0 B6R1.2 C1C(COC1)O AK-46125 [0,0,0,0,0,0|1,0,2]=3 1 B6R1.2 CC1CNCC1 AK-46149 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 C[C@@H]1CCCN1 AK-28779 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 C[C@@H]1CNCC1 AK-45142 [0,0,0,0,0,0|2,0,1]=3 4 B6R1.2 FC1CNCC1 AK-38962 [0,0,0,0,0,0|2,0,1]=3 5 B6R1.2 F[C@@H]1CCNC1 AK-30244 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 F[C@H]1CCNC1 AK-32303 [0,0,0,0,0,0|2,0,1]=3 7 B6R1.2 IC1COCC1 AK162325 [0,0,0,0,0,0|2,0,1]=3 8 B6R1.2 I[C@H]1COCC1 AK170642 [0,0,0,0,0,0|2,0,1]=3 9 B6R1.2 N1CCC(O)C1 AK-27184 [0,0,0,0,0,0|1,0,2]=3 10 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [0,0,0,0,0,0|2,0,1]=3 11 B6R1.2 NC1=NCCC1 AK-81762 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.2 NC1CC=CC1 AK-44792 [0,0,0,0,0,0|1,0,3]=4 13 B6R1.2 NC1CNCC1 AK-24781 [0,0,0,0,0,0|2,0,1]=3 14 B6R1.2 NC1COCC1 AK-25569 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.2 N[C@@H]1CNCC1 AK-46300 [0,0,0,0,0,0|2,0,1]=3 16 B6R1.2 N[C@@H]1COCC1 AK-32266 [0,0,0,0,0,0|2,0,1]=3 17 B6R1.2 N[C@H]1CNCC1 AK-47751 [0,0,0,0,0,0|2,0,1]=3 18 B6R1.2 N[C@H]1CNCC1 AK-80471 [0,0,0,0,0,0|2,0,1]=3 19 B6R1.2 O1CC[C@H](C1)N AK-32944 [0,0,0,0,0,0|2,0,1]=3 20 B6R1.2 O=C1CC=NN1 AK-90809 [0,0,0,0,0,0|2,0,1]=3 21 B6R1.2 O=C1CCNC1 AK-46584 [0,0,0,0,0,0|1,0,0]=1 22 B6R1.2 O=C1CCOC1 AK-27035 [0,0,0,0,0,0|1,0,0]=1 23 B6R1.2 O=C1CSCC1 AK-40135 [0,0,0,0,0,0|1,0,0]=1 24 B6R1.2 O=C1NC=CN1 AK-45238 [0,0,0,0,0,0|2,0,2]=4 25 B6R1.2 O=C1NNC=C1 AK-58738 [0,0,0,0,0,0|2,0,2]=4 26 B6R1.2 O=C1NNCC1 AK-46169 [0,0,0,0,0,0|2,0,0]=2 27 B6R1.2 O=C1NOCC1 AK122832 [0,0,0,0,0,0|2,0,0]=2 28 B6R1.2 O=C1NSC=C1 AK101140 [0,0,0,0,0,0|2,0,2]=4 29 B6R1.2 O=C1OCC=C1 AK163254 [0,0,0,0,0,0|1,0,2]=3 30 B6R1.2 O=C1OCCN1 AK-94050 [0,0,0,0,0,0|2,0,0]=2 31 B6R1.2 O=C1OCCO1 AK101077 [0,0,0,0,0,0|2,0,0]=2 32 B6R1.2 O=C1SCCN1 AK-89361 [0,0,0,0,0,0|2,0,0]=2 33 B6R1.2 OC1CNCC1 AK-53403 [0,0,0,0,0,0|1,0,2]=3 34 B6R1.2 OC1CNCC1 AK134933 [0,0,0,0,0,0|1,0,2]=3 35 B6R1.2 O[C@@H]1CCNC1 AK-32737 [0,0,0,0,0,0|1,0,2]=3 36 B6R1.2 O[C@@H]1CCOC1 AK-36591 [0,0,0,0,0,0|1,0,2]=3 37 B6R1.2 O[C@@H]1CNCC1 AK-32613 [0,0,0,0,0,0|1,0,2]=3 38 B6R1.2 O[C@@H]1CNCC1 AK-33013 [0,0,0,0,0,0|1,0,2]=3 39 B6R1.2 O[C@H]1CCOC1 AK-36590 [0,0,0,0,0,0|1,0,2]=3 40 B6R1.2 O[C@H]1CNCC1 AK-25701 [0,0,0,0,0,0|1,0,2]=3 41 B5R1.1 N1CC=CC1 AK-35945 [1,0,0,0,0,0|1,0,1]=3 42 B5R1.1 S1CNCC1 AK340267 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.1 BrCC1CCCC1 AK-88361 [0,1,0,0,0,0|1,0,1]=3 44 B7R1.1 BrCC1CCOC1 AK-51697 [0,1,0,0,0,0|2,0,1]=4 45 B7R1.1 C(C1CCCC1)O AK-46653 [0,1,0,0,0,0|0,0,2]=3 46 B7R1.1 CC[C@H]1NCCC1 AK131266 [0,1,0,0,0,0|2,0,1]=4 47 B7R1.1 CNC1COCC1 AK-48592 [0,1,0,0,0,0|2,0,1]=4 48 B7R1.1 COC1=NCCC1 AK-49858 [0,1,0,0,0,0|1,0,1]=3 49 B7R1.1 COC1CNCC1 AK-33180 [0,1,0,0,0,0|1,0,2]=4 50 B7R1.1 CO[C@@H]1CNCC1 AK-36107 [0,1,0,0,0,0|1,0,2]=4 51 B7R1.1 CO[C@H]1CNCC1 AK-35279 [0,1,0,0,0,0|1,0,2]=4 52 B7R1.1 CSC1=NCCS1 AK-33966 [0,1,0,0,0,0|2,1,0]=4 53 B7R1.1 ClCC1=NCCN1 AK-48901 [0,1,0,0,0,0|3,0,0]=4 54 B7R1.1 N#CC1CCNC1 AK-85980 [0,1,0,0,0,0|2,0,1]=4 55 B7R1.1 N#C[C@@H]1CNCC1 AK171889 [0,1,0,0,0,0|2,0,1]=4 56 B7R1.1 NCC1CCCC1 AK-27938 [0,1,0,0,0,0|1,0,1]=3 57 B7R1.1 NCC1CCOC1 AK-33831 [0,1,0,0,0,0|2,0,1]=4 58 B7R1.1 NCC1COCC1 AK-50648 [0,1,0,0,0,0|2,0,1]=4 59 B7R1.1 NCC1NCCC1 AK-26146 [0,1,0,0,0,0|2,0,1]=4 60 B7R1.1 NC[C@@H]1NCCC1 AK110323 [0,1,0,0,0,0|2,0,1]=4 61 B7R1.1 NC[C@H]1NCCC1 AK-48661 [0,1,0,0,0,0|2,0,1]=4 62 B7R1.1 NNC1CCCC1 AK-44319 [0,1,0,0,0,0|1,0,1]=3 63 B7R1.1 OCC1CCCN1 AK-40306 [0,1,0,0,0,0|1,0,2]=4 64 B7R1.1 OCC1CNCC1 AK-26048 [0,1,0,0,0,0|1,0,2]=4 65 B7R1.1 OCC1CNCC1 AK-38963 [0,1,0,0,0,0|1,0,2]=4 66 B7R1.1 OCC1CNCC1 AK105115 [0,1,0,0,0,0|1,0,2]=4 67 B7R1.1 OCC1COCC1 AK-51698 [0,1,0,0,0,0|1,0,2]=4 68 B7R1.1 OCC1OCCC1 AK106959 [0,1,0,0,0,0|1,0,2]=4 69 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [0,1,0,0,0,0|1,0,2]=4 70 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [0,1,0,0,0,0|1,0,2]=4 71 B7R1.1 OC[C@H]1CNCC1 AK-32836 [0,1,0,0,0,0|1,0,2]=4 72 B7R1.1 OC[C@H]1CNCC1 AK108367 [0,1,0,0,0,0|1,0,2]=4 73 B7R1.1 OC[C@H]1COCC1 AK129134 [0,1,0,0,0,0|1,0,2]=4 74 B7R1.1 OC[C@H]1NCCC1 AK-46693 [0,1,0,0,0,0|1,0,2]=4 75 B7R1.2 CN1CCC(Br)C1 AK-43626 [0,1,0,0,0,0|2,0,0]=3 76 B7R1.2 CN1C[C@H](O)CC1 AK-44894 [0,1,0,0,0,0|2,0,0]=3 77 B7R1.2 FC1COC(=O)O1 AK111108 [0,1,0,0,0,0|2,0,0]=3 78 B7R1.2 N1=C(SCC1=O)N AK-65159 [0,1,0,0,0,0|2,0,1]=4 79 B7R1.2 N[C@@H]1CC[C@H](O)C1 AK105087 [0,1,0,0,0,0|0,0,2]=3 80 B7R1.2 N[C@@H]1CN(C)CC1 AK149723 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [0,1,0,0,0,0|1,0,0]=2 82 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [0,1,0,0,0,0|1,0,0]=2 83 B7R1.2 N[C@H]1C[C@H](N)CC1 AK146331 [0,1,0,0,0,0|1,0,1]=3 84 B7R1.2 N[C@H]1C[C@H](O)CC1 AK-65339 [0,1,0,0,0,0|0,0,2]=3 85 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,1,0,0,0,0|2,0,1]=4 86 B7R1.2 O=C1CC(N)=NN1 AK-26757 [0,1,0,0,0,0|2,0,1]=4 87 B7R1.2 O=C1CCC(O1)=O AK139125 [0,1,0,0,0,0|1,0,1]=3 88 B7R1.2 O=C1COC(C)=C1 AK142223 [0,1,0,0,0,0|1,0,2]=4 89 B7R1.2 O=C1N=C(N)OC1 AK-80637 [0,1,0,0,0,0|2,0,1]=4 90 B7R1.2 O=C1N=C(N)SC1 AK-65160 [0,1,0,0,0,0|2,0,1]=4 91 B7R1.2 O=C1NC(CC1)=O AK550047 [0,1,0,0,0,0|1,0,1]=3 92 B7R1.2 O=C1NC(CN1)=O AK307300 [0,1,0,0,0,0|2,0,1]=4 93 B7R1.2 O=C1NC(CO1)=O AK-80133 [0,1,0,0,0,0|2,0,1]=4 94 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,1,0,0,0,0|1,0,0]=2 95 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [0,1,0,0,0,0|1,0,0]=2 96 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,1,0,0,0,0|1,0,0]=2 97 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,1,0,0,0,0|1,0,2]=4 98 B7R1.2 O=C1OC(C)CC1 AK117314 [0,1,0,0,0,0|1,0,0]=2 99 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,1,0,0,0,0|2,0,0]=3 100 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,1,0,0,0,0|2,0,0]=3 101 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,1,0,0,0,0|2,0,0]=3 102 B7R1.2 O=C1SCC(N1)=O AK-46286 [0,1,0,0,0,0|2,0,1]=4 103 B7R1.2 OC1CC(N)CC1 AK-64395 [0,1,0,0,0,0|0,0,2]=3 104 B7R1.2 OC1CN(C)CC1 AK-29830 [0,1,0,0,0,0|2,0,0]=3 105 B7R1.2 O[C@@H]1CN(C)CC1 AK-44893 [0,1,0,0,0,0|2,0,0]=3 106 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,1,0,0,0,0|1,0,0]=2 107 B7R1.2 O[C@@H]1C[C@@H](N)CC1 AK122534 [0,1,0,0,0,0|0,0,2]=3 108 B7R1.4 CC1CSCC1=O AK104742 [0,1,0,0,0,0|1,0,0]=2 109 B7R1.4 NC1CONC1=O AK-87856 [0,1,0,0,0,0|2,0,0]=3 110 B7R1.4 NN1CCCC1=O AK-78653 [0,1,0,0,0,0|1,0,0]=2 111 B7R1.4 N[C@@H]1CCC[C@H]1O AK-27349 [0,1,0,0,0,0|0,0,2]=3 112 B7R1.4 N[C@@H]1CCC[C@H]1O AK-36104 [0,1,0,0,0,0|0,0,2]=3 113 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [0,1,0,0,0,0|1,0,0]=2 114 B7R1.4 N[C@H]1CCC[C@@H]1O AK-24345 [0,1,0,0,0,0|0,0,2]=3 115 B7R1.4 N[C@H]1CCC[C@H]1O AK-33189 [0,1,0,0,0,0|0,0,2]=3 116 B7R1.4 N[C@H]1CCOC1=O AK-41531 [0,1,0,0,0,0|1,0,0]=2 117 B7R1.4 N[C@H]1COC[C@H]1N AK-86692 [0,1,0,0,0,0|2,0,1]=4 118 B7R1.4 N[C@H]1[C@H](N)CCC1 AK549107 [0,1,0,0,0,0|1,0,1]=3 119 B7R1.4 O=C1C(CCO1)Br AK-35370 [0,1,0,0,0,0|1,0,0]=2 120 B7R1.4 O=C1C(N)CCS1 AK117085 [0,1,0,0,0,0|1,0,0]=2 121 B7R1.4 O=C1C(O)=CCC1 AK-43709 [0,1,0,0,0,0|0,0,2]=3 122 B7R1.4 O=C1CC=NN1C AK128438 [0,1,0,0,0,0|2,0,1]=4 123 B7R1.4 O=C1NCCN1C AK-78526 [0,1,0,0,0,0|2,0,0]=3 124 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [0,1,0,0,0,0|1,0,0]=2 125 B7R1.4 O=C1NCC[C@H]1N AK-43088 [0,1,0,0,0,0|1,0,0]=2 126 B7R1.4 O=C1NCC[C@H]1O AK-39107 [0,1,0,0,0,0|1,0,0]=2 127 B7R1.4 O=C1NOC[C@H]1N AK-26256 [0,1,0,0,0,0|2,0,0]=3 128 B7R1.4 O=C1OCCC1N AK543042 [0,1,0,0,0,0|1,0,0]=2 129 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [0,1,0,0,0,0|1,0,0]=2 130 B7R1.4 OC1C(N)CCC1 AK-50447 [0,1,0,0,0,0|0,0,2]=3 131 B7R1.4 OC1CCNC1=O AK-39164 [0,1,0,0,0,0|1,0,0]=2 132 B7R1.4 O[C@@H]1[C@H](N)CCC1 AK-34210 [0,1,0,0,0,0|0,0,2]=3 133 B7R1.4 O[C@H]1CNC[C@@H]1O AK-50228 [0,1,0,0,0,0|1,0,2]=4 134 B7R1.4 O[C@H]1CNC[C@H]1O AK142193 [0,1,0,0,0,0|1,0,2]=4 135 B7R1.4 O[C@H]1COC[C@@H]1N AK129339 [0,1,0,0,0,0|1,0,2]=4 136 B7R1.4 O[C@H]1[C@H](N)CCC1 AK327767 [0,1,0,0,0,0|0,0,2]=3 137 B7R1.4 S=C1N(C)CCC1 AK308101 [0,1,0,0,0,0|1,1,0]=3 138 B7R1.14 CC1(C)NCCC1 AK-76555 [0,1,0,0,0,0|2,0,1]=4 139 B7R1.14 CC1(O)CCNC1 AK-41154 [0,1,0,0,0,0|1,0,2]=4 140 B7R1.14 CC1(O)CCNC1 AK100495 [0,1,0,0,0,0|1,0,2]=4 141 B7R1.14 FC1(F)CNCC1 AK-29913 [0,1,0,0,0,0|2,0,1]=4 142 B7R1.14 O=S1(NCCN1)=O AK-79461 [0,1,0,0,0,0|3,0,0]=4 143 B7R1.14 O=S1(OCCC1)=O AK-54023 [0,1,0,0,0,0|2,0,0]=3 144 B7R1.14 O=S1(OCCO1)=O AK116907 [0,1,0,0,0,0|3,0,0]=4 145 B5R0.1 C#CCC(O)=O AK106962 [0,0,1,0,0,0|1,0,2]=4 146 B5R0.1 C(C#N)C(N)=O AK-73131 [0,0,1,0,0,0|2,0,1]=4 147 B5R0.1 C(C(=O)O)NC AK-47434 [0,0,1,0,0,0|2,0,0]=3 148 B5R0.1 CC#CC(O)=O AK-49957 [0,0,1,0,0,0|1,0,2]=4 149 B5R0.1 CC(N)CCO AK-81869 [0,0,1,0,0,0|2,0,1]=4 150 B5R0.1 CCCB(O)O AK-47948 [0,0,1,0,0,0|2,0,1]=4 151 B5R0.1 CN(CCBr)C AK-35597 [0,0,1,0,0,0|3,0,0]=4 152 B5R0.1 CNCC(N)=O AK-90265 [0,0,1,0,0,0|2,0,0]=3 153 B5R0.1 C[C@@H](N)CCC AK608015 [0,0,1,0,0,0|1,0,1]=3 154 B5R0.1 C[C@@H](N)CCO AK-41725 [0,0,1,0,0,0|2,0,1]=4 155 B5R0.1 C[C@@H](N)COC AK-72611 [0,0,1,0,0,0|2,0,1]=4 156 B5R0.1 C[C@@H](O)CCO AK-86774 [0,0,1,0,0,0|1,0,2]=4 157 B5R0.1 C[C@H](N)CCC AK171191 [0,0,1,0,0,0|1,0,1]=3 158 B5R0.1 C[C@H](N)CCO AK-41726 [0,0,1,0,0,0|2,0,1]=4 159 B5R0.1 N=C(N)COC AK-86295 [0,0,1,0,0,0|3,0,0]=4 160 B5R0.1 NCCC(N)=O AK-26218 [0,0,1,0,0,0|2,0,0]=3 161 B5R0.1 NCCC(O)=O AK-41261 [0,0,1,0,0,0|2,0,0]=3 162 B5R0.1 NOCC(C)=C AK550273 [0,0,1,0,0,0|3,0,0]=4 163 B5R0.1 O=C(N)CSC AK-34209 [0,0,1,0,0,0|2,0,0]=3 164 B5R0.1 O=P(CCN)O AK477259 [0,0,1,0,0,0|3,0,0]=4 165 B5R0.1 [O+](=C(N)N)CC AK-50388 [0,0,1,0,0,0|3,0,0]=4 166 B5R0.2 BrCCCC#N AK110352 [0,0,1,0,0,0|2,0,1]=4 167 B5R0.2 C(CCN)CN AK-46742 [0,0,1,0,0,0|2,0,1]=4 168 B5R0.2 C=CCCCO AK325629 [0,0,1,0,0,0|2,0,0]=3 169 B5R0.2 ClCCCCBr AK105174 [0,0,1,0,0,0|2,0,1]=4 170 B5R0.2 ICCCCCl AK116716 [0,0,1,0,0,0|2,0,1]=4 171 B5R0.2 ICCCCI AK112667 [0,0,1,0,0,0|2,0,1]=4 172 B5R0.2 N#CCCNC AK116969 [0,0,1,0,0,0|2,0,1]=4 173 B5R0.2 N#CCCOC AK-46138 [0,0,1,0,0,0|2,0,1]=4 174 B5R0.2 NCCCCBr AK-51681 [0,0,1,0,0,0|2,0,1]=4 175 B5R0.2 NOCCCC AK-85835 [0,0,1,0,0,0|2,0,0]=3 176 B5R0.2 OCCCCN AK-58038 [0,0,1,0,0,0|1,0,2]=4 177 B5R0.2 OCCCNC AK112615 [0,0,1,0,0,0|1,0,2]=4 178 B5R0.3 BrCC(=C)CBr AK101659 [0,0,1,0,0,0|3,0,0]=4 179 B5R0.3 C(C(CO)=C)O AK-73078 [0,0,1,0,0,0|3,0,0]=4 180 B5R0.3 C=CC(NC)=O AK115593 [0,0,1,0,0,0|1,0,2]=4 181 B5R0.3 CCC(CN)=O AK-38468 [0,0,1,0,0,0|1,0,0]=2 182 B5R0.3 CCC(CO)=O AK149491 [0,0,1,0,0,0|1,0,0]=2 183 B5R0.3 CCC(N)CO AK-57405 [0,0,1,0,0,0|2,0,1]=4 184 B5R0.3 CC[C@@H](O)CO AK110229 [0,0,1,0,0,0|1,0,2]=4 185 B5R0.3 CC[C@H](N)CO AK-86460 [0,0,1,0,0,0|2,0,1]=4 186 B5R0.3 CC[C@H](O)CO AK110230 [0,0,1,0,0,0|1,0,2]=4 187 B5R0.3 CNC(=O)CCl AK-82796 [0,0,1,0,0,0|2,0,0]=3 188 B5R0.3 NCC(OC)=O AK-43994 [0,0,1,0,0,0|2,0,0]=3 189 B5R0.3 NNC(=O)CO AK-89508 [0,0,1,0,0,0|3,0,0]=4 190 B5R0.3 NNC(OC)=O AK109362 [0,0,1,0,0,0|3,0,0]=4 191 B5R0.3 O=C(CO)CO AK-46682 [0,0,1,0,0,0|2,0,0]=3 192 B5R0.3 O=C(OC)CO AK-98661 [0,0,1,0,0,0|2,0,0]=3 193 B7R2.11 N12CN(CC1)C2 AK150789 [0,0,0,1,0,0|3,0,0]=4 194 B7R2.13 C12CNCC1C2 AK-38211 [0,0,0,1,0,0|2,0,1]=4 195 B7R2.13 C12COCC1O2 AK-68770 [0,0,0,1,0,0|1,0,2]=4 196 B5R1.2 FC1CNC1 AK-35869 [0,0,0,0,1,0|2,0,1]=4 197 B5R1.2 IC1COC1 AK115961 [0,0,0,0,1,0|2,0,1]=4 198 B5R1.2 NC1CNC1 AK-32674 [0,0,0,0,1,0|2,0,1]=4 199 B5R1.2 NC1COC1 AK-49035 [0,0,0,0,1,0|2,0,1]=4 200 B5R1.2 NC1COC1 AK122281 [0,0,0,0,1,0|2,0,1]=4 201 B5R1.2 O1CC(C1)=O AK-32211 [0,0,0,0,1,0|1,0,0]=2 202 B5R1.2 O=C1CNC1 AK-59488 [0,0,0,0,1,0|1,0,0]=2 203 B5R1.2 O=C1CSC1 AK-41121 [0,0,0,0,1,0|1,0,0]=2 204 B5R1.2 O=C1NCC1 AK-36897 [0,0,0,0,1,0|1,0,0]=2 205 B5R1.2 OC1CNC1 AK-25536 [0,0,0,0,1,0|1,0,2]=4 206 B5R1.2 OC1COC1 AK-32210 [0,0,0,0,1,0|1,0,2]=4 207 B7R1.3 BrC1CCCCC1 AK-77686 [0,0,0,0,0,1|1,0,1]=3 208 B7R1.3 BrC1CCNCC1 AK-47522 [0,0,0,0,0,1|1,0,1]=3 209 B7R1.3 BrC1CCOCC1 AK-29943 [0,0,0,0,0,1|1,0,1]=3 210 B7R1.3 C1C(=O)CCNC1 AK-46400 [0,0,0,0,0,1|0,0,0]=1 211 B7R1.3 C1C(CCOC1)N AK-25779 [0,0,0,0,0,1|1,0,1]=3 212 B7R1.3 C1CC(CCO1)O AK-25581 [0,0,0,0,0,1|0,0,2]=3 213 B7R1.3 CC1CNCCO1 AK100672 [0,0,0,0,0,1|2,0,1]=4 214 B7R1.3 CC1NCCOC1 AK-35119 [0,0,0,0,0,1|2,0,1]=4 215 B7R1.3 C[C@@H]1CNCCC1 AK141528 [0,0,0,0,0,1|1,0,1]=3 216 B7R1.3 C[C@@H]1CNCCO1 AK-59893 [0,0,0,0,0,1|2,0,1]=4 217 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [0,0,0,0,0,1|2,0,1]=4 