0 B9R0.45 BrCCCCCCCCBr AK-48263 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.45 C#CCCCCCCCO AK117239 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.45 C=CCCCCCCCBr AK161876 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.45 C=CCCCCCCCCl AK164575 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.45 CCCCCCCCCBr AK164444 [0,0,0,0,0,0|1,0,0]=1 5 B9R0.45 ClCCOCCOCCO AK113441 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.45 NCCOCCOCCO AK105247 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.45 OCCCCCCCCBr AK113930 [0,0,0,0,0,0|1,0,0]=1 8 B9R0.45 OCCOCCOCCO AK-72565 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.4 BrCCCCCCCBr AK109234 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.4 C(CCCCO)CCBr AK-41195 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.4 C=CCCCCCCCl AK164503 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.4 OCCCCCCC#C AK-48557 [1,0,0,0,0,0|0,0,2]=3 13 B8R0.4 OCCCCCCCO AK-44723 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.4 OCCCNCCCO AK-33226 [1,0,0,0,0,0|2,0,0]=3 15 B10R0.1 CCOC(=O)CCCCCBr AK111109 [0,1,0,0,0,0|2,0,1]=4 16 B10R0.1 O=C(OCC)CCCCCN AK145590 [0,1,0,0,0,0|2,0,1]=4 17 B10R0.4 CCCCCCCCB(O)O AK-84208 [0,1,0,0,0,0|1,0,0]=2 18 B10R0.4 O=C(O)CCCCCCCBr AK-33752 [0,1,0,0,0,0|1,0,1]=3 19 B10R0.4 O=C(O)CCCCCCCN AK-45259 [0,1,0,0,0,0|1,0,1]=3 20 B10R0.71 C(CCCCBr)CCCCBr AK-48264 [0,1,0,0,0,0|1,0,0]=2 21 B10R0.71 C=CCCCCCCCCBr AK-48406 [0,1,0,0,0,0|1,0,1]=3 22 B10R0.71 COCCOCCOCCN AK-99978 [0,1,0,0,0,0|3,0,0]=4 23 B10R0.71 ClCCCCCCCCCCl AK-48518 [0,1,0,0,0,0|1,0,0]=2 24 B10R0.71 NCCNCCCNCCN AK112068 [0,1,0,0,0,0|3,0,0]=4 25 B10R0.71 OCCCCCCCCCBr AK-77024 [0,1,0,0,0,0|0,0,0]=1 26 B10R0.71 OCCCCCCCCCO AK117066 [0,1,0,0,0,0|0,0,0]=1 27 B10R0.74 CCCCCCCC(NN)=O AK117029 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.74 CCCCCCCC(NO)=O AK-43792 [0,1,0,0,0,0|1,0,1]=3 29 B10R0.74 COC(CCCCCCBr)=O AK-29360 [0,1,0,0,0,0|2,0,1]=4 30 B10R0.74 O=C(OC)CCCCCCN AK-61182 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.17 C#CCOC1CCCCO1 AK-40865 [0,0,0,1,0,0|1,0,2]=4 32 B10R1.17 C(CCC)C1CCNCC1 AK-27060 [0,0,0,1,0,0|2,0,0]=3 33 B10R1.17 CCCCN1CCOCC1 AK-47686 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.17 ClCCCN1CCOCC1 AK-36245 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.17 NCCCN1CCNCC1 AK112285 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.17 OCCCN1CCOCC1 AK-48252 [0,0,0,1,0,0|2,0,0]=3 37 B10R1.20 CNC1C(NC)CCCC1 AK-39338 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.20 CNC1C(NC)CCCC1 AK-64638 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.20 CN[C@H]1[C@H](NC)CCCC1 AK-41490 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.20 CN[C@H]1[C@H](NC)CCCC1 AK-64322 [0,0,0,1,0,0|3,0,0]=4 41 B10R1.20 OCC1C(CO)CCCC1 AK342703 [0,0,0,1,0,0|1,0,0]=2 42 B10R1.20 