0 B8R1.1 O=C1NC(CO)CC1 AK114000 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.1 O=C1NCC(OC)=C1 AK142161 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.1 O=C1N[C@@H](CBr)CC1 AK-45071 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.1 O=C1N[C@H](CBr)CC1 AK-45147 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.1 O=C1OC[C@H](CI)N1 AK131031 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.1 O=C1O[C@H](CCl)CN1 AK110469 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.1 BrCC1CCCC1 AK-88361 [1,0,0,0,0,0|2,0,1]=4 9 B7R1.1 BrCC1CCOC1 AK-51697 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.1 BrCC1OCCO1 AK110803 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.1 C(C1CCCC1)O AK-46653 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.1 CCC1=NN=CO1 AK-50871 [1,0,0,0,0,0|2,0,1]=4 13 B7R1.1 CC[C@H]1NCCC1 AK131266 [1,0,0,0,0,0|1,0,1]=3 14 B7R1.1 CNC1COCC1 AK-48592 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.1 COC1CNCC1 AK-33180 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.1 CO[C@@H]1CNCC1 AK-36107 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.1 CO[C@H]1CNCC1 AK-35279 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 NCC1CCCC1 AK-27938 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.1 NCC1CCOC1 AK-33831 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 NCC1COCC1 AK-50648 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.1 NCC1NCCC1 AK-26146 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.1 NC[C@@H]1NCCC1 AK110323 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.1 NC[C@H]1NCCC1 AK-48661 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.1 OCC1CC=CC1 AK-48070 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.1 OCC1CCCN1 AK-40306 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.1 OCC1CNCC1 AK-26048 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.1 OCC1CNCC1 AK-38963 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.1 OCC1CNCC1 AK105115 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.1 OCC1COCC1 AK-51698 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 OCC1OCCC1 AK106959 [1,0,0,0,0,0|1,0,1]=3 31 B7R1.1 OCC1OCCO1 AK159792 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.1 OCC1OCOC1 AK112875 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.1 OC[C@H]1CNCC1 AK-32836 