0 B8R0.8 CC#CC[C@H](N)C(O)=O AK130681 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.8 CCCC[C@@H](N)C(O)=O AK-76426 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.8 CCCC[C@H](N)C(N)=O AK170163 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.8 NC(CCSC)C(O)=O AK-81252 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.8 N[C@@H](CCCC)C(O)=O AK-49687 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.8 N[C@@H](CCCN)C(O)=O AK-46743 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.8 O=C(O)[C@@H](N)CCCN AK-44096 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.8 O=C(O)[C@@H](N)CCSC AK-73057 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.8 O=C(O)[C@@H](N)CC[Se]C AK-81303 [0,0,0,0,0,0|0,1,0]=1 9 B8R0.8 O=C([O-])C(O)CCSC AK109150 [0,0,0,0,0,0|1,0,1]=2 10 B7R0.3 CCCCC(O)CO AK161793 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.3 N[C@@H](CCSC)CO AK-81277 [1,0,0,0,0,0|0,0,1]=2 12 B7R0.4 C#CCCCC(O)=O AK112298 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.4 C(CCC#N)C(O)=O AK-40359 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.4 CCCCCB(O)O AK-46118 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.4 COCCCC(O)=O AK-76729 [1,0,0,0,0,0|0,1,0]=2 16 B7R0.4 NC(OCCCC)=O AK116656 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.4 O=C(O)CCCCBr AK113954 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.4 O=C(O)CCCCCl AK139351 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.4 O=C(O)CCCCO AK198817 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.5 C#CCC(N)C(O)=O AK323755 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.5 C#CC[C@@H](N)C(O)=O AK107685 [1,0,0,0,0,0|0,0,2]=3 22 B7R0.5 C#CC[C@@H](N)C(O)=O AK158803 [1,0,0,0,0,0|0,0,2]=3 23 B7R0.5 C#CC[C@H](N)C(O)=O AK-93444 [1,0,0,0,0,0|0,0,2]=3 24 B7R0.5 C#CC[C@H](N)C(O)=O AK110719 [1,0,0,0,0,0|0,0,2]=3 25 B7R0.5 C=CC[C@@H](N)C(O)=O AK-26105 [1,0,0,0,0,0|0,0,2]=3 26 B7R0.5 C=CC[C@@H](N)C(O)=O AK-70926 [1,0,0,0,0,0|0,0,2]=3 27 B7R0.5 C=CC[C@H](N)C(O)=O AK-49452 [1,0,0,0,0,0|0,0,2]=3 28 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [1,0,0,0,0,0|0,0,0]=1 29 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.5 COCC(N)C(O)=O AK-87739 [1,0,0,0,0,0|0,1,0]=2 31 B7R0.5 NC(CCO)C(O)=O AK-41514 [1,0,0,0,0,0|0,1,0]=2 32 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [1,0,0,0,0,0|0,1,0]=2 33 B7R0.5 O=C(O)C(N)CCN AK-44002 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.5 O=C(O)C(O)CCN AK-75839 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [1,0,0,0,0,0|0,1,0]=2 37 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [1,0,0,0,0,0|0,1,0]=2 39 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [1,0,0,0,0,0|0,1,0]=2 