0 B8R1.2 BrCC1CCCCC1 AC500277 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 BrCC1CCNCC1 AC160050 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 BrCC1CCOCC1 AC181709 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 C1CC(CF)CNC1 LN00169987 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.2 C1CNCCC1CBr LN00191121 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 C1COCCC1CI LN00003775 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 C1COCCC1CN LN00001650 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 C1COCCC1NN LN00006042 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.2 C1CO[C@H](CN)CO1 LN00214849 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.2 CCC1CNCCN1 AC050333 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 CC[C@@H]1CNCCN1 AC020437 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 CC[C@H]1CNCCN1 AC020349 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.2 CNC1CCCCC1 AC500155 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.2 CNC1CCOCC1 AC220045 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.2 FCC1CCCNC1 AC160126 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.2 FCC1CCNCC1 AC160366 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.2 ICC1CCOCC1 AC170132 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.2 N#CC1=CCCCO1 AC170032 [0,0,0,0,0,0|1,0,3]=4 18 B8R1.2 N#C[C@@H]1CNCCN1 AC020281 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.2 N#C[C@H]1CNCCN1 AC020282 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.2 NNC1CCCCC1 AC510702 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.2 NNC1CCOCC1 AC020042 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.2 NOC1CCCCO1 AC500056 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.2 O=CC1CCOCC1 AC220055 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.2 OCC1CCCNC1 AC180122 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.2 OCC1CCCOC1 AC050373 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.2 OCC1CCNCC1 AC180829 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.2 OCC1CCOCC1 AC181017 [0,0,0,0,0,0|2,0,0]=2 28 B8R1.2 OC[C@@H]1CCCCN1 AC160434 [0,0,0,0,0,0|1,0,0]=1 29 B8R1.2 OC[C@@H]1CNCCO1 AC182725 [0,0,0,0,0,0|1,0,0]=1 30 B8R1.2 OC[C@H]1CNCCO1 AC182609 [0,0,0,0,0,0|1,0,0]=1 31 B8R1.2 [C-]#[N+]C1CCCCC1 AC190311 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.3 BrC1CCNCC1 AC511729 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.3 BrC1CCOCC1 