0 B9R1.6 CC(=O)N1CCOCC1 AK-59803 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 CC(C1CCCCC1)=O AK110444 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.6 CC(C1CCNCC1)=O AK-76366 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 CC(C1CCOCC1)=O AK-58675 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 CC(O)C1CCOCC1 AK600722 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.6 CN(C)C1CCNCC1 AK146317 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.6 CN(C1CCNCC1)C AK-35307 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.6 FC(C1CCNCC1)F AK122708 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 N1CCCC[C@H]1C(=O)O AK-51322 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.6 N1CCNC[C@@H]1C(=O)O AK-46417 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 N1CCNC[C@H]1C(=O)O AK-33494 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 O1CCC(CC1)C(=O)O AK-23928 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.6 O=C(C1=CCCCO1)O AK-78816 [0,0,0,0,0,0|1,0,2]=3 13 B9R1.6 O=C(C1CCCCC1)O AK-73017 [0,0,0,0,0,0|0,0,0]=0 14 B9R1.6 O=C(C1CCNCC1)N AK-25908 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.6 O=C(C1CCNCC1)N AK-65946 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.6 O=C(C1CCNCC1)O AK-47605 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.6 O=C(C1CCOCC1)N AK-90382 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.6 O=C(C1CNCCC1)N AK-44355 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.6 O=C(C1CNCCC1)O AK-35333 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.6 O=C(C1CNCCN1)O AK-44180 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.6 O=C(C1COCCC1)O AK-65298 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.6 O=C(C1NCCCC1)N AK-50709 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.6 O=C(C1NCCCC1)O AK-35539 [0,0,0,0,0,0|1,0,0]=1 24 B9R1.6 O=C(C1NCCCC1)O AK126108 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.6 O=C(C1NCCNC1)O AK-34591 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.6 O=C(C1NCCOC1)O AK-53947 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.6 O=C(C1SCCCN1)O AK164034 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.6 O=C(N1CCNCC1)C AK-44435 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.6 O=C(N1CCNCC1)N AK187919 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.6 O=C([C@@H]1CC=CCC1)O AK130960 [0,0,0,0,0,0|0,0,2]=2 31 B9R1.6 O=C([C@@H]1CNCCC1)O AK-37130 [0,0,0,0,0,0|1,0,0]=1 32 B9R1.6 O=C([C@@H]1CNCCO1)O AK142739 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.6 O=C([C@@H]1NCCCC1)O AK-44408 [0,0,0,0,0,0|1,0,0]=1 34 B9R1.6 O=C([C@@H]1NCCOC1)O AK162039 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.6 O=C([C@@H]1OCCOC1)O AK550289 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.6 O=C([C@H]1CC=CCC1)O AK-77496 [0,0,0,0,0,0|0,0,2]=2 37 B9R1.6 O=C([C@H]1CNCCC1)O AK-36729 [0,0,0,0,0,0|1,0,0]=1 38 B9R1.6 O=C([C@H]1CNCCN1)N AK174403 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.6 O=C([C@H]1CNCCO1)O AK143268 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.6 O=C([C@H]1NCCCC1)O AK-44409 [0,0,0,0,0,0|1,0,0]=1 41 B9R1.6 O=C([C@H]1NCCNC1)N AK174402 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.6 O=C([C@H]1NCCOC1)O AK-32781 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.6 O=C([C@H]1NCCOC1)O AK109013 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.6 O=C([C@H]1OCCOC1)O AK167731 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.6 OB(C1=CCCCC1)O AK-36781 [0,0,0,0,0,0|1,0,3]=4 46 B9R1.6 OB(O)C1CCCCC1 AK-44451 [0,0,0,0,0,0|1,0,1]=2 47 B9R1.6 OC(=O)C1=CCCCC1 AK-48425 [0,0,0,0,0,0|0,0,2]=2 48 B9R1.6 OC(=O)C1CCC=CC1 AK-33140 [0,0,0,0,0,0|0,0,2]=2 49 B8R1.2 BrCC1CCCCC1 AK-34379 [1,0,0,0,0,0|1,0,1]=3 50 B8R1.2 BrCC1CCOCC1 AK-33044 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.2 C#CC1CCCNC1 AK-40565 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.2 C(C1CCOCC1)O AK-25438 [1,0,0,0,0,0|1,0,1]=3 53 B8R1.2 C1C(CCOC1)C#N AK-35140 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.2 C1C(OCCC1)ON AK-26246 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.2 CNC1CCCNC1 AK-39351 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.2 CNC1CCNCC1 AK-81357 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.2 CNC1CCOCC1 AK-29001 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.2 COC1CCNCC1 AK-86244 