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.1 OC[C@H]1CNCC1 AK108367 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.1 OC[C@H]1COCC1 AK129134 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 OC[C@H]1NCCC1 AK-46693 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.2 FC1COC(=O)O1 AK111108 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.2 O=C1CCC(O1)=O AK139125 [1,0,0,0,0,0|1,0,1]=3 43 B7R1.2 O=C1COC(C)=C1 AK142223 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.2 O=C1NC(CC1)=O AK550047 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.2 O=C1NCC(O)C1 AK-64271 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.2 O=C1OC(C)=CC1 AK601784 [1,0,0,0,0,0|0,0,2]=3 49 B7R1.2 O=C1OC(C)CC1 AK117314 [1,0,0,0,0,0|0,0,0]=1 50 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [1,0,0,0,0,0|1,0,0]=2 52 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [1,0,0,0,0,0|1,0,0]=2 53 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.7 O=C1OC[C@H](CCC)C1 AK543520 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.22 O=C1O[C@H](CO)[C@@H](O)C1 AK-98144 [0,1,0,0,0,0|1,0,0]=2 56 B9R1.35 O=C(C1CCC(N1)=O)O AK-41431 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.35 O=C(C1CCC(O1)=O)O AK154758 [0,1,0,0,0,0|1,0,1]=3 58 B9R1.35 O=C([C@@H]1CC(CC1)=O)O AK100868 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.35 O=C([C@@H]1CCC(N1)=O)O AK-61177 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.35 O=C([C@H]1CC(CC1)=O)O AK-99964 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.35 O=C([C@H]1CCC(N1)=O)O AK-46027 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.35 O=C([C@H]1CCC(O1)=O)O AK-39191 [0,1,0,0,0,0|1,0,1]=3 63 B9R1.35 O=C1CC(CC1)C(=O)O AK-31826 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.35 O=C1CN(C(C)=O)CC1 AK159618 [0,1,0,0,0,0|2,0,1]=4 65 B9R1.35 O=C1OC[C@@H](C(C)C)N1 AK-36974 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.35 O=C1OC[C@H](C(C)C)N1 AK-33649 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.2 CCC(N)CC(O)=O AK-45971 [0,0,1,0,0,0|3,0,0]=4 68 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [0,0,1,0,0,0|3,0,0]=4 69 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [0,0,1,0,0,0|3,0,0]=4 70 B7R0.3 CCCCC(NN)=O AK114657 [0,0,1,0,0,0|3,0,0]=4 71 B7R0.3 CCCCC(O)CO AK161793 [0,0,1,0,0,0|2,0,1]=4 72 B7R0.3 O=C(OC)CCCBr