218 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [0,0,0,0,0,1|2,0,1]=4 219 B7R1.3 C[C@H]1CNCCC1 AK-93998 [0,0,0,0,0,1|1,0,1]=3 220 B7R1.3 C[C@H]1CNCCO1 AK-42092 [0,0,0,0,0,1|2,0,1]=4 221 B7R1.3 C[C@H]1NCCNC1 AK-32235 [0,0,0,0,0,1|2,0,1]=4 222 B7R1.3 C[C@H]1NCCOC1 AK-39747 [0,0,0,0,0,1|2,0,1]=4 223 B7R1.3 C[C@H]1NCCOC1 AK-50489 [0,0,0,0,0,1|2,0,1]=4 224 B7R1.3 ClC1CCNCC1 AK-26089 [0,0,0,0,0,1|1,0,1]=3 225 B7R1.3 IC1CCOCC1 AK-29944 [0,0,0,0,0,1|1,0,1]=3 226 B7R1.3 N1[C@H](CNCC1)C AK-46798 [0,0,0,0,0,1|2,0,1]=4 227 B7R1.3 NC1=NCCCN1 AK128358 [0,0,0,0,0,1|2,0,0]=3 228 B7R1.3 NC1CCSCC1 AK-77885 [0,0,0,0,0,1|1,0,1]=3 229 B7R1.3 NC1CNCCC1 AK-33202 [0,0,0,0,0,1|1,0,1]=3 230 B7R1.3 NN1CCCCC1 AK109255 [0,0,0,0,0,1|2,0,0]=3 231 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [0,0,0,0,0,1|1,0,1]=3 232 B7R1.3 N[C@@H]1COCCC1 AK-77753 [0,0,0,0,0,1|1,0,1]=3 233 B7R1.3 N[C@H]1CCCNC1 AK-34730 [0,0,0,0,0,1|1,0,1]=3 234 B7R1.3 N[C@H]1CNCCC1 AK-33065 [0,0,0,0,0,1|1,0,1]=3 235 B7R1.3 N[C@H]1CNCCC1 AK-34731 [0,0,0,0,0,1|1,0,1]=3 236 B7R1.3 N[C@H]1COCCC1 AK-77571 [0,0,0,0,0,1|1,0,1]=3 237 B7R1.3 O1CCCC(C1)O AK-32117 [0,0,0,0,0,1|0,0,2]=3 238 B7R1.3 O=C1CCCCO1 AK101117 [0,0,0,0,0,1|0,0,0]=1 239 B7R1.3 O=C1CCCOC1 AK-32516 [0,0,0,0,0,1|0,0,0]=1 240 B7R1.3 O=C1CCOCC1 AK-25731 [0,0,0,0,0,1|0,0,0]=1 241 B7R1.3 O=C1CCSCC1 AK-25499 [0,0,0,0,0,1|0,0,0]=1 242 B7R1.3 O=C1CNCCC1 AK-38925 [0,0,0,0,0,1|0,0,0]=1 243 B7R1.3 O=C1CNCCC1 AK-64363 [0,0,0,0,0,1|0,0,0]=1 244 B7R1.3 O=C1COCC=C1 AK120133 [0,0,0,0,0,1|0,0,2]=3 245 B7R1.3 O=C1COCCN1 AK-37649 [0,0,0,0,0,1|1,0,0]=2 246 B7R1.3 O=C1CSCCC1 AK112945 [0,0,0,0,0,1|0,0,0]=1 247 B7R1.3 O=C1NCCC=C1 AK110027 [0,0,0,0,0,1|0,0,2]=3 248 B7R1.3 O=C1NCCCN1 AK-40132 [0,0,0,0,0,1|1,0,0]=2 249 B7R1.3 O=C1NCCNC1 AK-26132 [0,0,0,0,0,1|1,0,0]=2 250 B7R1.3 O=C1NCCSC1 AK-94004 [0,0,0,0,0,1|1,0,0]=2 251 B7R1.3 O=C1OCCOC1 AK117129 [0,0,0,0,0,1|1,0,0]=2 252 B7R1.3 O=S1OCCCO1 AK307879 [0,0,0,0,0,1|2,0,0]=3 253 B7R1.3 OC1CCNCC1 AK-46522 [0,0,0,0,0,1|0,0,2]=3 254 B7R1.3 OC1CCNCC1 AK-80456 [0,0,0,0,0,1|0,0,2]=3 255 B7R1.3 OC1COCOC1 AK-85976 [0,0,0,0,0,1|1,0,2]=4 256 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [0,0,0,0,0,1|0,0,2]=3 257 B7R1.3 O[C@H]1CCCNC1 AK-29273 [0,0,0,0,0,1|0,0,2]=3 258 B4R0.1 C(N)C(=O)C AK-42698 [1,0,1,0,0,0|1,0,0]=3 259 B4R0.1 CCC(N)=N AK-48186 [1,0,1,0,0,0|2,0,0]=4 260 B4R0.1 NC(=O)CI AK110349 [1,0,1,0,0,0|2,0,0]=4 261 B4R0.1 NCC(N)=O AK-41459 [1,0,1,0,0,0|2,0,0]=4 262 B4R0.1 O=C(N)CBr AK-50036 [1,0,1,0,0,0|2,0,0]=4 263 B4R0.1 O=C(O)CN AK-77854 [1,0,1,0,0,0|2,0,0]=4 264 B4R0.1 O=C([O-])CN AK114167 [1,0,1,0,0,0|2,0,0]=4 265 B4R0.2 BrCCNC AK153488 [1,0,1,0,0,0|2,0,0]=4 266 B4R0.2 C(Br)CCN AK-73071 [1,0,1,0,0,0|2,0,0]=4 267 B4R0.2 C=CCCN AK165308 [1,0,1,0,0,0|1,0,1]=4 268 B4R0.2 ClCCNC AK123132 [1,0,1,0,0,0|2,0,0]=4 269 B4R0.2 ICCCI AK126057 [1,0,1,0,0,0|2,0,0]=4 270 B4R0.2 NCCCCl AK164441 [1,0,1,0,0,0|2,0,0]=4 271 B4R0.2 NNCCC AK-76893 [1,0,1,0,0,0|2,0,0]=4 272 B4R0.2 OCCCBr AK-77055 [1,0,1,0,0,0|1,0,1]=4 273 B6R0.1 C#CCC(OC)=O AK-93397 [0,1,1,0,0,0|0,0,2]=4 274 B6R0.1 C(C(NC)=O)C#N AK-35938 [0,1,1,0,0,0|1,0,1]=4 275 B6R0.1 CCCC(NN)=O AK-95909 [0,1,1,0,0,0|1,0,0]=3 276 B6R0.1 CCC[C@H](N)CO AK-81386 [0,1,1,0,0,0|1,0,1]=4 277 B6R0.1 O=C(NCC)CN AK-65785 [0,1,1,0,0,0|1,0,0]=3 278 B6R0.1 O=C(NN)COC AK110451 [0,1,1,0,0,0|2,0,0]=4 279 B6R0.1 O=C(OC)CCBr AK-91613 [0,1,1,0,0,0|1,0,0]=3 280 B6R0.1 O=C(OC)CCN AK-46776 [0,1,1,0,0,0|1,0,0]=3 281 B6R0.1 O=C(OC)CCO AK-83355 [0,1,1,0,0,0|1,0,0]=3 282 B6R0.1 O=C(OC)CNC AK-58375 [0,1,1,0,0,0|1,0,0]=3 283 B6R0.1 O=C(OC)OCC AK397345 [0,1,1,0,0,0|1,0,0]=3 284 B6R0.1 O=C(OCC)CO AK-98662 [0,1,1,0,0,0|1,0,0]=3 285 B6R0.2 C(C(=O)O)N(C)C AK-41194 [0,1,1,0,0,0|2,0,0]=4 286 B6R0.2 CC(NC(C)C)=O AK-86542 [0,1,1,0,0,0|1,0,0]=3 287 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,1,1,0,0,0|0,0,2]=4 288 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [0,1,1,0,0,0|1,0,0]=3 289 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [0,1,1,0,0,0|1,0,0]=3 290 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [0,1,1,0,0,0|1,0,0]=3 