0 B7R1.1 C(=O)C1=CC=CS1 003419 [0,0,0,0,0,0|0,1,2]=3 1 B7R1.1 CCC1=CC=CN1 002567 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.1 CCC1=CC=CS1 001177 [0,0,0,0,0,0|1,1,0]=2 3 B7R1.1 CCC1=CSC=C1 006141 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.1 CCC1=NC=CN1 018684 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.1 CCC1=NCCO1 336609 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.1 CCN1C=CC=C1 002566 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.1 CCN1C=CC=N1 068645 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 CCN1C=CN=C1 078976 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.1 COC1=CSC=C1 013627 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.1 COC1=NC=CS1 009621 [0,0,0,0,0,0|3,1,0]=4 11 B7R1.1 CSC1=NC=CS1 009622 [0,0,0,0,0,0|3,1,0]=4 12 B7R1.1 ClCC1=CNC=N1 016135 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.1 ClCC1=CSC=N1 013925 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.1 ClCC1=NC=CN1 023425 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.1 N#CC1=CC=CN1 024315 [0,0,0,0,0,0|2,0,1]=3 16 B7R1.1 N#CC1=CC=CS1 008056 [0,0,0,0,0,0|1,1,1]=3 17 B7R1.1 N#CC1=CNC=N1 049353 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.1 N#CC1=CSC=C1 049749 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.1 N#CC1=NC=CN1 234256 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.1 NCC1=CC=CO1 358202 [0,0,0,0,0,0|1,0,0]=1 21 B7R1.1 NCC1=CC=CS1 092186 [0,0,0,0,0,0|1,1,0]=2 22 B7R1.1 NCC1=CN=CO1 076442 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.1 NCC1=COC=N1 219245 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.1 NCC1=NC=CS1 013114 [0,0,0,0,0,0|2,1,0]=3 25 B7R1.1 NCC1=NNC=C1 043021 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.1 O=CC1=CC=CN1 043867 [0,0,0,0,0,0|1,0,2]=3 27 B7R1.1 O=CC1=CC=CO1 053252 [0,0,0,0,0,0|0,0,2]=2 28 B7R1.1 O=CC1=CC=CO1 104085 [0,0,0,0,0,0|0,0,2]=2 29 B7R1.1 O=CC1=CC=NN1 046433 [0,0,0,0,0,0|2,0,2]=4 30 B7R1.1 O=CC1=CN=CS1 016172 [0,0,0,0,0,0|1,1,2]=4 31 B7R1.1 O=CC1=CNC=N1 065293 [0,0,0,0,0,0|2,0,2]=4 32 B7R1.1 O=CC1=CSC=C1 045073 [0,0,0,0,0,0|2,0,2]=4 33 B7R1.1 O=CC1=CSC=N1 016171 [0,0,0,0,0,0|2,0,2]=4 34 B7R1.1 O=CC1=NC=CN1 011781 [0,0,0,0,0,0|2,0,2]=4 35 B7R1.1 O=CC1=NC=CS1 046294 [0,0,0,0,0,0|1,1,2]=4 36 B7R1.1 OCC1=CC=CO1 143000 [0,0,0,0,0,0|0,0,0]=0 37 B7R1.1 OCC1=CC=CS1 208652 [0,0,0,0,0,0|0,1,0]=1 38 B7R1.1 OCC1=CN=CS1 016175 [0,0,0,0,0,0|1,1,0]=2 39 B7R1.1 OCC1=CNC=N1 016121 [0,0,0,0,0,0|2,0,0]=2 40 B7R1.1 OCC1=CNC=N1 067734 [0,0,0,0,0,0|2,0,0]=2 41 B7R1.1 OCC1=COC=C1 092657 [0,0,0,0,0,0|2,0,0]=2 42 B7R1.1 OCC1=CSC=C1 067714 [0,0,0,0,0,0|2,0,0]=2 43 B7R1.1 OCC1=CSC=N1 016174 [0,0,0,0,0,0|2,0,0]=2 44 B7R1.1 OCC1=NC=CS1 067720 [0,0,0,0,0,0|1,1,0]=2 45 B7R1.1 OCC1CCCO1 235709 [0,0,0,0,0,0|0,0,4]=4 46 B7R1.1 OCN1C=CC=N1 078295 [0,0,0,0,0,0|2,0,0]=2 47 B7R1.1 OC[C@H]1CCCO1 304017 [0,0,0,0,0,0|0,0,4]=4 48 B7R1.1 SCC1=CC=CO1 002796 [0,0,0,0,0,0|0,1,0]=1 49 B7R1.1 SCC1=CC=CS1 104865 [0,0,0,0,0,0|0,2,0]=2 50 B6R1.2 BrC1=CC=CO1 067357 [1,0,0,0,0,0|1,0,0]=2 51 B6R1.2 BrC1=CC=CS1 001055 [1,0,0,0,0,0|1,1,0]=3 52 B6R1.2 BrC1=CNC=N1 047684 [1,0,0,0,0,0|3,0,0]=4 53 B6R1.2 BrC1=COC=C1 013445 [1,0,0,0,0,0|3,0,0]=4 54 B6R1.2 BrC1=CSC=C1 003082 [1,0,0,0,0,0|3,0,0]=4 55 B6R1.2 BrC1=CSC=N1 016178 [1,0,0,0,0,0|3,0,0]=4 56 B6R1.2 BrC1=NC=CS1 021802 [1,0,0,0,0,0|2,1,0]=4 57 B6R1.2 BrC1=NNC=C1 079925 [1,0,0,0,0,0|3,0,0]=4 58 B6R1.2 CC1=CC=CN1 214609 [1,0,0,0,0,0|1,0,0]=2 59 B6R1.2 CC1=CC=CO1 463359 [1,0,0,0,0,0|0,0,0]=1 60 B6R1.2 CC1=CC=CS1 001209 [1,0,0,0,0,0|0,1,0]=2 61 B6R1.2 CC1=CCCC1 103763 [1,0,0,0,0,0|1,0,2]=4 62 B6R1.2 CC1=CNC=N1 078608 [1,0,0,0,0,0|2,0,0]=3 63 B6R1.2 CC1=CNN=C1 043307 [1,0,0,0,0,0|3,0,0]=4 64 B6R1.2 CC1=COC=N1 224056 [1,0,0,0,0,0|2,0,0]=3 65 B6R1.2 CC1=CSC=C1 003448 [1,0,0,0,0,0|2,0,0]=3 66 B6R1.2 CC1=CSC=N1 002765 [1,0,0,0,0,0|2,0,0]=3 67 B6R1.2 CC1=NC=CN1 157400 [1,0,0,0,0,0|2,0,0]=3 68 B6R1.2 CC1=NCCO1 099141 [1,0,0,0,0,0|1,0,2]=4 69 B6R1.2 CC1=NNC=C1 033183 [1,0,0,0,0,0|2,0,0]=3 70 B6R1.2 CN1C=CC=C1 044896 [1,0,0,0,0,0|2,0,0]=3 71 B6R1.2 CN1C=CC=N1 046854 [1,0,0,0,0,0|2,0,0]=3 72 B6R1.2 CN1C=CN=C1 005002 [1,0,0,0,0,0|3,0,0]=4 73 B6R1.2 CN1C=CN=C1 245803 [1,0,0,0,0,0|3,0,0]=4 74 B6R1.2 CN1C=NC=N1 043664 [1,0,0,0,0,0|3,0,0]=4 75 B6R1.2 ClC1=CC=CS1 002954 [1,0,0,0,0,0|1,1,0]=3 76 B6R1.2 ClC1=CSC=C1 001747 [1,0,0,0,0,0|3,0,0]=4 