0 B7R1.1 BrCC1=CCCC1 B7551 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.1 BrCC1=CSC=C1 B60823 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.1 BrCC1=NC=CN1 B40117 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.1 C#CC1=CC=CS1 E42371 [0,0,0,0,0,0|1,1,1]=3 4 B7R1.1 C#CC1=CSC=C1 E42372 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.1 C=CC1=CC=CS1 V38168 [0,0,0,0,0,0|1,1,1]=3 6 B7R1.1 C=CC1=NC=CS1 V41009 [0,0,0,0,0,0|2,1,1]=4 7 B7R1.1 CCC1=NC=CN1 E68629 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 CCC1=NN=CO1 E37555 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.1 CCN1C=CN=N1 E40219 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.1 CCN1C=NC=N1 E40218 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.1 CNC1=NC=CS1 M67793 [0,0,0,0,0,0|3,1,0]=4 12 B7R1.1 COC1=CC=CS1 M41123 [0,0,0,0,0,0|2,1,0]=3 13 B7R1.1 COC1=CSC=C1 M41124 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.1 COC1=NC=CS1 M2608 [0,0,0,0,0,0|3,1,0]=4 15 B7R1.1 CSC1=NC=CO1 M40164 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.1 ClCC1=CN=CS1 C32421 [0,0,0,0,0,0|2,1,0]=3 17 B7R1.1 ClCC1=CNC=N1 C2088 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.1 ClCC1=CSC=N1 C2334 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.1 ClCC1=NC=CO1 C40107 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.1 ClCC1=NOC=N1 C24041 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.1 N#CC1=CC=CN1 P0691 [0,0,0,0,0,0|2,0,1]=3 22 B7R1.1 N#CC1=CC=CO1 F40652 [0,0,0,0,0,0|1,0,1]=2 23 B7R1.1 N#CC1=CC=CS1 T40685 [0,0,0,0,0,0|1,1,1]=3 24 B7R1.1 N#CC1=CC=NO1 X67351 [0,0,0,0,0,0|2,0,1]=3 25 B7R1.1 N#CC1=CN=CS1 T39999 [0,0,0,0,0,0|2,1,1]=4 26 B7R1.1 N#CC1=CNC=C1 P40700 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.1 N#CC1=CNC=N1 K24325 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.1 N#CC1=COC=N1 O7925 [0,0,0,0,0,0|3,0,1]=4 29 B7R1.1 N#CC1=CSC=C1 C12829 [0,0,0,0,0,0|3,0,1]=4 30 B7R1.1 N#CC1=CSC=N1 C38386 [0,0,0,0,0,0|3,0,1]=4 31 B7R1.1 N#CC1=NC=CN1 I1797 [0,0,0,0,0,0|3,0,1]=4 32 B7R1.1 N#CC1=NC=CN1 I7356 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.1 N#CC1=NC=CS1 C15601 [0,0,0,0,0,0|2,1,1]=4 34 B7R1.1 N#CC1=NNC=C1 P9717 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.1 N#CC1=NOC=C1 C14745 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.1 NCC1=CC=CN1 P41359 [0,0,0,0,0,0|2,0,0]=2 37 B7R1.1 NCC1=CC=CS1 A12813 [0,0,0,0,0,0|1,1,0]=2 38 B7R1.1 NCC1=CC=NO1 K40323 [0,0,0,0,0,0|2,0,0]=2 39 B7R1.1 NCC1=CN=CN1 A69377 [0,0,0,0,0,0|3,0,0]=3 40 B7R1.1 NCC1=CN=CO1 X11178 [0,0,0,0,0,0|2,0,0]=2 41 B7R1.1 NCC1=CN=CO1 X17340 [0,0,0,0,0,0|2,0,0]=2 42 B7R1.1 NCC1=CN=CS1 T11225 [0,0,0,0,0,0|2,1,0]=3 43 B7R1.1 NCC1=CN=CS1 T37607 [0,0,0,0,0,0|2,1,0]=3 44 B7R1.1 NCC1=CN=CS1 T40190 [0,0,0,0,0,0|2,1,0]=3 45 B7R1.1 NCC1=CNC=C1 P26218 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.1 NCC1=CNC=N1 K40332 [0,0,0,0,0,0|3,0,0]=3 47 B7R1.1 NCC1=CNN=C1 A10475 [0,0,0,0,0,0|4,0,0]=4 48 B7R1.1 NCC1=CNN=C1 P17334 [0,0,0,0,0,0|4,0,0]=4 49 B7R1.1 NCC1=CNN=C1 P20267 [0,0,0,0,0,0|4,0,0]=4 50 B7R1.1 NCC1=COC=N1 A40322 [0,0,0,0,0,0|3,0,0]=3 51 B7R1.1 NCC1=COC=N1 O7924 [0,0,0,0,0,0|3,0,0]=3 52 B7R1.1 NCC1=COC=N1 X11296 [0,0,0,0,0,0|3,0,0]=3 53 B7R1.1 NCC1=CON=C1 A14706 [0,0,0,0,0,0|4,0,0]=4 54 B7R1.1 NCC1=CON=C1 I29534 [0,0,0,0,0,0|4,0,0]=4 55 B7R1.1 NCC1=CSC=C1 T41357 [0,0,0,0,0,0|3,0,0]=3 56 B7R1.1 NCC1=CSC=N1 T13924 [0,0,0,0,0,0|3,0,0]=3 57 B7R1.1 NCC1=CSC=N1 T29521 [0,0,0,0,0,0|3,0,0]=3 58 B7R1.1 NCC1=NC=CN1 A14237 [0,0,0,0,0,0|3,0,0]=3 59 B7R1.1 NCC1=NC=CN1 K40331 [0,0,0,0,0,0|3,0,0]=3 60 B7R1.1 NCC1=NC=CS1 A11223 [0,0,0,0,0,0|2,1,0]=3 61 B7R1.1 NCC1=NC=CS1 T11224 [0,0,0,0,0,0|2,1,0]=3 62 B7R1.1 NCC1=NC=CS1 T24256 [0,0,0,0,0,0|2,1,0]=3 63 B7R1.1 NCC1=NNC=C1 P9792 [0,0,0,0,0,0|3,0,0]=3 64 B7R1.1 NCC1=NOC=C1 I29536 [0,0,0,0,0,0|3,0,0]=3 65 B7R1.1 NCC1=NOC=C1 I7943 [0,0,0,0,0,0|3,0,0]=3 66 B7R1.1 NCC1=NSC=C1 I15218 [0,0,0,0,0,0|3,0,0]=3 67 B7R1.1 NNC1=NC=CS1 H39914 [0,0,0,0,0,0|3,1,0]=4 68 B7R1.1 O=CC1=CC=CN1 P64891 [0,0,0,0,0,0|1,1,1]=3 69 B7R1.1 O=CC1=CC=CS1 T68614 [0,0,0,0,0,0|0,2,1]=3 70 B7R1.1 O=CC1=CC=NO1 K40060 [0,0,0,0,0,0|1,1,1]=3 71 B7R1.1 O=CC1=CN=CO1 X11928 [0,0,0,0,0,0|1,1,1]=3 72 B7R1.1 O=CC1=CN=CS1 T2161 [0,0,0,0,0,0|1,2,1]=4 73 B7R1.1 O=CC1=CNC=C1 P25022 [0,0,0,0,0,0|2,1,1]=4 74 B7R1.1 O=CC1=COC=C1 F65465 [0,0,0,0,0,0|2,1,1]=4 75 B7R1.1 O=CC1=CSC=C1 T12697 [0,0,0,0,0,0|2,1,1]=4 76 B7R1.1 O=CC1=CSC=N1 T2159 [0,0,0,0,0,0|2,1,1]=4 77 B7R1.1 O=CC1=NC=CN1 F2135 [0,0,0,0,0,0|2,1,1]=4 78 B7R1.1 O=CC1=NC=CS1 T2877 [0,0,0,0,0,0|1,2,1]=4 79 B7R1.1 O=CC1=NNC=C1 P23454 [0,0,0,0,0,0|2,1,1]=4 80 B7R1.1 O=CC1=NOC=C1 I0114 [0,0,0,0,0,0|2,1,1]=4 81 B7R1.1 OCC1=CC=CS1 T12815 [0,0,0,0,0,0|0,2,0]=2 82 B7R1.1 OCC1=CC=NO1 K40159 [0,0,0,0,0,0|1,1,0]=2 83 B7R1.1 OCC1=CN=CN1 I14077 [0,0,0,0,0,0|2,1,0]=3 84 B7R1.1 OCC1=CN=CO1 X14033 [0,0,0,0,0,0|1,1,0]=2 85 B7R1.1 OCC1=CN=CS1 T2166 [0,0,0,0,0,0|1,2,0]=3 86 B7R1.1 OCC1=CNC=N1 H2067 [0,0,0,0,0,0|2,1,0]=3 87 B7R1.1 OCC1=CNN=C1 H1729 [0,0,0,0,0,0|3,1,0]=4 88 B7R1.1 OCC1=COC=C1 F41115 [0,0,0,0,0,0|2,1,0]=3 89 B7R1.1 OCC1=COC=N1 O7923 [0,0,0,0,0,0|2,1,0]=3 90 B7R1.1 OCC1=CON=C1 H14705 [0,0,0,0,0,0|3,1,0]=4 91 B7R1.1 OCC1=CSC=C1 T12827 [0,0,0,0,0,0|2,1,0]=3 92 B7R1.1 OCC1=CSC=N1 T2165 [0,0,0,0,0,0|2,1,0]=3 93 B7R1.1 OCC1=NC=CN1 I38716 [0,0,0,0,0,0|2,1,0]=3 94 B7R1.1 OCC1=NC=CO1 X14019 [0,0,0,0,0,0|1,1,0]=2 95 B7R1.1 OCC1=NC=CS1 H3028 [0,0,0,0,0,0|1,2,0]=3 96 B7R1.1 OCC1=NC=NN1 T39912 [0,0,0,0,0,0|3,1,0]=4 97 B7R1.1 OCC1=NNC=C1 H7696 [0,0,0,0,0,0|2,1,0]=3 98 B7R1.1 OCC1=NOC=C1 I11321 [0,0,0,0,0,0|2,1,0]=3 99 B7R1.1 OCC1CC=CC1 C11867 [0,0,0,0,0,0|1,1,2]=4 100 B7R1.1 OCN1C=CC=N1 P9800 [0,0,0,0,0,0|2,1,0]=3 101 B7R1.1 OCN1C=NC=N1 T39855 [0,0,0,0,0,0|3,1,0]=4 102 B6R1.2 BrC1=CC=CS1 B69329 [1,0,0,0,0,0|1,1,0]=3 103 B6R1.2 BrC1=CC=NN1 B10788 [1,0,0,0,0,0|3,0,0]=4 104 B6R1.2 BrC1=CC=NN1 B37723 [1,0,0,0,0,0|3,0,0]=4 105 B6R1.2 BrC1=CN=CS1 B2349 [1,0,0,0,0,0|2,1,0]=4 106 B6R1.2 BrC1=CNC=N1 B2477 [1,0,0,0,0,0|3,0,0]=4 107 B6R1.2 BrC1=COC=C1 B40068 [1,0,0,0,0,0|3,0,0]=4 108 B6R1.2 BrC1=CSC=C1 B39148 [1,0,0,0,0,0|3,0,0]=4 109 B6R1.2 BrC1=CSC=N1 B2171 [1,0,0,0,0,0|3,0,0]=4 110 B6R1.2 BrC1=NC=CN1 B2807 [1,0,0,0,0,0|3,0,0]=4 111 B6R1.2 BrC1=NC=CS1 B2607 [1,0,0,0,0,0|2,1,0]=4 112 B6R1.2 BrC1=NOC=C1 B37012 [1,0,0,0,0,0|3,0,0]=4 113 B6R1.2 BrC1=NSC=C1 B39811 [1,0,0,0,0,0|3,0,0]=4 114 B6R1.2 CC1=CC=CN1 M37933 [1,0,0,0,0,0|1,0,0]=2 115 B6R1.2 CC1=CC=CS1 M39179 [1,0,0,0,0,0|0,1,0]=2 116 B6R1.2 CC1=CC=NO1 M24354 [1,0,0,0,0,0|1,0,0]=2 117 B6R1.2 CC1=CN=CS1 M40166 [1,0,0,0,0,0|1,1,0]=3 118 B6R1.2 CC1=CNC=C1 M14657 [1,0,0,0,0,0|2,0,0]=3 119 B6R1.2 CC1=COC=N1 M13405 [1,0,0,0,0,0|2,0,0]=3 120 B6R1.2 CC1=CSC=N1 M24933 [1,0,0,0,0,0|2,0,0]=3 121 B6R1.2 