0 B6R0.2 C(C(=O)O)N(C)C AK-41194 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 CC(=O)NC(N)=N AK-47569 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 CC(C)CB(O)O AK-26354 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(C)NC(C)C AK101661 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(NC(C)C)=O AK-86542 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,0,0,0,0,0|1,0,2]=3 13 B6R0.2 NC(C)CC(C)C AK205814 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.2 O=C([O-])C[S+](C)C AK543883 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.2 OC(=O)CC(O)=O AK-98172 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.2 S=C(N)CN(C)C AK-74196 [0,0,0,0,0,0|2,1,0]=3 17 B5R0.1 C#CCC(O)=O AK106962 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.1 C(C#N)C(N)=O AK-73131 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 C(C(=O)O)NC AK-47434 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CC#CC(O)=O AK-49957 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.1 CC(N)CCO AK-81869 [1,0,0,0,0,0|1,0,2]=4 22 B5R0.1 CCCB(O)O AK-47948 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CN(CCBr)C AK-35597 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CNCC(N)=O AK-90265 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 C[C@@H](N)CC#N AK203337 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 C[C@@H](N)CCC AK608015 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 C[C@@H](N)CCO AK-41725 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.1 C[C@@H](N)COC AK-72611 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 C[C@@H](O)CCO AK-86774 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.1 C[C@H](N)CC#N AK173140 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 C[C@H](N)CCC AK171191 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.1 C[C@H](N)CCO AK-41726 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.1 N=C(N)COC AK-86295 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 NCCC(N)=O AK-26218 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 NCCC(O)=O AK-41261 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 NOCC(C)=C AK550273 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 NOCC(C)C AK-83418 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 O=C(N)CSC AK-34209 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 O=CCN(C)C AK136086 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 O=CCN(C)C AK172998 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.1 O=P(CCN)O AK477259 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 [O+](=C(N)N)CC AK-50388 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.2 CCC(N)CC(O)=O AK-45971 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.2 CN(C)C=C(C)C=O AK-79155 [0,1,0,0,0,0|1,0,1]=3 47 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,1,0,0,0,0|1,0,0]=2 49 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.2 N[C@@H](CC(C)C)CO AK-47555 [0,1,0,0,0,0|1,0,1]=3 51 B7R0.2 N[C@@H](CO)CC(O)=O AK-23884 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.2 N[C@H](CC(C)C)CO AK-43973 [0,1,0,0,0,0|1,0,1]=3 53 B7R0.2 O=C(NN)CN(C)C AK-86297 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.2 