291 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [0,1,1,0,0,0|1,0,0]=3 292 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [0,1,1,0,0,0|1,0,0]=3 293 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [0,1,1,0,0,0|1,0,0]=3 294 B6R0.2 NC(C)CC(C)C AK205814 [0,1,1,0,0,0|1,0,1]=4 295 B6R0.2 O=C([O-])C[S+](C)C AK543883 [0,1,1,0,0,0|2,0,0]=4 296 B6R0.3 C(=O)([C@H](N)CS)O AK-51501 [0,1,1,0,0,0|2,0,0]=4 297 B6R0.3 C(C(C(O)=O)N)O AK-46543 [0,1,1,0,0,0|2,0,0]=4 298 B6R0.3 C(C(N)C(O)=O)C AK-46591 [0,1,1,0,0,0|1,0,0]=3 299 B6R0.3 C(S)C(N)C(O)=O AK-73021 [0,1,1,0,0,0|2,0,0]=4 300 B6R0.3 CC(N(CC)C)=O AK149250 [0,1,1,0,0,0|1,0,0]=3 301 B6R0.3 CCC(=O)C(O)=O AK-48379 [0,1,1,0,0,0|1,0,1]=4 302 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [0,1,1,0,0,0|1,0,0]=3 303 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [0,1,1,0,0,0|1,0,0]=3 304 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [0,1,1,0,0,0|1,0,0]=3 305 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [0,1,1,0,0,0|1,0,0]=3 306 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [0,1,1,0,0,0|1,0,0]=3 307 B6R0.3 COC(C)C(O)=O AK-49797 [0,1,1,0,0,0|2,0,0]=4 308 B6R0.3 C[C@@H](NC)C(O)=O AK-81255 [0,1,1,0,0,0|2,0,0]=4 309 B6R0.3 C[C@H](NC)C(O)=O AK134597 [0,1,1,0,0,0|2,0,0]=4 310 B6R0.3 C[C@H](OC)C(O)=O AK167072 [0,1,1,0,0,0|2,0,0]=4 311 B6R0.3 NC(CO)C(O)=O AK-41368 [0,1,1,0,0,0|2,0,0]=4 312 B6R0.3 N[C@@H](CO)C(N)=O AK-81285 [0,1,1,0,0,0|2,0,0]=4 313 B6R0.3 N[C@@H](CS)C(O)=O AK-48312 [0,1,1,0,0,0|2,0,0]=4 314 B6R0.3 N[C@@H](CS)C(O)=O AK-49861 [0,1,1,0,0,0|2,0,0]=4 315 B6R0.3 N[C@H](CN)C(O)=O AK-31407 [0,1,1,0,0,0|2,0,0]=4 316 B6R0.3 O=C(O)C(C)CBr AK116257 [0,1,1,0,0,0|2,0,0]=4 317 B6R0.3 O=C(O)C(N)CN AK-44800 [0,1,1,0,0,0|2,0,0]=4 318 B6R0.3 O=C(O)C(O)CO AK114312 [0,1,1,0,0,0|2,0,0]=4 319 B6R0.3 O=C(O)[C@@H](N)CN AK-25439 [0,1,1,0,0,0|2,0,0]=4 320 B6R0.3 O=C(O)[C@@H](N)CO AK-73019 [0,1,1,0,0,0|2,0,0]=4 321 B6R0.3 O=C(O)[C@@H](N)CS AK-61915 [0,1,1,0,0,0|2,0,0]=4 322 B6R0.3 O=C(O)[C@@H](O)CN AK-75855 [0,1,1,0,0,0|2,0,0]=4 323 B6R0.3 O=C(O)[C@H](N)CCl AK-90315 [0,1,1,0,0,0|2,0,0]=4 324 B6R0.3 O=C(O)[C@H](N)CCl AK122809 [0,1,1,0,0,0|2,0,0]=4 325 B6R0.3 O=C(O)[C@H](N)CS AK175126 [0,1,1,0,0,0|2,0,0]=4 326 B6R0.4 CC(CCCCl)=O AK-48368 [0,1,1,0,0,0|0,0,0]=2 327 B6R0.4 CC(OCCBr)=O AK165045 [0,1,1,0,0,0|1,0,0]=3 328 B6R0.4 CCCCC([O-])=O AK163205 [0,1,1,0,0,0|1,0,0]=3 329 B6R0.4 CN(C)CCCBr AK-35747 [0,1,1,0,0,0|2,0,0]=4 330 B6R0.4 CN(C)CCCCl AK-25287 [0,1,1,0,0,0|2,0,0]=4 331 B6R0.4 CN(C)CCCCl AK113440 [0,1,1,0,0,0|2,0,0]=4 332 B6R0.4 CN(CCNC)C AK-64867 [0,1,1,0,0,0|2,0,0]=4 333 B6R0.4 NC(OCCC)=O AK116320 [0,1,1,0,0,0|1,0,0]=3 334 B6R0.4 O=C(N)NCCO AK121931 [0,1,1,0,0,0|2,0,0]=4 335 B6R0.4 O=C(O)CCC#N AK-47909 [0,1,1,0,0,0|1,0,1]=4 336 B6R0.4 O=C(O)CCCCl AK113749 [0,1,1,0,0,0|1,0,0]=3 337 B6R0.4 O=C(O)CCCN AK-43987 [0,1,1,0,0,0|1,0,0]=3 338 B6R0.4 O=C(O)CCNC AK155866 [0,1,1,0,0,0|1,0,0]=3 339 B6R0.4 O=C(O)CCOC AK-88477 [0,1,1,0,0,0|1,0,0]=3 340 B6R0.4 OC(=O)CCC#C AK-32594 [0,1,1,0,0,0|1,0,1]=4 341 B6R0.4 OCNCC(=O)[O-] AK-79027 [0,1,1,0,0,0|2,0,0]=4 342 B6R0.5 CCCS(=O)(N)=O AK113525 [0,1,1,0,0,0|2,0,0]=4 343 B6R0.5 CS(=O)(OCC)=O AK544582 [0,1,1,0,0,0|2,0,0]=4 344 B6R0.5 NCC[S](=O)(=O)C AK-39784 [0,1,1,0,0,0|2,0,0]=4 345 B6R0.6 BrCCCCCBr AK134932 [0,1,1,0,0,0|1,0,1]=4 346 B6R0.6 C(CCO)CCBr AK-72934 [0,1,1,0,0,0|0,0,2]=4 347 B6R0.6 C=CCCCCBr AK-48086 [0,1,1,0,0,0|1,0,0]=3 348 B6R0.6 CCCNCCO AK-60790 [0,1,1,0,0,0|0,0,2]=4 349 B6R0.6 C\C=C\CCCO AK-46431 [0,1,1,0,0,0|1,0,1]=4 350 B6R0.6 ClCCCCC=O AK110863 [0,1,1,0,0,0|0,0,0]=2 351 B6R0.6 FCCCCCBr AK-48229 [0,1,1,0,0,0|1,0,1]=4 352 B6R0.6 O=CCCCCO AK-40206 [0,1,1,0,0,0|0,0,0]=2 353 B6R0.6 OCCCCNC AK112657 [0,1,1,0,0,0|0,0,2]=4 354 B6R0.8 CCS(=O)(OC)=O AK544583 [0,1,1,0,0,0|2,0,0]=4 355 B6R1.5 NC1CC(=O)C1 AK-41683 [0,1,0,0,1,0|0,0,0]=2 356 B6R1.5 NC1CC(C)C1 AK131965 [0,1,0,0,1,0|1,0,1]=4 357 B6R1.5 O[C@H]1C[C@@H](N)C1 AK-39775 [0,1,0,0,1,0|0,0,2]=4 358 B6R1.5 O[C@H]1C[C@H](N)C1 AK-76970 [0,1,0,0,1,0|0,0,2]=4 359 B6R1.6 CNC1CCC1 AK157567 [0,1,0,0,1,0|1,0,1]=4 360 B6R1.6 NCC1CCC1 