0 B6R1.2 BrC1=CC=CO1 067357 [0,0,0,0,0,0|1,0,0]=1 1 B6R1.2 BrC1=CC=CS1 001055 [0,0,0,0,0,0|1,1,0]=2 2 B6R1.2 BrC1=CNC=N1 047684 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 BrC1=CNN=C1 036347 [0,0,0,0,0,0|4,0,0]=4 4 B6R1.2 BrC1=COC=C1 013445 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 BrC1=CSC=C1 003082 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 BrC1=CSC=N1 016178 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 BrC1=NC=CS1 021802 [0,0,0,0,0,0|2,1,0]=3 8 B6R1.2 BrC1=NN=CS1 046500 [0,0,0,0,0,0|3,1,0]=4 9 B6R1.2 BrC1=NNC=C1 079925 [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 BrC1=NNC=N1 078424 [0,0,0,0,0,0|4,0,0]=4 11 B6R1.2 CC1=CC=CN1 214609 [0,0,0,0,0,0|1,0,0]=1 12 B6R1.2 CC1=CC=CO1 463359 [0,0,0,0,0,0|0,0,0]=0 13 B6R1.2 CC1=CC=CS1 001209 [0,0,0,0,0,0|0,1,0]=1 14 B6R1.2 CC1=CCCC1 103763 [0,0,0,0,0,0|1,0,2]=3 15 B6R1.2 CC1=CNC=N1 078608 [0,0,0,0,0,0|2,0,0]=2 16 B6R1.2 CC1=CNN=C1 043307 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 CC1=COC=N1 224056 [0,0,0,0,0,0|2,0,0]=2 18 B6R1.2 CC1=CSC=C1 003448 [0,0,0,0,0,0|2,0,0]=2 19 B6R1.2 CC1=CSC=N1 002765 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.2 CC1=NC=CN1 157400 [0,0,0,0,0,0|2,0,0]=2 21 B6R1.2 CC1=NCCN1 103446 [0,0,0,0,0,0|2,0,2]=4 22 B6R1.2 CC1=NCCO1 099141 [0,0,0,0,0,0|1,0,2]=3 23 B6R1.2 CC1=NNC=C1 033183 [0,0,0,0,0,0|2,0,0]=2 24 B6R1.2 CC1=NNN=N1 245747 [0,0,0,0,0,0|4,0,0]=4 25 B6R1.2 CC1CCCO1 094054 [0,0,0,0,0,0|0,0,4]=4 26 B6R1.2 CN1C=CC=C1 044896 [0,0,0,0,0,0|2,0,0]=2 27 B6R1.2 CN1C=CC=N1 046854 [0,0,0,0,0,0|2,0,0]=2 28 B6R1.2 CN1C=CN=C1 005002 [0,0,0,0,0,0|3,0,0]=3 29 B6R1.2 CN1C=CN=C1 245803 [0,0,0,0,0,0|3,0,0]=3 30 B6R1.2 CN1C=NC=N1 043664 [0,0,0,0,0,0|3,0,0]=3 31 B6R1.2 ClC1=CC=CS1 002954 [0,0,0,0,0,0|1,1,0]=2 32 B6R1.2 ClC1=CNN=C1 026202 [0,0,0,0,0,0|4,0,0]=4 33 B6R1.2 ClC1=CSC=C1 001747 [0,0,0,0,0,0|3,0,0]=3 34 B6R1.2 ClC1=NNC=N1 227936 [0,0,0,0,0,0|4,0,0]=4 35 B6R1.2 IC1=CC=CS1 001058 [0,0,0,0,0,0|1,1,0]=2 36 B6R1.2 IC1=CNC=N1 067394 [0,0,0,0,0,0|3,0,0]=3 37 B6R1.2 IC1=CNN=C1 005458 [0,0,0,0,0,0|4,0,0]=4 38 B6R1.2 IC1=CSC=C1 079489 [0,0,0,0,0,0|3,0,0]=3 39 B6R1.2 IC1=NNC=C1 046994 [0,0,0,0,0,0|3,0,0]=3 40 B6R1.2 NC1=CNN=C1 043675 [0,0,0,0,0,0|4,0,0]=4 41 B6R1.2 NC1=CSC=C1 049735 [0,0,0,0,0,0|3,0,0]=3 42 B6R1.2 NC1=NC=CN1 013113 [0,0,0,0,0,0|3,0,0]=3 43 B6R1.2 NC1=NC=CN1 076511 [0,0,0,0,0,0|3,0,0]=3 44 B6R1.2 NC1=NC=CO1 043635 [0,0,0,0,0,0|2,0,0]=2 45 B6R1.2 NC1=NC=CS1 078568 [0,0,0,0,0,0|2,1,0]=3 46 B6R1.2 NC1=NC=NS1 013903 [0,0,0,0,0,0|3,1,0]=4 47 B6R1.2 NC1=NN=CS1 064997 [0,0,0,0,0,0|3,1,0]=4 48 B6R1.2 NC1=NNC=C1 035587 [0,0,0,0,0,0|3,0,0]=3 49 B6R1.2 NC1=NNC=N1 080352 [0,0,0,0,0,0|4,0,0]=4 50 B6R1.2 NC1=NOC=C1 064896 [0,0,0,0,0,0|3,0,0]=3 51 B6R1.2 NC1CC=CC1 011352 [0,0,0,0,0,0|2,0,2]=4 52 B6R1.2 NN1C=CC=C1 105200 [0,0,0,0,0,0|3,0,0]=3 53 B6R1.2 O=C1C=CCC1 049816 [0,0,0,0,0,0|2,0,1]=3 54 B6R1.2 O=C1C=CCO1 095003 [0,0,0,0,0,0|1,0,1]=2 55 B6R1.2 O=C1CS[Ca]O1 095807 [0,0,0,0,0,0|3,0,1]=4 56 B6R1.2 O=C1NCCO1 216566 [0,0,0,0,0,0|2,0,2]=4 57 B6R1.2 O=C1OCCO1 094510 [0,0,0,0,0,0|2,0,2]=4 58 B6R1.2 OC1CC=CC1 011661 [0,0,0,0,0,0|2,0,2]=4 59 B6R1.2 S=C1NC=CS1 180040 [0,0,0,0,0,0|2,1,0]=3 60 B6R1.2 SC1=CC=CS1 018767 [0,0,0,0,0,0|1,1,0]=2 61 B6R1.2 SC1=NNC=N1 037233 [0,0,0,0,0,0|4,0,0]=4 62 B6R1.2 SC1=NNC=N1 152700 [0,0,0,0,0,0|4,0,0]=4 63 B5R1.1 C1=CCCC1 520876 [1,0,0,0,0,0|1,0,2]=4 64 B5R1.1 C1=CCNC1 013932 [1,0,0,0,0,0|1,0,2]=4 65 B5R1.1 C1=CNC=C1 034290 [1,0,0,0,0,0|1,0,0]=2 66 B5R1.1 C1=CNC=N1 021690 [1,0,0,0,0,0|2,0,0]=3 67 B5R1.1 C1=CNC=N1 104823 [1,0,0,0,0,0|2,0,0]=3 68 B5R1.1 C1=CNC=N1 222516 [1,0,0,0,0,0|2,0,0]=3 69 B5R1.1 C1=CNN=C1 032730 [1,0,0,0,0,0|2,0,0]=3 70 B5R1.1 C1=CNN=N1 094533 [1,0,0,0,0,0|3,0,0]=4 71 B5R1.1 C1=COC=C1 098439 [1,0,0,0,0,0|0,0,0]=1 72 B5R1.1 C1=COC=N1 091888 [1,0,0,0,0,0|1,0,0]=2 73 B5R1.1 C1=COCC1 051266 [1,0,0,0,0,0|0,0,2]=3 74 B5R1.1 C1=CON=C1 076552 [1,0,0,0,0,0|1,0,0]=2 75 B5R1.1 C1=CSC=C1 032744 [1,0,0,0,0,0|0,1,0]=2 76 B5R1.1 C1=CSC=N1 002766 [1,0,0,0,0,0|1,1,0]=3 77 B5R1.1 C1=CSN=C1 046382 [1,0,0,0,0,0|1,1,0]=3 78 B5R1.1 C1=NC=NN1 043890 [1,0,0,0,0,0|3,0,0]=4 79 B5R1.1 C1=NC=N[N-]1 386742 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.1 C(=O)C1=CC=CS1 003419 [0,1,0,0,0,0|0,1,1]=3 81 B7R1.1 CCC1=CC=CN1 002567 [0,1,0,0,0,0|1,0,0]=2 82 B7R1.1 CCC1=CC=CS1 001177 [0,1,0,0,0,0|0,1,0]=2 83 B7R1.1 CCC1=CSC=C1 006141 [0,1,0,0,0,0|2,0,0]=3 84 B7R1.1 CCC1=NC=CN1 018684 [0,1,0,0,0,0|2,0,0]=3 85 B7R1.1 CCC1=NCCO1 336609 [0,1,0,0,0,0|1,0,2]=4 86 B7R1.1 CCN1C=CC=C1 002566 [0,1,0,0,0,0|2,0,0]=3 87 B7R1.1 CCN1C=CC=N1 068645 [0,1,0,0,0,0|2,0,0]=3 88 B7R1.1 CCN1C=CN=C1 078976 [0,1,0,0,0,0|3,0,0]=4 89 B7R1.1 COC1=CSC=C1 013627 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.1 COC1=NC=CS1 009621 [0,1,0,0,0,0|1,1,0]=3 91 B7R1.1 CSC1=NC=CS1 009622 [0,1,0,0,0,0|1,1,0]=3 92 B7R1.1 CSC1=NN=CN1 009887 [0,1,0,0,0,0|3,0,0]=4 93 B7R1.1 ClCC1=CNC=N1 016135 [0,1,0,0,0,0|2,0,0]=3 94 B7R1.1 ClCC1=CSC=N1 013925 [0,1,0,0,0,0|2,0,0]=3 95 B7R1.1 ClCC1=NC=CN1 023425 [0,1,0,0,0,0|2,0,0]=3 96 B7R1.1 N#CC1=CC=CN1 024315 [0,1,0,0,0,0|1,0,1]=3 97 B7R1.1 N#CC1=CC=CS1 008056 [0,1,0,0,0,0|0,1,1]=3 98 B7R1.1 N#CC1=CNC=N1 049353 [0,1,0,0,0,0|2,0,1]=4 99 B7R1.1 N#CC1=CSC=C1 049749 [0,1,0,0,0,0|2,0,1]=4 100 B7R1.1 N#CC1=NC=CN1 234256 [0,1,0,0,0,0|2,0,1]=4 101 B7R1.1 NCC1=CC=CO1 358202 [0,1,0,0,0,0|0,0,0]=1 102 B7R1.1 NCC1=CC=CS1 092186 [0,1,0,0,0,0|0,1,0]=2 103 B7R1.1 NCC1=CN=CO1 076442 [0,1,0,0,0,0|1,0,0]=2 104 B7R1.1 NCC1=COC=N1 219245 [0,1,0,0,0,0|2,0,0]=3 105 B7R1.1 NCC1=NC=CS1 013114 [0,1,0,0,0,0|1,1,0]=3 106 B7R1.1 NCC1=NNC=C1 043021 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.1 O=CC1=CC=CN1 043867 [0,1,0,0,0,0|1,0,1]=3 108 B7R1.1 O=CC1=CC=CO1 053252 [0,1,0,0,0,0|0,0,1]=2 109 B7R1.1 O=CC1=CC=CO1 104085 [0,1,0,0,0,0|0,0,1]=2 110 B7R1.1 O=CC1=CC=NN1 046433 [0,1,0,0,0,0|2,0,1]=4 111 B7R1.1 O=CC1=CN=CS1 016172 [0,1,0,0,0,0|1,1,1]=4 112 B7R1.1 O=CC1=CNC=N1 065293 [0,1,0,0,0,0|2,0,1]=4 113 B7R1.1 O=CC1=CSC=C1 045073 [0,1,0,0,0,0|2,0,1]=4 114 B7R1.1 O=CC1=CSC=N1 016171 [0,1,0,0,0,0|2,0,1]=4 115 B7R1.1 O=CC1=NC=CN1 011781 [0,1,0,0,0,0|2,0,1]=4 116 B7R1.1 O=CC1=NC=CS1 046294 [0,1,0,0,0,0|1,1,1]=4 117 B7R1.1 OCC1=CC=CO1 143000 [0,1,0,0,0,0|0,0,0]=1 118 B7R1.1 OCC1=CC=CS1 208652 [0,1,0,0,0,0|0,1,0]=2 119 B7R1.1 OCC1=CN=CS1 016175 [0,1,0,0,0,0|1,1,0]=3 120 B7R1.1 OCC1=CNC=N1 016121 [0,1,0,0,0,0|2,0,0]=3 121 B7R1.1 OCC1=CNC=N1 067734 [0,1,0,0,0,0|2,0,0]=3 122 B7R1.1 OCC1=COC=C1 092657 [0,1,0,0,0,0|2,0,0]=3 123 B7R1.1 OCC1=CSC=C1 067714 [0,1,0,0,0,0|2,0,0]=3 124 B7R1.1 OCC1=CSC=N1 016174 [0,1,0,0,0,0|2,0,0]=3 125 B7R1.1 OCC1=NC=CS1 067720 [0,1,0,0,0,0|1,1,0]=3 126 B7R1.1 OCN1C=CC=N1 078295 [0,1,0,0,0,0|2,0,0]=3 127 B7R1.1 SCC1=CC=CO1 002796 [0,1,0,0,0,0|0,0,0]=1 128 B7R1.1 SCC1=CC=CS1 104865 [0,1,0,0,0,0|0,1,0]=2 129 B7R1.2 BrC1=CC=C(Br)S1 001056 [0,1,0,0,0,0|1,1,0]=3 130 B7R1.2 BrC1=CN=C(Br)S1 046206 [0,1,0,0,0,0|2,1,0]=4 131 B7R1.2 BrC1=CSC(Br)=N1 016251 [0,1,0,0,0,0|2,1,0]=4 132 B7R1.2 CC1=CC(=O)CC1 078668 [0,1,0,0,0,0|1,0,1]=3 133 B7R1.2 CC1=CC(Br)=CS1 022016 [0,1,0,0,0,0|0,1,0]=2 134 B7R1.2 CC1=CC(Br)=NN1 079115 [0,1,0,0,0,0|2,0,0]=3 135 B7R1.2 CC1=CC(C)=NN1 037857 [0,1,0,0,0,0|2,0,0]=3 136 B7R1.2 CC1=CC(C)=NO1 023218 [0,1,0,0,0,0|1,0,0]=2 137 B7R1.2 CC1=CC(N)=NN1 005985 [0,1,0,0,0,0|2,0,0]=3 138 B7R1.2 CC1=CC(N)=NO1 227902 [0,1,0,0,0,0|1,0,0]=2 139 B7R1.2 CC1=CC=C(Br)S1 024230 [0,1,0,0,0,0|0,1,0]=2 140 B7R1.2 CC1=CC=C(C)N1 236653 [0,1,0,0,0,0|1,0,0]=2 141 B7R1.2 CC1=CC=C(C)S1 002791 [0,1,0,0,0,0|0,1,0]=2 142 B7R1.2 CC1=CC=C(I)S1 002582 [0,1,0,0,0,0|0,1,0]=2 143 B7R1.2 CC1=CCC(=O)O1 098871 [0,1,0,0,0,0|0,0,1]=2 144 B7R1.2 CC1=CCC(=O)O1 107050 [0,1,0,0,0,0|0,0,1]=2 145 B7R1.2 CC1=CN=C(Br)S1 067363 [0,1,0,0,0,0|1,1,0]=3 146 B7R1.2 CC1=CN=C(N)S1 011366 [0,1,0,0,0,0|1,1,0]=3 147 B7R1.2 CC1=CNC(Br)=N1 222056 [0,1,0,0,0,0|2,0,0]=3 148 B7R1.2 CC1=CNC(C)=N1 078094 [0,1,0,0,0,0|2,0,0]=3 149 B7R1.2 CC1=COC(N)=N1 016110 [0,1,0,0,0,0|2,0,0]=3 150 B7R1.2 CC1=CSC(Br)=N1 016134 [0,1,0,0,0,0|2,0,0]=3 151 B7R1.2 CC1=CSC(C)=N1 002760 [0,1,0,0,0,0|1,1,0]=3 152 B7R1.2 CC1=CSC(N)=N1 023295 [0,1,0,0,0,0|2,0,0]=3 153 B7R1.2 CC1=NC(Br)=CN1 209279 [0,1,0,0,0,0|2,0,0]=3 154 B7R1.2 CC1=NC=C(I)N1 077607 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.2 CC1=NN(C)C=C1 038245 [0,1,0,0,0,0|2,0,0]=3 156 B7R1.2 CC1=NN=C(Br)S1 024525 [0,1,0,0,0,0|2,1,0]=4 157 B7R1.2 CC1=NN=C(N)N1 009886 [0,1,0,0,0,0|3,0,0]=4 158 B7R1.2 CC1=NN=C(N)O1 009900 [0,1,0,0,0,0|2,0,0]=3 159 B7R1.2 CC1=NN=C(N)S1 013407 [0,1,0,0,0,0|2,1,0]=4 160 B7R1.2 CC1=NN=C(S)S1 068973 [0,1,0,0,0,0|2,1,0]=4 161 B7R1.2 CC1=NNC(=O)C1 077205 [0,1,0,0,0,0|2,0,1]=4 162 B7R1.2 CC1=NNC(=S)S1 184250 [0,1,0,0,0,0|2,1,0]=4 163 B7R1.2 CC1=NNC(C)=N1 233300 [0,1,0,0,0,0|3,0,0]=4 164 B7R1.2 CC1=NSC(N)=C1 021671 [0,1,0,0,0,0|2,0,0]=3 165 B7R1.2 CC1=NSC(N)=N1 009666 [0,1,0,0,0,0|3,0,0]=4 166 B7R1.2 CC1CCC(=O)O1 243089 [0,1,0,0,0,0|0,0,3]=4 167 B7R1.2 CC1COC(=O)O1 044922 [0,1,0,0,0,0|1,0,2]=4 168 B7R1.2 CN1C=C(Br)C=N1 033223 [0,1,0,0,0,0|2,0,0]=3 169 B7R1.2 CN1C=C(I)C=N1 067375 [0,1,0,0,0,0|2,0,0]=3 170 B7R1.2 CN1C=C(N)C=N1 030187 [0,1,0,0,0,0|2,0,0]=3 171 B7R1.2 CN1C=CC(Br)=N1 093190 [0,1,0,0,0,0|2,0,0]=3 172 B7R1.2 CN1C=CC(Cl)=N1 044766 [0,1,0,0,0,0|2,0,0]=3 173 B7R1.2 CN1C=CC(I)=N1 047530 [0,1,0,0,0,0|2,0,0]=3 174 B7R1.2 CN1C=CC(N)=N1 025069 [0,1,0,0,0,0|2,0,0]=3 175 B7R1.2 C[C@@H]1COC(=O)O1 237778 [0,1,0,0,0,0|1,0,2]=4 176 B7R1.2 ClC1=CC=C(Cl)S1 002955 [0,1,0,0,0,0|1,1,0]=3 177 B7R1.2 ClC1=CN=C(Br)S1 077385 [0,1,0,0,0,0|2,1,0]=4 178 B7R1.2 ClC1=CSC(Cl)=N1 079363 [0,1,0,0,0,0|2,1,0]=4 179 B7R1.2 NC1=CC(Br)=NN1 079692 [0,1,0,0,0,0|3,0,0]=4 180 B7R1.2 NC1=CSC(N)=N1 223229 [0,1,0,0,0,0|2,1,0]=4 181 B7R1.2 NC1=NC(Br)=CS1 076229 [0,1,0,0,0,0|2,1,0]=4 182 B7R1.2 NC1=NC(O)=CS1 319245 [0,1,0,0,0,0|2,1,0]=4 183 B7R1.2 NC1=NC=C(Br)S1 013397 [0,1,0,0,0,0|2,1,0]=4 184 B7R1.2 NC1=NNC(O)=C1 064901 [0,1,0,0,0,0|3,0,0]=4 185 B7R1.2 O=C1C=CC(=O)N1 011793 [0,1,0,0,0,0|2,0,0]=3 186 B7R1.2 O=C1C=CC(=O)O1 101524 [0,1,0,0,0,0|1,0,0]=2 187 B7R1.2 O=C1C=CC(=O)O1 241019 [0,1,0,0,0,0|1,0,0]=2 188 B7R1.2 O=C1CCC(=O)O1 339548 [0,1,0,0,0,0|1,0,2]=4 189 B7R1.4 BrC1=C(Br)SC=C1 024261 [0,1,0,0,0,0|1,1,0]=3 190 B7R1.4 BrC1=CNN=C1Br 104589 [0,1,0,0,0,0|3,0,0]=4 191 B7R1.4 BrC1=CSC=C1Br 001057 [0,1,0,0,0,0|3,0,0]=4 192 B7R1.4 CC1=C(Br)NC=N1 209278 [0,1,0,0,0,0|2,0,0]=3 193 B7R1.4 CC1=C(Br)SC=C1 013451 [0,1,0,0,0,0|1,1,0]=3 194 B7R1.4 CC1=C(C)SC=N1 002761 [0,1,0,0,0,0|1,1,0]=3 195 B7R1.4 CC1=C(Cl)SC=C1 024249 [0,1,0,0,0,0|1,1,0]=3 196 B7R1.4 CC1=CC=NN1C 026155 [0,1,0,0,0,0|2,0,0]=3 197 B7R1.4 CC1=CNN=C1O 312908 [0,1,0,0,0,0|3,0,0]=4 198 B7R1.4 CC1=CSC=C1Br 024231 [0,1,0,0,0,0|2,0,0]=3 199 B7R1.4 CC1=NC=CN1C 093937 [0,1,0,0,0,0|2,0,0]=3 200 B7R1.4 CC1=NNC=C1Br 064560 [0,1,0,0,0,0|2,0,0]=3 201 B7R1.4 CC1=NNC=C1I 093372 [0,1,0,0,0,0|2,0,0]=3 202 B7R1.4 CN1C=CN=C1I 216361 [0,1,0,0,0,0|3,0,0]=4 203 B7R1.4 CN1C=CNC1=S 322149 [0,1,0,0,0,0|3,0,0]=4 204 B7R1.4 CN1N=CC=C1N 030129 [0,1,0,0,0,0|2,0,0]=3 205 B7R1.4 ClC1=C(Cl)NC=N1 208842 [0,1,0,0,0,0|3,0,0]=4 206 B7R1.4 ClC1=C(Cl)SC=C1 024868 [0,1,0,0,0,0|1,1,0]=3 207 B7R1.4 IC1=C(I)NC=N1 067398 [0,1,0,0,0,0|3,0,0]=4 208 B7R1.4 NC1=CSC=C1N 225299 [0,1,0,0,0,0|3,0,0]=4 209 B7R1.4 NC1=NNC=C1Br 005504 [0,1,0,0,0,0|3,0,0]=4 210 B7R1.4 NC1=NNC=C1I 046978 [0,1,0,0,0,0|3,0,0]=4 211 B5R0.1 C=C(C)CCBr 223736 [0,0,1,0,0,0|2,0,1]=4 212 B5R0.1 C=C(C)CCO 358461 [0,0,1,0,0,0|2,0,1]=4 213 B5R0.1 C=C(C)OCC 471668 [0,0,1,0,0,0|0,0,2]=3 214 B5R0.1 C=CCC(C)C 106337 [0,0,1,0,0,0|1,0,2]=4 215 B5R0.1 C=COC(C)=O 098012 [0,0,1,0,0,0|1,0,0]=2 216 B5R0.1 CC(C)=CC=O 386384 [0,0,1,0,0,0|2,0,0]=3 217 B5R0.1 CC(C)=CCBr 053316 [0,0,1,0,0,0|2,0,1]=4 218 B5R0.1 CC(C)=CCCl 349314 [0,0,1,0,0,0|2,0,1]=4 219 B5R0.1 CC(C)=CCO 358414 [0,0,1,0,0,0|2,0,1]=4 220 B5R0.1 CCOC(C)=N 239394 [0,0,1,0,0,0|1,0,2]=4 221 B5R0.1 CCOC(C)=O 035909 [0,0,1,0,0,0|1,0,2]=4 222 B5R0.1 CCOC(C)=O 099553 [0,0,1,0,0,0|1,0,2]=4 223 B5R0.1 CCOC(C)=O 099895 [0,0,1,0,0,0|1,0,2]=4 224 B5R0.1 C\C=C\C(=O)Cl 358246 [0,0,1,0,0,0|1,0,2]=4 225 B5R0.1 C\C=C\C(=O)O 092792 [0,0,1,0,0,0|1,0,1]=3 226 B5R0.2 C=CCCC=C 106336 [0,0,1,0,0,0|1,0,2]=4 227 B5R0.2 C=CCCCC 098845 [0,0,1,0,0,0|1,0,2]=4 228 B5R0.2 C=CCCNC 104185 [0,0,1,0,0,0|2,0,1]=4 229 B5R0.2 C=CCNC=O 065354 [0,0,1,0,0,0|2,0,1]=4 230 B5R0.2 CCC\C=N\O 099610 [0,0,1,0,0,0|1,0,2]=4 231 B5R0.2 CC\C=C/CO 386381 [0,0,1,0,0,0|0,0,2]=3 232 B5R0.2 CC\C=C\C=O 466581 [0,0,1,0,0,0|0,0,2]=3 233 B5R0.2 CC\C=C\CBr 106316 [0,0,1,0,0,0|1,0,2]=4 234 B5R0.2 C\C=C\C=C\C 046824 [0,0,1,0,0,0|1,0,0]=2 235 B5R0.2 