0 B11R1.28 BrCCCCC1=CC=CC=C1 AMY28672 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.28 BrCCCOC1=CC=CC=C1 AM20060682 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.28 BrCCOCC1=CC=CC=C1 AM86611 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.28 C=CCNCC1=CC=CC=C1 AM20040479 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.28 C=CCOCC1=CC=CC=C1 AMY5442 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.28 ClCCOCC1=CC=CC=C1 AMY10010 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.28 ICCOCC1=CC=CC=C1 AMY37651 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.28 N#CCCCC1=CC=CC=C1 AMY3893 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.28 N#CCCOC1=CC=CC=C1 AML0036 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.28 NCCCOC1=CC=CC=C1 AMY4758 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.28 NCCNCC1=CC=CC=C1 AM807114 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.28 NCCOCC1=CC=CC=C1 AM20060431 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.28 NCCOCC1=CC=CC=C1 AMY9281 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.28 O=C=NCCC1=CC=CC=C1 AMY37072 [0,0,0,0,0,0|0,1,0]=1 14 B11R1.28 O=CCOCC1=CC=CC=C1 AMY5209 [0,0,0,0,0,0|2,1,1]=4 15 B11R1.28 OCCCCC1=CC=CC=C1 AM20040203 [0,0,0,0,0,0|1,1,1]=3 16 B11R1.28 OCCCCC1=CN=CC=C1 AMY9009 [0,0,0,0,0,0|2,1,1]=4 17 B11R1.28 OCCCCC1=NC=CC=C1 AMY2408 [0,0,0,0,0,0|2,1,1]=4 18 B11R1.28 OCCCOC1=CC=CC=C1 AM20040871 [0,0,0,0,0,0|2,1,1]=4 19 B11R1.28 OCCNCC1=CC=CC=C1 AM86241 [0,0,0,0,0,0|2,1,1]=4 20 B11R1.28 OCCOCC1=CC=CC=C1 AM20040881 [0,0,0,0,0,0|2,1,1]=4 21 B10R1.17 BrCCOC1=CC=CC=C1 AM61603 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.17 C#CCCC1=CC=CC=C1 AMY20777 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.17 C=COCC1=CC=CC=C1 AMY15542 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.17 CCOCC1=CC=CC=C1 AMY22000 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.17 CNCCC1=NC=CC=C1 AMY40800 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.17 ClCCOC1=CC=CC=C1 AMY9421 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.17 ClCOCC1=CC=CC=C1 AM100720 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.17 N#CCCC1=CC=CC=C1 AMY4073 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.17 N#CCCC1=CN=CC=C1 AM86954 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.17 N#CCSC1=CC=CC=C1 AMY25703 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.17 NCCCC1=CC=NC=C1 AMY4296 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.17 NCCOC1=CC=CC=C1 AM20060530 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.17 O=C=NCC1=CC=CC=C1 AM85723 [1,0,0,0,0,0|0,1,0]=2 34 B10R1.17 OCCCC1=CC=NC=C1 AM81311 [1,0,0,0,0,0|1,1,1]=4 35 B10R1.17 OCCCC1=NC=CC=C1 AMY3551 [1,0,0,0,0,0|1,1,1]=4 36 B10R1.17 OCCOC1=CC=CC=C1 AMY9420 [1,0,0,0,0,0|1,1,1]=4 37 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 AMY19781 [1,0,0,0,0,0|2,0,0]=3 38 B12R1.1 CCCCCC1=CC=C(Br)C=C1 AMY8640 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.1 