O=C(O)CC(OC)=O AK-77136 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.2 O=C(O)C[C@H](N)CO AK-72526 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.2 O=C(OC)CC(N)=O AK127795 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,1,0,0,0,0|1,0,0]=2 58 B7R0.9 CC(C)(N)CC(O)=O AK-40032 [0,1,0,0,0,0|1,0,0]=2 59 B7R0.9 CS(=O)(=O)CC(O)=O AK-82795 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.9 CS(=O)(OC(C)C)=O AK117725 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.9 NC(CC(=O)O)(C)C AK-35892 [0,1,0,0,0,0|1,0,0]=2 62 B7R0.9 NC(OC(C)(C)C)=O AK-40118 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.9 O=C([O-])C[N+](C)(C)C AK161873 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.16 CC(C)C(C(O)=O)=O AK-82417 [0,1,0,0,0,0|1,0,1]=3 65 B7R0.16 CC(C)C(C([O-])=O)=O AK109059 [0,1,0,0,0,0|1,0,1]=3 66 B7R0.16 CC(C)C(C)C(O)=O AK-78535 [0,1,0,0,0,0|1,0,0]=2 67 B7R0.16 CC(C)C(N)C(C)C AK167760 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.16 CC(C)C(O)C(O)=O AK140040 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.16 CC(C)[C@H](N)C(O)=O AK-93420 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.16 CC(C)[C@H](O)C(O)=O AK146081 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.16 CN(C(C(=O)O)=O)C AK-49052 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O AK-44858 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.16 C[C@H](N(C)C)C(O)=O AK130686 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.16 C[C@H](O)[C@@H](N)C(O)=O AK-76468 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O AK-51518 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O AK-81288 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O AK-46647 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.16 N[C@H](C(C)C)C(N)=O AK-49356 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.16 N[C@H]([C@H](O)C)C(O)=O AK-47520 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.16 [C@H](N)(C(C)C)C(N)=O AK-81293 [0,1,0,0,0,0|1,0,0]=2 81 B7R1.2 CN1CCC(Br)C1 AK-43626 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.2 CN1C[C@H](O)CC1 AK-44894 [0,0,0,1,0,0|1,0,2]=4 83 B7R1.2 FC1COC(=O)O1 AK111108 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.2 N[C@@H]1CC[C@H](O)C1 AK105087 [0,0,0,1,0,0|1,0,2]=4 85 B7R1.2 N[C@@H]1CN(C)CC1 AK149723 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.2 N[C@H]1C[C@H](N)CC1 AK146331 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.2 N[C@H]1C[C@H](O)CC1 AK-65339 [0,0,0,1,0,0|1,0,2]=4 90 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.2 O=C1CCC(O1)=O AK139125 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.2 O=C1COC(C)=C1 AK142223 [0,0,0,1,0,0|1,0,2]=4 93 B7R1.2 O=C1NC(CC1)=O AK550047 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,0,0,1,0,0|1,0,2]=4 98 B7R1.2 O=C1OC(C)CC1 AK117314 [0,0,0,1,0,0|1,0,0]=2 99 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.2 OC1CC(N)CC1 AK-64395 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.2 OC1CN(C)CC1 AK-29830 [0,0,0,1,0,0|1,0,2]=4 104 B7R1.2 O[C@@H]1CN(C)CC1 AK-44893 [0,0,0,1,0,0|1,0,2]=4 105 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,0,0,1,0,0|2,0,0]=3 106 B7R1.2 