40 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [1,0,0,0,0,0|0,1,0]=2 41 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [1,0,0,0,0,0|0,1,0]=2 42 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [1,0,0,0,0,0|0,0,0]=1 43 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [1,0,0,0,0,0|0,0,0]=1 44 B9R0.7 C(C(C(O)=O)N)CC(N)=O AK-44182 [0,1,0,0,0,0|2,0,0]=3 45 B9R0.7 NC(CCC(O)=O)C(O)=O AK-44032 [0,1,0,0,0,0|2,0,0]=3 46 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O AK-81265 [0,1,0,0,0,0|2,0,0]=3 47 B9R0.7 N[C@H](CCC(N)=O)C(O)=O AK-44181 [0,1,0,0,0,0|2,0,0]=3 48 B9R0.7 O=C(O)[C@@H](N)CCC(O)=O AK-44364 [0,1,0,0,0,0|2,0,0]=3 49 B9R0.7 O=C(O)[C@@H](N)CCS(C)=O AK-78295 [0,1,0,0,0,0|0,0,1]=2 50 B9R0.7 O=C(O)[C@@H](N)COC(C)=O AK124368 [0,1,0,0,0,0|2,0,0]=3 51 B9R0.7 O=C(O)[C@H](N)CCC(O)=O AK-47369 [0,1,0,0,0,0|2,0,0]=3 52 B9R0.7 [C@H](N)(CCC(C)C)C(O)=O AK-34655 [0,1,0,0,0,0|1,0,0]=2 53 B9R0.8 N[C@@H](CCSC)C(OC)=O AK-46079 [0,1,0,0,0,0|0,0,0]=1 54 B9R0.8 O=C(OC)[C@@H](N)CCCN AK-41688 [0,1,0,0,0,0|2,0,0]=3 55 B9R0.13 CCCCC(CC)C([O-])=O AK159156 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.42 O=C(O)C(N)CC(OC)=O AK109363 [0,1,0,0,0,0|0,1,1]=3 57 B9R0.42 O=C(O)[C@@H](N)CC(OC)=O AK-48824 [0,1,0,0,0,0|0,1,1]=3 58 B9R0.42 O=C(O)[C@H](C)CC(OC)=O AK-93758 [0,1,0,0,0,0|1,1,1]=4 59 B9R0.42 O=C(O)[C@H](N)CC(OC)=O AK112678 [0,1,0,0,0,0|0,1,1]=3 60 B9R0.42 [C@@H](N)(CC(=O)OC)C(O)=O AK-43922 [0,1,0,0,0,0|0,1,1]=3 61 B9R0.47 C(CC(N)C(O)=O)CCN AK-73020 [0,1,0,0,0,0|1,0,0]=2 62 B9R0.47 CCCCCC(N)C(O)=O AK-87757 [0,1,0,0,0,0|1,0,0]=2 63 B9R0.47 CCCCC[C@@H](N)C(O)=O AK106125 [0,1,0,0,0,0|1,0,0]=2 64 B9R0.47 CCCCC[C@H](N)C(O)=O AK106126 [0,1,0,0,0,0|1,0,0]=2 65 B9R0.47 NC(CCCCN)C(O)=O AK-81251 [0,1,0,0,0,0|1,0,0]=2 66 B9R0.47 N[C@@H](CCCCN)C(N)=O AK327278 [0,1,0,0,0,0|2,0,0]=3 67 B9R0.47 N[C@H](CCCCN)C(O)=O AK-23885 [0,1,0,0,0,0|1,0,0]=2 68 B9R0.47 O=C(O)[C@@H](N)CCCCN AK-46553 [0,1,0,0,0,0|1,0,0]=2 69 B9R0.47 O=C(O)[C@@H](N)CCCCN AK101731 [0,1,0,0,0,0|1,0,0]=2 70 B9R0.47 O=C(O)[C@@H](N)CSCC=C AK106112 [0,1,0,0,0,0|1,0,1]=3 71 B9R0.47 O=C(O)[C@H](N)CSCC=C AK106122 [0,1,0,0,0,0|1,0,1]=3 72 B9R1.5 O=C1NCCCCC1N AK-77858 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,0,0,1,0,0|2,0,0]=3 74 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.6 CC(C1CCCCC1)=O AK110444 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.6 CC(C1CCNCC1)=O AK-76366 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.6 CC(C1CCOCC1)=O AK-58675 [0,0,0,1,0,0|2,1,0]=4 79 B9R1.6 N1CCCC[C@H]1C(=O)O AK-51322 [0,0,0,1,0,0|1,0,0]=2 80 B9R1.6 N1CCNC[C@@H]1C(=O)O AK-46417 [0,0,0,1,0,0|2,0,0]=3 81 B9R1.6 