CNCCCC1=CC=C(Br)C=C1 AM87374 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.1 FC1=CC=C(CCCCCl)C=C1 AM83059 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.1 NCCCCC1=CC=C(O)C=C1 AMY14336 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.8 BrCCCOCC1=CC=CC=C1 AM20060664 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.8 CNCCCOC1=CC=CC=C1 AM807189 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.8 O=CCCOCC1=CC=CC=C1 AMY3580 [0,1,0,0,0,0|1,1,1]=4 45 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 AM20040164 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.28 CCCCCC1=CC=CC(O)=C1 AMY27384 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.30 OCCC[C@H](O)C1=CC=CC=C1 AM10014 [0,1,0,0,0,0|1,1,1]=4 48 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 AM20030216 [0,1,0,0,0,0|1,1,1]=4 49 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AM84635 [0,1,0,0,0,0|1,1,1]=4 50 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 AMY13389 [0,1,0,0,0,0|1,1,1]=4 51 B12R2.1 N#C[C@H]1CCC2=C1C=CC=C2 AMY39230 [0,0,0,1,0,0|2,0,1]=4 52 B12R2.1 NC[C@H]1CCC2=C1C=CC=C2 AM20040696 [0,0,0,1,0,0|2,0,1]=4 53 B12R2.1 O=CN1CCC2=C1C=CC=C2 AMY25846 [0,0,0,1,0,0|0,1,2]=4 54 B12R2.1 O\N=C1/CCC2=C1C=CC=C2 AM806409 [0,0,0,1,0,0|2,1,0]=4 55 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 AM20050516 [0,0,0,1,0,0|2,0,1]=4 56 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 AM9376 [0,0,0,1,0,0|2,0,1]=4 57 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 AM9385 [0,0,0,1,0,0|2,0,1]=4 58 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 AM20030084 [0,0,0,1,0,0|1,1,1]=4 59 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 AMY34424 [0,0,0,1,0,0|1,0,2]=4 60 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 AMY4366 [0,0,0,1,0,0|1,0,2]=4 61 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 AM20080739 [0,0,0,1,0,0|1,0,2]=4 62 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 AMY14405 [0,0,0,1,0,0|1,0,2]=4 63 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 AMY40580 [0,0,0,1,0,0|1,0,2]=4 64 B12R2.2 C1=CC=C([C@H]2CCOC2)C=C1 AM20030124 [0,0,0,1,0,0|2,0,1]=4 65 B12R2.41 C1=CC2=C(C=C1)CCNCC2 AMY22742 [0,0,0,1,0,0|1,0,2]=4 66 B12R2.41 C1=CC2=C(C=C1)CCNCC2 AMY27290 [0,0,0,1,0,0|1,0,2]=4 67 B12R2.41 C1=CC2=C(C=C1)CNCCC2 AMY21062 [0,0,0,1,0,0|3,0,0]=4 68 B12R2.41 C1=CC2=C(C=C1)CNCCC2 AMY22927 [0,0,0,1,0,0|3,0,0]=4 69 B12R2.41 C1=CC2=C(C=C1)NCCCC2 AM20050541 [0,0,0,1,0,0|2,0,1]=4 70 B12R2.1081 Br[C@H]1CCCC2=C1C=CC=C2 AMY6140 [0,0,0,1,0,0|2,0,1]=4 71 B12R2.1081 CC1=CCCC2=C1C=CC=C2 AMY6165 [0,0,0,1,0,0|2,0,1]=4 72 B12R2.1081 CC1=NCCC2=C1C=CC=C2 AMY3713 [0,0,0,1,0,0|1,0,1]=3 73 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 AM803958 [0,0,0,1,0,0|1,0,2]=4 74 B12R2.1081 I[C@H]1CCCC2=C1C=CC=C2 AMY6142 [0,0,0,1,0,0|2,0,1]=4 75 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 AM20060563 [0,0,0,1,0,0|2,0,1]=4 76 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 AM20060829 [0,0,0,1,0,0|2,0,1]=4 77 