O[C@@H]1C[C@@H](N)CC1 AK122534 [0,0,0,1,0,0|1,0,2]=4 107 B7R1.12 O=C(C1C(F)C1)O AK-73995 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.12 O=C([C@H]1[C@@H](F)C1)O AK161119 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.12 O=C([C@H]1[C@H](F)C1)O AK161248 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.16 O[C@@]1(C)C[C@@H](N)C1 AK188530 [0,0,0,1,0,0|1,0,2]=4 111 B5R0.5 CC(B(O)O)C AK-46096 [0,0,0,0,1,0|2,0,1]=4 112 B5R0.5 CC(C)C(N)=O AK-80490 [0,0,0,0,1,0|1,0,0]=2 113 B5R0.5 CC(O)C([O-])=O AK114515 [0,0,0,0,1,0|2,0,0]=3 114 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [0,0,0,0,1,0|2,0,0]=3 115 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [0,0,0,0,1,0|2,0,0]=3 116 B5R0.5 C[C@H](N)C(N)=O AK-46287 [0,0,0,0,1,0|2,0,0]=3 117 B5R0.5 C[C@H](O)C([O-])=O AK121770 [0,0,0,0,1,0|2,0,0]=3 118 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [0,0,0,0,1,0|2,0,0]=3 119 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [0,0,0,0,1,0|2,0,0]=3 120 B5R0.5 N[C@@H](C)C(O)=O AK650445 [0,0,0,0,1,0|2,0,0]=3 121 B5R0.5 O=C([O-])C(Cl)Cl AK161750 [0,0,0,0,1,0|3,0,0]=4 122 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [0,0,0,0,0,1|2,0,1]=4 123 B7R0.6 CC(=O)NCC(O)=O AK-49883 [0,0,0,0,0,1|2,0,1]=4 124 B7R0.6 CC(NNC(C)C)=O AK118752 [0,0,0,0,0,1|1,0,0]=2 125 B7R0.6 C[S+](CCC(O)=O)C AK114711 [0,0,0,0,0,1|2,0,0]=3 126 B7R0.6 O=C(O)CCN(C)C AK-33348 [0,0,0,0,0,1|2,0,0]=3 127 B4R0.1 C(N)C(=O)C AK-42698 [2,0,0,0,0,0|1,0,0]=3 128 B4R0.1 CC(C)ON AK-81639 [2,0,0,0,0,0|2,0,0]=4 129 B4R0.1 CC(NN)C AK-46728 [2,0,0,0,0,0|2,0,0]=4 130 B4R0.1 CCC(N)=N AK-48186 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.1 C[C@@H](N)CO AK-46726 [2,0,0,0,0,0|1,0,1]=4 132 B4R0.1 C[C@@H](O)CCl AK-73033 [2,0,0,0,0,0|2,0,0]=4 133 B4R0.1 C[C@@H](O)CN AK-76466 [2,0,0,0,0,0|2,0,0]=4 134 B4R0.1 C[C@@H](O)CO AK158454 [2,0,0,0,0,0|1,0,1]=4 135 B4R0.1 C[C@H](N)CN AK-51561 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.1 C[C@H](O)CN AK-72977 [2,0,0,0,0,0|2,0,0]=4 137 B4R0.1 C[C@H](O)CO AK111153 [2,0,0,0,0,0|1,0,1]=4 138 B4R0.1 NC(=O)CI AK110349 [2,0,0,0,0,0|2,0,0]=4 139 B4R0.1 NC(C)CO AK-46466 [2,0,0,0,0,0|1,0,1]=4 140 B4R0.1 NCC(N)=O AK-41459 [2,0,0,0,0,0|2,0,0]=4 141 B4R0.1 O=C(N)CBr AK-50036 [2,0,0,0,0,0|2,0,0]=4 142 B4R0.1 O=C(O)CN AK-77854 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.1 O=C([O-])CN AK114167 [2,0,0,0,0,0|2,0,0]=4 144 B4R0.1 ONC(C)C AK117015 [2,0,0,0,0,0|1,0,1]=4 145 B4R0.2 BrCCNC AK153488 [2,0,0,0,0,0|2,0,0]=4 146 B4R0.2 C=CCCN AK165308 [2,0,0,0,0,0|1,0,1]=4 147 B4R0.2 ClCCNC AK123132 [2,0,0,0,0,0|2,0,0]=4 148 B4R0.2 NNCCC AK-76893 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.1 C#CCC(OC)=O AK-93397 [1,1,0,0,0,0|0,0,2]=4 150 B6R0.1 C(C(NC)=O)C#N AK-35938 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.1 C=CC[C@@H](N)CO AK684514 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.1 CCCC(NN)=O AK-95909 [1,1,0,0,0,0|1,0,0]=3 153 B6R0.1 CCC[C@H](N)CO AK-81386 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.1 O=C(NCC)CN AK-65785 [1,1,0,0,0,0|1,0,0]=3 155 B6R0.1 O=C(NN)COC AK110451 [1,1,0,0,0,0|2,0,0]=4 156 B6R0.1 O=C(OC)CCBr AK-91613 [1,1,0,0,0,0|1,0,0]=3 157 B6R0.1 O=C(OC)CCN