N1CCNC[C@H]1C(=O)O AK-33494 [0,0,0,1,0,0|2,0,0]=3 82 B9R1.6 O1CCC(CC1)C(=O)O AK-23928 [0,0,0,1,0,0|1,1,0]=3 83 B9R1.6 O=C(C1CCCCC1)O AK-73017 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.6 O=C(C1CCNCC1)N AK-25908 [0,0,0,1,0,0|3,0,0]=4 85 B9R1.6 O=C(C1CCNCC1)N AK-65946 [0,0,0,1,0,0|3,0,0]=4 86 B9R1.6 O=C(C1CCNCC1)O AK-47605 [0,0,0,1,0,0|2,0,0]=3 87 B9R1.6 O=C(C1CCOCC1)N AK-90382 [0,0,0,1,0,0|2,1,0]=4 88 B9R1.6 O=C(C1CNCCC1)O AK-35333 [0,0,0,1,0,0|3,0,0]=4 89 B9R1.6 O=C(C1CNCCN1)O AK-44180 [0,0,0,1,0,0|2,0,0]=3 90 B9R1.6 O=C(C1COCCC1)O AK-65298 [0,0,0,1,0,0|3,0,0]=4 91 B9R1.6 O=C(C1NCCCC1)N AK-50709 [0,0,0,1,0,0|2,0,0]=3 92 B9R1.6 O=C(C1NCCCC1)O AK-35539 [0,0,0,1,0,0|1,0,0]=2 93 B9R1.6 O=C(C1NCCCC1)O AK126108 [0,0,0,1,0,0|1,0,0]=2 94 B9R1.6 O=C(C1NCCNC1)O AK-34591 [0,0,0,1,0,0|2,0,0]=3 95 B9R1.6 O=C(C1NCCOC1)O AK-53947 [0,0,0,1,0,0|2,0,0]=3 96 B9R1.6 O=C(C1SCCCN1)O AK164034 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.6 O=C([C@@H]1CC=CCC1)O AK130960 [0,0,0,1,0,0|2,0,1]=4 98 B9R1.6 O=C([C@@H]1CNCCC1)O AK-37130 [0,0,0,1,0,0|3,0,0]=4 99 B9R1.6 O=C([C@@H]1CNCCO1)O AK142739 [0,0,0,1,0,0|3,0,0]=4 100 B9R1.6 O=C([C@@H]1NCCCC1)O AK-44408 [0,0,0,1,0,0|1,0,0]=2 101 B9R1.6 O=C([C@@H]1NCCOC1)O AK162039 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.6 O=C([C@@H]1OCCOC1)O AK550289 [0,0,0,1,0,0|3,0,0]=4 103 B9R1.6 O=C([C@H]1CC=CCC1)O AK-77496 [0,0,0,1,0,0|2,0,1]=4 104 B9R1.6 O=C([C@H]1CNCCC1)O AK-36729 [0,0,0,1,0,0|3,0,0]=4 105 B9R1.6 O=C([C@H]1CNCCN1)N AK174403 [0,0,0,1,0,0|3,0,0]=4 106 B9R1.6 O=C([C@H]1CNCCO1)O AK143268 [0,0,0,1,0,0|3,0,0]=4 107 B9R1.6 O=C([C@H]1NCCCC1)O AK-44409 [0,0,0,1,0,0|1,0,0]=2 108 B9R1.6 O=C([C@H]1NCCNC1)N AK174402 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.6 O=C([C@H]1NCCOC1)O AK-32781 [0,0,0,1,0,0|2,0,0]=3 110 B9R1.6 O=C([C@H]1NCCOC1)O AK109013 [0,0,0,1,0,0|2,0,0]=3 111 B9R1.6 O=C([C@H]1OCCOC1)O AK167731 [0,0,0,1,0,0|3,0,0]=4 112 B9R1.6 OC(=O)C1=CCCCC1 AK-48425 [0,0,0,1,0,0|2,0,1]=4 113 B9R1.6 OC(=O)C1CCC=CC1 AK-33140 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.35 N1(CC(C(=O)O)CC1)C AK-27826 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.35 O=C(C1CC(N)CC1)O AK-95492 [0,0,0,1,0,0|3,0,0]=4 116 B9R1.35 O=C(C1CCC(N1)=O)O AK-41431 [0,0,0,1,0,0|2,0,0]=3 117 B9R1.35 O=C(C1CCC(O1)=O)O AK154758 [0,0,0,1,0,0|3,0,0]=4 118 B9R1.35 O=C([C@@H]1CC(CC1)=O)O AK100868 [0,0,0,1,0,0|3,0,0]=4 119 B9R1.35 O=C([C@@H]1CCC(N1)=O)O AK-61177 [0,0,0,1,0,0|2,0,0]=3 120 B9R1.35 O=C([C@H]1CC(CC1)=O)O AK-99964 [0,0,0,1,0,0|3,0,0]=4 121 B9R1.35 O=C([C@H]1CCC(N1)=O)O AK-46027 [0,0,0,1,0,0|2,0,0]=3 122 B9R1.35 O=C([C@H]1CCC(O1)=O)O AK-39191 [0,0,0,1,0,0|3,0,0]=4 123 B9R1.35 