0 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.16 CC(C)C(C([O-])=O)=O AK109059 [0,0,0,0,0,0|0,0,1]=1 2 B7R0.16 CC(C)C(C)C(O)=O AK-78535 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.16 CC(C)C(O)C(O)=O AK140040 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.16 CC(C)[C@H](N)C(O)=O AK-93420 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.16 CC(C)[C@H](O)C(O)=O AK146081 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.16 CN(C(C(=O)O)=O)C AK-49052 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O AK-44858 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.16 C[C@H](N(C)C)C(O)=O AK130686 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.16 C[C@H](O)[C@@H](N)C(O)=O AK-76468 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O AK-51518 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O AK-81288 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O AK-46647 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.16 N[C@H](C(C)C)C(N)=O AK-49356 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.16 N[C@H]([C@H](O)C)C(O)=O AK-47520 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.16 [C@H](N)(C(C)C)C(N)=O AK-81293 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.2 C(C(=O)O)N(C)C AK-41194 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.2 CC(C)CB(O)O AK-26354 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.2 CC(NC(C)C)=O AK-86542 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [1,0,0,0,0,0|0,0,1]=2 27 B6R0.2 O=C([O-])C[S+](C)C AK543883 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.3 C(=O)([C@H](N)CS)O AK-51501 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.3 C(C(C(C)C)N)O AK-46643 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.3 C(C(C(O)=O)N)O AK-46543 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.3 C(C(N)C(O)=O)C AK-46591 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.3 C(S)C(N)C(O)=O AK-73021 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.3 CC(C)C(N)CO AK-62680 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.3 CC(C)\C(N)=N\O AK117017 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.3 CC(N(CC)C)=O AK149250 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.3 CC(N)C(OC)=O AK-48822 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.3 CCC(=O)C(O)=O AK-48379 [1,0,0,0,0,0|0,0,0]=1 38 B6R0.3 CCC(N(C)C)=O AK105976 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [1,0,0,0,0,0|0,0,2]=3 44 B6R0.3 COC(C)C(O)=O AK-49797 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.3 C[C@H](N)C(NC)=O AK-90374 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.3 C[C@H](NC)C(O)=O AK134597 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.3 C[C@H](OC)C(O)=O AK167072 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.3 C\C=C(O)\C(O)=O AK149482 [1,0,0,0,0,0|0,0,2]=3 50 B6R0.3 NC(CO)C(O)=O AK-41368 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.3 N[C@@H](C)C(OC)=O AK-46616 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.3 N[C@@H](CS)C(O)=O AK-48312 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.3 N[C@@H](CS)C(O)=O AK-49861 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.3 N[C@H](C)C(OC)=O AK-49396 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.3 N[C@H](CN)C(O)=O AK-31407 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.3 O=C(N(C)C)CN AK-33842 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.3 O=C(N(C)C)CN AK-39204 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.3 O=C(O)C(C)CBr AK116257 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.3 O=C(O)C(N)CN AK-44800 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.3 O=C(O)C(O)CO AK114312 [1,0,0,0,0,0|1,0,2]=4 61 B6R0.3 O=C(O)[C@@H](N)CN AK-25439 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.3 O=C(O)[C@@H](N)CS AK-61915 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.3 O=C(O)[C@@H](O)CN AK-75855 [1,0,0,0,0,0|1,0,2]=4 65 B6R0.3 O=C(O)[C@H](N)CCl AK-90315 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.3 O=C(O)[C@H](N)CCl AK122809 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.3 O=C(O)[C@H](N)CS AK175126 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.3 O=C([O-])C(OC)=O AK670985 [1,0,0,0,0,0|1,0,1]=3 69 B6R0.3 [C@@H](N)(C(C)C)CO AK-46511 [1,0,0,0,0,0|1,0,2]=4 70 B8R0.2 CC(C(C(OC)=O)N)C AK-41529 [0,1,0,0,0,0|1,0,1]=3 71 B8R0.2 CC(C)C(N(OC)C)=O AK108098 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.2 CC(C)C(N)C(OC)=O AK133088 [0,1,0,0,0,0|1,0,1]=3 73 B8R0.2 CC(C)[C@H](O)C(OC)=O AK146226 [0,1,0,0,0,0|0,0,2]=3 74 B8R0.2 CC(O)C(N)C(OC)=O AK-77084 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.2 CC[C@H](C)[C@@H](N)C(O)=O AK-72869 [0,1,0,0,0,0|1,0,1]=3 76 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O AK-41239 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.2 C[C@@H](O)[C@@H](N)C(OC)=O AK162652 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.2 C[C@H](O)[C@H](N)C(OC)=O AK-90375 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.2 N[C@@H](C(C)C)C(OC)=O AK-47574 [0,1,0,0,0,0|1,0,1]=3 80 B8R0.2 N[C@@H]([C@@H](C)CC)C(O)=O AK-50075 [0,1,0,0,0,0|1,0,1]=3 81 B8R0.2 N[C@@H]([C@H](O)C)C(OC)=O AK-49761 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.2 N[C@@H]([C@H](OC)C)C(O)=O AK-41699 [0,1,0,0,0,0|1,0,1]=3 83 B8R0.18 CC(C)[C@@H](C(O)=O)NC AK509708 [0,1,0,0,0,0|1,0,1]=3 84 B8R0.18 CC(C)[C@@H](CN)C(O)=O AK119228 [0,1,0,0,0,0|1,0,1]=3 85 B8R0.18 CC(C)[C@@H](NC)C(O)=O AK-89028 [0,1,0,0,0,0|1,0,1]=3 86 B8R0.18 CC(C)[C@H](CN)C(O)=O AK119232 [0,1,0,0,0,0|1,0,1]=3 87 B8R0.18 C[C@@H](O)[C@@H](C(O)=O)NC AK307143 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.27 