0 B12R1.252 CC(=O)COCC1=CC=CC=C1 222790 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 CC(=O)NCCC1=CC=CC=C1 240701 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 242318 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 242317 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.252 NC(=O)CCCC1=CC=CC=C1 342267 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.252 NC(=O)NCCC1=CC=CC=C1 180296 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.252 NC(=S)NCCC1=CC=CC=C1 010668 [0,0,0,0,0,0|2,1,0]=3 7 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 432089 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 318677 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.252 O=C(O)CCCC1=CC=CC=C1 214820 [0,0,0,0,0,0|0,0,0]=0 10 B12R1.252 O=C(O)CCNC1=CC=CC=C1 387000 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.252 O=C(O)CCSC1=CC=CC=C1 065695 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.252 O=C(O)CNCC1=CC=CC=C1 011446 [0,0,0,0,0,0|1,0,0]=1 13 B12R1.252 O=C(O)CSCC1=CC=CC=C1 003688 [0,0,0,0,0,0|1,0,0]=1 14 B11R1.28 BrCCCCC1=CC=CC=C1 008935 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.28 BrCCCOC1=CC=CC=C1 001213 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 BrCCOCC1=CC=CC=C1 214587 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 CCCCNC1=CC=CC=C1 236771 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.28 CCCCOC1=CC=CC=C1 001072 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.28 CNCCOC1=CC=CC=C1 023561 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.28 ClCCCSC1=CC=CC=C1 106017 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.28 ClCCOCC1=CC=CC=C1 222450 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.28 N#CCCNC1=CC=CC=C1 099472 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.28 NCCNCC1=CC=CC=C1 209057 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.28 NCCSCC1=CC=CC=C1 360466 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.28 O=C=NCCC1=CC=CC=C1 067795 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.28 O=CCOCC1=CC=CC=C1 209052 [1,0,0,0,0,0|1,0,0]=2 27 B11R1.28 OCCCCC1=CC=CC=C1 003411 [1,0,0,0,0,0|0,0,1]=2 28 B11R1.28 OCCCCC1=CC=NC=C1 032569 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.28 OCCNCC1=CC=CC=C1 235550 [1,0,0,0,0,0|1,0,1]=3 30 B11R1.28 OCCNCC1=CC=CN=C1 025443 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.28 OCCOCC1=CC=CC=C1 238804 [1,0,0,0,0,0|1,0,1]=3 32 B11R1.28 OCCSCC1=CC=CC=C1 003733 [1,0,0,0,0,0|1,0,1]=3 33 B11R1.28 S=C=NCCC1=CC=CC=C1 009560 [1,0,0,0,0,0|1,1,1]=4 34 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 207104 [0,1,0,0,0,0|0,0,1]=2 35 B13R1.45 O=C(O)CCC(=O)C1=NC=CC=C1 022971 [0,1,0,0,0,0|1,0,1]=3 36 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 065806 [0,1,0,0,0,0|1,0,1]=3 37 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 339689 [0,1,0,0,0,0|0,0,3]=4 38 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 234849 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 079376 [0,1,0,0,0,0|0,0,0]=1 40 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 011758 [0,1,0,0,0,0|0,0,0]=1 41 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O 033164 [0,1,0,0,0,0|0,0,0]=1 42 B13R1.351 O=C(O)C(=O)NCC1=CC=CC=C1 031901 [0,1,0,0,0,0|1,0,1]=3 43 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 011769 [0,1,0,0,0,0|0,0,0]=1 44 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 209780 [0,1,0,0,0,0|0,0,0]=1 45 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 077798 [0,1,0,0,0,0|0,0,0]=1 46 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 211802 [0,1,0,0,0,0|0,0,0]=1 47 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 032484 [0,1,0,0,0,0|0,0,0]=1 48 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 012266 [0,1,0,0,0,0|1,0,0]=2 49 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 001654 [0,1,0,0,0,0|1,0,0]=2 50 B13R1.513 O=C(O)CCSC1=CC=C(F)C=C1 003850 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.718 COC(=O)CCCC1=CC=CC=C1 341823 [0,1,0,0,0,0|0,0,0]=1 52 B13R1.718 COC(=O)CNCC1=CC=CC=C1 300050 [0,1,0,0,0,0|1,0,0]=2 53 B13R1.718 COC(=O)CSCC1=CC=CC=C1 094721 [0,1,0,0,0,0|1,0,0]=2 54 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 018941 [0,1,0,0,0,0|2,1,0]=4 55 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 024793 [0,0,0,1,0,0|2,0,0]=3 56 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 076021 [0,0,0,1,0,0|2,0,0]=3 57 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 003408 [0,0,0,1,0,0|1,0,2]=4 58 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 036412 [0,0,0,1,0,0|2,0,1]=4 59 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 029150 [0,0,0,1,0,0|0,0,0]=1 60 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 519151 [0,0,0,1,0,0|0,0,0]=1 61 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 224667 [0,0,0,1,0,0|2,0,1]=4 62 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 079086 [0,0,0,1,0,0|2,0,1]=4 63 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 209377 [0,0,0,1,0,0|2,0,1]=4 64 B13R2.3122 CC1(O)CCCC2=CC=CC=C21 373877 [0,0,0,1,0,0|1,0,1]=3 65 B11R1.91 CC(=N)SCC1=CC=CC=C1 471468 [0,0,0,0,1,0|3,0,0]=4 66 B11R1.91 CC(=O)CCC1=CC=CC=C1 454566 [0,0,0,0,1,0|1,0,0]=2 67 B11R1.91 CC(=O)NCC1=CC=NC=C1 032566 [0,0,0,0,1,0|3,0,0]=4 68 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 104115 [0,0,0,0,1,0|1,0,2]=4 69 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 234993 [0,0,0,0,1,0|1,0,2]=4 70 B11R1.91 CC(O)CCC1=CC=CC=C1 328963 [0,0,0,0,1,0|1,0,1]=3 71 B11R1.91 CC(O)COC1=CC=CC=C1 099908 [0,0,0,0,1,0|2,0,1]=4 72 B11R1.91 N=C(N)COC1=CC=CC=C1 017231 [0,0,0,0,1,0|3,0,0]=4 73 B11R1.91 N=C(N)SCC1=CC=CC=C1 099378 [0,0,0,0,1,0|3,0,0]=4 74 B11R1.91 NC(=O)CCC1=CC=CC=C1 353451 [0,0,0,0,1,0|1,0,0]=2 75 B11R1.91 NC(=O)COC1=CC=CC=C1 001028 [0,0,0,0,1,0|2,0,0]=3 76 B11R1.91 NC(=O)NCC1=CC=CC=C1 243198 [0,0,0,0,1,0|2,0,0]=3 77 B11R1.91 NC(=O)NCC1=CN=CC=C1 352454 [0,0,0,0,1,0|3,0,0]=4 78 B11R1.91 NC(=O)OCC1=CC=CC=C1 209067 [0,0,0,0,1,0|2,0,0]=3 79 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 240025 [0,0,0,0,1,0|1,0,2]=4 80 B11R1.91 NC(=S)NCC1=CC=CC=C1 018234 [0,0,0,0,1,0|2,1,0]=4 81 B11R1.91 NC(N)=NCC1=CC=CC=C1 047437 [0,0,0,0,1,0|3,0,0]=4 82 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 448612 [0,0,0,0,1,0|1,0,0]=2 83 B11R1.91 O=C(Cl)COC1=CC=CC=C1 099217 [0,0,0,0,1,0|2,0,0]=3 84 