C\C=C\OCC 103024 [0,0,1,0,0,0|0,0,2]=3 236 B5R0.2 OC\C=C/CO 095819 [0,0,1,0,0,0|1,0,2]=4 237 B5R0.2 OC\C=C/CO 098937 [0,0,1,0,0,0|1,0,2]=4 238 B5R0.3 C=CC(=O)NN 094243 [0,0,1,0,0,0|3,0,0]=4 239 B5R0.3 C=CC(=O)OC 520477 [0,0,1,0,0,0|1,0,1]=3 240 B5R0.3 C=CC(C)C#N 106335 [0,0,1,0,0,0|2,0,1]=4 241 B5R0.3 C\C=C(/C)C=O 245796 [0,0,1,0,0,0|2,0,1]=4 242 B5R1.2 O=C1CCO1 167800 [0,0,0,0,1,0|1,0,2]=4 243 B7R1.3 BN1=CC=CC=C1 044681 [0,0,0,0,0,1|3,0,0]=4 244 B7R1.3 BrC1=CC=CC=C1 BR1026 [0,0,0,0,0,1|2,0,0]=3 245 B7R1.3 BrC1=CC=CN=C1 008797 [0,0,0,0,0,1|2,0,0]=3 246 B7R1.3 BrC1=CC=NC=C1 045184 [0,0,0,0,0,1|2,0,0]=3 247 B7R1.3 BrC1=CN=CC=N1 049757 [0,0,0,0,0,1|2,0,0]=3 248 B7R1.3 BrC1=CN=CN=C1 036376 [0,0,0,0,0,1|3,0,0]=4 249 B7R1.3 BrC1=NC=CC=C1 036222 [0,0,0,0,0,1|2,0,0]=3 250 B7R1.3 BrC1=NC=CC=N1 036373 [0,0,0,0,0,1|2,0,0]=3 251 B7R1.3 BrC1=NN=CC=C1 078228 [0,0,0,0,0,1|2,0,0]=3 252 B7R1.3 CC1=CC=CC=C1 035922 [0,0,0,0,0,1|1,0,0]=2 253 B7R1.3 CC1=CC=CC=C1 046885 [0,0,0,0,0,1|1,0,0]=2 254 B7R1.3 CC1=CC=CC=C1 099899 [0,0,0,0,0,1|1,0,0]=2 255 B7R1.3 CC1=CC=CC=C1 102149 [0,0,0,0,0,1|1,0,0]=2 256 B7R1.3 CC1=CC=CN=C1 235657 [0,0,0,0,0,1|1,0,0]=2 257 B7R1.3 CC1=CC=CN=N1 236526 [0,0,0,0,0,1|1,0,0]=2 258 B7R1.3 CC1=CC=NC=C1 094587 [0,0,0,0,0,1|1,0,0]=2 259 B7R1.3 CC1=CCCCC1 098887 [0,0,0,0,0,1|1,0,2]=4 260 B7R1.3 CC1=CN=CN=C1 040003 [0,0,0,0,0,1|2,0,0]=3 261 B7R1.3 CC1=NC=CC=C1 235658 [0,0,0,0,0,1|1,0,0]=2 262 B7R1.3 CC1=NC=CN=C1 002726 [0,0,0,0,0,1|1,0,0]=2 263 B7R1.3 CC1=NC=NC=C1 045243 [0,0,0,0,0,1|1,0,0]=2 264 B7R1.3 ClC1=CC=CC=C1 044613 [0,0,0,0,0,1|2,0,0]=3 265 B7R1.3 ClC1=CC=CC=C1 101617 [0,0,0,0,0,1|2,0,0]=3 266 B7R1.3 ClC1=CC=CN=C1 045189 [0,0,0,0,0,1|2,0,0]=3 267 B7R1.3 ClC1=CC=NC=C1 045187 [0,0,0,0,0,1|2,0,0]=3 268 B7R1.3 ClC1=NC=CC=C1 044502 [0,0,0,0,0,1|2,0,0]=3 269 B7R1.3 ClC1=NC=CC=N1 036368 [0,0,0,0,0,1|2,0,0]=3 270 B7R1.3 ClC1=NC=CN=C1 002754 [0,0,0,0,0,1|2,0,0]=3 271 B7R1.3 FC1=CC=CC=C1 001699 [0,0,0,0,0,1|2,0,0]=3 272 B7R1.3 FC1=CC=CN=C1 001298 [0,0,0,0,0,1|2,0,0]=3 273 B7R1.3 FC1=CC=NC=C1 049831 [0,0,0,0,0,1|2,0,0]=3 274 B7R1.3 FC1=CN=CC=N1 050271 [0,0,0,0,0,1|2,0,0]=3 275 B7R1.3 FC1=NC=CC=C1 001297 [0,0,0,0,0,1|2,0,0]=3 276 B7R1.3 IC1=CC=CC=C1 003461 [0,0,0,0,0,1|2,0,0]=3 277 B7R1.3 IC1=CC=CN=C1 008065 [0,0,0,0,0,1|2,0,0]=3 278 B7R1.3 IC1=CC=NC=C1 019463 [0,0,0,0,0,1|2,0,0]=3 279 B7R1.3 IC1=CN=CC=N1 236553 [0,0,0,0,0,1|2,0,0]=3 280 B7R1.3 IC1=NC=CC=C1 067334 [0,0,0,0,0,1|2,0,0]=3 281 B7R1.3 NC1=CC=CC=C1 044723 [0,0,0,0,0,1|2,0,0]=3 282 B7R1.3 NC1=CC=CC=C1 098809 [0,0,0,0,0,1|2,0,0]=3 283 B7R1.3 NC1=CC=CC=C1 228177 [0,0,0,0,0,1|2,0,0]=3 284 B7R1.3 NC1=CC=CN=C1 003677 [0,0,0,0,0,1|2,0,0]=3 285 B7R1.3 NC1=CC=CN=N1 064947 [0,0,0,0,0,1|2,0,0]=3 286 B7R1.3 NC1=CC=NC=C1 047207 [0,0,0,0,0,1|2,0,0]=3 287 B7R1.3 NC1=CC=NC=C1 180633 [0,0,0,0,0,1|2,0,0]=3 288 B7R1.3 NC1=CC=NC=N1 013417 [0,0,0,0,0,1|2,0,0]=3 289 B7R1.3 NC1=CN=CN=C1 046263 [0,0,0,0,0,1|3,0,0]=4 290 B7R1.3 NC1=NC=CC=C1 050259 [0,0,0,0,0,1|2,0,0]=3 291 B7R1.3 NC1=NC=CC=N1 036344 [0,0,0,0,0,1|2,0,0]=3 292 B7R1.3 NC1=NC=CN=C1 043480 [0,0,0,0,0,1|2,0,0]=3 293 B7R1.3 NC1=NC=CN=N1 045802 [0,0,0,0,0,1|3,0,0]=4 294 B7R1.3 NC1=NN=CC=C1 078256 [0,0,0,0,0,1|2,0,0]=3 295 B7R1.3 N[N+]1=CC=CC=C1 091999 [0,0,0,0,0,1|3,0,0]=4 296 B7R1.3 O=C1C=CC=CN1 338426 [0,0,0,0,0,1|2,0,0]=3 297 B7R1.3 O=C1C=CCCC1 040004 [0,0,0,0,0,1|2,0,1]=4 298 B7R1.3 OC1=CC=CC=C1 098645 [0,0,0,0,0,1|2,0,0]=3 299 B7R1.3 OC1=CC=CC=C1 101882 [0,0,0,0,0,1|2,0,0]=3 300 B7R1.3 OC1=CC=CC=C1 102467 [0,0,0,0,0,1|2,0,0]=3 301 B7R1.3 OC1=CC=CN=C1 045225 [0,0,0,0,0,1|2,0,0]=3 302 B7R1.3 OC1=CC=NC=C1 045193 [0,0,0,0,0,1|2,0,0]=3 303 B7R1.3 OC1=CC=NN=C1 077229 [0,0,0,0,0,1|3,0,0]=4 304 B7R1.3 OC1=NC=CC=C1 003423 [0,0,0,0,0,1|2,0,0]=3 305 B7R1.3 OC1=NC=CC=N1 147200 [0,0,0,0,0,1|2,0,0]=3 306 B7R1.3 OC1=NC=CN=C1 076215 [0,0,0,0,0,1|2,0,0]=3 307 B7R1.3 OC1=NC=NC=C1 068731 [0,0,0,0,0,1|2,0,0]=3 308 B7R1.3 PC1=CC=CC=C1 106038 [0,0,0,0,0,1|2,0,0]=3 309 B7R1.3 S=C1C=CC=NN1 180025 [0,0,0,0,0,1|2,0,0]=3 310 B7R1.3 SC1=CC=CC=C1 094667 [0,0,0,0,0,1|2,0,0]=3 311 B7R1.3 SC1=CC=NC=C1 358023 [0,0,0,0,0,1|2,0,0]=3 312 B7R1.3 SC1=NC=CC=C1 023265 [0,0,0,0,0,1|2,0,0]=3 313 B7R1.3 SC1=NC=CC=N1 036415 [0,0,0,0,0,1|2,0,0]=3 314 B7R1.3 [O-]C1=CC=CC=C1 180036 [0,0,0,0,0,1|2,0,0]=3 315 B7R1.3 [O-][N+]1=CC=CC=C1 045196 [0,0,0,0,0,1|3,0,0]=4 316 B7R1.3 [S-]C1=CC=CC=C1 303893 [0,0,0,0,0,1|2,0,0]=3 317 B7R1.3 [SiH3]C1=CC=CC=C1 S13600 [0,0,0,0,0,1|1,1,0]=3 318 B4R0.1 C=C(C)C=O 533380 [1,0,1,0,0,0|1,0,0]=3 319 B4R0.1 C=C(C)CBr 067665 [1,0,1,0,0,0|1,0,1]=4 320 B4R0.1 C=C(C)CCl 094695 [1,0,1,0,0,0|1,0,1]=4 321 B4R0.1 C=C(C)CO 358232 [1,0,1,0,0,0|1,0,1]=4 322 B4R0.1 C=C(C)CS 038481 [1,0,1,0,0,0|1,0,1]=4 323 B4R0.1 C=C(C)OC 032479 [1,0,1,0,0,0|0,0,1]=3 324 B4R0.1 C=CC(=O)O 099597 [1,0,1,0,0,0|1,0,0]=3 325 B4R0.1 C=CC(C)=O 099068 [1,0,1,0,0,0|0,0,1]=3 326 B4R0.1 C=CC(C)Cl 099655 [1,0,1,0,0,0|1,0,1]=4 327 B4R0.1 C=CC(C)O 099331 [1,0,1,0,0,0|0,0,1]=3 328 B4R0.1 C=CC(N)=O 047867 [1,0,1,0,0,0|1,0,1]=4 329 B4R0.1 C=CC(N)=O 104581 [1,0,1,0,0,0|1,0,1]=4 330 B4R0.1 CC(=O)C=O 069255 [1,0,1,0,0,0|1,0,1]=4 331 B4R0.1 CC(=O)OO 102863 [1,0,1,0,0,0|2,0,0]=4 332 B4R0.1 CC(=O)O[TlH2] 044421 [1,0,1,0,0,0|2,0,0]=4 333 B4R0.1 CC=C(C)C 102641 [1,0,1,0,0,0|0,0,2]=4 334 B4R0.1 COC(C)=O 098761 [1,0,1,0,0,0|1,0,1]=4 335 B4R0.1 O=CC(=O)O 095359 [1,0,1,0,0,0|2,0,0]=4 336 B4R0.2 C=CCCO 114900 [1,0,1,0,0,0|0,0,2]=4 337 B4R0.2 C=CCNC 069326 [1,0,1,0,0,0|1,0,1]=4 338 B4R0.2 C=CCON 471484 [1,0,1,0,0,0|1,0,1]=4 339 B4R0.2 C=CCSC 106338 [1,0,1,0,0,0|0,1,1]=4 340 B4R0.2 CCOC=N 099169 [1,0,1,0,0,0|1,0,1]=4 341 B4R0.2 CCOC=O 044728 [1,0,1,0,0,0|1,0,1]=4 342 B4R0.2 C\C=C\C#N 099018 [1,0,1,0,0,0|1,0,1]=4 343 B4R0.2 C\C=C\C=O 245633 [1,0,1,0,0,0|0,0,1]=3 344 B4R0.2 C\C=C\CBr 103776 [1,0,1,0,0,0|1,0,1]=4 345 B4R0.2 C\C=C\CO 103771 [1,0,1,0,0,0|0,0,1]=3 346 B6R0.1 C=CCC(=O)OC 513980 [0,1,1,0,0,0|0,0,2]=4 347 B6R0.1 C=COC(=O)CC 005111 [0,1,1,0,0,0|1,0,0]=3 348 B6R0.1 COC(=O)\C=C\[O-] 102950 [0,1,1,0,0,0|1,0,1]=4 349 B6R0.1 C\C=C\C(=O)OC 236942 [0,1,1,0,0,0|0,0,2]=4 350 B6R0.2 C=C(C)C=C(C)C 104537 [0,1,1,0,0,0|1,0,0]=3 351 B6R0.2 C=C(C)OC(C)=O 101993 [0,1,1,0,0,0|0,0,1]=3 352 B6R0.2 CC(=O)C=C(C)C 098815 [0,1,1,0,0,0|0,0,2]=4 353 B6R0.2 CC(=O)OC(C)=O 035908 [0,1,1,0,0,0|1,0,1]=4 354 B6R0.2 CC(=O)OC(C)=O 