OC[C@@H]1[C@@H](CO)CCCC1 AK134190 [0,0,0,1,0,0|1,0,0]=2 43 B10R1.20 OC[C@H]1[C@H](CO)CCCC1 AK-79086 [0,0,0,1,0,0|1,0,0]=2 44 B10R1.21 ClCCCCC1OCCO1 AK163242 [0,0,0,1,0,0|2,0,0]=3 45 B10R1.85 ClCCN1CCCCCC1 AK-81569 [0,0,0,1,0,0|2,0,0]=3 46 B7R0.1 C(CCCBr)CCBr AK-48407 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.1 C(CCCCC#C)O AK-30082 [2,0,0,0,0,0|0,0,2]=4 48 B7R0.1 ICCCCCCI AK165087 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.1 NCCCCCCN AK129024 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.1 NCCCNCCO AK-50569 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.1 OCCCCCCBr AK110830 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.1 OCCCCCCCl AK-47999 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.1 OCCCCCCN AK-84482 [2,0,0,0,0,0|1,0,0]=3 54 B9R0.2 CCCCCCCB(O)O AK145619 [1,1,0,0,0,0|1,0,0]=3 55 B9R0.2 O=C(O)CCCCCCN AK-47536 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.2 OC(=O)CCCCCCBr AK-28585 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.2 OCCCCCCC(O)=O AK-29232 [1,1,0,0,0,0|1,0,1]=4 58 B9R0.46 CCC(C)CCCCCO AK-82137 [1,1,0,0,0,0|0,0,0]=2 59 B9R0.46 CCCCCCC(C)CO AK158822 [1,1,0,0,0,0|0,0,0]=2 60 B11R0.4 CCOC(=O)CCCCCCBr AK-68411 [0,2,0,0,0,0|1,0,1]=4 61 B11R0.4 O=C(OCC)CCCCCCN AK-41611 [0,2,0,0,0,0|1,0,1]=4 62 B11R0.42 CCCCCCC[C@H](N)C(O)=O AK-58077 [0,2,0,0,0,0|0,0,1]=3 63 B11R0.46 CCCCCC(C)CCC(O)=O AK112837 [0,2,0,0,0,0|0,0,1]=3 64 B11R0.46 O=C(O)CCN(C)CCCCC AK-35893 [0,2,0,0,0,0|1,0,1]=4 65 B11R0.148 OC(=O)CCCCCCCCBr AK-49777 [0,2,0,0,0,0|0,0,1]=3 66 B11R0.148 OCCCCCCCCC(O)=O AK-77678 [0,2,0,0,0,0|0,0,1]=3 67 B11R0.159 CCCCCCCCP(O)(O)=O AK-48059 [0,2,0,0,0,0|1,0,0]=3 68 B11R0.159 CCCCCCCCS(=O)([O-])=O AK-86035 [0,2,0,0,0,0|1,0,1]=4 69 B11R0.3 ClCCCCCCCCCCCl AK116580 [0,2,0,0,0,0|1,0,0]=3 70 B11R0.3 OCCCCCCCCCCBr AK-35534 [0,2,0,0,0,0|0,0,0]=2 71 B9R1.8 BrCCN1CCCCC1 AK110576 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.8 C(CN1CCNCC1)O AK-47366 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.8 C1CCN[C@H](C1)CCO AK-39809 [1,0,0,1,0,0|1,0,0]=3 74 B9R1.8 CCCC1CCNCC1 AK135014 [1,0,0,1,0,0|1,0,0]=3 75 B9R1.8 CCC[C@@H]1NCCCC1 AK608023 [1,0,0,1,0,0|1,0,0]=3 76 B9R1.8 CCNC1CCOCC1 AK-49563 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.8 COCC1CCNCC1 AK-39216 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.8 COCC1CNCCO1 AK119603 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.8 COCC1NCCCC1 AK153936 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.8 COC[C@@H]1CNCCO1 AK108372 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.8 COC[C@H]1CNCCO1 AK108397 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.8 N#CCC1CCCCC1 AK144830 [1,0,0,1,0,0|1,0,1]=4 83 B9R1.8 NCCC1CCCCC1 AK-25118 [1,0,0,1,0,0|1,0,0]=3 84 B9R1.8 NCCC1CCOCC1 AK-84660 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.8 NCCN1CCCCC1 