0 B10R1.18 CC(=O)NC1CCNCC1 AK-51631 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.18 CC(N)CC1CCCCC1 AK-51120 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 N1CCCC(C1)CC(=O)O AK-39922 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.18 O1CCN(CC1)CC(=O)O AK-30449 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 O=C(O)CC1=CCCCC1 AK-33815 [0,0,0,0,0,0|0,0,2]=2 5 B10R1.18 O=C(O)CC1CCCCC1 AK-41373 [0,0,0,0,0,0|0,0,0]=0 6 B10R1.18 O=C(O)CC1CCNCC1 AK-35393 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.18 O=C(O)CC1CCOCC1 AK-44841 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.18 O=C(O)CC1NCCOC1 AK-65808 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 O=C(O)CC1OCCOC1 AK141848 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.18 O=C(O)CN1CCOCC1 AK-50223 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.18 O=C(O)C[C@@H]1CNCCO1 AK146348 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.18 O=C(O)C[C@H]1CNCCO1 AK142872 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.18 OB(CC1CCCCC1)O AK-85394 [0,0,0,0,0,0|1,0,1]=2 14 B9R1.8 BrCCN1CCCCC1 AK110576 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 C(CN1CCNCC1)O AK-47366 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 C1CCN[C@H](C1)CCO AK-39809 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.8 CCCC1CCNCC1 AK135014 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 CCC[C@@H]1NCCCC1 AK608023 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 COCC1CCNCC1 AK-39216 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 COCC1NCCCC1 AK153936 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 N#CCC1CCCCC1 AK144830 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.8 N#CCC1CCOCC1 AK-50173 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 NCCC1CCCCC1 AK-25118 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.8 NCCC1CCOCC1 AK-84660 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 NCCN1CCCCC1 AK-45168 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 NCCN1CCCCC1 AK-93384 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 OCCC1NCCNC1 AK-45810 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 OCCN1CCOCC1 AK-72501 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.8 OCC[C@@H]1NCCCC1 AK-97234 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.8 OCC[C@@H]1NCCCC1 AK164123 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.8 OCC[C@@H]1NCCNC1 AK102263 