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 106076 [0,0,0,0,1,0|2,0,0]=3 85 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 M02865 [0,0,0,0,1,0|2,0,0]=3 86 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 099114 [0,0,0,0,1,0|1,0,2]=4 87 B11R1.91 O=C(O)C#CC1=CC=CC=C1 046965 [0,0,0,0,1,0|0,0,2]=3 88 B11R1.91 O=C(O)CCC1=CC=CC=C1 216287 [0,0,0,0,1,0|0,0,0]=1 89 B11R1.91 O=C(O)CCC1=CC=CC=N1 075030 [0,0,0,0,1,0|1,0,0]=2 90 B11R1.91 O=C(O)CCC1=CC=CN=C1 065995 [0,0,0,0,1,0|1,0,0]=2 91 B11R1.91 O=C(O)CCC1=CC=NC=C1 027685 [0,0,0,0,1,0|1,0,0]=2 92 B11R1.91 O=C(O)CNC1=CC=CC=C1 011837 [0,0,0,0,1,0|1,0,0]=2 93 B11R1.91 O=C(O)COC1=CC=CC=C1 222559 [0,0,0,0,1,0|1,0,0]=2 94 B11R1.91 O=C(O)CSC1=CC=CC=C1 001321 [0,0,0,0,1,0|1,0,0]=2 95 B11R1.91 O=C(O)CSC1=CC=NC=C1 358269 [0,0,0,0,1,0|2,0,0]=3 96 B11R1.91 O=C(O)CSC1=NC=CC=N1 013703 [0,0,0,0,1,0|3,0,0]=4 97 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 209013 [0,0,0,0,1,0|0,0,2]=3 98 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 003424 [0,0,0,0,1,0|1,0,2]=4 99 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 009848 [0,0,0,0,1,0|1,0,2]=4 100 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 009847 [0,0,0,0,1,0|1,0,2]=4 101 B11R1.91 O=C(O)\C=C\c1ccccc1 195963 [0,0,0,0,1,0|0,0,2]=3 102 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 180442 [0,0,0,0,0,1|1,0,0]=2 103 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 239588 [0,0,0,0,0,1|1,0,2]=4 104 B13R1.337 CN(C)CCNCC1=CC=CC=C1 105033 [0,0,0,0,0,1|3,0,0]=4 105 B13R1.337 NC(=S)NCCCC1=CC=CC=C1 018969 [0,0,0,0,0,1|1,1,0]=3 106 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 009825 [0,0,0,0,0,1|0,0,0]=1 107 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 042468 [0,0,0,0,0,1|0,0,0]=1 108 B13R1.337 O=C(O)\C=C\C=C\C1=CC=CC=C1 020638 [0,0,0,0,0,1|0,0,3]=4 109 B10R1.17 BrCCCC1=CC=CC=C1 113800 [2,0,0,0,0,0|1,0,0]=3 110 B10R1.17 BrCCOC1=CC=CC=C1 210427 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.17 BrCCSC1=CC=CC=C1 003535 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.17 C#CCCC1=CC=CC=C1 062967 [2,0,0,0,0,0|0,0,2]=4 113 B10R1.17 C(=O)NCC1=CC=CC=C1 300142 [2,0,0,0,0,0|1,0,0]=3 114 B10R1.17 C=CCCC1=CC=CC=C1 342184 [2,0,0,0,0,0|0,0,1]=3 115 B10R1.17 C=CCOC1=CC=CC=C1 242682 [2,0,0,0,0,0|1,0,1]=4 116 B10R1.17 C=CCSC1=CC=CC=C1 003665 [2,0,0,0,0,0|1,0,1]=4 117 B10R1.17 CCCCC1=CC=CC=C1 240933 [2,0,0,0,0,0|0,0,1]=3 118 B10R1.17 CCCC[N+]1=CC=CC=C1 237751 [2,0,0,0,0,0|1,0,1]=4 119 B10R1.17 CCCNC1=CC=CC=C1 324115 [2,0,0,0,0,0|1,0,1]=4 120 B10R1.17 CCCSC1=CC=CC=C1 094618 [2,0,0,0,0,0|1,0,1]=4 121 B10R1.17 CCNCC1=CC=CC=C1 239060 [2,0,0,0,0,0|1,0,1]=4 122 B10R1.17 CCOCC1=CC=CC=C1 240434 [2,0,0,0,0,0|1,0,1]=4 123 B10R1.17 CCSCC1=CC=CC=C1 094637 [2,0,0,0,0,0|1,0,1]=4 124 B10R1.17 CNCCC1=CC=CC=C1 046956 [2,0,0,0,0,0|1,0,1]=4 125 B10R1.17 ClCCCC1=CC=CC=C1 320132 [2,0,0,0,0,0|1,0,0]=3 126 B10R1.17 ClCCSC1=CC=CC=C1 003536 [2,0,0,0,0,0|2,0,0]=4 127 B10R1.17 ClCOCC1=CC=CC=C1 106900 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.17 ICCOC1=CC=CC=C1 313818 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.17 N#CCCC1=CC=CC=C1 337065 [2,0,0,0,0,0|1,0,1]=4 130 B10R1.17 NCCCC1=CC=CC=C1 008890 [2,0,0,0,0,0|1,0,0]=3 131 B10R1.17 NCCNC1=CC=CC=C1 320056 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.17 NCCOC1=CC=CC=C1 078737 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.17 O=CC#CC1=CC=CC=C1 079303 [2,0,0,0,0,0|0,0,2]=4 134 B10R1.17 O=CCCC1=CC=CC=C1 237467 [2,0,0,0,0,0|0,0,0]=2 135 B10R1.17 O=CNCC1=CC=CN=C1 032579 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.17 O=COCC1=CC=CC=C1 240742 [2,0,0,0,0,0|1,0,0]=3 137 B10R1.17 O=C\C=C\C1=CC=CC=C1 099129 [2,0,0,0,0,0|0,0,2]=4 138 B10R1.17 O=C\C=C\C1=CC=CC=C1 224150 [2,0,0,0,0,0|0,0,2]=4 139 B10R1.17 OCC#CC1=CC=CC=C1 166200 [2,0,0,0,0,0|0,0,2]=4 140 B10R1.17 OCCCC1=CC=CC=C1 241187 [2,0,0,0,0,0|0,0,0]=2 141 B10R1.17 OCCCC1=CC=CN=C1 032639 [2,0,0,0,0,0|1,0,0]=3 142 B10R1.17 OCCCC1=CC=NC=C1 093367 [2,0,0,0,0,0|1,0,0]=3 143 B10R1.17 OCCCC1=NC=CC=C1 234266 [2,0,0,0,0,0|1,0,0]=3 144 B10R1.17 OCCNC1=CC=CC=C1 240954 [2,0,0,0,0,0|1,0,0]=3 145 B10R1.17 OCCNC1=CC=NC=C1 034928 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.17 OCCNC1=NC=CC=C1 034929 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.17 OCCNC1=NC=CC=C1 061534 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.17 OCCOC1=CC=CC=C1 005091 [2,0,0,0,0,0|1,0,0]=3 149 B10R1.17 OCCSC1=CC=CC=C1 003534 [2,0,0,0,0,0|1,0,0]=3 150 B10R1.17 OC\C=C\C1=CC=CC=C1 237687 [2,0,0,0,0,0|0,0,2]=4 151 B12R1.1 CCCCCC1=CC=C(Br)C=C1 018302 [1,1,0,0,0,0|1,0,1]=4 152 B12R1.1 CCCCCC1=CC=C(Cl)C=C1 018420 [1,1,0,0,0,0|1,0,1]=4 153 B12R1.1 CCCCCC1=CC=C(F)C=C1 006311 [1,1,0,0,0,0|1,0,1]=4 154 B12R1.1 CCCCCC1=CC=C(I)C=C1 018749 [1,1,0,0,0,0|1,0,1]=4 155 B12R1.1 O=C=NCCC1=CC=C(F)C=C1 104409 [1,1,0,0,0,0|1,0,1]=4 156 B12R1.8 BrCCCCCC1=CC=CC=C1 008939 [1,1,0,0,0,0|1,0,1]=4 157 B12R1.8 CCCCCNC1=CC=CC=C1 099449 [1,1,0,0,0,0|1,0,1]=4 158 B12R1.8 CCCCCSC1=CC=CC=C1 094610 [1,1,0,0,0,0|1,0,1]=4 159 B12R1.8 CCCCNCC1=CC=CC=C1 001047 [1,1,0,0,0,0|1,0,1]=4 160 B12R1.8 OCCCCCC1=CC=CC=C1 242471 [1,1,0,0,0,0|0,0,1]=3 161 B12R1.8 OCCCOCC1=CC=CC=C1 224650 [1,1,0,0,0,0|0,0,1]=3 162 B12R1.8 S=C=NCCCC1=CC=CC=C1 009566 [1,1,0,0,0,0|0,1,1]=4 163 B12R1.27 OCC(O)COC1=CC=CC=C1 001784 [1,1,0,0,0,0|1,0,1]=4 164 B12R1.30 CCCCC(O)C1=CC=CC=C1 242321 [1,1,0,0,0,0|1,0,1]=4 165 B12R1.32 CN(CCO)CC1=CC=CC=C1 214692 [1,1,0,0,0,0|1,0,1]=4 166 B12R1.267 O=C=NCCC1=C(F)C=CC=C1 104408 [1,1,0,0,0,0|1,0,1]=4 167 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 003627 [0,1,0,0,1,0|1,0,0]=3 168 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 003767 [0,1,0,0,1,0|2,0,0]=4 169 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 023249 [0,1,0,0,1,0|2,0,0]=4 170 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 006345 [0,1,0,0,1,0|2,0,0]=4 171 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 018857 [0,1,0,0,1,0|0,0,0]=2 172 B12R1.21 CC1=CC=C(OCC(N)=O)C=C1 106072 [0,1,0,0,1,0|2,0,0]=4 173 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 042198 [0,1,0,0,1,0|1,0,0]=3 174 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 046849 [0,1,0,0,1,0|0,0,2]=4 175 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 103202 [0,1,0,0,1,0|1,0,0]=3 176 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 106325 [0,1,0,0,1,0|2,0,0]=4 177 B12R1.21 