CC1=NC=CS1 M40165 [1,0,0,0,0,0|1,1,0]=3 122 B6R1.2 CC1=NN=CN1 M15832 [1,0,0,0,0,0|3,0,0]=4 123 B6R1.2 CC1=NN=CO1 M32022 [1,0,0,0,0,0|2,0,0]=3 124 B6R1.2 CC1=NNC=C1 M36663 [1,0,0,0,0,0|2,0,0]=3 125 B6R1.2 CC1=NOC=C1 M40157 [1,0,0,0,0,0|2,0,0]=3 126 B6R1.2 CC1=NON=C1 M62158 [1,0,0,0,0,0|3,0,0]=4 127 B6R1.2 CN1C=CC=N1 M12066 [1,0,0,0,0,0|2,0,0]=3 128 B6R1.2 CN1C=CN=C1 M68061 [1,0,0,0,0,0|3,0,0]=4 129 B6R1.2 CN1C=CN=N1 M38094 [1,0,0,0,0,0|3,0,0]=4 130 B6R1.2 CN1C=NC=N1 M64922 [1,0,0,0,0,0|3,0,0]=4 131 B6R1.2 ClC1=CC=NN1 C10789 [1,0,0,0,0,0|3,0,0]=4 132 B6R1.2 ClC1=CC=NN1 C39819 [1,0,0,0,0,0|3,0,0]=4 133 B6R1.2 ClC1=CN=CN1 C38031 [1,0,0,0,0,0|3,0,0]=4 134 B6R1.2 ClC1=CSC=C1 C40018 [1,0,0,0,0,0|3,0,0]=4 135 B6R1.2 ClC1=CSC=N1 C9773 [1,0,0,0,0,0|3,0,0]=4 136 B6R1.2 ClC1=NC=CN1 C38255 [1,0,0,0,0,0|3,0,0]=4 137 B6R1.2 ClC1=NC=CS1 C2694 [1,0,0,0,0,0|2,1,0]=4 138 B6R1.2 FC1=CC=NN1 F13459 [1,0,0,0,0,0|3,0,0]=4 139 B6R1.2 IC1=CC=CS1 K39149 [1,0,0,0,0,0|1,1,0]=3 140 B6R1.2 IC1=CC=NN1 K39821 [1,0,0,0,0,0|3,0,0]=4 141 B6R1.2 IC1=CN=CN1 I2351 [1,0,0,0,0,0|3,0,0]=4 142 B6R1.2 IC1=CSC=C1 K40019 [1,0,0,0,0,0|3,0,0]=4 143 B6R1.2 IC1=NC=CO1 I11270 [1,0,0,0,0,0|2,0,0]=3 144 B6R1.2 IC1=NNC=C1 I9931 [1,0,0,0,0,0|3,0,0]=4 145 B6R1.2 NC1=CC=NN1 P61114 [1,0,0,0,0,0|3,0,0]=4 146 B6R1.2 NC1=CC=NO1 X67704 [1,0,0,0,0,0|2,0,0]=3 147 B6R1.2 NC1=CC=NS1 T39909 [1,0,0,0,0,0|2,1,0]=4 148 B6R1.2 NC1=CN=CN1 I37101 [1,0,0,0,0,0|3,0,0]=4 149 B6R1.2 NC1=CN=CS1 T39907 [1,0,0,0,0,0|2,1,0]=4 150 B6R1.2 NC1=CNC=N1 I37475 [1,0,0,0,0,0|3,0,0]=4 151 B6R1.2 NC1=COC=N1 X36633 [1,0,0,0,0,0|3,0,0]=4 152 B6R1.2 NC1=CSC=C1 A40167 [1,0,0,0,0,0|3,0,0]=4 153 B6R1.2 NC1=CSC=C1 T10330 [1,0,0,0,0,0|3,0,0]=4 154 B6R1.2 NC1=CSC=C1 T64858 [1,0,0,0,0,0|3,0,0]=4 155 B6R1.2 NC1=CSC=N1 T39908 [1,0,0,0,0,0|3,0,0]=4 156 B6R1.2 NC1=NC=CN1 A28762 [1,0,0,0,0,0|3,0,0]=4 157 B6R1.2 NC1=NC=CN1 A39803 [1,0,0,0,0,0|3,0,0]=4 158 B6R1.2 NC1=NC=CO1 O5740 [1,0,0,0,0,0|2,0,0]=3 159 B6R1.2 NC1=NC=CS1 T39140 [1,0,0,0,0,0|2,1,0]=4 160 B6R1.2 NC1=NNC=C1 A1108 [1,0,0,0,0,0|3,0,0]=4 161 B6R1.2 NC1=NOC=C1 I0613 [1,0,0,0,0,0|3,0,0]=4 162 B6R1.2 NN1C=CC=C1 A7731 [1,0,0,0,0,0|3,0,0]=4 163 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,0,0,0|1,1,1]=4 164 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,0,0,0|0,1,1]=3 165 B6R1.2 O=C1C=CNN1 P32282 [1,0,0,0,0,0|2,1,0]=4 166 B6R1.2 O=C1C=CSN1 T60536 [1,0,0,0,0,0|2,1,0]=4 167 B6R1.2 O=C1CC=CC1 C19712 [1,0,0,0,0,0|1,1,1]=4 168 B6R1.2 O=C1NC=CN1 K39835 [1,0,0,0,0,0|2,1,0]=4 169 B6R1.2 O=C1NC=CO1 X39828 [1,0,0,0,0,0|1,1,0]=3 170 B6R1.2 OC1=NC=CS1 H39829 [1,0,0,0,0,0|1,2,0]=4 171 B6R1.2 OC1=NNC=C1 P24482 [1,0,0,0,0,0|2,1,0]=4 172 B6R1.2 ON1C=CC=N1 P25523 [1,0,0,0,0,0|2,1,0]=4 173 B8R1.1 CC1=CC(CN)=NO1 M15781 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.1 CC1=CC=C(C#N)N1 M32172 [0,1,0,0,0,0|2,0,1]=4 175 B8R1.1 CC1=CC=C(C#N)S1 M12843 [0,1,0,0,0,0|1,1,1]=4 176 B8R1.1 CC1=CC=C(C=O)N1 M43134 [0,1,0,0,0,0|1,1,1]=4 177 B8R1.1 CC1=CC=C(C=O)S1 M39272 [0,1,0,0,0,0|0,2,1]=4 178 B8R1.1 CC1=CC=C(CN)O1 M37131 [0,1,0,0,0,0|1,0,0]=2 179 B8R1.1 CC1=CC=C(CO)O1 M43304 [0,1,0,0,0,0|0,1,0]=2 180 B8R1.1 CC1=CN=C(CO)S1 M41173 [0,1,0,0,0,0|1,2,0]=4 181 B8R1.1 CC1=COC(C=O)=C1 M13538 [0,1,0,0,0,0|0,1,1]=3 182 B8R1.1 CC1=COC(C=O)=N1 M12937 [0,1,0,0,0,0|1,1,1]=4 183 B8R1.1 CC1=CSC(C=O)=C1 M42959 [0,1,0,0,0,0|0,2,1]=4 184 B8R1.1 CC1=CSC(CN)=N1 M64512 [0,1,0,0,0,0|2,1,0]=4 185 B8R1.1 CC1=NC(CN)=CO1 M41196 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.1 CC1=NC(CN)=CO1 M41310 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.1 CC1=NC=C(CBr)S1 B41111 [0,1,0,0,0,0|2,1,0]=4 188 B8R1.1 CC1=NC=C(CN)O1 M41197 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.1 CC1=NC=C(CO)O1 M37561 [0,1,0,0,0,0|1,1,0]=3 190 B8R1.1 CC1=NC=C(CO)S1 M1967 [0,1,0,0,0,0|1,2,0]=4 191 B8R1.1 CC1=NOC(CN)=C1 M41364 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.1 CCC1=CC(N)=NO1 E41190 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.1 CCC1=CC=C(C)S1 E43745 [0,1,0,0,0,0|1,1,0]=3 194 B8R1.1 CCC1=CN=C(C)N1 E41428 [0,1,0,0,0,0|3,0,0]=4 195 B8R1.1 CCC1=CN=C(N)S1 E41203 [0,1,0,0,0,0|2,1,0]=4 196 B8R1.1 CCC1=CN=C(N)S1 E69753 [0,1,0,0,0,0|2,1,0]=4 197 B8R1.1 CCC1=NC(C)=CS1 E43395 [0,1,0,0,0,0|2,1,0]=4 198 B8R1.1 CCC1=NN=C(N)O1 A12274 [0,1,0,0,0,0|3,0,0]=4 199 B8R1.1 CCC1=NNC(N)=C1 A9777 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.1 CCC1=NOC(N)=C1 E41189 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.1 CCN1C=C(Br)C=N1 B9823 [0,1,0,0,0,0|3,0,0]=4 202 B8R1.1 CCN1C=C(N)C=N1 A12746 [0,1,0,0,0,0|3,0,0]=4 203 B8R1.1 CN1C=CC(CCl)=N1 C25609 [0,1,0,0,0,0|3,0,0]=4 204 B8R1.1 CN1C=CC(CN)=N1 M9952 [0,1,0,0,0,0|3,0,0]=4 205 B8R1.1 CN1C=CC(CO)=N1 M9953 [0,1,0,0,0,0|2,1,0]=4 206 B8R1.1 CN1C=NC(CCl)=C1 C21803 [0,1,0,0,0,0|3,0,0]=4 207 B8R1.1 CN1C=NC(CN)=C1 A11226 [0,1,0,0,0,0|3,0,0]=4 208 B8R1.1 CN1C=NC(CN)=C1 A11227 [0,1,0,0,0,0|3,0,0]=4 209 B8R1.1 CN1C=NC(CN)=C1 A29740 [0,1,0,0,0,0|3,0,0]=4 210 B8R1.1 CN1C=NC(CO)=C1 M12982 [0,1,0,0,0,0|2,1,0]=4 211 B8R1.1 COC1=CC(N)=NO1 M40185 [0,1,0,0,0,0|3,0,0]=4 212 B8R1.1 ClCC1=CC(Br)=NO1 B2105 [0,1,0,0,0,0|2,0,0]=3 213 B8R1.1 ClCC1=CC=C(Cl)S1 C40699 [0,1,0,0,0,0|1,1,0]=3 214 B8R1.1 ClCC1=CN=C(Cl)S1 C2059 [0,1,0,0,0,0|2,1,0]=4 215 B8R1.1 ClCC1=CSC(Cl)=N1 C2721 [0,1,0,0,0,0|3,0,0]=4 216 B8R1.1 N#CC1=CC(Br)=CN1 B62203 [0,1,0,0,0,0|2,0,1]=4 217 B8R1.1 N#CC1=CC(Br)=CS1 B12760 [0,1,0,0,0,0|1,1,1]=4 218 B8R1.1 N#CC1=CC(Cl)=CN1 C40566 [0,1,0,0,0,0|2,0,1]=4 219 B8R1.1 N#CC1=CC(Cl)=CS1 C14085 [0,1,0,0,0,0|1,1,1]=4 220 B8R1.1 N#CC1=CC(N)=CS1 A63979 [0,1,0,0,0,0|1,1,1]=4 221 B8R1.1 N#CC1=CC=C(Br)O1 B40544 [0,1,0,0,0,0|1,0,1]=3 222 B8R1.1 N#CC1=CC=C(Br)S1 B7699 [0,1,0,0,0,0|1,1,1]=4 223 B8R1.1 N#CC1=CC=C(Cl)S1 C7716 [0,1,0,0,0,0|1,1,1]=4 224 B8R1.1 N#CC1=CC=C(F)S1 C7719 [0,1,0,0,0,0|1,1,1]=4 225 B8R1.1 N#CC1=CC=C(I)S1 K40542 [0,1,0,0,0,0|1,1,1]=4 226 B8R1.1 N#CC1=CC=C(N)S1 A40782 [0,1,0,0,0,0|1,1,1]=4 227 B8R1.1 NC1=NC(CCl)=CS1 A2564 [0,1,0,0,0,0|3,0,0]=4 228 B8R1.1 NC1=NC(CO)=CS1 A40186 [0,1,0,0,0,0|2,1,0]=4 229 B8R1.1 NC1=NC=C(CO)S1 A40187 [0,1,0,0,0,0|1,2,0]=4 230 B8R1.1 NC1=NNC(CO)=C1 A14738 [0,1,0,0,0,0|2,1,0]=4 231 B8R1.1 NCC1=CC(Br)=CS1 B41112 [0,1,0,0,0,0|1,1,0]=3 232 B8R1.1 NCC1=CC=C(Br)S1 A12757 [0,1,0,0,0,0|1,1,0]=3 233 B8R1.1 NCC1=CC=C(Cl)S1 A12836 [0,1,0,0,0,0|1,1,0]=3 234 B8R1.1 NCC1=CC=C(Cl)S1 C27089 [0,1,0,0,0,0|1,1,0]=3 235 B8R1.1 NCC1=CC=C(F)S1 F8124 [0,1,0,0,0,0|1,1,0]=3 236 B8R1.1 NCC1=CN=C(Cl)S1 C40120 [0,1,0,0,0,0|2,1,0]=4 237 B8R1.1 NCC1=CSC(Br)=C1 B16484 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.1 NCC1=CSC(Cl)=C1 C7665 [0,1,0,0,0,0|3,0,0]=4 239 B8R1.1 NCC1=NC=C(Br)S1 B10574 [0,1,0,0,0,0|2,1,0]=4 240 B8R1.1 NCC1=NC=C(Br)S1 B13057 [0,1,0,0,0,0|2,1,0]=4 241 B8R1.1 