AK-46776 [1,1,0,0,0,0|1,0,0]=3 158 B6R0.1 O=C(OC)CCO AK-83355 [1,1,0,0,0,0|1,0,0]=3 159 B6R0.1 O=C(OC)CNC AK-58375 [1,1,0,0,0,0|1,0,0]=3 160 B6R0.1 O=C(OC)OCC AK397345 [1,1,0,0,0,0|1,0,0]=3 161 B6R0.1 O=C(OCC)CO AK-98662 [1,1,0,0,0,0|1,0,0]=3 162 B6R0.1 OCC(O)CNC AK-68394 [1,1,0,0,0,0|2,0,0]=4 163 B6R0.3 C(=O)([C@H](N)CS)O AK-51501 [1,1,0,0,0,0|2,0,0]=4 164 B6R0.3 C(C(C(C)C)N)O AK-46643 [1,1,0,0,0,0|0,0,2]=4 165 B6R0.3 C(C(C(O)=O)N)O AK-46543 [1,1,0,0,0,0|2,0,0]=4 166 B6R0.3 C(C(N)C(O)=O)C AK-46591 [1,1,0,0,0,0|1,0,0]=3 167 B6R0.3 C(S)C(N)C(O)=O AK-73021 [1,1,0,0,0,0|2,0,0]=4 168 B6R0.3 CC(C)C(N)CO AK-62680 [1,1,0,0,0,0|0,0,2]=4 169 B6R0.3 CC(N(CC)C)=O AK149250 [1,1,0,0,0,0|1,0,0]=3 170 B6R0.3 CCC(=O)C(O)=O AK-48379 [1,1,0,0,0,0|1,0,1]=4 171 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [1,1,0,0,0,0|1,0,0]=3 172 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [1,1,0,0,0,0|1,0,0]=3 173 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [1,1,0,0,0,0|1,0,0]=3 174 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [1,1,0,0,0,0|1,0,0]=3 175 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [1,1,0,0,0,0|1,0,0]=3 176 B6R0.3 COC(C)C(O)=O AK-49797 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.3 C[C@H](NC)C(O)=O AK134597 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.3 C[C@H](OC)C(O)=O AK167072 [1,1,0,0,0,0|2,0,0]=4 180 B6R0.3 NC(CO)C(O)=O AK-41368 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.3 N[C@@H](CO)C(N)=O AK-81285 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.3 N[C@@H](CS)C(O)=O AK-48312 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.3 N[C@@H](CS)C(O)=O AK-49861 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.3 N[C@H](CN)C(O)=O AK-31407 [1,1,0,0,0,0|2,0,0]=4 185 B6R0.3 O=C(O)C(C)CBr AK116257 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.3 O=C(O)C(N)CN AK-44800 [1,1,0,0,0,0|2,0,0]=4 187 B6R0.3 O=C(O)C(O)CO AK114312 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.3 O=C(O)[C@@H](N)CN AK-25439 [1,1,0,0,0,0|2,0,0]=4 189 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.3 O=C(O)[C@@H](N)CS AK-61915 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.3 O=C(O)[C@@H](O)CN AK-75855 [1,1,0,0,0,0|2,0,0]=4 192 B6R0.3 O=C(O)[C@H](N)CCl AK-90315 [1,1,0,0,0,0|2,0,0]=4 193 B6R0.3 O=C(O)[C@H](N)CCl AK122809 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.3 O=C(O)[C@H](N)CS AK175126 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.3 [C@@H](N)(C(C)C)CO AK-46511 [1,1,0,0,0,0|0,0,2]=4 196 B6R0.4 CC(C)NCCCl AK110294 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.4 CC(C)OCCBr AK110255 [1,1,0,0,0,0|1,0,1]=4 198 B6R0.4 CC(CCCCl)=O AK-48368 [1,1,0,0,0,0|0,0,0]=2 199 B6R0.4 CC(OCCBr)=O AK165045 [1,1,0,0,0,0|1,0,0]=3 200 B6R0.4 CCCCC([O-])=O AK163205 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.4 CN(C)CCCBr AK-35747 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.4 CN(C)CCCCl AK-25287 [1,1,0,0,0,0|1,0,1]=4 203 B6R0.4 CN(C)CCCCl AK113440 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.4 CN(CCNC)C AK-64867 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.4 NC(OCCC)=O AK116320 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.4 