0 B14R3.19311 O=C1CCC2C1C3CCC(=O)C23 Amb24570470 [0,0,0,0,0,0|0,0,0]=0 1 B13R3.2532 ClC1CCC2C3CCCC3C12 Amb27793394 [1,0,0,0,0,0|1,0,2]=4 2 B13R3.2532 O=C1CCC2C1[C@@H]3C=CC[C@H]23 Amb27854929 [1,0,0,0,0,0|0,0,3]=4 3 B13R3.2532 O=C1CCC2C1[C@@H]3CC=C[C@H]23 Amb28131951 [1,0,0,0,0,0|0,0,1]=2 4 B13R3.2532 O=C1CCC2C3CCCC3C12 Amb27861203 [1,0,0,0,0,0|0,0,1]=2 5 B13R3.2532 O=C1CC[C@@H]2[C@H]3OCC[C@H]3[C@H]12 Amb32684588 [1,0,0,0,0,0|1,0,0]=2 6 B15R3.193192 C=C1CC[C@H]2[C@@H]3[C@H](O)CC[C@]3(C)[C@@H]12 Amb27197490 [0,1,0,0,0,0|1,0,2]=4 7 B13R2.144 CC1CCC(C2CCCC2=O)C1 Amb27227110 [0,0,1,0,0,0|1,0,1]=3 8 B13R2.144 O=C1CCCC1N2CCC(F)C2 Amb30022038 [0,0,1,0,0,0|2,0,1]=4 9 B13R2.144 O=C1CCCC1N2CCC(O)C2 Amb18789010 [0,0,1,0,0,0|1,0,2]=4 10 B13R2.144 O=C1CCN(C2CCCC2O)C1 Amb27629598 [0,0,1,0,0,0|1,0,2]=4 11 B13R2.144 O=C1CC\C(=C2\CCCC2=O)O1 Amb27177905 [0,0,1,0,0,0|1,0,2]=4 12 B13R2.513 O=C1CCC2CC(CCCO)C12 Amb27177903 [0,0,1,0,0,0|0,0,2]=3 13 B13R2.1156 COC(=O)C1=C[C@@H]2C(=O)CC[C@H]12 Amb27427689 [0,0,1,0,0,0|1,0,2]=4 14 B13R2.1156 COC(=O)C1CC2C(=O)CCC21 Amb27177522 [0,0,1,0,0,0|1,0,0]=2 15 B13R2.1156 COC(=O)C1CC2C(O)CCC12 Amb28401009 [0,0,1,0,0,0|1,0,2]=4 16 B13R2.1156 COC(=O)C1C[C@@H]2C(=O)CC[C@H]12 Amb28074671 [0,0,1,0,0,0|1,0,0]=2 17 B13R2.1156 COC(=O)C1C[C@H]2[C@@H]1CC[C@H]2O Amb27448904 [0,0,1,0,0,0|1,0,2]=4 18 B13R2.3744 CC(C)=C1C(C)C2C(=O)CCC12 Amb27260422 [0,0,1,0,0,0|1,0,1]=3 19 B13R2.4849 O=C1CCCN2C(=O)CCC2C1 Amb27646071 [0,0,1,0,0,0|1,0,0]=2 20 B12R2.6 O=C1CC(C2CCCC2)CN1 Amb26641863 [1,0,1,0,0,0|1,0,1]=4 21 B12R2.6 O=C1CC(C2CCCO2)CN1 Amb25733579 [1,0,1,0,0,0|2,0,0]=4 22 B12R2.6 O=C1CC(C2CCCS2)CN1 Amb33415385 [1,0,1,0,0,0|2,0,0]=4 23 B12R2.6 O=C1CCC(C2CCCC2)C1 Amb8503561 [1,0,1,0,0,0|0,0,1]=3 24 B12R2.6 O=C1CCC(C2CCCC2)N1 Amb27846011 [1,0,1,0,0,0|1,0,1]=4 25 B12R2.6 O=C1CCC(C2CCCO2)N1 Amb31188230 [1,0,1,0,0,0|2,0,0]=4 26 B12R2.6 O=C1CCC(C2OCCO2)C1 Amb25371796 [1,0,1,0,0,0|2,0,0]=4 27 B12R2.6 O=C1CCC(N2CCCC2)C1 Amb28058950 [1,0,1,0,0,0|1,0,1]=4 28 B12R2.6 O=C1CCN(C2C=CCC2)C1 Amb30007029 [1,0,1,0,0,0|1,0,1]=4 29 B12R2.6 O=C1CC[C@H](C2CCCC2)C1 Amb28182520 [1,0,1,0,0,0|0,0,1]=3 30 B12R2.6 O=C1COC(C2CCCC2)C1 Amb35734216 [1,0,1,0,0,0|1,0,1]=4 31 B12R2.6 O=C1COC(C2CCCO2)C1 Amb35734203 [1,0,1,0,0,0|2,0,0]=4 32 B12R2.10 O=C1CCCC1C2CCCC2 Amb3907631 [1,0,1,0,0,0|0,0,1]=3 33 B12R2.10 O=C1CCCC1C2CCCN2 Amb22157196 [1,0,1,0,0,0|1,0,1]=4 34 B12R2.10 O=C1CCCC1C2CCCN2 Amb32701574 [1,0,1,0,0,0|1,0,1]=4 35 B12R2.10 O=C1CCCC1C2CCSC2 Amb35697105 [1,0,1,0,0,0|1,0,0]=3 36 B12R2.10 O=C1CCCN1C2CCNC2 Amb27838180 [1,0,1,0,0,0|2,0,0]=4 37 B12R2.10 O=C1CCCN1C2CCNC2 Amb30584626 [1,0,1,0,0,0|2,0,0]=4 38 B12R2.10 O=C1CCCN1[C@H]2CCNC2 Amb28048312 [1,0,1,0,0,0|2,0,0]=4 39 B12R2.10 O=C1CCC[C@H]1C2CCCC2 Amb27823646 [1,0,1,0,0,0|0,0,1]=3 40 B12R2.10 O=C1COCC1C2CCCC2 Amb35639033 [1,0,1,0,0,0|1,0,1]=4 41 B12R2.10 O=C1CSCC1C2CCCC2 Amb27758429 [1,0,1,0,0,0|1,0,1]=4 42 B12R2.10 O=C1CSCC1C2CCSC2 Amb35697111 [1,0,1,0,0,0|2,0,0]=4 43 B12R2.10 O=C1NCCC1C2CCCC2 Amb28289229 [1,0,1,0,0,0|1,0,1]=4 44 B12R2.10 O=C1NCCC1C2CCOC2 Amb28313284 [1,0,1,0,0,0|2,0,0]=4 45 B12R2.10 O=C1NCCC1C2CCSC2 Amb35711404 [1,0,1,0,0,0|2,0,0]=4 46 B12R2.182 CCOC1C[C@H]2C(=O)CC[C@@H]12 Amb27440453 [1,0,1,0,0,0|1,0,0]=3 47 B12R2.182 CCO[C@@H]1C[C@@H]2C(=O)CC[C@@H]21 Amb27427590 [1,0,1,0,0,0|1,0,0]=3 48 B12R2.182 CCO[C@H]1C[C@@H]2C(=O)CC[C@H]12 Amb27195790 [1,0,1,0,0,0|1,0,0]=3 49 B12R2.1542 CCC(=O)C1CC2CCCC21 Amb28202339 [1,0,1,0,0,0|0,0,1]=3 50 B12R2.1542 CCC(=O)[C@H]1C[C@H]2CCC[C@@H]12 Amb27212448 [1,0,1,0,0,0|0,0,1]=3 51 B12R2.114 O=C1CC2CCNC2CCN1 Amb27175292 [1,0,1,0,0,0|2,0,0]=4 52 B12R2.114 O=C1CCC[C@@H]2C=CC[C@@H]2C1 Amb27802704 [1,0,1,0,0,0|0,0,1]=3 53 B12R2.114 O=C1CCC[C@H]2CCC[C@@H]2C1 Amb27434256 [1,0,1,0,0,0|0,0,1]=3 54 B12R2.586 O=C1CCC2CNCCCN12 Amb27962737 [1,0,1,0,0,0|2,0,0]=4 55 B12R2.586 