0 B7R0.7 CC#CC(=O)OCC NO10117 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.7 CCOC(=O)CCN NO14330 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.7 CCOC(=O)CNC NO17068 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.7 CCOC(=O)COC NO11389 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CC(CN)CCN DY791871 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.1 CCCC(C)CBr DY112368 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.1 CCCC(O)CO NO20495 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.1 CCOC(=O)CC DY460554 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.1 CCOC(=O)CN DY700831 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.1 CCOC(=O)CN NO15347 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 CCOC(=O)CO NO11386 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.6 CCCCON=O DY461106 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.6 CCCCSCC DY740893 [1,0,0,0,0,0|1,1,0]=3 13 B8R0.1 CCC#CC(=O)OCC DY560139 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.1 CCOC(=O)CCCCl DY822383 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.1 CCOC(=O)CCCO DY111642 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.1 CCOCC(=O)OCC DY461136 [0,1,0,0,0,0|1,0,1]=3 17 B8R0.3 CCN(C)C(C)CCN DY604545 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.3 CCOC(=O)C(=O)CC NO13439 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.5 CC(C)OC(=O)OCCl NO19003 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.5 CCOC(=O)CC(C)O NO11353 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.5 CCOC(=O)C[C@@H](C)O NO18545 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.5 CCOC(=O)OC(C)Cl NO20668 [0,1,0,0,0,0|1,0,1]=3 23 B8R0.5 COCC(C)OC(C)=O DY822378 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.22 C#CC(OCC)OCC NO11884 [0,1,0,0,0,0|0,0,1]=2 25 B8R0.22 CCOC(C#N)OCC DY563397 [0,1,0,0,0,0|0,0,1]=2 26 B8R0.22 CCOC(CBr)OCC DY20525 [0,1,0,0,0,0|0,0,0]=1 27 B8R0.22 CCOC(CO)OCC NO19208 [0,1,0,0,0,0|0,0,0]=1 28 B8R0.30 CCNC(C)(C)CCO DY525453 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.30 CCOC(F)(F)CNC DY539439 [0,1,0,0,0,0|3,0,0]=4 30 B8R0.30 CCOP(=O)(Cl)OCC DY822349 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.4 CC1=CC(C)OCC1 DY560031 [0,0,0,1,0,0|1,0,1]=3 32 B8R1.4 CC1CCNC(C)C1 NO21125 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.4 CC1CNCC(C)C1 NO14191 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.4 CC1CNCC(C)N1 NO18625 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.4 CC1CSCC(C)N1 DY738722 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.4 C[C@@H]1CCC[C@H](O)C1 DY757141 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.4 C[C@H]1CNC[C@@H](C)N1 NO21187 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.4 C[C@H]1CNC[C@@H](C)O1 DY459894 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.4 C[C@H]1CNC[C@H](C)N1 DY103637 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.4 C[C@H]1C[C@@H](O)CCN1 DY102289 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.8 BrCCC1OCCO1 NO18251 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.8 COCC1CCCN1 DY571095 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.8 COC[C@@H]1CCCN1 NO20310 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.8 N#CCC1CCCO1 DY759470 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.8 NCCC1OCCO1 DY758978 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.11 C[C@@H]1NCC[C@@H]1CO DY664706 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.22 C=C1OCCCCO1 DY567825 [0,0,0,1,0,0|0,0,2]=3 48 B8R1.22 CC1CCOCCN1 DY685698 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.22 O=C1OCCCCO1 DY770703 [0,0,0,1,0,0|1,0,1]=3 50 B8R1.37 CCOC(=N)C1CC1 DY757813 [0,0,0,1,0,0|2,0,1]=4 51 B5R0.1 CC(C)CCBr DY460632 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.1 CCCC(C)O DY741013 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.1 CCOC(C)=N DY500026 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.1 COCC(C)O NO20741 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.1 COC[C@@H](C)O NO20249 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 COC[C@H](C)O NO20309 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 C\C=C\[C@H](C)O DY791877 [2,0,0,0,0,0|1,0,1]=4 58 B5R0.2 CCC#CCC DY740797 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.2 CCCCCBr NO20657 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.2 CCOCCBr NO21396 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.2 COCCCBr NO20649 