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 AM62763 [0,0,0,1,0,0|2,0,1]=4 78 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 AM62765 [0,0,0,1,0,0|2,0,1]=4 79 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 AM62766 [0,0,0,1,0,0|2,0,1]=4 80 B12R2.1081 O=C1NCCC2=C1C=CC=C2 AM20020275 [0,0,0,1,0,0|0,1,2]=4 81 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 AMY5940 [0,0,0,1,0,0|1,1,1]=4 82 B9R1.8 BrCCC1=CC=CC=C1 AMY10404 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.8 BrCCC1=NC=CC=C1 AM20061469 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.8 BrCCC1=NC=CC=C1 AM807304 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.8 CCCC1=CC=NC=C1 AMY5939 [2,0,0,0,0,0|1,0,1]=4 86 B9R1.8 C\N=C\C1=CC=CC=C1 AMY11008 [2,0,0,0,0,0|0,0,2]=4 87 B9R1.8 ClCCC1=NC=CC=C1 AMY33287 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.8 NCCC1=CC=CC=C1 AMY39444 [2,0,0,0,0,0|0,0,1]=3 89 B9R1.8 NCCC1=CC=CN=C1 AM836 [2,0,0,0,0,0|1,0,1]=4 90 B9R1.8 NCCC1=CC=NC=C1 AMY32187 [2,0,0,0,0,0|1,0,1]=4 91 B9R1.8 NCCC1=NC=CC=C1 AM20070004 [2,0,0,0,0,0|1,0,1]=4 92 B9R1.8 NNCC1=CC=CC=C1 AM20060322 [2,0,0,0,0,0|1,0,1]=4 93 B9R1.8 NNCC1=CC=CC=C1 AM9982 [2,0,0,0,0,0|1,0,1]=4 94 B9R1.8 NNCC1=CC=CC=C1 AM9983 [2,0,0,0,0,0|1,0,1]=4 95 B9R1.8 NOCC1=CC=CC=C1 AM20060583 [2,0,0,0,0,0|1,0,1]=4 96 B9R1.8 NOCC1=CC=CC=C1 AMY24029 [2,0,0,0,0,0|1,0,1]=4 97 B9R1.8 O=C=NC1=CN=CC=C1 AMY756 [2,0,0,0,0,0|1,1,0]=4 98 B9R1.8 O=C=NC1=NC=CC=C1 AMY16299 [2,0,0,0,0,0|1,1,0]=4 99 B9R1.8 O=S=NC1=CC=CC=C1 AMY31360 [2,0,0,0,0,0|1,1,0]=4 100 B9R1.8 OCCC1=CC=NC=C1 AM81310 [2,0,0,0,0,0|1,1,0]=4 101 B9R1.8 OCCC1=CN=CC=C1 AM81317 [2,0,0,0,0,0|1,1,0]=4 102 B9R1.8 OCCC1=NC=CC=C1 AM81304 [2,0,0,0,0,0|1,1,0]=4 103 B9R1.8 ONCC1=CC=CC=C1 AM20120645 [2,0,0,0,0,0|0,1,1]=4 104 B9R1.8 S=C=NC1=CC=CC=C1 AM90356 [2,0,0,0,0,0|0,0,0]=2 105 B9R1.8 S=C=NC1=CN=CC=C1 AMY202100040 [2,0,0,0,0,0|1,0,0]=3 106 B11R1.1 BrCCCC1=CC=C(Br)C=C1 AM87403 [1,1,0,0,0,0|1,0,1]=4 107 B11R1.1 CCCCC1=CC=C(Br)C=C1 AMY13506 [1,1,0,0,0,0|1,0,1]=4 108 B11R1.1 CNCCC1=CC=C(O)C=C1 AMY12558 [1,1,0,0,0,0|0,0,2]=4 109 B11R1.1 CNCCC1=CC=C(O)C=C1 AMY39489 [1,1,0,0,0,0|0,0,2]=4 110 B11R1.1 COCCC1=CC=C(Cl)C=C1 AMY23161 [1,1,0,0,0,0|1,0,1]=4 111 B11R1.1 COCCC1=CC=C(O)C=C1 AMY8862 [1,1,0,0,0,0|1,0,1]=4 112 B11R1.1 ClCCCC1=CC=C(Br)C=C1 AMY28471 [1,1,0,0,0,0|1,0,1]=4 113 B11R1.1 O=CCCC1=CC=C(F)C=C1 AM84220 [1,1,0,0,0,0|0,1,1]=4 114 B11R1.1 OCCCC1=CC=C(Br)C=C1 AM20050402 [1,1,0,0,0,0|0,1,1]=4 115 B11R1.1 OCCCC1=CC=C(Cl)C=C1 AM804154 [1,1,0,0,0,0|0,1,1]=4 116 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 AMY12567 [1,1,0,0,0,0|0,1,1]=4 117 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 AMY22665 [1,1,0,0,0,0|0,1,1]=4 118 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 AMY40206 [1,1,0,0,0,0|0,0,1]=3 119 B11R1.17 CNCCC1=C(Br)C=CC=C1 AM87425 [1,1,0,0,0,0|0,0,2]=4 120 B11R1.17 NNCCC1=C(Cl)C=CC=C1 AMY38268 [1,1,0,0,0,0|1,0,1]=4 121 B11R1.17 O=CCCC1=C(F)C=CC=C1 AM84219 [1,1,0,0,0,0|0,1,1]=4 122 B11R1.24 