O=C1CC[C@@H]2CC=CCC[C@H]12 Amb28285915 [1,0,1,0,0,0|0,0,1]=3 56 B12R2.586 O=C1CC[C@@H]2CCCCC[C@H]12 Amb28351654 [1,0,1,0,0,0|0,0,1]=3 57 B12R2.586 O=C1NC[C@@H]2CCCCC[C@H]12 Amb27853850 [1,0,1,0,0,0|1,0,1]=4 58 B14R2.121 O=CC1=CCC(C2CCCC2=O)C1 Amb28054429 [0,1,1,0,0,0|0,0,1]=3 59 B14R2.4381 NC1CCN(C2CNC(=O)C2)C1=O Amb27222048 [0,1,1,0,0,0|2,0,0]=4 60 B14R2.4747 O=C1CCC(C2CCCC2O)C1O Amb27179622 [0,1,1,0,0,0|0,0,2]=4 61 B14R2.28501 O=C1CCCC2C(C1)CC(O)C2O Amb27188471 [0,1,1,0,0,0|0,0,2]=4 62 B14R3.19312 O=C1CCC2C3CCC(=O)C3C12 Amb28325536 [1,1,0,0,0,0|0,0,2]=4 63 B14R3.19312 O=C1CC[C@H]2[C@@H]3CCC(=O)[C@@H]3[C@@H]12 Amb25984068 [1,1,0,0,0,0|0,0,2]=4 64 B14R3.19381 C[C@]12CCC(=O)[C@H]1[C@H]3CCC[C@H]32 Amb28253724 [1,1,0,0,0,0|0,0,1]=3 65 B16R3.193263 CC1CC(=O)C2C1C3C(O)CCC23C Amb27396994 [0,2,0,0,0,0|0,0,2]=4 66 B12R1.31 CCNC(=O)CC1COC(=O)C1 Amb27479502 [0,0,2,0,0,0|2,0,0]=4 67 B12R1.31 CCOC(=O)CC1CCC(=O)C1 Amb30867997 [0,0,2,0,0,0|1,0,0]=3 68 B12R1.31 CCOC(=O)CC1CNC(=O)C1 Amb23598227 [0,0,2,0,0,0|2,0,0]=4 69 B12R1.31 CCOC(=O)NC1CCC(=O)C1 Amb26911629 [0,0,2,0,0,0|2,0,0]=4 70 B12R1.33 COC(=O)C(C)N1CCC(=O)C1 Amb27846603 [0,0,2,0,0,0|2,0,0]=4 71 B12R1.33 COC(=O)C(N)C1CCC(=O)C1 Amb27170543 [0,0,2,0,0,0|2,0,0]=4 72 B12R1.130 CC(=O)CCCC1CCCN1C Amb33320329 [0,0,2,0,0,0|2,0,0]=4 73 B12R1.130 CC(=O)NCCC1CCCC1=O Amb27793453 [0,0,2,0,0,0|1,0,0]=3 74 B12R1.130 CC(=O)\C=C\CC1CCCC1=O Amb26927565 [0,0,2,0,0,0|0,0,2]=4 75 B12R1.130 CC(C)=CCCC1CCCC1=O Amb30023716 [0,0,2,0,0,0|1,0,1]=4 76 B12R1.130 O=C(O)CCCN1CCCC1=O Amb1130787 [0,0,2,0,0,0|2,0,0]=4 77 B12R1.130 O=C(O)CCSC1CCCC1=O Amb16230793 [0,0,2,0,0,0|2,0,0]=4 78 B12R1.144 CC(CC(=O)O)C1CCNC1=O Amb27403564 [0,0,2,0,0,0|2,0,0]=4 79 B12R1.144 CC(CC(=O)O)N1CCCC1=O Amb9020508 [0,0,2,0,0,0|2,0,0]=4 80 B12R1.353 COC(=O)CCC1CCCC1=O Amb17400325 [0,0,2,0,0,0|1,0,0]=3 81 B12R1.353 COC(=O)CCN1CCCC1=O Amb7773694 [0,0,2,0,0,0|2,0,0]=4 82 