0 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 CC(=O)NCC(O)=O AK-49883 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(NNC(C)C)=O AK118752 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 C[S+](CCC(O)=O)C AK114711 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 O=C(O)CCN(C)C AK-33348 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.4 CC(C)OCCBr AK110255 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 CC(CCCCl)=O AK-48368 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.4 CC(OCCBr)=O AK165045 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.4 CCCCC([O-])=O AK163205 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.4 CN(CCNC)C AK-64867 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.4 NC(OCCC)=O AK116320 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.4 O=C(N)NCCO AK121931 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.4 O=C(O)CCCCl AK113749 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.4 O=C(O)CCCN AK-43987 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.4 O=C(O)CCNC AK155866 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.4 O=C(O)CCOC AK-88477 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.9 C=CC(OCC(O)C)=O AK110453 [0,1,0,0,0,0|1,0,1]=3 17 B8R0.23 C(C(C(O)=O)N)C(C)C AK-47516 [0,1,0,0,0,0|2,0,0]=3 18 B8R0.23 CC(C)C(N)CC(O)=O AK124272 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.23 CC(C)C[C@@H](O)C(O)=O AK-90931 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.23 CC(C)C[C@H](Br)C(O)=O AK549141 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.23 CC(C)C[C@H](N)C(O)=O AK-81271 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.23 CC(C)C[C@H](O)C(O)=O AK-58745 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK-86154 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK162605 [0,1,0,0,0,0|2,0,0]=3 25 B8R0.23 CC(C)[C@H](N)CC(O)=O AK-45075 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.23 CC(C)[C@H](N)CC(O)=O AK115403 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.23 CC(CC(N(C)C)=O)=O AK129044 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O AK-23909 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK-81270 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK325911 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.23 N[C@H](CC(C)C)C(O)=O AK-49689 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.29 CC(C)(C)OCC(O)=O AK-57788 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.29 O=C(O)CNC(C)(C)C AK-75739 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.3 C[C@@H]1CO[C@@H](C)CN1 AK554540 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AK144819 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AK144820 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.3 N[C@H]1CC[C@@H](C)CC1 AK139194 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.3 N[C@H]1CC[C@H](C)CC1 AK114539 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.3 O=C1NCC(N)CC1 AK132996 