0 B7R0.1 COCCOCCN AC511654 [1,0,0,0,0,0|3,0,0]=4 1 B7R0.1 NCCCCCCO AC511691 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.1 NCCCNCCS AC330013 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.1 OCCCCCC#C AC510906 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.4 CC(O)CNCCO AC021070 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.4 CCCCCC(C)N HY-B0952 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.4 COCCCC(O)=O AC100091 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.5 CCOC(=O)CCCCBr AC511147 [0,1,0,0,0,0|1,0,2]=4 8 B9R0.8 CCCCC(Br)C(=O)OC AC021420 [0,1,0,0,0,0|1,0,2]=4 9 B9R0.46 COC(=O)CCCCCN AC511582 [0,1,0,0,0,0|1,0,2]=4 10 B9R0.47 CCCCC[C@H](N)C(O)=O AC512037 [0,1,0,0,0,0|2,0,1]=4 11 B9R1.1 CCN1CCC(O)CC1 AC021227 [0,0,0,1,0,0|1,0,0]=2 12 B9R1.1 CN1CCC(CN)CC1 AC510937 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.1 CN1CCC(CO)CC1 AC181622 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.1 CNC1CCC(O)CC1 AC330005 [0,0,0,1,0,0|1,0,0]=2 15 B9R1.1 CNC1CCN(C)CC1 AC180167 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.1 COC1CCC(=O)CC1 AC511834 [0,0,0,1,0,0|1,0,2]=4 17 B9R1.1 COC1CCC(N)CC1 AC182760 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.1 OC1CCC(CC1)C#N AC182735 [0,0,0,1,0,0|1,0,1]=3 19 B9R1.2 CN1CCC[C@@H](CO)C1 AC020589 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.2 CN1CCC[C@H](CO)C1 AC020588 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.5 CC1CCNCCC1=O LN00001918 [0,0,0,1,0,0|1,0,2]=4 22 B9R1.5 CC1CCNCCC1O LN00001096 [0,0,0,1,0,0|1,0,0]=2 23 B9R1.49 CN1CCCC(=O)CC1 AC182168 [0,0,0,1,0,0|1,0,2]=4 24 B9R1.50 O=C1CCCCCCC1 AC510797 [0,0,0,1,0,0|0,0,2]=3 25 B9R1.89 OC[C@@H]1CCCCCN1 AC020186 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.118 CC1(CO)CCNCC1 AC182548 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.118 NCC1(O)CCOCC1 AC181259 [0,0,0,1,0,0|2,0,0]=3 28 B6R0.6 OCCCCC#N AC130361 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.6 OCCCCC=O AC511239 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.6 OCCCCCBr AC500312 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.1 CCC(C)CNC AC010501 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.1 CCC(C)CNC AC010533 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.1 CCCC(C)NC AC010486 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.1 CCCC(C)NC AC010524 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.1 CCC[C@H](N)CO AC020141 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.4 CC(C)CCCO AC510897 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.4 CCCCB(O)O AC090160 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.4 CNCCC(C)C AC010487 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.4 CNCCC(C)C AC010537 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.4 C=CCCCCCCI LN01331461 [1,1,0,0,0,0|0,0,2]=4 41 B8R0.4 COCCNCCOC AC220165 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.7 CC(C)CCCCCBr AC250009 [1,1,0,0,0,0|1,0,0]=3 43 B8R0.7 CC(C)NCCCCO AC021626 [1,1,0,0,0,0|2,0,0]=4 44 B8R0.7 CCCCCCB(O)O AC090081 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.5 CCCC(C)CC(C)C AC220173 [1,1,0,0,0,0|1,0,0]=3 46 B8R0.5 CCOC(=O)C[C@@H](C)O AC180621 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.28 CC(C)CCCC(C)N HY-B1233 [1,1,0,0,0,0|1,0,0]=3 48 B8R1.2 BrCC1CCCCC1 AC500277 [1,0,0,1,0,0|1,0,0]=3 49 B8R1.2 BrCC1CCNCC1 AC160050 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.2 BrCC1CCOCC1 AC181709 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.2 C1CC(CF)CNC1 LN00169987 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.2 C1CNCCC1CBr LN00191121 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.2 C1COCCC1CI LN00003775 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.2 C1COCCC1CN LN00001650 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.2 CCC1CNCCN1 AC050333 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.2 CC[C@@H]1CNCCN1 AC020437 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.2 CC[C@H]1CNCCN1 AC020349 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.2 CNC1CCCCC1 AC500155 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.2 CNC1CCOCC1 AC220045 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.2 FCC1CCCNC1 AC160126 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.2 FCC1CCNCC1 AC160366 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.2 ICC1CCOCC1 AC170132 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.2 NNC1CCCCC1 AC510702 