0 B7R0.10 CCC(C)C(N)CO AC-57968 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.10 COC(=O)C(N)CO AC-16201 [0,0,0,0,0,0|2,1,1]=4 2 B7R0.10 COC(=O)[C@H](N)CO AC-21878 [0,0,0,0,0,0|2,1,1]=4 3 B6R0.1 CCOC(=O)CO AC-76790 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.3 CCC(C)B(O)O AC-75313 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.3 CCC(N)C(=O)O AC-12704 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.3 CCC(N)C(=O)O AC-22541 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.3 CC[C@@H](N)C(=O)O AC-12705 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.3 COC(=O)[C@H](C)O AC-16717 [1,0,0,0,0,0|1,1,1]=4 9 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O AC-74012 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.3 CCOC(=O)C(N)CO AC-86715 [0,1,0,0,0,0|1,1,1]=4 11 B8R0.3 CCOC(=O)[C@@H](N)CO AC-61555 [0,1,0,0,0,0|1,1,1]=4 12 B8R0.3 CCOC(=O)[C@H](N)CO AC-76786 [0,1,0,0,0,0|1,1,1]=4 13 B8R1.5 BrC1CCCCC1Br AC-77428 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.5 CC1CNCCC1O AC-42712 [0,0,0,1,0,0|1,1,0]=3 15 B8R1.5 CC1CNCCC1O AC-87939 [0,0,0,1,0,0|1,1,0]=3 16 B8R1.5 CC1CNCCN1C AC-61977 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.5 CC1COCCC1=O AC-71971 [0,0,0,1,0,0|0,1,1]=3 18 B8R1.5 CC1COCCC1O AC-81397 [0,0,0,1,0,0|0,1,0]=2 19 B8R1.5 CC1CSCCC1=O AC-88127 [0,0,0,1,0,0|0,2,1]=4 20 B8R1.5 NC1CCCCC1O AC-24447 [0,0,0,1,0,0|2,1,0]=4 21 B8R1.5 NC1CCCCC1O AC-89664 [0,0,0,1,0,0|2,1,0]=4 22 B8R1.5 NC1COCCC1O AC-84168 [0,0,0,1,0,0|1,1,0]=3 23 B8R1.5 N[C@@H]1CCCC[C@@H]1O AC-35397 [0,0,0,1,0,0|2,1,0]=4 24 B8R1.5 N[C@@H]1CCCC[C@H]1N AC-75173 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.5 N[C@@H]1CCCC[C@H]1O AC-41457 [0,0,0,1,0,0|2,1,0]=4 26 B8R1.5 N[C@H]1CCCC[C@@H]1N AC-11454 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.5 N[C@H]1CCCC[C@@H]1O AC-68294 [0,0,0,1,0,0|2,1,0]=4 28 B8R1.5 N[C@H]1CCCC[C@@H]1O AC-68295 [0,0,0,1,0,0|2,1,0]=4 29 B8R1.5 N[C@H]1CCCC[C@@H]1O AC-72095 [0,0,0,1,0,0|2,1,0]=4 30 B8R1.5 N[C@H]1CCCC[C@H]1O AC-35398 [0,0,0,1,0,0|2,1,0]=4 31 B8R1.5 O=C1CCOCC1F AC-40744 [0,0,0,1,0,0|1,1,1]=4 32 B8R1.5 OC1CCNCC1F AC-82814 [0,0,0,1,0,0|2,1,0]=4 33 B8R1.5 O[C@H]1CCCC[C@H]1O AC-86707 [0,0,0,1,0,0|2,1,0]=4 34 B8R1.11 C#CC1CCCC1O AC-92406 [0,0,0,1,0,0|1,1,1]=4 35 B8R1.11 CN1CCCC1CN AC-55593 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.11 NN1CCC[C@H]1CO AC-83371 [0,0,0,1,0,0|2,0,0]=3 37 B8R0.19 CC(CO)NC(C)CO AC-79788 [0,0,0,0,0,1|2,0,0]=3 38 B5R0.1 C[C@@H](N)CCO AC-68296 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.2 NCCCCBr AC-81002 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.3 CCC(N)CO AC-76788 [2,0,0,0,0,0|1,0,0]=3 41 B5R0.3 NCC(O)CO AC-15144 [2,0,0,0,0,0|1,1,0]=4 42 B5R0.3 NC[C@@H](O)CO AC-12808 [2,0,0,0,0,0|1,1,0]=4 43 B5R0.3 NC[C@H](O)CO AC-74173 [2,0,0,0,0,0|1,1,0]=4 44 B5R0.3 OC[C@@H](O)CCl AC-11570 [2,0,0,0,0,0|1,1,0]=4 45 B5R0.5 CC(S)C(=O)O AC-65008 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.2 CC(C)C[C@@H](N)CO AC-43834 [1,1,0,0,0,0|1,0,0]=3 47 B7R0.2 CN(C)CC(O)CO AC-28373 [1,1,0,0,0,0|2,0,0]=4 48 B7R0.5 CCC[C@H](N)C(=O)O AC-15512 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.7 COCC(N)COC AC-32105 [1,1,0,0,0,0|2,0,0]=4 50 B7R1.1 CNC1CCOC1 AC-87875 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.1 NCC1CCCC1 AC-27260 [1,0,0,1,0,0|1,0,0]=3 52 B7R1.1 NCC1CCCC1 AC-37884 [1,0,0,1,0,0|1,0,0]=3 53 B7R1.1 NCC1CCNC1 AC-63684 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.1 NNC1CCCC1 AC-27275 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.1 NNC1CCCC1 AC-75898 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.1 OCC1CCCN1 AC-57969 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.1 OCC1CCNC1 AC-42224 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.1 OCC1COCO1 AC-89617 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.1 OCC1OCCO1 AC-93064 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.1 OC[C@@H]1CCCN1 AC-11523 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.1 OC[C@H]1CCCN1 AC-11286 [1,0,0,1,0,0|1,0,0]=3 62 B7R1.1 ON=C1CCCC1 AC-83680 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.2 CN1CCC(O)C1 AC-44686 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.2 CN1CC[C@H](O)C1 AC-45770 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.2 NN1CCC(O)C1 AC-85305 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-79678 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-81200 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.3 BrC1CCCCC1 AC-77401 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.3 BrC1CCNCC1 AC-25463 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.3 CC1CNCCN1 AC-31498 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.3 CC1CNCCO1 AC-39793 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.3 C[C@@H]1CCCCN1 AC-72494 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.3 C[C@H]1CNCCN1 AC-10557 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.3 C[C@H]1CNCCO1 AC-79261 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.3 C[C@H]1COCCN1 AC-39938 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.3 ClC1CCOCC1 AC-93376 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.3 FC1CCCNC1 AC-23654 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.3 FC1CCNCC1 AC-23653 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.3 F[C@@H]1CCCNC1 AC-82716 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.3 F[C@H]1CCCNC1 AC-82770 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.3 NC1CCCNC1 AC-13466 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.3 O=C1CCOCC1 AC-15730 [1,0,0,1,0,0|0,1,1]=4 83 B7R1.3 O=S1CCOCC1 AC-96400 [1,0,0,1,0,0|1,1,0]=4 84 B7R1.3 OC1CCCNC1 AC-13470 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.3 OC1CCCOC1 AC-43113 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.3 OC1CCNCC1 AC-11055 [1,0,0,1,0,0|1,1,0]=4 87 B7R1.3 OC1CCOCC1 AC-40767 [1,0,0,1,0,0|0,1,0]=3 88 B7R1.3 OC1CCSCC1 AC-55374 [1,0,0,1,0,0|0,2,0]=4 89 B7R1.3 