0 B7R1.2 CN1CCC(N)C1 AC-41458 [1,0,0,0,0,0|3,0,0]=4 1 B7R1.2 CN1CCC(O)C1 AC-44686 [1,0,0,0,0,0|2,1,0]=4 2 B7R1.2 CN1CC[C@H](O)C1 AC-45770 [1,0,0,0,0,0|2,1,0]=4 3 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-79678 [1,0,0,0,0,0|2,1,0]=4 4 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-81200 [1,0,0,0,0,0|2,1,0]=4 5 B7R1.4 CC1OCCC1=O AC-16100 [1,0,0,0,0,0|0,1,1]=3 6 B7R1.4 NC1CCCC1N AC-92921 [1,0,0,0,0,0|3,0,0]=4 7 B7R1.4 NC1CCCC1O AC-74003 [1,0,0,0,0,0|2,1,0]=4 8 B7R1.4 NC1CCCC1O AC-94382 [1,0,0,0,0,0|2,1,0]=4 9 B7R1.4 N[C@@H]1CCC[C@@H]1O AC-60181 [1,0,0,0,0,0|2,1,0]=4 10 B7R1.4 N[C@@H]1CCC[C@H]1O AC-80948 [1,0,0,0,0,0|2,1,0]=4 11 B7R1.4 N[C@H]1CCC[C@@H]1O AC-38019 [1,0,0,0,0,0|2,1,0]=4 12 B7R1.4 N[C@H]1CCC[C@H]1O AC-60111 [1,0,0,0,0,0|2,1,0]=4 13 B7R1.4 N[C@H]1CCOC1=O AC-59650 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.22 OC[C@@H]1OC(O)C[C@H]1O AC-13755 [0,1,0,0,0,0|1,1,0]=3 15 B7R0.2 CC(C)C[C@@H](N)CO AC-43834 [0,0,1,0,0,0|2,1,0]=4 16 B7R0.2 COC(=O)C[C@@H](C)O AC-45412 [0,0,1,0,0,0|1,1,1]=4 17 B7R0.5 CCC[C@H](N)C(=O)O AC-15512 [0,0,1,0,0,0|2,0,1]=4 18 B7R0.5 CCOC(=O)[C@@H](C)N AC-76925 [0,0,1,0,0,0|2,0,1]=4 19 B7R0.5 CCOC(=O)[C@@H](C)O AC-79265 [0,0,1,0,0,0|1,1,1]=4 20 B7R0.7 CCCC(=S)OCC AC-29188 [0,0,1,0,0,0|2,0,1]=4 21 B7R0.7 CCOC(=O)CCN AC-28868 [0,0,1,0,0,0|2,0,1]=4 22 B7R0.7 CCOC(=O)CCS AC-74165 [0,0,1,0,0,0|1,0,1]=3 23 B9R1.34 CC1CC(=O)CC(C)C1 AC-81277 [0,0,0,0,0,1|1,1,1]=4 24 B9R1.34 CC1CC(=O)CC(C)N1 AC-76209 [0,0,0,0,0,1|1,1,1]=4 25 B6R0.1 COC(=O)CCS AC-74164 [1,0,1,0,0,0|1,0,1]=4 26 B6R0.4 CCCCB(O)O AC-11281 [1,0,1,0,0,0|2,0,0]=4 27 B6R1.2 BrC1CCNC1 AC-83481 [2,0,0,0,0,0|2,0,0]=4 28 B6R1.2 CC1=NCCC1 AC-76756 [2,0,0,0,0,0|1,0,1]=4 29 B6R1.2 CC1=NCCO1 AC-82993 [2,0,0,0,0,0|1,0,1]=4 30 B6R1.2 CC1CCCN1 AC-44592 [2,0,0,0,0,0|1,0,0]=3 31 B6R1.2 CC1CCNC1 AC-41388 [2,0,0,0,0,0|2,0,0]=4 32 B6R1.2 