0 B9R0.45 CCCCCCCCCI DY795411 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.45 CCCCCCCCNC NO15827 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.45 ClCCCCCCCCCl NO20556 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.45 FCCCCCCCCF DY822303 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.45 NCCCCNCCCN DY549279 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.45 OCCCCCCCCBr NO14609 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.45 OCCCCCCCCCl DY543033 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.45 OCCCCCCCCF DY822295 [0,0,0,0,0,0|1,0,2]=3 8 B9R0.45 OCCCCCCCCO NO20567 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.4 C#CCCCCCCO NO10833 [1,0,0,0,0,0|0,0,3]=4 10 B8R0.4 C=CCCCCCCO DY740623 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.4 CCCCCCCCN DY506682 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.4 CCCCCCCCS DY741379 [1,0,0,0,0,0|0,1,0]=2 13 B8R0.4 CCCCNCCCC NO11229 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.4 FCCCCCCCF DY822302 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.4 OCCCCCCCBr NO13415 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.4 OCCCCCCCF DY822294 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.4 OCCCNCCCO NO21826 [1,0,0,0,0,0|2,0,1]=4 18 B10R0.1 CCCCCCC(O)CCO DY741139 [0,1,0,0,0,0|0,0,2]=3 19 B10R0.4 CCCCCCCCC(=O)[O-] DY740629 [0,1,0,0,0,0|0,0,0]=1 20 B10R0.4 CCCCCCCCC(C)C NO21688 [0,1,0,0,0,0|1,0,1]=3 21 B10R0.4 NCCOCCOCC(=O)O NO12154 [0,1,0,0,0,0|3,0,0]=4 22 B10R0.71 BrCCCCCCCCCBr NO20559 [0,1,0,0,0,0|1,0,1]=3 23 B10R0.71 C=CCCCCCCCCBr NO20576 [0,1,0,0,0,0|1,0,0]=2 24 B10R0.71 CCCCCCCCCCBr DY822469 [0,1,0,0,0,0|1,0,1]=3 25 B10R0.71 ClCCCCCCCCCCl NO20560 [0,1,0,0,0,0|1,0,1]=3 26 B10R0.71 ClCCCCOCCCCCl DY21038 [0,1,0,0,0,0|2,0,1]=4 27 B10R0.71 OCCCCCCCCCF DY822296 [0,1,0,0,0,0|0,0,2]=3 28 B10R0.71 OCCCCNCCCCO DY572229 [0,1,0,0,0,0|1,0,2]=4 29 B10R0.74 CCCCCCCC(=O)NO NO11097 [0,1,0,0,0,0|1,0,2]=4 30 B10R0.91 CCCCCC(=O)\C=C\C=O DY503457 [0,1,0,0,0,0|0,0,3]=4 31 B10R0.91 CCCCCC(O)\C=C\C=O DY570585 [0,1,0,0,0,0|0,0,2]=3 32 B10R0.91 CCCCCN(C)CCC#N DY740449 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.4 CC1CCCCN1CC#N DY775426 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.4 CCCC1=CCCCC1=O DY106174 [0,0,0,1,0,0|0,0,2]=3 35 B10R1.4 CN1CCCCC1CC#N DY775107 [0,0,0,1,0,0|2,0,1]=4 36 B10R1.17 BrCCCC1CCOCC1 DY504231 [0,0,0,1,0,0|2,0,1]=4 37 B10R1.17 C=CCCC1CCCCC1 DY585613 [0,0,0,1,0,0|1,0,0]=2 38 B10R1.17 CCCCC1CCNCC1 NO14224 [0,0,0,1,0,0|2,0,1]=4 39 B10R1.17 CCCC[C@H]1CNCCN1 DY585237 [0,0,0,1,0,0|2,0,1]=4 40 B10R1.17 NCCCC1CCCNC1 DY637160 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.17 OCCCC1CCCCN1 DY602693 [0,0,0,1,0,0|1,0,2]=4 42 B10R1.17 OCCCC1CCNCC1 DY568113 [0,0,0,1,0,0|1,0,2]=4 43 B10R1.17 OCCCC1CCNCC1 DY637184 [0,0,0,1,0,0|1,0,2]=4 