0 B6R0.1 C=CC[C@@H](N)CO AK684514 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CCCC(NN)=O AK-95909 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CCC[C@H](N)CO AK-81386 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.1 N#CC[C@H](O)CCl AK-33074 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 O=C(NCC)CN AK-65785 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 O=C(OC)CCBr AK-91613 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 O=C(OC)CCN AK-46776 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 O=C(OC)CCO AK-83355 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 O=C(OC)CNC AK-58375 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 O=C(OC)OCC AK397345 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 O=C(OCC)CO AK-98662 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 OCC(O)CNC AK-68394 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.1 C(C(=O)O)NC AK-47434 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CC(N)CCO AK-81869 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 CCCB(O)O AK-47948 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 CN(CCBr)C AK-35597 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 C[C@@H](N)CC#N AK203337 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 C[C@@H](N)CCC AK608015 [1,0,0,0,0,0|1,0,0]=2 18 B5R0.1 C[C@@H](N)CCO AK-41725 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 C[C@@H](N)COC AK-72611 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 C[C@@H](O)CCO AK-86774 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.1 C[C@H](N)CC#N AK173140 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 C[C@H](N)CCC AK171191 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.1 C[C@H](N)CCO AK-41726 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 NCCC(O)=O AK-41261 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 NOCC(C)C AK-83418 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 O=P(CCN)O AK477259 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.2 BrCCCC#N AK110352 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.2 C(CCN)CN AK-46742 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.2 C=CCCCO AK325629 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.2 CNOCCN AK155896 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.2 ClCCCCBr AK105174 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.2 ICCCCCl AK116716 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.2 ICCCCI AK112667 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.2 N#CCCNC AK116969 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 N#CCCOC AK-46138 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 NCCCCBr AK-51681 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.2 NOCCCC AK-85835 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.2 OCCCCN AK-58038 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.2 OCCCNC AK112615 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.3 C(C(CN)O)N AK-49066 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.3 CC(CCl)CBr AK112650 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.3 CCC(CN)=O AK-38468 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.3 CCC(CO)=O AK149491 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.3 CCC(N)CO AK-57405 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.3 CC[C@@H](O)CO AK110229 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.3 CC[C@H](N)CO AK-86460 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.3 CC[C@H](O)CO AK110230 [1,0,0,0,0,0|1,0,0]=2 48 B5R0.3 C[C@@H](OC)CN AK153940 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.3 O=C[C@H](O)CO AK122382 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.3 OC(CCl)CN AK123258 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.3 OC[C@@H](O)CN AK-35849 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.3 OC[C@H](O)CN AK-36032 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.3 O[C@H](CCl)CN AK123304 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.2 