AC182117 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.3 C1CSCCC1O LN00163913 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.3 CC1=CCCCC1 AC220166 [1,0,0,0,0,0|1,0,1]=3 36 B7R1.3 CC1=CCNCC1 AC250025 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.3 CC1=CCOCC1 AC220042 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.3 CC1CNCCO1 AC182283 [1,0,0,0,0,0|1,0,0]=2 39 B7R1.3 CC1CNCCO1 LN00002207 [1,0,0,0,0,0|1,0,0]=2 40 B7R1.3 CC1COCCN1 LN00001061 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.3 C[C@@H]1CNCCO1 LN00221932 [1,0,0,0,0,0|1,0,0]=2 42 B7R1.3 C[C@@H]1COCCN1 AC182578 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.3 C[C@H]1CNCCO1 LN00221210 [1,0,0,0,0,0|1,0,0]=2 44 B7R1.3 C[C@H]1COCCN1 AC020353 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.3 C[C@H]1COCCN1 LN00009351 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 ClC1CCOCC1 AC220190 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.3 FC1CCCNC1 AC160531 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.3 IC1CCOCC1 AC220044 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.3 NC1CCCNC1 AC180284 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.3 NC1CCNCC1 AC220142 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.3 NC1CCOCC1 AC180691 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.3 NC1CCOCC1 AC220011 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.3 NC1CCSCC1 AC040153 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.3 NN1CCCCC1 AC160501 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.3 NN1CCCCC1 AC510696 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.3 N[C@@H]1CCCNC1 AC020138 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.3 OC1CCCNC1 AC180283 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.3 OC1CCCOC1 AC220041 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.3 OC1CCNCC1 AC180401 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.3 OC1CCNCC1 AC220140 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.3 OC1CCOCC1 AC220010 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.3 OC1CCSCC1 AC010334 [1,0,0,0,0,0|2,0,0]=3 63 B7R1.3 O[C@@H]1CCCNC1 AC511587 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.3 O[C@H]1CCCNC1 AC181658 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.1 CCN1CCC(O)CC1 AC021227 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.1 CN1CCC(CN)CC1 AC510937 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.1 CN1CCC(CO)CC1 