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 OCC[C@H]1NCCCC1 AK-41773 [1,0,0,0,0,0|1,0,1]=3 33 B9R1.8 OCC[C@H]1NCCNC1 AK102262 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.20 C(N1CCN(C)CC1)C(=O)O AK-29379 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.20 CC(=O)NC1CCC(O)CC1 AK109437 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.20 CC(OC1CCC(CC1)=O)=O AK112287 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.20 N[C@H]1CC[C@H](CC(O)=O)CC1 AK110004 [0,1,0,0,0,0|0,0,0]=1 38 B11R1.20 O=C(O)CC1CCC(O)CC1 AK141945 [0,1,0,0,0,0|0,0,0]=1 39 B11R1.20 O=C1CCC(CC1)NC(C)=O AK-23921 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.36 CC(C1CCCCC1)C(O)=O AK125718 [0,1,0,0,0,0|0,0,0]=1 41 B11R1.36 O=C(O)C(N)C1CCCCC1 AK-42709 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.36 O=C(O)C(N)C1CCOCC1 AK-72641 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.36 O=C(O)[C@@H](N)C1CCCCC1 AK-46700 [0,1,0,0,0,0|0,0,0]=1 44 B11R1.36 O=C(O)[C@@H](N)C1CCCCC1 AK162697 [0,1,0,0,0,0|0,0,0]=1 45 B11R1.36 O=C(O)[C@@H](N)C1CCOCC1 AK-36446 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.36 O=C(O)[C@H](N)C1CCCCC1 AK-76429 [0,1,0,0,0,0|0,0,0]=1 47 B11R1.36 O=C(O)[C@H](N)C1CCOCC1 AK-44436 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.36 [C@@H](N)(C1CCCCC1)C(O)=O AK-87852 [0,1,0,0,0,0|0,0,0]=1 49 B11R1.40 COC(=O)CC1CCOCC1 AK-76203 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.40 O=C(OC)CC1CCNCC1 AK-44290 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.40 O=C(OC)C[C@@H]1NCCOC1 AK165141 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.40 OC[C@@H](N)CC1CCCCC1 AK-57591 [0,1,0,0,0,0|1,0,1]=3 53 B11R1.86 O=C1CNCCN1CC(=O)O AK-23654 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.928 O=C(O)CC1(N)CCCCC1 AK-39323 [0,1,0,0,0,0|0,0,0]=1 55 B9R0.2 C=CCCCCCC(O)=O AK164507 [0,0,1,0,0,0|0,0,2]=3 56 B9R0.2 CCCCCCCB(O)O AK145619 [0,0,1,0,0,0|1,0,1]=3 57 B9R0.2 O=C(O)CCCCCCN AK-47536 [0,0,1,0,0,0|1,0,0]=2 58 B9R0.2 OC(=O)CCCCCCBr AK-28585 [0,0,1,0,0,0|1,0,0]=2 59 B9R0.2 OCCCCCCC(O)=O AK-29232 [0,0,1,0,0,0|1,0,0]=2 60 B9R0.4 O=C(O)C[C@@H](N)CCSC AK486956 [0,0,1,0,0,0|2,0,0]=3 61 B11R2.10 S=C1NC2C(CCCC2)N1 AK-77775 [0,0,0,1,0,0|2,1,0]=4 62 B11R2.703 O=C1CC2(CCNCC2)C1 AK-51052 [0,0,0,1,0,0|2,0,0]=3 63 B11R2.703 O=C1NC2(CCNCC2)C1 AK123212 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.6 CC(=O)N1CCOCC1 AK-59803 [0,0,0,0,1,0|3,0,0]=4 65 B9R1.6 CC(C1CCCCC1)=O AK110444 [0,0,0,0,1,0|1,0,0]=2 66 B9R1.6 CC(C1CCNCC1)=O AK-76366 [0,0,0,0,1,0|2,0,0]=3 67 B9R1.6 CC(C1CCOCC1)=O AK-58675 [0,0,0,0,1,0|2,0,0]=3 68 B9R1.6 CC(O)C1CCOCC1 AK600722 [0,0,0,0,1,0|2,0,1]=4 69 B9R1.6 N1CCCC[C@H]1C(=O)O AK-51322 [0,0,0,0,1,0|1,0,0]=2 70 B9R1.6 N1CCNC[C@@H]1C(=O)O AK-46417 [0,0,0,0,1,0|2,0,0]=3 71 B9R1.6 N1CCNC[C@H]1C(=O)O AK-33494 [0,0,0,0,1,0|2,0,0]=3 72 B9R1.6 O1CCC(CC1)C(=O)O AK-23928 [0,0,0,0,1,0|1,0,0]=2 73 B9R1.6 O=C(C1=CCCCO1)O AK-78816 [0,0,0,0,1,0|1,0,2]=4 74 B9R1.6 O=C(C1CCCCC1)O AK-73017 [0,0,0,0,1,0|0,0,0]=1 75 B9R1.6 O=C(C1CCNCC1)N AK-25908 [0,0,0,0,1,0|2,0,0]=3 76 B9R1.6 O=C(C1CCNCC1)N AK-65946 [0,0,0,0,1,0|2,0,0]=3 77 B9R1.6 O=C(C1CCNCC1)O AK-47605 [0,0,0,0,1,0|1,0,0]=2 78 B9R1.6 O=C(C1CCOCC1)N AK-90382 [0,0,0,0,1,0|2,0,0]=3 79 B9R1.6 O=C(C1CNCCC1)N AK-44355 [0,0,0,0,1,0|2,0,0]=3 80 B9R1.6 O=C(C1CNCCC1)O AK-35333 [0,0,0,0,1,0|1,0,0]=2 81 B9R1.6 O=C(C1CNCCN1)O AK-44180 [0,0,0,0,1,0|2,0,0]=3 82 B9R1.6 O=C(C1COCCC1)O AK-65298 [0,0,0,0,1,0|1,0,0]=2 83 B9R1.6 O=C(C1NCCCC1)N AK-50709 [0,0,0,0,1,0|2,0,0]=3 84 B9R1.6 O=C(C1NCCCC1)O AK-35539 [0,0,0,0,1,0|1,0,0]=2 85 B9R1.6 O=C(C1NCCCC1)O AK126108 [0,0,0,0,1,0|1,0,0]=2 86 B9R1.6 O=C(C1NCCNC1)O AK-34591 [0,0,0,0,1,0|2,0,0]=3 87 B9R1.6 O=C(C1NCCOC1)O AK-53947 [0,0,0,0,1,0|2,0,0]=3 88 B9R1.6 O=C(C1SCCCN1)O AK164034 [0,0,0,0,1,0|2,0,0]=3 89 B9R1.6 O=C(N1CCNCC1)C AK-44435 [0,0,0,0,1,0|3,0,0]=4 90 B9R1.6 O=C(N1CCNCC1)N AK187919 [0,0,0,0,1,0|3,0,0]=4 91 B9R1.6 O=C([C@@H]1CC=CCC1)O AK130960 [0,0,0,0,1,0|0,0,2]=3 92 B9R1.6 O=C([C@@H]1CNCCC1)O AK-37130 [0,0,0,0,1,0|1,0,0]=2 93 B9R1.6 O=C([C@@H]1CNCCO1)O AK142739 [0,0,0,0,1,0|2,0,0]=3 94 B9R1.6 O=C([C@@H]1NCCCC1)O AK-44408 [0,0,0,0,1,0|1,0,0]=2 95 B9R1.6 O=C([C@@H]1NCCOC1)O AK162039 [0,0,0,0,1,0|2,0,0]=3 96 B9R1.6 O=C([C@@H]1OCCOC1)O AK550289 [0,0,0,0,1,0|2,0,0]=3 97 B9R1.6 O=C([C@H]1CC=CCC1)O AK-77496 [0,0,0,0,1,0|0,0,2]=3 98 B9R1.6 O=C([C@H]1CNCCC1)O AK-36729 [0,0,0,0,1,0|1,0,0]=2 99 B9R1.6 O=C([C@H]1CNCCN1)N AK174403 [0,0,0,0,1,0|3,0,0]=4 100 B9R1.6 O=C([C@H]1CNCCO1)O AK143268 [0,0,0,0,1,0|2,0,0]=3 101 B9R1.6 O=C([C@H]1NCCCC1)O AK-44409 [0,0,0,0,1,0|1,0,0]=2 102 B9R1.6 O=C([C@H]1NCCNC1)N AK174402 [0,0,0,0,1,0|3,0,0]=4 103 B9R1.6 O=C([C@H]1NCCOC1)O AK-32781 [0,0,0,0,1,0|2,0,0]=3 104 B9R1.6 O=C([C@H]1NCCOC1)O AK109013 [0,0,0,0,1,0|2,0,0]=3 105 B9R1.6 O=C([C@H]1OCCOC1)O AK167731 [0,0,0,0,1,0|2,0,0]=3 106 B9R1.6 OB(O)C1CCCCC1 AK-44451 [0,0,0,0,1,0|1,0,1]=3 107 B9R1.6 OC(=O)C1=CCCCC1 AK-48425 [0,0,0,0,1,0|0,0,2]=3 108 B9R1.6 OC(=O)C1CCC=CC1 AK-33140 [0,0,0,0,1,0|0,0,2]=3 109 B9R1.13 CC(N[C@@H]1CNCC1)=O AK-87500 [0,0,0,0,1,0|3,0,0]=4 110 B9R1.13 CC(N[C@H]1CNCC1)=O AK-57730 [0,0,0,0,1,0|3,0,0]=4 111 B9R1.13 O1CCC(C1)CC(=O)O AK-37736 [0,0,0,0,1,0|1,0,0]=2 112 B9R1.13 O=C(O)CC1CCCC1 AK-44360 [0,0,0,0,1,0|0,0,0]=1 113 B9R1.13 O=C(O)C[C@@H]1NCCC1 AK-80502 [0,0,0,0,1,0|1,0,0]=2 114 B9R1.13 O=C(O)C[C@H]1NCCC1 AK-80500 [0,0,0,0,1,0|1,0,0]=2 115 B9R1.13 OC(=O)CN1CCCC1 AK109942 [0,0,0,0,1,0|1,0,0]=2 116 B9R1.13 [C@@H]1(CC(O)=O)CCCN1 AK-68480 [0,0,0,0,1,0|1,0,0]=2 117 B11R1.91 O=C(O)CCC1CCCCC1 AK116675 [0,0,0,0,0,1|0,0,0]=1 118 B11R1.91 O=C(O)CCN1CCCCC1 AK-34442 [0,0,0,0,0,1|1,0,0]=2 119 B11R1.91 O=C(O)CCN1CCOCC1 AK-32581 [0,0,0,0,0,1|2,0,0]=3 120 B11R1.91 O=C(O)\C=C\C1CCCCC1 AK-79295 [0,0,0,0,0,1|0,0,1]=2 121 B11R1.91 O=C([O-])CCN1CCOCC1 AK159085 [0,0,0,0,0,1|2,0,1]=4 122 B8R0.4 C(CCCCO)CCBr AK-41195 [1,0,1,0,0,0|1,0,1]=4 123 B8R0.4 C=CCCCCCCCl AK164503 [1,0,1,0,0,0|2,0,0]=4 124 B8R0.4 OCCCCCCCO AK-44723 [1,0,1,0,0,0|1,0,1]=4 125 B8R0.7 C#CCCCCC(O)=O AK-40047 [1,0,1,0,0,0|0,0,2]=4 126 B8R0.7 CC(O)CCCCCC AK113715 [1,0,1,0,0,0|1,0,1]=4 127 B8R0.7 C[C@@H](O)CCCCCC AK115983 [1,0,1,0,0,0|1,0,1]=4 128 B8R0.7 O=C(O)CCCCCBr AK-35122 [1,0,1,0,0,0|1,0,0]=3 129 B8R0.7 O=C(O)CCCCCN AK144762 [1,0,1,0,0,0|1,0,0]=3 130 B8R0.7 O=C(O)CCCCCO AK-41893 [1,0,1,0,0,0|1,0,0]=3 131 B8R0.7 O=C(O)COCCOC AK-33517 [1,0,1,0,0,0|2,0,0]=4 132 B8R0.7 O=C([O-])CCCCCO AK142914 [1,0,1,0,0,0|1,0,1]=4 133 B8R0.7 OC(=O)CCCCCCl AK-48239 [1,0,1,0,0,0|1,0,0]=3 134 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [1,0,1,0,0,0|1,0,0]=3 135 B8R1.2 BrCC1CCCCC1 AK-34379 [2,0,0,0,0,0|1,0,0]=3 136 B8R1.2 BrCC1CCOCC1 AK-33044 [2,0,0,0,0,0|2,0,0]=4 137 B8R1.2 C(C1CCOCC1)O AK-25438 [2,0,0,0,0,0|1,0,0]=3 138 B8R1.2 CC[C@@H]1NCCCC1 AK165909 [2,0,0,0,0,0|1,0,1]=4 139 B8R1.2 ClCC1NCCCC1 AK-78057 [2,0,0,0,0,0|2,0,0]=4 140 B8R1.2 ICC1CCCCC1 AK126313 [2,0,0,0,0,0|1,0,0]=3 141 B8R1.2 ICC1CCOCC1 AK-51037 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.2 N#CC1CCCCC1 AK117259 [2,0,0,0,0,0|1,0,1]=4 143 B8R1.2 N1CCC[C@@H](C1)CO AK-29863 [2,0,0,0,0,0|1,0,0]=3 144 B8R1.2 NCC1CCOCC1 AK-33095 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.2 NNC1CCCCC1 AK-51695 [2,0,0,0,0,0|2,0,0]=4 146 B8R1.2 O=CN1CCOCC1 AK-47431 [2,0,0,0,0,0|2,0,0]=4 147 B8R1.2 OCC1CCC=CC1 AK-63968 [2,0,0,0,0,0|0,0,2]=4 148 B8R1.2 OCC1CCCCC1 AK-47687 [2,0,0,0,0,0|0,0,0]=2 149 