AK-40089 [0,1,0,0,1,0|1,0,1]=4 361 B6R1.6 NNC1CCC1 AK-51694 [0,1,0,0,1,0|1,0,1]=4 362 B6R1.10 NC1(C)CCC1 AK117597 [0,1,0,0,1,0|1,0,1]=4 363 B8R1.2 BrCC1CCCCC1 AK-34379 [0,1,0,0,0,1|1,0,1]=4 364 B8R1.2 BrCC1CCOCC1 AK-33044 [0,1,0,0,0,1|1,0,1]=4 365 B8R1.2 C#CC1CCCNC1 AK-40565 [0,1,0,0,0,1|1,0,1]=4 366 B8R1.2 C(C1CCOCC1)O AK-25438 [0,1,0,0,0,1|0,0,2]=4 367 B8R1.2 C1C(CCOC1)C#N AK-35140 [0,1,0,0,0,1|1,0,1]=4 368 B8R1.2 C1C(OCCC1)ON AK-26246 [0,1,0,0,0,1|0,0,2]=4 369 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [0,1,0,0,0,1|1,0,1]=4 370 B8R1.2 CNC1CCCNC1 AK-39351 [0,1,0,0,0,1|1,0,1]=4 371 B8R1.2 CNC1CCNCC1 AK-81357 [0,1,0,0,0,1|1,0,1]=4 372 B8R1.2 CNC1CCOCC1 AK-29001 [0,1,0,0,0,1|1,0,1]=4 373 B8R1.2 COC1CCNCC1 AK-86244 [0,1,0,0,0,1|0,0,2]=4 374 B8R1.2 ClCC1NCCCC1 AK-78057 [0,1,0,0,0,1|1,0,1]=4 375 B8R1.2 ICC1CCCCC1 AK126313 [0,1,0,0,0,1|1,0,1]=4 376 B8R1.2 ICC1CCOCC1 AK-51037 [0,1,0,0,0,1|1,0,1]=4 377 B8R1.2 N#CC1=CCCCO1 AK-78862 [0,1,0,0,0,1|1,0,1]=4 378 B8R1.2 N#CC1CCCCC1 AK117259 [0,1,0,0,0,1|1,0,1]=4 379 B8R1.2 N#CC1CCNCC1 AK-76369 [0,1,0,0,0,1|1,0,1]=4 380 B8R1.2 N#CC1CNCCC1 AK-84454 [0,1,0,0,0,1|1,0,1]=4 381 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [0,1,0,0,0,1|0,0,2]=4 382 B8R1.2 NCC1CCOCC1 AK-33095 [0,1,0,0,0,1|1,0,1]=4 383 B8R1.2 NNC1CCCCC1 AK-51695 [0,1,0,0,0,1|1,0,1]=4 384 B8R1.2 NNC1CCOCC1 AK-40761 [0,1,0,0,0,1|1,0,1]=4 385 B8R1.2 O=CN1CCOCC1 AK-47431 [0,1,0,0,0,1|1,0,0]=3 386 B8R1.2 OCC1CCCCC1 AK-47687 [0,1,0,0,0,1|0,0,2]=4 387 B8R1.2 OCC1CNCCC1 AK-26981 [0,1,0,0,0,1|0,0,2]=4 388 B8R1.2 OCC1NCCCC1 AK-47618 [0,1,0,0,0,1|0,0,2]=4 389 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [0,1,0,0,0,1|0,0,2]=4 390 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [0,1,0,0,0,1|0,0,2]=4 391 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [0,1,0,0,0,1|0,0,2]=4 392 B8R1.2 ONC1CCCCC1 AK113259 [0,1,0,0,0,1|0,0,2]=4 393 B8R1.2 ONC1CCCCC1 AK118974 [0,1,0,0,0,1|0,0,2]=4 394 B8R1.3 C1C(CCC(C1)O)N AK-39542 [0,1,0,0,0,1|0,0,2]=4 395 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,1,0,0,0,1|0,0,0]=2 396 B8R1.3 CN1CCC(CC1)Cl AK-49095 [0,1,0,0,0,1|1,0,1]=4 397 B8R1.3 CN1CCC(N)CC1 AK-22084 [0,1,0,0,0,1|1,0,1]=4 398 B8R1.3 NC1CCC(Br)CC1 AK-48715 [0,1,0,0,0,1|1,0,1]=4 399 B8R1.3 N[C@H]1CC[C@@H](C)CC1 AK139194 [0,1,0,0,0,1|1,0,1]=4 400 B8R1.3 N[C@H]1CC[C@@H](CC1)O AK-26050 [0,1,0,0,0,1|0,0,2]=4 401 B8R1.3 N[C@H]1CC[C@H](C)CC1 AK114539 [0,1,0,0,0,1|1,0,1]=4 402 B8R1.3 N[C@H]1CC[C@H](N)CC1 AK-44479 [0,1,0,0,0,1|1,0,1]=4 403 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [0,1,0,0,0,1|0,0,0]=2 404 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [0,1,0,0,0,1|1,0,1]=4 405 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,1,0,0,0,1|0,0,0]=2 406 B8R1.3 O=C1COC(O)C=C1 AK-82130 [0,1,0,0,0,1|0,0,2]=4 407 B8R1.3 O=C1NCC(N)CC1 AK132996 [0,1,0,0,0,1|0,0,0]=2 408 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,1,0,0,0,1|0,0,0]=2 409 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [0,1,0,0,0,1|0,0,0]=2 410 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,1,0,0,0,1|0,0,0]=2 411 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,1,0,0,0,1|0,0,0]=2 412 B8R1.3 OC1CCC(O)CC1 AK114734 [0,1,0,0,0,1|0,0,2]=4 413 B8R1.3 OC1CCN(C)CC1 AK-32773 [0,1,0,0,0,1|0,0,2]=4 414 B8R1.3 OC1CCN(N)CC1 AK116503 [0,1,0,0,0,1|0,0,2]=4 415 B8R1.3 O[C@H]1CC[C@@H](N)CC1 AK-48343 [0,1,0,0,0,1|0,0,2]=4 416 B8R1.3 O[C@H]1CC[C@H](N)CC1 AK-39826 [0,1,0,0,0,1|0,0,2]=4 417 B8R1.3 O[C@H]1CC[C@H](O)CC1 AK115903 [0,1,0,0,0,1|0,0,2]=4 418 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,1,0,0,0,1|1,0,0]=3 419 B8R1.4 C[C@@H]1CN(C)CCN1 AK158560 [0,1,0,0,0,1|2,0,0]=4 420 B8R1.4 C[C@H]1CN(C)CCN1 AK106695 [0,1,0,0,0,1|2,0,0]=4 421 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,1,0,0,0,1|0,0,1]=3 422 B8R1.4 NC1CCCC(C1)O AK-36106 [0,1,0,0,0,1|0,0,2]=4 423 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,1,0,0,0,1|0,0,0]=2 424 B8R1.4 NC1CN(C)CCC1 AK-76844 [0,1,0,0,0,1|1,0,1]=4 425 B8R1.4 NC=1CCCC(C1)=O AK-49851 [0,1,0,0,0,1|0,0,1]=3 426 B8R1.4 N[C@@H]1CN(C)CCC1 AK159101 [0,1,0,0,0,1|1,0,1]=4 