AK-94853 [0,0,1,0,0,0|3,0,0]=4 73 B7R0.3 O=C(OC)CCNC AK-85857 [0,0,1,0,0,0|3,0,0]=4 74 B7R0.4 C#CCCCC(O)=O AK112298 [0,0,1,0,0,0|0,0,2]=3 75 B7R0.4 C(CCC#N)C(O)=O AK-40359 [0,0,1,0,0,0|1,0,1]=3 76 B7R0.4 CC(OCCCCl)=O AK167628 [0,0,1,0,0,0|3,0,0]=4 77 B7R0.4 CCCCCB(O)O AK-46118 [0,0,1,0,0,0|1,0,1]=3 78 B7R0.4 COCCCC(O)=O AK-76729 [0,0,1,0,0,0|1,0,0]=2 79 B7R0.4 NC(OCCCC)=O AK116656 [0,0,1,0,0,0|2,0,0]=3 80 B7R0.4 O=C(N)COCCCl AK113880 [0,0,1,0,0,0|3,0,0]=4 81 B7R0.4 O=C(O)CCCCBr AK113954 [0,0,1,0,0,0|1,0,0]=2 82 B7R0.4 O=C(O)CCCCCl AK139351 [0,0,1,0,0,0|1,0,0]=2 83 B7R0.4 O=C(O)CCCCO AK198817 [0,0,1,0,0,0|1,0,0]=2 84 B7R0.4 O=C(O)\C=C\OCC AK-46090 [0,0,1,0,0,0|1,0,2]=4 85 B9R2.39 C12C=CC(C(N1)=O)C2 AK-29304 [0,0,0,1,0,0|1,0,2]=4 86 B9R2.39 N[C@@H]1[C@@H]2C[C@@H](CC2)C1 AK544021 [0,0,0,1,0,0|2,0,1]=4 87 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 AK-42226 [0,0,0,1,0,0|1,0,0]=2 88 B9R2.39 [C@@H]12C[C@@H](NC1=O)C=C2 AK-26899 [0,0,0,1,0,0|1,0,2]=4 89 B9R2.68 C12OC(CNC1)CC2 AK-32096 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.10 N#CC1CC(C1)=O AK-33992 [0,0,0,0,1,0|2,0,1]=4 91 B7R1.10 O=C1CC(CBr)C1 AK135042 [0,0,0,0,1,0|2,0,0]=3 92 B9R1.1 C1(CCC(=O)CC1)CC AK-47285 [0,0,0,0,0,1|1,0,0]=2 93 B9R1.1 N#CC1CCC(CC1)=O AK-46872 [0,0,0,0,0,1|2,0,1]=4 94 B9R1.1 O=C1CCC(CO)CC1 AK114473 [0,0,0,0,0,1|2,0,0]=3 95 B9R1.1 O=C1CCC(NC)CC1 AK-43402 [0,0,0,0,0,1|2,0,0]=3 96 B9R1.1 O=C1CCC(OC)CC1 AK-58310 [0,0,0,0,0,1|2,0,0]=3 97 B9R1.1 O=C1NCC(CO)CC1 AK-88773 [0,0,0,0,0,1|2,0,0]=3 98 B9R1.1 O=CC1CCC(CC1)=O AK-46502 [0,0,0,0,0,1|2,0,1]=4 99 B9R1.2 O=C1NC(CO)COC1 AK130955 [0,0,0,0,0,1|2,0,0]=3 100 B9R1.2 O=C1NCCC(CO)C1 AK170344 [0,0,0,0,0,1|2,0,0]=3 101 B9R1.2 O=C1NCCN(CC)C1 AK480961 [0,0,0,0,0,1|2,0,0]=3 102 B6R0.1 CCCC(NN)=O AK-95909 [1,0,1,0,0,0|2,0,0]=4 103 B6R0.1 O=C(NCC)CN AK-65785 [1,0,1,0,0,0|2,0,0]=4 104 B6R0.1 O=C(OC)CCBr AK-91613 [1,0,1,0,0,0|2,0,0]=4 105 B6R0.1 O=C(OC)CCN AK-46776 [1,0,1,0,0,0|2,0,0]=4 106 B6R0.1 O=C(OC)CCO AK-83355 [1,0,1,0,0,0|2,0,0]=4 107 B6R0.1 O=C(OC)CNC AK-58375 [1,0,1,0,0,0|2,0,0]=4 108 B6R0.1 O=C(OC)OCC AK397345 [1,0,1,0,0,0|1,0,0]=3 109 B6R0.1 O=C(OCC)CO AK-98662 [1,0,1,0,0,0|1,0,0]=3 110 B6R0.2 CC(NC(C)C)=O AK-86542 [1,0,1,0,0,0|1,0,0]=3 111 B6R0.4 CC(CCCCl)=O AK-48368 [1,0,1,0,0,0|2,0,0]=4 112 B6R0.4 CC(OCCBr)=O AK165045 [1,0,1,0,0,0|1,0,0]=3 113 B6R0.4 