AC181622 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.1 CNC1CCC(O)CC1 AC330005 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.1 COC1CCC(N)CC1 AC182760 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.1 OC1CCC(CC1)C#N AC182735 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.2 CN1CCC[C@@H](CO)C1 AC020589 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.2 CN1CCC[C@H](CO)C1 AC020588 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.6 C1CNC(CN1)C(=O)O LN00009512 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.6 CC(=O)C1CCCCC1 AC510963 [0,1,0,0,0,0|1,0,2]=4 75 B9R1.6 CC(N)C1CCOCC1 AC220053 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.6 CC(O)C1CCOCC1 AC220054 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.6 FC(F)C1CCCNC1 AC160034 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.6 OB(O)C1=CCCCC1 AC510995 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.6 OB(O)C1CCCCC1 AC510772 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.6 OC(=O)C1=CCCCO1 AC170089 [0,1,0,0,0,0|0,0,3]=4 81 B9R1.6 OC(=O)C1CCCCC1 AC190179 [0,1,0,0,0,0|1,0,1]=3 82 B9R1.6 OC(=O)C1CCCCN1 AC130051 [0,1,0,0,0,0|1,0,1]=3 83 B9R1.6 OC(=O)C1CCCCN1 AC510756 [0,1,0,0,0,0|1,0,1]=3 84 B9R1.6 OC(=O)C1CCCCO1 AC170058 [0,1,0,0,0,0|0,0,1]=2 85 B9R1.6 OC(=O)C1CCCOC1 AC170092 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.6 OC(=O)C1CCNCC1 AC180124 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.6 OC(=O)C1CCOCC1 AC180391 [0,1,0,0,0,0|2,0,1]=4 88 B9R1.6 OC(=O)C1CNCCN1 AC180739 [0,1,0,0,0,0|2,0,1]=4 89 B9R1.6 OC(=O)C1COCCN1 AC170096 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.6 OC(=O)[C@@H]1CNCCN1 AC020777 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.6 OC(=O)[C@@H]1COCCN1 AC181656 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.6 OC(=O)[C@H]1CCCCN1 AC180578 [0,1,0,0,0,0|1,0,1]=3 93 B9R1.6 OC(=O)[C@H]1CNCCN1 AC181744 [0,1,0,0,0,0|2,0,1]=4 94 B9R1.8 C(CO)C1CCOCC1 LN00183595 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.8 C1CC(CC#N)CNC1 LN00170850 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.8 COCC1CCNCC1 AC182217 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.8 ClCCN1CCCCC1 AC500250 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.8 N#CCC1CCCCC1 AC030191 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.8 N#CCC1CCCNC1 AC160476 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.8 N#CCC1CCNCC1 AC160265 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.8 