CC(C)(C)C(N)C(O)=O AK-46692 [0,1,0,0,0,0|1,0,1]=3 89 B8R0.27 CC(C)(C)[C@H](N)C(N)=O AK164248 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.27 CC(C)(C)[C@H](N)C(O)=O AK-47550 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.27 CC(C)(C)[C@H](O)C(O)=O AK135563 [0,1,0,0,0,0|0,0,2]=3 92 B8R0.27 CC(C)(O)[C@@H](N)C(O)=O AK-34222 [0,1,0,0,0,0|1,0,1]=3 93 B8R0.27 CC(C)(O)[C@H](N)C(O)=O AK-34221 [0,1,0,0,0,0|1,0,1]=3 94 B8R0.27 N[C@H](C(C)(C)C)C(=O)O AK-47336 [0,1,0,0,0,0|1,0,1]=3 95 B8R0.37 C(C(=O)N)(N)(C(C)C)C AK-24703 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.37 CC(C)[C@@](C)(N)C(O)=O AK163535 [0,1,0,0,0,0|1,0,1]=3 97 B8R1.50 CC=1CCC(C1O)=O AK103328 [0,0,0,1,0,0|1,0,2]=4 98 B8R1.50 O=C1OC[C@@H](O)[C@H]1O AK158528 [0,0,0,1,0,0|1,0,2]=4 99 B8R1.54 O=C(O)[C@@H](N)C1CC1 AK-44348 [0,0,0,1,0,0|1,0,1]=3 100 B8R1.54 OC(=O)C(=O)C1CC1 AK110685 [0,0,0,1,0,0|0,0,0]=1 101 B8R1.77 CC1(C)CC1C(O)=O AK-36306 [0,0,0,1,0,0|1,0,1]=3 102 B8R1.77 O=C([C@@H]1C(C)(C)C1)O AK-87982 [0,0,0,1,0,0|1,0,1]=3 103 B8R0.23 C(C(C(O)=O)N)C(C)C AK-47516 [0,0,0,0,0,1|1,0,1]=3 104 B8R0.23 CC(C)C(N)CC(O)=O AK124272 [0,0,0,0,0,1|1,0,1]=3 105 B8R0.23 CC(C)C[C@@H](O)C(O)=O AK-90931 [0,0,0,0,0,1|0,0,2]=3 106 B8R0.23 CC(C)C[C@H](Br)C(O)=O AK549141 [0,0,0,0,0,1|1,0,1]=3 107 B8R0.23 CC(C)C[C@H](N)C(O)=O AK-81271 [0,0,0,0,0,1|1,0,1]=3 108 B8R0.23 CC(C)C[C@H](O)C(O)=O AK-58745 [0,0,0,0,0,1|0,0,2]=3 109 B8R0.23 CC(C)OC([C@H](C)N)=O AK-40023 [0,0,0,0,0,1|2,0,1]=4 110 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK-86154 [0,0,0,0,0,1|1,0,1]=3 111 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK162605 [0,0,0,0,0,1|1,0,1]=3 112 B8R0.23 CC(C)[C@H](N)CC(O)=O AK-45075 [0,0,0,0,0,1|1,0,1]=3 113 B8R0.23 CC(C)[C@H](N)CC(O)=O AK115403 [0,0,0,0,0,1|1,0,1]=3 114 B8R0.23 CC(CC(N(C)C)=O)=O AK129044 [0,0,0,0,0,1|2,0,0]=3 115 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O AK-23909 [0,0,0,0,0,1|2,0,1]=4 116 B8R0.23 C[C@H](N)C(OC(C)C)=O AK136097 [0,0,0,0,0,1|2,0,1]=4 117 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK-81270 [0,0,0,0,0,1|2,0,1]=4 118 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK325911 [0,0,0,0,0,1|2,0,1]=4 119 B8R0.23 N[C@H](CC(C)C)C(O)=O AK-49689 [0,0,0,0,0,1|1,0,1]=3 120 B5R0.1 C(C(=O)O)NC AK-47434 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.1 CC#CC(O)=O AK-49957 [2,0,0,0,0,0|0,0,2]=4 122 B5R0.1 NCCC(O)=O AK-41261 [2,0,0,0,0,0|1,0,1]=4 123 B5R0.1 O=CCN(C)C AK136086 [2,0,0,0,0,0|1,0,1]=4 124 B5R0.1 O=CCN(C)C AK172998 [2,0,0,0,0,0|1,0,1]=4 125 B5R0.3 C=CC(NC)=O AK115593 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.3 CCC(CN)=O AK-38468 [2,0,0,0,0,0|1,0,1]=4 127 B5R0.3 CCC(CO)=O AK149491 [2,0,0,0,0,0|0,0,1]=3 128 B5R0.3 O=C(CO)CO AK-46682 [2,0,0,0,0,0|1,0,1]=4 129 B5R0.3 O=C(OC)CO AK-98661 [2,0,0,0,0,0|1,0,1]=4 130 B5R0.5 