0 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.6 CC(=O)NCC(O)=O AK-49883 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.6 CC(NNC(C)C)=O AK118752 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 C[S+](CCC(O)=O)C AK114711 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.6 O=C(O)CCN(C)C AK-33348 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.6 O=C(O)CNC(N)=N AK144672 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.6 O=C(O)\C=C/C(N)=O AK169998 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.6 O=C(O)\C=C\C(O)=O AK115563 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.6 O=C([O-])CCC([O-])=O AK397848 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.4 CCCCC([O-])=O AK163205 [1,0,0,0,0,0|0,0,3]=4 10 B6R0.4 O=C(O)CCC#N AK-47909 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.4 O=C(O)CCCCl AK113749 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 O=C(O)CCCN AK-43987 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.4 O=C(O)CCNC AK155866 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.4 O=C(O)CCOC AK-88477 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.4 OC(=O)CCC#C AK-32594 [1,0,0,0,0,0|0,0,3]=4 16 B8R0.9 C(C(OC)=O)CC(O)=O AK-47290 [0,1,0,0,0,0|1,0,1]=3 17 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [0,1,0,0,0,0|0,0,0]=1 18 B8R0.9 O=C(O)CCC(CN)=O AK-30504 [0,1,0,0,0,0|1,0,1]=3 19 B8R0.9 O=C(O)CNC(CN)=O AK-46058 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.9 O=C(O)CNC(OC)=O AK158445 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.9 O=C(O)\C=C\C(OC)=O AK114632 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.23 C(=O)([C@@H](NC(=O)C)C)O AK-44154 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.23 C(C(C(O)=O)N)C(C)C AK-47516 [0,1,0,0,0,0|0,0,2]=3 24 B8R0.23 CC(C)C(N)CC(O)=O AK124272 [0,1,0,0,0,0|0,0,2]=3 25 B8R0.23 CC(C)C[C@@H](O)C(O)=O AK-90931 [0,1,0,0,0,0|0,0,2]=3 26 B8R0.23 CC(C)C[C@H](Br)C(O)=O AK549141 [0,1,0,0,0,0|0,0,2]=3 27 B8R0.23 CC(C)C[C@H](N)C(O)=O AK-81271 [0,1,0,0,0,0|0,0,2]=3 28 B8R0.23 CC(C)C[C@H](O)C(O)=O AK-58745 [0,1,0,0,0,0|0,0,2]=3 29 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK-86154 [0,1,0,0,0,0|0,0,2]=3 30 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK162605 [0,1,0,0,0,0|0,0,2]=3 31 B8R0.23 CC(C)[C@H](N)CC(O)=O AK-45075 [0,1,0,0,0,0|0,0,2]=3 32 B8R0.23 CC(C)[C@H](N)CC(O)=O AK115403 [0,1,0,0,0,0|0,0,2]=3 33 B8R0.23 CC(CC(N(C)C)=O)=O AK129044 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.23 C[C@@H](NC(C)=O)C(O)=O AK-80484 