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.23 CC(N1CC(O)C1)=O AK-40495 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.23 O=C(C1CC(O)C1)O AK-51692 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.23 O=C(C1CN(C)C1)O AK-67585 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.23 O=C([C@H]1C[C@@H](N)C1)O AK-29496 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O AK-67699 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.23 O=C([C@H]1C[C@H](O)C1)O AK129703 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.51 CC1(C)CCC(=O)N1 AK-90081 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.51 O=C1NCC(C)(C)C1 AK118621 [0,0,0,1,0,0|1,0,0]=2 56 B8R1.51 O=C1OC(C)(C)CC1 AK-44637 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.77 CC1(C)CC1C(O)=O AK-36306 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.77 O=C([C@@H]1C(C)(C)C1)O AK-87982 [0,0,0,1,0,0|2,0,0]=3 59 B6R0.2 C(C(=O)O)N(C)C AK-41194 [0,0,0,0,1,0|2,0,0]=3 60 B6R0.2 CC(C)CB(O)O AK-26354 [0,0,0,0,1,0|2,0,1]=4 61 B6R0.2 CC(C)NC(C)C AK101661 [0,0,0,0,1,0|2,0,1]=4 62 B6R0.2 CC(NC(C)C)=O AK-86542 [0,0,0,0,1,0|1,0,0]=2 63 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,0,0,0,1,0|1,0,2]=4 64 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [0,0,0,0,1,0|2,0,0]=3 65 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [0,0,0,0,1,0|2,0,0]=3 66 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [0,0,0,0,1,0|2,0,0]=3 67 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [0,0,0,0,1,0|2,0,0]=3 68 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [0,0,0,0,1,0|2,0,0]=3 69 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [0,0,0,0,1,0|2,0,0]=3 70 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,0,0,0,1,0|1,0,2]=4 71 B6R0.2 NC(C)CC(C)C AK205814 [0,0,0,0,1,0|1,0,1]=3 72 B6R0.2 O=C([O-])C[S+](C)C AK543883 [0,0,0,0,1,0|2,0,0]=3 73 B6R0.2 S=C(N)CN(C)C AK-74196 [0,0,0,0,1,0|2,1,0]=4 74 B8R0.28 CC(OCOC(C)=O)=O AK112071 [0,0,0,0,0,1|1,0,1]=3 75 B8R0.28 O=C(O)CCCN(C)C AK-50053 [0,0,0,0,0,1|3,0,0]=4 76 B8R0.28 O=C(O)\C=C\CN(C)C AK-44120 [0,0,0,0,0,1|3,0,0]=4 77 B8R0.28 O=C(O)\C=C\CN(C)C AK164346 [0,0,0,0,0,1|3,0,0]=4 78 B5R0.1 C(C(=O)O)NC AK-47434 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.1 CNCC(N)=O AK-90265 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.1 C[C@@H](N)CCC AK608015 [2,0,0,0,0,0|1,0,1]=4 81 B5R0.1 C[C@@H](N)COC AK-72611 [2,0,0,0,0,0|1,0,0]=3 82 B5R0.1 C[C@H](N)CCC AK171191 [2,0,0,0,0,0|1,0,1]=4 83 B5R0.1 NCCC(N)=O AK-26218 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.1 NCCC(O)=O AK-41261 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.1 NOCC(C)C AK-83418 [2,0,0,0,0,0|1,0,0]=3 86 B5R0.1 O=C(N)CSC AK-34209 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.1 O=CCN(C)C AK136086 [2,0,0,0,0,0|1,0,0]=3 88 B5R0.1 O=CCN(C)C AK172998 [2,0,0,0,0,0|1,0,0]=3 89 B5R0.2 CNOCCN AK155896 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.2 CCC(N)CC(O)=O AK-45971 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.3 