0 B11R1.40 CC\C(C)=C/C1=CC=CC=C1 100800 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 CC\C(I)=C/C1=CC=CC=C1 102669 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.40 COC(=S)NC1=CC=CC=C1 10045 [0,0,0,0,0,0|1,1,0]=2 3 B11R1.40 FCC(F)CC1=CC=CC=C1 102361 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.17 C=C\C=C\C1=CC=CC=C1 103200 [1,0,0,0,0,0|1,0,2]=4 5 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [1,0,0,0,0,0|0,0,1]=2 7 B10R1.17 N#C[Se]CC1=CC=CC=C1 20016 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.18 BrC(Br)=CC1=CC=CC=C1 12060 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [1,0,0,0,0,0|0,0,0]=1 10 B10R1.18 CC(=O)NC1=CC=CC=C1 20132 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [1,0,0,0,0,0|0,0,0]=1 13 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [1,0,0,0,0,0|0,0,0]=1 14 B12R1.32 CCC\C(I)=C/C1=CC=CC=C1 100551 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 544 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 102208 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 15432 [0,1,0,0,0,0|2,0,0]=3 18 B12R1.49 CSC(S)=NC1=CC=C(Br)C=C1 21460 [0,1,0,0,0,0|1,2,0]=4 19 B12R1.49 CSC(S)=NC1=CC=C(C)C=C1 21456 [0,1,0,0,0,0|1,2,0]=4 20 B12R1.49 CSC(S)=NC1=CC=C(Cl)C=C1 21455 [0,1,0,0,0,0|1,2,0]=4 21 B12R1.49 CSC(S)=NC1=CC=C(N)C=C1 21457 [0,1,0,0,0,0|1,2,0]=4 22 B12R1.371 CSC(S)=NC1=C(C)C=CC=C1 21463 [0,1,0,0,0,0|1,2,0]=4 23 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 18545 [0,0,0,1,0,0|2,0,1]=4 24 B12R2.18 CC1=C(C)C2=CC=CC=C2C1 16651 [0,0,0,1,0,0|2,0,0]=3 25 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 16046 [0,0,0,1,0,0|3,0,0]=4 26 B12R2.18 CN1C(=O)CC2=CC=CC=C21 18631 [0,0,0,1,0,0|1,0,0]=2 27 B12R2.18 O=C1NC2=CC=CC=C2C1=O 20896 [0,0,0,1,0,0|3,0,0]=4 28 B12R2.24 CN1CCC2=CC=CC=C2C1 101931 [0,0,0,1,0,0|3,0,0]=4 29 B12R2.24 O=C1C=CC2=CC=CC=C2N1 101464 [0,0,0,1,0,0|2,0,1]=4 30 B12R2.24 O=C1CC2=CC=CC=C2CO1 16340 [0,0,0,1,0,0|0,0,0]=1 31 B12R2.24 O=C1CSC2=CC=CC=C2N1 102677 [0,0,0,1,0,0|3,0,0]=4 32 B12R2.32 N#CC1=CC2=CC=CC=C2C1 16646 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.15 C#CC(=O)C1=CC=CC=C1 20316 [0,0,0,0,1,0|1,0,1]=3 34 B10R1.15 CNC(=O)C1=CC=CC=C1 20760 [0,0,0,0,1,0|1,0,0]=2 35 B10R1.15 C\C(=C/Cl)C1=CC=CC=C1 103092 [0,0,0,0,1,0|3,0,0]=4 36 B10R1.15 C\C(=N/O)C1=CC=CC=C1 16747 [0,0,0,0,1,0|3,0,0]=4 37 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [0,0,0,0,1,0|2,0,0]=3 38 B10R1.15 N\C(=N\O)C1=CC=CC=C1 12254 [0,0,0,0,1,0|3,0,0]=4 39 B10R1.15 O=C(CBr)C1=CC=CC=C1 18427 [0,0,0,0,1,0|2,0,0]=3 40 B10R1.15 O\N=C(\O)C1=CC=CC=C1 12250 [0,0,0,0,1,0|2,0,1]=4 41 B12R1.27 COC(=O)CCC1=CC=CC=C1 19761 [0,0,0,0,0,1|0,0,0]=1 42 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 103161 [0,0,0,0,0,1|0,0,1]=2 43 B12R1.27 COC(=O)\C=C\C1=CC=CN=C1 19785 [0,0,0,0,0,1|1,0,1]=3 44 B12R1.27 C\C=C(\C)C#CC1=CC=CC=C1 103071 [0,0,0,0,0,1|2,0,1]=4 45 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 19804 [0,0,0,0,0,1|2,0,0]=3 46 B9R1.8 Br\C=C/C1=CC=CC=C1 102665 [2,0,0,0,0,0|1,0,1]=4 47 B9R1.8 COCC1=CC=CC=C1 102522 [2,0,0,0,0,0|0,0,0]=2 48 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [2,0,0,0,0,0|0,0,1]=3 49 B9R1.8 F\C=C\C1=CC=CC=C1 102664 [2,0,0,0,0,0|1,0,1]=4 50 B9R1.8 I\C=C\C1=CC=CC=C1 103084 [2,0,0,0,0,0|1,0,1]=4 51 B9R1.8 