O=C([C@H]1C[C@@H](N)CC1)O AK159207 [0,0,0,1,0,0|3,0,0]=4 124 B9R1.35 O=C([C@H]1C[C@H](N)CC1)O AK163486 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.35 O=C([C@H]1NC(SC1)=O)O AK-30315 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.35 O=C1CC(CC1)C(=O)O AK-31826 [0,0,0,1,0,0|3,0,0]=4 127 B9R1.69 C1C(N)C(=O)NC(=O)C1 AK-46561 [0,0,0,1,0,0|3,0,0]=4 128 B9R1.110 NC(C1CCC1)C(O)=O AK-88091 [0,0,0,1,0,0|1,0,0]=2 129 B9R1.112 O=C(O)[C@@H](N)CC1CC1 AK-46409 [0,0,0,1,0,0|1,0,0]=2 130 B9R1.112 O=C(O)[C@H](N)CC1CC1 AK-44500 [0,0,0,1,0,0|1,0,0]=2 131 B9R1.163 O=C(C1(CCCC1)N)O AK-29341 [0,0,0,1,0,0|1,0,0]=2 132 B9R1.163 O=C(C1(F)CCCC1)O AK319573 [0,0,0,1,0,0|2,0,0]=3 133 B9R1.163 O=C([C@@]1(C)NCCC1)O AK164729 [0,0,0,1,0,0|3,0,0]=4 134 B9R1.163 O=C([C@]1(C)NCCC1)O AK116999 [0,0,0,1,0,0|3,0,0]=4 135 B9R1.163 OC(=O)C1(O)CCCC1 AK-60583 [0,0,0,1,0,0|2,0,0]=3 136 B9R0.4 O=C(O)C[C@@H](N)CCSC AK486956 [0,0,0,0,0,1|0,0,0]=1 137 B6R0.1 CCC[C@H](N)CO AK-81386 [2,0,0,0,0,0|0,0,1]=3 138 B6R0.4 CC(CCCCl)=O AK-48368 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.4 CCCCB(O)O AK-44016 [2,0,0,0,0,0|1,0,1]=4 140 B6R0.4 CCCCC([O-])=O AK163205 [2,0,0,0,0,0|0,0,1]=3 141 B6R0.4 NC(OCCC)=O AK116320 [2,0,0,0,0,0|2,0,0]=4 142 B6R0.4 O=C(O)CCC#N AK-47909 [2,0,0,0,0,0|1,0,1]=4 143 B6R0.4 O=C(O)CCCCl AK113749 [2,0,0,0,0,0|1,0,0]=3 144 B6R0.4 O=C(O)CCCN AK-43987 [2,0,0,0,0,0|1,0,0]=3 145 B6R0.4 O=C(O)CCNC AK155866 [2,0,0,0,0,0|1,0,0]=3 146 B6R0.4 O=C(O)CCOC AK-88477 [2,0,0,0,0,0|0,1,0]=3 147 B6R0.4 OC(=O)CCC#C AK-32594 [2,0,0,0,0,0|0,0,2]=4 148 B6R0.6 ClCCCCC=O AK110863 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.6 O=CCCCCO AK-40206 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.6 OCCCCNC AK112657 [2,0,0,0,0,0|1,0,1]=4 151 B6R0.3 C(=O)([C@H](N)CS)O AK-51501 [2,0,0,0,0,0|0,0,0]=2 152 B6R0.3 C(C(C(O)=O)N)O AK-46543 [2,0,0,0,0,0|0,1,0]=3 153 B6R0.3 C(C(N)C(O)=O)C AK-46591 [2,0,0,0,0,0|0,0,0]=2 154 B6R0.3 C(S)C(N)C(O)=O AK-73021 [2,0,0,0,0,0|0,0,0]=2 155 B6R0.3 CCC(=O)C(O)=O AK-48379 [2,0,0,0,0,0|1,0,1]=4 156 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [2,0,0,0,0,0|1,0,0]=3 157 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [2,0,0,0,0,0|0,0,0]=2 158 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [2,0,0,0,0,0|1,0,0]=3 159 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [2,0,0,0,0,0|0,0,0]=2 160 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [2,0,0,0,0,0|1,0,0]=3 161 B6R0.3 COC(C)C(O)=O AK-49797 [2,0,0,0,0,0|1,1,0]=4 162 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [2,0,0,0,0,0|2,0,0]=4 163 B6R0.3 C[C@H](NC)C(O)=O AK134597 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.3 C[C@H](OC)C(O)=O