0 B9R0.2 C=CCCCCCC(O)=O AK164507 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.2 CCCCCCCB(O)O AK145619 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.2 O=C(O)CCCCCCN AK-47536 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.2 OC(=O)CCCCCCBr AK-28585 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.2 OCCCCCCC(O)=O AK-29232 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.4 BrCCCCCCCBr AK109234 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.4 C(CCCCO)CCBr AK-41195 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.4 C=CCCCCCCCl AK164503 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.4 OCCCCCCC#C AK-48557 [1,0,0,0,0,0|0,0,2]=3 9 B8R0.4 OCCCCCCCO AK-44723 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.4 OCCCNCCCO AK-33226 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.7 CC(O)CCCCCC AK113715 [1,0,0,0,0,0|0,0,0]=1 12 B8R0.7 C[C@@H](O)CCCCCC AK115983 [1,0,0,0,0,0|0,0,0]=1 13 B8R0.7 O=C(O)CCCCCBr AK-35122 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 O=C(O)CCCCCN AK144762 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.7 O=C(O)CCCCCO AK-41893 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.7 OC(=O)CCCCCCl AK-48239 [1,0,0,0,0,0|2,0,1]=4 17 B10R0.4 CCCCCCCCB(O)O AK-84208 [0,1,0,0,0,0|2,0,0]=3 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 B10R0.22 CCCCCCCS(=O)([O-])=O AK-86033 [0,1,0,0,0,0|2,0,1]=4 21 B10R0.22 CS(=O)(OCCCCCC)=O AK160846 [0,1,0,0,0,0|2,0,1]=4 22 B10R0.74 CCCCCCCC(NN)=O AK117029 [0,1,0,0,0,0|1,0,2]=4 23 B10R0.74 CCCCCCCC(NO)=O AK-43792 [0,1,0,0,0,0|1,0,1]=3 24 B10R0.74 COC(CCCCCCBr)=O AK-29360 [0,1,0,0,0,0|1,0,2]=4 25 B10R0.74 O=C(OC)CCCCCCN AK-61182 [0,1,0,0,0,0|1,0,2]=4 26 B10R0.75 CCCCCCC(N)C(O)=O AK-87750 [0,1,0,0,0,0|1,0,1]=3 27 B10R0.75 CCCCCC[C@H](N)C(O)=O AK-87751 [0,1,0,0,0,0|1,0,1]=3 28 B10R0.78 CCCCC(C)CCC(O)=O AK164469 [0,1,0,0,0,0|1,0,1]=3 29 B10R1.10 O=C1CC(CCC)NCC1 AK129486 [0,0,0,1,0,0|1,0,2]=4 30 B10R1.18 CC(N)CC1CCCCC1 AK-51120 [0,0,0,1,0,0|1,0,0]=2 31 B10R1.18 N1CCCC(C1)CC(=O)O AK-39922 [0,0,0,1,0,0|2,0,1]=4 32 B10R1.18 O=C(O)CC1CCCCC1 AK-41373 [0,0,0,1,0,0|1,0,1]=3 33 B10R1.18 O=C(O)CC1CCNCC1 AK-35393 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.18 O=C(O)CC1CCOCC1 AK-44841 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.18 OB(CC1CCCCC1)O AK-85394 [0,0,0,1,0,0|2,0,0]=3 36 B10R1.61 N[C@@H]1[C@@H](N(C)C)CCCC1 AK115708 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.61 N[C@H]1[C@H](N(C)C)CCCC1 AK112752 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.61 O=C(C1C(C)NCCC1)O AK155118 [0,0,0,1,0,0|2,0,1]=4 39 B10R1.61 O=C(C1N(C)CCCC1)O AK-34361 [0,0,0,1,0,0|2,0,1]=4 40 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK-80986 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK210035 [0,0,0,1,0,0|2,0,1]=4 42 B10R1.61 O=C([C@H]1N(C)CCCC1)O AK151825 [0,0,0,1,0,0|2,0,1]=4 43 B10R1.61 OC1CCCCC1C(=O)O AK-35836 [0,0,0,1,0,0|2,0,1]=4 44 B10R1.66 O=C(O)CCC1CCCC1 AK-45246 [0,0,0,1,0,0|1,0,1]=3 45 B10R1.66 O=C(O)CCN1CCCC1 AK118044 [0,0,0,1,0,0|2,0,1]=4 46 B10R1.348 O=C(C1CCCCCC1)N AK173577 [0,0,0,1,0,0|1,0,2]=4 47 B10R1.348 O=C(O)C1CCCCCC1 AK-25427 [0,0,0,1,0,0|1,0,1]=3 48 