0 B12R1.27 CCC(O)\C=C\C1=CC=CC=C1 100526 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.27 COC(=O)CCC1=CC=CC=C1 19761 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 103161 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.27 COC(=O)\C=C\C1=CC=CN=C1 19785 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.27 C\C=C(\C)C#CC1=CC=CC=C1 103071 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 19804 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.28 CCC\C=C\C1=CC=CC=C1 100517 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.28 C\C=C\C=C/C1=CC=CC=C1 100530 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.28 C\C=C\CNC1=CC=CC=C1 100873 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 C=C(C)\C=C/C1=CC=CC=C1 100560 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.91 C=C(C)\C=C\C1=CC=CC=C1 100556 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.91 CC(C)\C=C/C1=CC=CC=C1 100514 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [1,0,0,0,0,0|0,0,2]=3 13 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 12253 [1,0,0,0,0,0|0,0,0]=1 14 B13R1.11 COC(=O)CC(C)C1=CC=CC=C1 12294 [0,1,0,0,0,0|0,0,2]=3 15 B13R1.11 COC(=O)CC(C)C1=CC=CC=C1 12295 [0,1,0,0,0,0|0,0,2]=3 16 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 19830 [0,1,0,0,0,0|0,0,2]=3 17 B13R1.14 CCC(=O)CCC1=CC=C(O)C=C1 102151 [0,1,0,0,0,0|1,0,2]=4 18 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 20344 [0,1,0,0,0,0|0,0,0]=1 19 B13R1.15 COC(=O)\C=C\C1=CC=CC(Cl)=C1 20343 [0,1,0,0,0,0|0,0,0]=1 20 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 12167 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 102491 [0,1,0,0,0,0|1,0,1]=3 22 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 100971 [0,1,0,0,0,0|0,0,0]=1 23 B13R1.42 C\C=C\C(=O)NNC1=CC=CC=C1 12166 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.351 CC(=O)\C(C)=C/NC1=CC=CC=C1 13492 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.351 CN(C)C(=O)NCC1=CC=CC=C1 102217 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.417 COC(=CCC1=CC=CC=C1)OC 100955 [0,1,0,0,0,0|0,0,2]=3 27 B13R2.10 CC1=CC(C2=CC=CC=C2)=NN1 19860 [0,0,0,1,0,0|3,0,0]=4 28 B13R2.10 O=C1CN=C(C2=CC=CC=C2)N1 11307 [0,0,0,1,0,0|3,0,0]=4 29 B13R2.10 O=C1CSC(C2=CC=CC=C2)=N1 10154 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 12227 [0,0,0,1,0,0|2,0,0]=3 31 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 12229 [0,0,0,1,0,0|2,0,0]=3 32 B13R2.32 FC1=C(I)C=CC2=CC=CC=C21 102037 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 21206 [0,0,0,1,0,0|1,0,1]=3 34 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 21213 [0,0,0,1,0,0|1,0,1]=3 35 B13R2.33 O=C1CCC2=CC=CC=C2CC1 21559 [0,0,0,1,0,0|1,0,2]=4 36 B13R2.57 OCC1=CC2=C(C=CC=C2)C=C1 