C(C(=O)O)(=O)O AK-40231 [2,0,0,0,0,0|1,0,0]=3 131 B5R0.5 C=C(F)C(O)=O AK107642 [2,0,0,0,0,0|1,0,1]=4 132 B5R0.5 CC(B(O)O)C AK-46096 [2,0,0,0,0,0|1,0,1]=4 133 B5R0.5 CC(C)C(N)=O AK-80490 [2,0,0,0,0,0|1,0,0]=3 134 B5R0.5 CC(O)C([O-])=O AK114515 [2,0,0,0,0,0|1,0,1]=4 135 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [2,0,0,0,0,0|1,0,0]=3 137 B5R0.5 C[C@H](N)C(N)=O AK-46287 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.5 C[C@H](O)C([O-])=O AK121770 [2,0,0,0,0,0|1,0,1]=4 139 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [2,0,0,0,0,0|1,0,0]=3 141 B5R0.5 N[C@@H](C)C(O)=O AK650445 [2,0,0,0,0,0|1,0,0]=3 142 B5R0.5 O=C(O)C(O)=O AK116416 [2,0,0,0,0,0|1,0,0]=3 143 B5R0.5 O=C([O-])C([O-])=O AK112218 [2,0,0,0,0,0|1,0,1]=4 144 B7R0.2 CCC(N)CC(O)=O AK-45971 [1,1,0,0,0,0|1,0,1]=4 145 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [1,1,0,0,0,0|1,0,1]=4 146 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [1,1,0,0,0,0|1,0,1]=4 147 B7R0.2 CN(C)C=C(C)C=O AK-79155 [1,1,0,0,0,0|2,0,0]=4 148 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [1,1,0,0,0,0|1,0,1]=4 150 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [1,1,0,0,0,0|1,0,1]=4 151 B7R0.2 N[C@@H](CO)CC(O)=O AK-23884 [1,1,0,0,0,0|1,0,1]=4 152 B7R0.2 O=C(O)C[C@H](N)CO AK-72526 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.2 OCC(OC(C)C)=O AK-48397 [1,1,0,0,0,0|1,0,0]=3 154 B7R0.9 CC(C)(N)CC(O)=O AK-40032 [1,1,0,0,0,0|0,0,1]=3 155 B7R0.9 NC(CC(=O)O)(C)C AK-35892 [1,1,0,0,0,0|0,0,1]=3 156 B7R0.9 NC(OC(C)(C)C)=O AK-40118 [1,1,0,0,0,0|2,0,0]=4 157 B7R0.5 CC(C)C(=O)CC#N AK-34559 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.5 CC(C)C(OCCl)=O AK163215 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [1,1,0,0,0,0|1,0,1]=4 160 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [1,1,0,0,0,0|0,0,2]=4 161 B7R0.5 CCOC(=O)C(N)=O AK-45440 [1,1,0,0,0,0|1,0,0]=3 162 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.5 COCC(N)C(O)=O AK-87739 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.5 NC(CCO)C(O)=O AK-41514 [1,1,0,0,0,0|1,0,1]=4 165 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.5 O=C(O)C(N)CCN AK-44002 [1,1,0,0,0,0|1,0,1]=4 167 B7R0.5 O=C(O)C(O)CCN AK-75839 [1,1,0,0,0,0|0,0,2]=4 168 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [1,1,0,0,0,0|0,0,2]=4 171 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [1,1,0,0,0,0|1,0,1]=4 172 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [1,1,0,0,0,0|1,0,1]=4 173 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [1,1,0,0,0,0|1,0,1]=4 174 B7R0.5 O=C(OCC)C(N)=S AK-45462 [1,1,0,0,0,0|1,1,0]=4 175 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [1,1,0,0,0,0|1,0,1]=4 176 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [1,1,0,0,0,0|1,0,1]=4 177 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [1,1,0,0,0,0|1,0,1]=4 