CCC(N)CC(O)=O AK-45971 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [0,1,0,0,0,0|1,0,2]=4 58 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,1,0,0,0,0|1,0,2]=4 59 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.2 N[C@@H](CC(C)C)CO AK-47555 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.2 N[C@H](CC(C)C)CO AK-43973 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.3 CCCCC(O)CO AK161793 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.3 N[C@@H](CCSC)CO AK-81277 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.3 O=C(OC)CCCBr AK-94853 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.3 O=C(OC)CCNC AK-85857 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.5 CCOC(=O)C(C)N AK-46063 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [0,1,0,0,0,0|1,0,2]=4 70 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [0,1,0,0,0,0|1,0,2]=4 72 B7R0.5 O=C(O)C(O)CCN AK-75839 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,1,0,0,0,0|1,0,2]=4 76 B7R0.7 C(OC)C(O)COC AK-46679 [0,1,0,0,0,0|1,0,0]=2 77 B7R0.7 CCOC(=O)CCBr AK-76993 [0,1,0,0,0,0|1,0,2]=4 78 B7R0.7 CCOC(=O)CCO AK-41251 [0,1,0,0,0,0|1,0,2]=4 79 B7R0.7 NC(COC)COC AK-79017 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.7 O=C(COC)COC AK116819 [0,1,0,0,0,0|1,0,2]=4 81 B7R0.7 O=C(NCC)NCC AK116700 [0,1,0,0,0,0|1,0,2]=4 82 B7R0.7 O=C(OCC)CCN AK-49791 [0,1,0,0,0,0|1,0,2]=4 83 B7R0.7 O=C(OCC)CNC AK-44190 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.10 CCC(N)C(OC)=O AK115477 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [0,1,0,0,0,0|1,0,2]=4 86 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [0,1,0,0,0,0|1,0,2]=4 87 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.10 COC(O)C(=O)OC AK-33946 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.10 N[C@@H]([C@@H](C)CC)CO AK-47506 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.10 OC[C@@H](O)[C@@H](O)CO AK128364 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.12 CCN(CC)CCO AK109514 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.12 CCN(CCS)CC AK308969 [0,1,0,0,0,0|3,0,0]=4 95 B7R1.1 BrCC1CCCC1 AK-88361 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.1 BrCC1CCOC1 AK-51697 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.1 BrCC1OCCO1 AK110803 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.1 C(C1CCCC1)O AK-46653 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.1 CC[C@H]1NCCC1 AK131266 [0,0,0,1,0,0|1,0,0]=2 100 B7R1.1 CNC1COCC1 AK-48592 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.1 COC1=NCCC1 AK-49858 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.1 COC1CNCC1 AK-33180 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.1 CO[C@@H]1CNCC1 AK-36107 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.1 CO[C@H]1CNCC1 AK-35279 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.1 NCC1CCCC1 AK-27938 [0,0,0,1,0,0|2,0,0]=3 106 B7R1.1 NCC1CCOC1 AK-33831 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.1 NCC1COCC1 AK-50648 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.1 NCC1NCCC1 AK-26146 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.1 NC[C@@H]1NCCC1 AK110323 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.1 NC[C@H]1NCCC1 AK-48661 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.1 NNC1CCCC1 AK-44319 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.1 OCC1CCCN1 AK-40306 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.1 OCC1CNCC1 AK-26048 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.1 OCC1CNCC1 AK-38963 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.1 OCC1CNCC1 AK105115 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.1 OCC1COCC1 AK-51698 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.1 OCC1OCCC1 AK106959 [0,0,0,1,0,0|1,0,0]=2 118 B7R1.1 OCC1OCCO1 AK159792 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.1 OCC1OCOC1 AK112875 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.1 OC[C@@H]1NCCC1 AK-44186 