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.2 COCCCO NO20039 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.2 COCCOC DY546591 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.3 CCC(=O)OC DY460566 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.3 CCC(N)CO DY20718 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.3 CCC(N)CO DY741331 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.3 CCC(O)CN DY519471 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.3 CCC(O)CO DY822703 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.3 CCN(O)CC DY551655 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.3 CC[C@@H](N)CO NO15119 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.3 CC[C@H](C)C#N DY822231 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.3 CC[C@H](N)CO DY10528 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.3 CC[C@H](O)CO NO15622 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.3 CO[C@H](C)CN DY622119 [2,0,0,0,0,0|1,0,0]=3 75 B5R0.3 CO[C@H](C)CN NO17733 [2,0,0,0,0,0|1,0,0]=3 76 B5R0.3 CO[C@H](C)CO NO12306 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.3 CCCOC(C)CN DY605531 [1,1,0,0,0,0|1,0,0]=3 78 B7R0.3 CCN(C)CCCO DY604490 [1,1,0,0,0,0|2,0,0]=4 79 B7R0.5 CCCC(C)C(C)=O DY740965 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.5 CCOC(=O)C(C)C NO11388 [1,1,0,0,0,0|1,0,1]=4 81 B7R0.5 CCOC(=O)C(C)N DY628935 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.5 CCOC(=O)[C@@H](C)O NO20075 [1,1,0,0,0,0|1,0,1]=4 83 B7R0.10 CC[C@H](C)[C@H](N)CO NO18903 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.10 COC(=O)C(C)OC DY822756 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.12 CCOC(CC)CN DY605537 [1,1,0,0,0,0|0,0,0]=2 86 B7R0.12 COCC(OC)OC DY822270 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.1 CCCOCCCN DY740653 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.1 COCCOCCBr DY559431 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.1 COCCOCCCl DY740401 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.1 OCCOCCCCl DY740305 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.4 CC(C)OCCCN DY546693 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.4 CCCCCC(C)O NO21570 [1,1,0,0,0,0|2,0,0]=4 93 B9R0.5 CCO\C=C\C(=O)OCC DY20656 [0,2,0,0,0,0|1,0,1]=4 94 B9R0.35 CCOC(=N)C(=O)OCC NO13440 [0,2,0,0,0,0|1,0,1]=4 95 B9R0.35 CCOC(=O)C(=O)OCC DY41888 [0,2,0,0,0,0|1,0,1]=4 96 B9R0.66 CCO[Si](C)(C)CCCN DY792483 [0,2,0,0,0,0|1,1,0]=4 97 B9R0.53 CC(C)OC(=O)OC(C)C DY565407 [0,2,0,0,0,0|1,0,1]=4 98 B9R0.53 CC(C)OC(=O)OC(C)Cl NO20669 [0,2,0,0,0,0|1,0,1]=4 99 B9R0.17 CCOC(CCN)OCC DY553869 [0,2,0,0,0,0|0,0,0]=2 100 B9R0.59 CCOP(=O)(CCl)OCC DY460068 [0,2,0,0,0,0|1,0,0]=3 101 B9R0.59 CCOP(=O)(CO)OCC NO11238 [0,2,0,0,0,0|1,0,0]=3 102 B7R1.1 BrCC1CCCC1 DY20145 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.1 BrCC1OCCO1 NO21401 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.1 C#CC1CCCO1 DY586043 [1,0,0,1,0,0|0,0,2]=4 105 B7R1.1 CCC1CCCN1 DY738230 [1,0,0,1,0,0|1,0,0]=3 106 B7R1.1 CCC1CCNC1 DY585732 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.1 CNC1CCCC1 DY757231 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.1 COC1=NCCC1 NO10423 [1,0,0,1,0,0|1,0,1]=4 109 B7R1.1 COC1CCCC1 DY459258 [1,0,0,1,0,0|1,0,0]=3 110 B7R1.1 COC1CCNC1 NO22350 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.1 CO[C@@H]1CCNC1 NO12137 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.1 CO[C@H]1CCNC1 DY510861 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.1 CO[C@H]1CCNC1 NO12136 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.1 FC[C@@H]1CCCN1 DY100102 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.1 NCC1CCCC1 NO14873 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.1 NCC1CCCN1 NO15469 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.1 NC[C@H]1CCCN1 NO15745 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.1 OCC1CCCC1 NO11185 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.1 OCC1CCCN1 DY556821 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.1 OCC1CCCN1 DY668415 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.1 OCC1CCCO1 DY20392 [1,0,0,1,0,0|1,0,0]=3 122 B7R1.1 OC[C@@H]1CCCN1 NO22640 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.1 OC[C@H]1CCCN1 NO17003 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.1 OC[C@H]1CCCO1 DY542355 [1,0,0,1,0,0|1,0,0]=3 125 B7R1.2 CC1CCC(C)N1 DY585723 [1,0,0,1,0,0|1,0,0]=3 126 B7R1.2 C[C@@H]1CC[C@@H](C)N1 DY102818 [1,0,0,1,0,0|1,0,0]=3 127 B7R1.3 BrC1CCCCC1 NO11079 