0 B8R0.4 BrCCCCCCCBr AK109234 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.4 C(CCCCO)CCBr AK-41195 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.4 C=CCCCCCCCl AK164503 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.4 OCCCCCCC#C AK-48557 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.4 OCCCCCCCO AK-44723 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.1 BrCCCCCC#N AK-81731 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.1 C(CCCBr)CCBr AK-48407 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.1 C(CCCCC#C)O AK-30082 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.1 C=CCCCCCBr AK-40908 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.1 C=CCCCCNC AK142907 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.1 COCCOCCN AK-67670 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.1 ICCCCCCI AK165087 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.1 NCCCCCCN AK129024 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.1 OCCCCCCBr AK110830 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.1 OCCCCCCCl AK-47999 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.1 OCCCCCCN AK-84482 [1,0,0,0,0,0|1,0,2]=4 17 B9R0.2 C=CCCCCCC(O)=O AK164507 [0,1,0,0,0,0|1,0,2]=4 18 B9R0.2 CCCCCCCB(O)O AK145619 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.2 O=C(O)CCCCCCN AK-47536 [0,1,0,0,0,0|2,0,0]=3 20 B9R0.2 OC(=O)CCCCCCBr AK-28585 [0,1,0,0,0,0|2,0,0]=3 21 B9R0.2 OCCCCCCC(O)=O AK-29232 [0,1,0,0,0,0|2,0,0]=3 22 B9R0.45 BrCCCCCCCCBr AK-48263 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.45 C#CCCCCCCCO AK117239 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.45 C=CCCCCCCCBr AK161876 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.45 C=CCCCCCCCCl AK164575 [0,1,0,0,0,0|2,0,0]=3 26 B9R0.45 CCCCCCCCCBr AK164444 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.45 OCCCCCCCCBr AK113930 [0,1,0,0,0,0|1,0,2]=4 28 B9R0.46 CCC(C)CCCCCO AK-82137 [0,1,0,0,0,0|1,0,2]=4 29 B9R0.46 CCCCCCC(C)CO AK158822 [0,1,0,0,0,0|1,0,2]=4 30 B9R1.5 CN1CCNCCC1=O AK-63341 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.5 CN1CCNCCC1=O AK-77181 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.5 O=C1N(C)CCCNC1 AK-81379 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.5 O=C1NCCCCC1N AK-77858 [0,0,0,1,0,0|2,0,0]=3 35 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.8 CCCC1CCNCC1 AK135014 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.8 CCC[C@@H]1NCCCC1 AK608023 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.8 CCNC1CCOCC1 AK-49563 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.8 N#CCC1CCCCC1 AK144830 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.8 NCCC1CCCCC1 AK-25118 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.8 NCCC1CCOCC1 AK-84660 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.33 O=C1NCCN1CCN AK164166 [0,0,0,1,0,0|3,0,0]=4 45 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,0,0,1,0,0|1,0,0]=2 46 B9R1.50 O=C1NCCCCCC1 AK-84407 [0,0,0,1,0,0|1,0,0]=2 47 B9R1.89 NCC1CCCCCC1 AK110620 [0,0,0,1,0,0|2,0,1]=4 