0 B9R0.13 CCCCC(CC)C([O-])=O AK159156 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.8 CCCC[C@@H](N)C(O)=O AK-76426 [1,0,0,0,0,0|2,0,0]=3 2 B8R0.8 CCCC[C@H](N)C(N)=O AK170163 [1,0,0,0,0,0|2,0,0]=3 3 B8R0.8 NC(CCSC)C(O)=O AK-81252 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.8 N[C@@H](CCCC)C(O)=O AK-49687 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.8 N[C@@H](CCCN)C(O)=O AK-46743 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.8 O=C(O)[C@@H](N)CCCN AK-44096 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.8 O=C(O)[C@@H](N)CCSC AK-73057 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.8 O=C(O)[C@@H](N)CC[Se]C AK-81303 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.8 O=C([O-])C(O)CCSC AK109150 [1,0,0,0,0,0|2,0,0]=3 10 B10R0.101 CC(C(CC)C(OCC)=O)=O AK-46785 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.13 CC(N1CCC(N)CC1)=O AK109930 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.13 CC1=CCC(C(C)=O)CC1 AK-49974 [0,0,0,1,0,0|1,0,1]=3 13 B10R1.13 CN1CCC(CC1)C(N)=O AK101095 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.13 CN1CCC(CC1)C(O)=O AK-48466 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.13 CN1CCN(C(C)=O)CC1 AK-26172 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.13 C[C@H]1CC[C@@H](CC1)C(O)=O AK-45247 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.13 N[C@H]1CC[C@@H](CC1)C(O)=O AK-29230 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.13 N[C@H]1CC[C@H](CC1)C(O)=O AK-41665 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.13 O=C(C1CCC(C)CC1)O AK164489 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.13 O=C(C1CCN(C)CC1)O AK-47579 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.13 O=C([C@H]1CC[C@@H](O)CC1)O AK-64579 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O AK-40159 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.13 O=C([C@H]1CC[C@H](O)CC1)O AK116045 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.13 OC1CCC(CC1)C(O)=O AK-64210 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.61 N[C@@H]1[C@@H](N(C)C)CCCC1 AK115708 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.61 N[C@H]1[C@H](N(C)C)CCCC1 AK112752 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.61 O=C(C1C(C)NCCC1)O AK155118 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.61 O=C(C1N(C)CCCC1)O AK-34361 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK-80986 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK210035 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.61 O=C([C@H]1N(C)CCCC1)O AK151825 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.61 OC1CCCCC1C(=O)O AK-35836 [0,0,0,1,0,0|1,0,0]=2 33 B10R1.348 CC(=O)N1CCCNCC1 AK-24088 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.348 O=C(C1CCCCCC1)N AK173577 [0,0,0,1,0,0|2,0,0]=3 35 B10R1.348 O=C(O)C1CCCCCC1 AK-25427 [0,0,0,1,0,0|2,0,0]=3 36 B7R0.3 CCCCC(O)CO AK161793 [2,0,0,0,0,0|0,0,1]=3 37 B7R0.3 N[C@@H](CCSC)CO AK-81277 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.4 CC(OCCCCl)=O AK167628 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.4 COCCCC(O)=O AK-76729 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.4 NC(OCCCC)=O AK116656 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.4 O=C(O)CCCCBr AK113954 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.4 O=C(O)CCCCCl AK139351 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.4 O=C(O)CCCCO AK198817 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.5 O=C(O)C(O)CCN AK-75839 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.15 CC(C)C(CC)CO AK-40568 [2,0,0,0,0,0|1,0,1]=4 