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.2 ClCC1NCCCC1 AK-78057 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.2 ICC1CCCCC1 AK126313 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.2 ICC1CCOCC1 AK-51037 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.2 N#CC1CCCCC1 AK117259 [1,0,0,0,0,0|1,0,1]=3 64 B8R1.2 N#CC1CCNCC1 AK-76369 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.2 N#CC1CNCCC1 AK-84454 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [1,0,0,0,0,0|1,0,1]=3 67 B8R1.2 NCC1CCOCC1 AK-33095 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.2 NNC1CCCCC1 AK-51695 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 NNC1CCOCC1 AK-40761 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.2 O=CN1CCOCC1 AK-47431 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.2 OCC1CCC=CC1 AK-63968 [1,0,0,0,0,0|0,0,3]=4 72 B8R1.2 OCC1CCCCC1 AK-47687 [1,0,0,0,0,0|0,0,1]=2 73 B8R1.2 OCC1CNCCC1 AK-26981 [1,0,0,0,0,0|1,0,1]=3 74 B8R1.2 OCC1CNCCO1 AK-30231 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.2 OCC1NCCCC1 AK-47618 [1,0,0,0,0,0|1,0,1]=3 76 B8R1.2 OCC1NCCNC1 AK-42128 [1,0,0,0,0,0|2,0,1]=4 77 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [1,0,0,0,0,0|1,0,1]=3 78 B8R1.2 OC[C@@H]1CNCCO1 AK-37105 [1,0,0,0,0,0|2,0,1]=4 79 B8R1.2 OC[C@@H]1COCCN1 AK-54783 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [1,0,0,0,0,0|1,0,1]=3 81 B8R1.2 OC[C@@H]1NCCNC1 AK-42146 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.2 OC[C@@H]1NCCOC1 AK-51349 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.2 OC[C@@H]1OCCOC1 AK157556 [1,0,0,0,0,0|2,0,1]=4 84 B8R1.2 OC[C@H]1CNCCO1 AK-28829 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.2 OC[C@H]1COCCN1 AK-59902 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [1,0,0,0,0,0|1,0,1]=3 87 B8R1.2 ONC1CCCCC1 AK113259 [1,0,0,0,0,0|1,0,0]=2 88 B8R1.2 ONC1CCCCC1 AK118974 [1,0,0,0,0,0|1,0,0]=2 89 B10R1.13 CC(=O)N1CCC(=O)CC1 AK-34678 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.13 CC(N1CCC(N)CC1)=O AK109930 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.13 CC1=CCC(C(C)=O)CC1 AK-49974 [0,1,0,0,0,0|1,0,2]=4 92 B10R1.13 CN1CCC(CC1)C(N)=O AK101095 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.13 CN1CCC(CC1)C(O)=O AK-48466 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.13 CN1CCN(C(C)=O)CC1 AK-26172 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.13 C[C@H]1CC[C@@H](CC1)C(O)=O AK-45247 [0,1,0,0,0,0|0,0,0]=1 96 B10R1.13 NC(=O)C1CCC(=O)CC1 AK-89999 [0,1,0,0,0,0|1,0,1]=3 97 B10R1.13 NC1CCC(N(C)C)CC1 AK125041 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.13 N[C@H]1CC[C@@H](CC1)C(O)=O AK-29230 [0,1,0,0,0,0|0,0,0]=1 99 B10R1.13 N[C@H]1CC[C@H](CC1)C(O)=O AK-41665 [0,1,0,0,0,0|0,0,0]=1 100 B10R1.13 N[C@H]1CC[C@H](N(C)C)CC1 AK151296 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.13 O=C(C1CCC(C)CC1)O AK164489 [0,1,0,0,0,0|0,0,0]=1 102 B10R1.13 O=C(C1CCC(CC1)=O)O AK107691 [0,1,0,0,0,0|0,0,1]=2 103 B10R1.13 O=C(C1CCN(C)CC1)O AK-47579 [0,1,0,0,0,0|1,0,0]=2 104 B10R1.13 O=C([C@@H]1CNC(CN1)=O)O AK160412 [0,1,0,0,0,0|2,0,1]=4 105 B10R1.13 O=C([C@H]1CC[C@@H](O)CC1)O AK-64579 [0,1,0,0,0,0|0,0,0]=1 106 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O AK-40159 [0,1,0,0,0,0|0,0,0]=1 107 B10R1.13 O=C([C@H]1CC[C@H](O)CC1)O AK116045 [0,1,0,0,0,0|0,0,0]=1 108 B10R1.13 O=C([C@H]1NC[C@@H](O)CC1)O AK172058 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.13 O=C([C@H]1NC[C@@H](O)CC1)O AK172374 [0,1,0,0,0,0|1,0,0]=2 110 B10R1.13 OC1CCC(CC1)C(O)=O AK-64210 [0,1,0,0,0,0|0,0,0]=1 111 B10R1.13 OC1CCC(N(C)C)CC1 AK-88443 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.15 CC[C@@H](C1CCCCC1)N AK544253 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.15 COC(=O)C1=CCCCC1 AK-89355 [0,1,0,0,0,0|0,0,2]=3 114 B10R1.15 COC(=O)C1=CCOCC1 AK-32760 [0,1,0,0,0,0|1,0,2]=4 115 B10R1.15 COC(=O)C1CCCCN1 AK-75909 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.15 COC(=O)C1CCCCO1 AK-82436 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.15 COC(=O)C1COCCN1 AK-95491 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.15 COC(=O)[C@H]1CCCCN1 AK-44845 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.15 COC(C1CCCNC1)=O AK-27698 [0,1,0,0,0,0|1,0,0]=2 120 B10R1.15 ClCC(N1CCCCC1)=O AK115226 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.15 N1CCC(CC1)C(=O)OC AK-50719 