0 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 066747 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 246440 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 180737 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 375328 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 342262 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 222157 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 093736 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 078970 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 078724 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 018766 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.16 CC(CC=O)C1=CC=CC=C1 520893 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.16 CCC[C@@H](O)C1=CC=CC=C1 355875 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.16 CCC[C@H](O)C1=CC=CC=C1 488025 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.16 CNCC(O)C1=CC=CC=C1 402378 [1,0,0,0,0,0|0,0,0]=1 14 B11R1.16 COCC(=O)C1=CC=CC=C1 321462 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 003400 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 236802 [1,0,0,0,0,0|0,0,2]=3 17 B11R1.36 CC(C)C(C)C1=CC=NC=C1 032640 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.36 CC(C)C(O)C1=CC=CC=C1 242324 [1,0,0,0,0,0|0,0,0]=1 19 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 341736 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 018765 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 068259 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 093723 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 046847 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 093732 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.36 O=C([O-])C(O)C1=CC=CC=C1 103518 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.40 CCC(O)CC1=CC=CC=C1 103563 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.40 CNC(=O)CC1=CC=CC=C1 449006 [1,0,0,0,0,0|1,0,1]=3 28 B11R1.40 CNC(=O)NC1=CC=CC=C1 342108 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.40 CNC(=O)OC1=CC=CC=C1 104150 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.40 CNC(=S)NC1=CC=CC=C1 018860 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 M04116 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 317870 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.40 O=C(CC1=CC=CC=C1)NO 188889 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.40 O[C@H](CCl)CC1=CC=CC=C1 036095 [1,0,0,0,0,0|3,0,0]=4 35 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 013694 [0,1,0,0,0,0|3,0,0]=4 36 B13R2.45 CCC1CC2=C(C=CC=C2)C1=O 222653 [0,0,0,1,0,0|1,0,2]=4 37 B13R2.8137 O=C(C1=CC=CC=C1)C2CCC2 003371 [0,0,0,1,0,0|1,0,2]=4 38 B13R1.11 CCC(C)NC(=O)C1=CC=CC=C1 104586 [0,0,0,0,0,1|1,0,2]=4 39 B10R1.15 CC(CN)C1=CC=CC=C1 008888 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.15 CCC(=O)C1=CC=CC=C1 094675 [2,0,0,0,0,0|0,0,2]=4 41 B10R1.15 CCC(C)C1=CC=CC=C1 094615 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.15 CCC(O)C1=CC=CC=C1 242652 [2,0,0,0,0,0|0,0,0]=2 43 B10R1.15 CCN(C)C1=CC=CC=C1 092421 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 208825 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 103637 [2,0,0,0,0,0|0,0,0]=2 46 B10R1.15 CC[C@H](N)C1=CC=CC=C1 227613 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.15 CNC(=O)C1=CC=CC=C1 341719 [2,0,0,0,0,0|0,0,2]=4 48 B10R1.15 CNC(=S)C1=CC=CC=C1 180197 [2,0,0,0,0,0|0,1,1]=4 49 B10R1.15 CNC(C)C1=CC=CC=C1 371108 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.15 CN[C@H](C)C1=CC=CC=C1 337064 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.15 N#CC(O)C1=CC=CC=C1 403371 [2,0,0,0,0,0|0,0,2]=4 52 B10R1.15 NC(CO)C1=CC=CC=C1 364268 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.15 NCC(=O)C1=CC=CC=C1 040292 [2,0,0,0,0,0|0,0,2]=4 54 B10R1.15 NCC(O)C1=CC=CC=C1 008897 [2,0,0,0,0,0|0,0,0]=2 55 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 318280 [2,0,0,0,0,0|0,0,0]=2 56 B10R1.15 NC[C@H](O)C1=CC=CC=C1 077860 [2,0,0,0,0,0|0,0,0]=2 57 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 040100 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.15 N[C@H](CO)C1=CC=CC=C1 034311 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 103828 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.17 BrCCCC1=CC=CC=C1 113800 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.17 C#CCCC1=CC=CC=C1 062967 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.17 C=CCCC1=CC=CC=C1 342184 [2,0,0,0,0,0|1,0,1]=4 63 B10R1.17 CCCCC1=CC=CC=C1 240933 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.17 CCCC[N+]1=CC=CC=C1 237751 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.17 CCCNC1=CC=CC=C1 324115 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.17 CCCSC1=CC=CC=C1 094618 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.17 CCNCC1=CC=CC=C1 239060 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.17 CCOCC1=CC=CC=C1 240434 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.17 CCSCC1=CC=CC=C1 094637 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.17 CNCCC1=CC=CC=C1 046956 [2,0,0,0,0,0|0,0,0]=2 71 B10R1.17 CNCCC1=NC=CC=C1 065480 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.17 ClCCCC1=CC=CC=C1 320132 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.17 N#CCCC1=CC=CC=C1 337065 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.17 NCCCC1=CC=CC=C1 008890 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.17 O=CCCC1=CC=CC=C1 237467 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.17 OCCCC1=CC=CC=C1 241187 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.18 CC(Br)CC1=CC=CC=C1 243231 [2,0,0,0,0,0|1,0,0]=3 78 B10R1.18 CC(C)CC1=CC=NC=C1 032546 [2,0,0,0,0,0|1,0,0]=3 79 B10R1.18 CC(C)NC1=CC=CC=C1 079480 [2,0,0,0,0,0|1,0,0]=3 80 B10R1.18 CC(C)OC1=CC=CC=C1 038454 [2,0,0,0,0,0|1,0,0]=3 81 B10R1.18 CC(O)CC1=CC=CC=C1 339985 [2,0,0,0,0,0|1,0,0]=3 82 B10R1.18 CN(C)CC1=CC=CC=C1 102405 [2,0,0,0,0,0|1,0,0]=3 83 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 036085 [2,0,0,0,0,0|1,0,0]=3 84 B10R1.18 C[C@H](O)CC1=CC=CC=C1 036086 [2,0,0,0,0,0|1,0,0]=3 85 B10R1.18 NC(=O)CC1=CC=CC=C1 018952 [2,0,0,0,0,0|1,0,1]=4 86 B10R1.18 NC(=S)CC1=CC=CC=C1 047341 [2,0,0,0,0,0|1,0,1]=4 87 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 339744 [1,1,0,0,0,0|0,0,0]=2 88 B12R1.30 CCCCC(O)C1=CC=CC=C1 242321 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.39 C=CCC(C)(O)C1=CC=CC=C1 340068 [1,1,0,0,0,0|1,0,1]=4 90 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 103042 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.478 CN(C)C(C#N)C1=CC=CC=C1 341735 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.564 CC(C)(Br)C(=O)C1=CC=CC=C1 011099 [1,1,0,0,0,0|0,0,2]=4 93 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 078663 [1,1,0,0,0,0|1,0,0]=3 94 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 224641 [1,1,0,0,0,0|0,0,2]=4 95 B12R1.564 OC(C1=CC=CC=C1)C(F)(F)F 002360 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.564 O[C@H](C1=CC=CC=C1)C(F)(F)F 245891 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.32 CN(CCN)CC1=CC=CC=C1 033861 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.32 CN(CCO)CC1=CC=CC=C1 214692 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 095425 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 314877 [1,1,0,0,0,0|1,0,1]=4 101 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 209399 [1,1,0,0,0,0|0,0,0]=2 102 B12R1.118 COC(CC1=CC=CC=C1)OC 103319 [1,1,0,0,0,0|1,0,0]=3 103 B12R1.371 CNC(=O)CC1=C(C)C=CC=C1 102549 [1,1,0,0,0,0|1,0,1]=4 104 B14R1.2984 CCC(C)C(C(=O)O)C1=CC=CC=C1 065831 [0,2,0,0,0,0|1,0,0]=3 105 B14R1.2984 CCC(C)C(C(N)=O)C1=CC=CC=C1 104602 [0,2,0,0,0,0|1,0,1]=4 106 B12R2.2 C1=CC=C(C2CCCN2)C=C1 021298 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.1081 NC1CCCC2=C1C=CC=C2 219818 [1,0,0,1,0,0|2,0,0]=4 108 B12R2.1081 NC1CCCC2=CC=CC=C21 048220 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.1081 NC1COCC2=C1C=CC=C2 091889 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 048221 [1,0,0,1,0,0|2,0,0]=4 111 B12R2.1081 OC1CCCC2=C1N=CC=C2 040155 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.1081 OC1CCCC2=CC=CC=C21 069137 [1,0,0,1,0,0|1,0,0]=3 113 B12R2.1081 OC1CCOC2=CC=CC=C21 104541 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 219879 [1,0,0,1,0,0|1,0,0]=3 115 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 219880 [1,0,0,1,0,0|1,0,0]=3 116 B12R2.18 CN1CC2=CC=CC=C2C1N 102477 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O 012694 [1,0,0,1,0,0|2,0,0]=4 118 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O 012689 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O 012693 [1,0,0,1,0,0|2,0,0]=4 120 B12R2.18 OC1C2=CC=CC=C2CC1Br 003061 [1,0,0,1,0,0|1,0,0]=3 121 B10R1.11 CCCC(O)C1=CC=CS1 102687 [1,0,0,0,1,0|2,0,0]=4 122 B12R1.27 CNC(=O)CCC1=CC=CC=C1 105160 [1,0,0,0,0,1|1,0,1]=4 123 B12R1.27 CNC(=S)NCC1=CC=CC=C1 018213 [1,0,0,0,0,1|1,0,1]=4