O=C(N)NCCO AK121931 [1,1,0,0,0,0|2,0,0]=4 207 B6R0.4 O=C(O)CCC#N AK-47909 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.4 O=C(O)CCCCl AK113749 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.4 O=C(O)CCCN AK-43987 [1,1,0,0,0,0|1,0,0]=3 210 B6R0.4 O=C(O)CCNC AK155866 [1,1,0,0,0,0|1,0,0]=3 211 B6R0.4 O=C(O)CCOC AK-88477 [1,1,0,0,0,0|1,0,0]=3 212 B6R0.4 OC(=O)CCC#C AK-32594 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.4 OCNCC(=O)[O-] AK-79027 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.5 CC(C)(N)CCO AK146046 [1,1,0,0,0,0|0,0,2]=4 215 B6R0.5 CCCS(=O)(N)=O AK113525 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.5 CS(=O)(OCC)=O AK544582 [1,1,0,0,0,0|2,0,0]=4 217 B6R0.5 NCC[S](=O)(=O)C AK-39784 [1,1,0,0,0,0|2,0,0]=4 218 B6R0.7 CC(C(O)=O)(C)N AK-47379 [0,1,0,0,1,0|1,0,0]=3 219 B6R0.7 CC(C)(Br)C(N)=O AK-65163 [0,1,0,0,1,0|1,0,0]=3 220 B6R0.7 CC(C)(C)C(N)=N AK113616 [0,1,0,0,1,0|2,0,0]=4 221 B6R0.7 CC(C)(C)C([O-])=O AK160916 [0,1,0,0,1,0|1,0,0]=3 222 B6R0.7 CC(C)(C)C([O-])=O AK311585 [0,1,0,0,1,0|1,0,0]=3 223 B6R0.7 CC(C)(C)[S@@](=O)N AK-27064 [0,1,0,0,1,0|2,0,0]=4 224 B6R0.7 CC(C)(C)[S@](=O)N AK-25810 [0,1,0,0,1,0|2,0,0]=4 225 B6R0.7 CC(C)(C)[S](=O)N AK-25434 [0,1,0,0,1,0|2,0,0]=4 226 B6R0.7 CC(C)(O)C(N)=O AK-57348 [0,1,0,0,1,0|1,0,0]=3 227 B6R0.7 CC(F)(F)C(O)=O AK109307 [0,1,0,0,1,0|2,0,0]=4 228 B6R0.7 CC(S(=O)(N)=O)C AK108357 [0,1,0,0,1,0|2,0,0]=4 229 B6R0.7 O=C(N)C(C)(C)C AK208951 [0,1,0,0,1,0|1,0,0]=3 230 B6R0.7 O=C([O-])C(C)(C)C AK208709 [0,1,0,0,1,0|1,0,0]=3 231 B8R0.9 C=CC(OCC(O)C)=O AK110453 [0,1,0,0,0,1|1,0,1]=4 232 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [0,1,0,0,0,1|1,0,1]=4 233 B8R0.23 C(C(C(O)=O)N)C(C)C AK-47516 [0,1,0,0,0,1|1,0,0]=3 234 B8R0.23 CC(C)C(N)CC(O)=O AK124272 [0,1,0,0,0,1|1,0,0]=3 235 B8R0.23 CC(C)C[C@@H](O)C(O)=O AK-90931 [0,1,0,0,0,1|1,0,0]=3 236 B8R0.23 CC(C)C[C@H](Br)C(O)=O AK549141 [0,1,0,0,0,1|1,0,0]=3 237 B8R0.23 CC(C)C[C@H](N)C(O)=O AK-81271 [0,1,0,0,0,1|1,0,0]=3 238 B8R0.23 CC(C)C[C@H](O)C(O)=O AK-58745 [0,1,0,0,0,1|1,0,0]=3 239 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK-86154 [0,1,0,0,0,1|1,0,0]=3 240 B8R0.23 CC(C)[C@@H](N)CC(O)=O AK162605 [0,1,0,0,0,1|1,0,0]=3 241 B8R0.23 CC(C)[C@H](N)CC(O)=O AK-45075 [0,1,0,0,0,1|1,0,0]=3 242 B8R0.23 CC(C)[C@H](N)CC(O)=O AK115403 [0,1,0,0,0,1|1,0,0]=3 243 B8R0.23 CC(CC(N(C)C)=O)=O AK129044 [0,1,0,0,0,1|1,0,0]=3 244 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O AK-23909 [0,1,0,0,0,1|2,0,0]=4 245 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK-81270 [0,1,0,0,0,1|1,0,0]=3 246 B8R0.23 N[C@@H](CC(C)C)C(N)=O AK325911 [0,1,0,0,0,1|1,0,0]=3 247 B8R0.23 N[C@H](CC(C)C)C(O)=O AK-49689 [0,1,0,0,0,1|1,0,0]=3 248 B8R0.29 CC(C)(C)OCC(O)=O AK-57788 [0,1,0,0,0,1|1,0,0]=3 249 B8R0.29 O=C(O)CNC(C)(C)C AK-75739 [0,1,0,0,0,1|1,0,0]=3 250 B8R0.2 C([C@@H]([C@H](C(=O)[O-])O)O)O AK-74155 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.2 CC(C(C(OC)=O)N)C AK-41529 [0,2,0,0,0,0|0,0,0]=2 252 B8R0.2 CC(C(N)C(OC)=O)=O AK100204 [0,2,0,0,0,0|1,0,1]=4 253 B8R0.2 CC(C)C(N)C(OC)=O AK133088 [0,2,0,0,0,0|0,0,0]=2 254 B8R0.2 CC(C)[C@H](O)C(OC)=O AK146226 [0,2,0,0,0,0|0,0,0]=2 