20619 [0,0,0,1,0,0|3,0,0]=4 37 B11R1.40 CC\C(C)=C/C1=CC=CC=C1 100800 [0,0,0,0,1,0|2,0,0]=3 38 B11R1.40 CC\C(I)=C/C1=CC=CC=C1 102669 [0,0,0,0,1,0|2,0,0]=3 39 B11R1.40 COC(=S)NC1=CC=CC=C1 10045 [0,0,0,0,1,0|1,1,0]=3 40 B13R1.718 COC(=O)\C=C\NC1=CC=CC=C1 13317 [0,0,0,0,0,1|0,0,0]=1 41 B10R1.17 C=C\C=C\C1=CC=CC=C1 103200 [2,0,0,0,0,0|0,0,1]=3 42 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [2,0,0,0,0,0|0,0,1]=3 43 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [2,0,0,0,0,0|0,0,0]=2 44 B10R1.17 O=CNNC1=CC=CC=C1 16370 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.8 CCCC\C=C/C1=CC=CC=C1 100548 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.8 CCC\C=C/CC1=CC=CC=C1 100559 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.30 CC\C=C\C(O)C1=CC=CC=C1 100808 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.30 CN\C=C/C(=O)C1=CC=CC=C1 13285 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.32 CCC\C(I)=C/C1=CC=CC=C1 100551 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.252 CC(C)=C\C=C/C1=CC=CC=C1 100549 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.252 CC(C)=C\C=C/C1=NC=CC=C1 100533 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 15265 [1,1,0,0,0,0|0,0,2]=4 53 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 17096 [1,1,0,0,0,0|0,0,0]=2 54 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 15283 [1,1,0,0,0,0|0,0,0]=2 55 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 544 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O 17187 [1,1,0,0,0,0|0,0,2]=4 57 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 15432 [1,1,0,0,0,0|0,0,1]=3 58 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 20898 [1,1,0,0,0,0|0,0,1]=3 59 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 13294 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.125 CC(=O)OCC1=CC=CC=C1C 16781 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.125 CC1=C(C=CC(=O)O)C=NC=C1 17150 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=C1 11093 [1,1,0,0,0,0|0,0,0]=2 63 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 17097 [1,1,0,0,0,0|0,0,0]=2 64 B12R1.891 CC(C)(C)\C=C/C1=CC=CC=C1 100538 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.891 C[Si](C)(C)\C=C\C1=CC=CC=C1 103081 [1,1,0,0,0,0|1,1,0]=4 66 B14R1.743 CN\C(C)=C/C(=O)OC1=CC=CC=C1 13295 [0,1,0,0,0,1|2,0,0]=4 67 B14R1.743 COC(=O)\C=C(\C)NC1=CC=CC=C1 13306 [0,1,0,0,0,1|0,0,0]=2 68 B14R1.756 COC(=O)C(C)CCC1=CC=CC=C1 17193 [0,1,0,0,0,1|0,0,2]=4 69 B14R1.837 COC(=O)NCCC1=CC=CC=C1N 11448 [0,1,0,0,0,1|0,0,2]=4 70 B14R1.29 COCC(=O)N[C@H](C)C1=CC=CC=C1 19208 [0,2,0,0,0,0|1,0,1]=4 71 B14R1.85 COC(=O)C(N)C(=O)C1=CC=CC=C1 100144 [0,2,0,0,0,0|0,0,1]=3 72 B14R1.85 COC(=O)[C@@H](O)[C@H](Cl)C1=CC=CC=C1 