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.2 OCC1CCCNC1 AC180122 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.2 OCC1CCCOC1 AC050373 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.2 OCC1CCNCC1 AC180829 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.2 OCC1CCOCC1 AC181017 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.2 OC[C@@H]1CCCCN1 AC160434 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.2 [C-]#[N+]C1CCCCC1 AC190311 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.5 CC1CNCCN1C AC511879 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.5 CC1COCCC1N AC050303 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.5 C[C@@H]1CCNC[C@@H]1O LN00001944 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.5 C[C@@H]1CCNC[C@H]1O LN00001670 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.5 N[C@@H]1CCCC[C@H]1N AC021058 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.5 N[C@@H]1CCCC[C@H]1N HY-17371 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.5 N[C@@H]1CCCC[C@H]1O AC182207 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.5 N[C@H]1CCCC[C@@H]1N AC021057 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.5 N[C@H]1CCCC[C@@H]1O AC130140 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.5 N[C@H]1CCCC[C@H]1N AC511022 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.8 COCC1CCCN1 LN00001446 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.8 COCC1CCNC1 LN00001906 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.8 COC[C@@H]1CCCN1 AC180251 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.8 COC[C@H]1CCCN1 AC180592 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.8 ClCCN1CCCC1 AC190191 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.8 NCCN1CCCC1 AC190281 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.10 OCCCN1CCC1 AC010288 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.11 CN1CCC[C@@H]1CO AC182098 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.22 CC1CCCCCN1 LN00112400 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.22 CC1CCCCNC1 LN00001181 [1,0,0,1,0,0|1,0,0]=3 90 B8R1.22 CC1CNCCCO1 LN00001905 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.22 NC1CCCCNC1 AC181454 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.1 CCN1CCC(C1)O LN00184958 [1,0,0,1,0,0|1,0,0]=3 93 B8R1.3 CN1CCC(O)CC1 AC511326 [1,0,0,1,0,0|1,0,0]=3 94 B8R1.3 C[C@H]1CC[C@H](N)CC1 AC182092 [1,0,0,1,0,0|1,0,0]=3 95 B8R1.3 N[C@H]1CC[C@H](N)CC1 AC500280 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.3 OC1CCC(=O)CC1 AC070138 [1,0,0,1,0,0|1,0,1]=4 97 B8R1.52 NCC1(O)CCCC1 AC190097 [1,0,0,1,0,0|1,0,0]=3 98 B8R1.4 CC1CCCC(C)N1 HY-B1191 [1,0,0,1,0,0|1,0,0]=3 99 B8R1.4 CC1CCCC(N)C1 AC050625 [1,0,0,1,0,0|1,0,0]=3 100 B8R1.4 CC1CNCC(C)N1 AC500169 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.4 CN1CCCC(N)C1 AC190086 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.4 NC1CCCC(O)C1 AC310112 [1,0,0,1,0,0|1,0,0]=3 103 B8R1.7 CC(=O)C1CCCC1 AC512080 [1,0,0,1,0,0|0,0,2]=4 104 B8R1.7 OB(O)C1CCCC1 AC090189 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.7 OC(=O)C1CCCC1 AC180019 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.7 OC(=O)C1CCCC1 AC500306 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.34 OC(=O)CC1CCC1 AC050613 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.72 CC1(C)CCNCC1 AC511246 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.72 CC1(O)CCNCC1 AC020360 [1,0,0,1,0,0|1,0,0]=3 110 B8R1.72 CC1(O)CCNCC1 AC220196 [1,0,0,1,0,0|1,0,0]=3 111 B10R1.13 CN(C)C1CCC(CC1)O LN00337305 [0,1,0,1,0,0|1,0,0]=3 112 B10R1.13 CN(C)C1CCC(O)CC1 AC182379 [0,1,0,1,0,0|1,0,0]=3 113 B10R1.13 O[C@H]1CC[C@@H](CC1)C(O)=O AC021053 [0,1,0,1,0,0|1,0,1]=4 114 B10R1.21 BrCCCCC1OCCO1 AC050684 [0,1,0,1,0,0|1,0,0]=3 115 B10R1.85 OCCN1CCCCCC1 AC020646 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.137 CCOC(=O)CC1CCC1 AC050526 [0,1,0,1,0,0|0,0,2]=4 117 B10R1.35 COC1C[C@H](O)[C@@H](CO)O1 AC021417 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.1 CCCC1CCC(=O)CC1 AC180544 [0,1,0,1,0,0|0,0,2]=4 119 B10R1.2 OC[C@H]1NCC[C@@H](O)[C@@H]1O HY-13005 [0,1,0,1,0,0|2,0,0]=4 120 B10R2.409 C1CN2CCC1NCC2 AC182736 [0,0,0,2,0,0|2,0,0]=4 121 B10R2.582 OC12CCN(CC1)CC2 AC020297 [0,0,0,2,0,0|1,0,0]=3 122 B10R2.2 O[C@@H]1C[C@@H]2CNC[C@@H]2C1 AC010289 [0,0,0,2,0,0|1,0,0]=3 123 B10R2.2 O[C@H]1C[C@@H]2CNC[C@@H]2C1 AC010292 [0,0,0,2,0,0|1,0,0]=3 124 B10R2.14 C1CC1C2CC(=NC2)O LN00229514 [0,0,0,2,0,0|1,0,1]=4