NC(=O)COC1=CC=C(F)C=C1 106307 [0,1,0,0,1,0|2,0,0]=4 178 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 002500 [0,1,0,0,1,0|0,0,0]=2 179 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 104178 [0,1,0,0,1,0|0,0,2]=4 180 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 239541 [0,1,0,0,1,0|0,0,2]=4 181 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 464926 [0,1,0,0,1,0|0,0,2]=4 182 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 477557 [0,1,0,0,1,0|1,0,0]=3 183 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 018312 [0,1,0,0,1,0|0,0,0]=2 184 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 121300 [0,1,0,0,1,0|0,0,0]=2 185 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 006340 [0,1,0,0,1,0|0,0,0]=2 186 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 033922 [0,1,0,0,1,0|0,0,0]=2 187 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 078730 [0,1,0,0,1,0|0,0,0]=2 188 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 216660 [0,1,0,0,1,0|1,0,0]=3 189 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 006318 [0,1,0,0,1,0|1,0,0]=3 190 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 358423 [0,1,0,0,1,0|1,0,0]=3 191 B12R1.21 O=C(O)CSC1=CC=C(Br)C=C1 033382 [0,1,0,0,1,0|1,0,0]=3 192 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 006343 [0,1,0,0,1,0|1,0,0]=3 193 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 001109 [0,1,0,0,1,0|0,0,2]=4 194 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 001144 [0,1,0,0,1,0|0,0,2]=4 195 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 001180 [0,1,0,0,1,0|0,0,2]=4 196 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 076727 [0,1,0,0,1,0|0,0,2]=4 197 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 195783 [0,1,0,0,1,0|0,0,2]=4 198 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O 209321 [0,1,0,0,1,0|0,0,1]=3 199 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 241185 [0,1,0,0,1,0|0,0,2]=4 200 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 M02966 [0,1,0,0,1,0|1,0,0]=3 201 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 093728 [0,1,0,0,1,0|0,0,0]=2 202 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 404464 [0,1,0,0,1,0|0,0,0]=2 203 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O M02961 [0,1,0,0,1,0|0,0,0]=2 204 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O M02934 [0,1,0,0,1,0|0,0,0]=2 205 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 433344 [0,1,0,0,1,0|0,0,0]=2 206 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 003388 [0,1,0,0,1,0|0,0,0]=2 207 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 013693 [0,1,0,0,1,0|0,0,2]=4 208 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O 222744 [0,1,0,0,1,0|1,0,0]=3 209 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 106600 [0,1,0,0,1,0|1,0,1]=4 210 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 320170 [0,1,0,0,1,0|2,0,0]=4 211 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 358190 [0,1,0,0,1,0|0,0,0]=2 212 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 034469 [0,1,0,0,1,0|0,0,0]=2 213 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 040244 [0,1,0,0,1,0|0,0,0]=2 