77 B6R1.2 IC1=CC=CS1 001058 [1,0,0,0,0,0|1,1,0]=3 78 B6R1.2 IC1=CNC=N1 067394 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 IC1=CSC=C1 079489 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 IC1=NNC=C1 046994 [1,0,0,0,0,0|3,0,0]=4 81 B6R1.2 NC1=CSC=C1 049735 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 NC1=NC=CN1 013113 [1,0,0,0,0,0|3,0,0]=4 83 B6R1.2 NC1=NC=CN1 076511 [1,0,0,0,0,0|3,0,0]=4 84 B6R1.2 NC1=NC=CO1 043635 [1,0,0,0,0,0|2,0,0]=3 85 B6R1.2 NC1=NC=CS1 078568 [1,0,0,0,0,0|2,1,0]=4 86 B6R1.2 NC1=NNC=C1 035587 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 NC1=NOC=C1 064896 [1,0,0,0,0,0|3,0,0]=4 88 B6R1.2 NN1C=CC=C1 105200 [1,0,0,0,0,0|3,0,0]=4 89 B6R1.2 O=C1C=CCC1 049816 [1,0,0,0,0,0|1,0,2]=4 90 B6R1.2 O=C1C=CCO1 095003 [1,0,0,0,0,0|0,0,2]=3 91 B6R1.2 OC1CC=CC1 011661 [1,0,0,0,0,0|1,0,2]=4 92 B6R1.2 S=C1NC=CS1 180040 [1,0,0,0,0,0|1,2,0]=4 93 B6R1.2 SC1=CC=CS1 018767 [1,0,0,0,0,0|0,2,0]=3 94 B8R1.1 CC1=CC(CN)=NO1 094980 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.1 CC1=CC(CN)=NO1 358781 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.1 CC1=CC(CO)=NO1 017477 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.1 CC1=CC=C(C=O)O1 216646 [0,1,0,0,0,0|0,0,2]=3 98 B8R1.1 CC1=CC=C(C=O)S1 045074 [0,1,0,0,0,0|0,1,2]=4 99 B8R1.1 CC1=CC=C(CN)O1 225706 [0,1,0,0,0,0|1,0,0]=2 100 B8R1.1 CC1=CC=C(CO)O1 013649 [0,1,0,0,0,0|0,0,0]=1 101 B8R1.1 CC1=CC=C(CO)S1 362444 [0,1,0,0,0,0|0,1,0]=2 102 B8R1.1 CC1=CSC(C#N)=C1 023897 [0,1,0,0,0,0|1,1,1]=4 103 B8R1.1 CC1=CSC(CN)=C1 023898 [0,1,0,0,0,0|1,1,0]=3 104 B8R1.1 CC1=NC(CCl)=CS1 016133 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.1 CC1=NNC(CN)=C1 058640 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.1 CC1=NOC(CCl)=N1 219873 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.1 CCC1=NC=C(C)N1 403581 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.1 CCC1=NN=C(N)O1 009901 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.1 CN1C=CC(CN)=N1 030355 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.1 ClCC1=CN=C(Cl)S1 016115 [0,1,0,0,0,0|2,1,0]=4 111 B8R1.1 N#CC1=CC(Br)=CS1 043667 [0,1,0,0,0,0|1,1,1]=4 112 B8R1.1 NCC1=CC(Br)=CS1 091824 [0,1,0,0,0,0|1,1,0]=3 113 B8R1.1 O=C1CC[C@@H](CO)O1 040029 [0,1,0,0,0,0|0,0,3]=4 114 B8R1.1 O=C1OCC(CO)O1 521458 [0,1,0,0,0,0|1,0,2]=4 115 B8R1.1 O=CC1=CC(Br)=CS1 019228 [0,1,0,0,0,0|0,1,2]=4 116 B8R1.1 O=CC1=CC=C(Br)O1 010657 [0,1,0,0,0,0|0,0,2]=3 117 B8R1.1 O=CC1=CC=C(Br)S1 065250 [0,1,0,0,0,0|0,1,2]=4 118 B8R1.1 O=CC1=CC=C(Cl)S1 013487 [0,1,0,0,0,0|0,1,2]=4 119 B8R1.1 OCC1=CN=C(Br)S1 079893 [0,1,0,0,0,0|1,1,0]=3 120 B8R1.7 CC(=O)C1=CC=CN1 002744 [0,1,0,0,0,0|1,0,2]=4 121 B8R1.7 CC(=O)C1=CC=CO1 088461 [0,1,0,0,0,0|0,0,2]=3 122 B8R1.7 CC(=O)C1=CC=CS1 005042 [0,1,0,0,0,0|0,1,2]=4 123 B8R1.7 CC(C)C1=NC=CN1 235680 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.7 CC(N)C1=CC=CS1 044441 [0,1,0,0,0,0|1,1,0]=3 125 B8R1.7 NC(=O)C1=CC=CO1 317695 [0,1,0,0,0,0|0,0,2]=3 126 B8R1.7 NC(=O)C1=CC=CS1 336641 [0,1,0,0,0,0|0,1,2]=4 127 B8R1.7 NC(=S)C1=CC=CN1 097983 [0,1,0,0,0,0|1,1,1]=4 128 B8R1.7 NC(=S)C1=CC=CO1 068584 [0,1,0,0,0,0|0,1,1]=3 129 B8R1.7 NC(=S)C1=CC=CS1 021348 [0,1,0,0,0,0|0,2,1]=4 130 B8R1.7 O=C(Cl)C1=CC=CO1 024674 [0,1,0,0,0,0|0,0,2]=3 131 B8R1.7 O=C(Cl)C1=CC=CS1 099110 [0,1,0,0,0,0|0,1,2]=4 132 B8R1.7 O=C(O)C1=CC=CN1 066141 [0,1,0,0,0,0|1,0,1]=3 133 B8R1.7 O=C(O)C1=CC=CO1 093393 [0,1,0,0,0,0|0,0,1]=2 134 B8R1.7 O=C(O)C1=CC=CS1 003042 [0,1,0,0,0,0|0,1,1]=3 135 B8R1.7 O=C(O)C1=CC=NO1 017345 [0,1,0,0,0,0|1,0,1]=3 136 B8R1.7 O=C(O)C1=CN=CS1 016173 [0,1,0,0,0,0|1,1,1]=4 137 B8R1.7 O=C(O)C1=CNC=C1 075258 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.7 O=C(O)C1=CNC=C1 104381 [0,1,0,0,0,0|2,0,1]=4 139 B8R1.7 O=C(O)C1=CNC=N1 011782 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.7 O=C(O)C1=COC=C1 024288 [0,1,0,0,0,0|2,0,1]=4 141 B8R1.7 O=C(O)C1=CSC=C1 003460 [0,1,0,0,0,0|2,0,1]=4 142 B8R1.7 O=C(O)C1=CSC=N1 023485 [0,1,0,0,0,0|2,0,1]=4 143 B8R1.7 O=C(O)C1=NC=CN1 043636 [0,1,0,0,0,0|2,0,1]=4 144 B8R1.7 O=C(O)C1=NC=CO1 047101 [0,1,0,0,0,0|1,0,1]=3 145 B8R1.7 O=C(O)C1=NC=CS1 046193 [0,1,0,0,0,0|1,1,1]=4 146 B8R1.7 O=C(O)C1=NNC=C1 014533 [0,1,0,0,0,0|2,0,1]=4 147 B8R1.7 O=[N+]([O-])C1=CC=CS1 001317 [0,1,0,0,0,0|1,1,1]=4 148 B8R1.7 OB(O)C1=CC=CO1 010999 [0,1,0,0,0,0|1,0,0]=2 149 B8R1.7 OB(O)C1=COC=C1 011038 