,0,0]=4 837 B8R1.5 O=C1NC=CC=C1Br B12634 [0,1,0,0,0,1|2,0,0]=4 838 B8R1.5 O=C1NC=CN=C1Cl C40043 [0,1,0,0,0,1|2,0,0]=4 839 B8R1.5 O=C1NC=NC=C1Cl C12601 [0,1,0,0,0,1|1,0,0]=3 840 B8R1.5 O=C1NC=NC=C1I I12600 [0,1,0,0,0,1|1,0,0]=3 841 B8R1.5 O=C1NC=NC=C1O H40075 [0,1,0,0,0,1|1,0,0]=3 842 B8R1.5 O=C1NC=NC=C1O H40320 [0,1,0,0,0,1|1,0,0]=3 843 B8R1.5 O=C1NN=CC=C1Cl C10571 [0,1,0,0,0,1|1,0,0]=3 844 B8R1.5 OC1=C(Br)C=CN=C1 B37993 [0,1,0,0,0,1|2,0,0]=4 845 B8R1.5 OC1=C(Br)C=NC=N1 B0421 [0,1,0,0,0,1|1,0,1]=4 846 B8R1.5 OC1=C(Br)C=NN=C1 B62949 [0,1,0,0,0,1|1,0,1]=4 847 B8R1.5 OC1=C(Cl)C=CC=N1 C40847 [0,1,0,0,0,1|2,0,0]=4 848 B8R1.5 OC1=C(Cl)C=CN=C1 C36961 [0,1,0,0,0,1|2,0,0]=4 849 B8R1.5 OC1=C(Cl)C=NC=C1 C39064 [0,1,0,0,0,1|2,0,0]=4 850 B8R1.5 OC1=C(Cl)C=NN=C1 C37229 [0,1,0,0,0,1|1,0,1]=4 851 B8R1.5 OC1=C(F)C=CC=N1 F40853 [0,1,0,0,0,1|2,0,0]=4 852 B8R1.5 OC1=C(F)C=NC=C1 F22449 [0,1,0,0,0,1|2,0,0]=4 853 B8R1.5 OC1=C(I)C=CC=N1 K40856 [0,1,0,0,0,1|2,0,0]=4 854 B8R1.5 OC1=C(I)C=CN=C1 I38060 [0,1,0,0,0,1|2,0,0]=4 855 B8R1.5 OC1=C(I)C=NC=C1 K40857 [0,1,0,0,0,1|2,0,0]=4 856 B8R1.5 OC1=CC=CN=C1Br B12744 [0,1,0,0,0,1|2,0,0]=4 857 B8R1.5 OC1=CC=CN=C1Cl C10469 [0,1,0,0,0,1|2,0,0]=4 858 B8R1.5 OC1=CC=CN=C1F F40850 [0,1,0,0,0,1|2,0,0]=4 859 B8R1.5 OC1=CC=CN=C1I H23528 [0,1,0,0,0,1|2,0,0]=4 860 B8R1.5 OC1=NC=CN=C1Br B40038 [0,1,0,0,0,1|2,0,0]=4 861 B8R1.5 OC1=NC=CN=C1O P40073 [0,1,0,0,0,1|2,0,0]=4 862 B8R1.5 SC1=C(Br)C=NC=C1 B67001 [0,1,0,0,0,1|2,0,0]=4 863 B8R1.1 CC1=CC(C#N)=NN1 M9814 [0,2,0,0,0,0|2,0,0]=4 864 B8R1.1 CC1=CC(C=O)=NN1 M41030 [0,2,0,0,0,0|2,0,0]=4 865 B8R1.1 CC1=CC(CN)=NO1 M15781 [0,2,0,0,0,0|2,0,0]=4 866 B8R1.1 CC1=CN=C(C=O)S1 M19270 [0,2,0,0,0,0|2,0,0]=4 867 B8R1.1 CC1=CN=C(CO)S1 M41173 [0,2,0,0,0,0|2,0,0]=4 868 B8R1.1 CC1=CNC(C#N)=N1 M40951 [0,2,0,0,0,0|2,0,0]=4 869 B8R1.1 CC1=COC(C=O)=C1 M13538 [0,2,0,0,0,0|2,0,0]=4 870 B8R1.1 CC1=CSC(C=O)=C1 M42959 [0,2,0,0,0,0|2,0,0]=4 871 B8R1.1 CC1=NC=C(CBr)S1 B41111 [0,2,0,0,0,0|2,0,0]=4 872 B8R1.1 CC1=NC=C(CN)O1 M41197 [0,2,0,0,0,0|2,0,0]=4 873 B8R1.1 CC1=NC=C(CO)O1 M37561 [0,2,0,0,0,0|2,0,0]=4 874 B8R1.1 CC1=NC=C(CO)S1 M1967 [0,2,0,0,0,0|2,0,0]=4 875 B8R1.1 CC1=NOC(CN)=C1 M41364 [0,2,0,0,0,0|2,0,0]=4 876 B8R1.1 CCC1=CC(N)=NO1 E41190 [0,2,0,0,0,0|2,0,0]=4 877 B8R1.1 CCC1=CN=C(C)N1 E41428 [0,2,0,0,0,0|2,0,0]=4 878 B8R1.1 CCC1=CN=C(N)S1 E41203 [0,2,0,0,0,0|2,0,0]=4 879 B8R1.1 CCC1=CN=C(N)S1 E69753 [0,2,0,0,0,0|2,0,0]=4 880 B8R1.1 CCC1=NNC(N)=C1 A9777 [0,2,0,0,0,0|2,0,0]=4 881 B8R1.1 CCN1C=C(Br)C=N1 B9823 [0,2,0,0,0,0|1,0,0]=3 882 B8R1.1 CCN1C=C(N)C=N1 A12746 [0,2,0,0,0,0|1,0,0]=3 883 B8R1.1 CC[N+]1=CN(C)C=C1 E38121 [0,2,0,0,0,0|2,0,0]=4 884 B8R1.1 CC[N+]1=CN(C)C=C1 E41405 [0,2,0,0,0,0|2,0,0]=4 885 B8R1.1 CC[N+]1=CN(C)C=C1 E43585 [0,2,0,0,0,0|2,0,0]=4 886 B8R1.1 CC[N+]1=CN(C)C=C1 E46615 [0,2,0,0,0,0|2,0,0]=4 887 B8R1.1 CN1C=C(C#N)C=N1 M12749 [0,2,0,0,0,0|0,0,1]=3 888 B8R1.1 CN1C=C(C=O)C=N1 M6127 [0,2,0,0,0,0|0,0,1]=3 889 B8R1.1 CN1C=C(CBr)C=N1 B27149 [0,2,0,0,0,0|0,0,0]=2 890 B8R1.1 CN1C=C(CN)C=N1 M16591 [0,2,0,0,0,0|0,0,0]=2 891 B8R1.1 CN1C=C(CN)C=N1 M17032 [0,2,0,0,0,0|0,0,0]=2 892 B8R1.1 CN1C=C(CN)C=N1 M9443 [0,2,0,0,0,0|0,0,0]=2 893 B8R1.1 CN1C=C(CO)C=N1 M10343 [0,2,0,0,0,0|0,0,0]=2 894 B8R1.1 CN1C=CC(CCl)=N1 C25609 [0,2,0,0,0,0|2,0,0]=4 895 B8R1.1 CN1C=CC(CN)=N1 M9952 [0,2,0,0,0,0|2,0,0]=4 896 B8R1.1 CN1C=CC(CO)=N1 M9953 [0,2,0,0,0,0|2,0,0]=4 897 B8R1.1 CN1C=NC(C#N)=C1 M14079 [0,2,0,0,0,0|2,0,0]=4 898 B8R1.1 CN1C=NC(C=O)=C1 M11287 [0,2,0,0,0,0|2,0,0]=4 899 B8R1.1 CN1C=NC(CCl)=C1 C21803 [0,2,0,0,0,0|2,0,0]=4 900 B8R1.1 CN1C=NC(CN)=C1 A11226 [0,2,0,0,0,0|2,0,0]=4 901 B8R1.1 CN1C=NC(CN)=C1 A11227 [0,2,0,0,0,0|2,0,0]=4 902 B8R1.1 CN1C=NC(CN)=C1 A29740 [0,2,0,0,0,0|2,0,0]=4 903 B8R1.1 CN1C=NC(CO)=C1 M12982 [0,2,0,0,0,0|2,0,0]=4 904 B8R1.1 CNC1=CN(C)N=C1 D41402 [0,2,0,0,0,0|0,0,0]=2 905 B8R1.1 COC1=CC(=O)NC1 M41169 [0,2,0,0,0,0|1,0,1]=4 906 B8R1.1 COC1=CC(N)=NN1 M0643 [0,2,0,0,0,0|2,0,0]=4 907 B8R1.1 COC1=CC(N)=NN1 M13731 [0,2,0,0,0,0|2,0,0]=4 908 B8R1.1 COC1=CC(N)=NO1 M40185 [0,2,0,0,0,0|2,0,0]=4 909 B8R1.1 CSC1=CN=C(N)S1 M40191 [0,2,0,0,0,0|2,0,0]=4 910 B8R1.1 ClCC1=CC(Br)=NO1 B2105 [0,2,0,0,0,0|2,0,0]=4 911 B8R1.1 ClCC1=CN=C(Cl)S1 C2059 [0,2,0,0,0,0|2,0,0]=4 912 B8R1.1 N#CC1=CC(Br)=CN1 B62203 [0,2,0,0,0,0|2,0,0]=4 913 B8R1.1 N#CC1=CC(Cl)=CN1 C40566 [0,2,0,0,0,0|2,0,0]=4 914 B8R1.1 NC1=NC=C(CO)S1 A40187 [0,2,0,0,0,0|2,0,0]=4 915 B8R1.1 NC1=NNC(CO)=C1 A14738 [0,2,0,0,0,0|2,0,0]=4 916 B8R1.1 NCC1=CN=C(Cl)S1 C40120 [0,2,0,0,0,0|2,0,0]=4 917 B8R1.1 NCC1=CSC(Br)=C1 B16484 [0,2,0,0,0,0|2,0,0]=4 918 B8R1.1 NCC1=CSC(Cl)=C1 C7665 [0,2,0,0,0,0|2,0,0]=4 919 B8R1.1 O=CC1=CC(Br)=CN1 B38751 [0,2,0,0,0,0|2,0,0]=4 920 B8R1.1 O=CC1=CC(Cl)=CN1 C14574 [0,2,0,0,0,0|2,0,0]=4 921 B8R1.1 O=CC1=CC(I)=CN1 K40861 [0,2,0,0,0,0|2,0,0]=4 922 B8R1.1 OCC1=CC(Br)=NO1 B2177 [0,2,0,0,0,0|2,0,0]=4 923 B8R1.1 OCC1=CN=C(Br)S1 B2127 [0,2,0,0,0,0|2,0,0]=4 924 B8R1.1 OCC1=CN=C(Cl)S1 C2061 [0,2,0,0,0,0|2,0,0]=4 925 B8R1.1 OCC1=CSC(Cl)=C1 C7721 [0,2,0,0,0,0|2,0,0]=4 926 B8R1.7 CC(=O)C1=CC=NN1 P61226 [0,2,0,0,0,0|2,0,0]=4 927 B8R1.7 CC(=O)C1=CC=NO1 K40990 [0,2,0,0,0,0|2,0,0]=4 928 B8R1.7 CC(=O)C1=CNC=C1 A37548 [0,2,0,0,0,0|1,0,0]=3 929 B8R1.7 CC(=O)C1=CNC=N1 A41019 [0,2,0,0,0,0|2,0,0]=4 930 B8R1.7 CC(=O)C1=CNN=C1 P22638 [0,2,0,0,0,0|0,0,0]=2 931 B8R1.7 CC(=O)C1=CSC=C1 A12828 [0,2,0,0,0,0|2,0,0]=4 932 B8R1.7 CC(=O)N1C=CN=C1 I37940 [0,2,0,0,0,0|2,0,0]=4 933 B8R1.7 CC(C)C1=NNC=C1 P9834 [0,2,0,0,0,0|2,0,0]=4 934 B8R1.7 C[C@H](N)C1=CN=CN1 K62106 [0,2,0,0,0,0|2,0,0]=4 935 B8R1.7 C[C@H](N)C1=CNC=N1 K41398 [0,2,0,0,0,0|2,0,0]=4 936 B8R1.7 FC(F)C1=CNN=C1 D32357 [0,2,0,0,0,0|0,0,0]=2 937 B8R1.7 O=C(O)C1=CNN=C1 P10474 [0,2,0,0,0,0|0,0,1]=3 938 B8R1.7 O=C(O)C1=CNN=N1 