NCC1=NC=C(Cl)S1 C13932 [0,1,0,0,0,0|2,1,0]=4 242 B8R1.1 O=C1C=C(CBr)CO1 B31582 [0,1,0,0,0,0|3,0,0]=4 243 B8R1.1 O=C1C=C(CI)CO1 I6261 [0,1,0,0,0,0|3,0,0]=4 244 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,1,0,0,0,0|2,1,0]=4 245 B8R1.1 O=CC1=CC(Br)=CN1 B38751 [0,1,0,0,0,0|1,1,1]=4 246 B8R1.1 O=CC1=CC(Br)=CO1 B13537 [0,1,0,0,0,0|0,1,1]=3 247 B8R1.1 O=CC1=CC(Br)=CS1 B12758 [0,1,0,0,0,0|0,2,1]=4 248 B8R1.1 O=CC1=CC(Cl)=CN1 C14574 [0,1,0,0,0,0|1,1,1]=4 249 B8R1.1 O=CC1=CC(Cl)=CS1 C12489 [0,1,0,0,0,0|0,2,1]=4 250 B8R1.1 O=CC1=CC(I)=CN1 K40861 [0,1,0,0,0,0|1,1,1]=4 251 B8R1.1 O=CC1=CC(I)=CS1 K40696 [0,1,0,0,0,0|0,2,1]=4 252 B8R1.1 O=CC1=CC=C(Br)N1 B67724 [0,1,0,0,0,0|1,1,1]=4 253 B8R1.1 O=CC1=CC=C(Br)O1 B67849 [0,1,0,0,0,0|0,1,1]=3 254 B8R1.1 O=CC1=CC=C(Br)S1 B10476 [0,1,0,0,0,0|0,2,1]=4 255 B8R1.1 O=CC1=CC=C(Cl)O1 C38278 [0,1,0,0,0,0|0,1,1]=3 256 B8R1.1 O=CC1=CC=C(Cl)S1 C7717 [0,1,0,0,0,0|0,2,1]=4 257 B8R1.1 OCC1=CC(Br)=CS1 B12759 [0,1,0,0,0,0|0,2,0]=3 258 B8R1.1 OCC1=CC(Br)=NO1 B2177 [0,1,0,0,0,0|1,1,0]=3 259 B8R1.1 OCC1=CC(Cl)=CS1 C7722 [0,1,0,0,0,0|0,2,0]=3 260 B8R1.1 OCC1=CC=C(Br)S1 B12756 [0,1,0,0,0,0|0,2,0]=3 261 B8R1.1 OCC1=CC=C(Br)S1 B41016 [0,1,0,0,0,0|0,2,0]=3 262 B8R1.1 OCC1=CC=C(Cl)S1 C1567 [0,1,0,0,0,0|0,2,0]=3 263 B8R1.1 OCC1=CC=C(F)S1 F8123 [0,1,0,0,0,0|0,2,0]=3 264 B8R1.1 OCC1=CN=C(Br)S1 B2127 [0,1,0,0,0,0|1,2,0]=4 265 B8R1.1 OCC1=CN=C(Cl)S1 C2061 [0,1,0,0,0,0|1,2,0]=4 266 B8R1.1 OCC1=COC(Br)=N1 B3572 [0,1,0,0,0,0|2,1,0]=4 267 B8R1.1 OCC1=CSC(Br)=N1 B2126 [0,1,0,0,0,0|2,1,0]=4 268 B8R1.1 OCC1=CSC(Cl)=C1 C7721 [0,1,0,0,0,0|2,1,0]=4 269 B8R1.1 OCC1=CSC(Cl)=N1 C2782 [0,1,0,0,0,0|2,1,0]=4 270 B8R1.1 OCC1=NC(Br)=CN1 B32450 [0,1,0,0,0,0|2,1,0]=4 271 B8R1.1 OCC1=NC(Br)=CS1 B10817 [0,1,0,0,0,0|1,2,0]=4 272 B8R1.1 OCC1=NC=C(Br)S1 B10575 [0,1,0,0,0,0|1,2,0]=4 273 B8R1.1 OCC1=NC=C(Cl)S1 C13054 [0,1,0,0,0,0|1,2,0]=4 274 B8R1.7 CC(=O)C1=CC=CN1 P68619 [0,1,0,0,0,0|1,1,1]=4 275 B8R1.7 CC(=O)C1=CC=CS1 A69304 [0,1,0,0,0,0|0,2,1]=4 276 B8R1.7 CC(=O)C1=CC=NO1 K40990 [0,1,0,0,0,0|1,1,1]=4 277 B8R1.7 CC(C)C1=CC=CO1 P43710 [0,1,0,0,0,0|1,0,0]=2 278 B8R1.7 CC(C)C1=NC=CN1 P67407 [0,1,0,0,0,0|3,0,0]=4 279 B8R1.7 CC(C)C1=NNC=C1 P9834 [0,1,0,0,0,0|3,0,0]=4 280 B8R1.7 CC(C)N1C=CC=N1 P41426 [0,1,0,0,0,0|3,0,0]=4 281 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [0,1,0,0,0,0|1,1,0]=3 282 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [0,1,0,0,0,0|0,1,0]=2 283 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [0,1,0,0,0,0|1,1,0]=3 284 B8R1.7 C[C@H](N)C1=CN=CN1 K62106 [0,1,0,0,0,0|3,0,0]=4 285 B8R1.7 C[C@H](N)C1=CNC=N1 K41398 [0,1,0,0,0,0|3,0,0]=4 286 B8R1.7 C[C@H](N)C1=NC=CS1 T41204 [0,1,0,0,0,0|2,1,0]=4 287 B8R1.7 C[C@H](N)C1=NC=CS1 T5352 [0,1,0,0,0,0|2,1,0]=4 288 B8R1.7 NC(=O)C1=NC=CO1 X26086 [0,1,0,0,0,0|1,1,1]=4 289 B8R1.7 NC(=S)C1=CC=CS1 T41010 [0,1,0,0,0,0|0,1,2]=4 290 B8R1.7 O=C(Cl)C1=CC=CS1 T10056 [0,1,0,0,0,0|0,2,1]=4 291 B8R1.7 O=C(O)C1=CC=CN1 P24658 [0,1,0,0,0,0|1,1,1]=4 292 B8R1.7 O=C(O)C1=CC=CO1 F38499 [0,1,0,0,0,0|0,1,1]=3 293 B8R1.7 O=C(O)C1=CC=CS1 T69312 [0,1,0,0,0,0|0,2,1]=4 294 B8R1.7 O=C(O)C1=CC=NO1 K40064 [0,1,0,0,0,0|1,1,1]=4 295 B8R1.7 O=C(O)C1=CN=CO1 O9363 [0,1,0,0,0,0|1,1,1]=4 296 B8R1.7 O=C([O-])C1=CC=CS1 C2751 [0,1,0,0,0,0|0,2,1]=4 297 B8R1.7 O=C([O-])C1=CC=CS1 C41403 [0,1,0,0,0,0|0,2,1]=4 298 B8R1.7 O=C([O-])C1=NC=CO1 S40296 [0,1,0,0,0,0|1,1,1]=4 299 B8R1.7 OB(O)C1=CC=CO1 F3580 [0,1,0,0,0,0|1,1,0]=3 300 B8R1.8 CCCC1=CC=CS1 P43744 [0,1,0,0,0,0|1,1,0]=3 301 B8R1.8 CCCC1=NC=CN1 P68616 [0,1,0,0,0,0|3,0,0]=4 302 B8R1.8 CCCC1=NC=CS1 P43394 [0,1,0,0,0,0|2,1,0]=4 303 B8R1.8 CCNC1=NC=CS1 E41366 [0,1,0,0,0,0|2,1,0]=4 304 B8R1.8 CCOC1=NC=CS1 E41172 [0,1,0,0,0,0|2,1,0]=4 305 B8R1.8 CNCC1=CC=CS1 M43398 [0,1,0,0,0,0|1,1,0]=3 306 B8R1.8 CNCC1=CSC=C1 M43396 [0,1,0,0,0,0|3,0,0]=4 307 B8R1.8 N#CCC1=CC=CS1 T39260 [0,1,0,0,0,0|1,1,0]=3 308 B8R1.8 N#CCC1=CN=CN1 I7680 [0,1,0,0,0,0|3,0,0]=4 309 B8R1.8 N#CCC1=CSC=C1 T12833 [0,1,0,0,0,0|3,0,0]=4 310 B8R1.8 N#CCC1=NC=CS1 T10963 [0,1,0,0,0,0|2,1,0]=4 311 B8R1.8 N#CCC1=NNC=C1 P12902 [0,1,0,0,0,0|3,0,0]=4 312 B8R1.8 NCCC1=CC=CS1 T12818 [0,1,0,0,0,0|1,1,0]=3 313 B8R1.8 NCCC1=CN=CS1 T41396 [0,1,0,0,0,0|2,1,0]=4 314 B8R1.8 NCCC1=CSC=C1 T1049 [0,1,0,0,0,0|3,0,0]=4 315 B8R1.8 NCCC1=CSC=C1 T10491 [0,1,0,0,0,0|3,0,0]=4 316 B8R1.8 NCCC1=NC=CN1 K41400 [0,1,0,0,0,0|3,0,0]=4 317 B8R1.8 NCCN1C=CC=C1 P41427 [0,1,0,0,0,0|3,0,0]=4 318 B8R1.8 NNCC1=CC=CS1 H13973 [0,1,0,0,0,0|1,1,0]=3 319 B8R1.8 NNCC1=CSC=C1 H13972 [0,1,0,0,0,0|3,0,0]=4 320 B8R1.8 OCCC1=CC=CS1 T12817 [0,1,0,0,0,0|0,2,0]=3 321 B8R1.8 OCCC1=CN=CN1 K41362 [0,1,0,0,0,0|2,1,0]=4 322 B8R1.8 OCCC1=CNC=N1 I10449 [0,1,0,0,0,0|2,1,0]=4 323 B8R1.8 OCCC1=CSC=C1 T12832 [0,1,0,0,0,0|2,1,0]=4 324 B8R1.8 OCCN1C=CC=N1 P41188 [0,1,0,0,0,0|2,1,0]=4 325 B8R1.11 BrCC1=C(Br)SC=C1 B7575 [0,1,0,0,0,0|3,0,0]=4 326 B8R1.11 CC1=C(C=O)NC=C1 M63105 [0,1,0,0,0,0|1,1,1]=4 327 B8R1.11 CC1=C(C=O)SC=C1 M39271 [0,1,0,0,0,0|0,2,1]=4 328 B8R1.11 CC1=C(CCl)NC=N1 C2452 [0,1,0,0,0,0|3,0,0]=4 329 B8R1.11 CC1=C(CO)NC=N1 H2822 [0,1,0,0,0,0|2,1,0]=4 330 B8R1.11 CC1=CNN=C1CO M63844 [0,1,0,0,0,0|2,1,0]=4 331 B8R1.11 CCC1=NC=CN1C E46632 [0,1,0,0,0,0|3,0,0]=4 332 B8R1.11 CCN1N=CC=C1N E10472 [0,1,0,0,0,0|3,0,0]=4 333 B8R1.11 CN1C=CC=C1C#N M61385 [0,1,0,0,0,0|2,0,1]=4 334 B8R1.11 CN1C=CC=C1C=O M17296 [0,1,0,0,0,0|1,1,1]=4 335 B8R1.11 CN1C=CC=C1CN M41429 [0,1,0,0,0,0|2,0,0]=3 336 B8R1.11 CN1C=CN=C1CCl C41129 [0,1,0,0,0,0|3,0,0]=4 337 B8R1.11 CN1C=CN=C1CCl C41132 [0,1,0,0,0,0|3,0,0]=4 338 B8R1.11 CN1C=CN=C1CN A13925 [0,1,0,0,0,0|3,0,0]=4 339 B8R1.11 CN1C=CN=C1CO M41198 [0,1,0,0,0,0|2,1,0]=4 340 B8R1.11 CN1C=NC=C1CN M1713 [0,1,0,0,0,0|3,0,0]=4 341 B8R1.11 CN1C=NC=C1CO H14300 [0,1,0,0,0,0|2,1,0]=4 342 B8R1.11 CN1N=CC=C1CCl C41130 [0,1,0,0,0,0|3,0,0]=4 343 B8R1.11 CN1N=CC=C1CN M9954 [0,1,0,0,0,0|3,0,0]=4 344 B8R1.11 ClCC1=C(Cl)SC=C1 C37492 [0,1,0,0,0,0|3,0,0]=4 345 B8R1.11 N#CC1=C(Br)C=CS1 B9490 [0,1,0,0,0,0|1,1,1]=4 346 B8R1.11 N#CC1=C(Cl)C=CS1 C61406 [0,1,0,0,0,0|1,1,1]=4 347 B8R1.11 N#CC1=CC=CN1N A10503 [0,1,0,0,0,0|2,0,1]=4 348 B8R1.11 NCC1=C(Cl)C=CS1 A7919 [0,1,0,0,0,0|1,1,0]=3 349 B8R1.11 O=CC1=C(Br)C=CN1 B14575 [0,1,0,0,0,0|1,1,1]=4 350 B8R1.11 O=CC1=C(Br)C=CO1 B6471 [0,1,0,0,0,0|0,1,1]=3 351 B8R1.11 O=CC1=C(Br)C=CS1 B14081 [0,1,0,0,0,0|0,2,1]=4 352 B8R1.11 O=CC1=C(Cl)C=CN1 C14573 [0,1,0,0,0,0|1,1,1]=4 353 B8R1.11 O=CC1=C(Cl)C=CS1 C14086 [0,1,0,0,0,0|0,2,1]=4 354 B8R1.11 OCC1=C(Br)C=CS1 B14083 [0,1,0,0,0,0|0,2,0]=3 355 B8R1.11 OCC1=C(Br)N=CS1 B38277 [0,1,0,0,0,0|1,2,0]=4 356 B8R1.11 OCC1=C(Br)SC=C1 B41017 [0,1,0,0,0,0|2,1,0]=4 357 B8R1.11 OCC1=C(Cl)C=CS1 C11289 [0,1,0,0,0,0|0,2,0]=3 358 B6R0.1 CC=CC(=O)CC H41457 [0,0,1,0,0,0|1,0,2]=4 359 B6R0.6 CCC\C=C\CO H41550 [0,0,1,0,0,0|1,0,2]=4 360 B6R0.6 