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.7 OB(O)C1=CSC=C1 011010 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.8 CCCC1=CC=CS1 003676 [0,1,0,0,0,0|1,1,0]=3 152 B8R1.8 CCOC1=NC=CS1 002763 [0,1,0,0,0,0|2,1,0]=4 153 B8R1.8 CNCC1=CC=CO1 226183 [0,1,0,0,0,0|1,0,0]=2 154 B8R1.8 CNCC1=CC=CS1 065484 [0,1,0,0,0,0|1,1,0]=3 155 B8R1.8 COCN1C=CN=C1 242375 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.8 ClCCN1C=CC=C1 046765 [0,1,0,0,0,0|3,0,0]=4 157 B8R1.8 N#CCC1=CC=CS1 003048 [0,1,0,0,0,0|1,1,0]=3 158 B8R1.8 N#CCC1=CSC=C1 046894 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.8 NCCC1=CC=CS1 021380 [0,1,0,0,0,0|1,1,0]=3 160 B8R1.8 NCCC1=CNC=N1 068673 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.8 NCCC1=CNC=N1 078943 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.8 OCCC1=CC=CS1 208753 [0,1,0,0,0,0|0,1,0]=2 163 B8R1.8 OCCC1=CSC=C1 076012 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.8 OCCN1C=CC=N1 036257 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.8 OCCN1C=CN=C1 005948 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.11 CC1=C(C=O)SC=C1 024308 [0,1,0,0,0,0|0,1,2]=4 167 B8R1.11 CC1=C(CO)NC=N1 077905 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.11 CC1=C(CO)SC=N1 217920 [0,1,0,0,0,0|1,1,0]=3 169 B8R1.11 CN1C=CC=C1C=O 079662 [0,1,0,0,0,0|1,0,2]=4 170 B8R1.11 CN1C=CN=C1CN 041898 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.11 CN1C=CN=C1CO 067732 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.11 CN1C=NC=C1CO 236726 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.11 N#CC1=C(Cl)C=CS1 017089 [0,1,0,0,0,0|1,1,1]=4 174 B8R1.11 O=CC1=C(Br)C=CS1 017210 [0,1,0,0,0,0|0,1,2]=4 175 B8R1.11 O=CC1=C(Cl)C=CS1 047547 [0,1,0,0,0,0|0,1,2]=4 176 B6R0.1 C=COC(=O)CC 005111 [0,0,1,0,0,0|2,0,0]=3 177 B6R0.1 CCOC(=O)CO 227697 [0,0,1,0,0,0|1,0,2]=4 178 B6R0.6 C=CCCCCO 078461 [0,0,1,0,0,0|1,0,2]=4 179 B6R0.6 C=CCOCCO 099544 [0,0,1,0,0,0|0,0,2]=3 180 B6R0.6 CCC\C=C\C=O 098868 [0,0,1,0,0,0|1,0,2]=4 181 B6R0.6 CC\C=C/CCO 240925 [0,0,1,0,0,0|1,0,2]=4 182 B6R0.6 C\C=C\C=C\C=O 242913 [0,0,1,0,0,0|1,0,2]=4 183 B6R0.6 C\C=C\CCCO 433438 [0,0,1,0,0,0|1,0,2]=4 184 B8R1.2 BrCC1=CC=CC=C1 003666 [0,0,0,0,0,1|2,0,0]=3 185 B8R1.2 BrCC1=CC=CN=C1 214585 [0,0,0,0,0,1|2,0,0]=3 186 B8R1.2 BrCC1=CC=NC=C1 067829 [0,0,0,0,0,1|2,0,0]=3 187 B8R1.2 BrCC1=NC=CC=C1 067831 [0,0,0,0,0,1|2,0,0]=3 188 B8R1.2 BrCC1=NC=NC=C1 231198 [0,0,0,0,0,1|2,0,0]=3 189 B8R1.2 Br[Mg]C1=CC=CC=C1 103487 [0,0,0,0,0,1|3,0,0]=4 190 B8R1.2 Br[Mg]C1=CC=CC=C1 214282 [0,0,0,0,0,1|3,0,0]=4 191 B8R1.2 C#CC1=CC=CC=C1 003009 [0,0,0,0,0,1|2,0,1]=4 192 B8R1.2 C#CC1=CC=CN=C1 080053 [0,0,0,0,0,1|2,0,1]=4 193 B8R1.2 C#CC1=CC=NC=C1 047652 [0,0,0,0,0,1|2,0,1]=4 194 B8R1.2 C#CC1=NC=CC=C1 078381 [0,0,0,0,0,1|2,0,1]=4 195 B8R1.2 C=CC1=CC=CC=C1 520455 [0,0,0,0,0,1|2,0,1]=4 196 B8R1.2 CCC1=CC=CC=C1 094632 [0,0,0,0,0,1|2,0,0]=3 197 B8R1.2 CCC1=CC=CC=N1 098941 [0,0,0,0,0,1|2,0,0]=3 198 B8R1.2 CCC1=CC=CN=C1 242838 [0,0,0,0,0,1|2,0,0]=3 199 B8R1.2 CCC1=CC=NC=C1 319885 [0,0,0,0,0,1|2,0,0]=3 200 B8R1.2 CCC1=NC=CN=C1 002727 [0,0,0,0,0,1|2,0,0]=3 201 B8R1.2 CC[N+]1=CC=CC=C1 046807 [0,0,0,0,0,1|3,0,0]=4 202 B8R1.2 CNC1=CC=CC=C1 094625 [0,0,0,0,0,1|3,0,0]=4 203 B8R1.2 CNC1=CC=CN=C1 079398 [0,0,0,0,0,1|3,0,0]=4 204 B8R1.2 CNC1=CC=NC=C1 208626 [0,0,0,0,0,1|3,0,0]=4 205 B8R1.2 CNC1=NC=CC=C1 233304 [0,0,0,0,0,1|3,0,0]=4 206 B8R1.2 COC1=CC=CC=C1 M03556 [0,0,0,0,0,1|3,0,0]=4 207 B8R1.2 COC1=CC=CN=C1 079847 [0,0,0,0,0,1|3,0,0]=4 208 B8R1.2 COC1=CC=NC=C1 045194 [0,0,0,0,0,1|3,0,0]=4 209 B8R1.2 COC1=NC=CC=C1 045214 [0,0,0,0,0,1|3,0,0]=4 210 B8R1.2 COC1=NC=CN=C1 002749 [0,0,0,0,0,1|3,0,0]=4 211 B8R1.2 CSC1=CC=CC=C1 002945 [0,0,0,0,0,1|3,0,0]=4 212 B8R1.2 CSC1=NC=CN=C1 009618 [0,0,0,0,0,1|3,0,0]=4 213 B8R1.2 ClCC1=CC=CC=C1 106800 [0,0,0,0,0,1|2,0,0]=3 214 B8R1.2 ClCC1=CC=CC=N1 026180 [0,0,0,0,0,1|2,0,0]=3 215 B8R1.2 ClCC1=CC=CN=C1 043884 [0,0,0,0,0,1|2,0,0]=3 216 B8R1.2 ClCC1=CC=NC=C1 050512 [0,0,0,0,0,1|2,0,0]=3 217 B8R1.2 ClCC1=NC=CC=N1 038565 [0,0,0,0,0,1|2,0,0]=3 218 B8R1.2 ClCC1=NC=CC=N1 077592 [0,0,0,0,0,1|2,0,0]=3 219 B8R1.2 Cl[Hg]C1=CC=CC=C1 101463 [0,0,0,0,0,1|3,0,0]=4 220 B8R1.2 Cl[Se]C1=CC=CC=C1 005554 [0,0,0,0,0,1|3,0,0]=4 221 B8R1.2 N#CC1=CC=CC=C1 035786 [0,0,0,0,0,1|2,0,1]=4 222 B8R1.2 N#CC1=CC=CC=C1 102548 [0,0,0,0,0,1|2,0,1]=4 223 B8R1.2 N#CC1=CC=NC=C1 050349 [0,0,0,0,0,1|2,0,1]=4 