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.1 OC[C@H]1CNCC1 AK-32836 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.1 OC[C@H]1CNCC1 AK108367 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.1 OC[C@H]1COCC1 AK129134 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.1 OC[C@H]1NCCC1 AK-46693 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.2 CN1CCC(Br)C1 AK-43626 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.2 CN1C[C@H](O)CC1 AK-44894 [0,0,0,1,0,0|1,0,0]=2 128 B7R1.2 N[C@@H]1CC[C@H](O)C1 AK105087 [0,0,0,1,0,0|1,0,0]=2 129 B7R1.2 N[C@@H]1CN(C)CC1 AK149723 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.2 N[C@H]1C[C@H](N)CC1 AK146331 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.2 N[C@H]1C[C@H](O)CC1 AK-65339 [0,0,0,1,0,0|1,0,0]=2 132 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.2 O=C1OC(C)CC1 AK117314 [0,0,0,1,0,0|1,0,2]=4 135 B7R1.2 OC1CC(N)CC1 AK-64395 [0,0,0,1,0,0|1,0,0]=2 136 B7R1.2 OC1CN(C)CC1 AK-29830 [0,0,0,1,0,0|1,0,0]=2 137 B7R1.2 O[C@@H]1CN(C)CC1 AK-44893 [0,0,0,1,0,0|1,0,0]=2 138 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.2 O[C@@H]1C[C@@H](N)CC1 AK122534 [0,0,0,1,0,0|1,0,0]=2 140 B7R1.3 BrC1CCCCC1 AK-77686 [0,0,0,1,0,0|1,0,0]=2 141 B7R1.3 BrC1CCNCC1 AK-47522 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.3 BrC1CCOCC1 AK-29943 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.3 C1C(=O)CCNC1 AK-46400 [0,0,0,1,0,0|1,0,2]=4 144 B7R1.3 C1C(CCOC1)N AK-25779 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.3 C1CC(CCO1)O AK-25581 [0,0,0,1,0,0|1,0,0]=2 146 B7R1.3 CC1CNCCO1 AK100672 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.3 CC1NCCOC1 AK-35119 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.3 C[C@@H]1CNCCC1 AK141528 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.3 C[C@@H]1CNCCO1 AK-59893 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.3 C[C@@H]1NCCOC1 AK-29208 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.3 C[C@@H]1NCCOC1 AK-50492 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.3 C[C@H]1CNCCC1 AK-93998 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.3 C[C@H]1CNCCO1 AK-42092 [0,0,0,1,0,0|3,0,0]=4 154 B7R1.3 C[C@H]1NCCNC1 AK-32235 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.3 C[C@H]1NCCOC1 AK-39747 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.3 C[C@H]1NCCOC1 AK-50489 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.3 ClC1CCNCC1 AK-26089 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.3 IC1CCOCC1 AK-29944 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.3 N1[C@H](CNCC1)C AK-46798 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.3 NC1CCSCC1 AK-77885 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.3 NC1CNCCC1 AK-33202 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.3 NN1CCCCC1 AK109255 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.3 N[C@@H]1CNCCC1 AK-50142 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.3 N[C@@H]1COCCC1 AK-77753 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.3 N[C@H]1CCCNC1 AK-34730 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.3 N[C@H]1CNCCC1 AK-33065 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.3 N[C@H]1CNCCC1 AK-34731 [0,0,0,1,0,0|2,0,0]=3 168 B7R1.3 N[C@H]1COCCC1 AK-77571 [0,0,0,1,0,0|2,0,0]=3 169 B7R1.3 O1CCCC(C1)O AK-32117 [0,0,0,1,0,0|1,0,0]=2 170 B7R1.3 O=C1CCCCO1 AK101117 [0,0,0,1,0,0|1,0,2]=4 171 B7R1.3 O=C1CCCOC1 AK-32516 [0,0,0,1,0,0|1,0,2]=4 172 B7R1.3 O=C1CCOCC1 AK-25731 [0,0,0,1,0,0|1,0,2]=4 173 B7R1.3 O=C1CCSCC1 AK-25499 [0,0,0,1,0,0|1,0,2]=4 174 B7R1.3 O=C1CNCCC1 AK-38925 [0,0,0,1,0,0|1,0,2]=4 175 B7R1.3 O=C1CNCCC1 AK-64363 [0,0,0,1,0,0|1,0,2]=4 176 B7R1.3 O=C1CSCCC1 AK112945 [0,0,0,1,0,0|1,0,2]=4 177 B7R1.3 OC1CCNCC1 AK-46522 [0,0,0,1,0,0|1,0,0]=2 178 B7R1.3 OC1CCNCC1 AK-80456 [0,0,0,1,0,0|1,0,0]=2 179 B7R1.3 OC1COCOC1 AK-85976 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.3 O[C@@H]1CCCNC1 AK-29918 [0,0,0,1,0,0|1,0,0]=2 181 B7R1.3 O[C@H]1CCCNC1 AK-29273 [0,0,0,1,0,0|1,0,0]=2 