C\C=C\C=C\CO H69109 [0,0,1,0,0,0|1,1,0]=3 361 B8R1.2 BrCC1=CC=NC=C1 B36897 [0,0,0,0,0,1|2,0,0]=3 362 B8R1.2 BrCC1=CN=CC=C1 B23879 [0,0,0,0,0,1|2,0,0]=3 363 B8R1.2 BrCC1=CN=CN=C1 B36879 [0,0,0,0,0,1|3,0,0]=4 364 B8R1.2 BrCC1=NC=CC=C1 B42841 [0,0,0,0,0,1|2,0,0]=3 365 B8R1.2 BrCC1=NC=CN=C1 B36766 [0,0,0,0,0,1|2,0,0]=3 366 B8R1.2 BrCC1=NC=NC=C1 B32305 [0,0,0,0,0,1|2,0,0]=3 367 B8R1.2 BrCC1=NN=CC=C1 B36818 [0,0,0,0,0,1|2,0,0]=3 368 B8R1.2 C#CC1=CC=CN=C1 E12479 [0,0,0,0,0,1|2,0,1]=4 369 B8R1.2 C#CC1=CC=CN=N1 E7489 [0,0,0,0,0,1|2,0,1]=4 370 B8R1.2 C#CC1=CC=NC=C1 E10312 [0,0,0,0,0,1|2,0,1]=4 371 B8R1.2 C#CC1=CC=NC=C1 E23238 [0,0,0,0,0,1|2,0,1]=4 372 B8R1.2 C#CC1=NC=CC=C1 E12434 [0,0,0,0,0,1|2,0,1]=4 373 B8R1.2 C#CC1=NC=CC=N1 E23392 [0,0,0,0,0,1|2,0,1]=4 374 B8R1.2 C#CC1=NC=CN=C1 E14588 [0,0,0,0,0,1|2,0,1]=4 375 B8R1.2 CCC1=NC=CN=C1 E43180 [0,0,0,0,0,1|2,0,0]=3 376 B8R1.2 CNC1=CC=CN=C1 M38086 [0,0,0,0,0,1|3,0,0]=4 377 B8R1.2 CNC1=CC=NC=C1 M68620 [0,0,0,0,0,1|3,0,0]=4 378 B8R1.2 CNC1=NC=CN=C1 M41140 [0,0,0,0,0,1|3,0,0]=4 379 B8R1.2 COC1=CC=NC=C1 M9391 [0,0,0,0,0,1|3,0,0]=4 380 B8R1.2 COC1=CN=CC=C1 M67978 [0,0,0,0,0,1|3,0,0]=4 381 B8R1.2 COC1=NC=CC=C1 M39277 [0,0,0,0,0,1|3,0,0]=4 382 B8R1.2 COC1=NC=CN=C1 M2768 [0,0,0,0,0,1|3,0,0]=4 383 B8R1.2 COC1=NN=CC=C1 M41021 [0,0,0,0,0,1|3,0,0]=4 384 B8R1.2 CSC1=NC=CC=N1 M2492 [0,0,0,0,0,1|3,0,0]=4 385 B8R1.2 ClCC1=CC=NC=C1 C68845 [0,0,0,0,0,1|2,0,0]=3 386 B8R1.2 ClCC1=CN=CN=C1 C10228 [0,0,0,0,0,1|3,0,0]=4 387 B8R1.2 ClCC1=NC=CC=C1 C67870 [0,0,0,0,0,1|2,0,0]=3 388 B8R1.2 ClCC1=NC=CC=N1 C0153 [0,0,0,0,0,1|2,0,0]=3 389 B8R1.2 ClCC1=NC=CC=N1 C40877 [0,0,0,0,0,1|2,0,0]=3 390 B8R1.2 ClCC1=NC=CN=C1 C0149 [0,0,0,0,0,1|2,0,0]=3 391 B8R1.2 ClCC1=NC=NC=C1 C40878 [0,0,0,0,0,1|2,0,0]=3 392 B8R1.2 ClCC1=NN=CC=C1 C0156 [0,0,0,0,0,1|2,0,0]=3 393 B8R1.2 N#CC1=NC=CC=N1 C12513 [0,0,0,0,0,1|2,0,1]=4 394 B8R1.2 N#CC1=NC=CN=C1 C68117 [0,0,0,0,0,1|2,0,1]=4 395 B8R1.2 N#CC1=NC=NC=C1 C12244 [0,0,0,0,0,1|2,0,1]=4 396 B8R1.2 N#CC1=NN=CC=C1 C7488 [0,0,0,0,0,1|2,0,1]=4 397 B8R1.2 NCC1=CC=CN=C1 A69257 [0,0,0,0,0,1|2,0,0]=3 398 B8R1.2 NCC1=CC=CN=N1 A0031 [0,0,0,0,0,1|2,0,0]=3 399 B8R1.2 NCC1=CC=CN=N1 P29569 [0,0,0,0,0,1|2,0,0]=3 400 B8R1.2 NCC1=CC=NC=C1 P67743 [0,0,0,0,0,1|2,0,0]=3 401 B8R1.2 NCC1=CN=CN=C1 P0028 [0,0,0,0,0,1|3,0,0]=4 402 B8R1.2 NCC1=CN=CN=C1 P29548 [0,0,0,0,0,1|3,0,0]=4 403 B8R1.2 NCC1=CN=NC=C1 A0027 [0,0,0,0,0,1|3,0,0]=4 404 B8R1.2 NCC1=CN=NC=C1 P41350 [0,0,0,0,0,1|3,0,0]=4 405 B8R1.2 NCC1=NC=CC=N1 A7421 [0,0,0,0,0,1|2,0,0]=3 406 B8R1.2 NCC1=NC=CC=N1 P0030 [0,0,0,0,0,1|2,0,0]=3 407 B8R1.2 NCC1=NC=CN=C1 P0029 [0,0,0,0,0,1|2,0,0]=3 408 B8R1.2 NCC1=NC=CN=C1 P4303 [0,0,0,0,0,1|2,0,0]=3 409 B8R1.2 NCC1=NC=NC=C1 A0032 [0,0,0,0,0,1|2,0,0]=3 410 B8R1.2 NCC1=NC=NC=C1 A10198 [0,0,0,0,0,1|2,0,0]=3 411 B8R1.2 NCC1=NC=NC=C1 P23754 [0,0,0,0,0,1|2,0,0]=3 412 B8R1.2 NNC1=CC=CC=C1 P68696 [0,0,0,0,0,1|3,0,0]=4 413 B8R1.2 NNC1=CC=CN=C1 H0043 [0,0,0,0,0,1|3,0,0]=4 414 B8R1.2 NNC1=CC=CN=C1 H41349 [0,0,0,0,0,1|3,0,0]=4 415 B8R1.2 NNC1=CC=NC=C1 H0042 [0,0,0,0,0,1|3,0,0]=4 416 B8R1.2 NNC1=NC=CC=C1 H38511 [0,0,0,0,0,1|3,0,0]=4 417 B8R1.2 NNC1=NC=CN=C1 H0220 [0,0,0,0,0,1|3,0,0]=4 418 B8R1.2 NOC1=CC=CC=C1 P43533 [0,0,0,0,0,1|3,0,0]=4 419 B8R1.2 O=CC1=CC=NC=C1 P42598 [0,0,0,0,0,1|1,1,1]=4 420 B8R1.2 O=CC1=CN=CC=C1 P13753 [0,0,0,0,0,1|1,1,1]=4 421 B8R1.2 O=CC1=NC=CC=C1 P67836 [0,0,0,0,0,1|1,1,1]=4 422 B8R1.2 O=CC1=NC=CC=N1 P0152 [0,0,0,0,0,1|1,1,1]=4 423 B8R1.2 O=CC1=NC=CN=C1 P0148 [0,0,0,0,0,1|1,1,1]=4 424 B8R1.2 O=CC1=NC=NC=C1 P40755 [0,0,0,0,0,1|1,1,1]=4 425 B8R1.2 OCC1=CC=NC=C1 P43429 [0,0,0,0,0,1|1,1,0]=3 426 B8R1.2 OCC1=CC=NC=C1 P67894 [0,0,0,0,0,1|1,1,0]=3 427 B8R1.2 OCC1=CN=CC=C1 P15946 [0,0,0,0,0,1|1,1,0]=3 428 B8R1.2 OCC1=CN=CN=C1 P0145 [0,0,0,0,0,1|2,1,0]=4 429 B8R1.2 OCC1=NC=CC=C1 P69303 [0,0,0,0,0,1|1,1,0]=3 430 B8R1.2 OCC1=NC=CC=N1 P0151 [0,0,0,0,0,1|1,1,0]=3 431 B8R1.2 OCC1=NC=CN=C1 P0147 [0,0,0,0,0,1|1,1,0]=3 432 B8R1.2 OCC1=NC=NC=C1 P0160 [0,0,0,0,0,1|1,1,0]=3 433 B8R1.2 OCC1=NN=CC=C1 P0155 [0,0,0,0,0,1|1,1,0]=3 434 B8R1.2 ONC1=CC=CC=C1 P67873 [0,0,0,0,0,1|2,1,0]=4 435 B5R0.1 C=C(C)OCC E5573 [1,0,1,0,0,0|0,0,2]=4 436 B5R0.1 C=CC[C@H](C)O P62507 [1,0,1,0,0,0|0,0,2]=4 437 B5R0.1 O=C(O)\C=C\Br B9431 [1,0,1,0,0,0|1,1,0]=4 438 B5R0.2 CCO\C=C/Br B2725 [1,0,1,0,0,0|1,0,1]=4 439 B5R0.2 OC\C=C\CO B64254 [1,0,1,0,0,0|0,1,1]=4 440 B5R0.3 C=C[C@H](C)ON B40346 [1,0,1,0,0,0|1,0,1]=4 441 B5R1.1 C1=COC=N1 X1773 [2,0,0,0,0,0|1,0,0]=3 442 B5R1.1 C1=CSC=N1 T0971 [2,0,0,0,0,0|1,1,0]=4 443 B5R1.1 C1=CSN=C1 T39830 [2,0,0,0,0,0|1,1,0]=4 444 B7R0.3 C=CCOC(=O)CI P7846 [0,1,1,0,0,0|2,0,0]=4 445 B7R0.4 CCC\C=C\C(=O)O H41460 [0,1,1,0,0,0|1,0,1]=4 446 B7R0.4 CCOC=CC(=O)O E41226 [0,1,1,0,0,0|2,0,0]=4 447 B7R1.2 CC1=CC(=O)CC1 M22783 [1,1,0,0,0,0|1,0,1]=4 448 B7R1.2 CC1=CC(=O)CO1 M41117 [1,1,0,0,0,0|0,0,1]=3 449 B7R1.2 CC1=CC(=O)NN1 M12010 [1,1,0,0,0,0|2,0,0]=4 450 B7R1.2 CC1=CC(=O)NO1 M68379 [1,1,0,0,0,0|1,0,0]=3 451 B7R1.2 CC1=CC(Br)=CS1 B40867 [1,1,0,0,0,0|0,1,0]=3 452 B7R1.2 CC1=CC(Br)=NN1 B9765 [1,1,0,0,0,0|2,0,0]=4 453 B7R1.2 CC1=CC(Br)=NO1 B2183 [1,1,0,0,0,0|1,0,0]=3 454 B7R1.2 CC1=CC(C)=NO1 D39182 [1,1,0,0,0,0|1,0,0]=3 455 B7R1.2 CC1=CC(Cl)=NN1 C7548 [1,1,0,0,0,0|2,0,0]=4 456 B7R1.2 CC1=CC(I)=NN1 I26594 [1,1,0,0,0,0|2,0,0]=4 457 B7R1.2 CC1=CC(N)=NN1 A11614 [1,1,0,0,0,0|2,0,0]=4 458 B7R1.2 CC1=CC(N)=NO1 A12655 [1,1,0,0,0,0|1,0,0]=3 459 B7R1.2 CC1=CC=C(Br)O1 B41015 [1,1,0,0,0,0|0,0,0]=2 460 B7R1.2 CC1=CC=C(Br)S1 B40865 [1,1,0,0,0,0|0,1,0]=3 461 B7R1.2 CC1=CC=C(C)S1 D43320 [1,1,0,0,0,0|0,1,0]=3 462 B7R1.2 CC1=CC=C(I)S1 K40868 [1,1,0,0,0,0|0,1,0]=3 463 B7R1.2 CC1=CN(C)N=C1 D69464 [1,1,0,0,0,0|2,0,0]=4 464 B7R1.2 CC1=CN=C(Br)S1 B40104 [1,1,0,0,0,0|1,1,0]=4 465 B7R1.2 CC1=CN=C(C)S1 D38993 [1,1,0,0,0,0|1,1,0]=4 466 B7R1.2 CC1=CN=C(Cl)S1 C1978 [1,1,0,0,0,0|1,1,0]=4 467 B7R1.2 CC1=CN=C(N)S1 A69715 [1,1,0,0,0,0|1,1,0]=4 468 B7R1.2 CC1=CN=C(N)S1 M69725 [1,1,0,0,0,0|1,1,0]=4 469 B7R1.2 CC1=CNC(Br)=N1 B40115 [1,1,0,0,0,0|2,0,0]=4 470 B7R1.2 CC1=CNC(C)=N1 D41187 [1,1,0,0,0,0|2,0,0]=4 471 B7R1.2 CC1=CNC(I)=N1 K40123 [1,1,0,0,0,0|2,0,0]=4 472 B7R1.2 CC1=COC(N)=N1 A2053 [1,1,0,0,0,0|2,0,0]=4 473 B7R1.2 CC1=CSC(Br)=N1 B2087 [1,1,0,0,0,0|2,0,0]=4 474 B7R1.2 CC1=CSC(C)=N1 D41174 [1,1,0,0,0,0|1,1,0]=4 475 B7R1.2 CC1=CSC(N)=C1 A0597 [1,1,0,0,0,0|1,1,0]=4 476 B7R1.2 CC1=NC(Br)=CN1 B2121 [1,1,0,0,0,0|2,0,0]=4 477 B7R1.2 CC1=NC(Br)=CS1 B2069 [1,1,0,0,0,0|1,1,0]=4 478 B7R1.2 CC1=NC(N)=NO1 M39856 [1,1,0,0,0,0|2,0,0]=4 479 B7R1.2 CC1=NC=C(Br)S1 B5222 [1,1,0,0,0,0|1,1,0]=4 480 B7R1.2 CC1=NC=C(I)N1 K40124 [1,1,0,0,0,0|2,0,0]=4 481 B7R1.2 CC1=NC=C(N)S1 M40189 [1,1,0,0,0,0|1,1,0]=4 482 B7R1.2 CC1=NN(C)C=C1 D4115 [1,1,0,0,0,0|2,0,0]=4 483 B7R1.2 CC1=NN=C(Br)O1 B62443 [1,1,0,0,0,0|2,0,0]=4 484 B7R1.2 