178 B7R0.10 CCC(N(OC)C)=O AK130253 [1,1,0,0,0,0|2,0,0]=4 179 B7R0.10 CCC(N)C(OC)=O AK115477 [1,1,0,0,0,0|1,0,1]=4 180 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [1,1,0,0,0,0|1,0,1]=4 181 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [1,1,0,0,0,0|1,0,1]=4 183 B7R0.10 O=C(OC)[C@@H](C)CBr AK305462 [1,1,0,0,0,0|2,0,0]=4 184 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [1,1,0,0,0,0|2,0,0]=4 185 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [1,1,0,0,0,0|2,0,0]=4 186 B7R0.13 CCC(C)(C)C(O)=O AK-54450 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.13 N[C@@](C(O)=O)(CC)C AK-81295 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.13 N[C@](C(O)=O)(CC)C AK-81168 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.14 CC(C)(O)C(NN)=O AK-98279 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.14 NC(C(=O)OC)(C)C AK-46629 [1,1,0,0,0,0|2,0,0]=4 191 B9R0.10 O=C(O)CC(C(F)(F)F)=O AK-75619 [0,1,0,0,0,1|2,0,0]=4 192 B9R0.11 CC(C)C[C@@](C)(N)C(O)=O AK167463 [0,1,0,0,0,1|1,0,1]=4 193 B9R0.23 CC(C)C[C@@H](N)C(OC)=O AK-49948 [0,1,0,0,0,1|1,0,1]=4 194 B9R0.23 N[C@@H](CC(C)C)C(OC)=O AK-47588 [0,1,0,0,0,1|1,0,1]=4 195 B9R0.39 CC(C)C[C@@H](CN)C(O)=O AK119214 [0,1,0,0,0,1|1,0,1]=4 196 B9R0.39 CC(C)C[C@H](CN)C(O)=O AK119217 [0,1,0,0,0,1|1,0,1]=4 197 B9R0.39 CC(C)C[C@H](NC)C(O)=O AK107655 [0,1,0,0,0,1|1,0,1]=4 198 B9R0.39 CC(C)\C=C(C#N)\C(O)=O AK545888 [0,1,0,0,0,1|1,0,0]=3 199 B9R0.42 CC(C(CC(=O)OC)=O)C AK-46521 [0,1,0,0,0,1|0,0,0]=2 200 B9R0.42 O=C(O)C(CC(OC)=O)=O AK159593 [0,1,0,0,0,1|1,0,1]=4 201 B9R0.57 CC(C)(C)C[C@@H](N)C(O)=O AK130118 [0,1,0,0,0,1|1,0,1]=4 202 B9R0.57 CC(C)(F)C[C@H](N)C(O)=O AK314940 [0,1,0,0,0,1|1,0,1]=4 203 B9R0.79 CC(C)[C@H](O)[C@H](N)C(O)=O AK122524 [0,1,0,0,0,1|0,0,2]=4 204 B9R0.6 CC(Br)C(C(OCC)=O)=O AK-50500 [0,2,0,0,0,0|1,0,0]=3 205 B9R0.6 CC(C)C(N)C(OCC)=O AK117096 [0,2,0,0,0,0|1,0,1]=4 206 B9R0.6 N[C@H](C(C)C)C(OCC)=O AK-50082 [0,2,0,0,0,0|1,0,1]=4 207 B9R0.6 [C@H](N)(C(C)C)C(=O)OCC AK-46082 [0,2,0,0,0,0|1,0,1]=4 208 B9R0.25 COC([C@@H](N)C(C)(C)C)=O AK-46685 [0,2,0,0,0,0|1,0,1]=4 209 B9R0.27 N[C@@H]([C@@H](C)CC)C(OC)=O AK-41506 [0,2,0,0,0,0|1,0,1]=4 210 B9R0.29 [C@H](NC)(C(C)C)C(=O)OC AK-88957 [0,2,0,0,0,0|1,0,1]=4 211 B9R0.54 CC(C(C(O)=O)C(O)=O)C AK-73111 [0,2,0,0,0,0|0,0,1]=3 212 B7R1.2 FC1COC(=O)O1 AK111108 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [1,0,0,1,0,0|1,0,1]=4 214 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [1,0,0,1,0,0|1,0,1]=4 215 B7R1.2 O=C1OC(C)CC1 AK117314 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [1,0,0,1,0,0|1,0,0]=3 217 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [1,0,0,1,0,0|1,0,0]=3 218 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [1,0,0,1,0,0|1,0,0]=3 219 B7R1.12 O=C(C1C(F)C1)O AK-73995 [1,0,0,1,0,0|1,0,1]=4 220 B7R1.12 