AK167072 [2,0,0,0,0,0|1,1,0]=4 165 B6R0.3 NC(CO)C(O)=O AK-41368 [2,0,0,0,0,0|0,1,0]=3 166 B6R0.3 N[C@@H](CO)C(N)=O AK-81285 [2,0,0,0,0,0|1,1,0]=4 167 B6R0.3 N[C@@H](CS)C(O)=O AK-48312 [2,0,0,0,0,0|0,0,0]=2 168 B6R0.3 N[C@@H](CS)C(O)=O AK-49861 [2,0,0,0,0,0|0,0,0]=2 169 B6R0.3 N[C@H](CN)C(O)=O AK-31407 [2,0,0,0,0,0|1,0,0]=3 170 B6R0.3 O=C(O)C(C)CBr AK116257 [2,0,0,0,0,0|2,0,0]=4 171 B6R0.3 O=C(O)C(N)CN AK-44800 [2,0,0,0,0,0|1,0,0]=3 172 B6R0.3 O=C(O)C(O)CO AK114312 [2,0,0,0,0,0|1,1,0]=4 173 B6R0.3 O=C(O)[C@@H](N)CN AK-25439 [2,0,0,0,0,0|1,0,0]=3 174 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [2,0,0,0,0,0|0,1,0]=3 175 B6R0.3 O=C(O)[C@@H](N)CS AK-61915 [2,0,0,0,0,0|0,0,0]=2 176 B6R0.3 O=C(O)[C@@H](O)CN AK-75855 [2,0,0,0,0,0|2,0,0]=4 177 B6R0.3 O=C(O)[C@H](N)CCl AK-90315 [2,0,0,0,0,0|1,0,0]=3 178 B6R0.3 O=C(O)[C@H](N)CCl AK122809 [2,0,0,0,0,0|1,0,0]=3 179 B6R0.3 O=C(O)[C@H](N)CS AK175126 [2,0,0,0,0,0|0,0,0]=2 180 B8R0.6 OC[C@@H](N)CCCCN AK165144 [1,1,0,0,0,0|1,0,1]=4 181 B8R0.5 C=CC[C@@H](N)CC(O)=O AK111359 [1,1,0,0,0,0|1,0,1]=4 182 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [1,1,0,0,0,0|1,0,0]=3 183 B8R0.7 C#CCCCCC(O)=O AK-40047 [1,1,0,0,0,0|1,0,1]=4 184 B8R0.7 O=C(O)CCCCCBr AK-35122 [1,1,0,0,0,0|1,0,0]=3 185 B8R0.7 O=C(O)CCCCCN AK144762 [1,1,0,0,0,0|1,0,0]=3 186 B8R0.7 O=C(O)CCCCCO AK-41893 [1,1,0,0,0,0|1,0,0]=3 187 B8R0.7 O=C(O)COCCOC AK-33517 [1,1,0,0,0,0|0,1,0]=3 188 B8R0.7 O=C([O-])CCCCCO AK142914 [1,1,0,0,0,0|1,0,1]=4 189 B8R0.7 OC(=O)CCCCCCl AK-48239 [1,1,0,0,0,0|1,0,0]=3 190 B8R0.28 O=C(O)CCCC(O)=O AK114297 [1,1,0,0,0,0|2,0,0]=4 191 B8R0.28 O=C(O)CCCN(C)C AK-50053 [1,1,0,0,0,0|1,0,0]=3 192 B8R0.2 CC[C@H](C)[C@@H](N)C(O)=O AK-72869 [1,1,0,0,0,0|0,0,0]=2 193 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O AK-41239 [1,1,0,0,0,0|1,0,0]=3 194 B8R0.2 N[C@@H]([C@@H](C)CC)C(O)=O AK-50075 [1,1,0,0,0,0|0,0,0]=2 195 B8R0.2 N[C@@H]([C@H](OC)C)C(O)=O AK-41699 [1,1,0,0,0,0|0,1,0]=3 196 B8R0.23 C(C(C(O)=O)N)C(C)C AK-47516 [1,1,0,0,0,0|0,0,0]=2 197 B8R0.23 CC(C)C[C@@H](O)C(O)=O AK-90931 [1,1,0,0,0,0|1,0,0]=3 198 B8R0.23 CC(C)C[C@H](Br)C(O)=O AK549141 [1,1,0,0,0,0|1,0,0]=3 199 B8R0.23 CC(C)C[C@H](N)C(O)=O AK-81271 [1,1,0,0,0,0|0,0,0]=2 200 B8R0.23 CC(C)C[C@H](O)C(O)=O AK-58745 [1,1,0,0,0,0|1,0,0]=3 201 B8R0.23 NC(CC(N)=O)C(O)=O AK-44638 [1,1,0,0,0,0|0,1,1]=4 202 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK-81270 [1,1,0,0,0,0|1,0,0]=3 203 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK325911 [1,1,0,0,0,0|1,0,0]=3 204 B8R0.23 N[C@@H](CC(O)=O)C(O)=O AK-81235 [1,1,0,0,0,0|0,1,1]=4 205 B8R0.23 N[C@H](CC(C)C)C(O)=O AK-49689 [1,1,0,0,0,0|0,0,0]=2 206 B8R0.23 N[C@H](CC(N)=O)C(=O)O