214 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 103042 [0,1,0,0,1,0|0,0,0]=2 215 B12R1.125 CC1=C(OCC(N)=O)C=CC=C1 105772 [0,1,0,0,1,0|2,0,0]=4 216 B12R1.125 CC1=CC=CC=C1CCC(=O)O 018855 [0,1,0,0,1,0|0,0,0]=2 217 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O 340690 [0,1,0,0,1,0|0,0,2]=4 218 B12R1.125 NC(=O)COC1=C(Br)C=CC=C1 106163 [0,1,0,0,1,0|2,0,0]=4 219 B12R1.125 NC(=O)COC1=C(Cl)C=CC=C1 106330 [0,1,0,0,1,0|2,0,0]=4 220 B12R1.125 NC(=O)COC1=C(F)C=CC=C1 105773 [0,1,0,0,1,0|2,0,0]=4 221 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 009235 [0,1,0,0,1,0|0,0,0]=2 222 B12R1.125 O=C(O)CCC1=CC=CC=C1Br 018310 [0,1,0,0,1,0|0,0,0]=2 223 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl 018433 [0,1,0,0,1,0|0,0,0]=2 224 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 042079 [0,1,0,0,1,0|1,0,0]=3 225 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 103444 [0,1,0,0,1,0|1,0,0]=3 226 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 001107 [0,1,0,0,1,0|0,0,2]=4 227 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 001142 [0,1,0,0,1,0|0,0,2]=4 228 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F 001440 [0,1,0,0,1,0|0,0,2]=4 229 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O 375171 [0,1,0,0,1,0|0,0,2]=4 230 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 018856 [0,1,0,0,1,0|0,0,0]=2 231 B12R1.226 CC1=CC(OCC(N)=O)=CC=C1 106075 [0,1,0,0,1,0|2,0,0]=4 232 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 239535 [0,1,0,0,1,0|0,0,2]=4 233 B12R1.226 NC(=O)COC1=CC(Br)=CC=C1 069821 [0,1,0,0,1,0|2,0,0]=4 234 B12R1.226 NC(=O)COC1=CC(Cl)=CC=C1 403355 [0,1,0,0,1,0|2,0,0]=4 235 B12R1.226 NC(=O)COC1=CC(F)=CC=C1 106305 [0,1,0,0,1,0|2,0,0]=4 236 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 002499 [0,1,0,0,1,0|0,0,0]=2 237 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 018311 [0,1,0,0,1,0|0,0,0]=2 238 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 018434 [0,1,0,0,1,0|0,0,0]=2 239 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 018728 [0,1,0,0,1,0|0,0,0]=2 240 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 040411 [0,1,0,0,1,0|1,0,0]=3 241 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 001108 [0,1,0,0,1,0|0,0,2]=4 242 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 358032 [0,1,0,0,1,0|0,0,2]=4 243 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 209894 [0,1,0,0,1,0|0,0,2]=4 244 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 001441 [0,1,0,0,1,0|0,0,2]=4 245 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 020880 [0,1,0,0,1,0|1,0,1]=4 246 B12R1.891 O=S(=O)(O)CCC1=CC=CC=N1 342216 [0,1,0,0,1,0|2,0,0]=4 247 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 375189 [0,1,0,0,1,0|2,0,0]=4 248 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 022947 [0,1,0,0,1,0|1,0,1]=4 249 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 207105 [0,1,0,0,0,1|0,0,0]=2 250 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 009245 [0,1,0,0,0,1|0,0,0]=2 251 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 227958 [0,1,0,0,0,1|1,0,1]=4 252 B14R1.818 O=C(O)CC(=O)OCC1=CC=CC=C1 050956 [0,1,0,0,0,1|0,0,1]=3 253 B14R1.149 