255 B8R0.2 CC(O)C(N)C(OC)=O AK-77084 [0,2,0,0,0,0|1,0,0]=3 256 B8R0.2 CC[C@H](C)[C@@H](N)C(O)=O AK-72869 [0,2,0,0,0,0|1,0,0]=3 257 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O AK-41239 [0,2,0,0,0,0|1,0,0]=3 258 B8R0.2 C[C@@H](O)[C@@H](N)C(OC)=O AK162652 [0,2,0,0,0,0|1,0,0]=3 259 B8R0.2 C[C@H](O)[C@H](N)C(OC)=O AK-90375 [0,2,0,0,0,0|1,0,0]=3 260 B8R0.2 N[C@@H](C(C)C)C(OC)=O AK-47574 [0,2,0,0,0,0|0,0,0]=2 261 B8R0.2 N[C@@H]([C@@H](C)CC)C(O)=O AK-50075 [0,2,0,0,0,0|1,0,0]=3 262 B8R0.2 N[C@@H]([C@H](O)C)C(OC)=O AK-49761 [0,2,0,0,0,0|1,0,0]=3 263 B8R0.2 N[C@@H]([C@H](OC)C)C(O)=O AK-41699 [0,2,0,0,0,0|1,0,0]=3 264 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [0,2,0,0,0,0|1,0,0]=3 265 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [0,2,0,0,0,0|1,0,0]=3 266 B8R0.5 C=CC[C@@H](N)CC(O)=O AK111359 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [0,2,0,0,0,0|2,0,0]=4 269 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [0,2,0,0,0,0|1,0,0]=3 270 B8R0.16 O=C\C(OC)=C/N(C)C AK-25392 [0,2,0,0,0,0|1,0,1]=4 271 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [0,2,0,0,0,0|1,0,1]=4 272 B8R0.19 CCC(CC(CC)=O)=O AK-88511 [0,2,0,0,0,0|1,0,1]=4 273 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [0,2,0,0,0,0|1,0,0]=3 274 B8R0.19 CNC(C)=CC(=O)OC AK-89549 [0,2,0,0,0,0|0,0,2]=4 275 B8R0.24 CC(C)(C)OC(=O)CN AK-84881 [0,2,0,0,0,0|1,0,0]=3 276 B8R0.24 CC(C)(C)OC(=O)CO AK-77037 [0,2,0,0,0,0|1,0,0]=3 277 B8R0.24 CC(OC(NN)=O)(C)C AK-47385 [0,2,0,0,0,0|2,0,0]=4 278 B8R0.24 CC(OC(NO)=O)(C)C AK-47671 [0,2,0,0,0,0|2,0,0]=4 279 B8R0.24 O=C(OC(C)(C)C)CI AK130198 [0,2,0,0,0,0|1,0,0]=3 280 B8R0.24 O=C(OC(C)(C)C)CN AK-46074 [0,2,0,0,0,0|1,0,0]=3 281 B8R0.24 O=C(OC(C)(C)C)NC AK-77399 [0,2,0,0,0,0|1,0,0]=3 282 B8R0.24 O=C(OC)CS(=O)(C)=O AK307503 [0,2,0,0,0,0|2,0,0]=4 283 B8R0.27 CC(C)(C)C(N)C(O)=O AK-46692 [0,2,0,0,0,0|1,0,0]=3 284 B8R0.27 CC(C)(C)[C@H](N)C(N)=O AK164248 [0,2,0,0,0,0|1,0,0]=3 285 B8R0.27 CC(C)(C)[C@H](N)C(O)=O AK-47550 [0,2,0,0,0,0|1,0,0]=3 286 B8R0.27 CC(C)(C)[C@H](O)C(O)=O AK135563 [0,2,0,0,0,0|1,0,0]=3 287 B8R0.27 CC(C)(O)[C@@H](N)C(O)=O AK-34222 [0,2,0,0,0,0|1,0,0]=3 288 B8R0.27 CC(C)(O)[C@H](N)C(O)=O AK-34221 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.27 N[C@H](C(C)(C)C)C(=O)O AK-47336 [0,2,0,0,0,0|1,0,0]=3 290 B8R0.18 CC(C)[C@@H](C(O)=O)NC AK509708 [0,2,0,0,0,0|1,0,0]=3 291 B8R0.18 CC(C)[C@@H](CN)C(O)=O AK119228 [0,2,0,0,0,0|1,0,0]=3 292 B8R0.18 CC(C)[C@@H](NC)C(O)=O AK-89028 [0,2,0,0,0,0|1,0,0]=3 293 B8R0.18 CC(C)[C@H](CN)C(O)=O AK119232 [0,2,0,0,0,0|1,0,0]=3 294 B8R0.18 C[C@@H](O)[C@@H](C(O)=O)NC AK307143 [0,2,0,0,0,0|2,0,0]=4 295 B8R0.37 C(C(=O)N)(N)(C(C)C)C AK-24703 [0,2,0,0,0,0|1,0,0]=3 296 B8R0.37 CC(C)[C@@](C)(N)C(O)=O AK163535 [0,2,0,0,0,0|1,0,0]=3 297 B6R1.2 C1C(COC1)O AK-46125 [1,0,0,1,0,0|2,0,0]=4 298 B6R1.2 CC1CNCC1 AK-46149 [1,0,0,1,0,0|1,0,0]=3 299 B6R1.2 C[C@@H]1CCCN1 AK-28779 [1,0,0,1,0,0|1,0,1]=4 300 B6R1.2 C[C@@H]1CNCC1 AK-45142 [1,0,0,1,0,0|1,0,0]=3 301 B6R1.2 FC1CNCC1 AK-38962 [1,0,0,1,0,0|2,0,0]=4 302 B6R1.2 F[C@@H]1CCNC1 AK-30244 [1,0,0,1,0,0|2,0,0]=4 303 B6R1.2 F[C@H]1CCNC1 AK-32303 [1,0,0,1,0,0|2,0,0]=4 304 B6R1.2 IC1COCC1 AK162325 [1,0,0,1,0,0|2,0,0]=4 