CCCCB(O)O AK-44016 [1,0,1,0,0,0|1,0,1]=4 114 B6R0.4 CCCCC([O-])=O AK163205 [1,0,1,0,0,0|0,0,1]=3 115 B6R0.4 NC(OCCC)=O AK116320 [1,0,1,0,0,0|1,0,0]=3 116 B6R0.4 O=C(O)CCC#N AK-47909 [1,0,1,0,0,0|1,0,1]=4 117 B6R0.4 O=C(O)CCCCl AK113749 [1,0,1,0,0,0|1,0,0]=3 118 B6R0.4 O=C(O)CCCN AK-43987 [1,0,1,0,0,0|1,0,0]=3 119 B6R0.4 O=C(O)CCNC AK155866 [1,0,1,0,0,0|1,0,0]=3 120 B6R0.4 O=C(O)CCOC AK-88477 [1,0,1,0,0,0|1,0,0]=3 121 B6R0.4 OC(=O)CCC#C AK-32594 [1,0,1,0,0,0|0,0,2]=4 122 B6R0.6 C(CCO)CCBr AK-72934 [1,0,1,0,0,0|1,0,1]=4 123 B6R0.6 C=CCCCCBr AK-48086 [1,0,1,0,0,0|2,0,0]=4 124 B6R0.6 CCCNCCO AK-60790 [1,0,1,0,0,0|1,0,1]=4 125 B6R0.6 ClCCCCC=O AK110863 [1,0,1,0,0,0|1,0,0]=3 126 B6R0.6 O=CCCCCO AK-40206 [1,0,1,0,0,0|1,0,0]=3 127 B6R0.6 OCCCCNC AK112657 [1,0,1,0,0,0|1,0,1]=4 128 B6R0.9 COC(OC)C=O AK-65152 [1,0,1,0,0,0|2,0,0]=4 129 B6R1.2 CC1CNCC1 AK-46149 [2,0,0,0,0,0|2,0,0]=4 130 B6R1.2 C[C@@H]1CCCN1 AK-28779 [2,0,0,0,0,0|1,0,1]=4 131 B6R1.2 C[C@@H]1CNCC1 AK-45142 [2,0,0,0,0,0|2,0,0]=4 132 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [2,0,0,0,0,0|1,0,1]=4 133 B6R1.2 NC1=NCCC1 AK-81762 [2,0,0,0,0,0|2,0,0]=4 134 B6R1.2 O=C1CCNC1 AK-46584 [2,0,0,0,0,0|2,0,0]=4 135 B6R1.2 O=C1CCOC1 AK-27035 [2,0,0,0,0,0|2,0,0]=4 136 B6R1.2 O=C1CSCC1 AK-40135 [2,0,0,0,0,0|2,0,0]=4 137 B6R1.2 O=C1NNCC1 AK-46169 [2,0,0,0,0,0|2,0,0]=4 138 B6R1.2 O=C1NOCC1 AK122832 [2,0,0,0,0,0|2,0,0]=4 139 B6R1.2 O=C1OCC=C1 AK163254 [2,0,0,0,0,0|0,0,2]=4 140 B6R1.2 O=C1OCCN1 AK-94050 [2,0,0,0,0,0|1,0,0]=3 141 B6R1.2 O=C1OCCO1 AK101077 [2,0,0,0,0,0|1,0,0]=3 142 B6R1.2 O=C1SCCN1 AK-89361 [2,0,0,0,0,0|1,1,0]=4 143 B8R0.2 CC[C@H](C)[C@@H](N)C(O)=O AK-72869 [0,1,1,0,0,0|2,0,0]=4 144 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O AK-41239 [0,1,1,0,0,0|2,0,0]=4 145 B8R0.2 N[C@@H]([C@@H](C)CC)C(O)=O AK-50075 [0,1,1,0,0,0|2,0,0]=4 146 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [0,1,1,0,0,0|2,0,0]=4 147 B8R0.1 CCOC(=O)CCCI AK102411 [0,1,1,0,0,0|2,0,0]=4 148 B8R0.1 CCOC(=O)CCCN AK-47111 [0,1,1,0,0,0|2,0,0]=4 149 B8R0.1 O=C(OCC)CCCBr AK-41609 [0,1,1,0,0,0|2,0,0]=4 150 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [0,1,1,0,0,0|2,0,0]=4 151 B8R0.3 O=CC[C@@H]([C@@H](CO)O)O AK-25106 [0,1,1,0,0,0|1,0,0]=3 152 B8R0.6 C(Cl)C(=O)NCCCC AK-59895 [0,1,1,0,0,0|2,0,0]=4 153 B8R0.6 O=C(OC)CCCCBr AK-88540 [0,1,1,0,0,0|2,0,0]=4 154 B8R0.6 