48 B6R0.6 BrCCCCCBr AK134932 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.6 C(CCO)CCBr AK-72934 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.6 C=CCCCCBr AK-48086 [2,0,0,0,0,0|1,0,1]=4 51 B6R0.6 CCCNCCO AK-60790 [2,0,0,0,0,0|1,0,0]=3 52 B6R0.6 C\C=C\CCCO AK-46431 [2,0,0,0,0,0|0,0,2]=4 53 B6R0.6 ClCCCCC=O AK110863 [2,0,0,0,0,0|1,0,0]=3 54 B6R0.6 ClCCOCCO AK114565 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.6 FCCCCCBr AK-48229 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.6 O=CCCCCO AK-40206 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.6 OCCCCNC AK112657 [2,0,0,0,0,0|1,0,0]=3 58 B8R0.6 C=CC(CCCCC)=O AK164478 [1,1,0,0,0,0|1,0,1]=4 59 B8R0.6 C=CC(O)CCCCC AK164470 [1,1,0,0,0,0|1,0,0]=3 60 B8R0.7 C#CCCCCC(O)=O AK-40047 [1,1,0,0,0,0|0,0,2]=4 61 B8R0.7 CC(O)CCCCCC AK113715 [1,1,0,0,0,0|0,0,2]=4 62 B8R0.7 C[C@@H](O)CCCCCC AK115983 [1,1,0,0,0,0|0,0,2]=4 63 B8R0.7 O=C(O)CCCCCBr AK-35122 [1,1,0,0,0,0|1,0,0]=3 64 B8R0.7 O=C(O)CCCCCN AK144762 [1,1,0,0,0,0|1,0,0]=3 65 B8R0.7 O=C(O)CCCCCO AK-41893 [1,1,0,0,0,0|1,0,0]=3 66 B8R0.7 O=C(O)COCCOC AK-33517 [1,1,0,0,0,0|2,0,0]=4 67 B8R0.7 O=C([O-])CCCCCO AK142914 [1,1,0,0,0,0|1,0,0]=3 68 B8R0.7 O=C([O-])CCNCCN AK545212 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.7 OC(=O)CCCCCCl AK-48239 [1,1,0,0,0,0|1,0,0]=3 70 B10R0.4 O=C(O)CCCCCCCBr AK-33752 [0,2,0,0,0,0|1,0,0]=3 71 B10R0.4 O=C(O)CCCCCCCN AK-45259 [0,2,0,0,0,0|1,0,0]=3 72 B10R0.4 O=C(O)COCCOCCN AK-33158 [0,2,0,0,0,0|2,0,0]=4 73 B10R0.4 O=C(O)COCCOCCN AK-90200 [0,2,0,0,0,0|2,0,0]=4 74 B10R0.22 CCCCCCCS(=O)([O-])=O AK-86033 [0,2,0,0,0,0|2,0,0]=4 75 B10R0.22 CS(=O)(OCCCCCC)=O AK160846 [0,2,0,0,0,0|1,0,0]=3 76 B10R0.74 CCCCCCCC(NN)=O AK117029 [0,2,0,0,0,0|1,0,0]=3 77 B10R0.74 CCCCCCCC(NO)=O AK-43792 [0,2,0,0,0,0|1,0,0]=3 78 B10R0.74 COC(CCCCCCBr)=O AK-29360 [0,2,0,0,0,0|2,0,0]=4 79 B10R0.74 O=C(OC)CCCCCCN AK-61182 [0,2,0,0,0,0|2,0,0]=4 80 B10R0.75 CCCCCCC(N)C(O)=O AK-87750 [0,2,0,0,0,0|1,0,0]=3 81 B10R0.75 CCCCCC[C@H](N)C(O)=O AK-87751 [0,2,0,0,0,0|1,0,0]=3 82 B10R0.78 CCCCC(C)CCC(O)=O AK164469 [0,2,0,0,0,0|1,0,0]=3 83 B10R0.71 C=CCCCCCCCCBr AK-48406 [0,2,0,0,0,0|2,0,0]=4 84 B8R1.2 BrCC1CCCCC1 AK-34379 [1,0,0,1,0,0|1,0,1]=4 85 B8R1.2 C1C(OCCC1)ON AK-26246 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [1,0,0,1,0,0|1,0,1]=4 87 B8R1.2 CC[C@@H]1NCCOC1 AK-45140 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.2 COC1CCNCC1 AK-86244 [1,0,0,1,0,0|1,0,1]=4 89 B8R1.2 ICC1CCCCC1 AK126313 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.2 N#CC1CCCCC1 AK117259 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.2 NNC1CCCCC1 AK-51695 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.2 O=CN1CCOCC1 AK-47431 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.2 OCC1CCCCC1 AK-47687 [1,0,0,1,0,0|0,0,2]=4 94 B8R1.2 ONC1CCCCC1 AK113259 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.2 ONC1CCCCC1 AK118974 [1,0,0,1,0,0|1,0,1]=4 96 B8R1.5 FC1CCCCC1=O AK-79364 [1,0,0,1,0,0|1,0,0]=3 97 B8R1.5 NC1CCCCC1=O AK110393 [1,0,0,1,0,0|1,0,0]=3 98 B8R1.5 NC1CCCNC1=O AK-32522 