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.3 CC1C=CCCO1 DY560079 [1,0,0,1,0,0|0,0,2]=4 129 B7R1.3 CC1CCCCN1 DY20418 [1,0,0,1,0,0|1,0,0]=3 130 B7R1.3 CC1CNCCN1 NO13503 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.3 CC1CNCCO1 NO21692 [1,0,0,1,0,0|1,0,0]=3 132 B7R1.3 CC1COCCN1 NO22371 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.3 C[C@@H]1CCCNC1 NO16133 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.3 C[C@@H]1CNCCN1 DY622137 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.3 C[C@@H]1CNCCN1 NO17164 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.3 C[C@@H]1CNCCO1 NO14521 [1,0,0,1,0,0|1,0,0]=3 137 B7R1.3 C[C@@H]1COCCN1 NO14856 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.3 C[C@@H]1COCCN1 NO20285 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.3 C[C@H]1CNCCN1 NO17167 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.3 C[C@H]1CNCCO1 NO14515 [1,0,0,1,0,0|1,0,0]=3 141 B7R1.3 C[C@H]1CNCCO1 NO19299 [1,0,0,1,0,0|1,0,0]=3 142 B7R1.3 C[C@H]1COCCN1 DY20820 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.3 C[C@H]1COCCN1 NO22413 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.3 O=C1CCCCO1 NO11208 [1,0,0,1,0,0|1,0,1]=4 145 B7R1.4 CC1CCCC1O DY757267 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.4 CC1CCOC1=O DY759320 [1,0,0,1,0,0|1,0,1]=4 147 B7R1.4 CC1OCCC1=O NO14135 [1,0,0,1,0,0|1,0,1]=4 148 B7R1.5 C[C@@H]1C[C@@H]1CCO DY544215 [1,0,0,1,0,0|2,0,0]=4 149 B7R1.6 CCOC1CNC1 DY577479 [1,0,0,1,0,0|1,0,0]=3 150 B7R1.6 OCCC1CCO1 DY551169 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.21 CCOC1(O)CC1 NO16017 [1,0,0,1,0,0|1,0,0]=3 152 B7R1.22 CC[C@H](N)C1CC1 DY585988 [1,0,0,1,0,0|2,0,0]=4 153 B7R1.27 CCC1(C)ON1C DY549645 [1,0,0,1,0,0|1,0,0]=3 154 B7R1.7 CCNCC1CC1 DY606135 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.24 C1CNCCOC1 NO17007 [1,0,0,1,0,0|2,0,0]=4 156 B9R1.2 CCN1CCN[C@H](C)C1 DY548511 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.2 CN1CCOC(CN)C1 NO21704 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.2 CN1CCO[C@@H](CO)C1 DY508436 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.2 C[C@@H]1CNC[C@@H](CO)O1 DY607305 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.2 C[C@H]1CCOC(C=O)C1 DY586418 [0,1,0,1,0,0|1,0,1]=4 161 B9R1.8 CCNC1CCCCC1 NO11778 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.8 CCNC1CCCNC1 DY774573 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.8 CCN[C@@H]1CCCNC1 DY631916 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.8 CNCC1CNCCO1 DY732373 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.8 NCCC1CCCCO1 DY553407 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.8 NCCC1CCCOC1 DY606573 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.8 OCCC1COCCO1 DY603514 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.8 OCC[C@H]1CCCCO1 DY527163 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.12 CCCOC1CCNC1 DY585375 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.12 CCNCC1CCCN1 DY717255 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.12 COCCC1CCCN1 DY580917 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.12 NCCCC1CCCC1 DY562863 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.12 NCCOC1CCCC1 DY585784 [0,1,0,1,0,0|1,0,0]=3 174 B9R1.12 OCCCC1OCCO1 DY759266 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.48 CC1CCNCC(C)C1 DY586365 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.69 C[C@H]1CN[C@H](C)[C@@H](C)O1 DY536103 [0,1,0,1,0,0|1,0,0]=3 177 B9R1.3 CC1CCNC(C)C1Br DY427293 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.11 COC(=O)[C@@H]1CCCO1 DY576465 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.11 O=C(CBr)C1CCCO1 DY585542 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.82 COC(=O)[C@H]1C[C@H](C)O1 DY585926 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.13 CC(C)NC1CCCC1 DY585787 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.13 CC(C)NC1CCCC1 DY757381 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.13 CC(C)O[C@H]1CCNC1 DY625231 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.34 CC1CC(=O)CC(C)O1 DY425912 [0,1,0,1,0,0|1,0,1]=4 185 B9R1.34 CC1CC(O)CC(C)O1 DY586419 [0,1,0,1,0,0|1,0,0]=3 186 B9R1.14 CCN1CCCC1CN NO10140 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.14 CCN1CCC[C@@H]1CN DY621338 [0,1,0,1,0,0|2,0,0]=4 188 B9R2.68 C1CC2CNCC1O2 NO10860 [0,0,0,2,0,0|2,0,0]=4 189 B9R2.3 C1C[C@H]2OCC[C@H]2N1 DY541137 [0,0,0,2,0,0|2,0,0]=4 190 B9R2.173 C1CC2(CCO2)CN1 DY102909 [0,0,0,2,0,0|2,0,0]=4