099749 [0,1,1,0,0,0|1,0,1]=4 355 B6R0.2 CC(=O)\C=C(\C)[O-] 095827 [0,1,1,0,0,0|0,0,2]=4 356 B6R0.2 CC(=O)\C=C(\C)[O-] 102213 [0,1,1,0,0,0|0,0,2]=4 357 B6R0.2 CC(=O)\C=C(\C)[O-] 103716 [0,1,1,0,0,0|0,0,2]=4 358 B6R0.2 CC(=O)\C=C(\C)[O-] 103741 [0,1,1,0,0,0|0,0,2]=4 359 B6R0.2 CC(=O)\C=C(\C)[O-] 415350 [0,1,1,0,0,0|0,0,2]=4 360 B6R0.2 CC(=O)\C=C(\C)[O-] 494110 [0,1,1,0,0,0|0,0,2]=4 361 B6R0.2 CC(=[OH+])C=C(C)O 245745 [0,1,1,0,0,0|0,0,1]=3 362 B6R0.2 CC(C)=CC(=O)Cl 438394 [0,1,1,0,0,0|2,0,0]=4 363 B6R0.2 CC(C)=CC(=O)O 208603 [0,1,1,0,0,0|1,0,1]=4 364 B6R0.2 O=C(O)C=C(Cl)Cl 075588 [0,1,1,0,0,0|2,0,0]=4 365 B6R0.3 C=CC(=O)N(C)C 046781 [0,1,1,0,0,0|2,0,0]=4 366 B6R0.3 C=CN(C)C(C)=O 235676 [0,1,1,0,0,0|1,0,1]=4 367 B6R0.3 C\C=C(/C)C(=O)O 099810 [0,1,1,0,0,0|1,0,1]=4 368 B6R0.4 C(CC)=CC(=O)O 001396 [0,1,1,0,0,0|1,0,1]=4 369 B6R0.4 C=CCCC(=O)O 002777 [0,1,1,0,0,0|1,0,1]=4 370 B6R0.4 C=CCCC(C)=O 358446 [0,1,1,0,0,0|0,0,2]=4 371 B6R0.4 C=CCNC(C)=O 103870 [0,1,1,0,0,0|0,0,2]=4 372 B6R0.4 C=CCOC(=O)Cl 099832 [0,1,1,0,0,0|2,0,0]=4 373 B6R0.4 C=CCOC(C)=O 099570 [0,1,1,0,0,0|1,0,0]=3 374 B6R0.4 C=COCC(C)C 103137 [0,1,1,0,0,0|0,0,2]=4 375 B6R0.4 CN(C)\C=C\C=O 044782 [0,1,1,0,0,0|2,0,0]=4 376 B6R0.4 CO\C=C\C(C)=O 099154 [0,1,1,0,0,0|0,0,2]=4 377 B6R0.6 C=CCOCCO 099544 [0,1,1,0,0,0|0,0,2]=4 378 B6R0.6 CCC\C=C\C=O 098868 [0,1,1,0,0,0|0,0,2]=4 379 B6R0.6 CCO\C=C\C#N 106435 [0,1,1,0,0,0|0,0,2]=4 380 B6R0.6 CC\C=C/CCO 240925 [0,1,1,0,0,0|0,0,2]=4 381 B6R0.6 C\C=C\C=C\C=O 242913 [0,1,1,0,0,0|0,0,1]=3 382 B6R0.6 C\C=C\CCCO 433438 [0,1,1,0,0,0|0,0,2]=4 383 B8R1.2 BrCC1=CC=CC=C1 003666 [0,1,0,0,0,1|1,0,0]=3 384 B8R1.2 BrCC1=CC=CN=C1 214585 [0,1,0,0,0,1|1,0,0]=3 385 B8R1.2 BrCC1=CC=NC=C1 067829 [0,1,0,0,0,1|1,0,0]=3 386 B8R1.2 BrCC1=NC=CC=C1 067831 [0,1,0,0,0,1|1,0,0]=3 387 B8R1.2 BrCC1=NC=NC=C1 231198 [0,1,0,0,0,1|1,0,0]=3 388 B8R1.2 Br[Mg]C1=CC=CC=C1 103487 [0,1,0,0,0,1|2,0,0]=4 389 B8R1.2 Br[Mg]C1=CC=CC=C1 214282 [0,1,0,0,0,1|2,0,0]=4 390 B8R1.2 C#CC1=CC=CC=C1 003009 [0,1,0,0,0,1|1,0,1]=4 391 B8R1.2 C#CC1=CC=CN=C1 080053 [0,1,0,0,0,1|1,0,1]=4 392 B8R1.2 C#CC1=CC=NC=C1 047652 [0,1,0,0,0,1|1,0,1]=4 393 B8R1.2 C#CC1=NC=CC=C1 078381 [0,1,0,0,0,1|1,0,1]=4 394 B8R1.2 C=CC1=CC=CC=C1 520455 [0,1,0,0,0,1|1,0,1]=4 395 B8R1.2 CCC1=CC=CC=C1 094632 [0,1,0,0,0,1|1,0,0]=3 396 B8R1.2 CCC1=CC=CC=N1 098941 [0,1,0,0,0,1|1,0,0]=3 397 B8R1.2 CCC1=CC=CN=C1 242838 [0,1,0,0,0,1|1,0,0]=3 398 B8R1.2 CCC1=CC=NC=C1 319885 [0,1,0,0,0,1|1,0,0]=3 399 B8R1.2 CCC1=NC=CN=C1 002727 [0,1,0,0,0,1|1,0,0]=3 400 B8R1.2 CC[N+]1=CC=CC=C1 046807 [0,1,0,0,0,1|2,0,0]=4 401 B8R1.2 CNC1=CC=CC=C1 094625 [0,1,0,0,0,1|1,0,0]=3 402 B8R1.2 CNC1=CC=CN=C1 079398 [0,1,0,0,0,1|1,0,0]=3 403 B8R1.2 CNC1=CC=NC=C1 208626 [0,1,0,0,0,1|1,0,0]=3 404 B8R1.2 CNC1=NC=CC=C1 233304 [0,1,0,0,0,1|1,0,0]=3 405 B8R1.2 COC1=CC=CC=C1 M03556 [0,1,0,0,0,1|1,0,0]=3 406 B8R1.2 COC1=CC=CN=C1 079847 [0,1,0,0,0,1|1,0,0]=3 407 B8R1.2 COC1=CC=NC=C1 045194 [0,1,0,0,0,1|1,0,0]=3 408 B8R1.2 COC1=NC=CC=C1 045214 [0,1,0,0,0,1|1,0,0]=3 409 B8R1.2 COC1=NC=CN=C1 002749 [0,1,0,0,0,1|1,0,0]=3 410 B8R1.2 CSC1=CC=CC=C1 002945 [0,1,0,0,0,1|1,0,0]=3 411 B8R1.2 CSC1=NC=CN=C1 009618 [0,1,0,0,0,1|1,0,0]=3 412 B8R1.2 ClCC1=CC=CC=C1 106800 [0,1,0,0,0,1|1,0,0]=3 413 B8R1.2 ClCC1=CC=CC=N1 026180 [0,1,0,0,0,1|1,0,0]=3 414 B8R1.2 ClCC1=CC=CN=C1 043884 [0,1,0,0,0,1|1,0,0]=3 415 B8R1.2 ClCC1=CC=NC=C1 050512 [0,1,0,0,0,1|1,0,0]=3 416 B8R1.2 ClCC1=NC=CC=N1 038565 [0,1,0,0,0,1|1,0,0]=3 417 B8R1.2 ClCC1=NC=CC=N1 077592 [0,1,0,0,0,1|1,0,0]=3 418 B8R1.2 Cl[Hg]C1=CC=CC=C1 101463 [0,1,0,0,0,1|2,0,0]=4 419 B8R1.2 Cl[Se]C1=CC=CC=C1 005554 [0,1,0,0,0,1|2,0,0]=4 420 B8R1.2 N#CC1=CC=CC=C1 035786 [0,1,0,0,0,1|1,0,1]=4 421 B8R1.2 N#CC1=CC=CC=C1 102548 [0,1,0,0,0,1|1,0,1]=4 422 B8R1.2 N#CC1=CC=NC=C1 050349 [0,1,0,0,0,1|1,0,1]=4 423 B8R1.2 N#CC1=CN=CC=C1 234028 [0,1,0,0,0,1|1,0,1]=4 424 B8R1.2 N#CC1=NC=CC=C1 050348 [0,1,0,0,0,1|1,0,1]=4 425 B8R1.2 N#CC1=NC=CC=N1 019246 [0,1,0,0,0,1|1,0,1]=4 426 B8R1.2 N#CC1=NC=CN=C1 002755 [0,1,0,0,0,1|1,0,1]=4 427 B8R1.2 NCC1=CC=CC=C1 098408 [0,1,0,0,0,1|1,0,0]=3 428 B8R1.2 NCC1=CC=CC=C1 241882 [0,1,0,0,0,1|1,0,0]=3 429 B8R1.2 NCC1=CC=CN=C1 078185 [0,1,0,0,0,1|1,0,0]=3 430 B8R1.2 NCC1=CC=NC=C1 065475 [0,1,0,0,0,1|1,0,0]=3 431 B8R1.2 NCC1=CN=CC=N1 043597 [0,1,0,0,0,1|1,0,0]=3 432 B8R1.2 NCC1=NC=CC=C1 009750 [0,1,0,0,0,1|1,0,0]=3 433 B8R1.2 NNC1=CC=CC=C1 079470 [0,1,0,0,0,1|2,0,0]=4 434 B8R1.2 NNC1=CC=CC=C1 098902 [0,1,0,0,0,1|2,0,0]=4 435 B8R1.2 NNC1=CN=CC=C1 044299 [0,1,0,0,0,1|2,0,0]=4 436 B8R1.2 NNC1=NC=CC=C1 093675 [0,1,0,0,0,1|2,0,0]=4 437 B8R1.2 NNC1=NC=CC=N1 044297 [0,1,0,0,0,1|2,0,0]=4 438 B8R1.2 O=CC1=CC=CN=C1 065202 [0,1,0,0,0,1|1,0,1]=4 439 B8R1.2 O=CC1=CC=NC=C1 091501 [0,1,0,0,0,1|1,0,1]=4 440 B8R1.2 O=CC1=NC=CC=C1 065201 [0,1,0,0,0,1|1,0,1]=4 441 B8R1.2 O=NC1=CC=CC=C1 106182 [0,1,0,0,0,1|2,0,0]=4 442 B8R1.2 OCC1=CC=CC=C1 094986 [0,1,0,0,0,1|1,0,0]=3 443 B8R1.2 OCC1=CC=CC=C1 105725 [0,1,0,0,0,1|1,0,0]=3 444 B8R1.2 OCC1=CC=CN=C1 208628 [0,1,0,0,0,1|1,0,0]=3 445 B8R1.2 OCC1=CC=CN=N1 045003 [0,1,0,0,0,1|1,0,0]=3 446 B8R1.2 OCC1=CC=NC=C1 078602 [0,1,0,0,0,1|1,0,0]=3 447 B8R1.2 OCC1=NC=CC=C1 043374 [0,1,0,0,0,1|1,0,0]=3 448 B8R1.2 OCC1=NC=CC=N1 067743 [0,1,0,0,0,1|1,0,0]=3 449 B8R1.2 OCC1CCC=CO1 M02893 [0,1,0,0,0,1|0,0,2]=4 450 B8R1.2 SCC1=CC=CC=C1 098994 [0,1,0,0,0,1|1,0,0]=3 451 B8R1.2 [C-]#[N+]C1=CC=CC=C1 180012 [0,1,0,0,0,1|1,0,1]=4 452 B8R1.2 [O-]CC1=CC=CC=C1 105697 [0,1,0,0,0,1|1,0,0]=3 453 B8R1.3 BrC1=CC=C(Br)C=C1 125702 [0,1,0,0,0,1|2,0,0]=4 454 B8R1.3 BrC1=CC=C(I)C=C1 005440 [0,1,0,0,0,1|2,0,0]=4 455 B8R1.3 BrC1=CN=C(Br)C=C1 019467 [0,1,0,0,0,1|2,0,0]=4 456 B8R1.3 BrC1=CN=C(Br)C=N1 067412 [0,1,0,0,0,1|2,0,0]=4 457 B8R1.3 BrC1=CN=C(I)C=C1 023885 [0,1,0,0,0,1|2,0,0]=4 458 B8R1.3 BrC1=CN=C(I)N=C1 034291 [0,1,0,0,0,1|2,0,0]=4 459 B8R1.3 BrC1=NC=C(I)C=C1 037034 [0,1,0,0,0,1|2,0,0]=4 460 B8R1.3 BrC1=NN=C(Br)C=C1 049463 [0,1,0,0,0,1|2,0,0]=4 461 B8R1.3 CC1=CC=C(Br)C=C1 001435 [0,1,0,0,0,1|1,0,0]=3 462 B8R1.3 CC1=CC=C(C)C=C1 098352 [0,1,0,0,0,1|1,0,0]=3 463 B8R1.3 CC1=CC=C(Cl)C=C1 099073 [0,1,0,0,0,1|1,0,0]=3 464 B8R1.3 CC1=CC=C(Cl)N=C1 049167 [0,1,0,0,0,1|1,0,0]=3 465 B8R1.3 CC1=CC=C(Cl)N=N1 067463 [0,1,0,0,0,1|1,0,0]=3 466 B8R1.3 CC1=CC=C(F)C=C1 001443 [0,1,0,0,0,1|1,0,0]=3 467 B8R1.3 CC1=CC=C(F)C=N1 035867 [0,1,0,0,0,1|1,0,0]=3 468 B8R1.3 CC1=CC=C(I)C=C1 001201 [0,1,0,0,0,1|1,0,0]=3 469 B8R1.3 CC1=CC=C(N)C=C1 080317 [0,1,0,0,0,1|1,0,0]=3 470 B8R1.3 CC1=CC=C(N)C=N1 012721 [0,1,0,0,0,1|1,0,0]=3 471 B8R1.3 CC1=CC=C(O)C=C1 240310 [0,1,0,0,0,1|1,0,0]=3 472 B8R1.3 CC1=CC=C(S)C=C1 019192 [0,1,0,0,0,1|1,0,0]=3 473 B8R1.3 CC1=CC=[N+]([O-])C=C1 237882 [0,1,0,0,0,1|1,0,0]=3 474 B8R1.3 CC1=CN=C(Br)C=C1 024508 [0,1,0,0,0,1|1,0,0]=3 475 B8R1.3 CC1=CN=C(C)C=N1 002729 [0,1,0,0,0,1|1,0,0]=3 476 B8R1.3 CC1=CN=C(Cl)N=C1 076041 [0,1,0,0,0,1|2,0,0]=4 477 B8R1.3 CC1=CN=C(F)C=C1 008920 [0,1,0,0,0,1|1,0,0]=3 478 B8R1.3 CC1=CN=C(N)C=C1 003527 [0,1,0,0,0,1|1,0,0]=3 479 B8R1.3 CC1=CN=C(N)C=N1 064501 [0,1,0,0,0,1|1,0,0]=3 480 B8R1.3 CC1=CN=C(O)C=C1 037381 [0,1,0,0,0,1|1,0,0]=3 481 B8R1.3 CC1=CNC(=O)C=C1 318707 [0,1,0,0,0,1|1,0,0]=3 482 B8R1.3 CC1=NC=C(Br)C=C1 033262 [0,1,0,0,0,1|1,0,0]=3 483 B8R1.3 CC1=NC=C(Br)C=N1 076444 [0,1,0,0,0,1|1,0,0]=3 484 B8R1.3 CC1=NC=C(Cl)C=C1 221445 [0,1,0,0,0,1|1,0,0]=3 485 B8R1.3 CC1=NC=C(O)C=C1 076959 [0,1,0,0,0,1|1,0,0]=3 486 B8R1.3 CC1=NNC(=O)C=C1 077719 [0,1,0,0,0,1|1,0,0]=3 487 B8R1.3 ClC1=CC=C(Br)C=C1 094835 [0,1,0,0,0,1|2,0,0]=4 488 B8R1.3 ClC1=CC=C(Cl)C=C1 094994 [0,1,0,0,0,1|2,0,0]=4 489 B8R1.3 ClC1=CC=C(I)C=C1 001151 [0,1,0,0,0,1|2,0,0]=4 490 B8R1.3 ClC1=CC=C(I)C=N1 046448 [0,1,0,0,0,1|2,0,0]=4 491 B8R1.3 ClC1=CN=C(Br)C=C1 012730 [0,1,0,0,0,1|2,0,0]=4 492 B8R1.3 ClC1=CN=C(Br)C=N1 077094 [0,1,0,0,0,1|2,0,0]=4 493 B8R1.3 ClC1=CN=C(Br)N=C1 038282 [0,1,0,0,0,1|2,0,0]=4 494 B8R1.3 ClC1=CN=C(Cl)C=C1 045174 [0,1,0,0,0,1|2,0,0]=4 495 B8R1.3 ClC1=CN=C(Cl)N=C1 045314 [0,1,0,0,0,1|2,0,0]=4 496 B8R1.3 ClC1=NC=C(Br)C=C1 024509 [0,1,0,0,0,1|2,0,0]=4 497 B8R1.3 ClC1=NC=C(Br)C=N1 023429 [0,1,0,0,0,1|2,0,0]=4 498 B8R1.3 ClC1=NN=C(Cl)C=C1 009132 [0,1,0,0,0,1|2,0,0]=4 499 B8R1.3 FC1=CC=C(Br)C=C1 001225 [0,1,0,0,0,1|2,0,0]=4 500 B8R1.3 FC1=CC=C(Br)C=N1 045231 [0,1,0,0,0,1|2,0,0]=4 501 B8R1.3 FC1=CC=C(Cl)C=C1 001147 [0,1,0,0,0,1|2,0,0]=4 502 B8R1.3 FC1=CC=C(F)C=C1 001170 [0,1,0,0,0,1|2,0,0]=4 503 B8R1.3 FC1=CC=C(I)C=C1 001184 [0,1,0,0,0,1|2,0,0]=4 504 B8R1.3 FC1=CC=C(S)C=C1 001625 [0,1,0,0,0,1|2,0,0]=4 505 B8R1.3 FC1=CN=C(Br)C=C1 024928 [0,1,0,0,0,1|2,0,0]=4 506 B8R1.3 FC1=CN=C(Cl)N=C1 035858 [0,1,0,0,0,1|2,0,0]=4 507 B8R1.3 FC1=CN=C(F)C=C1 036113 [0,1,0,0,0,1|2,0,0]=4 508 B8R1.3 FC1=NC=C(I)C=C1 036309 [0,1,0,0,0,1|2,0,0]=4 509 B8R1.3 IC1=CC=C(I)C=C1 131402 [0,1,0,0,0,1|2,0,0]=4 510 B8R1.3 NC1=CC=C(Br)C=C1 002472 [0,1,0,0,0,1|2,0,0]=4 511 B8R1.3 NC1=CC=C(Br)N=C1 035207 [0,1,0,0,0,1|2,0,0]=4 512 B8R1.3 NC1=CC=C(Br)N=N1 064946 [0,1,0,0,0,1|2,0,0]=4 513 B8R1.3 NC1=CC=C(Cl)C=C1 046750 [0,1,0,0,0,1|2,0,0]=4 514 B8R1.3 NC1=CC=C(F)C=C1 001439 [0,1,0,0,0,1|2,0,0]=4 515 B8R1.3 NC1=CC=C(F)N=C1 035844 [0,1,0,0,0,1|2,0,0]=4 516 B8R1.3 NC1=CC=C(I)C=C1 005423 [0,1,0,0,0,1|2,0,0]=4 517 B8R1.3 NC1=CC=C(I)N=N1 064949 [0,1,0,0,0,1|2,0,0]=4 518 B8R1.3 NC1=CC=C(N)C=C1 165600 [0,1,0,0,0,1|2,0,0]=4 519 B8R1.3 NC1=CC=C(N)C=C1 238391 [0,1,0,0,0,1|2,0,0]=4 520 B8R1.3 NC1=CC=C(O)C=C1 005060 [0,1,0,0,0,1|2,0,0]=4 521 B8R1.3 NC1=CC=C(O)N=C1 049670 [0,1,0,0,0,1|2,0,0]=4 522 B8R1.3 NC1=CC=C(S)C=C1 050722 [0,1,0,0,0,1|2,0,0]=4 523 B8R1.3 NC1=CN=C(Cl)C=C1 010694 [0,1,0,0,0,1|2,0,0]=4 524 B8R1.3 NC1=CN=C(O)C=C1 040143 [0,1,0,0,0,1|2,0,0]=4 525 B8R1.3 NC1=NC=C(Br)C=C1 003417 [0,1,0,0,0,1|2,0,0]=4 526 B8R1.3 NC1=NC=C(Br)C=N1 045218 [0,1,0,0,0,1|2,0,0]=4 527 B8R1.3 NC1=NC=C(Br)N=C1 036703 [0,1,0,0,0,1|2,0,0]=4 528 B8R1.3 NC1=NC=C(Cl)C=C1 010691 [0,1,0,0,0,1|2,0,0]=4 529 B8R1.3 NC1=NC=C(Cl)C=N1 018177 [0,1,0,0,0,1|2,0,0]=4 530 B8R1.3 NC1=NC=C(F)C=C1 005231 [0,1,0,0,0,1|2,0,0]=4 531 B8R1.3 NC1=NC=C(I)C=C1 005457 [0,1,0,0,0,1|2,0,0]=4 532 B8R1.3 NC1=NC=C(I)C=N1 048092 [0,1,0,0,0,1|2,0,0]=4 533 B8R1.3 NC1=NC=C(I)N=C1 076106 [0,1,0,0,0,1|2,0,0]=4 534 B8R1.3 NC1=NC=C(O)C=C1 077000 [0,1,0,0,0,1|2,0,0]=4 535 B8R1.3 NC1=NN=C(Cl)C=C1 018176 [0,1,0,0,0,1|2,0,0]=4 536 B8R1.3 NC1=NN=C(N)C=C1 093687 [0,1,0,0,0,1|2,0,0]=4 537 B8R1.3 O=C1C=CC(=O)C=C1 094629 [0,1,0,0,0,1|2,0,0]=4 538 B8R1.3 OC1=CC=C(Br)C=C1 008836 [0,1,0,0,0,1|2,0,0]=4 539 B8R1.3 OC1=CC=C(Br)C=N1 035853 [0,1,0,0,0,1|2,0,0]=4 540 B8R1.3 OC1=CC=C(Cl)C=C1 099915 [0,1,0,0,0,1|2,0,0]=4 541 B8R1.3 OC1=CC=C(F)C=C1 001291 [0,1,0,0,0,1|2,0,0]=4 542 B8R1.3 OC1=CC=C(F)C=N1 036288 [0,1,0,0,0,1|2,0,0]=4 543 B8R1.3 OC1=CC=C(F)N=C1 036275 [0,1,0,0,0,1|2,0,0]=4 544 B8R1.3 OC1=CC=C(I)C=C1 008839 [0,1,0,0,0,1|2,0,0]=4 545 B8R1.3 OC1=CC=C(O)C=C1 146000 [0,1,0,0,0,1|2,0,0]=4 546 B8R1.3 OC1=CN=C(Br)C=C1 037033 [0,1,0,0,0,1|2,0,0]=4 547 B8R1.3 OC1=CN=C(Cl)C=C1 024512 [0,1,0,0,0,1|2,0,0]=4 548 B8R1.3 OC1=NC=C(Br)C=N1 036375 [0,1,0,0,0,1|2,0,0]=4 549 B8R1.3 OC1=NC=C(Br)N=C1 046364 [0,1,0,0,0,1|2,0,0]=4 550 B8R1.3 OC1=NC=C(Cl)C=C1 067320 [0,1,0,0,0,1|2,0,0]=4 551 B8R1.3 OC1=NC=C(Cl)N=C1 076747 [0,1,0,0,0,1|2,0,0]=4 552 B8R1.3 OC1=NC=C(I)C=C1 067337 [0,1,0,0,0,1|2,0,0]=4 553 B8R1.3 OC1=NN=C(Cl)C=C1 076036 [0,1,0,0,0,1|2,0,0]=4 554 B8R1.3 OC1=NN=C(O)C=C1 208640 [0,1,0,0,0,1|2,0,0]=4 555 B8R1.3 SC1=CC=C(Br)C=C1 023261 [0,1,0,0,0,1|2,0,0]=4 556 B8R1.3 SC1=CC=C(Cl)C=C1 005205 [0,1,0,0,0,1|2,0,0]=4 557 B8R1.3 [O-][N+]1=CC=C(Cl)C=C1 046924 [0,1,0,0,0,1|2,0,0]=4 558 B8R1.4 BrC1=CC(Br)=NC=C1 033112 [0,1,0,0,0,1|2,0,0]=4 559 B8R1.4 BrC1=CC(I)=CC=C1 001125 [0,1,0,0,0,1|2,0,0]=4 560 B8R1.4 BrC1=CC=CC(Br)=C1 001159 [0,1,0,0,0,1|2,0,0]=4 561 B8R1.4 BrC1=CC=CC(Br)=N1 024557 [0,1,0,0,0,1|2,0,0]=4 562 B8R1.4 BrC1=CN=CC(Br)=C1 032698 [0,1,0,0,0,1|2,0,0]=4 563 B8R1.4 BrC1=CN=CC(I)=C1 046191 [0,1,0,0,0,1|2,0,0]=4 564 B8R1.4 CC1=CC(=O)NC=C1 358401 [0,1,0,0,0,1|1,0,0]=3 565 B8R1.4 CC1=CC(Br)=CC=C1 001434 [0,1,0,0,0,1|1,0,0]=3 566 B8R1.4 CC1=CC(Br)=CN=C1 036864 [0,1,0,0,0,1|1,0,0]=3 567 B8R1.4 CC1=CC(Br)=NC=C1 009754 [0,1,0,0,0,1|1,0,0]=3 568 B8R1.4 CC1=CC(C)=NC=C1 242811 [0,1,0,0,0,1|1,0,0]=3 569 B8R1.4 CC1=CC(C)=NC=N1 045792 [0,1,0,0,0,1|1,0,0]=3 570 B8R1.4 CC1=CC(Cl)=CC=C1 243038 [0,1,0,0,0,1|1,0,0]=3 571 B8R1.4 CC1=CC(Cl)=NC=C1 010404 [0,1,0,0,0,1|1,0,0]=3 572 B8R1.4 CC1=CC(F)=CC=C1 001442 [0,1,0,0,0,1|1,0,0]=3 573 B8R1.4 CC1=CC(F)=NC=C1 006287 [0,1,0,0,0,1|1,0,0]=3 574 B8R1.4 CC1=CC(I)=CC=C1 001200 [0,1,0,0,0,1|1,0,0]=3 575 B8R1.4 CC1=CC(N)=NC=C1 013751 [0,1,0,0,0,1|1,0,0]=3 576 B8R1.4 CC1=CC=CC(C)=C1 103820 [0,1,0,0,0,1|1,0,0]=3 577 B8R1.4 CC1=CC=CC(C)=N1 