B8R1.2 OCC1CNCCC1 AK-26981 [2,0,0,0,0,0|1,0,0]=3 150 B8R1.2 OCC1CNCCO1 AK-30231 [2,0,0,0,0,0|2,0,0]=4 151 B8R1.2 OCC1NCCCC1 AK-47618 [2,0,0,0,0,0|1,0,0]=3 152 B8R1.2 OCC1NCCNC1 AK-42128 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.2 OC[C@@H]1CNCCC1 AK-87595 [2,0,0,0,0,0|1,0,0]=3 154 B8R1.2 OC[C@@H]1CNCCO1 AK-37105 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.2 OC[C@@H]1COCCN1 AK-54783 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.2 OC[C@@H]1NCCCC1 AK-78328 [2,0,0,0,0,0|1,0,0]=3 157 B8R1.2 OC[C@@H]1NCCNC1 AK-42146 [2,0,0,0,0,0|2,0,0]=4 158 B8R1.2 OC[C@@H]1NCCOC1 AK-51349 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.2 OC[C@@H]1OCCOC1 AK157556 [2,0,0,0,0,0|2,0,0]=4 160 B8R1.2 OC[C@H]1CNCCO1 AK-28829 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.2 OC[C@H]1COCCN1 AK-59902 [2,0,0,0,0,0|2,0,0]=4 162 B8R1.2 OC[C@H]1NCCCC1 AK-78327 [2,0,0,0,0,0|1,0,0]=3 163 B8R1.2 ONC1CCCCC1 AK113259 [2,0,0,0,0,0|1,0,0]=3 164 B8R1.2 ONC1CCCCC1 AK118974 [2,0,0,0,0,0|1,0,0]=3 165 B10R0.3 O=C(O)CCCC(OCC)=O AK486985 [0,1,1,0,0,0|1,0,1]=4 166 B10R0.4 CCCCCCCCB(O)O AK-84208 [0,1,1,0,0,0|1,0,1]=4 167 B10R0.4 O=C(O)CCCCCCCBr AK-33752 [0,1,1,0,0,0|0,0,0]=2 168 B10R0.4 O=C(O)CCCCCCCN AK-45259 [0,1,1,0,0,0|0,0,0]=2 169 B10R0.4 O=C(O)COCCOCCN AK-33158 [0,1,1,0,0,0|2,0,0]=4 170 B10R0.4 O=C(O)COCCOCCN AK-90200 [0,1,1,0,0,0|2,0,0]=4 171 B10R0.22 CCCCCCCS(=O)([O-])=O AK-86033 [0,1,1,0,0,0|1,0,1]=4 172 B10R0.55 C(C(OC)=O)CCCC(O)=O AK-46610 [0,1,1,0,0,0|1,0,1]=4 173 B10R0.74 CCCCCCCC(NN)=O AK117029 [0,1,1,0,0,0|1,0,0]=3 174 B10R0.74 CCCCCCCC(NO)=O AK-43792 [0,1,1,0,0,0|0,0,0]=2 175 B10R0.74 COC(CCCCCCBr)=O AK-29360 [0,1,1,0,0,0|1,0,0]=3 176 B10R0.74 O=C(OC)CCCCCCN AK-61182 [0,1,1,0,0,0|1,0,0]=3 177 B10R0.75 CCCCCCC(N)C(O)=O AK-87750 [0,1,1,0,0,0|0,0,0]=2 178 B10R0.75 CCCCCC[C@H](N)C(O)=O AK-87751 [0,1,1,0,0,0|0,0,0]=2 179 B10R0.75 O=C(O)[C@@H](N)CSCCCO AK-39669 [0,1,1,0,0,0|2,0,0]=4 180 B10R0.78 CCCCC(C)CCC(O)=O AK164469 [0,1,1,0,0,0|0,0,0]=2 181 B10R0.97 C(C(O)=O)CCCCC(O)=O AK-47619 [0,1,1,0,0,0|1,0,1]=4 182 B10R0.18 CCCCC(CC(OC)=O)=O AK105368 [0,1,1,0,0,0|1,0,1]=4 183 B10R0.79 OCCN(CCO)CC(O)=O AK-43217 [0,1,1,0,0,0|2,0,0]=4 184 B10R1.1 NC1CCC(CCO)CC1 AK-68022 [1,1,0,0,0,0|0,0,1]=3 185 B10R1.15 CC[C@@H](C1CCCCC1)N AK544253 [1,1,0,0,0,0|1,0,1]=4 186 B10R1.15 N[C@@H](C1CCCCC1)CO AK103603 [1,1,0,0,0,0|0,0,1]=3 187 B10R1.13 CC(N1CCC(N)CC1)=O AK109930 [0,1,0,0,1,0|2,0,0]=4 188 B10R1.13 CN1CCC(CC1)C(N)=O