T38190 [0,2,0,0,0,0|1,0,1]=4 939 B8R1.7 O=C(O)C1=CON=C1 X24704 [0,2,0,0,0,0|1,0,1]=4 940 B8R1.7 O=C(O)C1=CSN=C1 T40062 [0,2,0,0,0,0|1,0,1]=4 941 B8R1.7 O=[N+]([O-])C1=CNC=C1 N38853 [0,2,0,0,0,0|2,0,0]=4 942 B8R1.7 O=[N+]([O-])C1=CNN=C1 N22273 [0,2,0,0,0,0|1,0,0]=3 943 B8R1.7 O=[N+]([O-])C1=CON=C1 N61936 [0,2,0,0,0,0|2,0,0]=4 944 B8R1.7 O=[N+]([O-])C1=CSN=C1 N63177 [0,2,0,0,0,0|2,0,0]=4 945 B8R1.7 OB(O)C1=CNN=C1 P9016 [0,2,0,0,0,0|1,0,0]=3 946 B8R1.7 OB(O)C1=CON=C1 I32440 [0,2,0,0,0,0|2,0,0]=4 947 B8R1.8 CCSC1=NNN=N1 E68584 [0,2,0,0,0,0|2,0,0]=4 948 B8R1.8 CNCC1=CSC=C1 M43396 [0,2,0,0,0,0|2,0,0]=4 949 B8R1.8 COCN1C=CN=C1 M41195 [0,2,0,0,0,0|2,0,0]=4 950 B8R1.8 ClCCN1C=CN=C1 C41131 [0,2,0,0,0,0|2,0,0]=4 951 B8R1.8 N#CCC1=CN=CN1 I7680 [0,2,0,0,0,0|2,0,0]=4 952 B8R1.8 N#CCC1=CSC=C1 T12833 [0,2,0,0,0,0|2,0,0]=4 953 B8R1.8 N#CCC1=NNC=C1 P12902 [0,2,0,0,0,0|2,0,0]=4 954 B8R1.8 N#CCN1C=CN=C1 K40949 [0,2,0,0,0,0|2,0,0]=4 955 B8R1.8 NCCC1=CN=CS1 T41396 [0,2,0,0,0,0|2,0,0]=4 956 B8R1.8 NCCC1=CSC=C1 T1049 [0,2,0,0,0,0|2,0,0]=4 957 B8R1.8 NCCC1=CSC=C1 T10491 [0,2,0,0,0,0|2,0,0]=4 958 B8R1.8 NCCC1=NNN=N1 T62570 [0,2,0,0,0,0|2,0,0]=4 959 B8R1.8 NCCN1C=CN=C1 K41369 [0,2,0,0,0,0|2,0,0]=4 960 B8R1.8 NCCN1C=CN=C1 K41399 [0,2,0,0,0,0|2,0,0]=4 961 B8R1.8 NNCC1=CSC=C1 H13972 [0,2,0,0,0,0|2,0,0]=4 962 B8R1.8 OCCC1=CN=CN1 K41362 [0,2,0,0,0,0|2,0,0]=4 963 B8R1.8 OCCC1=CNC=N1 I10449 [0,2,0,0,0,0|2,0,0]=4 964 B8R1.8 OCCC1=CNN=C1 P41192 [0,2,0,0,0,0|0,0,0]=2 965 B8R1.8 OCCC1=CSC=C1 T12832 [0,2,0,0,0,0|2,0,0]=4 966 B8R1.8 OCCN1C=CN=C1 K41193 [0,2,0,0,0,0|2,0,0]=4 967 B8R1.11 BrCC1=C(Br)SC=C1 B7575 [0,2,0,0,0,0|2,0,0]=4 968 B8R1.11 CC1=C(C=O)N=CN1 M41031 [0,2,0,0,0,0|2,0,0]=4 969 B8R1.11 CC1=C(C=O)N=CS1 M41008 [0,2,0,0,0,0|2,0,0]=4 970 B8R1.11 CC1=C(C=O)NC=C1 M63105 [0,2,0,0,0,0|1,0,0]=3 971 B8R1.11 CC1=C(C=O)SC=C1 M39271 [0,2,0,0,0,0|2,0,0]=4 972 B8R1.11 CC1=C(CCl)NC=N1 C2452 [0,2,0,0,0,0|2,0,0]=4 973 B8R1.11 CC1=C(CO)NC=N1 H2822 [0,2,0,0,0,0|2,0,0]=4 974 B8R1.11 CC1=CNN=C1CO M63844 [0,2,0,0,0,0|0,0,0]=2 975 B8R1.11 CC1=CSC=C1C=O M29934 [0,2,0,0,0,0|2,0,0]=4 976 B8R1.11 CC1=NNC=C1C#N M18620 [0,2,0,0,0,0|0,0,1]=3 977 B8R1.11 CC1=NNC=C1C=O M5838 [0,2,0,0,0,0|0,0,1]=3 978 B8R1.11 CC1=NON=C1CN M61342 [0,2,0,0,0,0|2,0,0]=4 979 B8R1.11 CC1=NSC=C1C#N M40783 [0,2,0,0,0,0|1,0,1]=4 980 B8R1.11 CCC1=NC=CN1C E46632 [0,2,0,0,0,0|2,0,0]=4 981 B8R1.11 CCN1C=CN=C1C E63017 [0,2,0,0,0,0|2,0,0]=4 982 B8R1.11 CN1C=CN=C1C#N M0676 [0,2,0,0,0,0|2,0,0]=4 983 B8R1.11 CN1C=CN=C1C=O M14037 [0,2,0,0,0,0|2,0,0]=4 984 B8R1.11 CN1C=CN=C1CCl C41129 [0,2,0,0,0,0|2,0,0]=4 985 B8R1.11 CN1C=CN=C1CCl C41132 [0,2,0,0,0,0|2,0,0]=4 986 B8R1.11 CN1C=CN=C1CN A13925 [0,2,0,0,0,0|2,0,0]=4 987 B8R1.11 CN1C=CN=C1CO M41198 [0,2,0,0,0,0|2,0,0]=4 988 B8R1.11 CN1C=NC=C1C#N M11288 [0,2,0,0,0,0|2,0,0]=4 989 B8R1.11 CN1C=NC=C1CN M1713 [0,2,0,0,0,0|2,0,0]=4 990 B8R1.11 CN1C=NC=C1CO H14300 [0,2,0,0,0,0|2,0,0]=4 991 B8R1.11 CN1C=NN=C1CO M40222 [0,2,0,0,0,0|1,0,1]=4 992 B8R1.11 CN1N=CC=C1CCl C41130 [0,2,0,0,0,0|2,0,0]=4 993 B8R1.11 CN1N=CC=C1CN M9954 [0,2,0,0,0,0|2,0,0]=4 994 B8R1.11 CSC1=C(C)OC=C1 M43319 [0,2,0,0,0,0|2,0,0]=4 995 B8R1.11 ClCC1=C(Cl)SC=C1 C37492 [0,2,0,0,0,0|2,0,0]=4 996 B8R1.11 N#CC1=C(Br)C=NN1 B9467 [0,2,0,0,0,0|1,0,0]=3 997 B8R1.11 N#CC1=C(Cl)C=NN1 C10926 [0,2,0,0,0,0|1,0,0]=3 998 B8R1.11 N#CC1=C(I)C=NN1 K40007 [0,2,0,0,0,0|1,0,0]=3 999 B8R1.11 N#CC1=C(N)NC=C1 A40950 [0,2,0,0,0,0|1,0,1]=4 1000 B8R1.11 N#CC1=C(N)NN=C1 A5317 [0,2,0,0,0,0|0,0,1]=3 1001 B8R1.11 N#CC1=C(N)ON=C1 A40053 [0,2,0,0,0,0|1,0,1]=4 1002 B8R1.11 N#CC1=CNN=C1I I25549 [0,2,0,0,0,0|0,0,1]=3 1003 B8R1.11 N#CC1=NNC=C1N A69190 [0,2,0,0,0,0|1,0,0]=3 1004 B8R1.11 O=CC1=C(Br)C=CN1 B14575 [0,2,0,0,0,0|2,0,0]=4 1005 B8R1.11 O=CC1=C(Cl)C=CN1 C14573 [0,2,0,0,0,0|2,0,0]=4 1006 B8R1.11 OCC1=C(Br)N=CS1 B38277 [0,2,0,0,0,0|2,0,0]=4 1007 B8R1.11 OCC1=C(Br)SC=C1 B41017 [0,2,0,0,0,0|2,0,0]=4 1008 B8R1.18 CC1=C(Br)N=C(Br)S1 D37493 [0,2,0,0,0,0|2,0,0]=4 1009 B8R1.18 CC1=C(Br)N=C(N)S1 B67359 [0,2,0,0,0,0|2,0,0]=4 1010 B8R1.18 CC1=C(Br)NC(Br)=N1 D40071 [0,2,0,0,0,0|2,0,0]=4 1011 B8R1.18 CC1=C(Br)SC(Br)=C1 D40697 [0,2,0,0,0,0|2,0,0]=4 1012 B8R1.18 CC1=C(C)NC(N)=N1 D41246 [0,2,0,0,0,0|2,0,0]=4 1013 B8R1.18 CC1=C(C)SC(Br)=N1 B37797 [0,2,0,0,0,0|2,0,0]=4 1014 B8R1.18 CC1=C(C)SC(N)=N1 D41205 [0,2,0,0,0,0|2,0,0]=4 1015 B8R1.18 CC1=C(C)SC(N)=N1 D41367 [0,2,0,0,0,0|2,0,0]=4 1016 B8R1.18 CC1=C(Cl)SC(Cl)=C1 D40698 [0,2,0,0,0,0|2,0,0]=4 1017 B8R1.18 CC1=CC(=O)OC1=O C60582 [0,2,0,0,0,0|2,0,0]=4 1018 B8R1.18 CC1=CC(Br)=NN1C B41126 [0,2,0,0,0,0|2,0,0]=4 1019 B8R1.18 CC1=CC(C)=NN1C T41425 [0,2,0,0,0,0|2,0,0]=4 1020 B8R1.18 CC1=CC(Cl)=NN1C C41128 [0,2,0,0,0,0|2,0,0]=4 1021 B8R1.18 CC1=CC(N)=NN1C D41245 [0,2,0,0,0,0|2,0,0]=4 1022 B8R1.18 CC1=CN(C)N=C1I K41134 [0,2,0,0,0,0|0,0,0]=2 1023 B8R1.18 CC1=NC(Br)=C(C)S1 B41110 [0,2,0,0,0,0|2,0,0]=4 1024 B8R1.18 CC1=NC(C)=C(C)O1 T43377 [0,2,0,0,0,0|2,0,0]=4 1025 B8R1.18 CC1=NN(C)C(Br)=C1 B27171 [0,2,0,0,0,0|2,0,0]=4 1026 B8R1.18 CC1=NN(C)C(Br)=C1 B2989 [0,2,0,0,0,0|2,0,0]=4 1027 B8R1.18 CC1=NN(C)C(N)=C1 D1041 [0,2,0,0,0,0|2,0,0]=4 1028 B8R1.18 CC1=NN(C)C(O)=C1 D9461 [0,2,0,0,0,0|2,0,0]=4 1029 B8R1.18 CC1=NN(C)C=C1Br B12747 [0,2,0,0,0,0|1,0,0]=3 1030 B8R1.18 CC1=NN(C)C=C1I K41135 [0,2,0,0,0,0|1,0,0]=3 1031 B8R1.18 CC1=NN(C)C=C1N A10473 [0,2,0,0,0,0|1,0,0]=3 1032 B8R1.18 CC1=NN(C)C=C1N D41244 [0,2,0,0,0,0|1,0,0]=3 1033 B8R1.18 CC1=NN(C)N=C1Br B39014 [0,2,0,0,0,0|1,0,0]=3 1034 B8R1.18 CN1C=C(Br)C(F)=N1 B59911 [0,2,0,0,0,0|1,0,0]=3 1035 B8R1.18 CN1C=C(Br)C(N)=N1 B40192 [0,2,0,0,0,0|1,0,0]=3 1036 B8R1.18 CN1C=C(N)C(Cl)=N1 C64471 [0,2,0,0,0,0|1,0,0]=3 1037 B8R1.50 BrC1=NNC(Br)=C1Br T39895 [0,2,0,0,0,0|1,0,0]=3 1038 B8R1.50 CC1=C(Br)C(=O)NN1 B40127 [0,2,0,0,0,0|1,0,1]=4 1039 B8R1.50 CC1=C(Br)C=NN1C B41125 [0,2,0,0,0,0|1,0,0]=3 1040 B8R1.50 CC1=C(Br)N(C)N=C1 B19368 [0,2,0,0,0,0|0,0,0]=2 1041 B8R1.50 CC1=C(Br)N(C)N=N1 B37625 [0,2,0,0,0,0|1,0,0]=3 1042 B8R1.50 CC1=C(Br)N=NN1C B40194 [0,2,0,0,0,0|1,0,1]=4 1043 B8R1.50 CC1=C(C)C(N)=NN1 D26412 [0,2,0,0,0,0|0,0,0]=2 1044 B8R1.50 CC1=C(C)C(N)=NO1 D1375 [0,2,0,0,0,0|1,0,0]=3 1045 B8R1.50 CC1=C(I)C(I)=NN1 D40072 [0,2,0,0,0,0|1,0,0]=3 1046 B8R1.50 CC1=C(I)N(C)N=N1 K40198 [0,2,0,0,0,0|1,0,0]=3 1047 B8R1.50 CC1=C(N)C=NN1C D41401 [0,2,0,0,0,0|1,0,0]=3 1048 B8R1.50 CC1=NC=C(Br)N1C B41127 [0,2,0,0,0,0|2,0,0]=4 1049 B8R1.50 CC1=NNC(=O)[C@H]1Br B40126 [0,2,0,0,0,0|1,0,1]=4 1050 B8R1.50 CC1=NNC(=S)N1C D40225 [0,2,0,0,0,0|1,0,0]=3 1051 B8R1.50 CC1=NNC(C)=C1Br B39180 [0,2,0,0,0,0|1,0,0]=3 1052 B8R1.50 CC1=NNC(C)=C1I D41133 [0,2,0,0,0,0|1,0,0]=3 1053 B8R1.50 CC1=NNC(Cl)=C1N C12419 [0,2,0,0,0,0|1,0,0]=3 1054 B8R1.50 CC1=NOC(C)=C1Br B7571 [0,2,0,0,0,0|2,0,0]=4 1055 B8R1.50 CC1=NOC(C)=C1I D39177 [0,2,0,0,0,0|2,0,0]=4 1056 B8R1.50 CC1=NOC(N)=C1Br B67364 [0,2,0,0,0,0|2,0,0]=4 1057 B8R1.50 CC1=NOC(N)=C1Cl C64997 [0,2,0,0,0,0|2,0,0]=4 1058 B8R1.50 CN1C(I)=CN=C1I D2352 [0,2,0,0,0,0|2,0,0]=4 1059 B8R1.50 CN1N=CC(Cl)=C1N C40195 [0,2,0,0,0,0|1,0,0]=3 1060 B8R1.50 CN1N=CC(N)=C1N M39945 [0,2,0,0,0,0|1,0,0]=3 1061 B8R1.50 CN1N=NC(Br)=C1Br D39823 [0,2,0,0,0,0|2,0,0]=4 1062 B6R1.1 C1=CC=NC=C1 M38695 [0,0,1,1,0,0|1,0,1]=4 1063 B6R1.1 C1=CC=NC=C1 P60750 [0,0,1,1,0,0|1,0,1]=4 1064 B6R1.1 C1=CC=NC=C1 P60758 [0,0,1,1,0,0|1,0,1]=4 1065 B6R1.1 C1=CC=NC=C1 P69056 [0,0,1,1,0,0|1,0,1]=4 1066 B6R1.1 C1=CCNCC1 T0540 [0,0,1,1,0,0|1,0,1]=4 1067 B6R1.1 C1=CN=CC=N1 P39150 [0,0,1,1,0,0|2,0,0]=4 1068 B6R1.1 C1=CN=NC=C1 P40319 [0,0,1,1,0,0|0,0,2]=4 1069 B6R1.1 C1=CN=NC=C1 P67868 [0,0,1,1,0,0|0,0,2]=4 1070 B4R1.2 C[C@@H]1CN1 M6947 [0,0,0,0,2,0|0,0,2]=4 1071 B4R1.2 C[C@H]1CN1 M6944 [0,0,0,0,2,0|0,0,2]=4