182 B7R1.4 CC1CSCC1=O AK104742 [0,0,0,1,0,0|1,0,2]=4 183 B7R1.4 N[C@@H]1CCC[C@H]1O AK-27349 [0,0,0,1,0,0|1,0,0]=2 184 B7R1.4 N[C@@H]1CCC[C@H]1O AK-36104 [0,0,0,1,0,0|1,0,0]=2 185 B7R1.4 N[C@H]1CCC[C@@H]1O AK-24345 [0,0,0,1,0,0|1,0,0]=2 186 B7R1.4 N[C@H]1CCC[C@H]1O AK-33189 [0,0,0,1,0,0|1,0,0]=2 187 B7R1.4 N[C@H]1COC[C@H]1N AK-86692 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.4 N[C@H]1[C@H](N)CCC1 AK549107 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.4 O=C1NCC[C@H]1O AK-39107 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [0,0,0,1,0,0|2,0,1]=4 192 B7R1.4 OC1C(N)CCC1 AK-50447 [0,0,0,1,0,0|1,0,0]=2 193 B7R1.4 OC1CCNC1=O AK-39164 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.4 O[C@@H]1[C@H](N)CCC1 AK-34210 [0,0,0,1,0,0|1,0,0]=2 195 B7R1.4 O[C@H]1CNC[C@@H]1O AK-50228 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.4 O[C@H]1CNC[C@H]1O AK142193 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.4 O[C@H]1COC[C@@H]1N AK129339 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.4 O[C@H]1[C@H](N)CCC1 AK327767 [0,0,0,1,0,0|1,0,0]=2 199 B7R1.4 S=C1N(C)CCC1 AK308101 [0,0,0,1,0,0|1,1,1]=4 200 B7R1.6 CCOC1CNC1 AK-71516 [0,0,0,1,0,0|3,0,0]=4 201 B7R1.6 CCOC1CNC1 AK-92383 [0,0,0,1,0,0|3,0,0]=4 202 B7R1.6 COCC1CNC1 AK-40838 [0,0,0,1,0,0|3,0,0]=4 203 B7R1.6 OCCN1CCC1 AK116274 [0,0,0,1,0,0|3,0,0]=4 204 B7R1.10 N[C@H]1C[C@H](OC)C1 AK171868 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.25 C(C1(COC1)C)O AK-27014 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.25 CC1(CBr)COC1 AK-77190 [0,0,0,1,0,0|3,0,0]=4 207 B7R1.25 NCC1(C)COC1 AK-46160 [0,0,0,1,0,0|3,0,0]=4 208 B7R1.25 OCC1(N)COC1 AK140937 [0,0,0,1,0,0|3,0,0]=4 209 B4R0.1 CCB(O)O AK-25979 [2,0,0,0,0,0|2,0,0]=4 210 B4R0.1 C[C@@H](N)CO AK-46726 [2,0,0,0,0,0|2,0,0]=4 211 B4R0.1 C[C@@H](O)CCl AK-73033 [2,0,0,0,0,0|1,0,0]=3 212 B4R0.1 C[C@@H](O)CN AK-76466 [2,0,0,0,0,0|1,0,0]=3 213 B4R0.1 C[C@@H](O)CO AK158454 [2,0,0,0,0,0|1,0,0]=3 214 B4R0.1 C[C@H](N)CN AK-51561 [2,0,0,0,0,0|2,0,0]=4 215 B4R0.1 C[C@H](O)CN AK-72977 [2,0,0,0,0,0|1,0,0]=3 216 B4R0.1 C[C@H](O)CO AK111153 [2,0,0,0,0,0|1,0,0]=3 217 B4R0.1 NC(C)CO AK-46466 [2,0,0,0,0,0|2,0,0]=4 218 B4R0.2 BrCCNC AK153488 [2,0,0,0,0,0|2,0,0]=4 219 B4R0.2 C(Br)CCN AK-73071 [2,0,0,0,0,0|2,0,0]=4 220 B4R0.2 ClCCNC AK123132 [2,0,0,0,0,0|2,0,0]=4 221 B4R0.2 ICCCI AK126057 [2,0,0,0,0,0|2,0,0]=4 222 B4R0.2 NCCCCl AK164441 [2,0,0,0,0,0|2,0,0]=4 223 B4R0.2 NNCCC AK-76893 [2,0,0,0,0,0|2,0,0]=4 224 B4R0.2 NNCCO AK-41264 [2,0,0,0,0,0|2,0,0]=4 225 B4R0.2 OCCCBr AK-77055 [2,0,0,0,0,0|1,0,0]=3 226 B6R0.2 CC(C)CB(O)O AK-26354 [1,1,0,0,0,0|2,0,0]=4 227 B6R0.2 CC(C)NC(C)C AK101661 [1,1,0,0,0,0|2,0,0]=4 228 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [1,1,0,0,0,0|1,0,1]=4 229 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [1,1,0,0,0,0|1,0,1]=4 230 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [1,1,0,0,0,0|1,0,1]=4 231 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [1,1,0,0,0,0|1,0,1]=4 232 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [1,1,0,0,0,0|1,0,1]=4 233 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [1,1,0,0,0,0|1,0,1]=4 234 B6R0.2 NC(C)CC(C)C AK205814 [1,1,0,0,0,0|1,0,0]=3 235 B6R0.3 C(C(C(C)C)N)O AK-46643 [1,1,0,0,0,0|2,0,0]=4 236 B6R0.3 C(C(N)C(O)=O)C AK-46591 [1,1,0,0,0,0|1,0,1]=4 237 B6R0.3 CC(C)C(N)CO AK-62680 [1,1,0,0,0,0|2,0,0]=4 238 B6R0.3 CC[C@@H](C)C(O)=O AK-77439 [1,1,0,0,0,0|1,0,1]=4 239 B6R0.3 CC[C@@H](N)C(O)=O AK-41592 [1,1,0,0,0,0|1,0,1]=4 240 B6R0.3 CC[C@H](N)C(O)=O AK-46752 [1,1,0,0,0,0|1,0,1]=4 241 B6R0.3 CC[C@H](O)C(O)=O AK-34732 [1,1,0,0,0,0|1,0,1]=4 242 B6R0.3 C[C@@H](O)[C@H](N)CO AK-61256 [1,1,0,0,0,0|1,0,0]=3 243 B6R0.3 C[C@H](O)[C@@H](N)CO AK-81264 [1,1,0,0,0,0|1,0,0]=3 244 B6R0.3 [C@@H](N)(C(C)C)CO AK-46511 [1,1,0,0,0,0|2,0,0]=4 245 B6R0.4 CC(C)NCCCl AK110294 [1,1,0,0,0,0|2,0,0]=4 246 B6R0.4 CC(C)OCCBr AK110255 [1,1,0,0,0,0|2,0,0]=4 247 B6R0.4 CC(CCCCl)=O AK-48368 [1,1,0,0,0,0|0,0,2]=4 248 B6R0.4 CCCCB(O)O AK-44016 [1,1,0,0,0,0|2,0,0]=4 