N#CCC1CCOCC1 AC030189 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.8 N#CCN1CCCCC1 AC040083 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.8 NCCC1CCOCC1 AC181428 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.8 OCCC1CCCCN1 AC180119 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.8 OCCC1CCCNC1 AC170080 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.8 OCCN1CCOCC1 AC511763 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.15 OC[C@H]1CCNC[C@H]1F AC160594 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.118 CC1(CO)CCNCC1 AC182548 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.118 NCC1(O)CCOCC1 AC181259 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.1 C#CCOCCOC LN02003873 [0,0,1,0,0,0|2,0,1]=4 111 B7R0.1 COCCOCCN AC511654 [0,0,1,0,0,0|2,0,0]=3 112 B7R0.1 NCCCCCCO AC511691 [0,0,1,0,0,0|1,0,0]=2 113 B7R0.1 NCCCNCCS AC330013 [0,0,1,0,0,0|2,1,0]=4 114 B7R0.1 OCCCCCC#C AC510906 [0,0,1,0,0,0|1,0,1]=3 115 B9R2.53 OC1C2CC1CNC2 AC010346 [0,0,0,1,0,0|2,0,0]=3 116 B9R2.68 C1CC2CNCC1O2 AC020348 [0,0,0,1,0,0|2,0,0]=3 117 B9R2.68 C1CC2COCC1N2 AC182775 [0,0,0,1,0,0|3,0,0]=4 118 B9R2.68 C1CC2COCC1N2 LN00007433 [0,0,0,1,0,0|3,0,0]=4 119 B9R2.174 C1CC12CCNCC2 LN00213503 [0,0,0,1,0,0|3,0,0]=4 120 B9R2.174 C1CC12CNCCN2 AC020191 [0,0,0,1,0,0|3,0,0]=4 121 B9R2.174 C1CC12CNCCN2 AC020793 [0,0,0,1,0,0|3,0,0]=4 122 B9R2.174 C1OC12CCOCC2 AC511109 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.1 BrCC1CCCC1 AC511868 [0,0,0,0,1,0|1,0,0]=2 124 B7R1.1 BrCC1CCOC1 AC220023 [0,0,0,0,1,0|2,0,0]=3 125 B7R1.1 C1CC(CO)NC1 LN00004769 [0,0,0,0,1,0|1,0,0]=2 126 B7R1.1 C1CCC(C1)C=O LN00189003 [0,0,0,0,1,0|0,0,2]=3 127 B7R1.1 C1CNCC1CO LN00335121 [0,0,0,0,1,0|1,0,0]=2 128 B7R1.1 C1COCC1C#N LN00005530 [0,0,0,0,1,0|2,0,1]=4 129 B7R1.1 C1COCC1CO LN00009482 [0,0,0,0,1,0|1,0,0]=2 130 B7R1.1 C1C[C@H](CO)NC1 LN00008521 [0,0,0,0,1,0|1,0,0]=2 131 B7R1.1 CN[C@@H]1CCNC1 LN01743108 [0,0,0,0,1,0|3,0,0]=4 132 B7R1.1 COC1CCNC1 LN00159339 [0,0,0,0,1,0|3,0,0]=4 133 B7R1.1 ClCC1CCOC1 AC220022 [0,0,0,0,1,0|2,0,0]=3 134 B7R1.1 ICC1CCOC1 AC220024 [0,0,0,0,1,0|2,0,0]=3 135 B7R1.1 N#CC1CCNC1 AC160026 [0,0,0,0,1,0|2,0,1]=4 136 B7R1.1 N#CC1CCNC1 AC160074 [0,0,0,0,1,0|2,0,1]=4 137 B7R1.1 N#CC1CCOC1 AC220025 [0,0,0,0,1,0|2,0,1]=4 138 B7R1.1 N#C[C@@H]1CCCN1 AC181493 [0,0,0,0,1,0|2,0,1]=4 139 B7R1.1 NCC1CCCC1 AC050593 [0,0,0,0,1,0|1,0,0]=2 140 B7R1.1 NNC1CCCC1 AC050475 [0,0,0,0,1,0|2,0,0]=3 141 B7R1.1 NNC1CCCC1 AC050611 [0,0,0,0,1,0|2,0,0]=3 142 B7R1.1 O=CC1CCCC1 AC020554 [0,0,0,0,1,0|0,0,2]=3 143 B7R1.1 O=CC1CCOC1 AC220027 [0,0,0,0,1,0|1,0,2]=4 144 B7R1.1 OCC1CC=CC1 AC181767 [0,0,0,0,1,0|0,0,2]=3 145 B7R1.1 OCC1CCCC1 AC180018 [0,0,0,0,1,0|0,0,0]=1 146 B7R1.1 OCC1CCCN1 AC510796 [0,0,0,0,1,0|1,0,0]=2 147 B7R1.1 OCC1CCCO1 AC190177 [0,0,0,0,1,0|0,0,0]=1 148 B7R1.1 OCC1CCOC1 AC220020 [0,0,0,0,1,0|1,0,0]=2 149 B7R1.1 OC[C@@H]1CCCN1 AC180094 [0,0,0,0,1,0|1,0,0]=2 150 B7R1.1 OC[C@H]1CCCN1 AC190243 [0,0,0,0,1,0|1,0,0]=2 151 B9R1.89 OC[C@@H]1CCCCCN1 AC020186 [0,0,0,0,0,1|1,0,0]=2 152 B6R0.6 OCCCCC#N AC130361 [1,0,1,0,0,0|1,0,1]=4 153 B6R0.6 OCCCCC=O AC511239 [1,0,1,0,0,0|0,0,2]=4 154 B6R0.6 OCCCCCBr AC500312 [1,0,1,0,0,0|1,0,0]=3 155 B6R0.1 CCC(C)CNC AC010501 [1,0,1,0,0,0|2,0,0]=4 156 B6R0.1 CCC(C)CNC AC010533 [1,0,1,0,0,0|2,0,0]=4 157 B6R0.1 CCCC(C)NC AC010486 [1,0,1,0,0,0|1,0,0]=3 158 B6R0.1 CCCC(C)NC AC010524 [1,0,1,0,0,0|1,0,0]=3 159 B6R0.1 CCC[C@H](N)CO AC020141 [1,0,1,0,0,0|1,0,0]=3 160 B6R0.1 CCOC(=O)CO AC130521 [1,0,1,0,0,0|1,0,1]=4 161 B6R0.4 CC(C)CCCO AC510897 [1,0,1,0,0,0|2,0,0]=4 162 B6R0.4 CC(C)OCCBr AC512105 [1,0,1,0,0,0|1,0,0]=3 163 B6R0.4 CCCCB(O)O AC090160 [1,0,1,0,0,0|1,0,0]=3 164 B6R0.4 CNCCC(C)C AC010487 [1,0,1,0,0,0|2,0,0]=4 165 B6R0.4 CNCCC(C)C AC010537 [1,0,1,0,0,0|2,0,0]=4 166 B6R0.9 CCC(CC)NC AC010476 [1,0,1,0,0,0|2,0,0]=4 167 B6R0.9 CCC(CC)NC AC010527 [1,0,1,0,0,0|2,0,0]=4 168 B6R0.9 COC(CBr)OC AC510940 [1,0,1,0,0,0|2,0,0]=4 169 B6R1.1 C1CC=CCO1 AC220033 [2,0,0,0,0,0|0,0,2]=4 170 B6R1.1 C1CCNCC1 AC511092 [2,0,0,0,0,0|1,0,0]=3 171 B6R1.1 C1CCNNC1 LN00001482 [2,0,0,0,0,0|2,0,0]=4 172 B6R1.1 C1CCNNC1 LN00009925 [2,0,0,0,0,0|2,0,0]=4 173 B6R1.1 C1CCONC1 AC070036 [2,0,0,0,0,0|1,0,0]=3 174 B6R1.1 C1CCONC1 LN00001538 [2,0,0,0,0,0|1,0,0]=3 175 B6R1.1 C1CNCCN1 HY-B0912 [2,0,0,0,0,0|2,0,0]=4 176 B6R1.1 C1COC=CC1 AC220191 [2,0,0,0,0,0|0,0,2]=4 177 B6R1.1 C1CSCCN1 AC500065 [2,0,0,0,0,0|1,1,0]=4 178 B6R1.1 C1CSCSC1 AC130234 [2,0,0,0,0,0|1,1,0]=4 179 B8R0.4 C=CCCCCCCI LN01331461 [0,1,1,0,0,0|2,0,0]=4 180 B8R0.4 COCCNCCOC AC220165 [0,1,1,0,0,0|2,0,0]=4 181 B8R0.7 CC(C)CCCCCBr AC250009 [0,1,1,0,0,0|2,0,0]=4 182 B8R0.7 CC(C)NCCCCO AC021626 [0,1,1,0,0,0|2,0,0]=4 183 B8R0.7 CCCCCCB(O)O AC090081 [0,1,1,0,0,0|2,0,0]=4 184 B8R0.7 NCCCCCC(O)=O AC510865 [0,1,1,0,0,0|1,0,1]=4 185 B8R0.7 NCCCCCC(O)=O HY-B0236 [0,1,1,0,0,0|1,0,1]=4 186 B8R0.7 OC(=O)CCCCCBr AC510767 [0,1,1,0,0,0|1,0,1]=4 187 B8R0.22 CCOC(CN)OCC AC130159 [0,1,1,0,0,0|1,0,0]=3 