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.15 N1CCCC[C@@H]1C(=O)OC AK-29738 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.15 NCC(N1CCCCC1)=O AK389192 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.15 N[C@@H](C1CCCCC1)CO AK103603 [0,1,0,0,0,0|1,0,1]=3 125 B10R1.15 O=C(C1CCNCC1)NC AK130215 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.15 O=C(C1CCNCC1)OC AK116971 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.15 O=C(C1CCOCC1)OC AK-41265 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.15 O=C(C1CNCCC1)OC AK-86479 [0,1,0,0,0,0|1,0,0]=2 129 B10R1.15 O=C(C1CNCCO1)OC AK-50377 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.15 O=C(C1CNCCO1)OC AK-64898 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.15 O=C(C1NCCCC1)OC AK-41701 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.15 O=C(C1NCCNC1)OC AK-44504 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.15 O=C(N1CCNCC1)OC AK-80030 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.15 O=C(N1CCOCC1)CCl AK-51538 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.15 O=C(N1CCOCC1)CO AK340603 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.15 O=C([C@@H]1CNCCC1)OC AK-65136 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.15 O=C([C@@H]1CNCCO1)OC AK143336 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.15 O=C([C@H]1CNCCC1)NC AK203541 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.15 O=C([C@H]1NCCOC1)OC AK-64358 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.15 O=C([C@H]1NCCOC1)OC AK-94006 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.15 O=[C@]([C@H]1NCCCC1)OC AK-33856 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.28 CC(O)(C1CCNCC1)C AK-82349 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.28 CS(=O)(=O)C1CCNCC1 AK-51140 [0,1,0,0,0,0|2,0,1]=4 144 B10R1.28 O=S(C1CCCCC1)(N)=O AK198665 [0,1,0,0,0,0|1,0,1]=3 145 B10R1.61 N[C@@H]1[C@@H](N(C)C)CCCC1 AK115708 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.61 N[C@H]1[C@H](N(C)C)CCCC1 AK112752 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.61 O=C(C1C(C)NCCC1)O AK155118 [0,1,0,0,0,0|1,0,0]=2 148 B10R1.61 O=C(C1N(C)CCCC1)O AK-34361 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK-80986 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK210035 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.61 O=C([C@H]1N(C)CCCC1)O AK151825 [0,1,0,0,0,0|1,0,0]=2 152 B10R1.61 O=C([C@H]1NCCO[C@@H]1C)O AK157073 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.61 OC1CCCCC1C(=O)O AK-35836 [0,1,0,0,0,0|0,0,0]=1 154 B10R1.113 CN1CCCC(C1)C(O)=O AK-96687 [0,1,0,0,0,0|1,0,0]=2 155 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AK-40828 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.113 N[C@H]1CCC[C@H](C1)C(O)=O AK-59924 [0,1,0,0,0,0|0,0,0]=1 157 B10R1.113 O=C(C1CC(NCC1)=O)O AK-51685 [0,1,0,0,0,0|1,0,1]=3 158 B10R1.113 O=C(C1NC(C)CCC1)O AK-50292 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.113 O=C([C@@H]1C[C@H](N)CCC1)O AK171951 [0,1,0,0,0,0|0,0,0]=1 160 B10R1.113 O=C([C@@H]1NCC[C@@H](O)C1)O AK552057 [0,1,0,0,0,0|1,0,0]=2 161 B10R1.113 O=C([C@H]1C[C@@H](N)CCC1)O AK171952 [0,1,0,0,0,0|0,0,0]=1 162 B10R1.113 O=C1N[C@H]([C@@](O)=O)CCC1 AK-44820 [0,1,0,0,0,0|1,0,1]=3 163 B10R1.113 OC(=O)C1CCCC(=O)C1 AK-64002 [0,1,0,0,0,0|0,0,1]=2 164 B10R1.363 CC1(CCOCC1)C(O)=O AK-64987 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.363 O=C(C1(C)CCNCC1)O AK-83641 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.363 O=C(C1(N)CCOCC1)O AK-43291 [0,1,0,0,0,0|1,0,0]=2 167 B8R0.7 C#CCCCCC(O)=O AK-40047 [0,0,1,0,0,0|0,0,2]=3 168 B8R0.7 CC(O)CCCCCC AK113715 [0,0,1,0,0,0|1,0,1]=3 169 B8R0.7 C[C@@H](O)CCCCCC AK115983 [0,0,1,0,0,0|1,0,1]=3 170 B8R0.7 O=C(O)CCCCCBr AK-35122 [0,0,1,0,0,0|1,0,0]=2 171 B8R0.7 O=C(O)CCCCCN AK144762 [0,0,1,0,0,0|1,0,0]=2 172 B8R0.7 O=C(O)CCCCCO AK-41893 [0,0,1,0,0,0|1,0,0]=2 173 B8R0.7 O=C(O)COCCOC AK-33517 [0,0,1,0,0,0|2,0,0]=3 174 B8R0.7 O=C([O-])CCCCCO AK142914 [0,0,1,0,0,0|1,0,1]=3 175 B8R0.7 O=C([O-])CCNCCN AK545212 [0,0,1,0,0,0|2,0,1]=4 176 B8R0.7 OC(=O)CCCCCCl AK-48239 [0,0,1,0,0,0|1,0,0]=2 177 B8R0.8 CC#CC[C@H](N)C(O)=O AK130681 [0,0,1,0,0,0|1,0,2]=4 178 B8R0.8 CCCC[C@@H](N)C(O)=O AK-76426 [0,0,1,0,0,0|1,0,0]=2 179 B8R0.8 CCCC[C@H](N)C(N)=O AK170163 [0,0,1,0,0,0|2,0,0]=3 180 B8R0.8 NC(CCSC)C(O)=O AK-81252 [0,0,1,0,0,0|2,0,0]=3 181 B8R0.8 N[C@@H](CCCC)C(O)=O