O=C(O)CCC(=O)C1=CC(F)=CC=C1 022951 [0,2,0,0,0,0|0,0,1]=3 254 B14R1.160 O=C(O)CNC(=O)C1=C(O)C=CC=C1 402446 [0,2,0,0,0,0|1,0,1]=4 255 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 341923 [0,2,0,0,0,0|0,0,1]=3 256 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O 224372 [0,2,0,0,0,0|1,0,1]=4 257 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 015823 [0,2,0,0,0,0|0,0,1]=3 258 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 238888 [0,2,0,0,0,0|1,0,1]=4 259 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 065694 [0,2,0,0,0,0|0,0,1]=3 260 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 118600 [0,2,0,0,0,0|0,0,1]=3 261 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 003122 [0,2,0,0,0,0|1,0,0]=3 262 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 106565 [0,2,0,0,0,0|1,0,0]=3 263 B14R1.813 O=C(O)CNS(=O)(=O)C1=CC=CC=C1 180936 [0,2,0,0,0,0|2,0,0]=4 264 B14R1.698 CC1=CC=C(NC(=O)CC(=O)O)C=C1 038977 [0,2,0,0,0,0|1,0,1]=4 265 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 241447 [0,2,0,0,0,0|0,0,0]=2 266 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 024299 [0,2,0,0,0,0|0,0,0]=2 267 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 235015 [0,2,0,0,0,0|0,0,0]=2 268 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 240679 [0,2,0,0,0,0|0,0,0]=2 269 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 011445 [0,2,0,0,0,0|1,0,0]=3 270 B14R1.520 CCOC(=O)CSCC1=CC=CC=C1 094710 [0,2,0,0,0,0|1,0,0]=3 271 B12R2.2 C1=CC=C(C2CCCN2)C=C1 021298 [1,0,0,1,0,0|1,0,1]=4 272 B12R2.41 C1=CC=C2NCCCCC2=C1 036434 [1,0,0,1,0,0|1,0,1]=4 273 B12R2.1081 NC1CCCC2=C1C=CC=C2 219818 [1,0,0,1,0,0|1,0,1]=4 274 B12R2.1081 NC1CCCC2=CC=CC=C21 048220 [1,0,0,1,0,0|1,0,1]=4 275 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 048221 [1,0,0,1,0,0|1,0,1]=4 276 B12R2.1081 O=C1CCCC2=C1C=CC=C2 208977 [1,0,0,1,0,0|0,0,0]=2 277 B12R2.1081 O=C1CCCC2=CC=CN=C12 040148 [1,0,0,1,0,0|1,0,0]=3 278 B12R2.1081 O=C1CCOC2=C1C=CC=C2 317966 [1,0,0,1,0,0|1,0,0]=3 279 B12R2.1081 O=C1OCCC2=C1C=CC=C2 209012 [1,0,0,1,0,0|1,0,0]=3 280 B12R2.1081 OC1CCCC2=C1N=CC=C2 040155 [1,0,0,1,0,0|1,0,1]=4 281 B12R2.1081 OC1CCCC2=CC=CC=C21 069137 [1,0,0,1,0,0|0,0,1]=3 282 B12R2.1081 OC1CCOC2=CC=CC=C21 104541 [1,0,0,1,0,0|1,0,1]=4 283 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 219879 [1,0,0,1,0,0|0,0,1]=3 284 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 219880 [1,0,0,1,0,0|0,0,1]=3 285 B12R2.24 O=C1C=CC2=CC=CC=C2O1 239149 [0,0,0,1,1,0|0,0,2]=4 286 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 012252 [0,0,0,1,1,0|1,0,0]=3 287 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 047953 [0,0,0,1,1,0|1,0,0]=3 288 B12R2.24 O=C1CCC2=CC=CC=C2O1 236946 [0,0,0,1,1,0|0,0,0]=2 289 B12R2.24 O=C1CNC2=CC=CC=C2N1 015374 [0,0,0,1,1,0|2,0,0]=4 290 B12R2.24 O=C1COC2=CC=CC=C2N1 012228 [0,0,0,1,1,0|2,0,0]=4 291 B12R2.24 O=C1CSC2=CC=CC=C2N1 011093 [0,0,0,1,1,0|2,0,0]=4 292 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 066601 [0,0,0,1,1,0|0,0,0]=2 293 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 036401 [0,0,0,1,0,1|0,0,2]=4 294 B14R2.2 O=C(O)CC1=CSC2=CC=CC=C12 233321 [0,0,0,1,0,1|0,0,2]=4 295 B14R2.2 