44 B10R1.17 OCCCC1CCOCC1 DY554499 [0,0,0,1,0,0|1,0,2]=4 45 B10R1.19 CNC1CCCCNC1=O DY685481 [0,0,0,1,0,0|2,0,0]=3 46 B10R1.19 COC1CCCCCC1N DY585651 [0,0,0,1,0,0|2,0,1]=4 47 B10R1.20 CNC1CCCCC1NC NO15024 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.20 CN[C@@H]1CCCC[C@H]1NC NO10587 [0,0,0,1,0,0|3,0,0]=4 49 B10R1.20 CN[C@@H]1CCCC[C@H]1NC NO14748 [0,0,0,1,0,0|3,0,0]=4 50 B10R1.20 CN[C@H]1CCCC[C@@H]1NC NO19383 [0,0,0,1,0,0|3,0,0]=4 51 B10R1.20 CN[C@H]1CCCC[C@H]1NC DY756961 [0,0,0,1,0,0|3,0,0]=4 52 B10R1.21 CCCCNC1CCCC1 DY610739 [0,0,0,1,0,0|2,0,1]=4 53 B10R1.21 CNCCCC1CCCC1 DY602949 [0,0,0,1,0,0|2,0,0]=3 54 B10R1.29 CCCCN1CCCC1=O DY550161 [0,0,0,1,0,0|1,0,0]=2 55 B10R1.29 CCCNC1CCCC1O DY509354 [0,0,0,1,0,0|1,0,2]=4 56 B10R1.29 CCNCC1CCCN1C DY667934 [0,0,0,1,0,0|3,0,0]=4 57 B7R0.1 BrCCCCCCBr NO20550 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.1 C#CCCCCCC DY740767 [2,0,0,0,0,0|0,0,2]=4 59 B7R0.1 C=CCCCCCBr NO19607 [2,0,0,0,0,0|1,0,1]=4 60 B7R0.1 CCCOCCCN DY740653 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.1 ClCCCCCCI DY550149 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.1 FCCCCCCF DY822301 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.1 NCCCCCCN DY740617 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.1 OCCCCCCBr NO14335 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.1 OCCCCCCF DY822293 [2,0,0,0,0,0|1,0,1]=4 66 B7R0.1 SCCCCCCS DY741367 [2,0,0,0,0,0|1,1,0]=4 67 B9R0.2 C=CCCCCCC(=O)O DY741061 [1,1,0,0,0,0|0,0,2]=4 68 B9R0.2 CCCCCCCB(O)O DY454048 [1,1,0,0,0,0|1,0,1]=4 69 B9R0.2 CCCCCCOC(=O)Cl NO11449 [1,1,0,0,0,0|1,0,0]=3 70 B9R0.2 CNCCOCCC(=O)O DY739619 [1,1,0,0,0,0|2,0,0]=4 71 B9R0.2 COCCCCCC(=O)O DY603806 [1,1,0,0,0,0|1,0,0]=3 72 B9R0.2 NCCCCCCC(=O)O NO10138 [1,1,0,0,0,0|1,0,0]=3 73 B9R0.2 O=C(O)CCCCCCO NO10820 [1,1,0,0,0,0|1,0,0]=3 74 B9R0.18 CCCCC(N)CCCC DY428161 [1,1,0,0,0,0|0,0,1]=3 75 B9R0.46 CCCCCCC(C)NN DY555681 [1,1,0,0,0,0|2,0,0]=4 76 B11R0.2 CCCCCCC(C)CC(=O)O DY112332 [0,2,0,0,0,0|0,0,0]=2 77 B11R0.176 CCOC(=O)CCCCC(=O)O DY461226 [0,2,0,0,0,0|1,0,1]=4 78 B11R0.30 CC(C)C#CCCCCC(=O)O DY741427 [0,2,0,0,0,0|0,0,2]=4 79 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl DY500511 [0,2,0,0,0,0|1,0,1]=4 80 B11R0.30 O=C(O)CCCCCCC(=O)O NO11964 [0,2,0,0,0,0|1,0,1]=4 81 B11R0.40 C=CC(=O)OCCCCCCBr DY461394 [0,2,0,0,0,0|2,0,0]=4 82 B11R0.148 C=CCCCCCCCC(=O)O DY791529 [0,2,0,0,0,0|0,0,1]=3 83 B11R0.148 CCCCCCCCOC(=O)Cl DY461292 [0,2,0,0,0,0|0,0,0]=2 84 B11R0.148 CCCCCCC\C=C\C(=O)O DY424008 [0,2,0,0,0,0|0,0,1]=3 85 B11R0.148 CCCC\C=C\CCCC(=O)O DY822613 [0,2,0,0,0,0|0,0,1]=3 86 B11R0.148 O=C(O)CCOCCOCCO DY457756 [0,2,0,0,0,0|2,0,0]=4 87 B11R0.159 CCCCCCCC[N+](C)(C)C DY501542 [0,2,0,0,0,0|2,0,0]=4 88 B11R0.3 CCCCCCCCCCCI DY740761 [0,2,0,0,0,0|1,0,1]=4 89 B11R0.3 CCCCCCCC\C=C\CO DY740917 [0,2,0,0,0,0|0,0,1]=3 