B12R1.472 CC[C@H](C(=O)O)[C@H]1CCC(=O)C1 Amb27863521 [0,0,2,0,0,0|1,0,0]=3 83 B12R1.321 C=CCCC1CCCCC(=O)C1 Amb27951458 [0,0,2,0,0,0|1,0,0]=3 84 B12R1.321 CN1CCCCC(CCC=O)C1 Amb27965736 [0,0,2,0,0,0|2,0,0]=4 85 B12R1.321 N#CCCC1CCCCC(=O)C1 Amb28202067 [0,0,2,0,0,0|1,0,1]=4 86 B12R1.1658 CCC(=O)C1CCCC(C)CC1 Amb28352218 [0,0,2,0,0,0|1,0,1]=4 87 B12R1.1658 CCC(=O)N1CCCC(=O)CC1 Amb27175994 [0,0,2,0,0,0|1,0,0]=3 88 B12R1.1658 CCC(=O)N1CCNC(=O)CC1 Amb18806484 [0,0,2,0,0,0|2,0,0]=4 89 B12R1.1658 COC(=O)C1CCCC(=O)CC1 Amb22490237 [0,0,2,0,0,0|1,0,0]=3 90 B12R1.1658 COC(=O)C1CCNC(=O)CC1 Amb26993027 [0,0,2,0,0,0|2,0,0]=4 91 B12R1.1658 COC(=O)N1CCCC(=O)CC1 Amb27177616 [0,0,2,0,0,0|2,0,0]=4 92 B12R1.1660 COC(=O)C1CC(C(=O)OC)C1 Amb34153726 [0,0,2,0,0,0|2,0,0]=4 93 B12R1.1672 C=C(CC)CC1CCC(=O)C1C Amb27770245 [0,0,2,0,0,0|1,0,0]=3 94 B12R1.1672 CC1C(=O)CCC1CC(=O)NO Amb27804659 [0,0,2,0,0,0|2,0,0]=4 95 B12R1.1672 COC(=O)CC1CCC(=O)C1C Amb24647998 [0,0,2,0,0,0|1,0,0]=3 96 B12R1.1672 COC(=O)C[C@@H]1CCC(=O)C1C Amb27828906 [0,0,2,0,0,0|1,0,0]=3 97 B12R1.89 CCC1C(=O)OCC1CC(=O)O Amb25258337 [0,0,2,0,0,0|2,0,0]=4 98 B12R1.89 CCN1C(=O)CCC1CC(=O)O Amb31289898 [0,0,2,0,0,0|2,0,0]=4 99 B12R1.89 CC[C@@H]1C(=O)OC[C@@H]1CC(=O)O Amb27192122 [0,0,2,0,0,0|2,0,0]=4 100 B12R1.1007 CC1CCCCC(=O)CCCC1 Amb27177486 [0,0,2,0,0,0|1,0,1]=4 101 B12R1.1007 O=C1CC=CCC(=O)CCCC1 Amb27212018 [0,0,2,0,0,0|0,0,2]=4 102 B12R1.1007 O=C1CCCCC(=O)OCCC1 Amb17594258 [0,0,2,0,0,0|1,0,0]=3 103 B12R1.1007 O=C1CCCCC(=O)OCCO1 Amb25892017 [0,0,2,0,0,0|2,0,0]=4 104 B12R1.1007 O=C1CCCCC(O)CCCC1 Amb4020519 [0,0,2,0,0,0|0,0,2]=4 105 B14R3.4074 O=C1CCC[C@@]12C[C@@H]3CC[C@H]2C3 Amb27881861 [0,0,1,1,0,0|1,0,1]=4 106 B14R3.4074 O=C1CCC[C@]12C[C@H]3CC[C@H]2C3 Amb27432590 [0,0,1,1,0,0|1,0,1]=4 107 B14R3.5860 O=C1C2C=CC1C3C(=O)CCC23 Amb28202378 [0,0,1,1,0,0|0,0,2]=4 108 B14R3.5860 O=C1C2CCC1C3C(=O)OCC23 Amb28322046 [0,0,1,1,0,0|1,0,0]=3 109 