AK-54079 [1,1,0,0,0,0|0,1,1]=4 207 B8R0.23 N[C@H](CC(O)=O)C(O)=O AK-47468 [1,1,0,0,0,0|0,1,1]=4 208 B8R0.23 O=C(O)[C@@H](N)CC(N)=O AK143332 [1,1,0,0,0,0|0,1,1]=4 209 B10R0.96 O=C(O)CC(N)CCC(O)=O AK-45967 [0,1,0,0,0,1|2,0,0]=4 210 B10R0.13 C[C@@H](OC(C)=O)[C@H](N)C(O)=O AK-59968 [0,2,0,0,0,0|2,0,0]=4 211 B10R0.57 O=C(O)CC[C@@H](N)C(OC)=O AK153988 [0,2,0,0,0,0|2,0,0]=4 212 B10R0.57 O=C(O)CC[C@H](N)C(OC)=O AK-80443 [0,2,0,0,0,0|2,0,0]=4 213 B10R0.82 C(CC(OC)=O)C(C(O)=O)N AK-46710 [0,2,0,0,0,0|0,1,0]=3 214 B10R0.82 [C@@H](N)(CCC(=O)OC)C(O)=O AK-41035 [0,2,0,0,0,0|0,1,0]=3 215 B10R0.92 CC(SC[C@H](C(O)=O)N)(C)C AK327486 [0,2,0,0,0,0|2,0,0]=4 216 B10R0.92 [C@@H](N)(COC(C)(C)C)C(O)=O AK-81262 [0,2,0,0,0,0|2,0,0]=4 217 B10R0.92 [C@H](N)(COC(C)(C)C)C(O)=O AK-41508 [0,2,0,0,0,0|2,0,0]=4 218 B10R0.46 N[C@@H](CC(OC)=O)C(OC)=O AK-41631 [0,2,0,0,0,0|0,1,1]=4 219 B10R0.46 O=C(OC)C(N)CC(OC)=O AK170024 [0,2,0,0,0,0|0,1,1]=4 220 B10R0.46 O=C(OC)[C@H](N)CC(OC)=O AK-50044 [0,2,0,0,0,0|0,1,1]=4 221 B10R0.83 O=C(OC)[C@@H](N)CCCCN AK-81274 [0,2,0,0,0,0|1,0,0]=3 222 B10R0.83 O=C(OC)[C@H](N)CCCCN AK101735 [0,2,0,0,0,0|1,0,0]=3 223 B10R0.75 CCCCCCC(N)C(O)=O AK-87750 [0,2,0,0,0,0|1,0,0]=3 224 B10R0.75 CCCCCC[C@H](N)C(O)=O AK-87751 [0,2,0,0,0,0|1,0,0]=3 225 B10R0.75 O=C(O)[C@@H](N)CSCCCO AK-39669 [0,2,0,0,0,0|1,0,0]=3 226 B10R0.98 O=C(O)[C@H](N)CCCC(O)=O AK-44090 [0,2,0,0,0,0|1,0,1]=4 227 B8R1.2 OCC1NCCCC1 AK-47618 [1,0,0,1,0,0|1,0,1]=4 228 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [1,0,0,1,0,0|1,0,1]=4 229 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [1,0,0,1,0,0|1,0,1]=4 230 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [1,0,0,1,0,0|1,0,1]=4 231 B8R1.5 FC1CCCCC1=O AK-79364 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.5 NC1CCCCC1=O AK110393 [1,0,0,1,0,0|1,0,0]=3 233 B8R1.5 NC1CCCNC1=O AK-32522 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [1,0,0,1,0,0|1,0,1]=4 235 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [1,0,0,1,0,0|1,0,1]=4 236 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [1,0,0,1,0,0|1,0,1]=4 237 B8R1.5 O=C1N(N)CCCC1 AK132922 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.5 O=C1NCCCC1N AK-58866 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.5 OC1C(N)CCCC1 AK116055 [1,0,0,1,0,0|1,0,1]=4 241 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [1,0,0,1,0,0|1,0,1]=4 242 B8R1.5 O[C@H]1COCC[C@@H]1N AK172298 [1,0,0,1,0,0|0,1,1]=4 243 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [1,0,0,1,0,0|1,0,1]=4 244 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [1,0,0,1,0,0|1,0,1]=4 245 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.7 O=C(C1CC=CC1)O