O=C(OC)CCCCN AK112995 [0,1,1,0,0,0|2,0,0]=4 155 B8R0.6 O=C(OC)CCCOC AK151485 [0,1,1,0,0,0|2,0,0]=4 156 B8R0.6 O=C(OC)COCCCl AK-44958 [0,1,1,0,0,0|2,0,0]=4 157 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [0,1,1,0,0,0|1,0,0]=3 158 B8R0.9 C=CC(OCC(O)C)=O AK110453 [0,1,1,0,0,0|0,0,2]=4 159 B8R0.7 C#CCCCCC(O)=O AK-40047 [0,1,1,0,0,0|0,0,1]=3 160 B8R0.7 CC(O)CCCCCC AK113715 [0,1,1,0,0,0|1,0,1]=4 161 B8R0.7 C[C@@H](O)CCCCCC AK115983 [0,1,1,0,0,0|1,0,1]=4 162 B8R0.7 O=C(O)CCCCCBr AK-35122 [0,1,1,0,0,0|0,0,0]=2 163 B8R0.7 O=C(O)CCCCCN AK144762 [0,1,1,0,0,0|0,0,0]=2 164 B8R0.7 O=C(O)CCCCCO AK-41893 [0,1,1,0,0,0|0,0,0]=2 165 B8R0.7 O=C(O)COCCOC AK-33517 [0,1,1,0,0,0|1,0,0]=3 166 B8R0.7 O=C([O-])CCCCCO AK142914 [0,1,1,0,0,0|0,0,1]=3 167 B8R0.7 O=C([O-])CCNCCN AK545212 [0,1,1,0,0,0|1,0,1]=4 168 B8R0.7 OC(=O)CCCCCCl AK-48239 [0,1,1,0,0,0|0,0,0]=2 169 B8R0.21 CCCCCS([O-])(=O)=O AK-86036 [0,1,1,0,0,0|1,0,1]=4 170 B8R0.21 OP(CCCCN)(O)=O AK-46310 [0,1,1,0,0,0|2,0,0]=4 171 B8R0.28 O=C(O)CCCC(O)=O AK114297 [0,1,1,0,0,0|1,0,1]=4 172 B8R0.28 O=C(O)CCCN(C)C AK-50053 [0,1,1,0,0,0|1,0,0]=3 173 B8R1.7 C[C@@H](N)C1CCCC1 AK332865 [1,1,0,0,0,0|1,0,1]=4 174 B8R1.8 C(C1OCCO1)CBr AK-46571 [1,1,0,0,0,0|1,0,1]=4 175 B8R1.8 COC[C@H]1NCCC1 AK-81364 [1,1,0,0,0,0|1,0,1]=4 176 B8R1.8 N#CCC1CCCO1 AK-77313 [1,1,0,0,0,0|0,0,2]=4 177 B8R1.8 NCCC1CCCC1 AK-84118 [1,1,0,0,0,0|1,0,1]=4 178 B8R1.8 OCC[C@H]1CNCC1 AK192539 [1,1,0,0,0,0|2,0,0]=4 179 B8R1.11 O=C1C(CC)CCC1 AK112291 [1,1,0,0,0,0|1,0,1]=4 180 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [1,1,0,0,0,0|1,0,1]=4 181 B8R1.50 CC=1CCC(C1O)=O AK103328 [1,1,0,0,0,0|1,0,1]=4 182 B8R1.51 CC1(C)CCC(=O)N1 AK-90081 [1,1,0,0,0,0|1,0,0]=3 183 B8R1.51 O=C1NCC(C)(C)C1 AK118621 [1,1,0,0,0,0|2,0,0]=4 184 B8R1.51 O=C1OC(C)(C)CC1 AK-44637 [1,1,0,0,0,0|0,0,0]=2 185 B10R1.1 O=C1CCC(CCC)CC1 AK-41694 [0,1,0,0,0,1|1,0,0]=3 186 B10R1.13 CN(C)C1CCC(=O)CC1 AK-44354 [0,1,0,0,0,1|2,0,0]=4 187 B10R1.25 C(C)C1CNC(CC1=O)=O AK-24496 [0,1,0,0,0,1|1,0,1]=4 188 B10R1.473 O=C1CC[N+](C)(CC)CC1 AK126848 [0,1,0,0,0,1|2,0,0]=4 189 B10R1.2 O=C1N(CC)CCNC1=O AK114555 [0,1,0,0,0,1|2,0,0]=4 190 B10R1.10 O=C1CC(CCC)NCC1 AK129486 [0,1,0,0,0,1|1,0,0]=3 191 B10R1.14 COC(C1NC(=O)CC1)=O AK-46671 [0,2,0,0,0,0|1,0,1]=4 192 B10R1.14 O=C(C1CC(CC1)=O)OC AK-39983 [0,2,0,0,0,0|1,0,1]=4 193 B10R1.14 O=C([C@H]1CCC(N1)=O)OC