O[C@H]1CCCNC1 AC-10547 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.4 CC1OCCC1=O AC-16100 [1,0,0,1,0,0|0,1,1]=4 91 B7R1.4 NC1CCCC1N AC-92921 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.4 NC1CCCC1O AC-74003 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.4 NC1CCCC1O AC-94382 [1,0,0,1,0,0|1,0,0]=3 94 B7R1.4 N[C@@H]1CCC[C@@H]1O AC-60181 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.4 N[C@@H]1CCC[C@H]1O AC-80948 [1,0,0,1,0,0|1,0,0]=3 96 B7R1.4 N[C@H]1CCC[C@@H]1O AC-38019 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.4 N[C@H]1CCC[C@H]1O AC-60111 [1,0,0,1,0,0|1,0,0]=3 98 B7R1.4 N[C@H]1COC[C@@H]1O AC-85740 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.4 O[C@H]1CNC[C@@H]1O AC-63687 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.6 CCOC1CNC1 AC-89124 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.6 CNCC1CNC1 AC-91756 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.6 NCCC1CCC1 AC-87674 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.6 OCCC1CCC1 AC-84374 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.9 N#CC1CC1CO AC-94243 [1,0,0,1,0,0|1,0,1]=4 105 B7R1.10 CCN1CC(O)C1 AC-92379 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.10 O=C1CC(CO)C1 AC-81896 [1,0,0,1,0,0|1,0,1]=4 107 B7R1.10 OCC1CC(Cl)C1 AC-84181 [1,0,0,1,0,0|1,0,0]=3 108 B7R1.25 CC1(CBr)COC1 AC-70504 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.25 CC1(CN)CCC1 AC-81364 [1,0,0,1,0,0|1,0,0]=3 110 B7R1.25 CC1(CO)COC1 AC-20171 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.25 NC1(CO)CCC1 AC-94564 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.25 NCC1(N)CCC1 AC-96587 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.25 NCC1(O)CCC1 AC-81048 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.25 OCC1(F)COC1 AC-70531 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.18 CC(O)C1CCC1 AC-80542 [1,0,0,1,0,0|1,0,0]=3 116 B9R1.2 CN1CCCC(CO)C1 AC-31526 [0,0,0,1,0,1|2,0,0]=4 117 B9R1.2 O=C1CCCC(CO)C1 AC-84030 [0,0,0,1,0,1|0,1,1]=4 118 B9R1.41 NC1CCCC1C(=O)O AC-84484 [0,1,0,1,0,0|1,0,1]=4 119 B9R1.15 CN1CCCCC1CO AC-31527 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.15 CN1CCCC[C@@H]1CO AC-79434 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.15 CN1CCCC[C@H]1CO AC-76858 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.15 CN1CCOCC1CN AC-80962 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.15 CN[C@@H]1CCCC[C@H]1O AC-60107 [0,1,0,1,0,0|1,1,0]=4 124 B9R1.15 CN[C@H]1CCCC[C@@H]1O AC-59513 [0,1,0,1,0,0|1,1,0]=4 125 B9R1.15 COC1CCNCC1C AC-90448 [0,1,0,1,0,0|1,1,0]=4 126 B9R1.15 OCC1CNCCC1O AC-90903 [0,1,0,1,0,0|0,1,0]=3 127 B9R1.22 OC[C@@H]1OC(O)C[C@H]1O AC-13755 [0,1,0,1,0,0|1,1,0]=4 128 B9R1.33 COCC1CCCC1=O AC-76116 [0,1,0,1,0,0|0,1,1]=4 129 B9R1.40 CC1(C)CNCCC1O AC-80377 [0,1,0,1,0,0|1,1,0]=4 130 B9R1.40 CC1(C)COCCC1=O AC-79915 [0,1,0,1,0,0|0,1,1]=4 131 B9R1.40 CC1(C)COCCC1N AC-92848 [0,1,0,1,0,0|1,0,0]=3 132 B9R2.3 C1CC2CNCC2C1 AC-11716 [0,0,0,2,0,0|2,0,0]=4