AK-49687 [0,0,1,0,0,0|1,0,0]=2 182 B8R0.8 N[C@@H](CCCN)C(O)=O AK-46743 [0,0,1,0,0,0|2,0,0]=3 183 B8R0.8 O=C(O)[C@@H](N)CCCN AK-44096 [0,0,1,0,0,0|2,0,0]=3 184 B8R0.8 O=C(O)[C@@H](N)CCSC AK-73057 [0,0,1,0,0,0|2,0,0]=3 185 B8R0.8 O=C(O)[C@@H](N)CC[Se]C AK-81303 [0,0,1,0,0,0|2,0,0]=3 186 B8R0.8 O=C([O-])C(O)CCSC AK109150 [0,0,1,0,0,0|2,0,1]=4 187 B10R2.62 O=C1C2CCC(CC2)C1 AK144709 [0,0,0,1,0,0|1,0,0]=2 188 B10R2.62 O=C1CN2CCC1CC2 AK-32961 [0,0,0,1,0,0|2,0,0]=3 189 B10R2.62 OC1C2CCC(CC2)C1 AK162852 [0,0,0,1,0,0|1,0,1]=3 190 B10R2.62 O[C@@H]1CN2CCC1CC2 AK-50721 [0,0,0,1,0,0|2,0,1]=4 191 B10R2.351 C12C(C1COC2)C(=O)O AK-31514 [0,0,0,1,0,0|1,0,0]=2 192 B8R1.7 CC(C1SCCN1)=O AK163728 [0,0,0,0,1,0|3,0,0]=4 193 B8R1.7 C[C@@H](N)C1CCCC1 AK332865 [0,0,0,0,1,0|2,0,1]=4 194 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [0,0,0,0,1,0|1,0,0]=2 195 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [0,0,0,0,1,0|1,0,0]=2 196 B8R1.7 O=C(C1=CCCC1)O AK-33463 [0,0,0,0,1,0|0,0,2]=3 197 B8R1.7 O=C(C1CC=CC1)O AK-36334 [0,0,0,0,1,0|0,0,2]=3 198 B8R1.7 O=C(C1CCCC1)O AK-39169 [0,0,0,0,1,0|0,0,0]=1 199 B8R1.7 O=C(C1COCC1)O AK-44786 [0,0,0,0,1,0|1,0,0]=2 200 B8R1.7 O=C(C1NCCC1)N AK-65799 [0,0,0,0,1,0|2,0,0]=3 201 B8R1.7 O=C(C1NCOC1)O AK118758 [0,0,0,0,1,0|2,0,0]=3 202 B8R1.7 O=C(C1SCCN1)O AK-50392 [0,0,0,0,1,0|2,0,0]=3 203 B8R1.7 O=C(N)[C@H]1NCCC1 AK-46342 [0,0,0,0,1,0|2,0,0]=3 204 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [0,0,0,0,1,0|1,0,0]=2 205 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [0,0,0,0,1,0|1,0,0]=2 206 B8R1.7 O=C([C@H]1COCC1)O AK-30108 [0,0,0,0,1,0|1,0,0]=2 207 B8R1.7 O=C([C@H]1NCC=C1)O AK-77612 [0,0,0,0,1,0|1,0,2]=4 208 B8R1.7 O=C([C@H]1NCSC1)O AK-77692 [0,0,0,0,1,0|2,0,0]=3 209 B8R1.7 O=[C@@]([C@@H]1CNCC1)O AK-74153 [0,0,0,0,1,0|1,0,0]=2 210 B8R1.7 OB(C1CCCC1)O AK-61891 [0,0,0,0,1,0|1,0,1]=3 211 B8R1.7 OC(=O)C1CCCN1 AK-54077 [0,0,0,0,1,0|1,0,0]=2 212 B8R1.7 OC(=O)C1CCCO1 AK-60899 [0,0,0,0,1,0|1,0,0]=2 213 B8R1.7 OC(=O)[C@@H]1CCNC1 AK-29667 [0,0,0,0,1,0|1,0,0]=2 214 B8R1.7 OC(=O)[C@H]1CCNC1 AK-73148 [0,0,0,0,1,0|1,0,0]=2 215 B8R1.7 OC(=O)[C@H]1CSCN1 AK-78160 [0,0,0,0,1,0|2,0,0]=3 216 B8R1.7 [C@@H]1(NCC=C1)C(O)=O AK-45899 [0,0,0,0,1,0|1,0,2]=4 217 B10R1.18 CC(=O)NC1CCNCC1 AK-51631 [0,0,0,0,0,1|2,0,0]=3 218 B10R1.18 CC(N)CC1CCCCC1 AK-51120 [0,0,0,0,0,1|2,0,1]=4 219 B10R1.18 N1CCCC(C1)CC(=O)O AK-39922 [0,0,0,0,0,1|1,0,0]=2 220 B10R1.18 O1CCN(CC1)CC(=O)O AK-30449 [0,0,0,0,0,1|2,0,0]=3 221 B10R1.18 O=C(O)CC1=CCCCC1 AK-33815 [0,0,0,0,0,1|0,0,2]=3 222 B10R1.18 O=C(O)CC1CCCCC1 AK-41373 [0,0,0,0,0,1|0,0,0]=1 223 B10R1.18 O=C(O)CC1CCNCC1 AK-35393 [0,0,0,0,0,1|1,0,0]=2 224 B10R1.18 O=C(O)CC1CCOCC1 AK-44841 [0,0,0,0,0,1|1,0,0]=2 225 B10R1.18 O=C(O)CC1NCCOC1 AK-65808 [0,0,0,0,0,1|2,0,0]=3 226 B10R1.18 O=C(O)CC1OCCOC1 AK141848 [0,0,0,0,0,1|2,0,0]=3 227 B10R1.18 O=C(O)CN1CCOCC1 AK-50223 [0,0,0,0,0,1|2,0,0]=3 228 B10R1.18 O=C(O)C[C@@H]1CNCCO1 AK146348 [0,0,0,0,0,1|2,0,0]=3 229 B10R1.18 O=C(O)C[C@H]1CNCCO1 AK142872 [0,0,0,0,0,1|2,0,0]=3 230 B10R1.18 OB(CC1CCCCC1)O AK-85394 [0,0,0,0,0,1|1,0,1]=3 231 B10R1.348 CC(=O)N1CCCNCC1 AK-24088 [0,0,0,0,0,1|2,0,0]=3 232 B10R1.348 O=C(C1CCCCCC1)N AK173577 [0,0,0,0,0,1|1,0,0]=2 233 B10R1.348 O=C(O)C1CCCCCC1 AK-25427 [0,0,0,0,0,1|0,0,0]=1 234 B7R0.1 C=CCCCCCBr AK-40908 [1,0,1,0,0,0|2,0,0]=4 235 B7R0.1 C=CCCCCNC AK142907 [1,0,1,0,0,0|2,0,0]=4 236 B7R0.1 OCCCCCCBr AK110830 [1,0,1,0,0,0|1,0,1]=4 237 B7R0.1 OCCCCCCCl AK-47999 [1,0,1,0,0,0|1,0,1]=4 238 B7R0.1 OCCCCCCN AK-84482 [1,0,1,0,0,0|1,0,1]=4 239 B7R0.4 C#CCCCC(O)=O AK112298 [1,0,1,0,0,0|0,0,2]=4 240 B7R0.4 C(CCC#N)C(O)=O AK-40359 [1,0,1,0,0,0|1,0,1]=4 241 B7R0.4 CCCCCB(O)O AK-46118 [1,0,1,0,0,0|1,0,1]=4 242 B7R0.4 COCCCC(O)=O AK-76729 [1,0,1,0,0,0|1,0,0]=3 243 B7R0.4 NC(OCCCC)=O AK116656 [1,0,1,0,0,0|2,0,0]=4 244 B7R0.4 O=C(O)CCCCBr AK113954 [1,0,1,0,0,0|1,0,0]=3 245 B7R0.4 O=C(O)CCCCCl AK139351 [1,0,1,0,0,0|1,0,0]=3 246 B7R0.4 O=C(O)CCCCO AK198817 [1,0,1,0,0,0|1,0,0]=3 247 B7R0.3 CCCCC(O)CO AK161793 [1,0,1,0,0,0|1,0,1]=4 248 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [1,0,1,0,0,0|1,0,0]=3 249 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [1,0,1,0,0,0|1,0,0]=3 250 B7R0.5 COCC(N)C(O)=O AK-87739 [1,0,1,0,0,0|2,0,0]=4 251 B7R0.5 NC(CCO)C(O)=O AK-41514 [1,0,1,0,0,0|2,0,0]=4 252 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [1,0,1,0,0,0|2,0,0]=4 253 B7R0.5 O=C(O)C(N)CCN AK-44002 [1,0,1,0,0,0|2,0,0]=4 254 B7R0.5 O=C(O)C(O)CCN AK-75839 [1,0,1,0,0,0|2,0,0]=4 255 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [1,0,1,0,0,0|2,0,0]=4 256 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [1,0,1,0,0,0|2,0,0]=4 257 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [1,0,1,0,0,0|2,0,0]=4 258 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [1,0,1,0,0,0|2,0,0]=4 259 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [1,0,1,0,0,0|2,0,0]=4 260 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [1,0,1,0,0,0|2,0,0]=4 261 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [1,0,1,0,0,0|2,0,0]=4 262 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [1,0,1,0,0,0|1,0,0]=3 263 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [1,0,1,0,0,0|2,0,0]=4 264 B7R0.15 CC(N(CC)CC)=O AK105973 [1,0,1,0,0,0|2,0,0]=4 265 B7R0.15 CCC(CC)C([O-])=O AK161891 [1,0,1,0,0,0|0,0,1]=3 266 B7R1.3 BrC1CCCCC1 AK-77686 [2,0,0,0,0,0|1,0,0]=3 267 B7R1.3 BrC1CCNCC1 AK-47522 [2,0,0,0,0,0|2,0,0]=4 268 B7R1.3 BrC1CCOCC1 AK-29943 [2,0,0,0,0,0|2,0,0]=4 269 B7R1.3 C1C(=O)CCNC1 AK-46400 [2,0,0,0,0,0|1,0,1]=4 270 B7R1.3 C1C(CCOC1)N AK-25779 [2,0,0,0,0,0|2,0,0]=4 271 B7R1.3 C1CC(CCO1)O AK-25581 [2,0,0,0,0,0|1,0,0]=3 272 B7R1.3 C[C@@H]1CNCCC1 AK141528 [2,0,0,0,0,0|1,0,1]=4 273 B7R1.3 C[C@H]1CNCCC1 AK-93998 [2,0,0,0,0,0|1,0,1]=4 274 B7R1.3 ClC1CCNCC1 AK-26089 [2,0,0,0,0,0|2,0,0]=4 275 B7R1.3 IC1CCOCC1 AK-29944 [2,0,0,0,0,0|2,0,0]=4 276 B7R1.3 NC1CCSCC1 AK-77885 [2,0,0,0,0,0|2,0,0]=4 277 B7R1.3 NC1CNCCC1 AK-33202 [2,0,0,0,0,0|2,0,0]=4 278 B7R1.3 NN1CCCCC1 AK109255 [2,0,0,0,0,0|2,0,0]=4 279 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [2,0,0,0,0,0|2,0,0]=4 280 B7R1.3 N[C@@H]1COCCC1 AK-77753 [2,0,0,0,0,0|2,0,0]=4 281 B7R1.3 N[C@H]1CCCNC1 AK-34730 [2,0,0,0,0,0|2,0,0]=4 282 B7R1.3 N[C@H]1CNCCC1 AK-33065 [2,0,0,0,0,0|2,0,0]=4 283 B7R1.3 N[C@H]1CNCCC1 AK-34731 [2,0,0,0,0,0|2,0,0]=4 284 B7R1.3 N[C@H]1COCCC1 AK-77571 [2,0,0,0,0,0|2,0,0]=4 285 B7R1.3 O1CCCC(C1)O AK-32117 [2,0,0,0,0,0|1,0,0]=3 286 B7R1.3 O=C1CCCCO1 AK101117 [2,0,0,0,0,0|1,0,1]=4 287 B7R1.3 O=C1CCCOC1 AK-32516 [2,0,0,0,0,0|1,0,1]=4 288 B7R1.3 O=C1CCOCC1 AK-25731 [2,0,0,0,0,0|1,0,1]=4 289 B7R1.3 O=C1CCSCC1 AK-25499 [2,0,0,0,0,0|1,0,1]=4 290 B7R1.3 O=C1CNCCC1 AK-38925 [2,0,0,0,0,0|1,0,1]=4 291 B7R1.3 O=C1CNCCC1 AK-64363 [2,0,0,0,0,0|1,0,1]=4 292 B7R1.3 O=C1CSCCC1 AK112945 [2,0,0,0,0,0|1,0,1]=4 293 B7R1.3 OC1CCNCC1 AK-46522 [2,0,0,0,0,0|1,0,0]=3 294 B7R1.3 OC1CCNCC1 AK-80456 [2,0,0,0,0,0|1,0,0]=3 295 B7R1.3 OC1COCOC1 AK-85976 [2,0,0,0,0,0|2,0,0]=4 296 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [2,0,0,0,0,0|1,0,0]=3 297 B7R1.3 O[C@H]1CCCNC1 AK-29273 [2,0,0,0,0,0|1,0,0]=3 298 B9R0.1 COC(=O)CCCC(O)=O AK-76606 [0,1,1,0,0,0|1,0,1]=4 299 B9R0.2 C=CCCCCCC(O)=O AK164507 [0,1,1,0,0,0|0,0,1]=3 300 B9R0.2 CCCCCCCB(O)O AK145619 [0,1,1,0,0,0|1,0,1]=4 301 B9R0.2 O=C(O)CCCCCCN AK-47536 [0,1,1,0,0,0|0,0,0]=2 302 B9R0.2 OC(=O)CCCCCCBr AK-28585 [0,1,1,0,0,0|0,0,0]=2 303 B9R0.2 OCCCCCCC(O)=O AK-29232 [0,1,1,0,0,0|0,0,0]=2 304 B9R0.4 O=C(O)C[C@@H](N)CCSC AK486956 [0,1,1,0,0,0|1,0,0]=3 305 B9R0.38 CCCCCCS(=O)([O-])=O AK-86034 [0,1,1,0,0,0|1,0,1]=4 306 B9R0.46 CCCCCCC(C)CO AK158822 [0,1,1,0,0,0|1,0,1]=4 307 B9R0.46 O=C(OC)CCCCCBr AK113951 [0,1,1,0,0,0|1,0,0]=3 308 B9R0.46 O=C(OC)CCCCCN AK-47079 [0,1,1,0,0,0|1,0,0]=3 309 B9R0.47 C(CC(N)C(O)=O)CCN AK-73020 [0,1,1,0,0,0|1,0,0]=3 310 B9R0.47 CCCCCC(N)C(O)=O AK-87757 [0,1,1,0,0,0|0,0,0]=2 311 B9R0.47 CCCCC[C@@H](N)C(O)=O AK106125 [0,1,1,0,0,0|0,0,0]=2 312 B9R0.47 CCCCC[C@H](N)C(O)=O AK106126 [0,1,1,0,0,0|0,0,0]=2 313 B9R0.47 NC(CCCCN)C(O)=O AK-81251 [0,1,1,0,0,0|1,0,0]=3 314 B9R0.47 N[C@@H](CCCCN)C(N)=O AK327278 [0,1,1,0,0,0|2,0,0]=4 315 B9R0.47 N[C@H](CCCCN)C(O)=O AK-23885 [0,1,1,0,0,0|1,0,0]=3 316 B9R0.47 O=C(O)[C@@H](N)CCCCN AK-46553 [0,1,1,0,0,0|1,0,0]=3 317 B9R0.47 O=C(O)[C@@H](N)CCCCN AK101731 [0,1,1,0,0,0|1,0,0]=3 318 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [0,1,1,0,0,0|1,0,1]=4 319 B9R0.55 CC(=O)CCCCC(O)=O AK-48369 [0,1,1,0,0,0|0,0,1]=3 320 B9R0.7 O=C(O)[C@@H](N)CCS(C)=O AK-78295 [0,1,1,0,0,0|2,0,0]=4 321 B9R0.7 [C@H](N)(CCC(C)C)C(O)=O AK-34655 [0,1,1,0,0,0|1,0,0]=3 322 B9R0.8 N[C@@H](CCSC)C(OC)=O AK-46079 [0,1,1,0,0,0|2,0,0]=4 323 B9R0.8 O=C(OC)[C@@H](N)CCCN AK-41688 [0,1,1,0,0,0|2,0,0]=4 324 B9R0.13 CCCCC(CC)C([O-])=O AK159156 [0,1,1,0,0,0|0,0,1]=3 325 B9R0.42 