224 B8R1.2 N#CC1=CN=CC=C1 234028 [0,0,0,0,0,1|2,0,1]=4 225 B8R1.2 N#CC1=NC=CC=C1 050348 [0,0,0,0,0,1|2,0,1]=4 226 B8R1.2 N#CC1=NC=CC=N1 019246 [0,0,0,0,0,1|2,0,1]=4 227 B8R1.2 N#CC1=NC=CN=C1 002755 [0,0,0,0,0,1|2,0,1]=4 228 B8R1.2 NCC1=CC=CC=C1 098408 [0,0,0,0,0,1|2,0,0]=3 229 B8R1.2 NCC1=CC=CC=C1 241882 [0,0,0,0,0,1|2,0,0]=3 230 B8R1.2 NCC1=CC=CN=C1 078185 [0,0,0,0,0,1|2,0,0]=3 231 B8R1.2 NCC1=CC=NC=C1 065475 [0,0,0,0,0,1|2,0,0]=3 232 B8R1.2 NCC1=CN=CC=N1 043597 [0,0,0,0,0,1|2,0,0]=3 233 B8R1.2 NCC1=NC=CC=C1 009750 [0,0,0,0,0,1|2,0,0]=3 234 B8R1.2 NNC1=CC=CC=C1 079470 [0,0,0,0,0,1|3,0,0]=4 235 B8R1.2 NNC1=CC=CC=C1 098902 [0,0,0,0,0,1|3,0,0]=4 236 B8R1.2 NNC1=CN=CC=C1 044299 [0,0,0,0,0,1|3,0,0]=4 237 B8R1.2 NNC1=NC=CC=C1 093675 [0,0,0,0,0,1|3,0,0]=4 238 B8R1.2 NNC1=NC=CC=N1 044297 [0,0,0,0,0,1|3,0,0]=4 239 B8R1.2 O=CC1=CC=CN=C1 065202 [0,0,0,0,0,1|1,0,2]=4 240 B8R1.2 O=CC1=CC=NC=C1 091501 [0,0,0,0,0,1|1,0,2]=4 241 B8R1.2 O=CC1=NC=CC=C1 065201 [0,0,0,0,0,1|1,0,2]=4 242 B8R1.2 O=NC1=CC=CC=C1 106182 [0,0,0,0,0,1|2,0,1]=4 243 B8R1.2 OCC1=CC=CC=C1 094986 [0,0,0,0,0,1|1,0,0]=2 244 B8R1.2 OCC1=CC=CC=C1 105725 [0,0,0,0,0,1|1,0,0]=2 245 B8R1.2 OCC1=CC=CN=C1 208628 [0,0,0,0,0,1|1,0,0]=2 246 B8R1.2 OCC1=CC=CN=N1 045003 [0,0,0,0,0,1|1,0,0]=2 247 B8R1.2 OCC1=CC=NC=C1 078602 [0,0,0,0,0,1|1,0,0]=2 248 B8R1.2 OCC1=NC=CC=C1 043374 [0,0,0,0,0,1|1,0,0]=2 249 B8R1.2 OCC1=NC=CC=N1 067743 [0,0,0,0,0,1|1,0,0]=2 250 B8R1.2 OCC1CC=CCC1 067775 [0,0,0,0,0,1|1,0,2]=4 251 B8R1.2 OCC1CCC=CO1 M02893 [0,0,0,0,0,1|0,0,2]=3 252 B8R1.2 SCC1=CC=CC=C1 098994 [0,0,0,0,0,1|1,1,0]=3 253 B8R1.2 [C-]#[N+]C1=CC=CC=C1 180012 [0,0,0,0,0,1|3,0,0]=4 254 B8R1.2 [O-]CC1=CC=CC=C1 105697 [0,0,0,0,0,1|1,0,1]=3 255 B5R0.1 C=C(C)OCC 471668 [1,0,1,0,0,0|0,0,2]=4 256 B5R0.1 C=COC(C)=O 098012 [1,0,1,0,0,0|1,0,0]=3 257 B5R0.1 CC(C)=CC=O 386384 [1,0,1,0,0,0|2,0,0]=4 258 B5R0.1 C\C=C\C(=O)O 092792 [1,0,1,0,0,0|0,0,2]=4 259 B5R0.2 C=CCCCO 164000 [1,0,1,0,0,0|0,0,2]=4 260 B5R0.2 C=COCCO 463043 [1,0,1,0,0,0|0,0,1]=3 261 B5R0.2 CC\C=C/CO 386381 [1,0,1,0,0,0|0,0,2]=4 262 B5R0.2 CC\C=C\C=O 466581 [1,0,1,0,0,0|0,0,2]=4 263 B5R0.2 C\C=C\C=C\C 046824 [1,0,1,0,0,0|1,0,0]=3 264 B5R0.2 C\C=C\OCC 103024 [1,0,1,0,0,0|0,0,2]=4 265 B5R0.2 OC\C=C/CO 095819 [1,0,1,0,0,0|0,0,1]=3 266 B5R0.2 OC\C=C/CO 098937 [1,0,1,0,0,0|0,0,1]=3 267 B5R0.3 C=C(CO)CO 079496 [1,0,1,0,0,0|1,0,1]=4 268 B5R0.3 C=CC(=O)OC 520477 [1,0,1,0,0,0|0,0,2]=4 269 B5R0.3 C=CC(O)CC 464567 [1,0,1,0,0,0|1,0,1]=4 270 B5R0.3 C=CC(O)CO 099464 [1,0,1,0,0,0|0,0,1]=3 271 B5R0.3 COC(=O)CO 227696 [1,0,1,0,0,0|1,0,1]=4 272 B5R1.1 C1=CNC=C1 034290 [2,0,0,0,0,0|1,0,0]=3 273 B5R1.1 C1=CNC=N1 021690 [2,0,0,0,0,0|2,0,0]=4 274 B5R1.1 C1=CNC=N1 104823 [2,0,0,0,0,0|2,0,0]=4 275 B5R1.1 C1=CNC=N1 222516 [2,0,0,0,0,0|2,0,0]=4 276 B5R1.1 C1=CNN=C1 032730 [2,0,0,0,0,0|2,0,0]=4 277 B5R1.1 C1=COC=C1 098439 [2,0,0,0,0,0|0,0,0]=2 278 B5R1.1 C1=COC=N1 091888 [2,0,0,0,0,0|1,0,0]=3 279 B5R1.1 C1=COCC1 051266 [2,0,0,0,0,0|0,0,2]=4 280 B5R1.1 C1=CON=C1 076552 [2,0,0,0,0,0|1,0,0]=3 281 B5R1.1 C1=CSC=C1 032744 [2,0,0,0,0,0|0,1,0]=3 282 B5R1.1 C1=CSC=N1 002766 [2,0,0,0,0,0|1,1,0]=4 283 B5R1.1 C1=CSN=C1 046382 [2,0,0,0,0,0|1,1,0]=4 284 B7R0.7 C=COC(=O)CCC 005032 [0,1,1,0,0,0|2,0,0]=4 285 B7R0.1 CC\C=C\C=C\C=O 242611 [0,1,1,0,0,0|1,0,1]=4 286 B7R0.4 CCC\C=C\C(=O)O 002797 [0,1,1,0,0,0|1,0,1]=4 287 B7R0.4 C\C=C\C=C\C(=O)O 104773 [0,1,1,0,0,0|1,0,1]=4 288 B7R1.2 BrC1=CC=C(Br)S1 001056 [1,1,0,0,0,0|1,1,0]=4 289 B7R1.2 CC1=CC(=O)CC1 078668 [1,1,0,0,0,0|1,0,1]=4 290 B7R1.2 CC1=CC(Br)=CS1 022016 [1,1,0,0,0,0|0,1,0]=3 291 B7R1.2 CC1=CC(Br)=NN1 079115 [1,1,0,0,0,0|2,0,0]=4 292 B7R1.2 CC1=CC(C)=NN1 037857 [1,1,0,0,0,0|2,0,0]=4 293 B7R1.2 CC1=CC(C)=NO1 023218 [1,1,0,0,0,0|1,0,0]=3 294 B7R1.2 CC1=CC(N)=NN1 005985 [1,1,0,0,0,0|2,0,0]=4 295 B7R1.2 CC1=CC(N)=NO1 227902 [1,1,0,0,0,0|1,0,0]=3 296 B7R1.2 CC1=CC=C(Br)S1 024230 [1,1,0,0,0,0|0,1,0]=3 297 B7R1.2 CC1=CC=C(C)N1 236653 [1,1,0,0,0,0|1,0,0]=3 298 B7R1.2 CC1=CC=C(C)S1 002791 [1,1,0,0,0,0|0,1,0]=3 299 B7R1.2 CC1=CC=C(I)S1 002582 [1,1,0,0,0,0|0,1,0]=3 300 B7R1.2 CC1=CCC(=O)O1 098871 [1,1,0,0,0,0|0,0,1]=3 301 B7R1.2 CC1=CCC(=O)O1 107050 [1,1,0,0,0,0|0,0,1]=3 302 B7R1.2 CC1=CN=C(Br)S1 067363 [1,1,0,0,0,0|1,1,0]=4 303 B7R1.2 CC1=CN=C(N)S1 011366 [1,1,0,0,0,0|1,1,0]=4 304 B7R1.2 CC1=CNC(Br)=N1 222056 [1,1,0,0,0,0|2,0,0]=4 305 B7R1.2 CC1=CNC(C)=N1 078094 [1,1,0,0,0,0|2,0,0]=4 306 B7R1.2 CC1=COC(N)=N1 016110 [1,1,0,0,0,0|2,0,0]=4 307 B7R1.2 CC1=CSC(Br)=N1 016134 [1,1,0,0,0,0|2,0,0]=4 308 B7R1.2 CC1=CSC(C)=N1 002760 [1,1,0,0,0,0|1,1,0]=4 309 B7R1.2 CC1=CSC(N)=N1 023295 [1,1,0,0,0,0|2,0,0]=4 310 B7R1.2 CC1=NC(Br)=CN1 209279 [1,1,0,0,0,0|2,0,0]=4 311 B7R1.2 CC1=NC=C(I)N1 077607 [1,1,0,0,0,0|2,0,0]=4 312 B7R1.2 CC1=NN(C)C=C1 038245 [1,1,0,0,0,0|2,0,0]=4 313 B7R1.2 CC1=NN=C(N)O1 009900 [1,1,0,0,0,0|2,0,0]=4 314 B7R1.2 CC1=NSC(N)=C1 021671 [1,1,0,0,0,0|2,0,0]=4 315 B7R1.2 CN1C=C(Br)C=N1 033223 [1,1,0,0,0,0|2,0,0]=4 316 B7R1.2 CN1C=C(I)C=N1 067375 [1,1,0,0,0,0|2,0,0]=4 317 B7R1.2 CN1C=C(N)C=N1 030187 [1,1,0,0,0,0|2,0,0]=4 318 B7R1.2 CN1C=CC(Br)=N1 093190 [1,1,0,0,0,0|2,0,0]=4 319 B7R1.2 CN1C=CC(Cl)=N1 044766 [1,1,0,0,0,0|2,0,0]=4 320 B7R1.2 CN1C=CC(I)=N1 047530 [1,1,0,0,0,0|2,0,0]=4 321 B7R1.2 CN1C=CC(N)=N1 025069 [1,1,0,0,0,0|2,0,0]=4 322 B7R1.2 ClC1=CC=C(Cl)S1 002955 [1,1,0,0,0,0|1,1,0]=4 323 B7R1.2 NC1=NC(O)=CS1 319245 [1,1,0,0,0,0|2,0,0]=4 324 B7R1.2 NC1=NNC(O)=C1 064901 [1,1,0,0,0,0|2,0,0]=4 325 B7R1.2 O=C1C=CC(=O)N1 011793 [1,1,0,0,0,0|1,0,1]=4 326 B7R1.2 O=C1C=CC(=O)O1 101524 [1,1,0,0,0,0|0,0,1]=3 327 B7R1.2 O=C1C=CC(=O)O1 241019 [1,1,0,0,0,0|0,0,1]=3 328 B7R1.4 BrC1=C(Br)SC=C1 024261 [1,1,0,0,0,0|1,1,0]=4 329 B7R1.4 CC1=C(Br)NC=N1 209278 [1,1,0,0,0,0|2,0,0]=4 330 B7R1.4 CC1=C(Br)SC=C1 013451 [1,1,0,0,0,0|1,1,0]=4 331 B7R1.4 CC1=C(C)SC=N1 002761 [1,1,0,0,0,0|1,1,0]=4 332 B7R1.4 CC1=C(Cl)SC=C1 024249 [1,1,0,0,0,0|1,1,0]=4 333 B7R1.4 CC1=CC=NN1C 026155 [1,1,0,0,0,0|2,0,0]=4 334 B7R1.4 CC1=CNN=C1O 312908 [1,1,0,0,0,0|2,0,0]=4 335 B7R1.4 CC1=CSC=C1Br 024231 [1,1,0,0,0,0|2,0,0]=4 336 B7R1.4 CC1=NC=CN1C 093937 [1,1,0,0,0,0|2,0,0]=4 337 B7R1.4 CC1=NNC=C1Br 064560 [1,1,0,0,0,0|2,0,0]=4 338 B7R1.4 CC1=NNC=C1I 093372 [1,1,0,0,0,0|2,0,0]=4 339 B7R1.4 CN1N=CC=C1N 030129 [1,1,0,0,0,0|2,0,0]=4 340 B7R1.4 ClC1=C(Cl)SC=C1 024868 [1,1,0,0,0,0|1,1,0]=4 341 B9R1.1 BrCC1=CC=C(Br)C=C1 001368 [0,1,0,0,0,1|2,0,0]=4 342 B9R1.1 BrCC1=CC=C(I)C=C1 018740 [0,1,0,0,0,1|2,0,0]=4 343 B9R1.1 CC1=CC=C(CBr)C=C1 227793 [0,1,0,0,0,1|2,0,0]=4 344 B9R1.1 CC1=CC=C(CCl)C=C1 088360 [0,1,0,0,0,1|2,0,0]=4 345 B9R1.1 CC1=CC=C(CN)C=C1 078842 [0,1,0,0,0,1|2,0,0]=4 346 B9R1.1 CC1=CC=C(CO)C=C1 216000 [0,1,0,0,0,1|1,0,0]=3 347 B9R1.1 CC1=CN=C(CN)C=N1 009009 [0,1,0,0,0,1|2,0,0]=4 348 B9R1.1 CCC1=CC=C(Br)C=C1 001119 [0,1,0,0,0,1|2,0,0]=4 349 B9R1.1 CCC1=CC=C(C)C=C1 235264 [0,1,0,0,0,1|2,0,0]=4 350 B9R1.1 CCC1=CC=C(Cl)C=C1 001266 [0,1,0,0,0,1|2,0,0]=4 351 B9R1.1 CCC1=CC=C(F)C=C1 018681 [0,1,0,0,0,1|2,0,0]=4 352 B9R1.1 CCC1=CC=C(I)C=C1 006113 [0,1,0,0,0,1|2,0,0]=4 353 B9R1.1 CCC1=CC=C(N)C=C1 099641 [0,1,0,0,0,1|2,0,0]=4 354 B9R1.1 CCC1=CC=C(O)C=C1 241020 [0,1,0,0,0,1|2,0,0]=4 355 B9R1.1 CCC1=CC=[N+]([O-])C=C1 180055 [0,1,0,0,0,1|2,0,0]=4 356 B9R1.1 CCC1=CN=C(C)C=C1 222089 [0,1,0,0,0,1|2,0,0]=4 357 B9R1.1 CCC1=NC=C(Br)C=C1 077907 [0,1,0,0,0,1|2,0,0]=4 358 B9R1.1 CCC1=NC=C(C)N=C1 225679 [0,1,0,0,0,1|2,0,0]=4 359 B9R1.1 ClC1=CC=C(CBr)C=C1 118700 [0,1,0,0,0,1|2,0,0]=4 360 B9R1.1 ClCC1=CC=C(Br)C=C1 002483 [0,1,0,0,0,1|2,0,0]=4 361 B9R1.1 ClCC1=CC=C(Cl)C=C1 079221 [0,1,0,0,0,1|2,0,0]=4 362 B9R1.1 ClCC1=CN=C(Cl)C=C1 019460 [0,1,0,0,0,1|2,0,0]=4 363 B9R1.1 FC1=CC=C(CBr)C=C1 002963 [0,1,0,0,0,1|2,0,0]=4 364 B9R1.1 FC1=CC=C(CCl)C=C1 006201 [0,1,0,0,0,1|2,0,0]=4 365 B9R1.1 FC1=CC=C(CS)C=C1 006206 [0,1,0,0,0,1|1,1,0]=4 366 B9R1.1 NC1=CC=C(CO)C=C1 092096 [0,1,0,0,0,1|1,0,0]=3 367 B9R1.1 NC1=CC=C(CO)C=N1 077326 [0,1,0,0,0,1|1,0,0]=3 368 B9R1.1 NC1=CC=C(CO)C=N1 104746 [0,1,0,0,0,1|1,0,0]=3 369 B9R1.1 NCC1=CC=C(Br)C=C1 042893 [0,1,0,0,0,1|2,0,0]=4 370 B9R1.1 NCC1=CC=C(Cl)C=C1 092218 [0,1,0,0,0,1|2,0,0]=4 371 B9R1.1 NCC1=CC=C(F)C=C1 006199 [0,1,0,0,0,1|2,0,0]=4 372 B9R1.1 NCC1=CC=C(O)C=C1 023452 [0,1,0,0,0,1|2,0,0]=4 373 B9R1.1 NCC1=CC=C(O)C=C1 047973 [0,1,0,0,0,1|2,0,0]=4 374 B9R1.1 NCC1=CN=C(Cl)C=C1 065444 [0,1,0,0,0,1|2,0,0]=4 375 B9R1.1 OCC1=CC=C(Br)C=C1 008822 [0,1,0,0,0,1|1,0,0]=3 376 B9R1.1 OCC1=CC=C(Cl)C=C1 008823 [0,1,0,0,0,1|1,0,0]=3 377 B9R1.1 OCC1=CC=C(F)C=C1 001624 [0,1,0,0,0,1|1,0,0]=3 378 B9R1.1 OCC1=CC=C(I)C=C1 093387 [0,1,0,0,0,1|1,0,0]=3 379 B9R1.1 OCC1=CC=C(O)C=C1 078884 [0,1,0,0,0,1|1,0,0]=3 380 B9R1.1 OCC1=CN=C(Cl)C=C1 067692 [0,1,0,0,0,1|1,0,0]=3 381 B9R1.1 OCC1=NC=C(Br)C=C1 036351 [0,1,0,0,0,1|1,0,0]=3 382 B9R1.1 SCC1=CC=C(Br)C=C1 024343 [0,1,0,0,0,1|1,1,0]=4 383 B9R1.1 SCC1=CC=C(Cl)C=C1 545320 [0,1,0,0,0,1|1,1,0]=4 384 B9R1.2 BrCC1=CC(Br)=CC=C1 001367 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.2 BrCC1=CC(I)=CC=C1 018739 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.2 CC1=CC=CC(CBr)=C1 067812 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.2 CC1=CC=CC(CN)=C1 008878 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.2 CC1=CC=CC(CO)=C1 102453 [0,1,0,0,0,1|1,0,0]=3 389 B9R1.2 CC1=CC=CC(CO)=N1 092614 [0,1,0,0,0,1|1,0,0]=3 390 B9R1.2 CCC1=CC(I)=CC=C1 037712 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.2 CCC1=CC=CC(Br)=C1 024168 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.2 CCC1=CC=CC(N)=C1 043276 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.2 CCC1=CC=CC(N)=N1 095025 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.2 ClC1=CC=CC(CBr)=C1 024563 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.2 FC1=CC=CC(CBr)=C1 002171 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.2 FC1=CC=CC(CCl)=C1 001632 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.2 FC1=CC=CC(CS)=C1 024342 [0,1,0,0,0,1|1,1,0]=4 398 B9R1.2 NC1=CC=CC(CO)=C1 008828 [0,1,0,0,0,1|1,0,0]=3 399 B9R1.2 NCC1=CC(Br)=CC=C1 075951 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.2 NCC1=CC(Cl)=CC=C1 008869 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.2 NCC1=CC(F)=CC=C1 006198 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.2 NCC1=CC(N)=NC=C1 077092 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.2 NCC1=CC=CC(Br)=C1 242605 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.2 NCC1=CC=CC(I)=C1 079620 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.2 NCC1=CC=CC(O)=C1 023455 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.2 NCC1=CN=CC(Cl)=C1 091239 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.2 NCC1=NC(Br)=CC=C1 215138 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.2 OCC1=CC(Br)=CC=C1 001365 [0,1,0,0,0,1|1,0,0]=3 409 B9R1.2 OCC1=CC(Br)=CN=C1 077270 [0,1,0,0,0,1|1,0,0]=3 410 B9R1.2 OCC1=CC(Cl)=CC=C1 001376 [0,1,0,0,0,1|1,0,0]=3 411 B9R1.2 OCC1=CC(F)=CC=C1 002170 [0,1,0,0,0,1|1,0,0]=3 412 B9R1.2 OCC1=NC(Cl)=CC=C1 067703 [0,1,0,0,0,1|1,0,0]=3 413 B9R1.2 OCC1=NC=CC(Br)=C1 075766 [0,1,0,0,0,1|1,0,0]=3 414 B9R1.2 SCC1=CC(Br)=CC=C1 024349 [0,1,0,0,0,1|1,1,0]=4 415 B9R1.6 BrC(Br)C1=CC=CC=C1 243023 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.6 CC(Br)C1=CC=CC=C1 001003 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.6 CC(C)C1=CC=CC=C1 094649 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.6 CC(C)C1=CC=NC=C1 024693 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.6 CC(C)C1=NC=CC=C1 078691 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.6 CC(N)C1=CC=CC=C1 208695 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.6 CC(N)C1=CC=NC=C1 030534 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.6 CC(N)C1=CC=NC=C1 097930 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.6 CC(N)C1=CN=CC=C1 030750 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.6 CC(N)C1=NC=CC=C1 060819 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.6 CC(O)C1=CC=CC=C1 098924 [0,1,0,0,0,1|1,0,0]=3 426 B9R1.6 CC(O)C1=CC=CN=C1 094012 [0,1,0,0,0,1|1,0,0]=3 427 B9R1.6 CC(O)C1=NC=CC=C1 088389 [0,1,0,0,0,1|1,0,0]=3 428 B9R1.6 C[C@@H](N)C1=CC=CC=C1 037431 [0,1,0,0,0,1|2,0,0]=4 429 B9R1.6 C[C@@H](N)C1=NC=CC=C1 078110 [0,1,0,0,0,1|2,0,0]=4 430 B9R1.6 C[C@@H](O)C1=CC=CC=C1 222634 [0,1,0,0,0,1|1,0,0]=3 431 B9R1.6 C[C@H](N)C1=CC=CC=C1 037432 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.6 FC(F)C1=CC=CC=C1 035819 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.6 FC(F)C1=CC=CC=N1 050442 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.6 FC(F)C1=CC=NC=C1 050447 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.6 FC(F)C1=CN=CC=C1 050443 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.6 O=C(O)C1=CC=CC=C1 102544 [0,1,0,0,0,1|1,0,1]=4 437 B9R1.6 O=C(O)C1=CC=CC=C1 237766 [0,1,0,0,0,1|1,0,1]=4 438 B9R1.6 O=C(O)C1=CC=CN=C1 106451 [0,1,0,0,0,1|1,0,1]=4 439 B9R1.6 O=C(O)C1=CC=NC=C1 045226 [0,1,0,0,0,1|1,0,1]=4 440 B9R1.6 O=C(O)C1=CN=CC=C1 214893 [0,1,0,0,0,1|1,0,1]=4 441 B9R1.6 O=C(O)C1=NC=CC=C1 043385 [0,1,0,0,0,1|1,0,1]=4 442 B9R1.6 O=C(O)C1=NC=CC=N1 043596 [0,1,0,0,0,1|1,0,1]=4 443 B9R1.6 O=C(O)C1=NC=CN=C1 066244 [0,1,0,0,0,1|1,0,1]=4 444 B9R1.6 O=C(O)C1=NC=NC=C1 066253 [0,1,0,0,0,1|1,0,1]=4 445 B9R1.6 O=C(O)C1=NN=CC=C1 047653 [0,1,0,0,0,1|1,0,1]=4 446 B9R1.6 O=[PH](O)C1=CC=CC=C1 003643 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.6 O=[Se](O)C1=CC=CC=C1 005551 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.6 OB(O)C1=CC=CC=C1 019491 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.6 OB(O)C1=CC=CN=C1 010819 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.6 OB(O)C1=CC=NC=C1 010820 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.6 OB(O)C1=CC=NC=C1 017173 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.8 BrCCC1=CC=CC=C1 019261 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.8 C#CCC1=CC=CC=C1 080054 [0,1,0,0,0,1|2,0,0]=4 454 B9R1.8 C=CCC1=CC=CC=C1 005425 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.8 CCCC1=CC=CC=C1 095067 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.8 CCCC1=CC=NC=C1 235894 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.8 CCCC1=NC=CC=C1 242850 [0,1,0,0,0,1|2,0,0]=4 458 B9R1.8 CCCC1=NC=CN=C1 002735 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.8 CCNC1=CC=CC=C1 216665 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.8 CCOC1=CC=CC=C1 098890 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.8 CCOC1=NC=CC=C1 049694 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.8 CCSC1=CC=CC=C1 001759 [0,1,0,0,0,1|2,0,0]=4 463 B9R1.8 CCSC1=NC=CC=C1 095363 [0,1,0,0,0,1|2,0,0]=4 464 B9R1.8 CNCC1=CC=CC=C1 020695 [0,1,0,0,0,1|2,0,0]=4 465 B9R1.8 CNCC1=CC=NC=C1 046176 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.8 CSCC1=CC=CC=C1 099640 [0,1,0,0,0,1|1,1,0]=4 467 B9R1.8 ClCCC1=CC=CC=C1 208883 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.8 ClCCC1=CC=CC=N1 070463 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.8 Cl[Mg]CC1=CC=CC=C1 103558 [0,1,0,0,0,1|2,0,0]=4 470 B9R1.8 ICCC1=CC=CC=C1 001087 [0,1,0,0,0,1|2,0,0]=4 471 B9R1.8 N#CCC1=NC=CC=C1 047908 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.8 NCCC1=CC=CC=C1 046873 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.8 NCCC1=CC=CN=C1 010689 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.8 NCCC1=CC=CN=C1 033239 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.8 NCCC1=CC=CN=C1 065473 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.8 NCCC1=CC=NC=C1 010690 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.8 NCCC1=NC=CC=C1 013702 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.8 NNCC1=CC=CC=C1 036859 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.8 NOCC1=CC=CC=C1 036957 [0,1,0,0,0,1|1,0,0]=3 480 B9R1.8 O=CCC1=CC=CC=C1 098878 [0,1,0,0,0,1|1,0,1]=4 481 B9R1.8 OCCC1=CC=CC=C1 222397 [0,1,0,0,0,1|1,0,0]=3 482 B9R1.8 OCCC1=CC=CN=C1 017523 [0,1,0,0,0,1|1,0,0]=3 483 B9R1.8 OCCC1=CC=NC=C1 228335 [0,1,0,0,0,1|1,0,0]=3 484 B9R1.8 OCCC1=NC=CC=C1 223718 [0,1,0,0,0,1|1,0,0]=3 485 B9R1.8 ONCC1=CC=CC=C1 091512 [0,1,0,0,0,1|1,0,0]=3 486 B9R1.8 ONCC1=CC=CC=C1 238633 [0,1,0,0,0,1|1,0,0]=3 487 B9R1.8 O\N=C\C1=CN=CC=C1 180049 [0,1,0,0,0,1|1,0,1]=4 488 B9R1.8 O\N=C\C1=NC=CC=C1 180048 [0,1,0,0,0,1|1,0,1]=4 489 B9R1.8 O\N=C\C1=NC=CC=C1 227229 [0,1,0,0,0,1|1,0,1]=4 490 B9R1.15 BrCC1=C(Br)C=CC=C1 001366 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.15 BrCC1=C(I)C=CC=C1 044924 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.15 CC1=CC=CC=C1CBr 227715 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.15 CC1=CC=CC=C1CN 227781 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.15 CC1=CC=CN=C1CCl 234089 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.15 CC1=CC=CN=C1CN 020197 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.15 CCC1=C(Br)C=CC=C1 018276 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.15 CCC1=C(Cl)C=CC=C1 018372 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.15 CCC1=C(I)C=CC=C1 001197 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.15 CCC1=C(N)C=CC=C1 043275 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.15 CCC1=C(S)C=CC=C1 001289 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.15 CCC1=CC=CC=C1O 240992 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.15 CCC1=CC=NC=C1C 188677 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.15 CCC1=NC=NC=C1F 079955 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.15 CCC1=[N+]([O-])C=CC=C1 