B7R0.1 C(CCCBr)CCBr AK-48407 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.1 C(CCCCC#C)O AK-30082 [2,0,0,0,0,0|0,0,2]=4 50 B7R0.1 ICCCCCCI AK165087 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.1 NCCCCCCN AK129024 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.1 NCCCNCCO AK-50569 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.1 OCCCCCCBr AK110830 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.1 OCCCCCCCl AK-47999 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.1 OCCCCCCN AK-84482 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.4 CC(O)CNCCO AK142435 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.4 CCCCCB(O)O AK-46118 [2,0,0,0,0,0|2,0,0]=4 58 B9R0.45 BrCCCCCCCCBr AK-48263 [1,1,0,0,0,0|1,0,0]=3 59 B9R0.45 C#CCCCCCCCO AK117239 [1,1,0,0,0,0|0,0,1]=3 60 B9R0.45 C=CCCCCCCCBr AK161876 [1,1,0,0,0,0|0,0,2]=4 61 B9R0.45 C=CCCCCCCCCl AK164575 [1,1,0,0,0,0|0,0,2]=4 62 B9R0.45 CCCCCCCCCBr AK164444 [1,1,0,0,0,0|0,0,0]=2 63 B9R0.45 ClCCOCCOCCO AK113441 [1,1,0,0,0,0|2,0,0]=4 64 B9R0.45 NCCOCCOCCO AK105247 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.45 OCCCCCCCCBr AK113930 [1,1,0,0,0,0|0,0,0]=2 66 B9R0.45 OCCOCCOCCO AK-72565 [1,1,0,0,0,0|2,0,0]=4 67 B9R0.46 CCC(C)CCCCCO AK-82137 [1,1,0,0,0,0|0,0,0]=2 68 B9R0.46 CCCCCCC(C)CO AK158822 [1,1,0,0,0,0|0,0,0]=2 69 B9R0.47 CCCCCC(N)C(O)=O AK-87757 [1,1,0,0,0,0|1,0,1]=4 70 B9R0.47 CCCCC[C@@H](N)C(O)=O AK106125 [1,1,0,0,0,0|1,0,1]=4 71 B9R0.47 CCCCC[C@H](N)C(O)=O AK106126 [1,1,0,0,0,0|1,0,1]=4 72 B11R0.42 CCCCCCCC(=O)N(C)C AK-87625 [0,2,0,0,0,0|0,0,2]=4 73 B11R0.42 CCCCCCC[C@H](N)C(O)=O AK-58077 [0,2,0,0,0,0|1,0,0]=3 74 B11R0.46 CCCCCC(C)CCC(O)=O AK112837 [0,2,0,0,0,0|1,0,1]=4 75 B11R0.46 O=C(O)CCN(C)CCCCC AK-35893 [0,2,0,0,0,0|1,0,1]=4 76 B11R0.148 OC(=O)CCCCCCCCBr AK-49777 [0,2,0,0,0,0|1,0,1]=4 77 B11R0.148 OCCCCCCCCC(O)=O AK-77678 [0,2,0,0,0,0|1,0,1]=4 78 B11R0.159 CCCCCCCCP(O)(O)=O AK-48059 [0,2,0,0,0,0|2,0,0]=4 79 B11R0.31 CC(C)(C)CCCCCC(O)=O AK116933 [0,2,0,0,0,0|1,0,1]=4 80 B11R0.164 CCCCC(CC)CCC(O)=O AK-60980 [0,2,0,0,0,0|1,0,1]=4 81 B9R1.8 BrCCN1CCCCC1 AK110576 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.8 C(CN1CCNCC1)O AK-47366 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.8 C1CCN[C@H](C1)CCO AK-39809 [1,0,0,1,0,0|1,0,0]=3 84 B9R1.8 CCCC1CCNCC1 AK135014 [1,0,0,1,0,0|1,0,0]=3 85 B9R1.8 CCC[C@@H]1NCCCC1 AK608023 [1,0,0,1,0,0|1,0,0]=3 86 B9R1.8 CCNC1CCOCC1 AK-49563 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.8 COCC1CCNCC1 AK-39216 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.8 COCC1CNCCO1 AK119603 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.8 COCC1NCCCC1 AK153936 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.8 COC[C@@H]1CNCCO1 AK108372 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.8 COC[C@H]1CNCCO1 AK108397 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.8 N#CCC1CCCCC1 AK144830 [1,0,0,1,0,0|1,0,1]=4 93 B9R1.8 NCCC1CCCCC1 AK-25118 [1,0,0,1,0,0|1,0,0]=3 94 B9R1.8 NCCC1CCOCC1 AK-84660 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.8 NCCN1CCCCC1 AK-45168 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.8 NCCN1CCCCC1 AK-93384 