20342 [0,2,0,0,0,0|0,0,2]=4 73 B14R1.134 COC(=O)C(C)CC1=CC=C(C)C=C1 17190 [0,2,0,0,0,0|0,0,2]=4 74 B14R1.727 COC(=O)COC1=C(Cl)C=C(Cl)C=C1 20914 [0,2,0,0,0,0|1,0,1]=4 75 B14R1.60 CO\C=C(/F)C(=O)NC1=CC=CC=C1 101485 [0,2,0,0,0,0|2,0,0]=4 76 B14R1.60 CO\C=C(/F)C(=O)SC1=CC=CC=C1 102678 [0,2,0,0,0,0|2,0,0]=4 77 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1N 10687 [0,2,0,0,0,0|0,0,0]=2 78 B14R1.1107 COC(=O)C(C)(C)CC1=CC=CC=C1 17192 [0,2,0,0,0,0|0,0,2]=4 79 B12R1.71 C=C\C=C\C1=CC=C(OC)C=C1 100513 [0,0,1,1,0,0|1,0,0]=3 80 B12R2.1 COC1=CCC2=CC=CC=C21 16665 [1,0,0,1,0,0|0,0,1]=3 81 B12R2.2 C1=CC=C(C2=CON=C2)C=C1 11880 [1,0,0,1,0,0|1,0,1]=4 82 B12R2.24 CC1=CC2=CC=CC=C2C=N1 16471 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.24 C[N+]1=CC2=CC=CC=C2C=C1 15360 [1,0,0,1,0,0|2,0,0]=4 84 B12R2.24 O=C1C=CC2=CC=CC=C2N1 101464 [1,0,0,1,0,0|1,0,0]=3 85 B12R2.24 O=C1CC2=CC=CC=C2CO1 16340 [1,0,0,1,0,0|1,0,1]=4 86 B12R2.2403 CC1(C)C=CC2=CC=CC=C21 16650 [1,0,0,1,0,0|1,0,1]=4 87 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 16604 [1,0,0,1,0,0|0,0,2]=4 88 B12R2.18 CN1C(=O)CC2=CC=CC=C21 18631 [0,0,0,1,1,0|1,0,1]=4 89 B14R2.68 O=C1N=CC(C2=CC=CC=C2)=CN1 11887 [0,0,0,1,0,1|1,0,1]=4 90 B14R2.68 O=C1N=CC(C2=CC=CC=C2)=C[NH2+]1 11889 [0,0,0,1,0,1|1,0,1]=4 91 B14R2.958 COC(=O)C1N=C1C2=CC=CC=C2 100142 [0,0,0,1,0,1|0,0,1]=3 92 B14R2.5672 O=C1C=CC2=CC=CC=C(C=C1)C2 15155 [0,0,0,1,0,1|1,0,1]=4 93 B14R2.134 COC1=CC=C2C=NC(C)=CC2=C1 16474 [0,1,0,1,0,0|2,0,0]=4 94 B14R2.203 NCC1=C(O)C=CC2=CC=CC=C21 15403 [0,1,0,1,0,0|1,0,1]=4 95 B14R2.741 CC1=CC2=CC=CC=C2C=CC1=O 15111 [0,1,0,1,0,0|1,0,0]=3 96 B14R2.1128 COC1=C(O)C=C2C=NC=CC2=C1 15459 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.8188 CN1C(=O)C(F)=CC2=CC=CC=C21 101467 [0,1,0,1,0,0|1,0,0]=3 98 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 18204 [0,1,0,1,0,0|2,0,0]=4 99 B14R2.92 COC1=C(C)C2=CC=CC=C2C=C1 10742 [0,1,0,1,0,0|1,0,0]=3 100 B14R2.1801 COC1=CC=C2C(=O)C=CCC2=C1 18216 [0,1,0,1,0,0|1,0,1]=4 101 B10R1.18 BrC(Br)=CC1=CC=CC=C1 12060 [1,0,0,0,1,0|2,0,0]=4 102 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [1,0,0,0,1,0|0,0,1]=3 103 B10R1.18 CC(=O)NC1=CC=CC=C1 20132 [1,0,0,0,1,0|1,0,0]=3 104 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [1,0,0,0,1,0|0,0,1]=3 105 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [1,0,0,0,1,0|0,0,1]=3 106 B10R1.66 NC(=O)\C=C\C1=CC=CO1 16902 [1,0,0,0,1,0|2,0,0]=4 107 B10R1.66 O=C(O)C=CC1=CC=CO1 13414 [1,0,0,0,1,0|1,0,0]=3 108 B10R1.15 C#CC(=O)C1=CC=CC=C1 20316 [0,0,0,0,2,0|1,0,1]=4 109 B10R1.15 CNC(=O)C1=CC=CC=C1 20760 [0,0,0,0,2,0|1,0,0]=3 110 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [0,0,0,0,2,0|2,0,0]=4 111 B10R1.15 O=C(CBr)C1=CC=CC=C1 18427 [0,0,0,0,2,0|2,0,0]=4