0 B7R0.7 CCCC(O)COC AC010185 [0,0,0,0,0,0|2,1,0]=3 1 B7R0.7 CCOC(=O)CCBr AC510407 [0,0,0,0,0,0|2,1,1]=4 2 B7R0.7 CCOC(=O)CCI AC180478 [0,0,0,0,0,0|2,1,1]=4 3 B7R0.7 CN(CCCl)CCCl HY-B1253 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.7 COCC(N)COC AC511941 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.7 ClCCC(=O)CCCl AC270026 [0,0,0,0,0,0|2,1,1]=4 6 B6R0.1 CCC(C)CNC AC010501 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 CCC(C)CNC AC010533 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.1 CCCC(C)NC AC010486 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.1 CCCC(C)NC AC010524 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.1 CCC[C@H](N)CO AC020141 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.1 CCOC(=O)CO AC130521 [1,0,0,0,0,0|1,1,1]=4 12 B6R0.6 BrCCCCC#N AC130360 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.6 BrCCNCCBr AC182596 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.6 ClCCCCC=O AC511901 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.6 OCCCCC#N AC130361 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.6 OCCCCC=O AC511239 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.6 OCCCCCBr AC500312 [1,0,0,0,0,0|1,0,0]=2 18 B8R0.1 C#CCCC(=O)CCO LN02210609 [0,1,0,0,0,0|0,1,2]=4 19 B8R0.3 CCOC(=O)[C@@H](N)CO AC511631 [0,1,0,0,0,0|1,1,1]=4 20 B8R0.5 CCCC(C)CC(C)C AC220173 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.5 CCOC(=O)C[C@@H](C)O AC180621 [0,1,0,0,0,0|1,1,1]=4 22 B8R1.4 CC1CC(=O)CCO1 AC220032 [0,0,0,1,0,0|0,1,1]=3 23 B8R1.4 CC1CCCC(C)N1 HY-B1191 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.4 CC1CCCC(N)C1 AC050625 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.4 CN1CCCC(N)C1 AC190086 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.4 NC1CCCC(O)C1 AC310112 [0,0,0,1,0,0|1,0,0]=2 27 B8R1.4 OC1CCNC(=O)C1 AC182440 [0,0,0,1,0,0|1,1,1]=4 28 B8R1.8 COCC1CCCN1 LN00001446 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.8 COCC1CCNC1 LN00001906 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.8 COC[C@@H]1CCCN1 AC180251 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.8 COC[C@H]1CCCN1 AC180592 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.8 ClCCN1CCCC1 AC190191 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.8 NCCN1CCCC1 AC190281 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.11 CN1CCC[C@@H]1CO AC182098 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.22 CC1CCCCCN1 LN00112400 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.22 CC1CCCCNC1 LN00001181 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.22 NC1CCCCNC1 AC181454 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.22 O=C1CCCNCC1 AC170015 [0,0,0,1,0,0|1,1,1]=4 39 B5R0.1 CC(N)CCO AC511165 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.1 CCCB(O)O AC500236 [2,0,0,0,0,0|1,1,0]=4 41 B5R0.1 C[C@@H](O)CCO AC500114 [2,0,0,0,0,0|0,1,0]=3 42 B5R0.1 C[C@H](N)CCO AC512035 [2,0,0,0,0,0|1,0,0]=3 43 B5R0.2 C(CCI)CCl LN00199790 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.2 CNCCCO AC510766 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.2 NCCCCBr AC511924 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.2 NCCCCO AC180225 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.2 OCCCC#N AC130359 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.2 OCCCCBr AC030135 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.3 