CC1=NN=C(C)O1 D13454 [1,1,0,0,0,0|2,0,0]=4 485 B7R1.2 CC1=NN=C(N)O1 M5216 [1,1,0,0,0,0|2,0,0]=4 486 B7R1.2 CC1=NNC(=O)O1 M39837 [1,1,0,0,0,0|2,0,0]=4 487 B7R1.2 CC1=NNC(=S)O1 M62067 [1,1,0,0,0,0|2,0,0]=4 488 B7R1.2 CC1=NNC(Br)=C1 B40114 [1,1,0,0,0,0|2,0,0]=4 489 B7R1.2 CC1=NNC(I)=C1 K40122 [1,1,0,0,0,0|2,0,0]=4 490 B7R1.2 CC1=NNC(N)=C1 M40220 [1,1,0,0,0,0|2,0,0]=4 491 B7R1.2 CC1=NNC(O)=C1 M0907 [1,1,0,0,0,0|2,0,0]=4 492 B7R1.2 CC1=NOC(N)=C1 A37936 [1,1,0,0,0,0|2,0,0]=4 493 B7R1.2 CC1=NSC(I)=C1 I6114 [1,1,0,0,0,0|2,0,0]=4 494 B7R1.2 CC1=NSC(N)=C1 M65783 [1,1,0,0,0,0|2,0,0]=4 495 B7R1.2 CN1C=C(Br)C=N1 B7572 [1,1,0,0,0,0|2,0,0]=4 496 B7R1.2 CN1C=C(Cl)C=N1 C40119 [1,1,0,0,0,0|2,0,0]=4 497 B7R1.2 CN1C=C(I)C=N1 I23483 [1,1,0,0,0,0|2,0,0]=4 498 B7R1.2 CN1C=C(N)C=N1 A10471 [1,1,0,0,0,0|2,0,0]=4 499 B7R1.2 CN1C=C(N)C=N1 M24961 [1,1,0,0,0,0|2,0,0]=4 500 B7R1.2 CN1C=C(N)C=N1 M40360 [1,1,0,0,0,0|2,0,0]=4 501 B7R1.2 CN1C=C(O)C=N1 M38839 [1,1,0,0,0,0|2,0,0]=4 502 B7R1.2 CN1C=CC(=O)N1 M40182 [1,1,0,0,0,0|2,0,0]=4 503 B7R1.2 CN1C=CC(Br)=N1 B5930 [1,1,0,0,0,0|2,0,0]=4 504 B7R1.2 CN1C=CC(Cl)=N1 C64917 [1,1,0,0,0,0|2,0,0]=4 505 B7R1.2 CN1C=CC(I)=N1 M13226 [1,1,0,0,0,0|2,0,0]=4 506 B7R1.2 CN1C=CC(N)=N1 A3263 [1,1,0,0,0,0|2,0,0]=4 507 B7R1.2 ClC1=CC=C(Br)S1 B39971 [1,1,0,0,0,0|1,1,0]=4 508 B7R1.2 ClC1=CC=C(I)S1 C39974 [1,1,0,0,0,0|1,1,0]=4 509 B7R1.2 IC1=COC(I)=N1 D6541 [1,1,0,0,0,0|2,0,0]=4 510 B7R1.2 NC1=CSC(Cl)=C1 A14220 [1,1,0,0,0,0|1,1,0]=4 511 B7R1.2 NC1=CSC(Cl)=C1 A7362 [1,1,0,0,0,0|1,1,0]=4 512 B7R1.2 O=C1C=C(Br)CO1 B3416 [1,1,0,0,0,0|0,1,1]=4 513 B7R1.2 O=C1CC(O)=CO1 H1405 [1,1,0,0,0,0|0,1,1]=4 514 B7R1.2 OC1=CC=C(Br)S1 B40069 [1,1,0,0,0,0|0,2,0]=4 515 B7R1.4 BrC1=C(Br)SC=C1 D39969 [1,1,0,0,0,0|1,1,0]=4 516 B7R1.4 BrC1=C(I)SC=C1 B39972 [1,1,0,0,0,0|1,1,0]=4 517 B7R1.4 CC1=C(Br)C=NN1 B12011 [1,1,0,0,0,0|2,0,0]=4 518 B7R1.4 CC1=C(Br)C=NO1 B40106 [1,1,0,0,0,0|1,0,0]=3 519 B7R1.4 CC1=C(Br)N=CS1 B61015 [1,1,0,0,0,0|1,1,0]=4 520 B7R1.4 CC1=C(Br)NC=N1 B40116 [1,1,0,0,0,0|2,0,0]=4 521 B7R1.4 CC1=C(Br)SC=C1 B12699 [1,1,0,0,0,0|1,1,0]=4 522 B7R1.4 CC1=C(Br)SC=N1 B5072 [1,1,0,0,0,0|2,0,0]=4 523 B7R1.4 CC1=C(C)NC=N1 D41358 [1,1,0,0,0,0|2,0,0]=4 524 B7R1.4 CC1=C(C)NC=N1 D43581 [1,1,0,0,0,0|2,0,0]=4 525 B7R1.4 CC1=C(C)SC=N1 D41175 [1,1,0,0,0,0|1,1,0]=4 526 B7R1.4 CC1=C(Cl)SC=C1 C39173 [1,1,0,0,0,0|1,1,0]=4 527 B7R1.4 CC1=C(I)NC=N1 K40125 [1,1,0,0,0,0|2,0,0]=4 528 B7R1.4 CC1=C(N)ON=C1 M40180 [1,1,0,0,0,0|2,0,0]=4 529 B7R1.4 CC1=CC=NN1C D3267 [1,1,0,0,0,0|2,0,0]=4 530 B7R1.4 CC1=CNC=C1C D12050 [1,1,0,0,0,0|2,0,0]=4 531 B7R1.4 CC1=CNN=C1C D22811 [1,1,0,0,0,0|2,0,0]=4 532 B7R1.4 CC1=CNN=C1C D60965 [1,1,0,0,0,0|2,0,0]=4 533 B7R1.4 CC1=CSC=C1Br B40866 [1,1,0,0,0,0|2,0,0]=4 534 B7R1.4 CC1=NNC=C1I K40121 [1,1,0,0,0,0|2,0,0]=4 535 B7R1.4 CC1=NOC=C1N M38991 [1,1,0,0,0,0|2,0,0]=4 536 B7R1.4 CN1N=CC=C1I M9757 [1,1,0,0,0,0|2,0,0]=4 537 B7R1.4 CN1N=CC=C1N M12745 [1,1,0,0,0,0|2,0,0]=4 538 B7R1.4 CN1N=CC=C1O M23117 [1,1,0,0,0,0|2,0,0]=4 539 B7R1.4 CN1NC=CC1=O M40184 [1,1,0,0,0,0|2,0,0]=4 540 B7R1.4 ClC1=C(Br)C=CS1 B37895 [1,1,0,0,0,0|1,1,0]=4 541 B7R1.4 ClC1=C(Br)SC=C1 B39970 [1,1,0,0,0,0|1,1,0]=4 542 B7R1.4 ClC1=C(I)SC=C1 C60404 [1,1,0,0,0,0|1,1,0]=4 543 B9R1.1 BrCC1=CC=C(I)C=C1 B45171 [0,1,0,0,0,1|2,0,0]=4 544 B9R1.1 BrCC1=NC=C(Br)C=C1 B42521 [0,1,0,0,0,1|2,0,0]=4 545 B9R1.1 BrCC1=NC=C(Br)C=N1 B37593 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.1 BrCC1=NN=C(Br)C=C1 B36805 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.1 CC1=CC=C(CN)N=N1 M0158 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.1 CC1=CC=C(CN)N=N1 M27037 [0,1,0,0,0,1|2,0,0]=4 550 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [0,1,0,0,0,1|1,1,0]=4 551 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [0,1,0,0,0,1|2,0,0]=4 552 B9R1.1 CC1=CN=C(CCl)C=N1 C11548 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.1 CC1=CN=C(CCl)C=N1 C43004 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.1 CC1=CN=C(CCl)N=C1 C14428 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.1 CC1=CN=C(CCl)N=C1 C8015 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.1 CC1=CN=C(CN)C=N1 A3139 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.1 CC1=CN=C(CN)N=C1 M11333 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.1 CC1=CN=C(CO)C=N1 M43210 [0,1,0,0,0,1|1,1,0]=4 561 B9R1.1 CC1=CN=C(CO)N=C1 H11473 [0,1,0,0,0,1|1,1,0]=4 562 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [0,1,0,0,0,1|2,0,0]=4 563 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [0,1,0,0,0,1|1,1,0]=4 566 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [0,1,0,0,0,1|2,0,0]=4 569 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [0,1,0,0,0,1|2,0,0]=4 570 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [0,1,0,0,0,1|2,0,0]=4 571 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [0,1,0,0,0,1|2,0,0]=4 572 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [0,1,0,0,0,1|2,0,0]=4 573 B9R1.1 CCC1=NC=C(Br)C=N1 B36933 [0,1,0,0,0,1|2,0,0]=4 574 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [0,1,0,0,0,1|2,0,0]=4 575 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [0,1,0,0,0,1|2,0,0]=4 576 B9R1.1 CCC1=NC=C(N)C=N1 A11320 [0,1,0,0,0,1|2,0,0]=4 577 B9R1.1 ClC1=CC=C(CBr)C=C1 B45158 [0,1,0,0,0,1|2,0,0]=4 578 B9R1.1 ClC1=CN=C(CBr)C=C1 B42537 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.1 ClCC1=CC=C(Br)C=C1 B45160 [0,1,0,0,0,1|2,0,0]=4 580 B9R1.1 ClCC1=CN=C(Br)C=C1 B42528 [0,1,0,0,0,1|2,0,0]=4 581 B9R1.1 ClCC1=CN=C(Br)C=C1 B42539 [0,1,0,0,0,1|2,0,0]=4 582 B9R1.1 ClCC1=CN=C(Cl)C=N1 C40730 [0,1,0,0,0,1|2,0,0]=4 583 B9R1.1 ClCC1=NC=C(Br)C=C1 B42540 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.1 ClCC1=NC=C(Br)C=C1 B61533 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.1 ClCC1=NC=C(Br)C=N1 B14442 [0,1,0,0,0,1|2,0,0]=4 586 B9R1.1 ClCC1=NC=C(Cl)C=C1 C14676 [0,1,0,0,0,1|2,0,0]=4 587 B9R1.1 ClCC1=NC=C(Cl)C=C1 C42565 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.1 ClCC1=NC=C(Cl)C=N1 C14440 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.1 ClCC1=NN=C(Cl)C=C1 C14685 [0,1,0,0,0,1|2,0,0]=4 590 B9R1.1 ClCC1=NN=C(Cl)C=C1 C40731 [0,1,0,0,0,1|2,0,0]=4 591 B9R1.1 FC1=CC=C(C[Mg+])C=C1 F6777 [0,1,0,0,0,1|2,0,0]=4 592 B9R1.1 FC1=CN=C(CCl)N=C1 C31600 [0,1,0,0,0,1|2,0,0]=4 593 B9R1.1 FC1=NC=C(CBr)C=C1 B39061 [0,1,0,0,0,1|2,0,0]=4 594 B9R1.1 FC1=NC=C(CBr)C=C1 B7888 [0,1,0,0,0,1|2,0,0]=4 595 B9R1.1 FC1=NC=C(CCl)C=C1 C7887 [0,1,0,0,0,1|2,0,0]=4 596 B9R1.1 NC1=CC=C(CO)C=C1 A36619 [0,1,0,0,0,1|1,1,0]=4 597 B9R1.1 NC1=NC=C(CO)C=C1 A0345 [0,1,0,0,0,1|1,1,0]=4 598 B9R1.1 NCC1=CC=C(Br)C=C1 B36612 [0,1,0,0,0,1|2,0,0]=4 599 B9R1.1 NCC1=CC=C(Br)C=C1 B46090 [0,1,0,0,0,1|2,0,0]=4 600 B9R1.1 NCC1=CC=C(Cl)C=C1 C46099 [0,1,0,0,0,1|2,0,0]=4 