0 B6R0.1 CCC(C)CNC AC010501 [1,0,0,0,0,0|3,0,0]=4 1 B6R0.1 CCC(C)CNC AC010533 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.1 CCCC(C)NC AC010486 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.1 CCCC(C)NC AC010524 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.9 CCC(CC)NC AC010476 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.9 CCC(CC)NC AC010527 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.1 CCN1CCC(C1)O LN00184958 [0,0,0,1,0,0|0,0,0]=1 7 B8R1.2 BrCC1CCCCC1 AC500277 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.2 BrCC1CCNCC1 AC160050 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.2 BrCC1CCOCC1 AC181709 [0,0,0,1,0,0|2,0,0]=3 10 B8R1.2 C1CNCCC1CBr LN00191121 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.2 C1COCCC1CI LN00003775 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.2 C1COCCC1CN LN00001650 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.2 C1COCCC1NN LN00006042 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.2 CNC1CCCCC1 AC500155 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.2 CNC1CCOCC1 AC220045 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.2 FCC1CCNCC1 AC160366 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.2 ICC1CCOCC1 AC170132 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.2 NNC1CCOCC1 AC020042 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.2 O=CC1CCOCC1 AC220055 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.2 OCC1CCNCC1 AC180829 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.2 OCC1CCOCC1 AC181017 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.8 ClCCN1CCCC1 AC190191 [0,0,0,1,0,0|1,0,0]=2 23 B8R1.8 NCCN1CCCC1 AC190281 [0,0,0,1,0,0|1,0,0]=2 24 B5R0.1 CC(N)CCO AC511165 [2,0,0,0,0,0|2,0,0]=4 25 B5R0.1 CN(C)CCBr AC500092 [2,0,0,0,0,0|1,0,0]=3 26 B5R0.1 CN(C)CCBr LN00009696 [2,0,0,0,0,0|1,0,0]=3 27 B5R0.1 C[C@@H](O)CCO AC500114 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.1 C[C@H](N)CCO AC512035 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.2 CNCCCO AC510766 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.2 NCCCCO AC180225 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.2 OCCCCBr AC030135 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.2 CC[C@H](C)CC(O)=O AC181465 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.7 CN(CCCl)CCCl HY-B1253 [1,1,0,0,0,0|1,0,0]=3 34 B7R0.15 CCC(CC)C(O)=O AC190325 [1,1,0,0,0,0|1,0,1]=4 35 B9R0.43 CCN(CC)CCC(C)=O AC280069 [0,2,0,0,0,0|0,0,1]=3 36 B9R0.17 ClCCN(CCCl)CCCl HY-B1249 [0,2,0,0,0,0|1,0,0]=3 37 B9R0.17 ClCCN(CCCl)CCCl HY-B1249A [0,2,0,0,0,0|1,0,0]=3 38 B9R0.17 OCCN(CCO)CCO HY-B1809 [0,2,0,0,0,0|0,0,0]=2 39 B7R1.1 BrCC1CCOC1 AC220023 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.1 C1COCC1CO LN00009482 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.1 ClCC1CCOC1 AC220022 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.1 ICC1CCOC1 AC220024 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.1 OCC1CCOC1 AC220020 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.2 CN1CCC(C1)O LN00004977 [1,0,0,1,0,0|0,0,0]=2 45 B7R1.2 CN1CCC(N)C1 AC182540 [1,0,0,1,0,0|1,0,0]=3 46 B7R1.2 CN1CCC(O)C1 AC021691 [1,0,0,1,0,0|0,0,0]=2 47 B7R1.2 CN1CC[C@H](C1)O LN00170776 [1,0,0,1,0,0|0,0,0]=2 48 B7R1.2 CN1CC[C@H](O)C1 AC181714 [1,0,0,1,0,0|0,0,0]=2 49 B7R1.3 BrC1CCOCC1 AC182117 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.3 C=C1CCOCC1 AC220043 [1,0,0,1,0,0|1,0,1]=4 51 B7R1.3 CC1=CCOCC1 AC220042 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.3 ClC1CCOCC1 AC220190 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.3 IC1CCOCC1 AC220044 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.3 NC1CCOCC1 AC180691 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.3 NC1CCOCC1 AC220011 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.3 NN1CCCCC1 AC160501 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.3 NN1CCCCC1 AC510696 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.3 NN1CCOCC1 AC130024 [1,0,0,1,0,0|1,0,0]=3 59 B7R1.3 O=C1CCOCC1 AC180169 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.3 OC1CCOCC1 AC220010 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.6 OCCN1CCC1 AC010299 [1,0,0,1,0,0|0,0,0]=2 62 B7R1.29 OCC1(CO)CC1 AC181028 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.1 CCN1CCC(O)CC1 AC021227 [0,1,0,1,0,0|0,0,0]=2 64 B9R1.1 CNC1CCC(O)CC1 AC330005 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.12 NCCCN1CCCC1 AC500100 [0,1,0,1,0,0|1,0,0]=3 66 B9R1.6 CC(=O)C1CCOCC1 AC220050 [0,1,0,1,0,0|1,0,1]=4 67 B9R1.6 CC(=O)N1CCNCC1 AC500200 [0,1,0,1,0,0|1,0,1]=4 68 B9R1.6 CC(N)C1CCOCC1 AC220053 [0,1,0,1,0,0|1,0,0]=3 69 B9R1.6 CC(O)C1CCOCC1 AC220054 [0,1,0,1,0,0|1,0,0]=3 70 B9R1.6 CN(C)C1CCOCC1 AC220049 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.33 CN1CCCC1CCO LN00185424 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.13 OC(=O)CC1CCCC1 AC500174 [0,1,0,1,0,0|1,0,1]=4 73 B9R1.13 OC(=O)CN1CCCC1 AC190107 [0,1,0,1,0,0|0,0,1]=3 74 B9R1.13 OC(=O)CN1CCCC1 AC512039 [0,1,0,1,0,0|0,0,1]=3 75 B9R1.14 CCN1CCC[C@H]1CN AC180859 [0,1,0,1,0,0|1,0,0]=3 76 B9R1.8 C#CCN1CCOCC1 AC210021 [0,1,0,1,0,0|0,0,1]=3 77 B9R1.8 C(CO)C1CCOCC1 LN00183595 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.8 COCC1CCNCC1 AC182217 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.8 ClCCN1CCCCC1 AC500250 [0,1,0,1,0,0|1,0,0]=3 80 B9R1.8 N#CCC1CCOCC1 AC030189 [0,1,0,1,0,0|1,0,1]=4 81 B9R1.8 N#CCN1CCCCC1 AC040083 [0,1,0,1,0,0|1,0,1]=4 82 B9R1.8 NCCC1CCOCC1 AC181428 [0,1,0,1,0,0|1,0,0]=3 83 B9R1.8 NCCN1CCOCC1 AC500251 [0,1,0,1,0,0|0,0,0]=2 84 B9R1.8 OCCC1CCCCN1 AC180119 [0,1,0,1,0,0|1,0,0]=3 85 B9R1.8 OCCC1CCCNC1 AC170080 [0,1,0,1,0,0|1,0,0]=3 86 B9R1.8 OCCN1CCOCC1 AC511763 [0,1,0,1,0,0|0,0,0]=2 87 B9R1.118 NCC1(O)CCOCC1 AC181259 [0,1,0,1,0,0|2,0,0]=4 88 B9R2.174 C1CC12CCNCC2 LN00213503 [0,0,0,2,0,0|2,0,0]=4 89 B9R2.174 C1OC12CCOCC2 AC511109 [0,0,0,2,0,0|2,0,0]=4