O=C(O)[C@H](C)CC(OC)=O AK-93758 [0,1,1,0,0,0|1,0,1]=4 326 B9R0.15 CCCC(CCC)C(O)=O AK128830 [0,1,1,0,0,0|0,0,0]=2 327 B9R0.33 C(C(C(=O)O)C(=O)O)CC AK-73112 [0,1,1,0,0,0|1,0,1]=4 328 B9R0.39 CC(C)C[C@@H](CN)C(O)=O AK119214 [0,1,1,0,0,0|1,0,0]=3 329 B9R0.39 CC(C)C[C@H](CN)C(O)=O AK119217 [0,1,1,0,0,0|1,0,0]=3 330 B9R0.39 CC(C)C[C@H](NC)C(O)=O AK107655 [0,1,1,0,0,0|1,0,0]=3 331 B9R0.39 CCC(NC(C)=O)C(O)=O AK170144 [0,1,1,0,0,0|1,0,1]=4 332 B9R0.39 CC[C@@H](NC(C)=O)C(O)=O AK-87748 [0,1,1,0,0,0|1,0,1]=4 333 B9R1.1 C(O)C1CCN(C)CC1 AK-10165 [1,1,0,0,0,0|1,0,1]=4 334 B9R1.1 COC1CCC(N)CC1 AK-77237 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.1 N#CC1CCC(N)CC1 AK164809 [1,1,0,0,0,0|1,0,1]=4 336 B9R1.1 O=C1CCC(CO)CC1 AK114473 [1,1,0,0,0,0|0,0,2]=4 337 B9R1.1 O=CC1CCC(CC1)=O AK-46502 [1,1,0,0,0,0|0,0,1]=3 338 B9R1.1 OC1CCC(CC1)C#N AK-37993 [1,1,0,0,0,0|1,0,1]=4 339 B9R1.1 OC1CCC(NC)CC1 AK141349 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.1 OC1CCC(OC)CC1 AK-93462 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.1 O[C@H]1CC[C@@H](NC)CC1 AK145421 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.1 O[C@H]1CC[C@H](NC)CC1 AK-89578 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.1 O[C@H]1CC[C@H](NC)CC1 AK543100 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.2 C(C1CN(CCC1)C)O AK-29511 [1,1,0,0,0,0|1,0,1]=4 345 B9R1.8 C1CCN[C@H](C1)CCO AK-39809 [1,1,0,0,0,0|1,0,1]=4 346 B9R1.8 COCC1CCNCC1 AK-39216 [1,1,0,0,0,0|1,0,1]=4 347 B9R1.8 COCC1NCCCC1 AK153936 [1,1,0,0,0,0|1,0,1]=4 348 B9R1.8 N#CCC1CCCCC1 AK144830 [1,1,0,0,0,0|1,0,1]=4 349 B9R1.8 NCCC1CCCCC1 AK-25118 [1,1,0,0,0,0|1,0,1]=4 350 B9R1.8 OCC[C@@H]1NCCCC1 AK-97234 [1,1,0,0,0,0|1,0,1]=4 351 B9R1.8 OCC[C@@H]1NCCCC1 AK164123 [1,1,0,0,0,0|1,0,1]=4 352 B9R1.8 OCC[C@H]1NCCCC1 AK-41773 [1,1,0,0,0,0|1,0,1]=4 353 B9R1.15 C(C1N(CCCC1)C)O AK-34053 [1,1,0,0,0,0|1,0,1]=4 354 B9R1.15 OC1C(CO)CNCC1 AK151180 [1,1,0,0,0,0|1,0,1]=4 355 B9R1.118 CC1(CO)CCNCC1 AK-31335 [1,1,0,0,0,0|1,0,1]=4 356 B9R1.118 OC1(CO)CCNCC1 AK121898 [1,1,0,0,0,0|1,0,1]=4 357 B9R1.118 OC1(CO)CCNCC1 AK170693 [1,1,0,0,0,0|1,0,1]=4 358 B9R1.118 OCC1(F)CCCCC1 AK-32002 [1,1,0,0,0,0|0,0,1]=3 359 B9R1.118 OCC1(F)CCNCC1 AK110676 [1,1,0,0,0,0|1,0,1]=4 360 B9R1.118 OCC1(N)CCOCC1 AK-40529 [1,1,0,0,0,0|1,0,1]=4 361 B9R1.11 COC(=O)[C@H]1CCCN1 AK-81261 [0,1,0,0,1,0|1,0,0]=3 362 B9R1.11 O=C(C1=CCCC1)OC AK-39180 [0,1,0,0,1,0|0,0,2]=4 363 B9R1.11 O=C(C1CNCC1)OC AK-72873 [0,1,0,0,1,0|1,0,0]=3 364 B9R1.11 O=C(C1COCC1)NN AK114109 [0,1,0,0,1,0|2,0,0]=4 365 B9R1.11 O=C(C1COCC1)OC AK137950 [0,1,0,0,1,0|1,0,0]=3 366 B9R1.11 O=C(C1NCCC1)OC AK-81380 [0,1,0,0,1,0|1,0,0]=3 367 B9R1.11 O=C(OC)[C@H]1NCCC1 AK-46611 [0,1,0,0,1,0|1,0,0]=3 368 B9R1.11 O=C([C@@H]1CNCC1)OC AK-65093 [0,1,0,0,1,0|1,0,0]=3 369 B9R1.11 O=C([C@H]1CNCC1)OC AK-77335 [0,1,0,0,1,0|1,0,0]=3 370 B9R1.11 OC[C@@H](N)C1CCCC1 AK677837 [0,1,0,0,1,0|1,0,1]=4 371 B9R1.35 CC(N1CC(N)CC1)=O AK148501 [0,1,0,0,1,0|2,0,0]=4 372 B9R1.35 CC(N1CC(O)CC1)=O AK-83647 [0,1,0,0,1,0|2,0,0]=4 373 B9R1.35 CC(N1C[C@H](N)CC1)=O AK144251 [0,1,0,0,1,0|2,0,0]=4 374 B9R1.35 N1(CC(C(=O)O)CC1)C AK-27826 [0,1,0,0,1,0|1,0,0]=3 375 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 AK-65072 [0,1,0,0,1,0|0,0,2]=4 376 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 AK113066 [0,1,0,0,1,0|0,0,2]=4 377 B9R1.35 O=C(C1CC(N)CC1)O AK-95492 [0,1,0,0,1,0|0,0,0]=2 378 B9R1.35 O=C(C1CCC(N1)=O)O AK-41431 [0,1,0,0,1,0|1,0,1]=4 379 B9R1.35 O=C(C1CCC(O1)=O)O AK154758 [0,1,0,0,1,0|1,0,1]=4 380 B9R1.35 O=C(O)[C@@H]1NC[C@@H](O)C1 AK-40161 [0,1,0,0,1,0|1,0,0]=3 381 B9R1.35 O=C(O)[C@H]1NC[C@H](O)C1 AK-26056 [0,1,0,0,1,0|1,0,0]=3 382 B9R1.35 O=C([C@@H]1CC(CC1)=O)O AK100868 [0,1,0,0,1,0|0,0,1]=3 383 B9R1.35 O=C([C@@H]1CCC(N1)=O)O AK-61177 [0,1,0,0,1,0|1,0,1]=4 384 B9R1.35 O=C([C@@H]1NC[C@@H](N)C1)O AK-42168 [0,1,0,0,1,0|1,0,0]=3 385 B9R1.35 O=C([C@@H]1NC[C@@H](O)C1)O AK-41934 [0,1,0,0,1,0|1,0,0]=3 386 B9R1.35 O=C([C@H]1CC(CC1)=O)O AK-99964 [0,1,0,0,1,0|0,0,1]=3 387 B9R1.35 O=C([C@H]1CCC(N1)=O)O AK-46027 [0,1,0,0,1,0|1,0,1]=4 388 B9R1.35 O=C([C@H]1CCC(O1)=O)O AK-39191 [0,1,0,0,1,0|1,0,1]=4 389 B9R1.35 O=C([C@H]1C[C@@H](N)CC1)O AK159207 [0,1,0,0,1,0|0,0,0]=2 390 B9R1.35 O=C([C@H]1C[C@H](N)CC1)O AK163486 [0,1,0,0,1,0|0,0,0]=2 391 B9R1.35 O=C([C@H]1NC[C@@H](N)C1)O AK133481 [0,1,0,0,1,0|1,0,0]=3 392 B9R1.35 O=C([C@H]1NC[C@@H](O)C1)O AK-38980 [0,1,0,0,1,0|1,0,0]=3 393 B9R1.35 