AK-36334 [1,0,0,1,0,0|1,0,1]=4 248 B8R1.7 O=C(C1CCCC1)O AK-39169 [1,0,0,1,0,0|1,0,0]=3 249 B8R1.7 O=C(C1COCC1)O AK-44786 [1,0,0,1,0,0|0,1,0]=3 250 B8R1.7 O=C(C1NCOC1)O AK118758 [1,0,0,1,0,0|1,1,0]=4 251 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [1,0,0,1,0,0|2,0,0]=4 252 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [1,0,0,1,0,0|2,0,0]=4 253 B8R1.7 O=C([C@H]1COCC1)O AK-30108 [1,0,0,1,0,0|0,1,0]=3 254 B8R1.7 O=C([C@H]1NCSC1)O AK-77692 [1,0,0,1,0,0|1,0,0]=3 255 B8R1.7 O=[C@@]([C@@H]1CNCC1)O AK-74153 [1,0,0,1,0,0|1,0,0]=3 256 B8R1.7 OC(=O)C1CCCN1 AK-54077 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.7 OC(=O)C1CCCO1 AK-60899 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.7 OC(=O)[C@@H]1CCNC1 AK-29667 [1,0,0,1,0,0|1,0,0]=3 259 B8R1.7 OC(=O)[C@H]1CCNC1 AK-73148 [1,0,0,1,0,0|1,0,0]=3 260 B8R1.7 OC(=O)[C@H]1CSCN1 AK-78160 [1,0,0,1,0,0|1,0,0]=3 261 B8R1.34 O=C(O)CC1CCC1 AK-76669 [1,0,0,1,0,0|1,0,0]=3 262 B8R1.23 O=C(C1CC(N1)=O)O AK-40842 [1,0,0,1,0,0|0,1,1]=4 263 B8R1.23 O=C(C1CC(O)C1)O AK-51692 [1,0,0,1,0,0|1,1,0]=4 264 B8R1.23 O=C(C1CN(C)C1)O AK-67585 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.23 O=C([C@H]1C[C@@H](N)C1)O AK-29496 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O AK-67699 [1,0,0,1,0,0|1,1,0]=4 267 B8R1.23 O=C([C@H]1C[C@H](O)C1)O AK129703 [1,0,0,1,0,0|1,1,0]=4 268 B8R1.54 O=C(O)[C@@H](N)C1CC1 AK-44348 [1,0,0,1,0,0|0,0,0]=2 269 B8R1.54 OC(=O)C(=O)C1CC1 AK110685 [1,0,0,1,0,0|1,0,1]=4 270 B8R1.78 NC1(CCC1)C(=O)O AK-40099 [1,0,0,1,0,0|0,0,0]=2 271 B8R1.78 O=C(C1(C)CCC1)O AK-78655 [1,0,0,1,0,0|1,0,0]=3 272 B8R1.78 O=C(C1(C)COC1)O AK-57023 [1,0,0,1,0,0|1,1,0]=4 273 B10R1.18 O=C(O)CC1CCCCC1 AK-41373 [0,0,0,1,0,1|2,0,0]=4 274 B10R1.18 O=C(O)CC1CCNCC1 AK-35393 [0,0,0,1,0,1|2,0,0]=4 275 B10R1.18 O=C(O)CC1CCOCC1 AK-44841 [0,0,0,1,0,1|1,1,0]=4 276 B10R1.18 O=C(O)CC1NCCOC1 AK-65808 [0,0,0,1,0,1|2,0,0]=4 277 B10R1.61 OC1CCCCC1C(=O)O AK-35836 [0,0,0,1,0,1|2,0,0]=4 278 B10R1.23 O=C(O)C(N)C1CCCC1 AK-88092 [0,1,0,1,0,0|1,0,0]=3 279 B10R1.23 O=C(O)[C@@H](N)C1CCCC1 AK-24337 [0,1,0,1,0,0|1,0,0]=3 280 B10R1.23 O=C(O)[C@H](N)C1CCCC1 AK-87854 [0,1,0,1,0,0|1,0,0]=3 281 B10R1.13 CN1CCC(CC1)C(O)=O AK-48466 [0,1,0,1,0,0|2,0,0]=4 282 B10R1.13 C[C@H]1CC[C@@H](CC1)C(O)=O AK-45247 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.13 N[C@H]1CC[C@@H](CC1)C(O)=O AK-29230 [0,1,0,1,0,0|2,0,0]=4 284 B10R1.13 N[C@H]1CC[C@H](CC1)C(O)=O AK-41665 [0,1,0,1,0,0|2,0,0]=4 285 B10R1.13 O=C(C1CCC(C)CC1)O AK164489 [0,1,0,1,0,0|2,0,0]=4 286 B10R1.13 O=C(C1CCC(CC1)=O)O AK107691 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.13 O=C(C1CCN(C)CC1)O AK-47579 [0,1,0,1,0,0|2,0,0]=4 288 B10R1.13 