CC1=CC=CC(CN=C=O)=C1 AMY32714 [1,1,0,0,0,0|0,1,0]=3 123 B11R1.24 CNCCC1=CC=CC(F)=C1 AMY20604 [1,1,0,0,0,0|0,0,2]=4 124 B11R1.24 FC1=CC=CC(CCCBr)=C1 AM803269 [1,1,0,0,0,0|1,0,1]=4 125 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 AM20040652 [1,1,0,0,0,0|1,0,1]=4 126 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 AMY11256 [1,1,0,0,0,0|0,1,1]=4 127 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 AMY32617 [1,1,0,0,0,0|1,0,1]=4 128 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AM20040161 [1,1,0,0,0,0|0,1,1]=4 129 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AM82191 [1,1,0,0,0,0|0,1,1]=4 130 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AM85416 [1,1,0,0,0,0|0,1,1]=4 131 B11R1.91 CN(C)CCC1=CC=CC=C1 AMY25101 [1,1,0,0,0,0|0,0,2]=4 132 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 AMY40882 [1,1,0,0,0,0|1,0,1]=4 133 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 AMY25612 [1,1,0,0,0,0|0,1,1]=4 134 B11R1.91 O=C(O)CCC1=CC=CC=C1 AMY39410 [1,1,0,0,0,0|0,1,1]=4 135 B11R1.91 OB(O)CCC1=CC=CC=C1 AMY13278 [1,1,0,0,0,0|1,1,0]=4 136 B11R2.1 Cl[C@H]1CCC2=C1C=CC=C2 AMY39231 [1,0,0,1,0,0|1,0,1]=4 137 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AM84311 [1,0,0,1,0,0|1,0,1]=4 138 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 AM20040231 [1,0,0,1,0,0|1,0,1]=4 139 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 AM20060691 [1,0,0,1,0,0|1,0,1]=4 140 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 AM62791 [1,0,0,1,0,0|1,0,1]=4 141 B11R2.1 O=C1CCC2=C1C=CC=C2 AMY3674 [1,0,0,1,0,0|0,1,1]=4 142 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 AM804173 [1,0,0,1,0,0|0,1,1]=4 143 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 AMY35191 [1,0,0,1,0,0|1,0,1]=4 144 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 AMY35782 [1,0,0,1,0,0|1,0,1]=4 145 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 AM84681 [1,0,0,1,0,0|1,0,1]=4 146 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 AMY35672 [1,0,0,1,0,0|1,0,1]=4 147 B11R2.20 C1=CC2=C(C=C1)CCC=C2 AMY5941 [1,0,0,1,0,0|1,0,1]=4 148 B11R2.20 C1=CC2=C(C=C1)CNCC2 AMY3832 [1,0,0,1,0,0|0,0,2]=4 149 B11R2.20 C1=CC2=C(C=C1)COCC2 AM85788 [1,0,0,1,0,0|1,0,1]=4 150 B11R2.20 C1=CC2=C(C=C1)NCCC2 AMY856 [1,0,0,1,0,0|1,0,1]=4 151 B11R2.238 C1=CC=C(CC2=NC2)C=C1 AMY13627 [1,0,0,1,0,0|0,0,2]=4 152 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 AM20041087 [1,0,0,1,0,0|0,0,2]=4 153 B11R2.239 C1=CC=C(C2COC2)C=C1 AM85454 [1,0,0,1,0,0|1,0,1]=4 154 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 AM20030390 [1,0,0,1,0,0|1,0,1]=4 155 B11R2.988 N#C[C@H]1CC2=C1C=CC=C2 AM20041002 [1,0,0,1,0,0|1,0,1]=4 156 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 AM20030025 [1,0,0,1,0,0|0,1,1]=4 157 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 AMY14572 [0,1,0,1,0,0|1,0,1]=4 158 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 AMY36758 [0,1,0,1,0,0|1,0,1]=4 159 B13R2.371 CC1=NC[C@H](C)C2=C1C=CC=C2 AM20040798 [0,1,0,1,0,0|1,0,1]=4