427 B8R1.4 N[C@H]1CN(C)CCC1 AK153472 [0,1,0,0,0,1|1,0,1]=4 428 B8R1.4 N[C@H]1C[C@@H](N)CCC1 AK124383 [0,1,0,0,0,1|1,0,1]=4 429 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,1,0,0,0,1|0,0,0]=2 430 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,1,0,0,0,1|0,0,0]=2 431 B8R1.4 O=C1CC(COC1)=O AK-32470 [0,1,0,0,0,1|0,0,1]=3 432 B8R1.4 O=C1CSCC(=O)C1 AK-32471 [0,1,0,0,0,1|0,0,1]=3 433 B8R1.4 O=C1CSCC(O1)=O AK307186 [0,1,0,0,0,1|1,0,1]=4 434 B8R1.4 O=C1NC(=O)CNC1 AK-26011 [0,1,0,0,0,1|1,0,1]=4 435 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,1,0,0,0,1|0,0,0]=2 436 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,1,0,0,0,1|1,0,0]=3 437 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,1,0,0,0,1|0,0,0]=2 438 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,1,0,0,0,1|1,0,0]=3 439 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,1,0,0,0,1|1,0,0]=3 440 B8R1.4 O=C1[CH-]C(COC1)=O AK-42250 [0,1,0,0,0,1|0,0,2]=4 441 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [0,1,0,0,0,1|0,0,2]=4 442 B8R1.5 BrC1CCCCC1Br AK110889 [0,1,0,0,0,1|1,0,1]=4 443 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [0,1,0,0,0,1|0,0,2]=4 444 B8R1.5 CC1=NCCCN1C AK-78909 [0,1,0,0,0,1|2,0,0]=4 445 B8R1.5 CC1CNCCC1O AK-34735 [0,1,0,0,0,1|0,0,2]=4 446 B8R1.5 CC1CNCCC1O AK-77366 [0,1,0,0,0,1|0,0,2]=4 447 B8R1.5 CC1N(C)CCNC1 AK-27680 [0,1,0,0,0,1|2,0,0]=4 448 B8R1.5 FC1CCCCC1=O AK-79364 [0,1,0,0,0,1|0,0,0]=2 449 B8R1.5 NC1C(F)COCC1 AK-68595 [0,1,0,0,0,1|1,0,1]=4 450 B8R1.5 NC1CCCCC1=O AK110393 [0,1,0,0,0,1|0,0,0]=2 451 B8R1.5 NC1CCCNC1=O AK-32522 [0,1,0,0,0,1|0,0,0]=2 452 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [0,1,0,0,0,1|0,0,2]=4 453 B8R1.5 N[C@@H]1[C@@H](N)CCCC1 AK-51492 [0,1,0,0,0,1|1,0,1]=4 454 B8R1.5 N[C@@H]1[C@H](C)CCCC1 AK167720 [0,1,0,0,0,1|1,0,1]=4 455 B8R1.5 N[C@H]1CCCC[C@H]1N AK110121 [0,1,0,0,0,1|1,0,1]=4 456 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [0,1,0,0,0,1|0,0,2]=4 457 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [0,1,0,0,0,1|0,0,2]=4 458 B8R1.5 N[C@H]1[C@H](N)CCCC1 AK-49548 [0,1,0,0,0,1|1,0,1]=4 459 B8R1.5 O=C1C(C)CNCC1 AK-35717 [0,1,0,0,0,1|0,0,0]=2 460 B8R1.5 O=C1C(C)CNCC1 AK-44679 [0,1,0,0,0,1|0,0,0]=2 461 B8R1.5 O=C1C(CCCC1)=O AK-46655 [0,1,0,0,0,1|0,0,0]=2 462 B8R1.5 O=C1N(C)CCNC1 AK-38983 [0,1,0,0,0,1|1,0,0]=3 463 B8R1.5 O=C1N(N)CCCC1 AK132922 [0,1,0,0,0,1|0,0,0]=2 464 B8R1.5 O=C1NCCCC1N AK-58866 [0,1,0,0,0,1|0,0,0]=2 465 B8R1.5 O=C1NCCCC1O AK-25552 [0,1,0,0,0,1|0,0,0]=2 466 B8R1.5 O=C1NCCC[C@@H]1N AK-34760 [0,1,0,0,0,1|0,0,0]=2 467 B8R1.5 O=C1NCCN[C@@H]1C AK102951 [0,1,0,0,0,1|1,0,0]=3 468 B8R1.5 OC1C(N)CCCC1 AK116055 [0,1,0,0,0,1|0,0,2]=4 469 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [0,1,0,0,0,1|0,0,2]=4 470 B8R1.5 O[C@H]1COCC[C@@H]1N AK172298 [0,1,0,0,0,1|0,0,2]=4 471 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [0,1,0,0,0,1|0,0,2]=4 472 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [0,1,0,0,0,1|0,0,2]=4 473 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [0,1,0,0,0,1|0,0,2]=4 474 B8R1.72 CC1(C)CCNCC1 AK116331 [0,1,0,0,0,1|1,0,1]=4 475 B8R1.72 CC1(CCOCC1)O AK-31507 [0,1,0,0,0,1|0,0,2]=4 476 B8R1.72 C[N+]1(C)CCCCC1 AK163545 [0,1,0,0,0,1|2,0,0]=4 477 B8R1.72 C[Si]1(C)CCNCC1 AK173609 [0,1,0,0,0,1|1,1,0]=4 478 B8R1.72 FC1(F)CNCCC1 AK-32194 [0,1,0,0,0,1|1,0,1]=4 479 B8R1.72 NC1(C)CCOCC1 AK-31509 [0,1,0,0,0,1|1,0,1]=4 480 B8R1.72 O=S1(CCCCO1)=O AK-49451 [0,1,0,0,0,1|1,0,0]=3 481 B8R1.72 O=S1(CCNCC1)=O AK-26927 [0,1,0,0,0,1|1,0,0]=3 482 B8R1.72 O=S1(CCNCC1)=O AK-34978 [0,1,0,0,0,1|1,0,0]=3 483 B8R1.72 OC1(C)CCCCC1 AK161821 [0,1,0,0,0,1|0,0,2]=4 484 B8R1.72 OC1(C)CCNCC1 AK-79153 [0,1,0,0,0,1|0,0,2]=4 485 B8R1.72 OC1(O)CCNCC1 AK109336 [0,1,0,0,0,1|0,0,2]=4 486 B8R1.1 O=C1NC(CO)CC1 AK114000 [0,2,0,0,0,0|1,0,0]=3 487 B8R1.1 O=C1N[C@@H](CBr)CC1 AK-45071 [0,2,0,0,0,0|1,0,0]=3 488 B8R1.1 O=C1N[C@H](CBr)CC1 AK-45147 [0,2,0,0,0,0|1,0,0]=3 489 B8R1.1 O=C1OC[C@H](CI)N1 AK131031 [0,2,0,0,0,0|2,0,0]=4 490 B8R1.1 O=C1O[C@H](CCl)CN1 AK110469 [0,2,0,0,0,0|2,0,0]=4 491 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [0,2,0,0,0,0|1,0,0]=3 