305 B6R1.2 I[C@H]1COCC1 AK170642 [1,0,0,1,0,0|2,0,0]=4 306 B6R1.2 N1CCC(O)C1 AK-27184 [1,0,0,1,0,0|2,0,0]=4 307 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [1,0,0,1,0,0|1,0,1]=4 308 B6R1.2 NC1=NCCC1 AK-81762 [1,0,0,1,0,0|2,0,0]=4 309 B6R1.2 NC1CC=CC1 AK-44792 [1,0,0,1,0,0|1,0,1]=4 310 B6R1.2 NC1CNCC1 AK-24781 [1,0,0,1,0,0|2,0,0]=4 311 B6R1.2 NC1COCC1 AK-25569 [1,0,0,1,0,0|2,0,0]=4 312 B6R1.2 N[C@@H]1CNCC1 AK-46300 [1,0,0,1,0,0|2,0,0]=4 313 B6R1.2 N[C@@H]1COCC1 AK-32266 [1,0,0,1,0,0|2,0,0]=4 314 B6R1.2 N[C@H]1CNCC1 AK-47751 [1,0,0,1,0,0|2,0,0]=4 315 B6R1.2 N[C@H]1CNCC1 AK-80471 [1,0,0,1,0,0|2,0,0]=4 316 B6R1.2 O1CC[C@H](C1)N AK-32944 [1,0,0,1,0,0|2,0,0]=4 317 B6R1.2 O=C1CCNC1 AK-46584 [1,0,0,1,0,0|1,0,0]=3 318 B6R1.2 O=C1CCOC1 AK-27035 [1,0,0,1,0,0|1,0,0]=3 319 B6R1.2 O=C1CSCC1 AK-40135 [1,0,0,1,0,0|1,0,0]=3 320 B6R1.2 O=C1NNCC1 AK-46169 [1,0,0,1,0,0|2,0,0]=4 321 B6R1.2 O=C1NOCC1 AK122832 [1,0,0,1,0,0|2,0,0]=4 322 B6R1.2 O=C1OCCN1 AK-94050 [1,0,0,1,0,0|2,0,0]=4 323 B6R1.2 O=C1OCCO1 AK101077 [1,0,0,1,0,0|2,0,0]=4 324 B6R1.2 O=C1SCCN1 AK-89361 [1,0,0,1,0,0|2,0,0]=4 325 B6R1.2 OC1CNCC1 AK-53403 [1,0,0,1,0,0|2,0,0]=4 326 B6R1.2 OC1CNCC1 AK134933 [1,0,0,1,0,0|2,0,0]=4 327 B6R1.2 O[C@@H]1CCNC1 AK-32737 [1,0,0,1,0,0|2,0,0]=4 328 B6R1.2 O[C@@H]1CCOC1 AK-36591 [1,0,0,1,0,0|2,0,0]=4 329 B6R1.2 O[C@@H]1CNCC1 AK-32613 [1,0,0,1,0,0|2,0,0]=4 330 B6R1.2 O[C@@H]1CNCC1 AK-33013 [1,0,0,1,0,0|2,0,0]=4 331 B6R1.2 O[C@H]1CCOC1 AK-36590 [1,0,0,1,0,0|2,0,0]=4 332 B6R1.2 O[C@H]1CNCC1 AK-25701 [1,0,0,1,0,0|2,0,0]=4 333 B6R1.3 NCCC1CC1 AK-88169 [1,0,0,1,0,0|1,0,1]=4 334 B6R1.3 NOCC1CC1 AK110167 [1,0,0,1,0,0|2,0,0]=4 335 B6R1.5 NC1CC(=O)C1 AK-41683 [1,0,0,1,0,0|1,0,0]=3 336 B6R1.5 NC1CC(C)C1 AK131965 [1,0,0,1,0,0|1,0,1]=4 337 B6R1.10 CC1(C)CNC1 AK139188 [1,0,0,1,0,0|1,0,0]=3 338 B6R1.10 NC1(C)CCC1 AK117597 [1,0,0,1,0,0|1,0,1]=4 339 B6R1.10 NC1(C)COC1 AK-57022 [1,0,0,1,0,0|2,0,0]=4 340 B6R1.10 OC1(C)CNC1 AK142848 [1,0,0,1,0,0|2,0,0]=4 341 B6R1.10 OC1(C)COC1 AK112914 [1,0,0,1,0,0|2,0,0]=4 342 B6R1.11 CC(N)C1CC1 AK-59911 [1,0,0,1,0,0|1,0,1]=4 343 B6R1.11 C[C@H](N)C1CC1 AK166914 [1,0,0,1,0,0|1,0,1]=4 344 B6R1.11 N=C(C1CC1)N AK-61863 [1,0,0,1,0,0|2,0,0]=4 345 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,0,0,1,0,1|1,0,0]=3 346 B8R1.3 C[C@@H]1CO[C@@H](C)CN1 AK554540 [0,0,0,1,0,1|0,0,2]=4 347 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AK144819 [0,0,0,1,0,1|0,0,2]=4 348 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AK144820 [0,0,0,1,0,1|0,0,2]=4 349 B8R1.3 N[C@H]1CC[C@@H](C)CC1 AK139194 [0,0,0,1,0,1|1,0,1]=4 350 B8R1.3 N[C@H]1CC[C@H](C)CC1 AK114539 [0,0,0,1,0,1|1,0,1]=4 351 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [0,0,0,1,0,1|1,0,1]=4 352 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [0,0,0,1,0,1|1,0,1]=4 353 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,0,0,1,0,1|1,0,0]=3 354 B8R1.3 O=C1NCC(N)CC1 AK132996 [0,0,0,1,0,1|1,0,0]=3 355 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,0,0,1,0,1|1,0,0]=3 356 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [0,0,0,1,0,1|1,0,0]=3 357 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,0,0,1,0,1|1,0,0]=3 358 