092726 [0,1,0,0,0,1|1,0,0]=3 578 B8R1.4 CC1=CC=CC(C)=N1 104293 [0,1,0,0,0,1|1,0,0]=3 579 B8R1.4 CC1=CC=CC(Cl)=N1 010405 [0,1,0,0,0,1|1,0,0]=3 580 B8R1.4 CC1=CC=CC(F)=N1 006288 [0,1,0,0,0,1|1,0,0]=3 581 B8R1.4 CC1=CC=CC(N)=C1 033242 [0,1,0,0,0,1|1,0,0]=3 582 B8R1.4 CC1=CC=CC(N)=N1 020196 [0,1,0,0,0,1|1,0,0]=3 583 B8R1.4 CC1=CC=CC(O)=C1 094674 [0,1,0,0,0,1|1,0,0]=3 584 B8R1.4 CC1=CC=NC(Cl)=N1 044515 [0,1,0,0,0,1|1,0,0]=3 585 B8R1.4 CC1=CC=NC(N)=N1 003634 [0,1,0,0,0,1|1,0,0]=3 586 B8R1.4 CC1=CN=CC(C)=C1 094626 [0,1,0,0,0,1|1,0,0]=3 587 B8R1.4 CC1=CN=CC(C)=N1 002730 [0,1,0,0,0,1|1,0,0]=3 588 B8R1.4 CC1=CN=CC(Cl)=N1 067405 [0,1,0,0,0,1|1,0,0]=3 589 B8R1.4 CC1=CN=CC(N)=C1 033255 [0,1,0,0,0,1|1,0,0]=3 590 B8R1.4 CC1=C[N+]([O-])=CC=C1 233635 [0,1,0,0,0,1|1,0,0]=3 591 B8R1.4 CC1=NC(Br)=CC=C1 020192 [0,1,0,0,0,1|1,0,0]=3 592 B8R1.4 CC1=NC(Cl)=CC=N1 061014 [0,1,0,0,0,1|1,0,0]=3 593 B8R1.4 CC1=NC(S)=NC=C1 068730 [0,1,0,0,0,1|1,0,0]=3 594 B8R1.4 CC1=NC=CC(Br)=C1 036985 [0,1,0,0,0,1|1,0,0]=3 595 B8R1.4 CC1=NC=CC(Cl)=C1 003362 [0,1,0,0,0,1|1,0,0]=3 596 B8R1.4 CC1=NC=CC(N)=C1 024684 [0,1,0,0,0,1|1,0,0]=3 597 B8R1.4 CC1=NC=CC(O)=C1 076527 [0,1,0,0,0,1|1,0,0]=3 598 B8R1.4 C[N+]1=CC(Br)=CC=C1 182518 [0,1,0,0,0,1|2,0,0]=4 599 B8R1.4 C[N+]1=CC(Cl)=CC=C1 181184 [0,1,0,0,0,1|2,0,0]=4 600 B8R1.4 C[N+]1=CC(I)=CC=C1 182790 [0,1,0,0,0,1|2,0,0]=4 601 B8R1.4 ClC1=CC(Br)=CC=C1 001104 [0,1,0,0,0,1|2,0,0]=4 602 B8R1.4 ClC1=CC(Br)=NC=C1 012729 [0,1,0,0,0,1|2,0,0]=4 603 B8R1.4 ClC1=CC(Cl)=NC=N1 036390 [0,1,0,0,0,1|2,0,0]=4 604 B8R1.4 ClC1=CC(Cl)=NN=C1 077821 [0,1,0,0,0,1|2,0,0]=4 605 B8R1.4 ClC1=CC(I)=CC=C1 001150 [0,1,0,0,0,1|2,0,0]=4 606 B8R1.4 ClC1=CC=CC(Br)=N1 035849 [0,1,0,0,0,1|2,0,0]=4 607 B8R1.4 ClC1=CC=CC(Cl)=C1 241021 [0,1,0,0,0,1|2,0,0]=4 608 B8R1.4 ClC1=CC=CC(Cl)=N1 209011 [0,1,0,0,0,1|2,0,0]=4 609 B8R1.4 ClC1=CC=NC(Cl)=C1 011684 [0,1,0,0,0,1|2,0,0]=4 610 B8R1.4 ClC1=CC=NC(Cl)=N1 032516 [0,1,0,0,0,1|2,0,0]=4 611 B8R1.4 ClC1=CN=CC(Br)=C1 033253 [0,1,0,0,0,1|2,0,0]=4 612 B8R1.4 ClC1=CN=CC(Cl)=C1 049696 [0,1,0,0,0,1|2,0,0]=4 613 B8R1.4 ClC1=CN=CC(Cl)=N1 002758 [0,1,0,0,0,1|2,0,0]=4 614 B8R1.4 ClC1=NC=CC(Br)=C1 045178 [0,1,0,0,0,1|2,0,0]=4 615 B8R1.4 ClC1=NC=CC(I)=C1 036250 [0,1,0,0,0,1|2,0,0]=4 616 B8R1.4 FC1=CC(Br)=NC=C1 050212 [0,1,0,0,0,1|2,0,0]=4 617 B8R1.4 FC1=CC(Cl)=CN=C1 045059 [0,1,0,0,0,1|2,0,0]=4 618 B8R1.4 FC1=CC(F)=NC=C1 046509 [0,1,0,0,0,1|2,0,0]=4 619 B8R1.4 FC1=CC(I)=CC=C1 001183 [0,1,0,0,0,1|2,0,0]=4 620 B8R1.4 FC1=CC(I)=CC=N1 034748 [0,1,0,0,0,1|2,0,0]=4 621 B8R1.4 FC1=CC=CC(Br)=C1 001224 [0,1,0,0,0,1|2,0,0]=4 622 B8R1.4 FC1=CC=CC(Br)=N1 033114 [0,1,0,0,0,1|2,0,0]=4 623 B8R1.4 FC1=CC=CC(Cl)=C1 001146 [0,1,0,0,0,1|2,0,0]=4 624 B8R1.4 FC1=CC=CC(F)=C1 001232 [0,1,0,0,0,1|2,0,0]=4 625 B8R1.4 FC1=CC=CC(F)=N1 001607 [0,1,0,0,0,1|2,0,0]=4 626 B8R1.4 FC1=CC=CC(S)=C1 001299 [0,1,0,0,0,1|2,0,0]=4 627 B8R1.4 FC1=CC=NC(Cl)=C1 045233 [0,1,0,0,0,1|2,0,0]=4 628 B8R1.4 FC1=CC=NC(F)=N1 024448 [0,1,0,0,0,1|2,0,0]=4 629 B8R1.4 FC1=CN=CC(Br)=C1 037143 [0,1,0,0,0,1|2,0,0]=4 630 B8R1.4 FC1=CN=CC(I)=C1 038149 [0,1,0,0,0,1|2,0,0]=4 631 B8R1.4 FC1=NC(Cl)=CC=C1 033248 [0,1,0,0,0,1|2,0,0]=4 632 B8R1.4 FC1=NC=CC(Br)=C1 016230 [0,1,0,0,0,1|2,0,0]=4 633 B8R1.4 IC1=CC=CC(I)=C1 001752 [0,1,0,0,0,1|2,0,0]=4 634 B8R1.4 NC1=CC(Br)=CC=C1 003072 [0,1,0,0,0,1|2,0,0]=4 635 B8R1.4 NC1=CC(Br)=CC=N1 046160 [0,1,0,0,0,1|2,0,0]=4 636 B8R1.4 NC1=CC(Br)=CN=C1 033123 [0,1,0,0,0,1|2,0,0]=4 637 B8R1.4 NC1=CC(Cl)=CC=C1 038261 [0,1,0,0,0,1|2,0,0]=4 638 B8R1.4 NC1=CC(Cl)=NC=C1 018016 [0,1,0,0,0,1|2,0,0]=4 639 B8R1.4 NC1=CC(Cl)=NC=N1 030770 [0,1,0,0,0,1|2,0,0]=4 640 B8R1.4 NC1=CC(Cl)=NN=C1 092451 [0,1,0,0,0,1|2,0,0]=4 641 B8R1.4 NC1=CC(F)=CC=C1 001438 [0,1,0,0,0,1|2,0,0]=4 642 B8R1.4 NC1=CC(F)=NC=C1 046490 [0,1,0,0,0,1|2,0,0]=4 643 B8R1.4 NC1=CC(N)=NC=N1 092375 [0,1,0,0,0,1|2,0,0]=4 644 B8R1.4 NC1=CC(O)=NC=N1 064927 [0,1,0,0,0,1|2,0,0]=4 645 B8R1.4 NC1=CC=CC(Cl)=N1 012728 [0,1,0,0,0,1|2,0,0]=4 646 B8R1.4 NC1=CC=CC(I)=C1 227695 [0,1,0,0,0,1|2,0,0]=4 647 B8R1.4 NC1=CC=CC(N)=C1 216678 [0,1,0,0,0,1|2,0,0]=4 648 B8R1.4 NC1=CC=CC(N)=N1 077786 [0,1,0,0,0,1|2,0,0]=4 649 B8R1.4 NC1=CC=CC(O)=C1 099283 [0,1,0,0,0,1|2,0,0]=4 650 B8R1.4 NC1=CC=NC(=O)N1 036359 [0,1,0,0,0,1|2,0,0]=4 651 B8R1.4 NC1=CC=NC(Br)=C1 043852 [0,1,0,0,0,1|2,0,0]=4 652 B8R1.4 NC1=CN=CC(F)=C1 045309 [0,1,0,0,0,1|2,0,0]=4 653 B8R1.4 NC1=CN=CC(N)=N1 079286 [0,1,0,0,0,1|2,0,0]=4 654 B8R1.4 NC1=NC(Br)=CC=C1 033158 [0,1,0,0,0,1|2,0,0]=4 655 B8R1.4 NC1=NC(Cl)=CN=C1 002753 [0,1,0,0,0,1|2,0,0]=4 656 B8R1.4 NC1=NC(Cl)=NC=C1 049289 [0,1,0,0,0,1|2,0,0]=4 657 B8R1.4 NC1=NC(F)=CC=C1 024171 [0,1,0,0,0,1|2,0,0]=4 658 B8R1.4 NC1=NC(N)=NC=C1 079382 [0,1,0,0,0,1|2,0,0]=4 659 B8R1.4 NC1=NC=CC(Cl)=C1 043622 [0,1,0,0,0,1|2,0,0]=4 660 B8R1.4 NC1=NC=CC(Cl)=N1 036341 [0,1,0,0,0,1|2,0,0]=4 661 B8R1.4 NC1=NC=CC(F)=C1 064880 [0,1,0,0,0,1|2,0,0]=4 662 B8R1.4 NC1=NC=CC(O)=C1 048149 [0,1,0,0,0,1|2,0,0]=4 663 B8R1.4 NC1=NC=CC(O)=C1 223673 [0,1,0,0,0,1|2,0,0]=4 664 B8R1.4 NC1=NC=CC(O)=N1 043460 [0,1,0,0,0,1|2,0,0]=4 665 B8R1.4 NC1=NC=NC(Br)=C1 076394 [0,1,0,0,0,1|2,0,0]=4 666 B8R1.4 O=C1C=C(Br)C=CN1 338416 [0,1,0,0,0,1|2,0,0]=4 667 B8R1.4 O=C1C=C(Cl)C=NN1 078020 [0,1,0,0,0,1|2,0,0]=4 668 B8R1.4 O=C1C=CNC(=O)N1 176400 [0,1,0,0,0,1|2,0,0]=4 669 B8R1.4 O=C1C=CNC(=S)N1 078506 [0,1,0,0,0,1|2,0,0]=4 670 B8R1.4 OC1=CC(Br)=CC=C1 003059 [0,1,0,0,0,1|2,0,0]=4 671 B8R1.4 OC1=CC(Cl)=CC=C1 121000 [0,1,0,0,0,1|2,0,0]=4 672 B8R1.4 OC1=CC(Cl)=CC=N1 011626 [0,1,0,0,0,1|2,0,0]=4 673 B8R1.4 OC1=CC(F)=CC=C1 002173 [0,1,0,0,0,1|2,0,0]=4 674 B8R1.4 OC1=CC(I)=CC=C1 001308 [0,1,0,0,0,1|2,0,0]=4 675 B8R1.4 OC1=CC(O)=NC=N1 002991 [0,1,0,0,0,1|2,0,0]=4 676 B8R1.4 OC1=CC=CC(O)=C1 168800 [0,1,0,0,0,1|2,0,0]=4 677 B8R1.4 OC1=CC=NC(Cl)=C1 045190 [0,1,0,0,0,1|2,0,0]=4 678 B8R1.4 OC1=CN=CC(Br)=C1 033254 [0,1,0,0,0,1|2,0,0]=4 679 B8R1.4 OC1=CN=CC(F)=C1 079345 [0,1,0,0,0,1|2,0,0]=4 680 B8R1.4 OC1=NC(Cl)=CC=C1 037405 [0,1,0,0,0,1|2,0,0]=4 681 B8R1.4 OC1=NC(F)=CC=C1 038546 [0,1,0,0,0,1|2,0,0]=4 682 B8R1.4 SC1=CC(Br)=CC=C1 001578 [0,1,0,0,0,1|2,0,0]=4 683 B8R1.4 SC1=CC(Cl)=CC=C1 001581 [0,1,0,0,0,1|2,0,0]=4 684 B8R1.4 [NH3+]C1=CC(Cl)=CC=C1 180293 [0,1,0,0,0,1|2,0,0]=4 685 B8R1.4 [O-][N+]1=CC=CC(O)=C1 243131 [0,1,0,0,0,1|2,0,0]=4 686 B8R1.5 BrC1=C(Br)C=CC=C1 001158 [0,1,0,0,0,1|2,0,0]=4 