NC(CO)CO AC500076 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.3 NCC(O)CO AC180224 [2,0,0,0,0,0|1,1,0]=4 51 B5R0.3 NC[C@@H](O)CO AC181109 [2,0,0,0,0,0|1,1,0]=4 52 B5R0.3 OCC(O)CO HY-B1659 [2,0,0,0,0,0|1,1,0]=4 53 B5R0.3 OC[C@@H](O)CCl AC510842 [2,0,0,0,0,0|1,1,0]=4 54 B7R0.2 CC[C@H](C)CC(O)=O AC181465 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.5 CCC[C@H](N)C(O)=O AC180580 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.1 COCCOCCN AC511654 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.1 NCCCCCCO AC511691 [1,1,0,0,0,0|0,0,0]=2 58 B7R0.1 NCCCNCCS AC330013 [1,1,0,0,0,0|1,1,0]=4 59 B7R0.1 OCCCCCC#C AC510906 [1,1,0,0,0,0|0,0,1]=3 60 B7R0.4 CC(O)CNCCO AC021070 [1,1,0,0,0,0|1,0,0]=3 61 B7R0.4 CCCCCC(C)N HY-B0952 [1,1,0,0,0,0|1,0,0]=3 62 B7R0.4 COCCCC(O)=O AC100091 [1,1,0,0,0,0|1,0,1]=4 63 B9R0.27 OC[C@H](O)[C@@H](O)[C@H](O)CO HY-N0538 [0,2,0,0,0,0|1,1,0]=4 64 B9R0.27 OC[C@H](O)[C@H](O)[C@H](O)CO HY-100582 [0,2,0,0,0,0|1,1,0]=4 65 B9R0.53 CC(C)C[C@@H](CC(=O)O)N LN01366893 [0,2,0,0,0,0|1,0,1]=4 66 B9R0.53 CC(C)C[C@@H](CC(=O)O)N LN01805687 [0,2,0,0,0,0|1,0,1]=4 67 B9R0.53 CC(C)C[C@H](CC(=O)O)N LN01375698 [0,2,0,0,0,0|1,0,1]=4 68 B9R0.15 CCCC(CCC)C(O)=O HY-10585 [0,2,0,0,0,0|1,1,0]=4 69 B9R0.15 CCCC(CCC)C([O-])=O HY-10585A [0,2,0,0,0,0|1,1,0]=4 70 B7R1.1 BrCC1CCCC1 AC511868 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.1 BrCC1CCOC1 AC220023 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.1 C1CC(CO)NC1 LN00004769 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.1 C1CNCC1CO LN00335121 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.1 C1COCC1CO LN00009482 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.1 C1C[C@H](CO)NC1 LN00008521 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.1 ClCC1CCOC1 AC220022 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.1 ICC1CCOC1 AC220024 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.1 NCC1CCCC1 AC050593 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.1 OCC1CCCC1 AC180018 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.1 OCC1CCCN1 AC510796 [1,0,0,1,0,0|1,0,0]=3 81 B7R1.1 OCC1CCCO1 AC190177 [1,0,0,1,0,0|0,1,0]=3 82 B7R1.1 OCC1CCOC1 AC220020 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.1 OC[C@@H]1CCCN1 AC180094 [1,0,0,1,0,0|1,0,0]=3 84 B7R1.1 OC[C@H]1CCCN1 AC190243 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.2 CN1CCC(C1)O LN00004977 [1,0,0,1,0,0|1,1,0]=4 86 B7R1.2 CN1CCC(N)C1 AC182540 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.2 CN1CCC(O)C1 AC021691 [1,0,0,1,0,0|1,1,0]=4 88 B7R1.2 CN1CC[C@H](C1)O LN00170776 [1,0,0,1,0,0|1,1,0]=4 89 B7R1.2 CN1CC[C@H](O)C1 AC181714 [1,0,0,1,0,0|1,1,0]=4 90 B7R1.3 BrC1CCNCC1 AC511729 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.3 BrC1CCOCC1 AC182117 [1,0,0,1,0,0|1,0,0]=3 92 B7R1.3 C1CSCCC1O LN00163913 [1,0,0,1,0,0|0,2,0]=4 93 B7R1.3 C=C1CCOCC1 AC220043 [1,0,0,1,0,0|1,0,1]=4 94 B7R1.3 CC1COCCN1 LN00001061 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.3 C[C@@H]1COCCN1 AC182578 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.3 C[C@H]1COCCN1 AC020353 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.3 C[C@H]1COCCN1 LN00009351 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.3 ClC1CCOCC1 AC220190 [1,0,0,1,0,0|1,0,0]=3 99 B7R1.3 FC1CCCNC1 AC160531 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.3 