032650 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.15 ClC1=C(CBr)C=CC=C1 001008 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.15 ClCC1=CC=CC=C1Cl 088365 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.15 FC1=C(CBr)C=CC=C1 006200 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.15 FC1=C(CCl)C=CC=C1 001422 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.15 FC1=C(CS)C=CC=C1 024341 [0,1,0,0,0,1|1,1,0]=4 510 B9R1.15 NC1=CC=CC=C1CO 036679 [0,1,0,0,0,1|1,0,0]=3 511 B9R1.15 NCC1=C(Cl)C=CC=C1 008868 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.15 NCC1=C(F)C=CC=C1 006197 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.15 NCC1=C(O)C=CC=C1 023454 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.15 NCC1=CC=CC=C1Br 065390 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.15 NCC1=CC=CC=C1N 076007 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.15 OC1=C(CBr)N=CC=C1 431436 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.15 OCC1=C(Cl)C=CC=C1 001375 [0,1,0,0,0,1|1,0,0]=3 518 B9R1.15 OCC1=C(F)C=CC=C1 006196 [0,1,0,0,0,1|1,0,0]=3 519 B9R1.15 OCC1=C(F)C=NC=C1 237155 [0,1,0,0,0,1|1,0,0]=3 520 B9R1.15 OCC1=C(S)C=CC=C1 001239 [0,1,0,0,0,1|1,0,0]=3 521 B9R1.15 OCC1=CC=CC=C1I 093337 [0,1,0,0,0,1|1,0,0]=3 522 B9R1.15 OCC1=CC=CC=C1O 078974 [0,1,0,0,0,1|1,0,0]=3 523 B9R1.15 OCC1=CC=CN=C1F 036274 [0,1,0,0,0,1|1,0,0]=3 524 B9R1.15 OCC1=NC=CC=C1O 092366 [0,1,0,0,0,1|1,0,0]=3 525 B9R1.15 SCC1=C(Br)C=CC=C1 024350 [0,1,0,0,0,1|1,1,0]=4 526 B9R1.21 O=CC1=CC=C(CO)O1 065253 [0,2,0,0,0,0|0,0,0]=2 527 B9R1.21 OCC1=CC=C(CO)O1 079832 [0,2,0,0,0,0|0,0,0]=2 528 B9R1.22 CC1=C(CCl)OC(=O)O1 079667 [0,2,0,0,0,0|2,0,0]=4 529 B9R1.22 CC1=CC(C)=NN1CO 031637 [0,2,0,0,0,0|2,0,0]=4 530 B9R1.35 CC1=CC=C(C(=O)O)O1 014513 [0,2,0,0,0,0|0,0,1]=3 531 B9R1.35 CC1=CC=C(C(=O)O)S1 045076 [0,2,0,0,0,0|0,1,1]=4 532 B9R1.35 CC1=CSC(B(O)O)=C1 011050 [0,2,0,0,0,0|1,1,0]=4 533 B9R1.35 CC1=CSC(C(=O)O)=C1 023894 [0,2,0,0,0,0|0,1,1]=4 534 B9R1.35 CC1=NC=C(C(=O)O)O1 227751 [0,2,0,0,0,0|1,0,1]=4 535 B9R1.35 CC1=NOC(C(=O)O)=C1 027734 [0,2,0,0,0,0|1,0,1]=4 536 B9R1.35 FC(F)C1=CC(Br)=CS1 024153 [0,2,0,0,0,0|1,1,0]=4 537 B9R1.35 O=C(O)C1=CC(Br)=CS1 028027 [0,2,0,0,0,0|0,1,1]=4 538 B9R1.35 O=C(O)C1=CC=C(Br)O1 020339 [0,2,0,0,0,0|0,0,1]=3 539 B9R1.35 O=C(O)C1=CC=C(Br)S1 114300 [0,2,0,0,0,0|0,1,1]=4 540 B9R1.35 O=C(O)C1=CC=C(Cl)S1 014515 [0,2,0,0,0,0|0,1,1]=4 541 B9R1.35 OB(O)C1=CC=C(Br)S1 045259 [0,2,0,0,0,0|1,1,0]=4 542 B9R1.11 CCC(=O)C1=CC=CN1 180052 [0,2,0,0,0,0|2,0,0]=4 543 B9R1.11 CCC(=O)C1=CC=CS1 001219 [0,2,0,0,0,0|1,1,0]=4 544 B9R1.11 COC(=O)C1=CC=CN1 012688 [0,2,0,0,0,0|1,0,1]=4 545 B9R1.11 COC(=O)C1=CC=CO1 001778 [0,2,0,0,0,0|0,0,1]=3 546 B9R1.11 COC(=O)C1=CC=CS1 011194 [0,2,0,0,0,0|0,1,1]=4 547 B9R1.11 NCC(O)C1=CC=CS1 019507 [0,2,0,0,0,0|0,1,0]=3 548 B9R1.11 NNC(=O)C1=CC=CO1 009944 [0,2,0,0,0,0|0,0,2]=4 549 B9R1.11 N\C(=N\O)C1=CC=CS1 017441 [0,2,0,0,0,0|0,1,1]=4 550 B9R1.11 O=C(CBr)C1=CC=CS1 064663 [0,2,0,0,0,0|1,1,0]=4 551 B9R1.11 O=C(O[Cu])C1=CC=CS1 043827 [0,2,0,0,0,0|0,1,1]=4 552 B9R1.19 FC(F)(F)C1=CC=CS1 019470 [0,2,0,0,0,0|1,1,0]=4 553 B9R1.41 CC1=C(B(O)O)SC=C1 092398 [0,2,0,0,0,0|1,1,0]=4 554 B9R1.41 CC1=C(C(=O)O)OC=N1 035897 [0,2,0,0,0,0|1,0,1]=4 555 B9R1.41 CC1=C(C(=O)O)SC=C1 045075 [0,2,0,0,0,0|0,1,1]=4 556 B9R1.41 CN1C=CC=C1C(=O)O 093156 [0,2,0,0,0,0|1,0,1]=4 557 B9R1.41 O=C(O)C1=C(Br)C=CS1 019423 [0,2,0,0,0,0|0,1,1]=4 558 B9R1.41 O=C(O)C1=C(Cl)C=CS1 017407 [0,2,0,0,0,0|0,1,1]=4 559 B9R1.41 O=C(O)C1=C(I)C=CS1 021666 [0,2,0,0,0,0|0,1,1]=4 560 B9R1.13 O=C(Cl)CC1=CC=CS1 003050 [0,2,0,0,0,0|0,1,1]=4 561 B9R1.13 O=C(O)CC1=CC=CS1 044684 [0,2,0,0,0,0|0,1,0]=3 562 B9R1.13 O=C(O)CC1=CSC=C1 079138 [0,2,0,0,0,0|2,0,0]=4 563 B9R1.13 O=C(O)CN1C=CC=C1 310772 [0,2,0,0,0,0|2,0,0]=4 564 B9R1.33 CC1=C(CCO)SC=N1 067726 [0,2,0,0,0,0|1,1,0]=4 565 B9R1.33 NC1=CC=NN1CCO 069979 [0,2,0,0,0,0|2,0,0]=4 566 B7R1.3 OC1=CC=CC=C1 098645 [0,0,1,1,0,0|1,0,1]=4 567 B7R1.3 OC1=CC=CC=C1 101882 [0,0,1,1,0,0|1,0,1]=4 568 B7R1.3 OC1=CC=CC=C1 102467 [0,0,1,1,0,0|1,0,1]=4 569 B7R1.3 OC1=CC=CN=C1 045225 [0,0,1,1,0,0|1,0,1]=4 570 B7R1.3 OC1=NC=CC=C1 003423 [0,0,1,1,0,0|2,0,0]=4 571 B7R1.24 C1=CC=CCC=C1 242090 [0,0,1,1,0,0|2,0,0]=4 572 B5R1.3 OCC1CO1 349304 [0,0,0,0,2,0|0,0,2]=4 573 B5R1.3 OC[C@@H]1CO1 208588 [0,0,0,0,2,0|0,0,2]=4 574 B5R1.3 OC[C@H]1CO1 091841 [0,0,0,0,2,0|0,0,2]=4