0 B8R0.8 CCCC[C@@H](N)C(O)=O AK-76426 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.8 CCCC[C@H](N)C(N)=O AK170163 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.8 NC(CCSC)C(O)=O AK-81252 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.8 N[C@@H](CCCC)C(O)=O AK-49687 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.8 N[C@@H](CCCN)C(O)=O AK-46743 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.8 O=C(O)[C@@H](N)CCCN AK-44096 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.8 O=C(O)[C@@H](N)CCSC AK-73057 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.8 O=C(O)[C@@H](N)CC[Se]C AK-81303 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.8 O=C([O-])C(O)CCSC AK109150 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.3 C=CC(NCCN)=O AK142923 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.3 CCCCC(NN)=O AK114657 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.3 O=C(OC)CCCBr AK-94853 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.3 O=C(OC)CCNC AK-85857 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.4 CC(OCCCCl)=O AK167628 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.4 COCCCC(O)=O AK-76729 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.4 NC(OCCCC)=O AK116656 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.4 O=C(O)CCCCBr AK113954 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.4 O=C(O)CCCCCl AK139351 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.4 O=C(O)CCCCO AK198817 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.4 O=C(O)\C=C\OCC AK-46090 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.5 CCOC(=O)C(C)N AK-46063 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 CCOC(=O)C(N)=O AK-45440 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.5 O=C(OCC)C(N)=S AK-45462 [1,0,0,0,0,0|2,1,0]=4 29 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [1,0,0,0,0,0|2,0,1]=4 30 B9R0.7 OC(=O)CCC(=O)C(O)=O AK-41634 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.7 [C@H](N)(CCC(C)C)C(O)=O AK-34655 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.8 N[C@@H](CCSC)C(OC)=O AK-46079 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.8 O=C(OC)[C@@H](N)CCCN AK-41688 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.13 CCCCC(CC)C([O-])=O AK159156 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.42 O=C(O)C(CC(OC)=O)=O AK159593 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.47 C(C(=C)C)(=O)NCCCN AK-39332 [0,1,0,0,0,0|2,0,0]=3 37 B9R0.47 C(CC(N)C(O)=O)CCN AK-73020 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.47 CCCCCC(N)C(O)=O AK-87757 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.47 CCCCC[C@@H](N)C(O)=O AK106125 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.47 CCCCC[C@H](N)C(O)=O AK106126 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.47 C[C@H](N)C(OCCCC)=O AK-76562 [0,1,0,0,0,0|1,0,1]=3 42 B9R0.47 NC(CCCCN)C(O)=O AK-81251 [0,1,0,0,0,0|2,0,1]=4 43 B9R0.47 N[C@@H](CCCCN)C(N)=O AK327278 [0,1,0,0,0,0|2,0,1]=4 44 B9R0.47 N[C@H](CCCCN)C(O)=O