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O AK-23909 [0,1,0,0,0,0|1,0,2]=4 36 B8R0.23 NC(CC(N)=O)C(O)=O AK-44638 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK-81270 [0,1,0,0,0,0|1,0,2]=4 38 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK325911 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.23 N[C@@H](CC(O)=O)C(O)=O AK-81235 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.23 N[C@H](CC(C)C)C(O)=O AK-49689 [0,1,0,0,0,0|0,0,2]=3 41 B8R0.23 N[C@H](CC(N)=O)C(=O)O AK-54079 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.23 N[C@H](CC(O)=O)C(O)=O AK-47468 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.23 O=C(O)C(C)CC(O)=O AK114636 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.23 O=C(O)CN(C)C(N)=N AK113717 [0,1,0,0,0,0|3,0,0]=4 45 B8R0.23 O=C(O)CN(C)C(N)=N AK158914 [0,1,0,0,0,0|3,0,0]=4 46 B8R0.23 O=C(O)[C@@H](N)CC(N)=O AK143332 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.23 O=C(O)[C@@H](O)CC(O)=O AK-77850 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.23 O=C(O)[C@H](O)CC(O)=O AK-88657 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.29 CC(C)(C)OCC(O)=O AK-57788 [0,1,0,0,0,0|1,0,1]=3 50 B8R0.29 O=C(O)CCS(=O)(C)=O AK125200 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.29 O=C(O)CNC(C)(C)C AK-75739 [0,1,0,0,0,0|1,0,1]=3 52 B8R1.3 C1=C(O)C=NC(=C1)C AK-27703 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.3 CC1=CNC(C=N1)=O AK-28246 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.3 O=C1C=CC(C)=NN1 AK-33134 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.3 OC1=NC=C(C)C=C1 AK-25236 [0,0,0,1,0,0|1,0,2]=4 59 B8R1.23 O=C(C1CC(N1)=O)O AK-40842 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.23 O=C(C1CC(O)C1)O AK-51692 [0,0,0,1,0,0|1,0,2]=4 61 B8R1.23 O=C(C1CN(C)C1)O AK-67585 [0,0,0,1,0,0|1,0,1]=3 62 B8R1.23 O=C([C@H]1C[C@@H](N)C1)O AK-29496 [0,0,0,1,0,0|1,0,2]=4 63 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O AK-67699 [0,0,0,1,0,0|1,0,2]=4 64 B8R1.23 O=C([C@H]1C[C@H](O)C1)O AK129703 [0,0,0,1,0,0|1,0,2]=4 65 B8R1.23 O=C1CC(C1)C(=O)O AK-25641 [0,0,0,1,0,0|1,0,1]=3 66 B8R1.51 CC1(C)CCC(=O)N1 AK-90081 [0,0,0,1,0,0|1,0,2]=4 67 B8R1.51 O=C1OC(C)(C)CC1 AK-44637 [0,0,0,1,0,0|0,0,2]=3 68 B8R1.77 CC1(C)CC1C(O)=O AK-36306 [0,0,0,1,0,0|0,0,2]=3 69 B8R1.77 O=C([C@@H]1C(C)(C)C1)O AK-87982 [0,0,0,1,0,0|0,0,2]=3 70 B6R0.2 C(C(=O)O)N(C)C AK-41194 [0,0,0,0,1,0|1,0,0]=2 71 B6R0.2 CC(C)CB(O)O AK-26354 [0,0,0,0,1,0|1,0,2]=4 72 B6R0.2 CC(NC(C)C)=O AK-86542 [0,0,0,0,1,0|2,0,1]=4 73 