IC1CCOCC1 AC220044 [1,0,0,1,0,0|1,0,0]=3 101 B7R1.3 NC1CCCNC1 AC180284 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.3 NC1CCNCC1 AC220142 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.3 NC1CCOCC1 AC180691 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.3 NC1CCOCC1 AC220011 [1,0,0,1,0,0|1,0,0]=3 105 B7R1.3 NC1CCSCC1 AC040153 [1,0,0,1,0,0|1,1,0]=4 106 B7R1.3 NN1CCCCC1 AC160501 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.3 NN1CCCCC1 AC510696 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.3 NN1CCOCC1 AC130024 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.3 N[C@@H]1CCCNC1 AC020138 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.3 O=C1CCCOC1 AC220056 [1,0,0,1,0,0|0,1,1]=4 111 B7R1.3 O=C1CCOCC1 AC180169 [1,0,0,1,0,0|0,1,1]=4 112 B7R1.3 OC1CCCNC1 AC180283 [1,0,0,1,0,0|1,1,0]=4 113 B7R1.3 OC1CCCOC1 AC220041 [1,0,0,1,0,0|0,1,0]=3 114 B7R1.3 OC1CCNCC1 AC180401 [1,0,0,1,0,0|1,1,0]=4 115 B7R1.3 OC1CCNCC1 AC220140 [1,0,0,1,0,0|1,1,0]=4 116 B7R1.3 OC1CCOCC1 AC220010 [1,0,0,1,0,0|0,1,0]=3 117 B7R1.3 OC1CCSCC1 AC010334 [1,0,0,1,0,0|0,2,0]=4 118 B7R1.3 O[C@@H]1CCCNC1 AC511587 [1,0,0,1,0,0|1,1,0]=4 119 B7R1.3 O[C@H]1CCCNC1 AC181658 [1,0,0,1,0,0|1,1,0]=4 120 B7R1.4 C1C[C@@H]([C@H](C1)O)N LN00008578 [1,0,0,1,0,0|1,0,0]=3 121 B7R1.4 C[C@H]1CCC[C@@H]1O LN00004654 [1,0,0,1,0,0|0,1,0]=3 122 B7R1.4 C[C@H]1CCC[C@H]1O LN00004778 [1,0,0,1,0,0|0,1,0]=3 123 B7R1.4 C[C@H]1CNC[C@@H]1O LN00004480 [1,0,0,1,0,0|1,1,0]=4 124 B7R1.4 C[C@H]1CNC[C@H]1O LN00001611 [1,0,0,1,0,0|1,1,0]=4 125 B7R1.4 C[C@H]1COC[C@@H]1O LN00003883 [1,0,0,1,0,0|1,1,0]=4 126 B7R1.4 N[C@@H]1CCC[C@@H]1O AC182344 [1,0,0,1,0,0|1,0,0]=3 127 B7R1.4 N[C@H]1CCC[C@@H]1O AC190304 [1,0,0,1,0,0|1,0,0]=3 128 B7R1.4 N[C@H]1CCC[C@H]1O AC182114 [1,0,0,1,0,0|1,0,0]=3 129 B7R1.6 OCCN1CCC1 AC010299 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.25 CC1(CO)COC1 AC511653 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.24 C1CNCCOC1 AC050170 [1,0,0,1,0,0|1,0,0]=3 132 B7R1.24 C1CNCCOC1 LN00001820 [1,0,0,1,0,0|1,0,0]=3 133 B9R1.2 CN1CCC[C@@H](CO)C1 AC020589 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.2 CN1CCC[C@H](CO)C1 AC020588 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.8 C(CO)C1CCOCC1 LN00183595 [0,1,0,1,0,0|1,0,0]=3 136 B9R1.8 NCCC1CCOCC1 AC181428 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.8 OCCC1CCCCN1 AC180119 [0,1,0,1,0,0|1,0,0]=3 138 B9R1.8 OCCC1CCCNC1 AC170080 [0,1,0,1,0,0|1,0,0]=3 139 B9R1.8 OCCN1CCOCC1 AC511763 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.15 OC[C@H]1CCNC[C@H]1F AC160594 [0,1,0,1,0,0|1,0,0]=3 141 B9R1.22 N[C@H]1C[C@H](O)[C@H](CO)C1 AC020450 [0,1,0,1,0,0|0,1,0]=3 142 B9R1.33 CN1CCCC1CCO LN00185424 [0,1,0,1,0,0|1,0,0]=3 143 B9R1.5 CC1CCNCCC1O LN00001096 [0,1,0,1,0,0|1,1,0]=4 144 B9R1.13 C1C[C@@H](CC(=O)O)NC1 LN00338388 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.13 C1C[C@@H](CC(=O)O)NC1 LN01365844 [0,1,0,1,0,0|1,0,1]=4 146 B9R1.13 C1C[C@H](CC(=O)O)NC1 LN02056031 [0,1,0,1,0,0|1,0,1]=4 147 B9R1.13 OC(=O)CC1CCCC1 AC500174 [0,1,0,1,0,0|1,0,1]=4 148 B9R1.66 CC1(C)CC(=O)CCO1 AC050266 [0,1,0,1,0,0|0,1,1]=4 149 B9R1.66 CC1(C)CC(N)CCO1 AC050485 [0,1,0,1,0,0|1,0,0]=3 150 B9R2.39 C1[C@H]2CN[C@@H]1C[C@@H]2F LN00245231 [0,0,0,2,0,0|2,0,0]=4 151 B9R2.3 C1CC2CNCC2C1 AC181968 [0,0,0,2,0,0|2,0,0]=4 152 B9R2.3 C1C[C@H]2CNC[C@H]2C1 LN00007530 [0,0,0,2,0,0|2,0,0]=4