687 B8R1.5 BrC1=C(Br)N=CC=C1 049464 [0,1,0,0,0,1|2,0,0]=4 688 B8R1.5 BrC1=C(I)C=CC=C1 001124 [0,1,0,0,0,1|2,0,0]=4 689 B8R1.5 BrC1=CC=NC=C1Br 049695 [0,1,0,0,0,1|2,0,0]=4 690 B8R1.5 BrC1=NC=CC=C1I 043242 [0,1,0,0,0,1|2,0,0]=4 691 B8R1.5 BrC1=NC=CN=C1Br 076793 [0,1,0,0,0,1|2,0,0]=4 692 B8R1.5 CC1=C(Br)C=CC=C1 001397 [0,1,0,0,0,1|1,0,0]=3 693 B8R1.5 CC1=C(Br)C=NC=C1 076567 [0,1,0,0,0,1|1,0,0]=3 694 B8R1.5 CC1=C(C)C=CC=C1 094836 [0,1,0,0,0,1|1,0,0]=3 695 B8R1.5 CC1=C(C)C=CC=C1 098283 [0,1,0,0,0,1|1,0,0]=3 696 B8R1.5 CC1=C(C)C=NC=C1 358457 [0,1,0,0,0,1|1,0,0]=3 697 B8R1.5 CC1=C(Cl)C=CN=C1 010406 [0,1,0,0,0,1|1,0,0]=3 698 B8R1.5 CC1=C(Cl)N=CC=C1 048691 [0,1,0,0,0,1|1,0,0]=3 699 B8R1.5 CC1=C(F)C=CC=C1 001423 [0,1,0,0,0,1|1,0,0]=3 700 B8R1.5 CC1=C(F)C=NC=C1 036307 [0,1,0,0,0,1|1,0,0]=3 701 B8R1.5 CC1=C(I)C=CC=C1 001199 [0,1,0,0,0,1|1,0,0]=3 702 B8R1.5 CC1=C(N)C=CC=C1 043316 [0,1,0,0,0,1|1,0,0]=3 703 B8R1.5 CC1=C(S)C=CC=C1 172400 [0,1,0,0,0,1|1,0,0]=3 704 B8R1.5 CC1=C([NH3+])C=CC=C1 180149 [0,1,0,0,0,1|1,0,0]=3 705 B8R1.5 CC1=CC=CC=C1Cl 235783 [0,1,0,0,0,1|1,0,0]=3 706 B8R1.5 CC1=CC=CC=C1O 239923 [0,1,0,0,0,1|1,0,0]=3 707 B8R1.5 CC1=CC=CC=[N+]1C 181294 [0,1,0,0,0,1|1,0,0]=3 708 B8R1.5 CC1=CC=CN=C1Br 036374 [0,1,0,0,0,1|1,0,0]=3 709 B8R1.5 CC1=CC=CN=C1C 477008 [0,1,0,0,0,1|1,0,0]=3 710 B8R1.5 CC1=CC=CN=C1F 001764 [0,1,0,0,0,1|1,0,0]=3 711 B8R1.5 CC1=CC=CN=C1N 032515 [0,1,0,0,0,1|1,0,0]=3 712 B8R1.5 CC1=CC=CNC1=O 077668 [0,1,0,0,0,1|1,0,0]=3 713 B8R1.5 CC1=CN=CC=C1N 045002 [0,1,0,0,0,1|1,0,0]=3 714 B8R1.5 CC1=NC=CC=C1Br 036242 [0,1,0,0,0,1|1,0,0]=3 715 B8R1.5 CC1=NC=CC=C1Cl 047642 [0,1,0,0,0,1|1,0,0]=3 716 B8R1.5 CC1=NC=CC=C1F 092332 [0,1,0,0,0,1|1,0,0]=3 717 B8R1.5 CC1=NC=CC=C1N 036315 [0,1,0,0,0,1|1,0,0]=3 718 B8R1.5 CC1=NC=CC=C1O 044756 [0,1,0,0,0,1|1,0,0]=3 719 B8R1.5 CC1=NC=CN=C1C 009615 [0,1,0,0,0,1|1,0,0]=3 720 B8R1.5 CC1=NC=CN=C1Cl 077109 [0,1,0,0,0,1|1,0,0]=3 721 B8R1.5 CC1=[N+]([O-])C=CC=C1 037831 [0,1,0,0,0,1|1,0,0]=3 722 B8R1.5 CN1C=CC=CC1=O 233629 [0,1,0,0,0,1|2,0,0]=4 723 B8R1.5 C[N+]1=C(Br)C=CC=C1 182517 [0,1,0,0,0,1|2,0,0]=4 724 B8R1.5 C[N+]1=C(Cl)C=CC=C1 067321 [0,1,0,0,0,1|2,0,0]=4 725 B8R1.5 C[N+]1=CC=CN=C1N 181331 [0,1,0,0,0,1|2,0,0]=4 726 B8R1.5 ClC1=C(Br)C=CC=C1 001103 [0,1,0,0,0,1|2,0,0]=4 727 B8R1.5 ClC1=C(Br)C=CC=N1 045198 [0,1,0,0,0,1|2,0,0]=4 728 B8R1.5 ClC1=C(Cl)C=NC=C1 033115 [0,1,0,0,0,1|2,0,0]=4 729 B8R1.5 ClC1=C(I)C=CC=C1 001149 [0,1,0,0,0,1|2,0,0]=4 730 B8R1.5 ClC1=C(I)C=CC=N1 035857 [0,1,0,0,0,1|2,0,0]=4 731 B8R1.5 ClC1=CC=CC=C1Cl 216310 [0,1,0,0,0,1|2,0,0]=4 732 B8R1.5 ClC1=CC=CN=C1Br 067340 [0,1,0,0,0,1|2,0,0]=4 733 B8R1.5 ClC1=CC=CN=C1Cl 037323 [0,1,0,0,0,1|2,0,0]=4 734 B8R1.5 ClC1=NC=CN=C1Cl 002757 [0,1,0,0,0,1|2,0,0]=4 735 B8R1.5 ClC1=NC=NC=C1Br 079813 [0,1,0,0,0,1|2,0,0]=4 736 B8R1.5 FC1=C(Br)C=CC=C1 001121 [0,1,0,0,0,1|2,0,0]=4 737 B8R1.5 FC1=C(Br)C=CN=C1 079196 [0,1,0,0,0,1|2,0,0]=4 738 B8R1.5 FC1=C(Cl)C=CC=C1 001145 [0,1,0,0,0,1|2,0,0]=4 739 B8R1.5 FC1=C(F)C=CC=C1 001169 [0,1,0,0,0,1|2,0,0]=4 740 B8R1.5 FC1=C(F)N=CC=C1 033562 [0,1,0,0,0,1|2,0,0]=4 741 B8R1.5 FC1=C(I)C=CC=C1 001182 [0,1,0,0,0,1|2,0,0]=4 742 B8R1.5 FC1=C(S)C=CC=C1 003237 [0,1,0,0,0,1|2,0,0]=4 743 B8R1.5 FC1=CC=CN=C1Br 033268 [0,1,0,0,0,1|2,0,0]=4 744 B8R1.5 FC1=CC=CN=C1Cl 013882 [0,1,0,0,0,1|2,0,0]=4 745 B8R1.5 FC1=CN=CC=C1Cl 045234 [0,1,0,0,0,1|2,0,0]=4 746 B8R1.5 FC1=NC=CC=C1Br 016228 [0,1,0,0,0,1|2,0,0]=4 747 B8R1.5 FC1=NC=CC=C1Cl 034858 [0,1,0,0,0,1|2,0,0]=4 748 B8R1.5 FC1=NC=CC=C1I 036278 [0,1,0,0,0,1|2,0,0]=4 749 B8R1.5 IC1=C(I)C=CC=C1 001039 [0,1,0,0,0,1|2,0,0]=4 750 B8R1.5 NC1=C(Br)C=CC=C1 005347 [0,1,0,0,0,1|2,0,0]=4 751 B8R1.5 NC1=C(Cl)C=CC=C1 097866 [0,1,0,0,0,1|2,0,0]=4 752 B8R1.5 NC1=C(Cl)C=NC=C1 012738 [0,1,0,0,0,1|2,0,0]=4 753 B8R1.5 NC1=C(Cl)N=CC=N1 035839 [0,1,0,0,0,1|2,0,0]=4 754 B8R1.5 NC1=C(F)C=CC=C1 001430 [0,1,0,0,0,1|2,0,0]=4 755 B8R1.5 NC1=C(I)C=CC=C1 001038 [0,1,0,0,0,1|2,0,0]=4 756 B8R1.5 NC1=C(I)C=CC=N1 043682 [0,1,0,0,0,1|2,0,0]=4 757 B8R1.5 NC1=C(N)C=CC=C1 094521 [0,1,0,0,0,1|2,0,0]=4 758 B8R1.5 NC1=C(N)C=NC=C1 043674 [0,1,0,0,0,1|2,0,0]=4 759 B8R1.5 NC1=C(O)C=CC=C1 094977 [0,1,0,0,0,1|2,0,0]=4 760 B8R1.5 NC1=C(O)C=CN=C1 012737 [0,1,0,0,0,1|2,0,0]=4 761 B8R1.5 NC1=C(S)C=CC=C1 002470 [0,1,0,0,0,1|2,0,0]=4 762 B8R1.5 NC1=CC=CN=C1Br 064879 [0,1,0,0,0,1|2,0,0]=4 763 B8R1.5 NC1=CC=CN=C1Cl 045182 [0,1,0,0,0,1|2,0,0]=4 764 B8R1.5 NC1=CC=CN=C1F 033249 [0,1,0,0,0,1|2,0,0]=4 765 B8R1.5 NC1=CC=CN=C1N 013506 [0,1,0,0,0,1|2,0,0]=4 766 B8R1.5 NC1=CC=CN=C1O 047643 [0,1,0,0,0,1|2,0,0]=4 767 B8R1.5 NC1=CC=NC=C1Br 064869 [0,1,0,0,0,1|2,0,0]=4 768 B8R1.5 NC1=CC=NC=C1F 045062 [0,1,0,0,0,1|2,0,0]=4 769 B8R1.5 NC1=CC=NC=C1I 046498 [0,1,0,0,0,1|2,0,0]=4 770 B8R1.5 NC1=CN=CN=C1Cl 077408 [0,1,0,0,0,1|2,0,0]=4 771 B8R1.5 NC1=CN=CN=C1N 049440 [0,1,0,0,0,1|2,0,0]=4 772 B8R1.5 NC1=NC=CC=C1Br 049777 [0,1,0,0,0,1|2,0,0]=4 773 B8R1.5 NC1=NC=CC=C1F 045834 [0,1,0,0,0,1|2,0,0]=4 774 B8R1.5 NC1=NC=CC=C1O 045183 [0,1,0,0,0,1|2,0,0]=4 775 B8R1.5 NC1=NC=CN=C1N 080010 [0,1,0,0,0,1|2,0,0]=4 776 B8R1.5 NC1=NC=CN=C1O 079883 [0,1,0,0,0,1|2,0,0]=4 777 B8R1.5 OC1=C(Br)C=CC=C1 008838 [0,1,0,0,0,1|2,0,0]=4 778 B8R1.5 OC1=C(F)C=CC=C1 001290 [0,1,0,0,0,1|2,0,0]=4 779 B8R1.5 OC1=C(I)C=CC=C1 033689 [0,1,0,0,0,1|2,0,0]=4 780 B8R1.5 OC1=C(S)C=CC=C1 008733 [0,1,0,0,0,1|2,0,0]=4 781 B8R1.5 OC1=CC=CC=C1Cl 242866 [0,1,0,0,0,1|2,0,0]=4 782 B8R1.5 OC1=CC=CC=C1O 005090 [0,1,0,0,0,1|2,0,0]=4 783 B8R1.5 OC1=CC=CN=C1Br 045186 [0,1,0,0,0,1|2,0,0]=4 784 B8R1.5 OC1=CC=CN=C1Cl 045045 [0,1,0,0,0,1|2,0,0]=4 785 B8R1.5 OC1=CC=CN=C1F 043791 [0,1,0,0,0,1|2,0,0]=4 786 B8R1.5 OC1=CC=CN=C1O 045191 [0,1,0,0,0,1|2,0,0]=4 787 B8R1.5 OC1=CC=CNC1=S 180068 [0,1,0,0,0,1|2,0,0]=4 788 B8R1.5 SC1=C(Br)C=CC=C1 001577 [0,1,0,0,0,1|2,0,0]=4 789 B8R1.5 SC1=C(Cl)C=CC=C1 001580 [0,1,0,0,0,1|2,0,0]=4 790 B8R1.5 [O-][N+]1=CC=CC=C1O 078762 [0,1,0,0,0,1|2,0,0]=4 791 B8R1.1 CC1=CC(CN)=NO1 094980 [0,2,0,0,0,0|1,0,0]=3 792 B8R1.1 CC1=CC(CN)=NO1 358781 [0,2,0,0,0,0|1,0,0]=3 793 B8R1.1 CC1=CC(CO)=NO1 017477 [0,2,0,0,0,0|1,0,0]=3 794 B8R1.1 CC1=CC=C(C=O)O1 216646 [0,2,0,0,0,0|0,0,0]=2 795 B8R1.1 CC1=CC=C(C=O)S1 045074 [0,2,0,0,0,0|0,1,0]=3 796 B8R1.1 CC1=CC=C(CN)O1 225706 [0,2,0,0,0,0|0,0,0]=2 797 B8R1.1 CC1=CC=C(CO)O1 013649 [0,2,0,0,0,0|0,0,0]=2 798 B8R1.1 CC1=CC=C(CO)S1 