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,0,0,0,1,0|2,0,0]=3 74 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [0,0,0,0,1,0|1,0,1]=3 75 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [0,0,0,0,1,0|1,0,1]=3 76 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [0,0,0,0,1,0|1,0,1]=3 77 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [0,0,0,0,1,0|1,0,2]=4 78 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [0,0,0,0,1,0|1,0,1]=3 79 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [0,0,0,0,1,0|1,0,1]=3 80 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,0,0,0,1,0|0,0,0]=1 81 B6R0.2 O=C([O-])C[S+](C)C AK543883 [0,0,0,0,1,0|1,0,1]=3 82 B6R0.2 OC(=O)CC(O)=O AK-98172 [0,0,0,0,1,0|2,0,0]=3 83 B6R0.2 S=C(N)CN(C)C AK-74196 [0,0,0,0,1,0|2,1,0]=4 84 B8R0.28 CC(OCOC(C)=O)=O AK112071 [0,0,0,0,0,1|3,0,0]=4 85 B8R0.28 O=C(O)CCCC(O)=O AK114297 [0,0,0,0,0,1|2,0,1]=4 86 B8R0.28 O=C(O)CCCN(C)C AK-50053 [0,0,0,0,0,1|1,0,1]=3 87 B8R0.28 O=C(O)\C=C\CN(C)C AK-44120 [0,0,0,0,0,1|1,0,1]=3 88 B8R0.28 O=C(O)\C=C\CN(C)C AK164346 [0,0,0,0,0,1|1,0,1]=3 89 B5R0.1 C#CCC(O)=O AK106962 [2,0,0,0,0,0|0,0,2]=4 90 B5R0.1 C(C(=O)O)NC AK-47434 [2,0,0,0,0,0|1,0,0]=3 91 B5R0.1 CC#CC(O)=O AK-49957 [2,0,0,0,0,0|0,0,2]=4 92 B5R0.1 CNCC(N)=O AK-90265 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.1 NCCC(O)=O AK-41261 [2,0,0,0,0,0|1,0,1]=4 94 B5R0.1 O=C(N)CSC AK-34209 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.1 O=CCN(C)C AK136086 [2,0,0,0,0,0|1,0,0]=3 96 B5R0.1 O=CCN(C)C AK172998 [2,0,0,0,0,0|1,0,0]=3 97 B7R0.2 CCC(N)CC(O)=O AK-45971 [1,1,0,0,0,0|0,0,2]=4 98 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [1,1,0,0,0,0|0,0,2]=4 99 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [1,1,0,0,0,0|0,0,2]=4 100 B7R0.2 CN(C)C=C(C)C=O AK-79155 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.2 O=C(O)CC(OC)=O AK-77136 [1,1,0,0,0,0|1,0,0]=3 102 B7R0.2 O=C(OC)CC(N)=O AK127795 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.3 COC(=O)CNC=O AK111067 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.3 O=C(OC)CCNC AK-85857 [1,1,0,0,0,0|1,0,1]=4 105 B7R0.4 COCCCC(O)=O AK-76729 [1,1,0,0,0,0|0,0,2]=4 106 B7R0.4 C\C=C\C=C\C([O-])=O AK-47286 [1,1,0,0,0,0|0,0,2]=4 107 B7R0.4 O=C(O)CCCCBr AK113954 [1,1,0,0,0,0|0,0,2]=4 108 B7R0.4 O=C(O)CCCCCl AK139351 [1,1,0,0,0,0|0,0,2]=4 109 B7R0.4 O=C(O)CCCCO AK198817 [1,1,0,0,0,0|0,0,2]=4 110 B7R0.4 O=C(O)\C=C\OCC AK-46090 [1,1,0,0,0,0|0,0,2]=4 111 B7R0.5 C=CC[C@@H](N)C(O)=O AK-26105 [1,1,0,0,0,0|0,0,2]=4 112 B7R0.5 C=CC[C@@H](N)C(O)=O AK-70926 [1,1,0,0,0,0|0,0,2]=4 113 B7R0.5 C=CC[C@H](N)C(O)=O AK-49452 [1,1,0,0,0,0|0,0,2]=4 114 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [1,1,0,0,0,0|0,0,2]=4 115 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [1,1,0,0,0,0|0,0,2]=4 116 B7R0.5 COCC(N)C(O)=O AK-87739 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [1,1,0,0,0,0|1,0,1]=4 118 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [1,1,0,0,0,0|1,0,1]=4 119 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [1,1,0,0,0,0|1,0,1]=4 120 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [1,1,0,0,0,0|1,0,1]=4 121 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [1,1,0,0,0,0|0,0,2]=4 122 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [1,1,0,0,0,0|1,0,1]=4 123 B7R0.9 CC(C)(N)CC(O)=O AK-40032 [0,1,0,0,1,0|0,0,1]=3 124 B7R0.9 CS(=O)(=O)CC(O)=O AK-82795 [0,1,0,0,1,0|2,0,0]=4 125 B7R0.9 NC(CC(=O)O)(C)C AK-35892 [0,1,0,0,1,0|0,0,1]=3 126 B7R0.9 O=C([O-])C[N+](C)(C)C AK161873 [0,1,0,0,1,0|1,0,1]=4 127 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [0,1,0,0,1,0|0,0,1]=3 128 B7R0.16 CC(C)C(C([O-])=O)=O AK109059 [0,1,0,0,1,0|0,0,2]=4 129 B7R0.16 CC(C)C(C)C(O)=O AK-78535 [0,1,0,0,1,0|0,0,1]=3 130 B7R0.16 CC(C)C(O)C(O)=O AK140040 [0,1,0,0,1,0|0,0,1]=3 131 B7R0.16 CC(C)[C@H](N)C(O)=O AK-93420 [0,1,0,0,1,0|0,0,1]=3 132 B7R0.16 CC(C)[C@H](O)C(O)=O AK146081 [0,1,0,0,1,0|0,0,1]=3 133 B7R0.16 CN(C(C(=O)O)=O)C AK-49052 [0,1,0,0,1,0|1,0,0]=3 134 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O AK-44858 [0,1,0,0,1,0|1,0,1]=4 135 B7R0.16 C[C@H](N(C)C)C(O)=O AK130686 [0,1,0,0,1,0|1,0,0]=3 136 B7R0.16 C[C@H](O)[C@@H](N)C(O)=O AK-76468 [0,1,0,0,1,0|1,0,1]=4 137 B7R0.16 NC(C(O)=O)C(O)=O AK-49231 [0,1,0,0,1,0|2,0,0]=4 138 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O AK-51518 [0,1,0,0,1,0|1,0,1]=4 139 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O AK-46647 [0,1,0,0,1,0|1,0,1]=4 140 B7R0.16 N[C@H](C(C)C)C(N)=O AK-49356 [0,1,0,0,1,0|1,0,1]=4 141 B7R0.16 N[C@H]([C@H](O)C)C(O)=O AK-47520 [0,1,0,0,1,0|1,0,1]=4 142 B7R0.16 [C@H](N)(C(C)C)C(N)=O AK-81293 [0,1,0,0,1,0|1,0,1]=4 143 B9R0.1 C=C(C)CCCC(OC)=O AK550726 [0,1,0,0,0,1|0,0,2]=4 144 B9R0.1 COC(=O)CCCC(O)=O AK-76606 [0,1,0,0,0,1|1,0,1]=4 145 B9R0.7 O=C(O)CNC(C(S)C)=O AK501603 [0,1,0,0,0,1|1,0,1]=4 146 B9R0.7 O=C(O)[C@@H](N)COC(C)=O AK124368 [0,1,0,0,0,1|1,0,1]=4 147 B9R0.7 OC(=O)CCC(=O)C(O)=O AK-41634 [0,1,0,0,0,1|2,0,0]=4 148 B9R0.7 [C@H](N)(CCC(C)C)C(O)=O AK-34655 [0,1,0,0,0,1|0,0,2]=4 149 B9R0.53 CC(C)CC(N)CC(O)=O AK-34862 [0,1,0,0,0,1|0,0,2]=4 150 