O=C([C@H]1[C@@H](F)C1)O AK161119 [1,0,0,1,0,0|1,0,1]=4 221 B7R1.12 O=C([C@H]1[C@H](F)C1)O AK161248 [1,0,0,1,0,0|1,0,1]=4 222 B7R1.4 CC1CSCC1=O AK104742 [1,0,0,1,0,0|0,1,1]=4 223 B7R1.4 NC1CONC1=O AK-87856 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [1,0,0,1,0,0|1,0,1]=4 225 B7R1.4 N[C@H]1CCOC1=O AK-41531 [1,0,0,1,0,0|1,0,1]=4 226 B7R1.4 O=C1C(CCO1)Br AK-35370 [1,0,0,1,0,0|1,0,1]=4 227 B7R1.4 O=C1C(O)=CCC1 AK-43709 [1,0,0,1,0,0|1,0,0]=3 228 B7R1.4 O=C1NOC[C@H]1N AK-26256 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.4 O=C1OCCC1N AK543042 [1,0,0,1,0,0|1,0,1]=4 230 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [1,0,0,1,0,0|0,0,2]=4 231 B7R1.18 C(=O)(C1OCC1)O AK-38212 [1,0,0,1,0,0|0,0,2]=4 232 B7R1.18 N1CC[C@@H]1C(=O)O AK-23961 [1,0,0,1,0,0|1,0,1]=4 233 B7R1.18 O=C([C@@H]1NCC1)O AK118698 [1,0,0,1,0,0|1,0,1]=4 234 B7R1.18 OC(=O)C1CCN1 AK-27256 [1,0,0,1,0,0|1,0,1]=4 235 B7R1.19 O=C(C1(CC1)N)O AK-26748 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.19 OC(=O)C1(Br)CC1 AK-81458 [1,0,0,1,0,0|1,0,1]=4 237 B7R1.22 N=C(C1CC1)NO AK-49844 [1,0,0,1,0,0|2,0,0]=4 238 B9R1.35 NC1=CC(C(C)C)=NO1 AK108354 [0,0,0,1,0,1|2,0,0]=4 239 B9R1.35 O=C1OC[C@@H](C(C)C)N1 AK-36974 [0,0,0,1,0,1|1,0,1]=4 240 B9R1.35 O=C1OC[C@H](C(C)C)N1 AK-33649 [0,0,0,1,0,1|1,0,1]=4 241 B9R1.38 CC1(C(OC(C1)=O)=O)C AK-46649 [0,0,0,1,0,1|1,0,0]=3 242 B9R1.38 O=C1NC(C(C)(C)N1)=O AK-44101 [0,0,0,1,0,1|1,0,0]=3 243 B9R1.38 O=C1NC(C(O1)(C)C)=O AK130093 [0,0,0,1,0,1|0,0,0]=2 244 B9R1.69 C1C(N)C(=O)NC(=O)C1 AK-46561 [0,0,0,1,0,1|2,0,0]=4 245 B9R1.69 CC1CCC(=O)NC1=O AK-80663 [0,0,0,1,0,1|1,0,0]=3 246 B9R1.69 O=C1CC(C(CN1)C)=O AK-24495 [0,0,0,1,0,1|1,0,0]=3 247 B9R1.112 O=C(O)[C@@H](N)CC1CC1 AK-46409 [0,0,0,1,0,1|1,0,1]=4 248 B9R1.112 O=C(O)[C@H](N)CC1CC1 AK-44500 [0,0,0,1,0,1|1,0,1]=4 249 B9R1.137 CC(CC(C1CC1)=O)=O AK-84405 [0,0,0,1,0,1|1,0,0]=3 250 B9R1.164 CC1(C)CC(C1)C(O)=O AK-74159 [0,0,0,1,0,1|1,0,1]=4 251 B9R1.37 O=C1C(C)OC(C)=C1O AK109077 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.101 O=C(C1CC1)N(OC)C AK-83231 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.101 O=C(OC)C(N)C1CC1 AK142881 [0,1,0,1,0,0|1,0,1]=4 254 B9R1.101 O=C(OC)[C@@H](N)C1CC1 AK173986 [0,1,0,1,0,0|1,0,1]=4 255 B9R1.110 NC(C1CCC1)C(O)=O AK-88091 [0,1,0,1,0,0|1,0,1]=4 256 B9R1.138 O=C1OCC(C)(C)C1O AK114317 [0,1,0,1,0,0|0,0,2]=4 257 B7R0.6 CC(NNC(C)C)=O AK118752 [1,0,0,0,0,1|2,0,0]=4 258 B7R0.6 C[S+](CCC(O)=O)C AK114711 [1,0,0,0,0,1|1,0,1]=4 259 B7R0.6 O=C(O)CCN(C)C AK-33348 [1,0,0,0,0,1|1,0,1]=4 260 B9R0.7 O=C(O)CNC(C(S)C)=O AK501603 [0,0,0,0,0,2|1,0,0]=3 261 B9R0.7 [C@H](N)(CCC(C)C)C(O)=O AK-34655 [0,0,0,0,0,2|1,0,1]=4 262 B9R0.53 CC(C)CC(N)CC(O)=O AK-34862 [0,0,0,0,0,2|1,0,1]=4 263 B9R0.53 CC(C)C[C@H](N)CC(O)=O AK-44602 [0,0,0,0,0,2|1,0,1]=4 264 B9R0.53 CC(C)C[C@H](N)CC(O)=O AK-89143 [0,0,0,0,0,2|1,0,1]=4