O=C(O)CN1N=NC2=C1C=CC=C2 015252 [0,0,0,1,0,1|2,0,0]=4 296 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 048352 [0,0,0,1,0,1|1,0,0]=3 297 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 034309 [0,0,0,1,0,1|1,0,0]=3 298 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 040327 [0,0,0,1,0,1|1,0,0]=3 299 B14R2.19 OC1CCN(CC2=CC=CC=C2)C1 048305 [0,0,0,1,0,1|1,0,1]=4 300 B14R2.19 O[C@@H]1CCN(CC2=CC=CC=C2)C1 011444 [0,0,0,1,0,1|1,0,1]=4 301 B14R2.19 O[C@H]1CCN(CC2=CC=CC=C2)C1 011443 [0,0,0,1,0,1|1,0,1]=4 302 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 079606 [0,0,0,1,0,1|1,0,0]=3 303 B14R2.31359 O=C(O)C1NCCC2=CC=CC=C21 040330 [0,0,0,1,0,1|0,0,0]=2 304 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 242612 [0,1,0,1,0,0|1,0,0]=3 305 B14R2.25733 O=C1CC(C(=O)O)C2=CC=CC=C12 066562 [0,1,0,1,0,0|0,0,1]=3 306 B14R2.300 CC(=O)N1CCC2=CC(N)=CC=C21 009742 [0,1,0,1,0,0|2,0,0]=4 307 B14R2.8053 CC(=O)N1CCC2=CC=CC(N)=C21 021585 [0,1,0,1,0,0|2,0,0]=4 308 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 229107 [0,1,0,1,0,0|0,0,0]=2 309 B14R2.781 O=C(Cl)C1COC2=CC=CC=C2O1 017521 [0,1,0,1,0,0|2,0,0]=4 310 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 237411 [0,1,0,1,0,0|1,0,0]=3 311 B14R2.781 O=C(O)C1CNC2=CC=CC=C2O1 471334 [0,1,0,1,0,0|1,0,0]=3 312 B14R2.781 O=C(O)[C@@H]1CC2=CC=CC=C2CN1 040328 [0,1,0,1,0,0|1,0,0]=3 313 B14R2.781 OC(=O)C1CCC2=CC=CC=C2C1 019449 [0,1,0,1,0,0|0,0,0]=2 314 B14R2.781 [C@H]1(C(=O)O)COC2=CC=CC=C2O1 049582 [0,1,0,1,0,0|1,0,0]=3 315 B14R2.260 CC1N=C(C2=CC=CC=C2)OC1=O 011812 [0,1,0,1,0,0|1,0,1]=4 316 B14R2.741 CC1CNC2=C(C=CC=C2)NC1=O 026245 [0,1,0,1,0,0|2,0,0]=4 317 B14R2.380 NC1=CC=C2CCCC(=O)NC2=C1 040318 [0,1,0,1,0,0|1,0,0]=3 318 B14R2.5816 CC(=O)N1CCC2=CC=C(N)C=C21 021584 [0,1,0,1,0,0|2,0,0]=4 319 B14R2.95 COC(=O)C1=CCC2=CC=CC=C21 023353 [0,1,0,1,0,0|0,0,2]=4 320 B10R1.18 CC(=O)NC1=CC=CC=C1 098888 [0,0,0,0,2,0|2,0,0]=4 321 B10R1.18 CC(=O)NC1=CC=CC=C1 236729 [0,0,0,0,2,0|2,0,0]=4 322 B10R1.18 CC(=O)OC1=CC=CC=C1 106321 [0,0,0,0,2,0|2,0,0]=4 323 B10R1.18 CC(=O)SC1=CC=CC=C1 180205 [0,0,0,0,2,0|2,0,0]=4 324 B10R1.18 CC(O)CC1=CC=CC=C1 339985 [0,0,0,0,2,0|1,0,1]=4 325 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 036085 [0,0,0,0,2,0|1,0,1]=4 326 B10R1.18 C[C@H](O)CC1=CC=CC=C1 036086 [0,0,0,0,2,0|1,0,1]=4 327 B10R1.18 N=C(O)NC1=CC=CC=C1 364335 [0,0,0,0,2,0|2,0,0]=4 328 B10R1.18 NC(=O)CC1=CC=CC=C1 018952 [0,0,0,0,2,0|1,0,0]=3 329 B10R1.18 NC(=O)OC1=CC=CC=C1 180113 [0,0,0,0,2,0|2,0,0]=4 330 B10R1.18 NC(=S)CC1=CC=CC=C1 047341 [0,0,0,0,2,0|1,1,0]=4 331 B10R1.18 O=C(Cl)CC1=CC=CC=C1 099401 [0,0,0,0,2,0|1,0,0]=3 332 B10R1.18 O=C(Cl)OC1=CC=CC=C1 235668 [0,0,0,0,2,0|2,0,0]=4 333 B10R1.18 O=C(Cl)SC1=CC=CC=C1 015276 [0,0,0,0,2,0|2,0,0]=4 334 B10R1.18 O=C(O)CC1=CC=CN=C1 066081 [0,0,0,0,2,0|1,0,0]=3 335 B10R1.18 O=C(O)CC1=CC=CN=C1 076680 [0,0,0,0,2,0|1,0,0]=3 336 B10R1.18 O=C(O)CC1=CC=NC=C1 001787 [0,0,0,0,2,0|1,0,0]=3 337 B10R1.18 O=C(O)CC1=CN=CN=C1 077681 [0,0,0,0,2,0|2,0,0]=4 338 B10R1.18 O=C(O)CC1=NC=CC=C1 066003 [0,0,0,0,2,0|1,0,0]=3 339 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 180385 [0,0,0,0,2,0|1,0,0]=3 340 B10R1.66 O=C(O)CCC1=CC=CO1 011752 [0,0,0,0,2,0|1,0,0]=3