90 B11R0.3 FCCCCCCCCCCF DY822304 [0,2,0,0,0,0|1,0,1]=4 91 B11R0.3 OCCCCCCCCCCF DY822297 [0,2,0,0,0,0|0,0,2]=4 92 B9R1.5 NC1CCCCNC1=O NO15569 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.5 NC1CCCCNC1=O NO15816 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.5 N[C@H]1CCCCNC1=O DY545019 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.5 O=C1NCCCCC1Br DY550035 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.8 BrCCC1CCCCC1 DY530061 [1,0,0,1,0,0|1,0,0]=3 97 B9R1.8 BrCCN1CCCCC1 NO16757 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.8 CCNC1CCCCC1 NO11778 [1,0,0,1,0,0|1,0,1]=4 99 B9R1.8 CNCC1CCCCC1 DY609279 [1,0,0,1,0,0|1,0,1]=4 100 B9R1.8 COCC1CCCCN1 DY458555 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.8 ClCCN1CCCCC1 NO19629 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.8 FCCC1CCCNC1 DY636868 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.8 NCCC1CCCCC1 NO18358 [1,0,0,1,0,0|1,0,0]=3 104 B9R1.8 NCCC1CCCCO1 DY553407 [1,0,0,1,0,0|1,0,1]=4 105 B9R1.8 NCCC1CCCOC1 DY606573 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.8 NCCC1CCOCC1 DY20509 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.8 NCCC1CCOCC1 DY552609 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.8 NCCN1CCCCC1 NO16099 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.8 O=CCN1CCOCC1 DY732559 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.8 OCCC1CCCCN1 NO13732 [1,0,0,1,0,0|1,0,1]=4 111 B9R1.8 OCCC1CCCCN1 NO17564 [1,0,0,1,0,0|1,0,1]=4 112 B9R1.8 OCC[C@@H]1CCCCN1 DY571947 [1,0,0,1,0,0|1,0,1]=4 113 B9R1.8 OCC[C@H]1CCCCO1 DY527163 [1,0,0,1,0,0|1,0,1]=4 114 B9R1.8 OCC[C@H]1CCCNC1 DY586608 [1,0,0,1,0,0|1,0,1]=4 115 B9R1.12 C=CCNC1CCCC1 DY585789 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.12 CCNCC1CCCN1 DY717255 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.12 COCCC1CCCN1 DY580917 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.12 NCCCC1CCCC1 DY562863 [1,0,0,1,0,0|1,0,0]=3 119 B9R1.12 NCCCN1CCCC1 NO20406 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.12 NCCOC1CCCC1 DY585784 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.14 CCN1CCCC1CN NO10140 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.14 CCN1CCC[C@@H]1CN DY621338 [1,0,0,1,0,0|2,0,0]=4 123 B9R1.15 CCC1CNCCC1=O NO17950 [1,0,0,1,0,0|1,0,0]=3 124 B9R1.15 CCC1NCCCC1=O DY636158 [1,0,0,1,0,0|1,0,0]=3 125 B9R1.15 CN1CCCCC1CO NO18858 [1,0,0,1,0,0|1,0,1]=4 126 B9R1.15 CN1CCCC[C@@H]1CO NO16091 [1,0,0,1,0,0|1,0,1]=4 127 B9R1.15 CN1CCCC[C@H]1CN DY623439 [1,0,0,1,0,0|2,0,0]=4 128 B9R1.15 CN1CCCC[C@H]1CO NO16092 [1,0,0,1,0,0|1,0,1]=4 129 B9R1.15 COC1CCCCC1=O DY822546 [1,0,0,1,0,0|1,0,0]=3 130 B9R1.15 COC1CCCNC1=O NO12712 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.15 CO[C@@H]1CCCC[C@@H]1N DY757159 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.15 