C[C@@H]1CCCN1 AC-64584 [2,0,0,0,0,0|1,0,0]=3 33 B6R1.2 C[C@@H]1CCCN1 AC-75579 [2,0,0,0,0,0|1,0,0]=3 34 B6R1.2 C[C@H]1CCCN1 AC-64583 [2,0,0,0,0,0|1,0,0]=3 35 B6R1.2 FC1CCNC1 AC-80571 [2,0,0,0,0,0|2,0,0]=4 36 B6R1.2 F[C@H]1CCNC1 AC-23662 [2,0,0,0,0,0|2,0,0]=4 37 B6R1.2 IC1CCOC1 AC-43302 [2,0,0,0,0,0|1,0,0]=3 38 B6R1.2 NC1CCOC1 AC-32068 [2,0,0,0,0,0|1,0,0]=3 39 B6R1.2 NC1CCOC1 AC-77272 [2,0,0,0,0,0|1,0,0]=3 40 B6R1.2 N[C@H]1CCNC1 AC-11448 [2,0,0,0,0,0|2,0,0]=4 41 B6R1.2 N[C@H]1CCOC1 AC-39277 [2,0,0,0,0,0|1,0,0]=3 42 B6R1.2 O=C1CCOC1 AC-39237 [2,0,0,0,0,0|0,1,1]=4 43 B6R1.2 OC1CCOC1 AC-17899 [2,0,0,0,0,0|0,1,0]=3 44 B6R1.2 O[C@@H]1CCNC1 AC-10540 [2,0,0,0,0,0|1,1,0]=4 45 B6R1.2 O[C@@H]1CCNC1 AC-75583 [2,0,0,0,0,0|1,1,0]=4 46 B6R1.2 O[C@H]1CCNC1 AC-10541 [2,0,0,0,0,0|1,1,0]=4 47 B6R1.2 O[C@H]1CCOC1 AC-65385 [2,0,0,0,0,0|0,1,0]=3 48 B8R0.5 CCOC(=O)CC(C)O AC-66322 [0,1,1,0,0,0|0,1,1]=4 49 B8R0.5 CCOC(=O)C[C@@H](C)O AC-15114 [0,1,1,0,0,0|0,1,1]=4 50 B8R0.5 CCOC(=O)C[C@H](C)O AC-66323 [0,1,1,0,0,0|0,1,1]=4 51 B8R0.19 CC(CO)NC(C)CO AC-79788 [0,1,1,0,0,0|1,1,0]=4 52 B8R1.1 CN1CCC(CN)C1 AC-58269 [1,1,0,0,0,0|2,0,0]=4 53 B8R1.1 CNC1CCN(C)C1 AC-19409 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.50 CC1CCN(C)C1=O AC-28575 [1,1,0,0,0,0|2,0,0]=4 55 B8R1.51 CC1(C)CCC(=O)O1 AC-83139 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.329 CC1CC(O)CC(C)(C)C1 AC-62468 [0,1,0,0,0,1|1,1,0]=4 57 B8R1.4 CC1CC(=O)CCO1 AC-40753 [0,0,1,1,0,0|0,1,1]=4 58 B8R1.4 CC1CC(O)CCN1 AC-91898 [0,0,1,1,0,0|1,1,0]=4 59 B8R1.4 CC1CCNC(C)C1 AC-79794 [0,0,1,1,0,0|2,0,0]=4 60 B8R1.4 CC1CNCC(C)C1 AC-76556 [0,0,1,1,0,0|2,0,0]=4 61 B8R1.4 CC1CNCC(C)N1 AC-14139 [0,0,1,1,0,0|2,0,0]=4 62 B8R1.4 C[C@H]1CNC[C@@H](C)N1 AC-77060 [0,0,1,1,0,0|2,0,0]=4 63 B8R1.4 C[C@H]1CNC[C@H](C)O1 AC-81399 [0,0,1,1,0,0|1,0,0]=3 64 B8R1.4 NC1CCCC(N)C1 AC-27333 [0,0,1,1,0,0|2,0,0]=4 65 B8R1.4 NC1CCCC(O)C1 