249 B6R0.4 CN(C)CCCBr AK-35747 [1,1,0,0,0,0|2,0,0]=4 250 B6R0.4 CN(C)CCCCl AK-25287 [1,1,0,0,0,0|2,0,0]=4 251 B6R0.4 CN(C)CCCCl AK113440 [1,1,0,0,0,0|2,0,0]=4 252 B6R0.4 CN(CCNC)C AK-64867 [1,1,0,0,0,0|2,0,0]=4 253 B6R0.4 O=C(O)CCCCl AK113749 [1,1,0,0,0,0|1,0,1]=4 254 B6R0.4 O=C(O)CCCN AK-43987 [1,1,0,0,0,0|1,0,1]=4 255 B6R0.4 O=C(O)CCNC AK155866 [1,1,0,0,0,0|1,0,1]=4 256 B6R0.4 O=C(O)CCOC AK-88477 [1,1,0,0,0,0|1,0,1]=4 257 B6R0.5 CC(C)(N)CCO AK146046 [1,1,0,0,0,0|2,0,0]=4 258 B6R0.6 BrCCCCCBr AK134932 [1,1,0,0,0,0|1,0,0]=3 259 B6R0.6 BrCCNCCBr AK-72773 [1,1,0,0,0,0|2,0,0]=4 260 B6R0.6 C(CCO)CCBr AK-72934 [1,1,0,0,0,0|1,0,0]=3 261 B6R0.6 C=CCCCCBr AK-48086 [1,1,0,0,0,0|0,0,2]=4 262 B6R0.6 CCCNCCO AK-60790 [1,1,0,0,0,0|1,0,0]=3 263 B6R0.6 C\C=C\CCCO AK-46431 [1,1,0,0,0,0|0,0,2]=4 264 B6R0.6 ClCCCCC=O AK110863 [1,1,0,0,0,0|1,0,1]=4 265 B6R0.6 ClCCNCCCl AK-44109 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.6 ClCCOCCO AK114565 [1,1,0,0,0,0|2,0,0]=4 267 B6R0.6 FCCCCCBr AK-48229 [1,1,0,0,0,0|1,0,0]=3 268 B6R0.6 O=CCCCCO AK-40206 [1,1,0,0,0,0|1,0,1]=4 269 B6R0.6 OCCCCNC AK112657 [1,1,0,0,0,0|1,0,0]=3 270 B6R0.9 OCC(CO)CO AK-81647 [1,1,0,0,0,0|2,0,0]=4 271 B8R0.2 CC(C)[C@H](O)C(OC)=O AK146226 [0,2,0,0,0,0|1,0,1]=4 272 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [0,2,0,0,0,0|0,0,2]=4 273 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [0,2,0,0,0,0|0,0,2]=4 274 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [0,2,0,0,0,0|1,0,1]=4 275 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [0,2,0,0,0,0|0,0,2]=4 276 B8R0.16 CC(O)CN(CC)CC AK324189 [0,2,0,0,0,0|2,0,0]=4 277 B8R0.19 CCC(CC(CC)=O)=O AK-88511 [0,2,0,0,0,0|0,0,2]=4 278 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [0,2,0,0,0,0|1,0,1]=4 279 B8R0.23 CC(C)C[C@@H](O)C(O)=O AK-90931 [0,2,0,0,0,0|1,0,1]=4 280 B8R0.23 CC(C)C[C@H](O)C(O)=O AK-58745 [0,2,0,0,0,0|1,0,1]=4 281 B8R0.24 C[N+](C)(C)CC(O)CCl AK117117 [0,2,0,0,0,0|2,0,0]=4 282 B8R0.24 C[N+](C)(C)CC(O)CO AK544946 [0,2,0,0,0,0|2,0,0]=4 283 B8R0.1 CCOC(=O)CCCI AK102411 [0,2,0,0,0,0|0,0,2]=4 284 B8R0.1 CCOC(=O)CCCN AK-47111 [0,2,0,0,0,0|0,0,2]=4 285 B8R0.1 O=C(OCC)CCCBr AK-41609 [0,2,0,0,0,0|0,0,2]=4 286 B8R0.3 CC[C@H](N)C(OCC)=O AK342326 [0,2,0,0,0,0|0,0,2]=4 287 B8R0.3 O=CC[C@@H]([C@@H](CO)O)O AK-25106 [0,2,0,0,0,0|1,0,1]=4 288 B8R0.6 C=CC(O)CCCCC AK164470 [0,2,0,0,0,0|0,0,2]=4 289 B8R0.6 OC[C@@H](N)CCCCN AK165144 [0,2,0,0,0,0|2,0,0]=4 290 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [0,2,0,0,0,0|0,0,2]=4 291 B8R0.8 O=C([O-])C(O)CCSC AK109150 [0,2,0,0,0,0|1,0,1]=4 292 B8R0.11 CCN(CC)CCCCl AK160539 [0,2,0,0,0,0|2,0,0]=4 293 B8R0.11 COC(OC)CCCCl AK106086 [0,2,0,0,0,0|1,0,0]=3 294 B8R0.11 N#CCCC(OC)OC AK-44411 [0,2,0,0,0,0|1,0,1]=4 295 B8R0.11 OCCCN(CC)CC AK163232 [0,2,0,0,0,0|2,0,0]=4 296 B8R0.22 CCN(CCO)CCO AK-54555 [0,2,0,0,0,0|2,0,0]=4 297 B8R0.22 CCOC(OCC)CN AK601229 [0,2,0,0,0,0|2,0,0]=4 298 B8R0.22 CCOC(OCC)CO AK-54608 [0,2,0,0,0,0|1,0,0]=3 299 B8R0.22 O=CN(CCC)CCC AK325108 [0,2,0,0,0,0|1,0,1]=4 300 B6R1.2 C1C(COC1)O AK-46125 [1,0,0,1,0,0|1,0,0]=3 301 B6R1.2 CC1CNCC1 AK-46149 [1,0,0,1,0,0|2,0,0]=4 302 B6R1.2 C[C@@H]1CCCN1 AK-28779 [1,0,0,1,0,0|1,0,0]=3 303 B6R1.2 C[C@@H]1CNCC1 AK-45142 [1,0,0,1,0,0|2,0,0]=4 304 B6R1.2 FC1CNCC1 AK-38962 [1,0,0,1,0,0|2,0,0]=4 305 B6R1.2 F[C@@H]1CCNC1 AK-30244 [1,0,0,1,0,0|2,0,0]=4 306 B6R1.2 F[C@H]1CCNC1 AK-32303 [1,0,0,1,0,0|2,0,0]=4 307 B6R1.2 IC1COCC1 AK162325 [1,0,0,1,0,0|2,0,0]=4 308 B6R1.2 I[C@H]1COCC1 AK170642 [1,0,0,1,0,0|2,0,0]=4 309 B6R1.2 N1CCC(O)C1 AK-27184 [1,0,0,1,0,0|1,0,0]=3 310 B6R1.2 N1[C@@H](C)CCC1 AK-30035 [1,0,0,1,0,0|1,0,0]=3 311 B6R1.2 NC1CNCC1 AK-24781 [1,0,0,1,0,0|2,0,0]=4 312 B6R1.2 NC1COCC1 AK-25569 [1,0,0,1,0,0|2,0,0]=4 313 B6R1.2 N[C@@H]1CNCC1 AK-46300 [1,0,0,1,0,0|2,0,0]=4 314 B6R1.2 N[C@@H]1COCC1 AK-32266 [1,0,0,1,0,0|2,0,0]=4 315 B6R1.2 N[C@H]1CNCC1 AK-47751 [1,0,0,1,0,0|2,0,0]=4 316 B6R1.2 N[C@H]1CNCC1 AK-80471 [1,0,0,1,0,0|2,0,0]=4 317 B6R1.2 O1CC[C@H](C1)N AK-32944 [1,0,0,1,0,0|2,0,0]=4 318 B6R1.2 OC1CNCC1 