O=C([C@@H]1CNC(CN1)=O)O AK160412 [0,1,0,1,0,0|2,0,0]=4 289 B10R1.13 O=C([C@H]1CC[C@@H](O)CC1)O AK-64579 [0,1,0,1,0,0|2,0,0]=4 290 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O AK-40159 [0,1,0,1,0,0|2,0,0]=4 291 B10R1.13 O=C([C@H]1CC[C@H](O)CC1)O AK116045 [0,1,0,1,0,0|2,0,0]=4 292 B10R1.13 O=C([C@H]1NC[C@@H](O)CC1)O AK172058 [0,1,0,1,0,0|1,0,0]=3 293 B10R1.13 O=C([C@H]1NC[C@@H](O)CC1)O AK172374 [0,1,0,1,0,0|1,0,0]=3 294 B10R1.13 OC1CCC(CC1)C(O)=O AK-64210 [0,1,0,1,0,0|2,0,0]=4 295 B10R1.14 COC(C1NC(=O)CC1)=O AK-46671 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.14 O=C([C@H]1CCC(N1)=O)OC AK-41780 [0,1,0,1,0,0|2,0,0]=4 297 B10R1.14 O=C1N[C@H](C(OC)=O)CC1 AK-27009 [0,1,0,1,0,0|2,0,0]=4 298 B10R1.15 COC(=O)C1CCCCN1 AK-75909 [0,1,0,1,0,0|1,0,0]=3 299 B10R1.15 COC(=O)C1CCCCO1 AK-82436 [0,1,0,1,0,0|2,0,0]=4 300 B10R1.15 COC(=O)C1COCCN1 AK-95491 [0,1,0,1,0,0|2,0,0]=4 301 B10R1.15 COC(=O)[C@H]1CCCCN1 AK-44845 [0,1,0,1,0,0|1,0,0]=3 302 B10R1.15 N1CCC(CC1)C(=O)OC AK-50719 [0,1,0,1,0,0|2,0,0]=4 303 B10R1.15 N1CCCC[C@@H]1C(=O)OC AK-29738 [0,1,0,1,0,0|1,0,0]=3 304 B10R1.15 O=C(C1CCNCC1)OC AK116971 [0,1,0,1,0,0|2,0,0]=4 305 B10R1.15 O=C(C1CCOCC1)OC AK-41265 [0,1,0,1,0,0|1,1,0]=4 306 B10R1.15 O=C(C1NCCCC1)OC AK-41701 [0,1,0,1,0,0|1,0,0]=3 307 B10R1.15 O=C(C1NCCNC1)OC AK-44504 [0,1,0,1,0,0|2,0,0]=4 308 B10R1.15 O=C([C@H]1NCCOC1)OC AK-64358 [0,1,0,1,0,0|2,0,0]=4 309 B10R1.15 O=C([C@H]1NCCOC1)OC AK-94006 [0,1,0,1,0,0|2,0,0]=4 310 B10R1.15 O=[C@]([C@H]1NCCCC1)OC AK-33856 [0,1,0,1,0,0|1,0,0]=3 311 B10R1.411 O=C(C1(N)CCCC1)OC AK-44021 [0,1,0,1,0,0|1,0,0]=3 312 B10R1.194 O=C(O)[C@H]1CCC(N1C)=O AK677593 [0,1,0,1,0,0|2,0,0]=4 313 B10R1.194 O=C([C@@H]1CCC(N1C)=O)O AK159732 [0,1,0,1,0,0|2,0,0]=4 314 B10R1.348 O=C(O)C1CCCCCC1 AK-25427 [0,1,0,1,0,0|2,0,0]=4 315 B10R1.113 CN1CCCC(C1)C(O)=O AK-96687 [0,1,0,1,0,0|2,0,0]=4 316 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AK-40828 [0,1,0,1,0,0|1,0,0]=3 317 B10R1.113 N[C@H]1CCC[C@H](C1)C(O)=O AK-59924 [0,1,0,1,0,0|2,0,0]=4 318 B10R1.113 O=C(C1NC(C)CCC1)O AK-50292 [0,1,0,1,0,0|1,0,0]=3 319 B10R1.113 O=C([C@@H]1C[C@H](N)CCC1)O AK171951 [0,1,0,1,0,0|2,0,0]=4 320 B10R1.113 O=C([C@@H]1NCC[C@@H](O)C1)O AK552057 [0,1,0,1,0,0|1,0,0]=3 321 B10R1.113 O=C([C@H]1C[C@@H](N)CCC1)O AK171952 [0,1,0,1,0,0|2,0,0]=4 322 B10R1.113 O=C1N[C@H]([C@@](O)=O)CCC1 AK-44820 [0,1,0,1,0,0|1,0,1]=4 323 B10R1.363 CC1(CCOCC1)C(O)=O AK-64987 [0,1,0,1,0,0|1,1,0]=4 324 B10R1.363 O=C(C1(C)CCNCC1)O AK-83641 [0,1,0,1,0,0|2,0,0]=4 325 B10R1.363 O=C(C1(N)CCOCC1)O AK-43291 [0,1,0,1,0,0|0,1,0]=3 326 B10R2.351 C12C(C1COC2)C(=O)O AK-31514 [0,0,0,2,0,0|1,1,0]=4 327 B10R0.78 CCCCC(C)CCC(O)=O AK164469 [0,0,0,0,0,2|2,0,0]=4