188 B8R1.3 CN1CCC(O)CC1 AC511326 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.3 C[C@H]1CC[C@H](N)CC1 AC182092 [1,1,0,0,0,0|1,0,0]=3 190 B8R1.3 N[C@H]1CC[C@H](N)CC1 AC500280 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.3 OC1CCC(=O)CC1 AC070138 [1,1,0,0,0,0|1,0,1]=4 192 B8R1.3 OC1COC(O)CO1 AC500041 [1,1,0,0,0,0|1,0,0]=3 193 B8R1.4 CC1CC(=O)CCO1 AC220032 [1,1,0,0,0,0|0,0,1]=3 194 B8R1.4 CC1CCCC(C)N1 HY-B1191 [1,1,0,0,0,0|1,0,0]=3 195 B8R1.4 CC1CCCC(N)C1 AC050625 [1,1,0,0,0,0|1,0,0]=3 196 B8R1.4 CC1CNCC(C)N1 AC500169 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.4 CN1CCCC(N)C1 AC190086 [1,1,0,0,0,0|2,0,0]=4 198 B8R1.4 NC1CCCC(O)C1 AC310112 [1,1,0,0,0,0|1,0,0]=3 199 B8R1.5 CC1CNCCC1=O AC050554 [1,1,0,0,0,0|2,0,0]=4 200 B8R1.5 CC1CNCCC1=O AC050590 [1,1,0,0,0,0|2,0,0]=4 201 B8R1.5 CC1CNCCC1=O LN00001086 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.5 CC1CNCCN1C AC511879 [1,1,0,0,0,0|2,0,0]=4 203 B8R1.5 CC1COCCC1=O AC182732 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.5 CC1COCCC1N AC050303 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.5 C[C@@H]1CCNC[C@@H]1O LN00001944 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.5 C[C@@H]1CCNC[C@H]1O LN00001670 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.5 N[C@@H]1CCCC[C@H]1N AC021058 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.5 N[C@@H]1CCCC[C@H]1N HY-17371 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.5 N[C@@H]1CCCC[C@H]1O AC182207 [1,1,0,0,0,0|1,0,0]=3 210 B8R1.5 N[C@H]1CCCC[C@@H]1N AC021057 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.5 N[C@H]1CCCC[C@@H]1O AC130140 [1,1,0,0,0,0|1,0,0]=3 212 B8R1.5 N[C@H]1CCCC[C@H]1N AC511022 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.72 CC1(C)CCNCC1 AC511246 [1,1,0,0,0,0|2,0,0]=4 214 B8R1.72 CC1(C)CNCCN1 AC182060 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.72 CC1(C)CNCCO1 AC182432 [1,1,0,0,0,0|1,0,0]=3 216 B8R1.72 CC1(O)CCNCC1 AC020360 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.72 CC1(O)CCNCC1 AC220196 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.1 BrCC1CCC(=O)O1 AC021454 [0,1,0,0,1,0|1,0,1]=4 219 B8R1.1 CCN1CCC(C1)O LN00184958 [0,1,0,0,1,0|2,0,0]=4 220 B8R1.1 OCC1CCC(=O)N1 AC160496 [0,1,0,0,1,0|1,0,1]=4 221 B8R1.1 OC[C@@H]1CCC(=O)N1 AC020686 [0,1,0,0,1,0|1,0,1]=4 222 B8R1.1 OC[C@@H]1CCC(=O)O1 AC180593 [0,1,0,0,1,0|0,0,1]=3 223 B8R1.1 OC[C@H]1CCC(=O)N1 AC170007 [0,1,0,0,1,0|1,0,1]=4 224 B8R1.7 CC(=O)C1CCCC1 AC512080 [0,1,0,0,1,0|0,0,2]=4 225 B8R1.7 OB(O)C1CCCC1 AC090189 [0,1,0,0,1,0|1,0,0]=3 226 B8R1.7 OC(=O)C1CCCC1 AC180019 [0,1,0,0,1,0|0,0,1]=3 227 B8R1.7 OC(=O)C1CCCC1 AC500306 [0,1,0,0,1,0|0,0,1]=3 228 B8R1.7 OC(=O)C1CCCO1 AC511285 [0,1,0,0,1,0|0,0,1]=3 229 B8R1.7 OC(=O)C1CCCS1 AC040081 [0,1,0,0,1,0|0,1,1]=4 230 B8R1.7 OC(=O)C1CCOC1 AC190250 [0,1,0,0,1,0|1,0,1]=4 231 B8R1.7 OC(=O)[C@@H]1CCCO1 AC190278 [0,1,0,0,1,0|0,0,1]=3 232 B8R1.7 OC(=O)[C@@H]1CCNC1 AC182243 [0,1,0,0,1,0|1,0,1]=4 233 B8R1.7 OC(=O)[C@H]1CCNC1 AC182027 [0,1,0,0,1,0|1,0,1]=4 234 B8R1.8 COCC1CCCN1 LN00001446 [0,1,0,0,1,0|1,0,0]=3 235 B8R1.8 COCC1CCNC1 LN00001906 [0,1,0,0,1,0|1,0,0]=3 236 B8R1.8 COC[C@@H]1CCCN1 AC180251 [0,1,0,0,1,0|1,0,0]=3 237 B8R1.8 COC[C@H]1CCCN1 AC180592 [0,1,0,0,1,0|1,0,0]=3 238 B8R1.8 ClCCN1CCCC1 AC190191 [0,1,0,0,1,0|2,0,0]=4 239 B8R1.8 NCCN1CCCC1 AC190281 [0,1,0,0,1,0|2,0,0]=4 240 B8R1.11 CN1CCC[C@@H]1CO AC182098 [0,1,0,0,1,0|1,0,0]=3 241 B8R1.52 NCC1(O)CCCC1 AC190097 [0,1,0,0,1,0|1,0,0]=3 242 B10R1.85 OCCN1CCCCCC1 AC020646 [0,1,0,0,0,1|2,0,0]=4 243 B10R1.13 O[C@H]1CC[C@@H](CC1)C(O)=O AC021053 [0,2,0,0,0,0|1,0,1]=4 244 B10R1.26 OCC1CCC(F)(F)CN1 AC160939 [0,2,0,0,0,0|1,0,0]=3 245 B10R1.2 OC[C@H]1NCC[C@@H](O)[C@@H]1O HY-13005 [0,2,0,0,0,0|1,0,0]=3 246 B10R1.171 OCC1CNCC(F)(F)C1 AC160937 [0,2,0,0,0,0|2,0,0]=4 247 B10R1.15 BrCC(=O)C1CCCCC1 AC230031 [0,2,0,0,0,0|2,0,0]=4 248 B10R1.15 COC(=O)C1CCCCC1 AC511706 [0,2,0,0,0,0|1,0,1]=4 249 B10R1.15 COC(=O)C1CCCCN1 AC182079 [0,2,0,0,0,0|1,0,1]=4 250 B10R1.15 COC(=O)C1CCCCO1 AC170120 [0,2,0,0,0,0|0,0,1]=3 251 B10R1.15 COC(=O)[C@@H]1CCCCN1 AC160322 [0,2,0,0,0,0|1,0,1]=4 252 B10R1.15 COC(=O)[C@H]1CCCCN1 AC160321 [0,2,0,0,0,0|1,0,1]=4 253 B10R1.363 C[C@@]1(CCCCN1)C(O)=O AC020355 [0,2,0,0,0,0|1,0,1]=4 254 B10R1.363 C[C@]1(CCCCN1)C(O)=O AC020354 [0,2,0,0,0,0|1,0,1]=4 255 B10R1.17 C#CCOC1CCCCO1 LN00239970 [0,2,0,0,0,0|1,0,0]=3 256 B10R1.17 COCCC1CCCCN1 AC030024 [0,2,0,0,0,0|1,0,0]=3 257 B10R1.17 COCCC1CCNCC1 AC160519 [0,2,0,0,0,0|2,0,0]=4 258 B10R1.17 OCCCC1CCNCC1 AC181409 [0,2,0,0,0,0|2,0,0]=4 259 B10R1.17 OCCCN1CCCCC1 AC070122 [0,2,0,0,0,0|2,0,0]=4 260 B10R1.18 C1CC(CC(=O)O)CNC1 LN00214899 [0,2,0,0,0,0|2,0,0]=4 261 B10R1.18 OB(O)CC1CCCCC1 AC090127 [0,2,0,0,0,0|1,0,0]=3 262 B10R1.18 OC(=O)CC1CCCNC1 AC170098 [0,2,0,0,0,0|2,0,0]=4 263 B10R1.18 OC(=O)CC1CCNCC1 AC170072 [0,2,0,0,0,0|2,0,0]=4 264 B10R1.18 OC(=O)CC1CCNCC1 AC181391 [0,2,0,0,0,0|2,0,0]=4 265 B10R1.18 OC(=O)CC1CCOCC1 AC170121 [0,2,0,0,0,0|2,0,0]=4 266 