AK-45168 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.8 NCCN1CCCCC1 AK-93384 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.8 OCCC1NCCNC1 AK-45810 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.8 OCCN1CCOCC1 AK-72501 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.8 OCC[C@@H]1NCCCC1 AK-97234 [1,0,0,1,0,0|1,0,0]=3 90 B9R1.8 OCC[C@@H]1NCCCC1 AK164123 [1,0,0,1,0,0|1,0,0]=3 91 B9R1.8 OCC[C@@H]1NCCNC1 AK102263 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.8 OCC[C@H]1NCCCC1 AK-41773 [1,0,0,1,0,0|1,0,0]=3 93 B9R1.8 OCC[C@H]1NCCNC1 AK102262 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.12 BrCCCN1CCCC1 AK140161 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.12 ClCCCC1OCCO1 AK-60697 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.12 ClCCCN1CCCC1 AK-35019 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.12 NCCCN1CCCC1 AK-73082 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.12 OCCCN1CCCC1 AK-87069 [1,0,0,1,0,0|1,0,0]=3 99 B9R1.14 CCN1[C@H](CN)CCC1 AK-34220 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.15 C(C1N(CCCC1)C)O AK-34053 [1,0,0,1,0,0|1,0,0]=3 101 B9R1.15 NCC1N(C)CCCC1 AK150786 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.15 OC1C(CO)CNCC1 AK151180 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.33 CN1C(CCN)CCC1 AK-32183 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.33 OCCC1N(C)CCC1 AK-32182 [1,0,0,1,0,0|1,0,0]=3 105 B9R1.50 O=C1CCCCCCC1 AK-96432 [1,0,0,1,0,0|0,0,2]=4 106 B9R1.50 OC1CC\C=C/CCC1 AK-79871 [1,0,0,1,0,0|0,0,2]=4 107 B9R1.89 NCC1CCCCCC1 AK110620 [1,0,0,1,0,0|1,0,0]=3 108 B11R1.4 NCCCCCN1CCCC1 AK159191 [0,1,0,1,0,0|1,0,0]=3 109 B11R1.30 O=C(OCC)CC1OCCC1 AK154820 [0,1,0,1,0,0|1,0,1]=4 110 B11R1.199 O=C([C@H]1[C@@H](O)CCC1)OCC AK306178 [0,1,0,1,0,0|1,0,1]=4 111 B11R1.27 O=C1OC(CCCCC)CC1 AK551064 [0,1,0,1,0,0|0,0,1]=3 112 B11R1.91 O=C(O)CCC1CCCCC1 AK116675 [0,1,0,1,0,0|0,0,1]=3 113 B11R1.91 O=C(O)CCN1CCCCC1 AK-34442 [0,1,0,1,0,0|1,0,1]=4 114 B11R1.193 OCCN1C(C(C)C)OCC1 AK342733 [0,1,0,1,0,0|2,0,0]=4 115 B11R1.28 BrCCCOC1CCCCO1 AK116232 [0,1,0,1,0,0|1,0,0]=3 116 B11R1.28 OCCCCC1CCNCC1 AK-83612 [0,1,0,1,0,0|0,0,0]=2 117 B11R1.1 OC1CCN(CCCCl)CC1 AK126720 [0,1,0,1,0,0|2,0,0]=4 118 B11R1.1 OCCCC1CCN(C)CC1 AK135455 [0,1,0,1,0,0|1,0,0]=3 119 B11R1.1 OCCCN1CCN(C)CC1 AK-81673 [0,1,0,1,0,0|2,0,0]=4 120 B11R1.40 OC[C@@H](N)CC1CCCCC1 AK-57591 [0,1,0,1,0,0|0,0,0]=2 121 B11R2.20 C1CCC2NCCCC2C1 AK-51658 [0,0,0,2,0,0|1,0,0]=3 122 B11R2.20 N12CCCCC1CNCC2 AK-23528 [0,0,0,2,0,0|2,0,0]=4 123 B11R2.1261 C1COC2(CCCNC2)O1 AK-39561 [0,0,0,2,0,0|2,0,0]=4 124 B11R2.1261 C1NCCC12OCCCC2 AK130850 [0,0,0,2,0,0|1,0,0]=3 125 B11R2.1261 C1NCCC12OCCCC2 AK486918 [0,0,0,2,0,0|1,0,0]=3 126 B11R2.1261 O1C2(CCC1)CCNCC2 AK-27968 [0,0,0,2,0,0|1,0,0]=3 127 B11R2.1261 O1CCOC12CCNCC2 AK-48248 [0,0,0,2,0,0|2,0,0]=4