AK-23885 [0,1,0,0,0,0|2,0,1]=4 45 B9R0.47 O=C(O)[C@@H](N)CCCCN AK-46553 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.47 O=C(O)[C@@H](N)CCCCN AK101731 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.5 CN1CCNCCC1=O AK-63341 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.5 CN1CCNCCC1=O AK-77181 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.5 O=C1N(C)CCCNC1 AK-81379 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.5 O=C1NCCCCC1N AK-77858 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.6 CC(=O)N1CCOCC1 AK-59803 [0,0,0,1,0,0|3,0,0]=4 56 B9R1.6 CC(C1CCCCC1)=O AK110444 [0,0,0,1,0,0|1,0,1]=3 57 B9R1.6 CC(C1CCNCC1)=O AK-76366 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.6 CC(C1CCOCC1)=O AK-58675 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.6 N1CCCC[C@H]1C(=O)O AK-51322 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.6 O=C(C1=CCCCO1)O AK-78816 [0,0,0,1,0,0|1,0,2]=4 61 B9R1.6 O=C(C1CCCCC1)O AK-73017 [0,0,0,1,0,0|2,0,1]=4 62 B9R1.6 O=C(C1NCCCC1)N AK-50709 [0,0,0,1,0,0|2,0,1]=4 63 B9R1.6 O=C(C1NCCCC1)O AK-35539 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.6 O=C(C1NCCCC1)O AK126108 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.6 O=C(N1CCNCC1)C AK-44435 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.6 O=C([C@@H]1NCCCC1)O AK-44408 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.6 O=C([C@H]1NCCCC1)O AK-44409 [0,0,0,1,0,0|2,0,1]=4 68 B9R1.6 OC(=O)C1=CCCCC1 AK-48425 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.35 CC(N1CC(N)CC1)=O AK148501 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.35 CC(N1CC(O)CC1)=O AK-83647 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.35 CC(N1C[C@H](N)CC1)=O AK144251 [0,0,0,1,0,0|3,0,0]=4 72 B9R1.40 O=C1C(C)(C)CNCC1 AK154223 [0,0,0,1,0,0|2,0,1]=4 73 B9R1.69 CN1CCC(N)CC1=O AK100918 [0,0,0,1,0,0|3,0,0]=4 74 B9R1.69 O=C1C(C)CN(C)CC1 AK-31130 [0,0,0,1,0,0|2,0,1]=4 75 B9R1.69 O=C1N(C)C[C@@H](C)NC1 AK188522 [0,0,0,1,0,0|3,0,0]=4 76 B9R1.69 O=C1N(C)C[C@H](C)NC1 AK188521 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.110 NC(C1CCC1)C(O)=O AK-88091 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.112 O=C(O)[C@@H](N)CC1CC1 AK-46409 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.112 O=C(O)[C@H](N)CC1CC1 AK-44500 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.163 O=C(C1(CCCC1)N)O AK-29341 [0,0,0,1,0,0|2,0,1]=4 81 B9R1.163 O=C(C1(F)CCCC1)O AK319573 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.163 OC(=O)C1(O)CCCC1 AK-60583 [0,0,0,1,0,0|1,0,2]=4 83 B6R0.1 CCCC(NN)=O AK-95909 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.1 O=C(OC)CCBr AK-91613 [2,0,0,0,0,0|2,0,0]=4 85 B6R0.1 O=C(OC)CCN AK-46776 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.1 O=C(OC)CCO AK-83355 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.1 O=C(OC)CNC AK-58375 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.1 O=C(OC)OCC AK397345 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.4 CC(CCCCl)=O AK-48368 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.4 