601 B9R1.1 NCC1=CC=C(I)C=C1 I36689 [0,1,0,0,0,1|2,0,0]=4 602 B9R1.1 NCC1=CC=C(I)C=C1 K46123 [0,1,0,0,0,1|2,0,0]=4 603 B9R1.1 NCC1=CC=C(N)C=C1 A46581 [0,1,0,0,0,1|2,0,0]=4 604 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [0,1,0,0,0,1|2,0,0]=4 605 B9R1.1 NCC1=CN=C(Br)C=C1 B42976 [0,1,0,0,0,1|2,0,0]=4 606 B9R1.1 NCC1=CN=C(Cl)C=C1 A0585 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.1 NCC1=CN=C(F)C=C1 A13990 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.1 NCC1=CNC(=O)C=C1 A1719 [0,1,0,0,0,1|2,0,0]=4 609 B9R1.1 NCC1=NC=C(Br)C=C1 B15775 [0,1,0,0,0,1|2,0,0]=4 610 B9R1.1 NCC1=NC=C(Br)C=C1 B42983 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.1 NCC1=NC=C(Br)C=C1 B7021 [0,1,0,0,0,1|2,0,0]=4 612 B9R1.1 NCC1=NC=C(Br)C=N1 B11273 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.1 NCC1=NC=C(Br)C=N1 B29572 [0,1,0,0,0,1|2,0,0]=4 614 B9R1.1 NCC1=NC=C(Br)C=N1 B41070 [0,1,0,0,0,1|2,0,0]=4 615 B9R1.1 NCC1=NC=C(Cl)C=C1 C43002 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.1 NCC1=NC=C(Cl)C=C1 C43003 [0,1,0,0,0,1|2,0,0]=4 617 B9R1.1 NCC1=NC=C(F)C=N1 F14038 [0,1,0,0,0,1|2,0,0]=4 618 B9R1.1 NCC1=NC=C(F)C=N1 F29609 [0,1,0,0,0,1|2,0,0]=4 619 B9R1.1 NCC1=NC=C(N)C=C1 A36932 [0,1,0,0,0,1|2,0,0]=4 620 B9R1.1 NCC1=NN=C(Cl)C=C1 C36937 [0,1,0,0,0,1|2,0,0]=4 621 B9R1.1 O=C1C=CC(CO)=CN1 H37111 [0,1,0,0,0,1|1,1,0]=4 622 B9R1.1 OCC1=CC=C(Br)C=C1 B67585 [0,1,0,0,0,1|1,1,0]=4 623 B9R1.1 OCC1=CC=C(Cl)C=C1 C39406 [0,1,0,0,0,1|1,1,0]=4 624 B9R1.1 OCC1=CC=C(F)C=C1 F39409 [0,1,0,0,0,1|1,1,0]=4 625 B9R1.1 OCC1=CC=C(I)C=C1 I36662 [0,1,0,0,0,1|1,1,0]=4 626 B9R1.1 OCC1=CN=C(Br)C=C1 B12392 [0,1,0,0,0,1|1,1,0]=4 627 B9R1.1 OCC1=CN=C(Cl)C=C1 C9389 [0,1,0,0,0,1|1,1,0]=4 628 B9R1.1 OCC1=CN=C(Cl)C=N1 C1534 [0,1,0,0,0,1|1,1,0]=4 629 B9R1.1 OCC1=CN=C(F)C=C1 F13989 [0,1,0,0,0,1|1,1,0]=4 630 B9R1.1 OCC1=NC=C(Br)C=C1 B3203 [0,1,0,0,0,1|1,1,0]=4 631 B9R1.1 OCC1=NC=C(Br)C=N1 B14040 [0,1,0,0,0,1|1,1,0]=4 632 B9R1.1 OCC1=NC=C(Cl)C=C1 C22297 [0,1,0,0,0,1|1,1,0]=4 633 B9R1.1 OCC1=NC=C(Cl)C=N1 C14437 [0,1,0,0,0,1|1,1,0]=4 634 B9R1.1 OCC1=NC=C(F)C=C1 F0644 [0,1,0,0,0,1|1,1,0]=4 635 B9R1.1 OCC1=NC=C(F)C=N1 F11272 [0,1,0,0,0,1|1,1,0]=4 636 B9R1.1 OCC1=NN=C(Cl)C=C1 C14684 [0,1,0,0,0,1|1,1,0]=4 637 B9R1.2 BrCC1=CC(Br)=NC=C1 B36914 [0,1,0,0,0,1|2,0,0]=4 638 B9R1.2 BrCC1=CC(Br)=NC=C1 B42520 [0,1,0,0,0,1|2,0,0]=4 639 B9R1.2 BrCC1=CC=CC(Br)=C1 B39369 [0,1,0,0,0,1|2,0,0]=4 640 B9R1.2 BrCC1=CC=CC(Br)=N1 B42519 [0,1,0,0,0,1|2,0,0]=4 641 B9R1.2 BrCC1=CC=CC(I)=C1 B45170 [0,1,0,0,0,1|2,0,0]=4 642 B9R1.2 CC1=CC(CCl)=CN=C1 C46109 [0,1,0,0,0,1|2,0,0]=4 643 B9R1.2 CC1=CC(CCl)=NC=C1 C46106 [0,1,0,0,0,1|2,0,0]=4 644 B9R1.2 CC1=CC(CN)=NC=C1 A62602 [0,1,0,0,0,1|2,0,0]=4 645 B9R1.2 CC1=CC(CN)=NC=C1 M46587 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.2 CC1=CC(CO)=CN=C1 H10516 [0,1,0,0,0,1|1,1,0]=4 647 B9R1.2 CC1=CC(CO)=NC=C1 M46387 [0,1,0,0,0,1|1,1,0]=4 648 B9R1.2 CC1=CC(CO)=NC=N1 M11486 [0,1,0,0,0,1|1,1,0]=4 649 B9R1.2 CC1=CC(CO)=NN=C1 M27710 [0,1,0,0,0,1|1,1,0]=4 650 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [0,1,0,0,0,1|2,0,0]=4 651 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [0,1,0,0,0,1|2,0,0]=4 652 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [0,1,0,0,0,1|2,0,0]=4 653 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [0,1,0,0,0,1|2,0,0]=4 654 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [0,1,0,0,0,1|2,0,0]=4 655 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [0,1,0,0,0,1|1,1,0]=4 656 B9R1.2 CC1=CC=NC(CCl)=N1 C11471 [0,1,0,0,0,1|2,0,0]=4 657 B9R1.2 CC1=CC=NC(CN)=N1 A14426 [0,1,0,0,0,1|2,0,0]=4 658 B9R1.2 CC1=CC=NC(CN)=N1 M29730 [0,1,0,0,0,1|2,0,0]=4 659 B9R1.2 CC1=CC=NC(CO)=N1 H11472 [0,1,0,0,0,1|1,1,0]=4 660 B9R1.2 CC1=CN=CC(CCl)=N1 C43005 [0,1,0,0,0,1|2,0,0]=4 661 B9R1.2 CC1=CN=NC(CN)=C1 A13026 [0,1,0,0,0,1|2,0,0]=4 662 B9R1.2 CC1=CN=NC(CN)=C1 M27097 [0,1,0,0,0,1|2,0,0]=4 663 B9R1.2 CC1=NC=CC(CBr)=C1 B37231 [0,1,0,0,0,1|2,0,0]=4 664 B9R1.2 CC1=NC=CC(CN)=C1 M46586 [0,1,0,0,0,1|2,0,0]=4 665 B9R1.2 CC1=NC=CC(CO)=C1 M4019 [0,1,0,0,0,1|1,1,0]=4 666 B9R1.2 CCC1=CC(=O)NC=N1 E43198 [0,1,0,0,0,1|2,0,0]=4 667 B9R1.2 CCC1=CC(Br)=CN=C1 B46076 [0,1,0,0,0,1|2,0,0]=4 668 B9R1.2 CCC1=CC(Cl)=NC=N1 C69336 [0,1,0,0,0,1|2,0,0]=4 669 B9R1.2 CCC1=CC(N)=NC=C1 E4696 [0,1,0,0,0,1|2,0,0]=4 670 B9R1.2 CCC1=CC=CC(Br)=C1 B49158 [0,1,0,0,0,1|2,0,0]=4 671 B9R1.2 CCC1=CC=CC(Br)=N1 B46074 [0,1,0,0,0,1|2,0,0]=4 672 B9R1.2 CCC1=CC=CC(N)=C1 E68361 [0,1,0,0,0,1|2,0,0]=4 673 B9R1.2 CCC1=CC=CC(N)=N1 E43601 [0,1,0,0,0,1|2,0,0]=4 674 B9R1.2 CCC1=CC=CC([Mg+])=C1 E31740 [0,1,0,0,0,1|2,0,0]=4 675 B9R1.2 CCC1=CN=CC(N)=C1 E37485 [0,1,0,0,0,1|2,0,0]=4 676 B9R1.2 CCC1=NC=CC(Br)=C1 B46078 [0,1,0,0,0,1|2,0,0]=4 677 B9R1.2 CCC1=NC=CC(Cl)=N1 C29661 [0,1,0,0,0,1|2,0,0]=4 678 B9R1.2 CCC1=NC=CC(N)=C1 A15478 [0,1,0,0,0,1|2,0,0]=4 679 B9R1.2 ClC1=CC=CC(CBr)=C1 B39371 [0,1,0,0,0,1|2,0,0]=4 680 B9R1.2 ClC1=NC=CC(CBr)=C1 B42538 [0,1,0,0,0,1|2,0,0]=4 681 B9R1.2 ClCC1=CC(Br)=CN=C1 B15185 [0,1,0,0,0,1|2,0,0]=4 682 B9R1.2 ClCC1=CC(Cl)=CN=C1 C1777 [0,1,0,0,0,1|2,0,0]=4 683 B9R1.2 ClCC1=CC(Cl)=NC=C1 C12077 [0,1,0,0,0,1|2,0,0]=4 684 B9R1.2 ClCC1=CC=CC(Br)=C1 B45159 [0,1,0,0,0,1|2,0,0]=4 685 B9R1.2 ClCC1=CC=CC(Br)=N1 B27809 [0,1,0,0,0,1|2,0,0]=4 686 B9R1.2 ClCC1=CC=CC(Cl)=N1 C42562 [0,1,0,0,0,1|2,0,0]=4 687 B9R1.2 ClCC1=CC=CC(I)=C1 C45183 [0,1,0,0,0,1|2,0,0]=4 688 B9R1.2 ClCC1=NC=CC(Cl)=C1 C32395 [0,1,0,0,0,1|2,0,0]=4 689 B9R1.2 FC1=CC(CBr)=CN=C1 B37165 [0,1,0,0,0,1|2,0,0]=4 690 B9R1.2 FC1=CC(CCl)=CN=C1 C1821 [0,1,0,0,0,1|2,0,0]=4 691 B9R1.2 FC1=CC=CC(CBr)=C1 B45165 [0,1,0,0,0,1|2,0,0]=4 692 B9R1.2 FC1=CC=CC(CBr)=N1 B42547 [0,1,0,0,0,1|2,0,0]=4 693 B9R1.2 FC1=CC=CC(CCl)=N1 C42570 [0,1,0,0,0,1|2,0,0]=4 694 B9R1.2 NC1=CC(CO)=CN=C1 A43207 [0,1,0,0,0,1|1,1,0]=4 695 B9R1.2 NC1=CC(CO)=NC=C1 A15900 [0,1,0,0,0,1|1,1,0]=4 696 B9R1.2 NC1=CC=CC(CO)=C1 A37868 [0,1,0,0,0,1|1,1,0]=4 697 B9R1.2 NC1=CC=CC(CO)=N1 A43208 [0,1,0,0,0,1|1,1,0]=4 698 B9R1.2 NC1=NC=CC(CO)=C1 A10460 [0,1,0,0,0,1|1,1,0]=4 699 B9R1.2 NC1=NC=CC(CO)=N1 A38214 [0,1,0,0,0,1|1,1,0]=4 700 B9R1.2 NCC1=CC(=O)N=CN1 A0948 [0,1,0,0,0,1|2,0,0]=4 701 B9R1.2 NCC1=CC(=O)NC=C1 A1717 [0,1,0,0,0,1|2,0,0]=4 702 B9R1.2 NCC1=CC(Br)=NC=C1 B25759 [0,1,0,0,0,1|2,0,0]=4 703 B9R1.2 NCC1=CC(Cl)=NC=C1 A10467 [0,1,0,0,0,1|2,0,0]=4 704 B9R1.2 NCC1=CC(Cl)=NC=C1 C30000 [0,1,0,0,0,1|2,0,0]=4 705 B9R1.2 NCC1=CC(F)=CN=C1 F5829 [0,1,0,0,0,1|2,0,0]=4 706 B9R1.2 NCC1=CC(F)=NC=C1 F43572 [0,1,0,0,0,1|2,0,0]=4 707 B9R1.2 NCC1=CC(F)=NC=C1 F61414 [0,1,0,0,0,1|2,0,0]=4 708 B9R1.2 NCC1=CC(N)=NC=C1 A43343 [0,1,0,0,0,1|2,0,0]=4 709 B9R1.2 NCC1=CC(N)=NC=N1 A0583 [0,1,0,0,0,1|2,0,0]=4 710 B9R1.2 NCC1=CC=CC(Br)=C1 B46079 [0,1,0,0,0,1|2,0,0]=4 711 B9R1.2 NCC1=CC=CC(Br)=N1 B42981 [0,1,0,0,0,1|2,0,0]=4 712 B9R1.2 NCC1=CC=CC(Cl)=C1 C46098 [0,1,0,0,0,1|2,0,0]=4 713 B9R1.2 NCC1=CC=CC(Cl)=N1 C43006 [0,1,0,0,0,1|2,0,0]=4 714 B9R1.2 NCC1=CC=CC(F)=C1 F15968 [0,1,0,0,0,1|2,0,0]=4 715 B9R1.2 NCC1=CC=CC(I)=C1 K46122 [0,1,0,0,0,1|2,0,0]=4 716 B9R1.2 NCC1=CC=CC(N)=C1 A43599 [0,1,0,0,0,1|2,0,0]=4 717 B9R1.2 NCC1=CC=NC(Cl)=N1 C29619 [0,1,0,0,0,1|2,0,0]=4 718 B9R1.2 NCC1=CN=CC(Cl)=N1 C18971 [0,1,0,0,0,1|2,0,0]=4 719 B9R1.2 NCC1=NC=CC(Br)=C1 A1747 [0,1,0,0,0,1|2,0,0]=4 720 B9R1.2 NCC1=NC=CC(Br)=C1 B42982 [0,1,0,0,0,1|2,0,0]=4 721 B9R1.2 NCC1=NC=CC(Cl)=C1 A14281 [0,1,0,0,0,1|2,0,0]=4 722 B9R1.2 NCC1=NC=CC(F)=C1 F43529 [0,1,0,0,0,1|2,0,0]=4 723 B9R1.2 O=C1C=C(CO)C=CN1 H0460 [0,1,0,0,0,1|1,1,0]=4 724 B9R1.2 O=C1C=CC=C(CO)N1 H23237 [0,1,0,0,0,1|1,1,0]=4 725 B9R1.2 O=C1C=CN=C(CCl)N1 C40934 [0,1,0,0,0,1|2,0,0]=4 726 B9R1.2 OC1=CC=CC(CBr)=C1 B38962 [0,1,0,0,0,1|2,0,0]=4 727 B9R1.2 OCC1=CC(Br)=CN=C1 B12503 [0,1,0,0,0,1|1,1,0]=4 728 B9R1.2 OCC1=CC(Br)=NC=C1 B42880 [0,1,0,0,0,1|1,1,0]=4 729 B9R1.2 OCC1=CC(Cl)=CN=C1 C42912 [0,1,0,0,0,1|1,1,0]=4 730 B9R1.2 OCC1=CC(Cl)=NC=C1 C12733 [0,1,0,0,0,1|1,1,0]=4 731 B9R1.2 OCC1=CC(Cl)=NC=N1 C11372 [0,1,0,0,0,1|1,1,0]=4 732 B9R1.2 OCC1=CC(F)=CN=C1 F0704 [0,1,0,0,0,1|1,1,0]=4 733 B9R1.2 OCC1=CC(O)=CN=C1 H39124 [0,1,0,0,0,1|1,1,0]=4 734 B9R1.2 OCC1=CC=CC(Br)=N1 B12271 [0,1,0,0,0,1|1,1,0]=4 735 B9R1.2 OCC1=CC=CC(Cl)=C1 C39405 [0,1,0,0,0,1|1,1,0]=4 736 B9R1.2 OCC1=CC=CC(Cl)=N1 C38619 [0,1,0,0,0,1|1,1,0]=4 737 B9R1.2 OCC1=CC=CC(Cl)=N1 C42916 [0,1,0,0,0,1|1,1,0]=4 738 B9R1.2 OCC1=CC=CC(F)=C1 F39408 [0,1,0,0,0,1|1,1,0]=4 739 B9R1.2 OCC1=CC=CC(F)=N1 F67771 [0,1,0,0,0,1|1,1,0]=4 740 B9R1.2 OCC1=CC=CC(I)=C1 H61971 [0,1,0,0,0,1|1,1,0]=4 741 B9R1.2 OCC1=CN=CC(Br)=N1 B40916 [0,1,0,0,0,1|1,1,0]=4 742 B9R1.2 OCC1=CN=CC(Cl)=N1 C14609 [0,1,0,0,0,1|1,1,0]=4 743 B9R1.2 OCC1=NC=CC(Br)=C1 B0602 [0,1,0,0,0,1|1,1,0]=4 744 B9R1.2 OCC1=NC=CC(Cl)=C1 C12436 [0,1,0,0,0,1|1,1,0]=4 745 B9R1.2 OCC1=NC=CC(F)=C1 F37340 [0,1,0,0,0,1|1,1,0]=4 746 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [0,1,0,0,0,1|2,0,0]=4 747 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [0,1,0,0,0,1|2,0,0]=4 748 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [0,1,0,0,0,1|2,0,0]=4 749 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [0,1,0,0,0,1|2,0,0]=4 750 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [0,1,0,0,0,1|2,0,0]=4 751 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [0,1,0,0,0,1|2,0,0]=4 752 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [0,1,0,0,0,1|2,0,0]=4 753 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [0,1,0,0,0,1|1,1,0]=4 754 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [0,1,0,0,0,1|1,1,0]=4 755 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [0,1,0,0,0,1|1,1,0]=4 756 B9R1.6 C[C@H](Br)C1=NC=CN=C1 B42963 [0,1,0,0,0,1|2,0,0]=4 757 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [0,1,0,0,0,1|2,0,0]=4 758 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [0,1,0,0,0,1|2,0,0]=4 759 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [0,1,0,0,0,1|2,0,0]=4 760 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [0,1,0,0,0,1|2,0,0]=4 761 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [0,1,0,0,0,1|2,0,0]=4 762 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [0,1,0,0,0,1|2,0,0]=4 763 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [0,1,0,0,0,1|2,0,0]=4 764 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [0,1,0,0,0,1|2,0,0]=4 765 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [0,1,0,0,0,1|2,0,0]=4 766 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [0,1,0,0,0,1|2,0,0]=4 767 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [0,1,0,0,0,1|2,0,0]=4 768 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [0,1,0,0,0,1|2,0,0]=4 769 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [0,1,0,0,0,1|1,1,0]=4 770 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [0,1,0,0,0,1|1,1,0]=4 771 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [0,1,0,0,0,1|1,1,0]=4 772 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [0,1,0,0,0,1|1,1,0]=4 773 B9R1.8 BrCCC1=CC=NC=C1 B46088 [0,1,0,0,0,1|2,0,0]=4 774 B9R1.8 CCCC1=NC=CC=C1 P46859 [0,1,0,0,0,1|2,0,0]=4 775 B9R1.8 CCCC1=NC=CN=C1 P43598 [0,1,0,0,0,1|2,0,0]=4 776 B9R1.8 CCNC1=NC=CN=C1 E43330 [0,1,0,0,0,1|2,0,0]=4 777 B9R1.8 CCOC1=NC=CC=C1 E46369 [0,1,0,0,0,1|2,0,0]=4 778 B9R1.8 CNCC1=CC=NC=C1 M43623 [0,1,0,0,0,1|2,0,0]=4 779 B9R1.8 CNCC1=NC=CC=N1 M14362 [0,1,0,0,0,1|2,0,0]=4 780 B9R1.8 CNCC1=NC=CC=N1 M31227 [0,1,0,0,0,1|2,0,0]=4 781 B9R1.8 CNCC1=NC=CN=C1 M14584 [0,1,0,0,0,1|2,0,0]=4 782 B9R1.8 COCC1=NC=CC=C1 M46377 [0,1,0,0,0,1|1,1,0]=4 783 B9R1.8 N#CCC1=CN=CC=C1 P38543 [0,1,0,0,0,1|2,0,0]=4 784 B9R1.8 N#CCC1=NC=CC=C1 P45196 [0,1,0,0,0,1|2,0,0]=4 785 B9R1.8 N#CCC1=NC=CC=N1 P7449 [0,1,0,0,0,1|2,0,0]=4 786 B9R1.8 N#CCC1=NC=NC=C1 P7453 [0,1,0,0,0,1|2,0,0]=4 787 B9R1.8 N#CCC1=NN=CC=C1 P7452 [0,1,0,0,0,1|2,0,0]=4 788 B9R1.8 NCCC1=CC=CN=C1 P43605 [0,1,0,0,0,1|2,0,0]=4 789 B9R1.8 NCCC1=NC=CC=C1 P67673 [0,1,0,0,0,1|2,0,0]=4 790 B9R1.8 NCCC1=NC=NC=C1 P14666 [0,1,0,0,0,1|2,0,0]=4 791 B9R1.8 NCCC1=NC=NC=C1 P29961 [0,1,0,0,0,1|2,0,0]=4 792 B9R1.8 NNCC1=CC=CC=C1 B6123 [0,1,0,0,0,1|2,0,0]=4 793 B9R1.8 NNCC1=CC=CC=C1 B68081 [0,1,0,0,0,1|2,0,0]=4 794 B9R1.8 NNCC1=CC=CN=C1 H0097 [0,1,0,0,0,1|2,0,0]=4 795 B9R1.8 NNCC1=CC=CN=C1 H36962 [0,1,0,0,0,1|2,0,0]=4 796 B9R1.8 NNCC1=CC=CN=N1 H13970 [0,1,0,0,0,1|2,0,0]=4 797 B9R1.8 NNCC1=CC=NC=C1 H0096 [0,1,0,0,0,1|2,0,0]=4 798 B9R1.8 NNCC1=CC=NC=C1 H26285 [0,1,0,0,0,1|2,0,0]=4 799 B9R1.8 NNCC1=NC=CC=C1 H0098 [0,1,0,0,0,1|2,0,0]=4 800 B9R1.8 NNCC1=NC=CC=N1 H7463 [0,1,0,0,0,1|2,0,0]=4 801 B9R1.8 NNCC1=NC=CN=C1 H7534 [0,1,0,0,0,1|2,0,0]=4 802 B9R1.8 NOCC1=CC=CC=C1 B68114 [0,1,0,0,0,1|1,1,0]=4 803 B9R1.8 OCCC1=CC=NC=C1 H46381 [0,1,0,0,0,1|1,1,0]=4 804 B9R1.8 OCCC1=CN=CC=C1 P46376 [0,1,0,0,0,1|1,1,0]=4 805 B9R1.8 OCCC1=NC=CN=C1 P24824 [0,1,0,0,0,1|1,1,0]=4 806 B9R1.8 ONCC1=CC=CC=C1 B36744 [0,1,0,0,0,1|1,1,0]=4 807 B9R1.8 ONCC1=CC=CC=C1 B46575 [0,1,0,0,0,1|1,1,0]=4 808 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [0,1,0,0,0,1|2,0,0]=4 809 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [0,1,0,0,0,1|2,0,0]=4 810 B9R1.15 BrCC1=C(Br)C=CC=N1 B32048 [0,1,0,0,0,1|2,0,0]=4 811 B9R1.15 BrCC1=C(I)C=CC=C1 B37896 [0,1,0,0,0,1|2,0,0]=4 812 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [0,1,0,0,0,1|2,0,0]=4 813 B9R1.15 CC1=C(CBr)C=NC=C1 B37536 [0,1,0,0,0,1|2,0,0]=4 814 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [0,1,0,0,0,1|2,0,0]=4 815 B9R1.15 CC1=C(CCl)C=CN=C1 C13917 [0,1,0,0,0,1|2,0,0]=4 816 B9R1.15 CC1=C(CCl)C=CN=C1 C46110 [0,1,0,0,0,1|2,0,0]=4 817 B9R1.15 CC1=C(CCl)C=NC=C1 C14757 [0,1,0,0,0,1|2,0,0]=4 