50 B7R0.15 CC(N(CC)CC)=O AK105973 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.15 CCC(CC)C([O-])=O AK161891 [2,0,0,0,0,0|2,0,0]=4 52 B9R0.6 CC(C(C)C(OCC)=O)=O AK-72552 [1,1,0,0,0,0|1,0,1]=4 53 B9R0.7 [C@H](N)(CCC(C)C)C(O)=O AK-34655 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.8 N[C@@H](CCSC)C(OC)=O AK-46079 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.8 O=C(OC)[C@@H](N)CCCN AK-41688 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.47 C(CC(N)C(O)=O)CCN AK-73020 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.47 CCCCCC(N)C(O)=O AK-87757 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.47 CCCCC[C@@H](N)C(O)=O AK106125 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.47 CCCCC[C@H](N)C(O)=O AK106126 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.47 NC(CCCCN)C(O)=O AK-81251 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.47 N[C@@H](CCCCN)C(N)=O AK327278 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.47 N[C@H](CCCCN)C(O)=O AK-23885 [1,1,0,0,0,0|2,0,0]=4 63 B9R0.47 O=C(O)[C@@H](N)CCCCN AK-46553 [1,1,0,0,0,0|2,0,0]=4 64 B9R0.47 O=C(O)[C@@H](N)CCCCN AK101731 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.15 CCCC(CCC)C(O)=O AK128830 [1,1,0,0,0,0|2,0,0]=4 66 B9R0.33 C(C(C(=O)O)C(=O)O)CC AK-73112 [1,1,0,0,0,0|1,0,1]=4 67 B9R0.39 CC(C)C[C@@H](CN)C(O)=O AK119214 [1,1,0,0,0,0|2,0,0]=4 68 B9R0.39 CC(C)C[C@H](CN)C(O)=O AK119217 [1,1,0,0,0,0|2,0,0]=4 69 B11R0.143 OCC(OC(C)=O)COC(C)=O AK116597 [0,1,0,0,0,1|1,0,1]=4 70 B11R0.160 C(C(NC(C)=O)C(O)=O)CSC AK-46621 [0,1,0,0,0,1|1,0,1]=4 71 B11R0.160 CCCC[C@H](NC(C)=O)C(O)=O AK106110 [0,1,0,0,0,1|0,0,1]=3 72 B11R0.191 CCCCC(CC)C(=O)OCC AK-82117 [0,2,0,0,0,0|1,0,0]=3 73 B9R1.5 CN1CCNCCC1=O AK-63341 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.5 CN1CCNCCC1=O AK-77181 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [1,0,0,1,0,0|1,0,0]=3 76 B9R1.5 O=C1N(C)CCCNC1 AK-81379 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.5 O=C1NCCCCC1N AK-77858 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.6 CC(=O)N1CCOCC1 AK-59803 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.6 CC(C1CCCCC1)=O AK110444 [1,0,0,1,0,0|0,0,0]=2 83 B9R1.6 CC(C1CCNCC1)=O AK-76366 [1,0,0,1,0,0|1,0,0]=3 84 B9R1.6 CC(C1CCOCC1)=O AK-58675 [1,0,0,1,0,0|1,0,0]=3 85 B9R1.6 N1CCCC[C@H]1C(=O)O AK-51322 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.6 O1CCC(CC1)C(=O)O AK-23928 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.6 O=C(C1CCCCC1)O AK-73017 [1,0,0,1,0,0|1,0,0]=3 88 B9R1.6 O=C(C1CCNCC1)N AK-25908 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.6 O=C(C1CCNCC1)N AK-65946 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.6 O=C(C1CCNCC1)O AK-47605 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.6 O=C(C1CCOCC1)N AK-90382 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.6 O=C(C1CNCCC1)N AK-44355 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.6 O=C(C1CNCCC1)O AK-35333 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.6 O=C(C1COCCC1)O AK-65298 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.6 O=C(C1NCCCC1)N AK-50709 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.6 O=C(C1NCCCC1)O AK-35539 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.6 O=C(C1NCCCC1)O AK126108 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.6 O=C(N1CCNCC1)C AK-44435 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.6 O=C([C@@H]1CNCCC1)O AK-37130 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.6 O=C([C@@H]1CNCCO1)O AK142739 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.6 O=C([C@@H]1NCCCC1)O