CC(OCCBr)=O AK165045 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.4 CCCCC([O-])=O AK163205 [2,0,0,0,0,0|0,0,1]=3 92 B6R0.4 NC(OCCC)=O AK116320 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.4 O=C(O)CCCCl AK113749 [2,0,0,0,0,0|1,0,1]=4 94 B6R0.4 O=C(O)CCCN AK-43987 [2,0,0,0,0,0|1,0,1]=4 95 B6R0.4 O=C(O)CCNC AK155866 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.4 O=C(O)CCOC AK-88477 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.6 C\C=C\CCCO AK-46431 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.6 ClCCCCC=O AK110863 [2,0,0,0,0,0|1,0,1]=4 99 B6R0.6 O=CCCCCO AK-40206 [2,0,0,0,0,0|1,0,1]=4 100 B6R0.3 CC(N(CC)C)=O AK149250 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.3 CCC(=O)C(O)=O AK-48379 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.3 CCC(N(C)C)=O AK105976 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.3 O=C([O-])C(OC)=O AK670985 [2,0,0,0,0,0|2,0,0]=4 104 B8R0.1 CCOC(=O)CCCI AK102411 [1,1,0,0,0,0|1,0,1]=4 105 B8R0.1 CCOC(=O)CCCN AK-47111 [1,1,0,0,0,0|1,0,1]=4 106 B8R0.1 O=C(OCC)CCCBr AK-41609 [1,1,0,0,0,0|1,0,1]=4 107 B8R0.3 O=C(OC)[C@H](N)COC AK174036 [1,1,0,0,0,0|2,0,0]=4 108 B8R0.6 C(Cl)C(=O)NCCCC AK-59895 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.6 C=CC(CCCCC)=O AK164478 [1,1,0,0,0,0|0,0,1]=3 110 B8R0.6 O=C(OC)CCCCBr AK-88540 [1,1,0,0,0,0|1,0,0]=3 111 B8R0.6 O=C(OC)CCCCN AK112995 [1,1,0,0,0,0|1,0,0]=3 112 B8R0.6 O=C(OC)CCCOC AK151485 [1,1,0,0,0,0|1,0,0]=3 113 B8R0.6 O=C(OC)COCCCl AK-44958 [1,1,0,0,0,0|2,0,0]=4 114 B8R0.9 C=CC(OCC(O)C)=O AK110453 [1,1,0,0,0,0|1,0,1]=4 115 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [1,1,0,0,0,0|1,0,1]=4 116 B8R0.19 CCC(CC(CC)=O)=O AK-88511 [1,1,0,0,0,0|0,0,2]=4 117 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [1,1,0,0,0,0|1,0,0]=3 118 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [1,1,0,0,0,0|1,0,1]=4 119 B8R0.7 O=C(O)CCCCCBr AK-35122 [1,1,0,0,0,0|1,0,1]=4 120 B8R0.7 O=C(O)CCCCCN AK144762 [1,1,0,0,0,0|1,0,1]=4 121 B8R0.7 O=C(O)CCCCCO AK-41893 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.7 O=C([O-])CCCCCO AK142914 [1,1,0,0,0,0|1,0,1]=4 123 B8R0.7 OC(=O)CCCCCCl AK-48239 [1,1,0,0,0,0|1,0,1]=4 124 B8R0.21 CS(=O)(OCCCC)=O AK114028 [1,1,0,0,0,0|2,0,0]=4 125 B10R0.18 CCCCC(CC(OC)=O)=O AK105368 [0,1,0,0,0,1|0,0,0]=2 126 B10R0.18 O=C(OC)CC(CCOC)=O AK-78860 [0,1,0,0,0,1|1,0,0]=3 127 B10R0.32 CC(CC(C(OCC)=O)=O)=O AK-49984 [0,1,0,0,0,1|1,0,1]=4 128 B10R0.44 CC(CC(CC(OC)=O)=O)=O AK-89583 [0,1,0,0,0,1|1,0,1]=4 129 B10R0.19 O=C(C(=O)OCC)CCCC AK-46512 [0,2,0,0,0,0|0,0,0]=2 130 B10R0.83 C=C(C#N)C(OCCCC)=O AK162172 [0,2,0,0,0,0|1,0,1]=4 131 B10R0.83 O=C(OC)[C@@H](N)CCCCN AK-81274 [0,2,0,0,0,0|1,0,1]=4 132 B10R0.83 O=C(OC)[C@H](N)CCCCN AK101735 [0,2,0,0,0,0|1,0,1]=4 133 B8R1.3 CN1CCC(=O)CC1 AK-39177 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.3 O=C1CCC(N)CC1 AK-46313 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.3 O=C1NCC(N)CC1 AK132996 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.3 O=C1NCC(O)CC1 AK-54796 