B10R1.18 OC(=O)CC1CNCCO1 AC320012 [0,2,0,0,0,0|1,0,0]=3 267 B10R1.38 OCC1CNCCC1(F)F AC160938 [0,2,0,0,0,0|2,0,0]=4 268 B8R1.10 OCCCN1CCC1 AC010288 [0,0,1,1,0,0|2,0,0]=4 269 B8R1.22 CC1CCCCCN1 LN00112400 [0,0,1,1,0,0|2,0,0]=4 270 B8R1.22 CC1CCCCNC1 LN00001181 [0,0,1,1,0,0|2,0,0]=4 271 B8R1.22 CC1CNCCCO1 LN00001905 [0,0,1,1,0,0|2,0,0]=4 272 B8R1.22 NC1CCCCNC1 AC181454 [0,0,1,1,0,0|2,0,0]=4 273 B8R1.60 OCC1(CO)CCC1 AC010056 [0,0,1,1,0,0|2,0,0]=4 274 B8R2.55 C1CC12CCNC2 LN00246588 [0,0,0,1,1,0|2,0,0]=4 275 B10R2.409 C1CN2CCC1NCC2 AC182736 [0,0,0,1,0,1|2,0,0]=4 276 B10R2.62 O[C@@H]1CN2CCC1CC2 AC020661 [0,1,0,1,0,0|2,0,0]=4 277 B10R2.62 O[C@H]1CN2CCC1CC2 AC020268 [0,1,0,1,0,0|2,0,0]=4 278 B10R2.71 NC1CC2CCC(C1)O2 AC120025 [0,1,0,1,0,0|1,0,0]=3 279 B10R2.7 C1CNC[C@H]2[C@H]1CCO2 LN00007055 [0,1,0,1,0,0|2,0,0]=4 280 B10R2.484 C1OCC12CCCNC2 AC030183 [0,1,0,1,0,0|2,0,0]=4 281 B10R2.484 C1OCC12CCNCC2 AC020364 [0,1,0,1,0,0|2,0,0]=4 282 B6R1.2 BrC1CCOC1 AC190141 [1,0,0,0,1,0|2,0,0]=4 283 B6R1.2 C1CNCC1F LN00001937 [1,0,0,0,1,0|2,0,0]=4 284 B6R1.2 C1CNC[C@@H]1O LN00165601 [1,0,0,0,1,0|1,0,0]=3 285 B6R1.2 C1COCC1I LN00003379 [1,0,0,0,1,0|2,0,0]=4 286 B6R1.2 C1COC[C@H]1O LN00007278 [1,0,0,0,1,0|1,0,0]=3 287 B6R1.2 CC1=CCCC1 AC220188 [1,0,0,0,1,0|0,0,2]=4 288 B6R1.2 CC1CCNC1 LN00002080 [1,0,0,0,1,0|1,0,0]=3 289 B6R1.2 C[C@@H]1CCCN1 AC200009 [1,0,0,0,1,0|1,0,0]=3 290 B6R1.2 ClC1CCOC1 AC220018 [1,0,0,0,1,0|2,0,0]=4 291 B6R1.2 F[C@@H]1CCNC1 AC511015 [1,0,0,0,1,0|2,0,0]=4 292 B6R1.2 F[C@H]1CCNC1 AC511044 [1,0,0,0,1,0|2,0,0]=4 293 B6R1.2 IC1CCOC1 AC220019 [1,0,0,0,1,0|2,0,0]=4 294 B6R1.2 NC1CCNC1 AC220157 [1,0,0,0,1,0|2,0,0]=4 295 B6R1.2 NC1CCOC1 AC220015 [1,0,0,0,1,0|2,0,0]=4 296 B6R1.2 NN1CCCC1 AC160502 [1,0,0,0,1,0|2,0,0]=4 297 B6R1.2 OC1CC=CC1 AC181108 [1,0,0,0,1,0|0,0,2]=4 298 B6R1.2 OC1CCCC1 AC190215 [1,0,0,0,1,0|0,0,0]=2 299 B6R1.2 OC1CCNC1 AC181524 [1,0,0,0,1,0|1,0,0]=3 300 B6R1.2 OC1CCOC1 AC021063 [1,0,0,0,1,0|1,0,0]=3 301 B6R1.2 O[C@@H]1CCOC1 AC180598 [1,0,0,0,1,0|1,0,0]=3 302 B6R1.2 O[C@H]1CCNC1 AC021101 [1,0,0,0,1,0|1,0,0]=3 303 B6R1.2 O[C@H]1CCNC1 AC510620 [1,0,0,0,1,0|1,0,0]=3 304 B6R1.2 O[C@H]1CCOC1 AC180577 [1,0,0,0,1,0|1,0,0]=3 305 B6R1.6 C1COC1CO LN00172179 [0,0,0,0,2,0|0,0,0]=2 306 B6R1.6 NNC1CCC1 AC040161 [0,0,0,0,2,0|2,0,0]=4 307 B6R1.6 O=CC1CCC1 AC050499 [0,0,0,0,2,0|0,0,2]=4 308 B6R1.6 OCC1CCC1 AC180017 [0,0,0,0,2,0|0,0,0]=2 309 B6R1.6 OCC1CNC1 AC190004 [0,0,0,0,2,0|1,0,0]=3 310 B6R1.6 OCC1COC1 AC511184 [0,0,0,0,2,0|1,0,0]=3