AK-53403 [1,0,0,1,0,0|1,0,0]=3 319 B6R1.2 OC1CNCC1 AK134933 [1,0,0,1,0,0|1,0,0]=3 320 B6R1.2 O[C@@H]1CCNC1 AK-32737 [1,0,0,1,0,0|1,0,0]=3 321 B6R1.2 O[C@@H]1CCOC1 AK-36591 [1,0,0,1,0,0|1,0,0]=3 322 B6R1.2 O[C@@H]1CNCC1 AK-32613 [1,0,0,1,0,0|1,0,0]=3 323 B6R1.2 O[C@@H]1CNCC1 AK-33013 [1,0,0,1,0,0|1,0,0]=3 324 B6R1.2 O[C@H]1CCOC1 AK-36590 [1,0,0,1,0,0|1,0,0]=3 325 B6R1.2 O[C@H]1CNCC1 AK-25701 [1,0,0,1,0,0|1,0,0]=3 326 B6R1.3 NCCC1CC1 AK-88169 [1,0,0,1,0,0|2,0,0]=4 327 B6R1.5 NC1CC(C)C1 AK131965 [1,0,0,1,0,0|1,0,0]=3 328 B6R1.5 O[C@H]1C[C@@H](N)C1 AK-39775 [1,0,0,1,0,0|1,0,0]=3 329 B6R1.5 O[C@H]1C[C@H](N)C1 AK-76970 [1,0,0,1,0,0|1,0,0]=3 330 B6R1.10 CC1(C)CNC1 AK139188 [1,0,0,1,0,0|2,0,0]=4 331 B6R1.10 NC1(C)CCC1 AK117597 [1,0,0,1,0,0|1,0,0]=3 332 B6R1.10 NC1(C)COC1 AK-57022 [1,0,0,1,0,0|2,0,0]=4 333 B6R1.10 OC1(C)CNC1 AK142848 [1,0,0,1,0,0|1,0,0]=3 334 B6R1.10 OC1(C)COC1 AK112914 [1,0,0,1,0,0|1,0,0]=3 335 B6R1.11 CC(N)C1CC1 AK-59911 [1,0,0,1,0,0|1,0,0]=3 336 B6R1.11 C[C@H](N)C1CC1 AK166914 [1,0,0,1,0,0|1,0,0]=3 337 B6R1.11 OB(C1CC1)O AK-25947 [1,0,0,1,0,0|2,0,0]=4 338 B6R1.1 C1CCNNC1 AK-81490 [1,0,0,1,0,0|2,0,0]=4 339 B6R1.1 C1CSCCN1 AK110355 [1,0,0,1,0,0|2,0,0]=4 340 B6R1.1 N1CCOCC1 AK116221 [1,0,0,1,0,0|2,0,0]=4 341 B6R1.1 O1CNCCC1 AK-82623 [1,0,0,1,0,0|2,0,0]=4 342 B6R1.1 O1NCCCC1 AK156568 [1,0,0,1,0,0|2,0,0]=4 343 B6R1.1 [NH2+]1CCCCC1 AK-41004 [1,0,0,1,0,0|1,0,0]=3 344 B6R1.1 [NH2+]1CCCCC1 AK-97257 [1,0,0,1,0,0|1,0,0]=3 345 B6R1.6 CNC1CCC1 AK157567 [1,0,0,1,0,0|1,0,0]=3 346 B6R1.6 CNC1CNC1 AK158168 [1,0,0,1,0,0|2,0,0]=4 347 B6R1.6 COC1CNC1 AK-30498 [1,0,0,1,0,0|2,0,0]=4 348 B6R1.6 N1CC(C1)CO AK-38948 [1,0,0,1,0,0|2,0,0]=4 349 B6R1.6 NCC1CCC1 AK-40089 [1,0,0,1,0,0|1,0,0]=3 350 B6R1.6 NCC1CNC1 AK-39033 [1,0,0,1,0,0|2,0,0]=4 351 B6R1.6 NNC1CCC1 AK-51694 [1,0,0,1,0,0|2,0,0]=4 352 B6R1.6 O1CC(C1)CN AK-41045 [1,0,0,1,0,0|2,0,0]=4 353 B6R1.6 OCC1CCO1 AK-64713 [1,0,0,1,0,0|2,0,0]=4 354 B6R1.6 OCC1COC1 AK-43870 [1,0,0,1,0,0|2,0,0]=4 355 B6R1.6 OC[C@H]1NCC1 AK-59466 [1,0,0,1,0,0|2,0,0]=4 356 B6R1.7 NCC1(C)CC1 AK159118 [1,0,0,1,0,0|2,0,0]=4 357 B6R1.7 OC1(CN)CC1 AK-77569 [1,0,0,1,0,0|1,0,0]=3 358 B6R1.7 OCC1(N)CC1 AK-32789 [1,0,0,1,0,0|2,0,0]=4 359 B8R1.1 OC[C@@H]1NC[C@H](O)C1 AK516296 [0,1,0,1,0,0|1,0,0]=3 360 B8R1.1 O[C@@H]1CO[C@H](CO)C1 AK131139 [0,1,0,1,0,0|1,0,0]=3 361 B8R1.1 O[C@H]1CN[C@H](CO)C1 AK158520 [0,1,0,1,0,0|1,0,0]=3 362 B8R1.4 CC1COCC(C)N1 AK138217 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.4 C[C@@H]1CN(C)CCN1 AK158560 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AK143124 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.4 C[C@@H]1COC[C@@H](C)N1 AK147246 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.4 C[C@H]1CN(C)CCN1 AK106695 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.4 C[C@H]1O[C@H](C)CNC1 AK-67874 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.4 NC1CCCC(C1)O AK-36106 [0,1,0,1,0,0|0,0,0]=2 369 B8R1.4 NC1CN(C)CCC1 AK-76844 [0,1,0,1,0,0|1,0,0]=3 370 B8R1.4 N[C@@H]1CN(C)CCC1 AK159101 [0,1,0,1,0,0|1,0,0]=3 371 B8R1.4 N[C@H]1CN(C)CCC1 AK153472 [0,1,0,1,0,0|1,0,0]=3 372 B8R1.4 N[C@H]1C[C@@H](N)CCC1 AK124383 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,1,0,1,0,0|0,0,2]=4 374 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,1,0,1,0,0|1,0,1]=4 375 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,1,0,1,0,0|1,0,1]=4 376 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [0,1,0,1,0,0|0,0,0]=2 377 B8R1.2 BrCC1CCCCC1 AK-34379 [0,1,0,1,0,0|1,0,0]=3 378 B8R1.2 BrCC1CCOCC1 AK-33044 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.2 C#CC1CCCNC1 AK-40565 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.2 C(C1CCOCC1)O AK-25438 [0,1,0,1,0,0|1,0,0]=3 381 B8R1.2 C1C(CCOC1)C#N AK-35140 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.2 C1C(OCCC1)ON AK-26246 [0,1,0,1,0,0|1,0,0]=3 383 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [0,1,0,1,0,0|1,0,0]=3 384 B8R1.2 CC[C@@H]1NCCOC1 AK-45140 [0,1,0,1,0,0|1,0,0]=3 385 B8R1.2 CNC1CCCNC1 AK-39351 