362444 [0,2,0,0,0,0|0,1,0]=3 799 B8R1.1 CC1=CSC(C#N)=C1 023897 [0,2,0,0,0,0|0,1,1]=4 800 B8R1.1 CC1=CSC(C=O)=N1 065270 [0,2,0,0,0,0|2,0,0]=4 801 B8R1.1 CC1=CSC(CN)=C1 023898 [0,2,0,0,0,0|0,1,0]=3 802 B8R1.1 CC1=NC(C#N)=CS1 017216 [0,2,0,0,0,0|1,1,0]=4 803 B8R1.1 CC1=NC(CCl)=CS1 016133 [0,2,0,0,0,0|1,1,0]=4 804 B8R1.1 CC1=NNC(CN)=C1 058640 [0,2,0,0,0,0|2,0,0]=4 805 B8R1.1 CC1=NOC(CCl)=N1 219873 [0,2,0,0,0,0|2,0,0]=4 806 B8R1.1 CCC1=NC=C(C)N1 403581 [0,2,0,0,0,0|2,0,0]=4 807 B8R1.1 CCC1=NN=C(N)O1 009901 [0,2,0,0,0,0|2,0,0]=4 808 B8R1.1 CN1C=C(C=O)C=N1 014499 [0,2,0,0,0,0|2,0,0]=4 809 B8R1.1 CN1C=C(CN)C=N1 030587 [0,2,0,0,0,0|2,0,0]=4 810 B8R1.1 CN1C=CC(CN)=N1 030355 [0,2,0,0,0,0|2,0,0]=4 811 B8R1.1 ClCC1=CN=C(Cl)S1 016115 [0,2,0,0,0,0|1,1,0]=4 812 B8R1.1 N#CC1=CC(Br)=CS1 043667 [0,2,0,0,0,0|0,1,1]=4 813 B8R1.1 NCC1=CC(Br)=CS1 091824 [0,2,0,0,0,0|0,1,0]=3 814 B8R1.1 O=CC1=CC(Br)=CS1 019228 [0,2,0,0,0,0|0,1,1]=4 815 B8R1.1 O=CC1=CC=C(Br)O1 010657 [0,2,0,0,0,0|0,0,1]=3 816 B8R1.1 O=CC1=CC=C(Br)S1 065250 [0,2,0,0,0,0|0,1,1]=4 817 B8R1.1 O=CC1=CC=C(Cl)S1 013487 [0,2,0,0,0,0|0,1,1]=4 818 B8R1.1 OCC1=CN=C(Br)S1 079893 [0,2,0,0,0,0|1,1,0]=4 819 B8R1.7 CC(=O)C1=CC=CN1 002744 [0,2,0,0,0,0|1,0,0]=3 820 B8R1.7 CC(=O)C1=CC=CO1 088461 [0,2,0,0,0,0|0,0,0]=2 821 B8R1.7 CC(=O)C1=CC=CS1 005042 [0,2,0,0,0,0|0,1,0]=3 822 B8R1.7 CC(=O)C1=CSC=C1 013392 [0,2,0,0,0,0|2,0,0]=4 823 B8R1.7 CC(=O)C1=NC=CS1 002759 [0,2,0,0,0,0|1,1,0]=4 824 B8R1.7 CC(C)C1=NC=CN1 235680 [0,2,0,0,0,0|2,0,0]=4 825 B8R1.7 CC(N)C1=CC=CS1 044441 [0,2,0,0,0,0|0,1,0]=3 826 B8R1.7 NC(=O)C1=CC=CO1 317695 [0,2,0,0,0,0|0,0,1]=3 827 B8R1.7 NC(=O)C1=CC=CS1 336641 [0,2,0,0,0,0|0,1,1]=4 828 B8R1.7 NC(=S)C1=CC=CN1 097983 [0,2,0,0,0,0|1,0,1]=4 829 B8R1.7 NC(=S)C1=CC=CO1 068584 [0,2,0,0,0,0|0,0,1]=3 830 B8R1.7 NC(=S)C1=CC=CS1 021348 [0,2,0,0,0,0|0,1,1]=4 831 B8R1.7 O=C(Cl)C1=CC=CO1 024674 [0,2,0,0,0,0|0,0,1]=3 832 B8R1.7 O=C(Cl)C1=CC=CS1 099110 [0,2,0,0,0,0|0,1,1]=4 833 B8R1.7 O=C(O)C1=CC=CN1 066141 [0,2,0,0,0,0|1,0,1]=4 834 B8R1.7 O=C(O)C1=CC=CO1 093393 [0,2,0,0,0,0|0,0,1]=3 835 B8R1.7 O=C(O)C1=CC=CS1 003042 [0,2,0,0,0,0|0,1,1]=4 836 B8R1.7 O=C(O)C1=CC=NO1 017345 [0,2,0,0,0,0|1,0,1]=4 837 B8R1.7 O=C(O)C1=NC=CO1 047101 [0,2,0,0,0,0|1,0,1]=4 838 B8R1.7 O=[N+]([O-])C1=CC=CS1 001317 [0,2,0,0,0,0|1,1,0]=4 839 B8R1.7 OB(O)C1=CC=CO1 010999 [0,2,0,0,0,0|1,0,0]=3 840 B8R1.8 CCCC1=CC=CS1 003676 [0,2,0,0,0,0|0,1,0]=3 841 B8R1.8 CCOC1=NC=CS1 002763 [0,2,0,0,0,0|1,1,0]=4 842 B8R1.8 CNCC1=CC=CO1 226183 [0,2,0,0,0,0|0,0,0]=2 843 B8R1.8 CNCC1=CC=CS1 065484 [0,2,0,0,0,0|0,1,0]=3 844 B8R1.8 ClCCN1C=CC=C1 046765 [0,2,0,0,0,0|2,0,0]=4 845 B8R1.8 N#CCC1=CC=CS1 003048 [0,2,0,0,0,0|0,1,0]=3 846 B8R1.8 N#CCC1=CSC=C1 046894 [0,2,0,0,0,0|2,0,0]=4 847 B8R1.8 NCCC1=CC=CS1 021380 [0,2,0,0,0,0|0,1,0]=3 848 B8R1.8 NCCC1=CNC=N1 068673 [0,2,0,0,0,0|2,0,0]=4 849 B8R1.8 NCCC1=CNC=N1 078943 [0,2,0,0,0,0|2,0,0]=4 850 B8R1.8 OCCC1=CC=CS1 208753 [0,2,0,0,0,0|0,1,0]=3 851 B8R1.8 OCCC1=CSC=C1 076012 [0,2,0,0,0,0|2,0,0]=4 852 B8R1.8 OCCN1C=CC=N1 036257 [0,2,0,0,0,0|2,0,0]=4 853 B8R1.11 CC1=C(C=O)NC=N1 065296 [0,2,0,0,0,0|2,0,0]=4 854 B8R1.11 CC1=C(C=O)SC=C1 024308 [0,2,0,0,0,0|0,1,1]=4 855 B8R1.11 CC1=C(C=O)SC=N1 043360 [0,2,0,0,0,0|2,0,0]=4 856 B8R1.11 CC1=C(CO)NC=N1 077905 [0,2,0,0,0,0|2,0,0]=4 857 B8R1.11 CC1=C(CO)SC=N1 217920 [0,2,0,0,0,0|1,1,0]=4 858 B8R1.11 CC1=NNC=C1C#N 321453 [0,2,0,0,0,0|2,0,0]=4 859 B8R1.11 CN1C=CC=C1C=O 079662 [0,2,0,0,0,0|1,0,1]=4 860 B8R1.11 CN1C=CN=C1CN 041898 [0,2,0,0,0,0|2,0,0]=4 861 B8R1.11 CN1C=CN=C1CO 067732 [0,2,0,0,0,0|2,0,0]=4 862 B8R1.11 CN1C=NC=C1CO 236726 [0,2,0,0,0,0|2,0,0]=4 863 B8R1.11 CN1N=CC=C1C=O 031350 [0,2,0,0,0,0|2,0,0]=4 864 B8R1.11 N#CC1=C(Cl)C=CS1 017089 [0,2,0,0,0,0|0,1,1]=4 865 B8R1.11 N#CC1=C(N)SC=C1 017505 [0,2,0,0,0,0|1,1,0]=4 866 B8R1.11 O=CC1=C(Br)C=CS1 017210 [0,2,0,0,0,0|0,1,1]=4 867 B8R1.11 O=CC1=C(Cl)C=CS1 047547 [0,2,0,0,0,0|0,1,1]=4 868 B8R1.18 BrC1=CC(Br)=C(Br)S1 001452 [0,2,0,0,0,0|1,1,0]=4 869 B8R1.18 C=C1CC(=O)OC1=O 358473 [0,2,0,0,0,0|1,0,1]=4 870 B8R1.18 CC1=C(Br)N=C(Br)S1 220719 [0,2,0,0,0,0|1,1,0]=4 871 B8R1.18 CC1=C(C)NC(S)=N1 009935 [0,2,0,0,0,0|2,0,0]=4 872 B8R1.18 CC1=C(C)SC(N)=N1 014135 [0,2,0,0,0,0|1,1,0]=4 873 B8R1.18 CC1=C(C)SC(N)=N1 209385 [0,2,0,0,0,0|1,1,0]=4 874 B8R1.18 CC1=C(C)SC(S)=N1 009921 [0,2,0,0,0,0|1,1,0]=4 875 B8R1.18 CC1=CC(=O)OC1=O 236869 [0,2,0,0,0,0|1,0,0]=3 876 B8R1.18 CC1=CC(=O)OC1O 091998 [0,2,0,0,0,0|1,0,1]=4 877 B8R1.18 CC1=CC(C)=NN1C 019024 [0,2,0,0,0,0|2,0,0]=4 878 B8R1.18 CC1=CC(N)=NN1C 030210 [0,2,0,0,0,0|2,0,0]=4 879 B8R1.18 CC1=NC(C)=C(Br)S1 067367 [0,2,0,0,0,0|1,1,0]=4 880 B8R1.18 CC1=NN(C)C(N)=C1 017422 [0,2,0,0,0,0|2,0,0]=4 881 B8R1.18 CN1C=C(Br)C(Br)=N1 097623 [0,2,0,0,0,0|2,0,0]=4 882 B8R1.18 O=C1C=C(Br)C(=O)O1 092750 [0,2,0,0,0,0|1,0,0]=3 883 B8R1.50 CC1=C(Br)C(N)=NO1 017286 [0,2,0,0,0,0|1,0,0]=3 884 B8R1.50 CC1=C(C)C(N)=NO1 076966 [0,2,0,0,0,0|1,0,0]=3 885 B8R1.50 CC1=C(C)C(O)=NO1 180028 [0,2,0,0,0,0|1,0,0]=3 886 B8R1.50 CC1=NNC(C)=C1Br 017107 [0,2,0,0,0,0|2,0,0]=4 887 B8R1.50 CC1=NNC(C)=C1C 311762 [0,2,0,0,0,0|2,0,0]=4 888 B8R1.50 CC1=NNC(C)=C1Cl 026201 [0,2,0,0,0,0|2,0,0]=4 889 B8R1.50 CC1=NOC(C)=C1Br 017251 [0,2,0,0,0,0|1,0,0]=3 890 B8R1.50 CC1=NOC(C)=C1I 023250 [0,2,0,0,0,0|1,0,0]=3 891 B8R1.50 CN1N=CC(Br)=C1N 005503 [0,2,0,0,0,0|2,0,0]=4 892 B6R1.1 C1=CC=CC=C1 099466 [0,0,1,1,0,0|1,0,1]=4 893 B6R1.1 C1=CC=CC=C1 101960 [0,0,1,1,0,0|1,0,1]=4 894 B6R1.1 C1=CC=NC=C1 002844 [0,0,1,1,0,0|1,0,1]=4 895 B6R1.1 C1=CC=NC=C1 005154 [0,0,1,1,0,0|1,0,1]=4 896 B6R1.1 C1=CC=NC=C1 013123 [0,0,1,1,0,0|1,0,1]=4 897 B6R1.1 C1=CC=NC=C1 034521 [0,0,1,1,0,0|1,0,1]=4 898 B6R1.1 C1=CC=NC=C1 044990 [0,0,1,1,0,0|1,0,1]=4 899 B6R1.1 C1=CC=NC=C1 068549 [0,0,1,1,0,0|1,0,1]=4 900 B6R1.1 C1=CC=NC=C1 094222 [0,0,1,1,0,0|1,0,1]=4 901 B6R1.1 C1=CC=NC=C1 098889 [0,0,1,1,0,0|1,0,1]=4 902 B6R1.1 C1=CC=NC=C1 106150 [0,0,1,1,0,0|1,0,1]=4 903 B6R1.1 C1=CC=NN=C1 079215 [0,0,1,1,0,0|2,0,0]=4 904 B6R1.1 C1=CCC=CC1 102018 [0,0,1,1,0,0|1,0,1]=4 905 B6R1.1 C1=CCCC=C1 123000 [0,0,1,1,0,0|1,0,0]=3 906 B6R1.1 C1=COCCC1 130700 [0,0,1,1,0,0|0,0,2]=4 907 B8R2.34 C1=CC2C=CC1C2 304282 [0,0,0,1,0,1|1,0,1]=4 908 B4R1.2 CC1CO1 099315 [0,0,0,0,2,0|0,0,2]=4 909 B4R1.2 C[C@@H]1CO1 044883 [0,0,0,0,2,0|0,0,2]=4 910 B4R1.2 C[C@H]1CO1 216312 [0,0,0,0,2,0|0,0,2]=4