O=C([C@H]1NC[C@@H](O)C1)O AK-75743 [0,1,0,0,1,0|1,0,0]=3 394 B9R1.35 O=C([C@H]1NC[C@H](O)C1)O AK162668 [0,1,0,0,1,0|1,0,0]=3 395 B9R1.35 O=C1CC(CC1)C(=O)O AK-31826 [0,1,0,0,1,0|0,0,1]=3 396 B9R1.35 OC(=O)[C@@H]1C[C@H](F)CN1 AK-30114 [0,1,0,0,1,0|1,0,0]=3 397 B9R1.35 O[C@H]1CN[C@H](C1)C(=O)O AK-39011 [0,1,0,0,1,0|1,0,0]=3 398 B9R1.35 [C@H]1(NC[C@H](O)C1)C(=O)O AK-46403 [0,1,0,0,1,0|1,0,0]=3 399 B9R1.41 CN1CCC[C@H]1C(=O)O AK-46644 [0,1,0,0,1,0|1,0,0]=3 400 B9R1.41 O=C(C1N(C)CCC1)O AK125185 [0,1,0,0,1,0|1,0,0]=3 401 B9R1.41 O=C(C1N(C)CCC1)O AK543096 [0,1,0,0,1,0|1,0,0]=3 402 B9R1.41 O=C([C@@H]1N(C)CCC1)O AK165548 [0,1,0,0,1,0|1,0,0]=3 403 B9R1.41 O=C([C@@H]1[C@@H](N)CCC1)O AK129335 [0,1,0,0,1,0|0,0,0]=2 404 B9R1.41 O=C([C@H]1N(C)CCC1)O AK-50484 [0,1,0,0,1,0|1,0,0]=3 405 B9R1.41 O=C([C@H]1NCC[C@H]1O)O AK135074 [0,1,0,0,1,0|1,0,0]=3 406 B9R1.163 O=C(C1(CCCC1)N)O AK-29341 [0,1,0,0,1,0|0,0,0]=2 407 B9R1.163 O=C(C1(F)CCCC1)O AK319573 [0,1,0,0,1,0|0,0,0]=2 408 B9R1.163 O=C([C@@]1(C)NCCC1)O AK164729 [0,1,0,0,1,0|1,0,0]=3 409 B9R1.163 O=C([C@]1(C)NCCC1)O AK116999 [0,1,0,0,1,0|1,0,0]=3 410 B9R1.163 OC(=O)C1(O)CCCC1 AK-60583 [0,1,0,0,1,0|0,0,0]=2 411 B11R1.20 C(N1CCN(C)CC1)C(=O)O AK-29379 [0,1,0,0,0,1|2,0,0]=4 412 B11R1.20 CC(=O)NC1CCC(O)CC1 AK109437 [0,1,0,0,0,1|1,0,0]=3 413 B11R1.20 CC(OC1CCC(CC1)=O)=O AK112287 [0,1,0,0,0,1|1,0,1]=4 414 B11R1.20 N[C@H]1CC[C@H](CC(O)=O)CC1 AK110004 [0,1,0,0,0,1|0,0,0]=2 415 B11R1.20 O=C(O)CC1CCC(O)CC1 AK141945 [0,1,0,0,0,1|0,0,0]=2 416 B11R1.20 O=C1CCC(CC1)NC(C)=O AK-23921 [0,1,0,0,0,1|1,0,1]=4 417 B11R1.36 CC(C1CCCCC1)C(O)=O AK125718 [0,1,0,0,0,1|0,0,0]=2 418 B11R1.36 O=C(O)C(N)C1CCCCC1 AK-42709 [0,1,0,0,0,1|0,0,0]=2 419 B11R1.36 O=C(O)C(N)C1CCOCC1 AK-72641 [0,1,0,0,0,1|1,0,0]=3 420 B11R1.36 O=C(O)[C@@H](N)C1CCCCC1 AK-46700 [0,1,0,0,0,1|0,0,0]=2 421 B11R1.36 O=C(O)[C@@H](N)C1CCCCC1 AK162697 [0,1,0,0,0,1|0,0,0]=2 422 B11R1.36 O=C(O)[C@@H](N)C1CCOCC1 AK-36446 [0,1,0,0,0,1|1,0,0]=3 423 B11R1.36 O=C(O)[C@H](N)C1CCCCC1 AK-76429 [0,1,0,0,0,1|0,0,0]=2 424 B11R1.36 O=C(O)[C@H](N)C1CCOCC1 AK-44436 [0,1,0,0,0,1|1,0,0]=3 425 B11R1.36 [C@@H](N)(C1CCCCC1)C(O)=O AK-87852 [0,1,0,0,0,1|0,0,0]=2 426 B11R1.40 COC(=O)CC1CCOCC1 AK-76203 [0,1,0,0,0,1|1,0,0]=3 427 B11R1.40 O=C(OC)CC1CCNCC1 AK-44290 [0,1,0,0,0,1|1,0,0]=3 428 B11R1.40 O=C(OC)C[C@@H]1NCCOC1 AK165141 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.40 OC[C@@H](N)CC1CCCCC1 AK-57591 [0,1,0,0,0,1|1,0,1]=4 430 B11R1.928 O=C(O)CC1(N)CCCCC1 AK-39323 [0,1,0,0,0,1|0,0,0]=2 431 B11R1.3 CC(N1CCC(NC)CC1)=O AK-75891 [0,2,0,0,0,0|2,0,0]=4 432 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(O)=O AK-87189 [0,2,0,0,0,0|0,0,0]=2 433 B11R1.3 O=C(C1CCC(CC)CC1)O AK-88552 [0,2,0,0,0,0|0,0,0]=2 434 B11R1.3 O=C(C1CCC(CN)CC1)O AK134863 [0,2,0,0,0,0|0,0,0]=2 435 B11R1.3 O=C([C@H]1CC[C@H](CN)CC1)O AK308472 [0,2,0,0,0,0|0,0,0]=2 436 B11R1.3 O=C([C@H]1CC[C@H](OC)CC1)O AK173632 [0,2,0,0,0,0|0,0,0]=2 437 B11R1.19 CC(O)([C@H]1CC[C@H](N)CC1)C AK122417 [0,2,0,0,0,0|1,0,1]=4 438 B11R1.22 O=C(C1CCC(CC1)=O)OC AK-82287 [0,2,0,0,0,0|0,0,1]=3 439 B11R1.22 O=C(C1CCN(C)CC1)OC AK-63407 [0,2,0,0,0,0|1,0,0]=3 440 B11R1.22 O=C(C1CNC(C)CC1)OC AK103663 [0,2,0,0,0,0|1,0,0]=3 441 B11R1.22 O=C([C@H]1CC[C@@H](N)CC1)OC AK156429 [0,2,0,0,0,0|0,0,0]=2 442 B11R1.22 O=C([C@H]1CC[C@H](N)CC1)OC AK-41933 [0,2,0,0,0,0|0,0,0]=2 443 B11R1.22 O=C([C@H]1CC[C@H](N)CC1)OC AK515712 [0,2,0,0,0,0|0,0,0]=2 444 B11R1.22 O=C([C@H]1CC[C@H](O)CC1)OC AK161903 [0,2,0,0,0,0|0,0,0]=2 445 B11R1.220 O=C(C1(C)CCC(CC1)=O)O AK121875 [0,2,0,0,0,0|0,0,1]=3 446 B11R1.727 CC1(C)OCC(C(=O)O)CO1 AK102488 [0,2,0,0,0,0|2,0,0]=4 447 B11R1.727 O=C(C1CCC(F)(F)CC1)O AK-25331 [0,2,0,0,0,0|0,0,0]=2 448 B11R1.727 O=C(C1CCS(CC1)(=O)=O)O AK-88449 [0,2,0,0,0,0|1,0,0]=3 449 B11R1.16 C(OC(C1CCCNC1)=O)C AK-50734 [0,2,0,0,0,0|1,0,0]=3 450 B11R1.16 C(OC(C1CCNCC1)=O)C AK-50644 [0,2,0,0,0,0|1,0,0]=3 451 B11R1.16 CCOC(=O)N1CCCCC1 AK-76918 [0,2,0,0,0,0|1,0,0]=3 452 B11R1.16 O=C(C1CCNCC1)OCC AK114998 [0,2,0,0,0,0|1,0,0]=3 453 B11R1.16 O=C(C1CCOCC1)OCC AK-55948 [0,2,0,0,0,0|1,0,0]=3 454 B11R1.16 O=C(C1CNCCC1)OCC AK-45217 [0,2,0,0,0,0|1,0,0]=3 455 B11R1.16 O=C(C1CNCCO1)OCC AK-32010 [0,2,0,0,0,0|2,0,0]=4 456 B11R1.16 O=C(C1NCCCC1)OCC AK117282 [0,2,0,0,0,0|1,0,0]=3 457 B11R1.16 O=C(C1NCCNC1)OCC AK-82337 [0,2,0,0,0,0|2,0,0]=4 458 B11R1.16 O=C(CC#N)C1CCCCC1 AK102942 [0,2,0,0,0,0|1,0,0]=3 459 B11R1.16 O=C([C@@H]1CNCCC1)OCC