CCCCC(NN)=O AK114657 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.3 O=C(OC)CCCBr AK-94853 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.3 O=C(OC)CCNC AK-85857 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.4 CC(OCCCCl)=O AK167628 [1,1,0,0,0,0|0,0,0]=2 97 B7R0.4 COCCCC(O)=O AK-76729 [1,1,0,0,0,0|2,0,0]=4 98 B7R0.4 NC(OCCCC)=O AK116656 [1,1,0,0,0,0|1,0,0]=3 99 B7R0.4 O=C(N)COCCCl AK113880 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.4 O=C(O)CCCCBr AK113954 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.4 O=C(O)CCCCCl AK139351 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.4 O=C(O)CCCCO AK198817 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.9 CC(C)(N)CC(O)=O AK-40032 [0,1,0,0,1,0|1,0,0]=3 107 B7R0.9 CS(=O)(OC(C)C)=O AK117725 [0,1,0,0,1,0|1,0,0]=3 108 B7R0.9 NC(CC(=O)O)(C)C AK-35892 [0,1,0,0,1,0|1,0,0]=3 109 B7R0.9 NC(OC(C)(C)C)=O AK-40118 [0,1,0,0,1,0|1,0,0]=3 110 B7R0.9 O=C([O-])C[N+](C)(C)C AK161873 [0,1,0,0,1,0|2,0,0]=4 111 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [0,1,0,0,1,0|1,0,1]=4 112 B7R0.16 CC(C)C(C([O-])=O)=O AK109059 [0,1,0,0,1,0|1,0,1]=4 113 B7R0.16 CC(C)C(C)C(O)=O AK-78535 [0,1,0,0,1,0|1,0,0]=3 114 B7R0.16 CC(C)C(N)C(C)C AK167760 [0,1,0,0,1,0|1,0,1]=4 115 B7R0.16 CC(C)C(O)C(O)=O AK140040 [0,1,0,0,1,0|1,0,0]=3 116 B7R0.16 CC(C)[C@H](N)C(O)=O AK-93420 [0,1,0,0,1,0|1,0,0]=3 117 B7R0.16 CC(C)[C@H](O)C(O)=O AK146081 [0,1,0,0,1,0|1,0,0]=3 118 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O AK-44858 [0,1,0,0,1,0|2,0,0]=4 119 B7R0.16 C[C@H](N(C)C)C(O)=O AK130686 [0,1,0,0,1,0|2,0,0]=4 120 B7R0.16 C[C@H](O)[C@@H](N)C(O)=O AK-76468 [0,1,0,0,1,0|2,0,0]=4 121 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O AK-51518 [0,1,0,0,1,0|2,0,0]=4 122 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O AK-81288 [0,1,0,0,1,0|2,0,0]=4 123 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O AK-46647 [0,1,0,0,1,0|2,0,0]=4 124 B7R0.16 N[C@H](C(C)C)C(N)=O AK-49356 [0,1,0,0,1,0|1,0,0]=3 125 B7R0.16 N[C@H]([C@H](O)C)C(O)=O AK-47520 [0,1,0,0,1,0|2,0,0]=4 126 B7R0.16 [C@H](N)(C(C)C)C(N)=O AK-81293 [0,1,0,0,1,0|1,0,0]=3 127 B9R0.7 [C@H](N)(CCC(C)C)C(O)=O AK-34655 [0,1,0,0,0,1|2,0,0]=4 128 B9R0.53 CC(C)CC(N)CC(O)=O AK-34862 [0,1,0,0,0,1|2,0,0]=4 129 B9R0.53 CC(C)C[C@H](N)CC(O)=O AK-44602 [0,1,0,0,0,1|2,0,0]=4 130 B9R0.53 CC(C)C[C@H](N)CC(O)=O AK-89143 [0,1,0,0,0,1|2,0,0]=4 131 B9R0.56 CC(=O)SCC[N+](C)(C)C AK-47972 [0,1,0,0,0,1|1,1,0]=4 132 B9R0.56 C[N+](C)(C)CCOC(C)=O AK307467 [0,1,0,0,0,1|1,0,0]=3 133 B9R0.23 CC(C)C[C@@H](N)C(OC)=O AK-49948 [0,2,0,0,0,0|1,0,0]=3 134 B9R0.23 CN(CC(C(CC)=O)C)C AK-35427 [0,2,0,0,0,0|2,0,0]=4 135 B9R0.23 ClCC([C@@H](N)CC(C)C)=O AK-89151 [0,2,0,0,0,0|1,0,0]=3 136 B9R0.23 N[C@@H](CC(C)C)C(OC)=O AK-47588 [0,2,0,0,0,0|1,0,0]=3 137 B9R0.42 CC(C(CC(=O)OC)=O)C AK-46521 [0,2,0,0,0,0|1,0,1]=4 138 B9R0.42 CCC(OC(Cl)C(C)C)=O AK-80455 [0,2,0,0,0,0|0,0,0]=2 139 B9R0.11 CC(C)C[C@@](C)(N)C(O)=O AK167463 [0,2,0,0,0,0|2,0,0]=4 140 B9R0.39 