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.5 N[C@@H]1[C@H](C)CCCC1 AK167720 [1,0,0,1,0,0|1,0,1]=4 100 B8R1.5 O=C1C(C)CNCC1 AK-35717 [1,0,0,1,0,0|1,0,0]=3 101 B8R1.5 O=C1C(C)CNCC1 AK-44679 [1,0,0,1,0,0|1,0,0]=3 102 B8R1.5 O=C1C(CCCC1)=O AK-46655 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.5 O=C1N(C)CCNC1 AK-38983 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.5 O=C1N(N)CCCC1 AK132922 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.5 O=C1NCCCC1N AK-58866 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.5 O=C1NCCCC1O AK-25552 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.8 COC[C@H]1NCCC1 AK-81364 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.8 NCCC1CCCC1 AK-84118 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.11 O=C1C(C#N)CCC1 AK-44929 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.11 O=C1C(CC)CCC1 AK112291 [1,0,0,1,0,0|0,0,0]=2 113 B8R1.11 O=C1C(CO)CCC1 AK146211 [1,0,0,1,0,0|1,0,0]=3 114 B8R1.11 O=C1N(CC)CCC1 AK106210 [1,0,0,1,0,0|1,0,0]=3 115 B8R1.22 C=C1OCCCCO1 AK154780 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.22 N1CCCC(CC1)=O AK-26041 [1,0,0,1,0,0|1,0,0]=3 117 B8R1.22 O=C1C=CCCCC1 AK-88461 [1,0,0,1,0,0|0,0,2]=4 118 B8R1.22 O=C1CNCCCN1 AK-94980 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.22 O=C1NCCNCC1 AK-25582 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.22 O=C1NCCOCC1 AK158455 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.22 O=C1OCCCCC1 AK164169 [1,0,0,1,0,0|0,0,0]=2 122 B10R1.10 O=C1CC(CCC)NCC1 AK129486 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.18 CC(=O)NC1CCNCC1 AK-51631 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.18 N1CCCC(C1)CC(=O)O AK-39922 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.18 O=C(O)CC1CCCCC1 AK-41373 [0,1,0,1,0,0|1,0,0]=3 126 B10R1.18 O=C(O)CC1CCNCC1 AK-35393 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.18 O=C(O)CC1CCOCC1 AK-44841 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.61 O=C(C1C(C)NCCC1)O AK155118 [0,1,0,1,0,0|2,0,0]=4 129 B10R1.61 O=C(C1N(C)CCCC1)O AK-34361 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK-80986 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK210035 [0,1,0,1,0,0|2,0,0]=4 132 B10R1.61 O=C([C@H]1N(C)CCCC1)O AK151825 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.61 OC1CCCCC1C(=O)O AK-35836 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.66 O=C(O)CCC1CCCC1 AK-45246 [0,1,0,1,0,0|1,0,0]=3 135 B10R1.66 O=C(O)CCN1CCCC1 AK118044 [0,1,0,1,0,0|2,0,0]=4 136 B10R1.348 CC(=O)N1CCCNCC1 AK-24088 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.348 O=C(C1CCCCCC1)N AK173577 [0,1,0,1,0,0|1,0,0]=3 138 B10R1.348 O=C(O)C1CCCCCC1 AK-25427 [0,1,0,1,0,0|1,0,0]=3 139 B10R1.17 CCCCN1CCOCC1 AK-47686 [0,1,0,1,0,0|1,0,1]=4 140 B10R1.149 COC(=O)C1CCOC1=O AK-72749 [0,1,0,1,0,0|1,0,1]=4 141 B10R2.178 O=C1C2CC(CC2)CN1 AK311924 [0,0,0,2,0,0|1,0,0]=3 142 B10R2.62 O=C1C2CCC(CC2)C1 AK144709 [0,0,0,2,0,0|1,0,0]=3 143 B10R2.62 O=C1CN2CCC1CC2 AK-32961 [0,0,0,2,0,0|2,0,0]=4 144 B10R2.190 O=C1NCCC12CCC2 AK203987 [0,0,0,2,0,0|1,0,0]=3