AK101095 [0,1,0,0,1,0|2,0,0]=4 189 B10R1.13 CN1CCC(CC1)C(O)=O AK-48466 [0,1,0,0,1,0|1,0,0]=3 190 B10R1.13 C[C@H]1CC[C@@H](CC1)C(O)=O AK-45247 [0,1,0,0,1,0|0,0,0]=2 191 B10R1.13 NC(=O)C1CCC(=O)CC1 AK-89999 [0,1,0,0,1,0|1,0,1]=4 192 B10R1.13 N[C@H]1CC[C@@H](CC1)C(O)=O AK-29230 [0,1,0,0,1,0|0,0,0]=2 193 B10R1.13 N[C@H]1CC[C@H](CC1)C(O)=O AK-41665 [0,1,0,0,1,0|0,0,0]=2 194 B10R1.13 O=C(C1CCC(C)CC1)O AK164489 [0,1,0,0,1,0|0,0,0]=2 195 B10R1.13 O=C(C1CCC(CC1)=O)O AK107691 [0,1,0,0,1,0|0,0,1]=3 196 B10R1.13 O=C(C1CCN(C)CC1)O AK-47579 [0,1,0,0,1,0|1,0,0]=3 197 B10R1.13 O=C([C@H]1CC[C@@H](O)CC1)O AK-64579 [0,1,0,0,1,0|0,0,0]=2 198 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O AK-40159 [0,1,0,0,1,0|0,0,0]=2 199 B10R1.13 O=C([C@H]1CC[C@H](O)CC1)O AK116045 [0,1,0,0,1,0|0,0,0]=2 200 B10R1.13 O=C([C@H]1NC[C@@H](O)CC1)O AK172058 [0,1,0,0,1,0|1,0,0]=3 201 B10R1.13 O=C([C@H]1NC[C@@H](O)CC1)O AK172374 [0,1,0,0,1,0|1,0,0]=3 202 B10R1.13 OC1CCC(CC1)C(O)=O AK-64210 [0,1,0,0,1,0|0,0,0]=2 203 B10R1.28 O=S(C1CCCCC1)(N)=O AK198665 [0,1,0,0,1,0|1,0,1]=4 204 B10R1.61 O=C(C1C(C)NCCC1)O AK155118 [0,1,0,0,1,0|1,0,0]=3 205 B10R1.61 O=C(C1N(C)CCCC1)O AK-34361 [0,1,0,0,1,0|1,0,0]=3 206 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK-80986 [0,1,0,0,1,0|1,0,0]=3 207 B10R1.61 O=C([C@@H]1N(C)CCCC1)O AK210035 [0,1,0,0,1,0|1,0,0]=3 208 B10R1.61 O=C([C@H]1N(C)CCCC1)O AK151825 [0,1,0,0,1,0|1,0,0]=3 209 B10R1.61 O=C([C@H]1NCCO[C@@H]1C)O AK157073 [0,1,0,0,1,0|2,0,0]=4 210 B10R1.61 OC1CCCCC1C(=O)O AK-35836 [0,1,0,0,1,0|0,0,0]=2 211 B10R1.113 CN1CCCC(C1)C(O)=O AK-96687 [0,1,0,0,1,0|1,0,0]=3 212 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AK-40828 [0,1,0,0,1,0|1,0,0]=3 213 B10R1.113 N[C@H]1CCC[C@H](C1)C(O)=O AK-59924 [0,1,0,0,1,0|0,0,0]=2 214 B10R1.113 O=C(C1CC(NCC1)=O)O AK-51685 [0,1,0,0,1,0|1,0,1]=4 215 B10R1.113 O=C(C1NC(C)CCC1)O AK-50292 [0,1,0,0,1,0|1,0,0]=3 216 B10R1.113 O=C([C@@H]1C[C@H](N)CCC1)O AK171951 [0,1,0,0,1,0|0,0,0]=2 217 B10R1.113 O=C([C@@H]1NCC[C@@H](O)C1)O AK552057 [0,1,0,0,1,0|1,0,0]=3 218 B10R1.113 O=C([C@H]1C[C@@H](N)CCC1)O AK171952 [0,1,0,0,1,0|0,0,0]=2 219 B10R1.113 O=C1N[C@H]([C@@](O)=O)CCC1 AK-44820 [0,1,0,0,1,0|1,0,1]=4 220 B10R1.113 OC(=O)C1CCCC(=O)C1 AK-64002 [0,1,0,0,1,0|0,0,1]=3 221 B10R1.363 CC1(CCOCC1)C(O)=O AK-64987 [0,1,0,0,1,0|1,0,0]=3 222 B10R1.363 O=C(C1(C)CCNCC1)O AK-83641 [0,1,0,0,1,0|1,0,0]=3 223 B10R1.363 O=C(C1(N)CCOCC1)O AK-43291 [0,1,0,0,1,0|1,0,0]=3 224 B10R1.23 