B14R3.5860 O=C1CC[C@@H]2[C@H]1[C@@H]3CC[C@H]2C3=O Amb28194549 [0,0,1,1,0,0|0,0,0]=2 110 B14R3.5860 O=C1OC[C@@H]2[C@H]1[C@@H]3CC[C@H]2C3=O Amb27434223 [0,0,1,1,0,0|1,0,0]=3 111 B14R3.5860 O=C1[C@H]2C=C[C@@H]1[C@@H]3CCC(=O)[C@H]23 Amb27205217 [0,0,1,1,0,0|0,0,2]=4 112 B14R3.19310 C=C1C[C@@H]2C[C@H]1[C@H]3CCC(=O)[C@H]23 Amb27844150 [0,0,1,1,0,0|1,0,0]=3 113 B14R3.19310 O=C1CCC2C1[C@H]3CC(O)[C@@H]2C3 Amb27484708 [0,0,1,1,0,0|0,0,2]=4 114 B14R3.32897 O=C1C[C@@H]2[C@H](C1)[C@H]3C[C@@H]2CC3=O Amb28052501 [0,0,1,1,0,0|0,0,0]=2 115 B14R3.355 CC12CCCC13C(=O)CCC3C2 Amb27433114 [0,0,1,1,0,0|1,0,1]=4 116 B14R3.355 C[C@]12CCCC13C(=O)CC[C@@H]3C2 Amb27859436 [0,0,1,1,0,0|1,0,1]=4 117 B14R3.9595 O=C1CC2CCC3(O)C1CCC23 Amb27177662 [0,0,1,1,0,0|0,0,2]=4 118 B16R4.38138 O=C1CCC2C1C3C4CCC(C4)C23 Amb27772537 [0,0,0,1,0,1|1,0,1]=4 119 B16R4.80013 C[C@H]1C2C3CC4C(=O)C3C2[C@@H](O)C41 Amb27211901 [0,1,0,1,0,0|1,0,1]=4 120 B16R5.206753 O=C1C2C3CC4C1C5C2CC3C45 Amb1146893 [0,0,0,2,0,0|1,0,1]=4 121 B16R5.206753 O=C1[C@H]2[C@H]3C[C@@H]4C5[C@H]3C[C@H]2[C@@H]5[C@H]14 Amb27211999 [0,0,0,2,0,0|1,0,1]=4 122 B12R2.111 O=C1CC(C2CCCC2=O)N1 Amb25347685 [0,0,1,0,1,0|1,0,0]=3 123 B12R2.2092 CCCC[C@@H]1[C@@H]2CCC(=O)[C@@H]21 Amb27434195 [0,0,1,0,1,0|1,0,1]=4 124 B12R2.2092 CN1CCC2C(CCC=O)C21 Amb27489114 [0,0,1,0,1,0|2,0,0]=4 125 B12R2.1563 CNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 Amb28052644 [0,0,1,0,1,0|1,0,0]=3 126 B12R2.1563 COC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 Amb28201109 [0,0,1,0,1,0|1,0,0]=3 127 B12R2.1563 COC(=O)[C@@H]1[C@H]2CNC(=O)[C@H]21 Amb27206575 [0,0,1,0,1,0|2,0,0]=4 128 B12R2.196 C=C1CCC2C(=O)CCCC12 Amb28144076 [0,0,1,0,1,0|1,0,0]=3 129 B12R2.196 CC1CC[C@@H]2C(=O)CCC[C@H]12 Amb28202266 [0,0,1,0,1,0|1,0,1]=4 130 B12R2.196 C[C@@H]1CCC[C@@H]2C(=O)CC[C@H]21 Amb28054350 [0,0,1,0,1,0|1,0,1]=4 131 B12R2.196 O=C1CCN2C(=O)CCCC12 Amb27750327 [0,0,1,0,1,0|1,0,0]=3 132 