AC-32513 [0,0,1,1,0,0|1,0,0]=3 66 B8R1.4 NC1CCCC(O)C1 AC-72120 [0,0,1,1,0,0|1,0,0]=3 67 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 AC-81874 [0,0,1,1,0,0|1,0,0]=3 68 B8R1.4 N[C@H]1CCC[C@@H](N)C1 AC-35134 [0,0,1,1,0,0|2,0,0]=4 69 B8R1.34 CC(C)OC1CNC1 AC-70652 [0,0,1,1,0,0|1,0,0]=3 70 B8R1.34 CC(O)CN1CCC1 AC-94166 [0,0,1,1,0,0|2,0,0]=4 71 B8R1.53 CC1(C)CC(CN)C1 AC-91154 [0,0,1,1,0,0|2,0,0]=4 72 B8R1.5 BrC1CCCCC1Br AC-77428 [0,0,1,1,0,0|2,0,0]=4 73 B8R1.5 CC1CNCCC1O AC-42712 [0,0,1,1,0,0|2,0,0]=4 74 B8R1.5 CC1CNCCC1O AC-87939 [0,0,1,1,0,0|2,0,0]=4 75 B8R1.5 CC1COCCC1O AC-81397 [0,0,1,1,0,0|2,0,0]=4 76 B8R1.5 NC1CCCCC1O AC-24447 [0,0,1,1,0,0|1,0,0]=3 77 B8R1.5 NC1CCCCC1O AC-89664 [0,0,1,1,0,0|1,0,0]=3 78 B8R1.5 NC1COCCC1O AC-84168 [0,0,1,1,0,0|2,0,0]=4 79 B8R1.5 N[C@@H]1CCCC[C@@H]1O AC-35397 [0,0,1,1,0,0|1,0,0]=3 80 B8R1.5 N[C@@H]1CCCC[C@H]1N AC-75173 [0,0,1,1,0,0|2,0,0]=4 81 B8R1.5 N[C@@H]1CCCC[C@H]1O AC-41457 [0,0,1,1,0,0|1,0,0]=3 82 B8R1.5 N[C@H]1CCCC[C@@H]1N AC-11454 [0,0,1,1,0,0|2,0,0]=4 83 B8R1.5 N[C@H]1CCCC[C@@H]1O AC-68294 [0,0,1,1,0,0|1,0,0]=3 84 B8R1.5 N[C@H]1CCCC[C@@H]1O AC-68295 [0,0,1,1,0,0|1,0,0]=3 85 B8R1.5 N[C@H]1CCCC[C@@H]1O AC-72095 [0,0,1,1,0,0|1,0,0]=3 86 B8R1.5 N[C@H]1CCCC[C@H]1O AC-35398 [0,0,1,1,0,0|1,0,0]=3 87 B8R1.5 OC1CCNCC1F AC-82814 [0,0,1,1,0,0|2,0,0]=4 88 B8R1.5 O[C@H]1CCCC[C@H]1O AC-86707 [0,0,1,1,0,0|0,1,0]=3 89 B8R1.7 CC(N)C1CCCC1 AC-75897 [0,0,1,1,0,0|2,0,0]=4 90 B8R1.8 BrCCC1OCCO1 AC-14513 [0,0,1,1,0,0|2,0,0]=4 91 B8R1.8 ClCCC1OCCO1 AC-95344 [0,0,1,1,0,0|2,0,0]=4 92 B8R1.8 NCCC1CCCC1 AC-27258 [0,0,1,1,0,0|2,0,0]=4 93 B8R1.8 OCCC1CCCC1 AC-27271 [0,0,1,1,0,0|1,1,0]=4 94 B6R1.5 CN1CC(O)C1 AC-70584 [1,0,0,0,1,0|1,1,0]=4 95 B8R1.3 CC1CCC(N)CC1 AC-15272 [1,0,0,0,0,1|2,0,0]=4 96 B8R1.3 C[C@H]1CN[C@H](C)CN1 AC-13454 [1,0,0,0,0,1|2,0,0]=4 97 B8R1.3 OC1COC(O)CO1 AC-45373 [1,0,0,0,0,1|1,1,0]=4