NCCC1=CC=CC=C1 11614 [2,0,0,0,0,0|1,0,1]=4 52 B9R1.8 NCCC1=CC=CC=C1 12328 [2,0,0,0,0,0|1,0,1]=4 53 B9R1.8 [NH3+]CCC1=CC=CC=C1 12322 [2,0,0,0,0,0|1,0,1]=4 54 B11R1.1 CCCCC1=CC=C(O)C=C1 17214 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.1 COCOC1=CC=C(Cl)C=C1 102904 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.1 COCOC1=CC=C(F)C=C1 100828 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.17 COCOC1=C(F)C=CC=C1 100829 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.17 COCOC1=CC=CC=C1Cl 102905 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.24 COCOC1=CC(Cl)=CC=C1 102909 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.24 COCOC1=CC(F)=CC=C1 102899 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.28 CCC\C=C\C1=CC=CC=C1 100517 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.28 C\C=C\C=C/C1=CC=CC=C1 100530 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.28 C\C=C\CNC1=CC=CC=C1 100873 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.91 C=C(C)\C=C/C1=CC=CC=C1 100560 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.91 C=C(C)\C=C\C1=CC=CC=C1 100556 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.91 CC(C)\C=C/C1=CC=CC=C1 100514 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 15704 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.20 CC(C)CC1=CC=C(O)C=C1 17197 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.20 N(C(C)=O)C1=NC=C(Cl)C=C1 20662 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 532 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 102171 [1,1,0,0,0,0|0,0,0]=2 72 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 20773 [1,1,0,0,0,0|0,0,0]=2 73 B11R1.36 CC(C)C(C)C1=CC=CC=C1 15777 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 19771 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 102534 [1,1,0,0,0,0|0,0,0]=2 76 B11R1.36 [NH3+]C(C(=O)O)C1=CC=CC=C1 102467 [1,1,0,0,0,0|0,0,0]=2 77 B11R1.86 CC(=O)NC1=CC=CC=C1Br 17116 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.86 CC(=O)NC1=CC=CC=C1Cl 17122 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 102170 [1,1,0,0,0,0|0,0,0]=2 80 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20759 [1,1,0,0,0,0|0,0,0]=2 81 B11R1.86 O=C(O)CC1=CC=CC=C1Cl 102178 [1,1,0,0,0,0|0,0,0]=2 82 B11R1.86 O=C(O)CC1=CC=CC=C1O 19282 [1,1,0,0,0,0|0,0,0]=2 83 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 17121 [1,1,0,0,0,0|1,0,0]=3 84 B11R1.157 N(C(C)=O)C1=NC(C)=CC=C1 20549 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 102173 [1,1,0,0,0,0|0,0,0]=2 86 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 102158 [1,1,0,0,0,0|0,0,0]=2 87 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 102175 [1,1,0,0,0,0|0,0,0]=2 88 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 20763 [1,1,0,0,0,0|1,0,1]=4 89 B11R1.222 COC(=O)C1=NC=CC=C1F 100739 [0,1,0,0,1,0|1,0,0]=3 90 B13R1.11 COC(=O)CC(C)C1=CC=CC=C1 12294 [0,1,0,0,0,1|0,0,0]=2 91 B13R1.11 COC(=O)CC(C)C1=CC=CC=C1 12295 [0,1,0,0,0,1|0,0,0]=2 92 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 19830 [0,1,0,0,0,1|0,0,0]=2 93 B13R1.11 C\C=C(/F)CN(C)C1=CC=CC=C1 100840 [0,1,0,0,0,1|2,0,0]=4 94 B13R1.14 CCC(=O)CCC1=CC=C(O)C=C1 102151 [0,1,0,0,0,1|1,0,0]=3 95 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 20344 [0,1,0,0,0,1|0,0,1]=3 96 B13R1.15 COC(=O)\C=C\C1=CC=CC(Cl)=C1 20343 [0,1,0,0,0,1|0,0,1]=3 97 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 12167 [0,1,0,0,0,1|2,0,0]=4 98 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 102491 [0,1,0,0,0,1|0,0,0]=2 99 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 100971 [0,1,0,0,0,1|0,0,1]=3 100 B13R1.42 C\C=C\C(=O)NNC1=CC=CC=C1 12166 [0,1,0,0,0,1|2,0,0]=4 101 B13R1.42 O=C(\C=C\O)CCC1=CC=CC=C1 12207 [0,1,0,0,0,1|1,0,1]=4 102 B13R1.42 O=C(\C=C\[O-])CCC1=CC=CC=C1 12208 [0,1,0,0,0,1|1,0,1]=4 103 B13R1.351 CN(C)C(=O)NCC1=CC=CC=C1 102217 [0,1,0,0,0,1|1,0,0]=3 104 B13R1.417 COC(=CCC1=CC=CC=C1)OC 100955 [0,1,0,0,0,1|0,0,1]=3 105 B13R1.47 CCOC(=O)C(=O)C1=CC=CN=C1 101982 [0,2,0,0,0,0|1,0,1]=4 106 B13R1.47 CC\C=C(/C)C(O)C1=CC=CC=C1 100562 [0,2,0,0,0,0|2,0,0]=4 107 B13R1.47 C\C(=C/CO)C(O)C1=CC=CC=C1 101097 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.47 C\C(=C\CO)C(O)C1=CC=CC=C1 101114 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.79 CCO\C(C=O)=C/C1=CC=CC=C1 100958 [0,2,0,0,0,0|0,0,1]=3 110 B13R1.348 CC(=O)\C=C(/C)CC1=CC=CC=C1 16782 [0,2,0,0,0,0|2,0,0]=4 111 B13R1.708 COC(=O)C(C)(C)C1=CC=CC=C1 17191 [0,2,0,0,0,0|0,0,0]=2 112 B13R1.133 CC(=O)C(=O)NC1=CC=C(Br)C=C1 545 [0,2,0,0,0,0|2,0,0]=4 113 B13R1.133 CC(=O)C(=O)NC1=CC=C(C)C=C1 1364 [0,2,0,0,0,0|2,0,0]=4 114 B13R1.133 CC(=O)C(=O)NC1=CC=C(Cl)C=C1 1362 [0,2,0,0,0,0|2,0,0]=4 115 B13R1.133 CC(=O)C(=O)NC1=CC=C(I)C=C1 1363 [0,2,0,0,0,0|2,0,0]=4 116 B13R1.148 CN(C)C(=O)NC1=CC=CC(F)=C1 102792 [0,2,0,0,0,0|2,0,0]=4 117 B13R1.353 CC(C)(O)C(=O)CC1=CC=CC=C1 100957 [0,2,0,0,0,0|1,0,0]=3 118 B13R1.353 O=C(CC1=CC=CC=C1)C(F)(F)F 101979 [0,2,0,0,0,0|2,0,0]=4 119 B13R1.418 CC(=O)C(=CN)CC1=CC=CC=C1 12202 [0,2,0,0,0,0|2,0,0]=4 120 B13R1.418 CC(=O)\C(=C/[O-])CC1=CC=CC=C1 12198 [0,2,0,0,0,0|1,0,1]=4 121 B13R1.418 CC(=O)\C(=C/[O-])CC1=CC=CC=C1 12199 [0,2,0,0,0,0|1,0,1]=4 122 B11R2.1 CC1=CCC2=CC=CC=C12 16664 [1,0,0,1,0,0|1,0,0]=3 123 B11R2.1 CC1C=CC2=CC=CC=C21 16652 [1,0,0,1,0,0|1,0,1]=4 124 B11R2.988 ON=C1CC2=CC=CC=C21 16706 [1,0,0,1,0,0|2,0,0]=4 125 B11R2.10 CC1=NC2=CC=CC=C2N1 11720 [1,0,0,1,0,0|2,0,0]=4 126 B11R2.10 S=C1NC2=CC=CC=C2O1 18932 [1,0,0,1,0,0|1,1,0]=4 127 B11R2.10 SC1=NC2=CC=CC=C2O1 10015 [1,0,0,1,0,0|1,1,0]=4 128 B11R2.59 CC1(C)CC2=CC=CC=C21 16581 [1,0,0,1,0,0|1,0,1]=4 129 B11R2.59 CC1(O)CC2=CC=CC=C21 16426 [1,0,0,1,0,0|0,0,2]=4 130 B11R2.59 [2H]C1(O)CC2=CC=CC=C21 16155 [1,0,0,1,0,0|1,0,1]=4 131 B11R2.54 O=C1C(=O)C2=CC=CC=C12 16264 [0,0,0,1,1,0|2,0,0]=4 132 B11R2.54 O=C1C2=CC=CC=C2C1Cl 16693 [0,0,0,1,1,0|2,0,0]=4 133 B13R2.33 O=C1CCC2=CC=CC=C2CC1 21559 [0,0,0,1,0,1|1,0,0]=3 134 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 14932 [0,1,0,1,0,0|1,0,1]=4 135 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 16347 [0,1,0,1,0,0|0,0,1]=3 136 B13R2.328 O=C1CC2=CC=CC=C2C(=S)N1 15841 [0,1,0,1,0,0|1,0,1]=4 137 B13R2.45 CC1=C(C#N)CC2=CC=CC=C21 16644 [0,1,0,1,0,0|2,0,0]=4 138 B13R2.369 CC1=NC2=CC=CC=C2NC1=O 20935 [0,1,0,1,0,0|2,0,0]=4 139 B13R2.435 CC(=O)C1=CC2=CC=CC=C2C1 12203 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.6 O=C(O)C1=CC=CC=C1 15736 [1,0,0,0,1,0|0,0,0]=2 141 B9R1.6 O=C(O)C1=CC=CN=C1 20778 [1,0,0,0,1,0|1,0,0]=3 142 B13R1.718 COC(=O)\C=C\NC1=CC=CC=C1 13317 [0,0,0,0,0,2|0,0,1]=3