AK-41780 [0,2,0,0,0,0|1,0,1]=4 194 B10R1.14 O=C1N[C@H](C(OC)=O)CC1 AK-27009 [0,2,0,0,0,0|1,0,1]=4 195 B10R1.130 O=C1OC(OCC)C(Br)=C1 AK-51536 [0,2,0,0,0,0|0,0,2]=4 196 B10R1.34 O=C1OC(CC)C(C)=C1O AK115095 [0,2,0,0,0,0|0,0,2]=4 197 B10R1.34 O[C@H]1[C@H]([C@@H](CO)OC1=O)O AK307810 [0,2,0,0,0,0|1,0,0]=3 198 B10R1.36 O=C1N[C@H](CO)CC1(F)F AK133320 [0,2,0,0,0,0|2,0,0]=4 199 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,0,1,1,0,0|2,0,0]=4 200 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,0,1,1,0,0|2,0,0]=4 201 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,0,1,1,0,0|2,0,0]=4 202 B8R1.34 CC(OC1CNC1)=O AK-71497 [0,0,1,1,0,0|1,0,0]=3 203 B8R1.34 CC(OC1CNC1)=O AK208566 [0,0,1,1,0,0|1,0,0]=3 204 B8R1.34 O=C(O)CC1CCC1 AK-76669 [0,0,1,1,0,0|2,0,0]=4 205 B8R1.3 C1C(CCC(C1)O)N AK-39542 [0,0,1,1,0,0|1,0,1]=4 206 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,0,1,1,0,0|2,0,0]=4 207 B8R1.3 N[C@H]1CC[C@@H](CC1)O AK-26050 [0,0,1,1,0,0|1,0,1]=4 208 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [0,0,1,1,0,0|0,0,2]=4 209 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,0,1,1,0,0|1,0,0]=3 210 B8R1.3 O=C1NCC(N)CC1 AK132996 [0,0,1,1,0,0|2,0,0]=4 211 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,0,1,1,0,0|1,0,0]=3 212 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [0,0,1,1,0,0|2,0,0]=4 213 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,0,1,1,0,0|1,0,0]=3 214 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,0,1,1,0,0|0,0,0]=2 215 B8R1.3 OC1CCC(O)CC1 AK114734 [0,0,1,1,0,0|0,0,2]=4 216 B8R1.3 OC1CCN(C)CC1 AK-32773 [0,0,1,1,0,0|2,0,0]=4 217 B8R1.3 OC1CCN(N)CC1 AK116503 [0,0,1,1,0,0|2,0,0]=4 218 B8R1.3 O[C@H]1CC[C@@H](N)CC1 AK-48343 [0,0,1,1,0,0|1,0,1]=4 219 B8R1.3 O[C@H]1CC[C@H](N)CC1 AK-39826 [0,0,1,1,0,0|1,0,1]=4 220 B8R1.3 O[C@H]1CC[C@H](O)CC1 AK115903 [0,0,1,1,0,0|0,0,2]=4 221 B8R1.5 CC1CNCCC1O AK-34735 [0,0,1,1,0,0|2,0,0]=4 222 B8R1.5 CC1CNCCC1O AK-77366 [0,0,1,1,0,0|2,0,0]=4 223 B8R1.5 FC1CCCCC1=O AK-79364 [0,0,1,1,0,0|2,0,0]=4 224 B8R1.5 NC1CCCCC1=O AK110393 [0,0,1,1,0,0|2,0,0]=4 225 B8R1.5 NC1CCCNC1=O AK-32522 [0,0,1,1,0,0|2,0,0]=4 226 B8R1.5 O=C1C(C)CNCC1 AK-35717 [0,0,1,1,0,0|2,0,0]=4 227 B8R1.5 O=C1C(C)CNCC1 AK-44679 [0,0,1,1,0,0|2,0,0]=4 228 B8R1.5 O=C1NCCCC1N AK-58866 [0,0,1,1,0,0|2,0,0]=4 229 B8R1.5 O=C1NCCCC1O AK-25552 [0,0,1,1,0,0|2,0,0]=4 