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.8 OCCC1NCCNC1 AK-45810 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.8 OCCN1CCOCC1 AK-72501 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.8 OCC[C@@H]1NCCCC1 AK-97234 [1,0,0,1,0,0|1,0,0]=3 100 B9R1.8 OCC[C@@H]1NCCCC1 AK164123 [1,0,0,1,0,0|1,0,0]=3 101 B9R1.8 OCC[C@@H]1NCCNC1 AK102263 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.8 OCC[C@H]1NCCCC1 AK-41773 [1,0,0,1,0,0|1,0,0]=3 103 B9R1.8 OCC[C@H]1NCCNC1 AK102262 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.12 BrCCCN1CCCC1 AK140161 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.12 ClCCCC1OCCO1 AK-60697 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.12 ClCCCN1CCCC1 AK-35019 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.12 NCCCN1CCCC1 AK-73082 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.12 OCCCN1CCCC1 AK-87069 [1,0,0,1,0,0|1,0,0]=3 109 B9R1.14 CCN1[C@H](CN)CCC1 AK-34220 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.15 C(C1N(CCCC1)C)O AK-34053 [1,0,0,1,0,0|1,0,0]=3 111 B9R1.15 NCC1N(C)CCCC1 AK150786 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.15 OC1C(CO)CNCC1 AK151180 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.33 CN1C(CCN)CCC1 AK-32183 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.33 OCCC1N(C)CCC1 AK-32182 [1,0,0,1,0,0|1,0,0]=3 115 B9R1.50 O=C1CCCCCCC1 AK-96432 [1,0,0,1,0,0|0,0,2]=4 116 B9R1.50 OC1CC\C=C/CCC1 AK-79871 [1,0,0,1,0,0|0,0,2]=4 117 B9R1.89 NCC1CCCCCC1 AK110620 [1,0,0,1,0,0|1,0,0]=3 118 B9R1.6 CC(C1CCCCC1)=O AK110444 [1,0,0,1,0,0|0,0,2]=4 119 B9R1.6 CC(O)C1CCOCC1 AK600722 [1,0,0,1,0,0|1,0,0]=3 120 B9R1.6 O=C(C1CCCCC1)O AK-73017 [1,0,0,1,0,0|1,0,1]=4 121 B9R1.6 OB(O)C1CCCCC1 AK-44451 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.7 O[C@H]1CN(CCN)CC1 AK-36066 [1,0,0,1,0,0|2,0,0]=4 123 B9R1.13 O=C(O)CC1CCCC1 AK-44360 [1,0,0,1,0,0|1,0,1]=4 124 B11R1.166 O[C@H]1[C@H](C(C)C)CC[C@@H](C)C1 AK158890 [0,1,0,1,0,0|2,0,0]=4 125 B11R1.27 O=C1OC(CCCCC)CC1 AK551064 [0,1,0,1,0,0|1,0,1]=4 126 B11R1.91 O=C(O)CCC1CCCCC1 AK116675 [0,1,0,1,0,0|1,0,1]=4 127 B11R1.91 O=C(O)CCN1CCCCC1 AK-34442 [0,1,0,1,0,0|1,0,1]=4 128 B11R1.77 O=C(O)C[C@H](N)C1CCCC1 AK143297 [0,1,0,1,0,0|1,0,1]=4 129 B11R1.928 O=C(O)CC1(N)CCCCC1 AK-39323 [0,1,0,1,0,0|1,0,1]=4 130 B11R1.20 N[C@H]1CC[C@H](CC(O)=O)CC1 AK110004 [0,1,0,1,0,0|1,0,1]=4 131 B11R1.20 O=C(O)CC1CCC(O)CC1 AK141945 [0,1,0,1,0,0|1,0,1]=4 132 B11R1.1 OC1CCN(CCCCl)CC1 AK126720 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.40 OC[C@@H](N)CC1CCCCC1 AK-57591 [0,1,0,1,0,0|1,0,0]=3 134 B11R1.35 O=C(O)[C@@H](N)CC1CCCC1 AK-93387 [0,1,0,1,0,0|1,0,1]=4 135 B11R1.36 CC(C1CCCCC1)C(O)=O AK125718 [0,1,0,1,0,0|1,0,1]=4 136 B11R1.36 O=C(O)C(N)C1CCCCC1 AK-42709 [0,1,0,1,0,0|1,0,1]=4 137 B11R1.36 O=C(O)[C@@H](N)C1CCCCC1 AK-46700 [0,1,0,1,0,0|1,0,1]=4 138 B11R1.36 O=C(O)[C@@H](N)C1CCCCC1 AK162697 [0,1,0,1,0,0|1,0,1]=4 139 B11R1.36 O=C(O)[C@H](N)C1CCCCC1 AK-76429 [0,1,0,1,0,0|1,0,1]=4 140 B11R1.36 [C@@H](N)(C1CCCCC1)C(O)=O AK-87852 [0,1,0,1,0,0|1,0,1]=4 141 B11R2.432 CN1C2CC(O)CC1CC2 AK-39927 [0,0,0,2,0,0|1,0,0]=3 142 B11R2.432 O[C@@H]1C[C@@H]2N(C)[C@@H](CC2)C1 AK-94001 [0,0,0,2,0,0|1,0,0]=3