818 B9R1.15 CC1=C(CCl)C=NC=C1 C46108 [0,1,0,0,0,1|2,0,0]=4 819 B9R1.15 CC1=C(CN)C=CC=C1 M65907 [0,1,0,0,0,1|2,0,0]=4 820 B9R1.15 CC1=C(CN)C=NC=C1 A11511 [0,1,0,0,0,1|2,0,0]=4 821 B9R1.15 CC1=C(CN)N=NC=C1 M60279 [0,1,0,0,0,1|2,0,0]=4 822 B9R1.15 CC1=C(CO)C=CN=C1 H1761 [0,1,0,0,0,1|1,1,0]=4 823 B9R1.15 CC1=C(CO)C=NC=C1 H11512 [0,1,0,0,0,1|1,1,0]=4 824 B9R1.15 CC1=CC=CN=C1CCl C14758 [0,1,0,0,0,1|2,0,0]=4 825 B9R1.15 CC1=CC=CN=C1CCl C46105 [0,1,0,0,0,1|2,0,0]=4 826 B9R1.15 CC1=CC=CN=C1CN M46460 [0,1,0,0,0,1|2,0,0]=4 827 B9R1.15 CC1=CC=CN=C1CO H46388 [0,1,0,0,0,1|1,1,0]=4 828 B9R1.15 CC1=NC=CN=C1CCl C14615 [0,1,0,0,0,1|2,0,0]=4 829 B9R1.15 CC1=NC=CN=C1CN A11549 [0,1,0,0,0,1|2,0,0]=4 830 B9R1.15 CC1=NC=CN=C1CO H14616 [0,1,0,0,0,1|1,1,0]=4 831 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [0,1,0,0,0,1|2,0,0]=4 832 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [0,1,0,0,0,1|2,0,0]=4 833 B9R1.15 CCC1=C(Br)C=CN=C1 B10961 [0,1,0,0,0,1|2,0,0]=4 834 B9R1.15 CCC1=C(Br)C=CN=C1 B30062 [0,1,0,0,0,1|2,0,0]=4 835 B9R1.15 CCC1=C(Br)C=NC=C1 B23431 [0,1,0,0,0,1|2,0,0]=4 836 B9R1.15 CCC1=C(Br)C=NC=N1 B42964 [0,1,0,0,0,1|2,0,0]=4 837 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [0,1,0,0,0,1|2,0,0]=4 838 B9R1.15 CCC1=C(F)C=NC=N1 E0673 [0,1,0,0,0,1|2,0,0]=4 839 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [0,1,0,0,0,1|2,0,0]=4 840 B9R1.15 CCC1=NC=CN=C1C E43603 [0,1,0,0,0,1|2,0,0]=4 841 B9R1.15 CCC1=NC=CN=C1Cl C38966 [0,1,0,0,0,1|2,0,0]=4 842 B9R1.15 CCC1=NC=CN=C1N E43328 [0,1,0,0,0,1|2,0,0]=4 843 B9R1.15 CCC1=NC=CNC1=O E43188 [0,1,0,0,0,1|2,0,0]=4 844 B9R1.15 ClCC1=C(Br)C=CC=N1 B42529 [0,1,0,0,0,1|2,0,0]=4 845 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42563 [0,1,0,0,0,1|2,0,0]=4 846 B9R1.15 ClCC1=C(Cl)C=CC=N1 C42564 [0,1,0,0,0,1|2,0,0]=4 847 B9R1.15 ClCC1=CC=CN=C1Cl C7688 [0,1,0,0,0,1|2,0,0]=4 848 B9R1.15 ClCC1=NC=CN=C1Cl C12594 [0,1,0,0,0,1|2,0,0]=4 849 B9R1.15 FC1=C(C[Mg+])C=CC=C1 F6778 [0,1,0,0,0,1|2,0,0]=4 850 B9R1.15 FC1=CC=CN=C1CBr B19661 [0,1,0,0,0,1|2,0,0]=4 851 B9R1.15 FC1=CC=CN=C1CBr B7783 [0,1,0,0,0,1|2,0,0]=4 852 B9R1.15 FC1=CC=CN=C1CCl C13988 [0,1,0,0,0,1|2,0,0]=4 853 B9R1.15 NC1=C(CO)C=CC=C1 A7795 [0,1,0,0,0,1|1,1,0]=4 854 B9R1.15 NC1=C(CO)C=CC=N1 A12467 [0,1,0,0,0,1|1,1,0]=4 855 B9R1.15 NC1=CC=CN=C1CO A24069 [0,1,0,0,0,1|1,1,0]=4 856 B9R1.15 NCC1=C(Br)C=CC=C1 B36643 [0,1,0,0,0,1|2,0,0]=4 857 B9R1.15 NCC1=C(Br)C=CN=C1 B63849 [0,1,0,0,0,1|2,0,0]=4 858 B9R1.15 NCC1=C(Br)C=NC=C1 B36920 [0,1,0,0,0,1|2,0,0]=4 859 B9R1.15 NCC1=C(Cl)C=CC=C1 C46097 [0,1,0,0,0,1|2,0,0]=4 860 B9R1.15 NCC1=C(Cl)C=CC=C1 C46104 [0,1,0,0,0,1|2,0,0]=4 861 B9R1.15 NCC1=C(Cl)C=CC=N1 A14307 [0,1,0,0,0,1|2,0,0]=4 862 B9R1.15 NCC1=C(Cl)C=CC=N1 C29809 [0,1,0,0,0,1|2,0,0]=4 863 B9R1.15 NCC1=C(F)C=CC=C1 F26320 [0,1,0,0,0,1|2,0,0]=4 864 B9R1.15 NCC1=C(F)C=CC=N1 A12648 [0,1,0,0,0,1|2,0,0]=4 865 B9R1.15 NCC1=C(F)C=CC=N1 A1712 [0,1,0,0,0,1|2,0,0]=4 866 B9R1.15 NCC1=C(F)C=CC=N1 F61824 [0,1,0,0,0,1|2,0,0]=4 867 B9R1.15 NCC1=C(F)C=NC=C1 F9408 [0,1,0,0,0,1|2,0,0]=4 868 B9R1.15 NCC1=C(I)C=CC=C1 I36799 [0,1,0,0,0,1|2,0,0]=4 869 B9R1.15 NCC1=C(O)C=CC=C1 A38718 [0,1,0,0,0,1|2,0,0]=4 870 B9R1.15 NCC1=C(O)C=CC=C1 A46574 [0,1,0,0,0,1|2,0,0]=4 871 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [0,1,0,0,0,1|2,0,0]=4 872 B9R1.15 NCC1=C(O)C=NC=C1 A43200 [0,1,0,0,0,1|2,0,0]=4 873 B9R1.15 NCC1=CC=CN=C1Cl A10464 [0,1,0,0,0,1|2,0,0]=4 874 B9R1.15 NCC1=CC=CN=C1F F43528 [0,1,0,0,0,1|2,0,0]=4 875 B9R1.15 NCC1=NC=CN=C1Cl C25893 [0,1,0,0,0,1|2,0,0]=4 876 B9R1.15 NCC1=NC=CN=C1Cl C26687 [0,1,0,0,0,1|2,0,0]=4 877 B9R1.15 OCC1=C(Br)C=CC=C1 B39402 [0,1,0,0,0,1|1,1,0]=4 878 B9R1.15 OCC1=C(Br)C=CC=N1 B42889 [0,1,0,0,0,1|1,1,0]=4 879 B9R1.15 OCC1=C(Br)C=NC=C1 B9966 [0,1,0,0,0,1|1,1,0]=4 880 B9R1.15 OCC1=C(Cl)C=CC=C1 C68885 [0,1,0,0,0,1|1,1,0]=4 881 B9R1.15 OCC1=C(Cl)C=CC=N1 C42910 [0,1,0,0,0,1|1,1,0]=4 882 B9R1.15 OCC1=C(Cl)C=CN=C1 C42911 [0,1,0,0,0,1|1,1,0]=4 883 B9R1.15 OCC1=C(Cl)C=CN=C1 C42915 [0,1,0,0,0,1|1,1,0]=4 884 B9R1.15 OCC1=C(F)C=CC=C1 F39407 [0,1,0,0,0,1|1,1,0]=4 885 B9R1.15 OCC1=C(F)C=CC=N1 F1706 [0,1,0,0,0,1|1,1,0]=4 886 B9R1.15 OCC1=C(F)C=CN=C1 F30083 [0,1,0,0,0,1|1,1,0]=4 887 B9R1.15 OCC1=C(F)C=NC=C1 F10404 [0,1,0,0,0,1|1,1,0]=4 888 B9R1.15 OCC1=C(I)C=CC=C1 K45967 [0,1,0,0,0,1|1,1,0]=4 889 B9R1.15 OCC1=C(O)C=CC=N1 H60848 [0,1,0,0,0,1|1,1,0]=4 890 B9R1.15 OCC1=CC=CN=C1Br B69414 [0,1,0,0,0,1|1,1,0]=4 891 B9R1.15 OCC1=CC=CN=C1Cl C0580 [0,1,0,0,0,1|1,1,0]=4 892 B9R1.15 OCC1=CC=CN=C1F F42930 [0,1,0,0,0,1|1,1,0]=4 893 B9R1.15 OCC1=NC=CN=C1Cl C1612 [0,1,0,0,0,1|1,1,0]=4 894 B9R1.7 CC1=CC=C(CCO)O1 M43716 [0,2,0,0,0,0|0,1,0]=3 895 B9R1.7 CCCC1=CC=C(Br)S1 B38199 [0,2,0,0,0,0|1,1,0]=4 896 B9R1.7 N#CCC1=CC=C(Br)S1 B61534 [0,2,0,0,0,0|1,1,0]=4 897 B9R1.7 NNCC1=CC=C(Cl)S1 C13974 [0,2,0,0,0,0|1,1,0]=4 898 B9R1.7 OCCC1=CC(Br)=NO1 B2471 [0,2,0,0,0,0|1,1,0]=4 899 B9R1.21 N#CC1=CC=C(CBr)S1 B42220 [0,2,0,0,0,0|1,1,0]=4 900 B9R1.21 O=CC1=CC=C(C=O)O1 F65460 [0,2,0,0,0,0|0,1,1]=4 901 B9R1.21 O=CC1=CC=C(CO)N1 H43148 [0,2,0,0,0,0|1,1,0]=4 902 B9R1.21 OCC1=CC=C(CO)O1 F69147 [0,2,0,0,0,0|0,1,0]=3 903 B9R1.22 CC1=C(CCl)OC(=O)O1 C39175 [0,2,0,0,0,0|2,0,0]=4 904 B9R1.22 CC1=C(CO)OC(=O)O1 H32111 [0,2,0,0,0,0|1,1,0]=4 905 B9R1.35 CC1=CC=C(B(O)O)O1 M4380 [0,2,0,0,0,0|1,1,0]=4 906 B9R1.35 CC1=CC=C(C(=O)O)O1 M38051 [0,2,0,0,0,0|0,1,1]=4 907 B9R1.35 NC(=O)C1=CC(Br)=CO1 B40829 [0,2,0,0,0,0|0,1,1]=4 908 B9R1.35 O=C(O)C1=CC(Br)=CO1 B13536 [0,2,0,0,0,0|0,1,1]=4 909 B9R1.35 O=C(O)C1=CC=C(Br)O1 B4712 [0,2,0,0,0,0|0,1,1]=4 910 B9R1.35 O=C(O)C1=CC=C(Cl)O1 C40690 [0,2,0,0,0,0|0,1,1]=4 911 B9R1.132 CC1=CC=C(CN)N1C A13529 [0,2,0,0,0,0|2,0,0]=4 912 B9R1.11 COC(=O)C1=CC=CO1 M39270 [0,2,0,0,0,0|0,1,1]=4 913 B9R1.11 NNC(=O)C1=CC=CO1 F66138 [0,2,0,0,0,0|0,1,1]=4 914 B9R1.11 N[C@@H](CO)C1=CC=CS1 A43554 [0,2,0,0,0,0|0,2,0]=4 915 B9R1.11 O=C(CBr)C1=CC=CS1 B42721 [0,2,0,0,0,0|1,1,0]=4 916 B9R1.41 CC1=C(C(=O)O)OC=C1 M42945 [0,2,0,0,0,0|0,1,1]=4 917 B9R1.41 O=C(O)C1=C(Br)C=CO1 B40689 [0,2,0,0,0,0|0,1,1]=4 918 B9R1.12 CCOCC1=CC=CO1 E38338 [0,2,0,0,0,0|0,1,0]=3 919 B9R1.12 ICCCC1=CC=CS1 K46278 [0,2,0,0,0,0|1,1,0]=4 920 B9R1.12 O=CC=CC1=CC=CO1 F45509 [0,2,0,0,0,0|0,1,1]=4 921 B9R1.12 O=C\C=C\C1=CC=CO1 F45510 [0,2,0,0,0,0|0,1,1]=4 922 B9R1.12 OCCCC1=CC=CS1 T36724 [0,2,0,0,0,0|0,2,0]=4 923 B9R1.13 O=C(Cl)CC1=CC=CS1 T39261 [0,2,0,0,0,0|0,2,0]=4 924 B9R1.13 O=C(O)CC1=CC=CO1 F42944 [0,2,0,0,0,0|0,1,0]=3 925 B9R1.13 O=C(O)CC1=CC=CS1 T12816 [0,2,0,0,0,0|0,2,0]=4 926 B9R1.33 CCOC1=C(C)N=CO1 E43381 [0,2,0,0,0,0|2,0,0]=4 927 B9R1.14 COC1=C(C=O)OC=C1 M6472 [0,2,0,0,0,0|0,1,1]=4 928 B7R1.3 OC1=NC=CC=C1 P61113 [0,0,1,1,0,0|2,0,0]=4 929 B9R2.50 C1=CC2=C(C=C1)CC2 B68912 [0,0,0,1,0,1|2,0,0]=4 930 B9R2.3 C1=CC2=C(C=CS2)S1 T4822 [0,1,0,1,0,0|0,1,1]=4