CO[C@H]1CCCC[C@@H]1O DY620334 [1,0,0,1,0,0|1,0,1]=4 133 B9R1.15 C[C@H]1CCCCN1N=O DY794955 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.15 N#CC1CCCCC1=O DY33325 [1,0,0,1,0,0|1,0,1]=4 135 B9R1.15 O=C1CCCCC1CO DY587110 [1,0,0,1,0,0|1,0,0]=3 136 B9R1.33 CN1CCC[C@@H]1CCN NO17253 [1,0,0,1,0,0|2,0,0]=4 137 B9R1.33 CN1CCC[C@@H]1CCO DY621819 [1,0,0,1,0,0|1,0,1]=4 138 B9R1.33 CN1CCC[C@H]1CCN DY105423 [1,0,0,1,0,0|2,0,0]=4 139 B9R1.33 CN1CCC[C@H]1CCN NO17948 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.50 O=C1CCCCCCN1 NO21316 [1,0,0,1,0,0|1,0,0]=3 141 B11R1.16 CNCC(C)C1CCCCC1 DY558825 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.78 CCCCCCC1CC(=O)C1 DY822476 [0,1,0,1,0,0|0,0,0]=2 143 B11R1.110 NCCC1CCCCC(=O)N1 DY743701 [0,1,0,1,0,0|1,0,0]=3 144 B11R1.180 CCCCCN1CCCC1=O DY584574 [0,1,0,1,0,0|0,0,0]=2 145 B11R1.199 CCOC(=O)C1CCCC1=O NO20511 [0,1,0,1,0,0|1,0,1]=4 146 B11R1.53 CC(=O)N1CCCCC1CN DY632552 [0,1,0,1,0,0|2,0,0]=4 147 B11R1.53 CCN1CCCCC1C(=O)O DY458309 [0,1,0,1,0,0|1,0,0]=3 148 B11R1.86 CC1CCCCN1CC(=O)O DY635076 [0,1,0,1,0,0|1,0,0]=3 149 B11R1.91 CC(=O)CCN1CCCCC1 DY638438 [0,1,0,1,0,0|1,0,0]=3 150 B11R1.91 CC(=O)NCC1CCCCN1 DY641678 [0,1,0,1,0,0|2,0,0]=4 151 B11R1.91 CC(C)CCC1CCCNC1 DY585532 [0,1,0,1,0,0|2,0,0]=4 152 B11R1.91 NC(=O)CCC1CCCNC1 DY603580 [0,1,0,1,0,0|1,0,0]=3 153 B11R1.91 NC(=O)CCN1CCCCC1 DY637130 [0,1,0,1,0,0|1,0,0]=3 154 B11R1.91 O=C(O)C#CC1CCCCC1 NO16585 [0,1,0,1,0,0|0,0,2]=4 155 B11R1.91 O=C(O)CCC1CCCCC1 DY567957 [0,1,0,1,0,0|0,0,0]=2 156 B11R1.91 O=C(O)CCC1CCCNC1 DY458219 [0,1,0,1,0,0|1,0,0]=3 157 B11R1.91 O=C(O)CCC1OCCCO1 DY685451 [0,1,0,1,0,0|2,0,0]=4 158 B11R1.91 O=C(O)COC1CCCCC1 DY568815 [0,1,0,1,0,0|1,0,0]=3 159 B11R1.91 O=C(O)COC1CCNCC1 DY607161 [0,1,0,1,0,0|2,0,0]=4 160 B11R1.143 CC(=O)N1CCNCC[C@H]1C DY743707 [0,1,0,1,0,0|2,0,0]=4 161 B11R1.172 O=C(O)CCNC1CCCC1 DY585778 [0,1,0,1,0,0|1,0,0]=3 162 B11R1.742 O=C(O)CN1CCCNCC1 DY585905 [0,1,0,1,0,0|2,0,0]=4 163 B11R1.5 NCCN1CCCCCC1=O DY743161 [0,1,0,1,0,0|1,0,0]=3 164 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O DY604725 [0,1,0,1,0,0|0,0,2]=4 165 B11R1.17 CCNCC1CCCCN1C DY640387 [0,1,0,1,0,0|2,0,0]=4 166 B11R1.28 NCCCCC1CCCCC1 DY795543 [0,1,0,1,0,0|1,0,1]=4 167 B11R1.28 NCCCNC1CCCCC1 DY549057 [0,1,0,1,0,0|1,0,1]=4 168 B11R1.28 NCCCOC1CCCCC1 DY606105 [0,1,0,1,0,0|1,0,1]=4 169 B11R2.20 C1CCC2CCCCC2C1 DY822272 [0,0,0,2,0,0|1,0,1]=4 170 B11R2.106 O=C1CNCC2CCCN12 DY586593 [0,0,0,2,0,0|2,0,0]=4 171 B11R2.1 O=C1NC[C@@H]2CCNC[C@H]12 DY101947 [0,0,0,2,0,0|2,0,0]=4 172 B11R2.12 O=C1CCC12CCOCC2 DY525075 [0,0,0,2,0,0|1,0,0]=3 173 B11R2.164 N#CC1CC2CCC1CC2 DY567723 [0,0,0,2,0,0|1,0,1]=4 174 B11R2.238 C1CNCC(CC2CC2)C1 DY637088 [0,0,0,2,0,0|2,0,0]=4 175 B11R2.3 O=C1NCCC12CCNC2 DY103625 [0,0,0,2,0,0|2,0,0]=4 176 B11R2.3 O=C1NCCC12CCNC2 DY665873 [0,0,0,2,0,0|2,0,0]=4