B9R0.53 CC(C)C[C@H](N)CC(O)=O AK-44602 [0,1,0,0,0,1|0,0,2]=4 151 B9R0.53 CC(C)C[C@H](N)CC(O)=O AK-89143 [0,1,0,0,0,1|0,0,2]=4 152 B9R0.53 O=C(CC(O)=O)CC(O)=O AK-48328 [0,1,0,0,0,1|2,0,0]=4 153 B9R0.23 CC(C)C[C@@H](N)C(OC)=O AK-49948 [0,2,0,0,0,0|0,0,2]=4 154 B9R0.23 C[C@@H](NC(C)=O)C(OC)=O AK-80485 [0,2,0,0,0,0|2,0,0]=4 155 B9R0.23 C[C@H](NC(C)=O)C(OC)=O AK-80482 [0,2,0,0,0,0|2,0,0]=4 156 B9R0.23 N[C@@H](CC(C)C)C(OC)=O AK-47588 [0,2,0,0,0,0|0,0,2]=4 157 B9R0.23 O=C(O)CC(N)C(OC)=O AK162672 [0,2,0,0,0,0|1,0,1]=4 158 B9R0.23 O=C(O)C[C@H](N)C(OC)=O AK-41500 [0,2,0,0,0,0|1,0,1]=4 159 B9R0.24 COC(=O)CCC(=O)CN AK-79197 [0,2,0,0,0,0|1,0,1]=4 160 B9R0.24 O=C(OC)CNC(CN)=O AK129308 [0,2,0,0,0,0|2,0,0]=4 161 B9R0.24 O=C(OC)\C=C\C(OC)=O AK144836 [0,2,0,0,0,0|1,0,1]=4 162 B9R0.42 CC(C(CC(=O)OC)=O)C AK-46521 [0,2,0,0,0,0|0,0,1]=3 163 B9R0.42 O=C(O)C(CC(OC)=O)=O AK159593 [0,2,0,0,0,0|2,0,0]=4 164 B9R0.42 O=C(O)C(N)CC(OC)=O AK109363 [0,2,0,0,0,0|1,0,1]=4 165 B9R0.42 O=C(O)[C@@H](N)CC(OC)=O AK-48824 [0,2,0,0,0,0|1,0,1]=4 166 B9R0.42 O=C(O)[C@H](C)CC(OC)=O AK-93758 [0,2,0,0,0,0|1,0,1]=4 167 B9R0.42 O=C(O)[C@H](N)CC(OC)=O AK112678 [0,2,0,0,0,0|1,0,1]=4 168 B9R0.42 [C@@H](N)(CC(=O)OC)C(O)=O AK-43922 [0,2,0,0,0,0|1,0,1]=4 169 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [0,2,0,0,0,0|1,0,1]=4 170 B9R0.48 CCOC(=O)/C=C/C(O)=O AK-48066 [0,2,0,0,0,0|1,0,1]=4 171 B9R0.48 CCOC(=O)/C=C/N(C)C AK110935 [0,2,0,0,0,0|1,0,1]=4 172 B9R0.48 CCOC(=O)C=CN(C)C AK-51660 [0,2,0,0,0,0|1,0,1]=4 173 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [0,2,0,0,0,0|1,0,1]=4 174 B9R0.11 CC(C)C[C@@](C)(N)C(O)=O AK167463 [0,2,0,0,0,0|0,0,2]=4 175 B9R0.39 CC(C)C[C@@H](CN)C(O)=O AK119214 [0,2,0,0,0,0|0,0,2]=4 176 B9R0.39 CC(C)C[C@H](CN)C(O)=O AK119217 [0,2,0,0,0,0|0,0,2]=4 177 B9R0.39 CC(C)C[C@H](NC)C(O)=O AK107655 [0,2,0,0,0,0|0,0,2]=4 178 B9R0.39 CC(C)\C=C(C#N)\C(O)=O AK545888 [0,2,0,0,0,0|0,0,2]=4 179 B9R0.39 CCC(NC(C)=O)C(O)=O AK170144 [0,2,0,0,0,0|2,0,0]=4 180 B9R0.39 CC[C@@H](NC(C)=O)C(O)=O AK-87748 [0,2,0,0,0,0|2,0,0]=4 181 B9R0.39 SC[C@@H](C(O)=O)NC(C)=O AK-46577 [0,2,0,0,0,0|2,0,0]=4 182 B9R0.57 CC(C)(C)C[C@@H](N)C(O)=O AK130118 [0,2,0,0,0,0|0,0,2]=4 183 B9R0.57 CC(C)(F)C[C@H](N)C(O)=O AK314940 [0,2,0,0,0,0|0,0,2]=4 184 B9R0.79 CC(C)[C@H](O)[C@H](N)C(O)=O AK122524 [0,2,0,0,0,0|0,0,2]=4 185 B7R1.2 O=C1CC(C)=NN1 AK-28727 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.2 O=C1CCC(O1)=O AK139125 [1,0,0,1,0,0|1,0,1]=4 187 B7R1.2 O=C1COC(C)=C1 AK142223 [1,0,0,1,0,0|1,0,1]=4 188 B7R1.2 O=C1OC(C)=CC1 AK601784 [1,0,0,1,0,0|0,0,0]=2 189 B7R1.2 O=C1OC(C)CC1 AK117314 [1,0,0,1,0,0|0,0,2]=4 190 B7R1.3 O=C1CCCCO1 AK101117 [1,0,0,1,0,0|0,0,2]=4 191 B7R1.3 O=C1OCCOC1 AK117129 [1,0,0,1,0,0|1,0,1]=4 192 B7R1.18 C(=O)(C1OCC1)O AK-38212 [1,0,0,1,0,0|1,0,1]=4 193 B7R1.18 N1CC[C@@H]1C(=O)O AK-23961 [1,0,0,1,0,0|1,0,1]=4 194 B7R1.18 O=C(C1CNC1)O AK-21934 [1,0,0,1,0,0|1,0,1]=4 195 B7R1.18 O=C([C@@H]1NCC1)O AK118698 [1,0,0,1,0,0|1,0,1]=4 196 B7R1.18 OC(=O)C1CCN1 AK-27256 [1,0,0,1,0,0|1,0,1]=4 197 B9R1.35 C1=C(OC(=C1)C)C(O)=O AK-44799 [0,0,0,1,0,1|1,0,1]=4 198 B9R1.35 C1=C(SC(=N1)C)C(=O)O AK-35030 [0,0,0,1,0,1|1,0,1]=4 199 B9R1.35 CC1=CC=C(N1)C(O)=O AK100045 [0,0,0,1,0,1|1,0,1]=4 200 B9R1.35 CC1=CN=C(S1)C(=O)O AK-26650 [0,0,0,1,0,1|1,0,1]=4 201 B9R1.35 N1(CC(C(=O)O)CC1)C AK-27826 [0,0,0,1,0,1|1,0,1]=4 202 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 AK-65072 [0,0,0,1,0,1|1,0,1]=4 203 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 AK113066 [0,0,0,1,0,1|1,0,1]=4 204 B9R1.35 O=C(C1=CC=C(C)S1)O AK-25546 [0,0,0,1,0,1|1,0,1]=4 205 B9R1.35 O=C(C1=CN=C(C)O1)O AK-43778 [0,0,0,1,0,1|1,0,1]=4 206 B9R1.35 O=C(C1=CNC(C)=C1)O AK-78330 [0,0,0,1,0,1|0,0,2]=4 207 B9R1.35 O=C(C1=CNC(C)=N1)O AK-78654 [0,0,0,1,0,1|1,0,1]=4 208 B9R1.35 O=C(C1=NC(C)=CN1)O AK-29453 [0,0,0,1,0,1|1,0,1]=4 209 B9R1.35 O=C([C@@H]1CC(CC1)=O)O AK100868 [0,0,0,1,0,1|1,0,1]=4 210 B9R1.35 O=C([C@H]1CC(CC1)=O)O AK-99964 [0,0,0,1,0,1|1,0,1]=4 211 B9R1.35 O=C1CC(CC1)C(=O)O AK-31826 [0,0,0,1,0,1|1,0,1]=4 212 B9R1.10 O=C1COC(C)(C)OC1 AK-36260 [0,1,0,1,0,0|1,0,1]=4 213 B9R1.69 O=C1CC(C(CN1)C)=O AK-24495 [0,1,0,1,0,0|1,0,1]=4 214 B9R1.82 COC(=O)C1CC(=C)C1 AK-64988 [0,1,0,1,0,0|0,0,2]=4 215 B9R1.82 O=C(C1CC(C1)=O)OC AK-77056 [0,1,0,1,0,0|1,0,1]=4 216 B9R1.38 O=C1NC(C(O1)(C)C)=O AK130093 [0,1,0,1,0,0|1,0,1]=4 217 B9R1.112 O=C(O)[C@@H](N)CC1CC1 AK-46409 [0,1,0,1,0,0|0,0,2]=4 218 B9R1.112 O=C(O)[C@H](N)CC1CC1 AK-44500 [0,1,0,1,0,0|0,0,2]=4 219 B9R1.137 CC(CC(C1CC1)=O)=O AK-84405 [0,1,0,1,0,0|1,0,1]=4 220 B9R1.164 CC1(C)CC(C1)C(O)=O AK-74159 [0,1,0,1,0,0|0,0,2]=4 221 B5R0.5 C(C(=O)O)(=O)O AK-40231 [0,0,0,0,2,0|2,0,0]=4 222 B5R0.5 C=C(F)C(O)=O AK107642 [0,0,0,0,2,0|1,0,1]=4 223 B5R0.5 CC(C)C(N)=O AK-80490 [0,0,0,0,2,0|1,0,1]=4 224 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [0,0,0,0,2,0|1,0,1]=4 225 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [0,0,0,0,2,0|1,0,1]=4 226 B5R0.5 N[C@@H](C)C(O)=O AK650445 [0,0,0,0,2,0|1,0,1]=4 227 B5R0.5 O=C(O)C(O)=O AK116416 [0,0,0,0,2,0|2,0,0]=4 228 B9R0.55 CC(=O)CCCCC(O)=O AK-48369 [0,0,0,0,0,2|1,0,1]=4