AK-44408 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.6 O=C([C@@H]1OCCOC1)O AK550289 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.6 O=C([C@H]1CNCCC1)O AK-36729 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.6 O=C([C@H]1CNCCO1)O AK143268 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.6 O=C([C@H]1NCCCC1)O AK-44409 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.6 O=C([C@H]1OCCOC1)O AK167731 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.35 CC(N1CC(N)CC1)=O AK148501 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.35 CC(N1CC(O)CC1)=O AK-83647 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.35 CC(N1C[C@H](N)CC1)=O AK144251 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.35 N1(CC(C(=O)O)CC1)C AK-27826 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.35 O=C(C1CC(N)CC1)O AK-95492 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.35 O=C([C@H]1C[C@@H](N)CC1)O AK159207 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.35 O=C([C@H]1C[C@H](N)CC1)O AK163486 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.69 CN1CCC(N)CC1=O AK100918 [1,0,0,1,0,0|2,0,0]=4 115 B9R1.110 NC(C1CCC1)C(O)=O AK-88091 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.112 O=C(O)[C@@H](N)CC1CC1 AK-46409 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.112 O=C(O)[C@H](N)CC1CC1 AK-44500 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.163 O=C(C1(CCCC1)N)O AK-29341 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.163 O=C(C1(F)CCCC1)O AK319573 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.163 O=C([C@@]1(C)NCCC1)O AK164729 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.163 O=C([C@]1(C)NCCC1)O AK116999 [1,0,0,1,0,0|2,0,0]=4 122 B9R1.163 OC(=O)C1(O)CCCC1 AK-60583 [1,0,0,1,0,0|1,0,0]=3 123 B9R1.1 C(O)C1CCN(C)CC1 AK-10165 [1,0,0,1,0,0|1,0,1]=4 124 B9R1.15 C(C1N(CCCC1)C)O AK-34053 [1,0,0,1,0,0|1,0,0]=3 125 B9R1.15 NCC1N(C)CCCC1 AK150786 [1,0,0,1,0,0|2,0,0]=4 126 B9R1.89 NCC1CCCCCC1 AK110620 [1,0,0,1,0,0|1,0,1]=4 127 B9R1.132 O=C1N(C)CCC1CO AK130651 [1,0,0,1,0,0|1,0,0]=3 128 B9R1.41 O=C([C@@H]1[C@@H](N)CCC1)O AK129335 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.41 O=C([C@H]1NCC[C@H]1O)O AK135074 [1,0,0,1,0,0|2,0,0]=4 130 B11R1.20 CC(=O)NC1CCC(O)CC1 AK109437 [0,0,0,1,0,1|2,0,0]=4 131 B11R1.166 O[C@H]1[C@H](C(C)C)CC[C@@H](C)C1 AK158890 [0,1,0,1,0,0|1,0,1]=4 132 B11R1.727 CC1(C)OCC(C(=O)O)CO1 AK102488 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.22 O=C(C1CCN(C)CC1)OC AK-63407 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.22 O=C(C1CNC(C)CC1)OC AK103663 [0,1,0,1,0,0|1,0,0]=3 135 B11R1.22 O=C([C@H]1CC[C@@H](N)CC1)OC AK156429 [0,1,0,1,0,0|2,0,0]=4 136 B11R1.22 O=C([C@H]1CC[C@H](N)CC1)OC AK-41933 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.22 O=C([C@H]1CC[C@H](N)CC1)OC AK515712 [0,1,0,1,0,0|2,0,0]=4 138 B11R1.22 O=C([C@H]1CC[C@H](O)CC1)OC AK161903 [0,1,0,1,0,0|2,0,0]=4 139 B11R1.222 O=C(C1CNCCC1O)OC AK554356 [0,1,0,1,0,0|1,0,0]=3 140 B11R1.3 CC(N1CCC(NC)CC1)=O AK-75891 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(O)=O AK-87189 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.3 O=C(C1CCC(CC)CC1)O AK-88552 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.3 O=C(C1CCC(CN)CC1)O AK134863 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.3 O=C([C@H]1CC[C@H](CN)CC1)O AK308472 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.3 O=C([C@H]1CC[C@H](OC)CC1)O AK173632 [0,1,0,1,0,0|2,0,0]=4 146 B11R1.199 CCOC(=O)C1COCC1=O AK-82248 [0,1,0,1,0,0|1,0,1]=4 147 B11R0.164 CCCCC(CC)CCC(O)=O AK-60980 [0,0,0,0,0,2|2,0,0]=4