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.3 OC1CCC(=O)CC1 AK-46440 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.5 FC1CCCCC1=O AK-79364 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.5 NC1CCCCC1=O AK110393 [1,0,0,1,0,0|1,0,1]=4 142 B8R1.5 O=C1C(C)CNCC1 AK-35717 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.5 O=C1C(C)CNCC1 AK-44679 [1,0,0,1,0,0|1,0,1]=4 144 B8R1.5 O=C1C(CCCC1)=O AK-46655 [1,0,0,1,0,0|0,0,0]=2 145 B8R1.5 O=C1N(C)CCNC1 AK-38983 [1,0,0,1,0,0|2,0,0]=4 146 B8R1.5 O=C1N(N)CCCC1 AK132922 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.22 N1CCCC(CC1)=O AK-26041 [1,0,0,1,0,0|1,0,1]=4 148 B8R1.22 O=C1C=CCCCC1 AK-88461 [1,0,0,1,0,0|0,0,1]=3 149 B8R1.22 O=C1CNCCCN1 AK-94980 [1,0,0,1,0,0|2,0,0]=4 150 B8R1.22 O=C1NCCNCC1 AK-25582 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.22 O=C1NCCOCC1 AK158455 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.22 O=C1OCCCCC1 AK164169 [1,0,0,1,0,0|1,0,0]=3 153 B8R1.38 N1CC(C1)C(=O)OC AK-38972 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.38 O=C(C1NCC1)OC AK-83806 [1,0,0,1,0,0|2,0,0]=4 155 B8R1.50 CC=1CCC(C1O)=O AK103328 [1,0,0,1,0,0|0,0,2]=4 156 B8R1.4 CN1CCOC(=O)C1 AK-33826 [1,0,0,1,0,0|2,0,0]=4 157 B8R1.4 NC1CCNC(C1)=O AK-26117 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.4 O=C1CC(C)NCC1 AK-45778 [1,0,0,1,0,0|1,0,1]=4 159 B8R1.4 O=C1NCCC(O)C1 AK-27778 [1,0,0,1,0,0|2,0,0]=4 160 B8R1.4 O=C1NCCN(C)C1 AK-77137 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [1,0,0,1,0,0|2,0,0]=4 162 B8R1.7 O=C(C1=CCCC1)O AK-33463 [1,0,0,1,0,0|1,0,1]=4 163 B8R1.7 O=C(C1CCCC1)O AK-39169 [1,0,0,1,0,0|1,0,1]=4 164 B8R1.34 CC(OC1CNC1)=O AK-71497 [1,0,0,1,0,0|2,0,0]=4 165 B8R1.34 CC(OC1CNC1)=O AK208566 [1,0,0,1,0,0|2,0,0]=4 166 B8R1.34 O=C(O)CC1CCC1 AK-76669 [1,0,0,1,0,0|1,0,1]=4 167 B8R1.54 OC(=O)C(=O)C1CC1 AK110685 [1,0,0,1,0,0|1,0,0]=3 168 B10R1.18 O=C(O)CC1=CCCCC1 AK-33815 [0,0,0,1,0,1|2,0,0]=4 169 B10R1.130 CCCC1=C(O)OC(=O)C1 AK103363 [0,0,0,1,0,1|0,0,2]=4 170 B10R1.23 CC(N(C)[C@@H]1CNCC1)=O AK340554 [0,1,0,1,0,0|2,0,0]=4 171 B10R1.34 O=C1OC(CC)C(C)=C1O AK115095 [0,1,0,1,0,0|1,0,1]=4 172 B10R1.13 CC(N1CCC(N)CC1)=O AK109930 [0,1,0,1,0,0|2,0,0]=4 173 B10R1.15 COC(=O)C1=CCCCC1 AK-89355 [0,1,0,1,0,0|1,0,0]=3 174 B10R1.15 COC(=O)C1=CCOCC1 AK-32760 [0,1,0,1,0,0|2,0,0]=4 175 B10R1.15 COC(=O)C1CCCCN1 AK-75909 [0,1,0,1,0,0|1,0,1]=4 176 B10R1.15 COC(=O)C1CCCCO1 AK-82436 [0,1,0,1,0,0|0,0,2]=4 177 B10R1.15 COC(=O)[C@H]1CCCCN1 AK-44845 [0,1,0,1,0,0|1,0,1]=4 178 B10R1.15 ClCC(N1CCCCC1)=O AK115226 [0,1,0,1,0,0|2,0,0]=4 179 B10R1.15 N1CCCC[C@@H]1C(=O)OC AK-29738 [0,1,0,1,0,0|1,0,1]=4 180 B10R1.15 NCC(N1CCCCC1)=O AK389192 [0,1,0,1,0,0|2,0,0]=4 181 B10R1.15 O=C(C1NCCCC1)OC AK-41701 [0,1,0,1,0,0|1,0,1]=4 182 B10R1.15 O=[C@]([C@H]1NCCCC1)OC AK-33856 [0,1,0,1,0,0|1,0,1]=4 183 B10R1.411 O=C(C1(N)CCCC1)OC AK-44021 [0,1,0,1,0,0|1,0,1]=4 184 B10R1.348 CC(=O)N1CCCNCC1 AK-24088 [0,1,0,1,0,0|2,0,0]=4 185 B10R2.62 O=C1C2CCC(CC2)C1 AK144709 [0,0,0,2,0,0|1,0,1]=4 186 B10R0.78 O=C(C)CCC(OCCC)=O AK326213 [0,0,0,0,0,2|1,0,0]=3