O=C(O)C(N)C1CCCC1 AK-88092 [0,1,0,0,1,0|0,0,0]=2 225 B10R1.23 O=C(O)[C@@H](N)C1CCCC1 AK-24337 [0,1,0,0,1,0|0,0,0]=2 226 B10R1.23 O=C(O)[C@H](N)C1CCCC1 AK-87854 [0,1,0,0,1,0|0,0,0]=2 227 B10R1.27 O=C(OC)C[C@@H]1NCCC1 AK144146 [0,1,0,0,1,0|1,0,0]=3 228 B10R1.27 O=C(OC)C[C@H]1NCCC1 AK-86767 [0,1,0,0,1,0|1,0,0]=3 229 B10R1.64 O=C1CCCN1CC(=O)O AK-35555 [0,1,0,0,1,0|1,0,1]=4 230 B12R1.43 C[C@H](NC1CCCCC1)C(O)=O AK-78569 [0,1,0,0,0,1|0,0,0]=2 231 B12R1.43 N[C@@H](CC1CCCCC1)C(O)=O AK392146 [0,1,0,0,0,1|0,0,0]=2 232 B12R1.43 O=C(O)C(N)CC1CCOCC1 AK318576 [0,1,0,0,0,1|1,0,0]=3 233 B12R1.43 O=C(O)[C@@H](N)CC1CCCCC1 AK-34483 [0,1,0,0,0,1|0,0,0]=2 234 B12R1.43 O=C(O)[C@H](N)CC1CCCCC1 AK-54333 [0,1,0,0,0,1|0,0,0]=2 235 B12R1.49 O=C(OC)CC1CCC(CC1)=O AK-44997 [0,2,0,0,0,0|0,0,1]=3 236 B12R1.49 O=C(OC)CC1CCN(C)CC1 AK159698 [0,2,0,0,0,0|1,0,0]=3 237 B12R1.1819 O=C(O)CC1CCC(F)(F)CC1 AK115963 [0,2,0,0,0,0|0,0,0]=2 238 B12R1.34 O=C(OC)C(C1CCCCC1)=O AK155938 [0,2,0,0,0,0|0,0,1]=3 239 B12R1.34 O=C(OC)C(N)C1CCOCC1 AK163405 [0,2,0,0,0,0|1,0,0]=3 240 B12R1.34 O=C(OC)[C@@H](N)C1CCCCC1 AK-41805 [0,2,0,0,0,0|0,0,0]=2 241 B12R1.32 O=C(OCC)CC1CCNCC1 AK-62757 [0,2,0,0,0,0|1,0,0]=3 242 B12R1.32 O=C(OCC)CC1CCOCC1 AK-45451 [0,2,0,0,0,0|1,0,0]=3 243 B12R1.32 O=C(OCC)CC1CNCCC1 AK-62785 [0,2,0,0,0,0|1,0,0]=3 244 B10R1.66 O=C(O)CCC1CCCC1 AK-45246 [0,0,1,1,0,0|0,0,0]=2 245 B10R1.66 O=C(O)CCC1OCCO1 AK122521 [0,0,1,1,0,0|2,0,0]=4 246 B10R1.66 O=C(O)CCN1CCCC1 AK118044 [0,0,1,1,0,0|1,0,0]=3 247 B10R1.348 O=C(C1CCCCCC1)N AK173577 [0,0,1,1,0,0|1,0,0]=3 248 B10R1.348 O=C(O)C1CCCCCC1 AK-25427 [0,0,1,1,0,0|0,0,0]=2 249 B10R2.7 C1NCC2C1CCCC2 AK-46514 [1,0,0,1,0,0|2,0,0]=4 250 B10R2.7 [C@@H]12CNC[C@@H]1CCCC2 AK-50701 [1,0,0,1,0,0|2,0,0]=4 251 B10R2.62 O=C1C2CCC(CC2)C1 AK144709 [1,0,0,1,0,0|0,0,0]=2 252 B10R2.62 O=C1CN2CCC1CC2 AK-32961 [1,0,0,1,0,0|1,0,0]=3 253 B10R2.62 OC1C2CCC(CC2)C1 AK162852 [1,0,0,1,0,0|0,0,1]=3 254 B10R2.62 O[C@@H]1CN2CCC1CC2 AK-50721 [1,0,0,1,0,0|1,0,1]=4 255 B10R2.484 O1CCC12CCNCC2 AK155877 [1,0,0,1,0,0|1,0,1]=4 256 B10R2.484 O1CCC12CNCCC2 AK144701 [1,0,0,1,0,0|1,0,1]=4 257 B10R2.351 C12C(C1COC2)C(=O)O AK-31514 [0,0,0,1,1,0|1,0,0]=3 258 B10R2.71 O=C1CC2CC(CC2)C1 AK165360 [0,0,0,1,1,0|1,0,0]=3 259 B10R2.71 O=C1CC2NC(CC2)C1 AK-44611 [0,0,0,1,1,0|2,0,0]=4 260 B12R2.24 O=C1CCC2CCCCC2O1 AK554624 [0,0,0,1,0,1|0,0,0]=2 261 B12R2.1392 CC(C1C2CCC(CC2)C1)=O AK162851 [0,0,0,1,0,1|1,0,0]=3 262 B12R2.2918 O1C2(CCC1=O)CCNCC2 AK-27969 [0,0,0,1,0,1|1,0,0]=3 263 B12R2.2918 O=C1CC2(CN1)CCCNC2 AK103687 [0,0,0,1,0,1|2,0,0]=4 264 B12R2.2918 O=C1COC2(CCNCC2)C1 AK128846 [0,0,0,1,0,1|2,0,0]=4 265 B12R2.2918 O=C1NCC2(CCCCC2)C1 AK-86397 [0,0,0,1,0,1|1,0,0]=3 266 B12R2.2918 O=C1NCC2(CCNCC2)C1 AK-64614 [0,0,0,1,0,1|2,0,0]=4 267 B12R2.1661 O=C(O)CN1C2CC(CC2)C1 AK-97138 [0,1,0,1,0,0|1,0,0]=3 268 B8R0.8 CCCC[C@@H](N)C(O)=O AK-76426 [0,0,1,0,1,0|1,0,0]=3 269 B8R0.8 CCCC[C@H](N)C(N)=O AK170163 [0,0,1,0,1,0|2,0,0]=4 270 B8R0.8 NC(CCSC)C(O)=O AK-81252 [0,0,1,0,1,0|2,0,0]=4 271 B8R0.8 N[C@@H](CCCC)C(O)=O AK-49687 [0,0,1,0,1,0|1,0,0]=3 272 B8R0.8 N[C@@H](CCCN)C(O)=O AK-46743 [0,0,1,0,1,0|2,0,0]=4 273 B8R0.8 O=C(O)[C@@H](N)CCCN AK-44096 [0,0,1,0,1,0|2,0,0]=4 274 B8R0.8 O=C(O)[C@@H](N)CCSC AK-73057 [0,0,1,0,1,0|2,0,0]=4 275 B8R0.8 O=C(O)[C@@H](N)CC[Se]C AK-81303 [0,0,1,0,1,0|2,0,0]=4 276 B8R1.8 NCCC1CCCC1 AK-84118 [1,0,0,0,1,0|1,0,1]=4 277 B8R1.8 OCC[C@H]1CNCC1 AK192539 [1,0,0,0,1,0|1,0,1]=4 278 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [0,0,0,0,2,0|1,0,0]=3 279 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [0,0,0,0,2,0|1,0,0]=3 280 B8R1.7 O=C(C1=CCCC1)O AK-33463 [0,0,0,0,2,0|0,0,2]=4 281 B8R1.7 O=C(C1CC=CC1)O AK-36334 [0,0,0,0,2,0|0,0,2]=4 282 B8R1.7 O=C(C1CCCC1)O AK-39169 [0,0,0,0,2,0|0,0,0]=2 283 B8R1.7 O=C(C1COCC1)O AK-44786 [0,0,0,0,2,0|1,0,0]=3 284 B8R1.7 O=C(C1NCCC1)N AK-65799 [0,0,0,0,2,0|2,0,0]=4 285 B8R1.7 O=C(C1NCOC1)O AK118758 [0,0,0,0,2,0|2,0,0]=4 286 B8R1.7 O=C(C1SCCN1)O AK-50392 [0,0,0,0,2,0|2,0,0]=4 287 B8R1.7 O=C(N)[C@H]1NCCC1 AK-46342 [0,0,0,0,2,0|2,0,0]=4 288 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [0,0,0,0,2,0|1,0,0]=3 289 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [0,0,0,0,2,0|1,0,0]=3 290 B8R1.7 O=C([C@H]1COCC1)O AK-30108 [0,0,0,0,2,0|1,0,0]=3 291 B8R1.7 O=C([C@H]1NCSC1)O AK-77692 [0,0,0,0,2,0|2,0,0]=4 292 B8R1.7 O=[C@@]([C@@H]1CNCC1)O AK-74153 [0,0,0,0,2,0|1,0,0]=3 293 B8R1.7 OB(C1CCCC1)O AK-61891 [0,0,0,0,2,0|1,0,1]=4 294 B8R1.7 OC(=O)C1CCCN1 AK-54077 [0,0,0,0,2,0|1,0,0]=3 295 B8R1.7 OC(=O)C1CCCO1 AK-60899 [0,0,0,0,2,0|1,0,0]=3 296 B8R1.7 OC(=O)[C@@H]1CCNC1 AK-29667 [0,0,0,0,2,0|1,0,0]=3 297 B8R1.7 OC(=O)[C@H]1CCNC1 AK-73148 [0,0,0,0,2,0|1,0,0]=3 298 B8R1.7 OC(=O)[C@H]1CSCN1 AK-78160 [0,0,0,0,2,0|2,0,0]=4 299 B8R1.34 O=C(O)CC1CCC1 AK-76669 [0,0,0,0,2,0|0,0,0]=2 300 B12R1.252 O=C(O)CCCC1CCNCC1 AK-51221 [0,0,0,0,0,2|1,0,0]=3 301 B12R1.252 O=C(O)\C=C\CN1CCCCC1 AK543079 [0,0,0,0,0,2|1,0,0]=3