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,0,0,1,0,1|1,0,0]=3 359 B8R1.23 CC(N1CC(O)C1)=O AK-40495 [0,0,0,1,0,1|1,0,0]=3 360 B8R1.23 O=C(C1CC(O)C1)O AK-51692 [0,0,0,1,0,1|2,0,0]=4 361 B8R1.23 O=C(C1CN(C)C1)O AK-67585 [0,0,0,1,0,1|2,0,0]=4 362 B8R1.23 O=C([C@H]1C[C@@H](N)C1)O AK-29496 [0,0,0,1,0,1|2,0,0]=4 363 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O AK-67699 [0,0,0,1,0,1|2,0,0]=4 364 B8R1.23 O=C([C@H]1C[C@H](O)C1)O AK129703 [0,0,0,1,0,1|2,0,0]=4 365 B8R1.51 CC1(C)CCC(=O)N1 AK-90081 [0,0,0,1,0,1|1,0,0]=3 366 B8R1.51 O=C1NCC(C)(C)C1 AK118621 [0,0,0,1,0,1|0,0,0]=2 367 B8R1.51 O=C1OC(C)(C)CC1 AK-44637 [0,0,0,1,0,1|1,0,0]=3 368 B8R1.77 CC1(C)CC1C(O)=O AK-36306 [0,0,0,1,0,1|1,0,0]=3 369 B8R1.77 O=C([C@@H]1C(C)(C)C1)O AK-87982 [0,0,0,1,0,1|1,0,0]=3 370 B8R1.1 O=C1NC(CO)CC1 AK114000 [0,1,0,1,0,0|1,0,0]=3 371 B8R1.1 O=C1N[C@@H](CBr)CC1 AK-45071 [0,1,0,1,0,0|1,0,0]=3 372 B8R1.1 O=C1N[C@H](CBr)CC1 AK-45147 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.1 O=C1OC[C@H](CI)N1 AK131031 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.1 O=C1O[C@H](CCl)CN1 AK110469 [0,1,0,1,0,0|2,0,0]=4 375 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [0,1,0,1,0,0|1,0,0]=3 376 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [0,1,0,1,0,0|1,0,0]=3 377 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,1,0,1,0,0|1,0,0]=3 378 B8R1.4 C[C@@H]1CN(C)CCN1 AK158560 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.4 C[C@H]1CN(C)CCN1 AK106695 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,1,0,1,0,0|1,0,1]=4 381 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,1,0,1,0,0|1,0,0]=3 382 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,1,0,1,0,0|0,0,0]=2 383 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,1,0,1,0,0|1,0,1]=4 384 B8R1.4 O=C1CC(COC1)=O AK-32470 [0,1,0,1,0,0|1,0,1]=4 385 B8R1.4 O=C1CSCC(=O)C1 AK-32471 [0,1,0,1,0,0|1,0,1]=4 386 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,1,0,1,0,0|1,0,0]=3 387 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,1,0,1,0,0|1,0,0]=3 390 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.18 CN1C(=O)CC(=N1)C AK-72987 [0,1,0,1,0,0|1,0,1]=4 392 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [0,1,0,1,0,0|1,0,1]=4 393 B8R1.34 CC(OC1CNC1)=O AK-71497 [0,1,0,1,0,0|1,0,0]=3 394 B8R1.34 CC(OC1CNC1)=O AK208566 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.34 CN(C)CC1CNC1 AK131363 [0,1,0,1,0,0|2,0,0]=4 396 B8R1.34 O=C(O)CC1CCC1 AK-76669 [0,1,0,1,0,0|1,0,0]=3 397 B8R1.40 O=C(NC1CC1)CCl AK115237 [0,1,0,1,0,0|1,0,0]=3 398 B8R1.56 O=S(CC1CC1)(N)=O AK-59689 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.50 CC1C(CCC1=O)=O AK-50538 [0,1,0,1,0,0|1,0,1]=4 400 B8R1.50 CC=1CCC(C1O)=O AK103328 [0,1,0,1,0,0|0,0,2]=4 401 B8R1.50 O=C1OC[C@@H](O)[C@H]1O AK158528 [0,1,0,1,0,0|2,0,0]=4 402 B8R1.54 O=C(O)[C@@H](N)C1CC1 AK-44348 [0,1,0,1,0,0|1,0,0]=3 403 B8R1.54 OC(=O)C(=O)C1CC1 AK110685 [0,1,0,1,0,0|1,0,1]=4 404 B8R0.28 CC(OCOC(C)=O)=O AK112071 [0,0,0,0,0,2|1,0,1]=4 405 B8R0.28 O=C(O)CCCN(C)C AK-50053 [0,0,0,0,0,2|2,0,0]=4 406 B8R0.28 O=C(O)\C=C\CN(C)C AK-44120 [0,0,0,0,0,2|2,0,0]=4 407 B8R0.28 O=C(O)\C=C\CN(C)C AK164346 [0,0,0,0,0,2|2,0,0]=4