230 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [0,0,1,1,0,0|2,0,0]=4 231 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [0,0,1,1,0,0|2,0,0]=4 232 B8R1.22 C=C1OCCCCO1 AK154780 [0,0,1,1,0,0|2,0,0]=4 233 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,0,1,1,0,0|2,0,0]=4 234 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,0,1,1,0,0|1,0,1]=4 235 B8R1.22 O=C1CNCCCN1 AK-94980 [0,0,1,1,0,0|2,0,0]=4 236 B8R1.22 O=C1NCCNCC1 AK-25582 [0,0,1,1,0,0|2,0,0]=4 237 B8R1.22 O=C1NCCOCC1 AK158455 [0,0,1,1,0,0|2,0,0]=4 238 B8R1.22 O=C1OCCCCC1 AK164169 [0,0,1,1,0,0|0,0,0]=2 239 B8R1.72 OC1(C)CCCCC1 AK161821 [0,0,1,1,0,0|1,0,1]=4 240 B8R2.34 C12CC(CO1)NC2 AK-64970 [1,0,0,1,0,0|1,0,1]=4 241 B8R2.34 C12NC(CC1)CC2 AK-34482 [1,0,0,1,0,0|1,0,1]=4 242 B8R2.34 [C@H]12CN[C@H](CO1)C2 AK-34642 [1,0,0,1,0,0|1,0,1]=4 243 B10R2.178 O=C1C2CC(CC2)CN1 AK311924 [0,0,0,1,0,1|1,0,0]=3 244 B10R2.71 O=C1CC2CC(CC2)C1 AK165360 [0,0,0,1,0,1|1,0,0]=3 245 B10R2.71 O=C1CC2NC(CC2)C1 AK-44611 [0,0,0,1,0,1|1,0,0]=3 246 B10R2.534 O=C1CCCC2(N1)CC2 AK205259 [0,0,0,1,0,1|1,0,0]=3 247 B10R2.14 O=C1NCC(C2CC2)C1 AK-77637 [0,1,0,1,0,0|2,0,0]=4 248 B10R2.332 O=C1CC2(CN1)CNC2 AK143250 [0,1,0,1,0,0|2,0,0]=4 249 B10R2.332 O=C1CC2(COC2)CN1 AK103688 [0,1,0,1,0,0|2,0,0]=4 250 B6R0.3 C(C(N)C(O)=O)C AK-46591 [0,0,1,0,1,0|2,0,0]=4 251 B6R0.3 CC(N(CC)C)=O AK149250 [0,0,1,0,1,0|1,0,0]=3 252 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [0,0,1,0,1,0|1,0,0]=3 253 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [0,0,1,0,1,0|2,0,0]=4 254 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [0,0,1,0,1,0|2,0,0]=4 255 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [0,0,1,0,1,0|2,0,0]=4 256 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [0,0,1,0,1,0|2,0,0]=4 257 B6R0.3 COC(C)C(O)=O AK-49797 [0,0,1,0,1,0|2,0,0]=4 258 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [0,0,1,0,1,0|2,0,0]=4 259 B6R0.3 C[C@H](NC)C(O)=O AK134597 [0,0,1,0,1,0|2,0,0]=4 260 B6R0.3 C[C@H](OC)C(O)=O AK167072 [0,0,1,0,1,0|2,0,0]=4 261 B6R0.3 O=C(O)C(C)CBr AK116257 [0,0,1,0,1,0|2,0,0]=4 262 B6R1.6 CNC1CCC1 AK157567 [1,0,0,0,1,0|1,0,1]=4 263 B6R1.6 NCC1CCC1 AK-40089 [1,0,0,0,1,0|1,0,1]=4 264 B6R1.6 OCC1CCO1 AK-64713 [1,0,0,0,1,0|1,0,0]=3 265 B6R1.6 OC[C@H]1NCC1 AK-59466 [1,0,0,0,1,0|2,0,0]=4 266 B6R1.5 NC1CC(=O)C1 AK-41683 [1,0,0,0,1,0|2,0,0]=4