AK-50723 [0,2,0,0,0,0|1,0,0]=3 460 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-41584 [0,2,0,0,0,0|1,0,0]=3 461 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-45083 [0,2,0,0,0,0|1,0,0]=3 462 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-50703 [0,2,0,0,0,0|1,0,0]=3 463 B11R1.16 O=C([C@H]1NCCCC1)OCC AK-97255 [0,2,0,0,0,0|1,0,0]=3 464 B11R1.23 COC(=O)C1CCCC(=O)C1 AK-57628 [0,2,0,0,0,0|0,0,1]=3 465 B11R1.23 O=C(C1CC(NCC1)=O)OC AK-51686 [0,2,0,0,0,0|1,0,1]=4 466 B11R1.23 O=C(C1CN(C)CCC1)OC AK-28582 [0,2,0,0,0,0|1,0,0]=3 467 B11R1.222 COC(=O)C1C(=O)CCNC1 AK-47419 [0,2,0,0,0,0|1,0,1]=4 468 B11R1.222 COC(=O)C1COCCC1=O AK-65015 [0,2,0,0,0,0|1,0,1]=4 469 B11R1.222 O=C(C1CNCCC1O)OC AK554356 [0,2,0,0,0,0|1,0,0]=3 470 B11R1.222 O=C(C1CSCCC1=O)OC AK115673 [0,2,0,0,0,0|1,0,1]=4 471 B11R1.222 O=C(C1N(C)CCNC1)OC AK-64634 [0,2,0,0,0,0|2,0,0]=4 472 B11R1.878 COC(=O)C1(N)CCCCC1 AK-77095 [0,2,0,0,0,0|0,0,0]=2 473 B11R1.878 O=C(C1(O)CCNCC1)OC AK102355 [0,2,0,0,0,0|1,0,0]=3 474 B11R1.266 O=C(C1CC(OC)CCC1)O AK135091 [0,2,0,0,0,0|0,0,0]=2 475 B9R1.7 O=C1OC[C@H](CCC)C1 AK543520 [0,0,1,1,0,0|2,0,0]=4 476 B9R1.13 O1CCC(C1)CC(=O)O AK-37736 [0,0,1,1,0,0|1,0,0]=3 477 B9R1.13 O=C(O)CC1CCCC1 AK-44360 [0,0,1,1,0,0|0,0,0]=2 478 B9R1.13 O=C(O)C[C@@H]1NCCC1 AK-80502 [0,0,1,1,0,0|1,0,0]=3 479 B9R1.13 O=C(O)C[C@H]1NCCC1 AK-80500 [0,0,1,1,0,0|1,0,0]=3 480 B9R1.13 OC(=O)CN1CCCC1 AK109942 [0,0,1,1,0,0|1,0,0]=3 481 B9R1.13 [C@@H]1(CC(O)=O)CCCN1 AK-68480 [0,0,1,1,0,0|1,0,0]=3 482 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,0,1,1,0,0|1,0,0]=3 483 B9R1.50 O=C1NCCCCCC1 AK-84407 [0,0,1,1,0,0|1,0,0]=3 484 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [0,0,1,1,0,0|2,0,0]=4 485 B9R1.5 O=C1NCCCCC1N AK-77858 [0,0,1,1,0,0|2,0,0]=4 486 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,0,1,1,0,0|2,0,0]=4 487 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,0,1,1,0,0|2,0,0]=4 488 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,0,1,1,0,0|2,0,0]=4 489 B9R1.110 NC(C1CCC1)C(O)=O AK-88091 [0,0,1,1,0,0|1,0,0]=3 490 B9R1.112 O=C(O)[C@@H](N)CC1CC1 AK-46409 [0,0,1,1,0,0|1,0,0]=3 491 B9R1.112 O=C(O)[C@H](N)CC1CC1 AK-44500 [0,0,1,1,0,0|1,0,0]=3 492 B9R2.174 O1CC12CCOCC2 AK-41848 [1,0,0,1,0,0|1,0,1]=4 493 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 AK-42226 [0,0,0,1,1,0|1,0,0]=3 494 B11R2.10 S=C1NC2C(CCCC2)N1 AK-77775 [0,0,0,1,0,1|1,1,0]=4 495 B11R2.703 O=C1CC2(CCNCC2)C1 AK-51052 [0,0,0,1,0,1|2,0,0]=4 496 B11R2.703 O=C1NC2(CCNCC2)C1 AK123212 [0,0,0,1,0,1|2,0,0]=4 497 B11R2.1 O=C1OC[C@@H]2CNCCN21 AK124406 [0,1,0,1,0,0|2,0,0]=4 498 B11R2.12 O=C1NCC12CCNCC2 AK151328 [0,1,0,1,0,0|2,0,0]=4 499 B11R2.845 O=C(C1C2CC(C1)C=C2)O AK-72985 [0,1,0,1,0,0|0,0,2]=4 500 B7R1.1 BrCC1CCCC1 AK-88361 [1,0,0,0,1,0|1,0,1]=4 501 B7R1.1 C(C1CCCC1)O AK-46653 [1,0,0,0,1,0|0,0,1]=3 502 B7R1.1 NCC1CCCC1 AK-27938 [1,0,0,0,1,0|1,0,1]=4 503 B7R1.1 NNC1CCCC1 AK-44319 [1,0,0,0,1,0|2,0,0]=4 504 B7R1.1 OCC1CCCN1 AK-40306 [1,0,0,0,1,0|1,0,1]=4 505 B7R1.1 OCC1CNCC1 AK-26048 [1,0,0,0,1,0|1,0,1]=4 506 B7R1.1 OCC1CNCC1 AK-38963 [1,0,0,0,1,0|1,0,1]=4 507 B7R1.1 OCC1CNCC1 AK105115 [1,0,0,0,1,0|1,0,1]=4 508 B7R1.1 OCC1COCC1 AK-51698 [1,0,0,0,1,0|1,0,1]=4 509 B7R1.1 OCC1OCCC1 AK106959 [1,0,0,0,1,0|1,0,1]=4 510 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [1,0,0,0,1,0|1,0,1]=4 511 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [1,0,0,0,1,0|1,0,1]=4 512 B7R1.1 OC[C@H]1CNCC1 AK-32836 [1,0,0,0,1,0|1,0,1]=4 513 B7R1.1 OC[C@H]1CNCC1 AK108367 [1,0,0,0,1,0|1,0,1]=4 514 B7R1.1 OC[C@H]1COCC1 AK129134 [1,0,0,0,1,0|1,0,1]=4 515 B7R1.1 OC[C@H]1NCCC1 AK-46693 [1,0,0,0,1,0|1,0,1]=4 516 B7R1.18 C(=O)(C1OCC1)O AK-38212 [0,0,0,0,2,0|1,0,0]=3 517 B7R1.18 C1(CCC1)C(C)O AK-39885 [0,0,0,0,2,0|1,0,1]=4 518 B7R1.18 N1CC[C@@H]1C(=O)O AK-23961 [0,0,0,0,2,0|1,0,0]=3 519 B7R1.18 O=C(C1CCC1)N AK117552 [0,0,0,0,2,0|1,0,0]=3 520 B7R1.18 O=C(C1CNC1)O AK-21934 [0,0,0,0,2,0|1,0,0]=3 521 B7R1.18 O=C([C@@H]1NCC1)O AK118698 [0,0,0,0,2,0|1,0,0]=3 522 B7R1.18 OB(C1CCC1)O AK-84302 [0,0,0,0,2,0|1,0,1]=4 523 B7R1.18 OC(=O)C1CCN1 AK-27256 [0,0,0,0,2,0|1,0,0]=3 524 B9R1.89 NCC1CCCCCC1 AK110620 [1,0,0,0,0,1|1,0,1]=4 525 B11R1.91 O=C(O)CCC1CCCCC1 AK116675 [0,0,0,0,0,2|0,0,0]=2 526 B11R1.91 O=C(O)CCN1CCCCC1 AK-34442 [0,0,0,0,0,2|1,0,0]=3 527 B11R1.91 O=C(O)CCN1CCOCC1 AK-32581 [0,0,0,0,0,2|2,0,0]=4 528 B11R1.91 O=C(O)\C=C\C1CCCCC1 AK-79295 [0,0,0,0,0,2|0,0,0]=2