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.2 CNC1CCNCC1 AK-81357 [0,1,0,1,0,0|2,0,0]=4 387 B8R1.2 CNC1CCOCC1 AK-29001 [0,1,0,1,0,0|2,0,0]=4 388 B8R1.2 COC1CCNCC1 AK-86244 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.2 ClCC1NCCCC1 AK-78057 [0,1,0,1,0,0|2,0,0]=4 390 B8R1.2 ICC1CCCCC1 AK126313 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.2 ICC1CCOCC1 AK-51037 [0,1,0,1,0,0|2,0,0]=4 392 B8R1.2 N#CC1CCCCC1 AK117259 [0,1,0,1,0,0|1,0,0]=3 393 B8R1.2 N#CC1CCNCC1 AK-76369 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.2 N#CC1CNCCC1 AK-84454 [0,1,0,1,0,0|2,0,0]=4 395 B8R1.2 N#CC1CNCCO1 AK-77728 [0,1,0,1,0,0|1,0,1]=4 396 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [0,1,0,1,0,0|1,0,0]=3 397 B8R1.2 NCC1CCOCC1 AK-33095 [0,1,0,1,0,0|2,0,0]=4 398 B8R1.2 NCC1OCCOC1 AK143280 [0,1,0,1,0,0|1,0,0]=3 399 B8R1.2 NC[C@@H]1OCCOC1 AK171793 [0,1,0,1,0,0|1,0,0]=3 400 B8R1.2 NC[C@H]1OCCOC1 AK171792 [0,1,0,1,0,0|1,0,0]=3 401 B8R1.2 NNC1CCCCC1 AK-51695 [0,1,0,1,0,0|1,0,0]=3 402 B8R1.2 NNC1CCOCC1 AK-40761 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.2 OCC1CCC=CC1 AK-63968 [0,1,0,1,0,0|0,0,2]=4 404 B8R1.2 OCC1CCCCC1 AK-47687 [0,1,0,1,0,0|0,0,0]=2 405 B8R1.2 OCC1CNCCC1 AK-26981 [0,1,0,1,0,0|1,0,0]=3 406 B8R1.2 OCC1CNCCO1 AK-30231 [0,1,0,1,0,0|1,0,0]=3 407 B8R1.2 OCC1NCCCC1 AK-47618 [0,1,0,1,0,0|1,0,0]=3 408 B8R1.2 OCC1NCCNC1 AK-42128 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.2 OC[C@@H]1CNCCO1 AK-37105 [0,1,0,1,0,0|1,0,0]=3 411 B8R1.2 OC[C@@H]1COCCN1 AK-54783 [0,1,0,1,0,0|2,0,0]=4 412 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [0,1,0,1,0,0|1,0,0]=3 413 B8R1.2 OC[C@@H]1NCCNC1 AK-42146 [0,1,0,1,0,0|2,0,0]=4 414 B8R1.2 OC[C@@H]1NCCOC1 AK-51349 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.2 OC[C@@H]1OCCOC1 AK157556 [0,1,0,1,0,0|1,0,0]=3 416 B8R1.2 OC[C@H]1CNCCO1 AK-28829 [0,1,0,1,0,0|1,0,0]=3 417 B8R1.2 OC[C@H]1COCCN1 AK-59902 [0,1,0,1,0,0|2,0,0]=4 418 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [0,1,0,1,0,0|1,0,0]=3 419 B8R1.2 ONC1CCCCC1 AK113259 [0,1,0,1,0,0|0,0,0]=2 420 B8R1.2 ONC1CCCCC1 AK118974 [0,1,0,1,0,0|0,0,0]=2 421 B8R1.3 C1C(CCC(C1)O)N AK-39542 [0,1,0,1,0,0|0,0,0]=2 422 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,1,0,1,0,0|0,0,2]=4 423 B8R1.3 CN1CCC(CC1)Cl AK-49095 [0,1,0,1,0,0|1,0,0]=3 424 B8R1.3 CN1CCC(N)CC1 AK-22084 [0,1,0,1,0,0|1,0,0]=3 425 B8R1.3 C[C@@H]1CO[C@@H](C)CN1 AK554540 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AK144819 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AK144820 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.3 NC1CCC(Br)CC1 AK-48715 [0,1,0,1,0,0|1,0,0]=3 429 B8R1.3 N[C@H]1CC[C@@H](C)CC1 AK139194 [0,1,0,1,0,0|1,0,0]=3 430 B8R1.3 N[C@H]1CC[C@@H](CC1)O AK-26050 [0,1,0,1,0,0|0,0,0]=2 431 B8R1.3 N[C@H]1CC[C@H](C)CC1 AK114539 [0,1,0,1,0,0|1,0,0]=3 432 B8R1.3 N[C@H]1CC[C@H](N)CC1 AK-44479 [0,1,0,1,0,0|1,0,0]=3 433 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,1,0,1,0,0|0,0,2]=4 434 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,1,0,1,0,0|1,0,1]=4 435 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,1,0,1,0,0|1,0,1]=4 436 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,1,0,1,0,0|0,0,1]=3 437 B8R1.3 OC1CCC(O)CC1 AK114734 [0,1,0,1,0,0|0,0,0]=2 438 B8R1.3 OC1CCN(C)CC1 AK-32773 [0,1,0,1,0,0|0,0,0]=2 439 B8R1.3 OC1CCN(N)CC1 AK116503 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.3 OC1OCC(O)OC1 AK-39061 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.3 O[C@H]1CC[C@@H](N)CC1 AK-48343 [0,1,0,1,0,0|0,0,0]=2 442 B8R1.3 O[C@H]1CC[C@H](N)CC1 AK-39826 [0,1,0,1,0,0|0,0,0]=2 443 B8R1.3 O[C@H]1CC[C@H](O)CC1 AK115903 [0,1,0,1,0,0|0,0,0]=2 444 B8R1.5 BrC1CCCCC1Br AK110889 [0,1,0,1,0,0|1,0,0]=3 445 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AK-40745 [0,1,0,1,0,0|0,0,0]=2 446 B8R1.5 CC1CNCCC1O AK-34735 [0,1,0,1,0,0|0,0,0]=2 447 B8R1.5 CC1CNCCC1O AK-77366 [0,1,0,1,0,0|0,0,0]=2 448 B8R1.5 CC1N(C)CCNC1 AK-27680 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.5 FC1CCCCC1=O AK-79364 [0,1,0,1,0,0|0,0,2]=4 450 B8R1.5 NC1C(F)COCC1 AK-68595 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.5 NC1CCCCC1=O AK110393 [0,1,0,1,0,0|0,0,2]=4 452 B8R1.5 N[C@@H]1CCCC[C@@H]1O AK-33975 [0,1,0,1,0,0|0,0,0]=2 453 B8R1.5 N[C@@H]1[C@@H](N)CCCC1 AK-51492 [0,1,0,1,0,0|1,0,0]=3 454 B8R1.5 N[C@@H]1[C@H](C)CCCC1 AK167720 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.5 N[C@H]1CCCC[C@H]1N AK110121 [0,1,0,1,0,0|1,0,0]=3 456 B8R1.5 N[C@H]1CCCC[C@H]1O AK-33886 [0,1,0,1,0,0|0,0,0]=2 457 B8R1.5 N[C@H]1CCCC[C@H]1O AK109572 [0,1,0,1,0,0|0,0,0]=2 458 B8R1.5 N[C@H]1[C@H](N)CCCC1 AK-49548 [0,1,0,1,0,0|1,0,0]=3 459 B8R1.5 O=C1C(C)CNCC1 AK-35717 [0,1,0,1,0,0|0,0,2]=4 460 B8R1.5 O=C1C(C)CNCC1 AK-44679 [0,1,0,1,0,0|0,0,2]=4 461 B8R1.5 O=C1NCCCC1O AK-25552 [0,1,0,1,0,0|1,0,1]=4 462 B8R1.5 OC1C(N)CCCC1 AK116055 [0,1,0,1,0,0|0,0,0]=2 463 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 AK-36258 [0,1,0,1,0,0|0,0,0]=2 464 B8R1.5 O[C@H]1COCC[C@@H]1N AK172298 [0,1,0,1,0,0|1,0,0]=3 465 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-36901 [0,1,0,1,0,0|0,0,0]=2 466 B8R1.5 O[C@H]1[C@H](N)CCCC1 AK-77710 [0,1,0,1,0,0|0,0,0]=2 467 B8R1.5 O[C@H]1[C@H](O)CCCC1 AK114228 [0,1,0,1,0,0|0,0,0]=2 468 B8R1.22 CC1NCCNCC1 AK-34218 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,1,0,1,0,0|0,0,2]=4 470 B8R1.22 N[C@H]1CNCCCC1 AK-78190 [0,1,0,1,0,0|1,0,0]=3 471 B8R1.22 O=C1OCCCCC1 AK164169 [0,1,0,1,0,0|0,0,2]=4 472 B8R1.52 CC1(CN)OCCO1 AK406240 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.52 C[N+]1(CC)CCCC1 AK-40712 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.52 NCC1(CCCC1)O AK-70915 [0,1,0,1,0,0|1,0,0]=3 475 B8R1.7 C[C@@H](N)C1CCCC1 AK332865 [0,1,0,1,0,0|1,0,0]=3 476 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [0,1,0,1,0,0|1,0,1]=4 477 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [0,1,0,1,0,0|1,0,1]=4 478 B8R1.7 OC(=O)C1CCCO1 AK-60899 [0,1,0,1,0,0|1,0,1]=4 479 B8R1.8 BrCCN1CCCC1 AK-87121 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.8 C(C1OCCO1)CBr AK-46571 [0,1,0,1,0,0|1,0,0]=3 481 B8R1.8 COC[C@H]1NCCC1 AK-81364 [0,1,0,1,0,0|1,0,0]=3 482 B8R1.8 ClCCN1CCCC1 AK-36224 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.8 N#CCC1CCCO1 AK-77313 [0,1,0,1,0,0|0,0,1]=3 484 B8R1.8 NCCC1CCCC1 AK-84118 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.8 OCC[C@H]1CNCC1 AK192539 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.11 CN1CCC[C@@H]1CO AK-46413 [0,1,0,1,0,0|1,0,0]=3 487 B8R1.11 CN1[C@H](CBr)CCC1 AK159349 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.11 C[C@H]1CNC[C@@H]1CO AK-43373 [0,1,0,1,0,0|1,0,0]=3 489 B8R1.11 NC[C@H]1N(C)CCC1 AK150867 [0,1,0,1,0,0|2,0,0]=4 490 B8R1.11 O=C1C(CC)CCC1 AK112291 [0,1,0,1,0,0|0,0,1]=3 491 B8R1.11 O=C1C(CO)CCC1 AK146211 [0,1,0,1,0,0|0,0,2]=4 492 B8R1.11 O=C1N(CC)CCC1 AK106210 [0,1,0,1,0,0|0,0,2]=4 493 B8R1.11 OCC1N(C)CCC1 AK-25839 [0,1,0,1,0,0|1,0,0]=3 494 B8R1.11 OC[C@H]1N(C)CCC1 AK-39889 [0,1,0,1,0,0|1,0,0]=3 495 B8R1.39 COC(=O)C1(O)CC1 AK-40246 [0,1,0,1,0,0|1,0,1]=4 496 B8R1.72 CC1(C)CCNCC1 AK116331 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.72 CC1(CCOCC1)O AK-31507 [0,1,0,1,0,0|1,0,0]=3 498 B8R1.72 C[N+]1(C)CCCCC1 AK163545 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.72 FC1(F)CNCCC1 AK-32194 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.72 NC1(C)CCOCC1 AK-31509 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.72 OC1(C)CCCCC1 AK161821 [0,1,0,1,0,0|0,0,0]=2 502 B8R1.72 OC1(C)CCNCC1 AK-79153 [0,1,0,1,0,0|1,0,0]=3 503 B8R1.72 OC1(O)CCNCC1 AK109336 [0,1,0,1,0,0|1,0,0]=3 504 B8R1.60 OCC1(CC)COC1 AK109093 [0,1,0,1,0,0|1,0,0]=3 505 B8R2.11 NC1C2COCC12 AK-31517 [0,0,0,2,0,0|2,0,0]=4 506 B8R2.34 C12CC(CO1)NC2 AK-64970 [0,0,0,2,0,0|1,0,0]=3 507 B8R2.34 C12NC(CC1)CC2 AK-34482 [0,0,0,2,0,0|1,0,0]=3 508 B8R2.34 [C@H]12CN[C@H](CO1)C2 AK-34642 [0,0,0,2,0,0|1,0,0]=3 509 B8R2.42 C1NCC12CCC2 AK165454 [0,0,0,2,0,0|2,0,0]=4 510 B8R2.42 C1NCC12CCC2 AK173045 [0,0,0,2,0,0|2,0,0]=4 511 B8R2.42 N1CCC12COC2 AK130517 [0,0,0,2,0,0|2,0,0]=4