CC(C)C[C@@H](CN)C(O)=O AK119214 [0,2,0,0,0,0|2,0,0]=4 141 B9R0.39 CC(C)C[C@H](CN)C(O)=O AK119217 [0,2,0,0,0,0|2,0,0]=4 142 B9R0.39 CC(C)C[C@H](NC)C(O)=O AK107655 [0,2,0,0,0,0|2,0,0]=4 143 B9R0.57 CC(C)(C)C[C@@H](N)C(O)=O AK130118 [0,2,0,0,0,0|2,0,0]=4 144 B9R0.57 CC(C)(F)C[C@H](N)C(O)=O AK314940 [0,2,0,0,0,0|2,0,0]=4 145 B9R0.79 CC(C)[C@H](O)[C@H](N)C(O)=O AK122524 [0,2,0,0,0,0|2,0,0]=4 146 B7R1.2 FC1COC(=O)O1 AK111108 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [1,0,0,1,0,0|1,0,0]=3 149 B7R1.2 O=C1NCC(O)C1 AK-64271 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [1,0,0,1,0,0|2,0,0]=4 152 B7R1.2 O=C1OC(C)CC1 AK117314 [1,0,0,1,0,0|2,0,0]=4 153 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [1,0,0,1,0,0|1,0,0]=3 154 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [1,0,0,1,0,0|1,0,0]=3 155 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [1,0,0,1,0,0|1,0,0]=3 156 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [1,0,0,1,0,0|2,0,0]=4 157 B7R1.3 C1C(=O)CCNC1 AK-46400 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.3 CC1NCCOC1 AK-35119 [1,0,0,1,0,0|1,0,1]=4 159 B7R1.3 C[C@@H]1CNCCC1 AK141528 [1,0,0,1,0,0|1,0,1]=4 160 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [1,0,0,1,0,0|1,0,1]=4 161 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [1,0,0,1,0,0|1,0,1]=4 162 B7R1.3 C[C@H]1CNCCC1 AK-93998 [1,0,0,1,0,0|1,0,1]=4 163 B7R1.3 C[C@H]1NCCOC1 AK-39747 [1,0,0,1,0,0|1,0,1]=4 164 B7R1.3 C[C@H]1NCCOC1 AK-50489 [1,0,0,1,0,0|1,0,1]=4 165 B7R1.3 N[C@@H]1COCCC1 AK-77753 [1,0,0,1,0,0|1,0,1]=4 166 B7R1.3 N[C@H]1COCCC1 AK-77571 [1,0,0,1,0,0|1,0,1]=4 167 B7R1.3 O1CCCC(C1)O AK-32117 [1,0,0,1,0,0|1,0,1]=4 168 B7R1.3 O=C1CCCCO1 AK101117 [1,0,0,1,0,0|0,0,0]=2 169 B7R1.3 O=C1CCCOC1 AK-32516 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.3 O=C1CCOCC1 AK-25731 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.3 O=C1CCSCC1 AK-25499 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.3 O=C1CNCCC1 AK-38925 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.3 O=C1CNCCC1 AK-64363 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.3 O=C1COCCN1 AK-37649 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.3 O=C1CSCCC1 AK112945 [1,0,0,1,0,0|2,0,0]=4 176 B7R1.3 O=C1NCCCN1 AK-40132 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.3 O=C1NCCNC1 AK-26132 [1,0,0,1,0,0|2,0,0]=4 178 B7R1.3 O=C1NCCSC1 AK-94004 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.3 O=C1OCCOC1 AK117129 [1,0,0,1,0,0|1,0,0]=3 180 B7R1.3 O=S1OCCCO1 AK307879 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.10 O=C1CC(CBr)C1 AK135042 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.14 O=S1(OCCC1)=O AK-54023 [1,0,0,1,0,0|2,0,0]=4 183 B7R1.18 O=C(C1CCC1)N AK117552 [1,0,0,1,0,0|2,0,0]=4 184 B9R1.35 CC(N1CC(N)CC1)=O AK148501 [0,0,0,1,0,1|2,0,0]=4 185 B9R1.35 CC(N1CC(O)CC1)=O AK-83647 [0,0,0,1,0,1|2,0,0]=4 186 B9R1.35 CC(N1C[C@H](N)CC1)=O AK144251 [0,0,0,1,0,1|2,0,0]=4 187 B9R1.35 O=C1OC[C@@H](C(C)C)N1 AK-36974 [0,0,0,1,0,1|1,0,0]=3 188 B9R1.35 O=C1OC[C@H](C(C)C)N1 AK-33649 [0,0,0,1,0,1|1,0,0]=3 189 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [0,0,0,1,0,1|2,0,0]=4 190 B9R1.53 CC(OC1CC(C1)=O)=O AK118872 [0,0,0,1,0,1|1,0,1]=4 191 B9R1.53 CC(OC1NC(C1)=O)=O AK-34520 [0,0,0,1,0,1|1,0,1]=4 192 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [0,0,0,1,0,1|1,0,0]=3 193 B9R1.66 O=C1CC(C)(C)NCC1 AK158739 [0,0,0,1,0,1|1,0,0]=3 194 B9R1.66 O=C1CC(C)(C)OCC1 AK-25320 [0,0,0,1,0,1|1,0,0]=3 195 B9R1.1 C1(CCC(=O)CC1)CC AK-47285 [0,1,0,1,0,0|1,0,0]=3 196 B9R1.1 N#CC1CCC(CC1)=O AK-46872 [0,1,0,1,0,0|1,0,1]=4 197 B9R1.1 O=C1CCC(CO)CC1 AK114473 [0,1,0,1,0,0|1,0,0]=3 198 B9R1.1 O=C1CCC(NC)CC1 AK-43402 [0,1,0,1,0,0|1,0,0]=3 199 B9R1.1 O=C1CCC(OC)CC1 AK-58310 [0,1,0,1,0,0|1,0,0]=3 200 B9R1.1 O=C1NCC(CO)CC1 AK-88773 [0,1,0,1,0,0|1,0,0]=3 201 B9R1.1 O=CC1CCC(CC1)=O AK-46502 [0,1,0,1,0,0|1,0,1]=4 202 B9R1.10 C1(CCC(CC1)=O)(C)C AK-32039 [0,1,0,1,0,0|1,0,0]=3 203 B9R1.10 FC1(CCC(CC1)=O)F AK-39536 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.10 O=C1C=CC(C)(C)CC1 AK-49233 [0,1,0,1,0,0|1,0,1]=4 205 B9R1.10 O=C1COC(C)(C)OC1 AK-36260 [0,1,0,1,0,0|2,0,0]=4 206 B9R1.10 O=C1NCC(C)(O)CC1 AK151491 [0,1,0,1,0,0|1,0,0]=3 207 B9R1.69 CC1CCC(=O)NC1=O AK-80663 [0,1,0,1,0,0|1,0,1]=4 208 B9R1.69 O=C1C(C)CN(C)CC1 AK-31130 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.69 O=C1CC(C(CN1)C)=O AK-24495 [0,1,0,1,0,0|1,0,1]=4 210 B9R1.69 O=C1N(C)C[C@@H](C)NC1 AK188522 [0,1,0,1,0,0|2,0,0]=4 211 B9R1.69 O=C1N(C)C[C@H](C)NC1 AK188521 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.82 COC(=O)C1CC(Cl)C1 AK-87277 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.82 O=C(C1CC(O)C1)OC AK-64949 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.82 O=C([C@H]1C[C@@H](N)C1)OC AK129632 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.82 O=C([C@H]1C[C@@H](O)C1)OC AK155438 [0,1,0,1,0,0|2,0,0]=4 216 B9R1.82 O=C([C@H]1C[C@H](O)C1)OC AK137942 [0,1,0,1,0,0|2,0,0]=4 217 B9R1.138 O=C1OCC(C)(C)C1O AK114317 [0,1,0,1,0,0|0,0,0]=2 218 B9R1.38 CC1(C(OC(C1)=O)=O)C AK-46649 [0,1,0,1,0,0|0,0,1]=3 219 B9R1.112 O=C(O)[C@@H](N)CC1CC1 AK-46409 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.112 O=C(O)[C@H](N)CC1CC1 AK-44500 [0,1,0,1,0,0|2,0,0]=4 221 B9R1.137 CC(CC(C1CC1)=O)=O AK-84405 [0,1,0,1,0,0|1,0,1]=4 222 B9R1.164 CC1(C)CC(C1)C(O)=O AK-74159 [0,1,0,1,0,0|2,0,0]=4 223 B5R0.5 CC(C)C(N)=O AK-80490 [0,0,0,0,2,0|1,0,0]=3 224 B5R0.5 CC(O)C([O-])=O AK114515 [0,0,0,0,2,0|2,0,0]=4 225 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [0,0,0,0,2,0|2,0,0]=4 226 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [0,0,0,0,2,0|2,0,0]=4 227 B5R0.5 C[C@H](N)C(N)=O AK-46287 [0,0,0,0,2,0|2,0,0]=4 228 B5R0.5 C[C@H](O)C([O-])=O AK121770 [0,0,0,0,2,0|2,0,0]=4 229 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [0,0,0,0,2,0|2,0,0]=4 230 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [0,0,0,0,2,0|2,0,0]=4 231 B5R0.5 N[C@@H](C)C(O)=O AK650445 [0,0,0,0,2,0|2,0,0]=4