492 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [0,2,0,0,0,0|1,0,0]=3 493 B8R1.7 C[C@@H](N)C1CCCC1 AK332865 [0,2,0,0,0,0|1,0,1]=4 494 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [0,2,0,0,0,0|1,0,1]=4 495 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [0,2,0,0,0,0|1,0,1]=4 496 B8R1.7 O=C(C1=CCCC1)O AK-33463 [0,2,0,0,0,0|0,0,1]=3 497 B8R1.7 O=C(C1CCCC1)O AK-39169 [0,2,0,0,0,0|0,0,1]=3 498 B8R1.7 O=C(C1COCC1)O AK-44786 [0,2,0,0,0,0|1,0,1]=4 499 B8R1.7 O=C(C1NCCC1)N AK-65799 [0,2,0,0,0,0|1,0,1]=4 500 B8R1.7 O=C(N)[C@H]1NCCC1 AK-46342 [0,2,0,0,0,0|1,0,1]=4 501 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [0,2,0,0,0,0|1,0,1]=4 502 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [0,2,0,0,0,0|1,0,1]=4 503 B8R1.7 O=C([C@H]1COCC1)O AK-30108 [0,2,0,0,0,0|1,0,1]=4 504 B8R1.7 O=[C@@]([C@@H]1CNCC1)O AK-74153 [0,2,0,0,0,0|1,0,1]=4 505 B8R1.7 O=[N+](C1=NOCC1)[O-] AK122830 [0,2,0,0,0,0|2,0,0]=4 506 B8R1.7 OB(C1=CCCC1)O AK-61970 [0,2,0,0,0,0|0,0,2]=4 507 B8R1.7 OB(C1CCCC1)O AK-61891 [0,2,0,0,0,0|0,0,2]=4 508 B8R1.7 OC(=O)C1CCCN1 AK-54077 [0,2,0,0,0,0|1,0,1]=4 509 B8R1.7 OC(=O)C1CCCO1 AK-60899 [0,2,0,0,0,0|1,0,1]=4 510 B8R1.7 OC(=O)[C@@H]1CCNC1 AK-29667 [0,2,0,0,0,0|1,0,1]=4 511 B8R1.7 OC(=O)[C@H]1CCNC1 AK-73148 [0,2,0,0,0,0|1,0,1]=4 512 B8R1.8 BrCCN1CCCC1 AK-87121 [0,2,0,0,0,0|2,0,0]=4 513 B8R1.8 C#CCN1CCCC1 AK172817 [0,2,0,0,0,0|2,0,0]=4 514 B8R1.8 ClCCN1CCCC1 AK-36224 [0,2,0,0,0,0|2,0,0]=4 515 B8R1.8 N#CCN1CCCC1 AK116272 [0,2,0,0,0,0|2,0,0]=4 516 B8R1.8 N#CC[NH+]1CCCC1 AK159463 [0,2,0,0,0,0|2,0,0]=4 517 B8R1.8 NCCC1CCCC1 AK-84118 [0,2,0,0,0,0|1,0,1]=4 518 B8R1.11 CN1CCC[C@@H]1CO AK-46413 [0,2,0,0,0,0|2,0,0]=4 519 B8R1.11 CN1[C@H](CBr)CCC1 AK159349 [0,2,0,0,0,0|2,0,0]=4 520 B8R1.11 NC[C@H]1N(C)CCC1 AK150867 [0,2,0,0,0,0|2,0,0]=4 521 B8R1.11 O=C1C(C#N)CCC1 AK-44929 [0,2,0,0,0,0|0,0,0]=2 522 B8R1.11 O=C1C(CC)CCC1 AK112291 [0,2,0,0,0,0|0,0,0]=2 523 B8R1.11 O=C1C(CO)CCC1 AK146211 [0,2,0,0,0,0|0,0,0]=2 524 B8R1.11 O=C1N(CC)CCC1 AK106210 [0,2,0,0,0,0|1,0,0]=3 525 B8R1.11 OCC1N(C)CCC1 AK-25839 [0,2,0,0,0,0|2,0,0]=4 526 B8R1.11 OC[C@H]1N(C)CCC1 AK-39889 [0,2,0,0,0,0|2,0,0]=4 527 B8R1.52 C[N+]1(CC)CCCC1 AK-40712 [0,2,0,0,0,0|2,0,0]=4 528 B8R1.52 NCC1(CCCC1)O AK-70915 [0,2,0,0,0,0|0,0,2]=4 529 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [0,2,0,0,0,0|1,0,1]=4 530 B8R1.50 CC1C(CCC1=O)=O AK-50538 [0,2,0,0,0,0|0,0,1]=3 531 B8R1.50 CC=1CCC(C1O)=O AK103328 [0,2,0,0,0,0|0,0,2]=4 532 B8R1.50 O=C1CCC(N1I)=O AK-76663 [0,2,0,0,0,0|1,0,1]=4 533 B8R1.50 O=C1CCC(N1O)=O AK-94009 [0,2,0,0,0,0|1,0,1]=4 534 B8R1.50 O=C1OC[C@@H](O)[C@H]1O AK158528 [0,2,0,0,0,0|1,0,0]=3 535 B8R1.51 CC1(C)CCC(=O)N1 AK-90081 [0,2,0,0,0,0|1,0,0]=3 536 B8R1.51 NC1CCS(C1)(=O)=O AK-81662 [0,2,0,0,0,0|1,0,0]=3 537 B8R1.51 N[C@@H]1CCS(C1)(=O)=O AK210018 [0,2,0,0,0,0|1,0,0]=3 538 B8R1.51 O=C1NCC(C)(C)C1 AK118621 [0,2,0,0,0,0|1,0,0]=3 539 B8R1.51 O=C1OC(C)(C)CC1 AK-44637 [0,2,0,0,0,0|1,0,0]=3 540 B6R1.11 CC(N)C1CC1 AK-59911 [0,0,1,1,0,0|1,0,1]=4 541 B6R1.11 C[C@H](N)C1CC1 AK166914 [0,0,1,1,0,0|1,0,1]=4 542 B6R1.11 N=C(C1CC1)N AK-61863 [0,0,1,1,0,0|2,0,0]=4 543 B6R1.1 C1CC=CCN1 AK-91689 [0,0,1,1,0,0|2,0,0]=4 544 B6R1.1 C1CCNNC1 AK-81490 [0,0,1,1,0,0|2,0,0]=4 545 B6R1.1 O1NCCCC1 AK156568 [0,0,1,1,0,0|1,0,1]=4 546 B6R1.1 [NH2+]1CCCCC1 AK-41004 [0,0,1,1,0,0|1,0,1]=4 547 B6R1.1 [NH2+]1CCCCC1 AK-97257 [0,0,1,1,0,0|1,0,1]=4 548 B8R2.11 NC1C2COCC12 AK-31517 [0,0,0,1,0,1|1,0,1]=4 549 B8R2.34 C12NC(CC1)CC2 AK-34482 [0,0,0,1,0,1|1,0,1]=4 550 B4R1.1 N1CCC1 AK-23880 [1,0,0,0,1,0|1,0,0]=3 551 B8R1.22 C=C1OCCCCO1 AK154780 [0,0,0,0,0,2|1,0,0]=3 552 B8R1.22 CC1NCCNCC1 AK-34218 [0,0,0,0,0,2|1,0,1]=4 553 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,0,0,0,0,2|0,0,0]=2 554 B8R1.22 N[C@H]1CNCCCC1 AK-78190 [0,0,0,0,0,2|1,0,1]=4 555 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,0,0,0,0,2|0,0,0]=2 556 B8R1.22 O=C1CNCCCN1 AK-94980 [0,0,0,0,0,2|0,0,0]=2 557 B8R1.22 O=C1NCCNCC1 AK-25582 [0,0,0,0,0,2|0,0,0]=2 558 B8R1.22 O=C1NCCOCC1 AK158455 [0,0,0,0,0,2|0,0,0]=2 559 B8R1.22 O=C1OCCCCC1 AK164169 [0,0,0,0,0,2|0,0,0]=2