B12R2.196 O=C1CCN2C(=O)CCCN12 Amb27767877 [0,0,1,0,1,0|2,0,0]=4 133 B12R2.196 O=C1NCCN2C(=O)CCC12 Amb26033384 [0,0,1,0,1,0|2,0,0]=4 134 B12R2.612 CC1=CCC2C(=O)CCC2C1 Amb27478186 [0,0,1,0,1,0|1,0,1]=4 135 B12R2.612 O=C1C=C2CCC(=O)C2CC1 Amb25891415 [0,0,1,0,1,0|0,0,2]=4 136 B12R2.612 O=C1CCC2C(=O)CCC2N1 Amb27469808 [0,0,1,0,1,0|1,0,0]=3 137 B12R2.612 O=C1CCN2C(=O)CCC2C1 Amb22499540 [0,0,1,0,1,0|1,0,0]=3 138 B12R2.612 O=C1CCN2C(=O)CCC2N1 Amb27797350 [0,0,1,0,1,0|2,0,0]=4 139 B12R2.612 O=C1CC[C@@H]2C(=O)CC[C@@H]2C1 Amb27263016 [0,0,1,0,1,0|0,0,0]=2 140 B14R2.256 CN1CCC(C2CNCCC2=O)C1 Amb18192360 [0,0,1,0,0,1|2,0,0]=4 141 B14R2.269 CC1CCCC(C2CCCC2=O)C1 Amb27466899 [0,0,1,0,0,1|1,0,1]=4 142 B14R2.269 CC1CCNC(C2CCCC2=O)C1 Amb25155737 [0,0,1,0,0,1|1,0,1]=4 143 B14R2.269 O=C1C=CCC(C2CCCC2=O)C1 Amb27267156 [0,0,1,0,0,1|0,0,1]=3 144 B14R2.269 O=C1CCCC1N2CCC=C(Br)C2 Amb35688325 [0,0,1,0,0,1|2,0,0]=4 145 B14R2.269 O=C1CCCC1N2CCC=C(Cl)C2 Amb35695890 [0,0,1,0,0,1|2,0,0]=4 146 B14R2.926 CC1CCC(C2CCCC2=O)CC1 Amb27981139 [0,0,1,0,0,1|1,0,1]=4 147 B14R2.926 O=C1CCC(N2CCNC2=O)CC1 Amb23598549 [0,0,1,0,0,1|2,0,0]=4 148 B14R2.926 O=C1CCCC1N2CCS(=O)CC2 Amb19049642 [0,0,1,0,0,1|2,0,0]=4 149 B14R2.926 O=C1CCN(C2CCNC2=O)CC1 Amb27756160 [0,0,1,0,0,1|2,0,0]=4 150 B14R2.860 O=CCC[C@@H]1CC[C@@H]2CCC(=O)[C@H]12 Amb27435379 [0,0,1,0,0,1|0,0,0]=2 151 B14R2.10776 COC(=O)N1CC2CC1CCC2=O Amb28430502 [0,0,1,0,0,1|2,0,0]=4 152 B14R2.10776 COC(=O)[C@@H]1C[C@@H]2N[C@H]1CCC2=O Amb27209598 [0,0,1,0,0,1|1,0,0]=3 153 B14R2.28454 O=C1CCC[C@@H]2C(=O)CCC[C@H]2N1 Amb27775855 [0,0,1,0,0,1|1,0,0]=3 154 B14R3.365 O=C1CCC2CC1C3CC=CC23 Amb28202223 [1,0,0,0,0,1|0,0,1]=3 155 B14R3.5013 O=C1CCC[C@@H]2[C@H]3CCC[C@H]3[C@@H]12 Amb27861321 [1,0,0,0,0,1|0,0,1]=3 156 B14R3.5013 O=C1CCC[C@H]2C3CCCC3[C@@H]12 Amb27440441 [1,0,0,0,0,1|0,0,1]=3 157 B14R3.5858 O=C1CC[C@@H]2C[C@@H]3CCC[C@@H]3[C@H]12 Amb28074731 [1,0,0,0,0,1|0,0,1]=3