0 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.5 CCO/C=C/C(=O)OCC AK109543 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.5 NCCCCC(=O)OCC AK-41723 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.5 O=C(OCC)COCCCl AK-86508 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.5 O=C(OCC)\C=C\OCC AK-45173 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.5 O=C(OCCCC)CC#N AK109261 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.1 CCOC(=O)CCCI AK102411 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.1 CCOC(=O)CCCN AK-47111 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.1 O=C(OCC)CCCBr AK-41609 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.6 C(Cl)C(=O)NCCCC AK-59895 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.6 C=CC(CCCCC)=O AK164478 [1,0,0,0,0,0|0,0,2]=3 11 B8R0.6 O=C(OC)CCCCBr AK-88540 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.6 O=C(OC)CCCCN AK112995 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.6 O=C(OC)CCCOC AK151485 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.6 O=C(OC)COCCCl AK-44958 [1,0,0,0,0,0|2,0,0]=3 15 B10R0.1 CCOC(=O)CCCCCBr AK111109 [0,1,0,0,0,0|0,0,0]=1 16 B10R0.1 O=C(OCC)CCCCCN AK145590 [0,1,0,0,0,0|0,0,0]=1 17 B10R0.1 O=C(OCC)CNCCC#N AK188033 [0,1,0,0,0,0|1,0,1]=3 18 B10R0.2 O=C(OCC)CC(OCC)=O AK120896 [0,1,0,0,0,0|1,0,1]=3 19 B10R0.2 O=C(OCC)C[C@H](O)CC#N AK-50683 [0,1,0,0,0,0|1,0,1]=3 20 B10R0.2 O=C(OCC)\C=C(N)\OCC AK116519 [0,1,0,0,0,0|1,0,2]=4 21 B10R0.3 CCOC(=O)CCCC(C)=C AK103346 [0,1,0,0,0,0|0,0,1]=2 22 B10R0.3 O=C(O)CCCC(OCC)=O AK486985 [0,1,0,0,0,0|1,0,1]=3 23 B10R0.19 O=C(C(=O)OCC)CCCC AK-46512 [0,1,0,0,0,0|0,0,1]=2 24 B10R0.108 O=C(OCC)CNC(OC)=O AK-93553 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.10 O=C1CC(CCC)NCC1 AK129486 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.11 CCOC(=O)C1CCNC1 AK-89599 [0,0,0,1,0,0|1,0,0]=2 27 B10R1.11 N1CCC(C1)C(=O)OCC AK-65324 [0,0,0,1,0,0|1,0,0]=2 28 B10R1.11 O=C(C1CC=NN1)OCC AK-80964 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.11 O=C(C1OCCC1)OCC AK-62782 [0,0,0,1,0,0|1,0,0]=2 30 B10R1.11 O=C([C@H]1NCCC1)NCC AK170245 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.11 O=C([C@H]1NCCC1)OCC AK133273 [0,0,0,1,0,0|1,0,0]=2 32 B10R1.11 O=C([C@H]1NCSC1)OCC AK-81296 [0,0,0,1,0,0|2,0,0]=3 33 B10R1.21 ClCCCCC1OCCO1 AK163242 [0,0,0,1,0,0|1,0,2]=4 34 B10R1.130 CCCC1=C(O)OC(=O)C1 AK103363 [0,0,0,1,0,0|1,0,2]=4 35 B10R1.135 O=C(C1C(C=O)C1)OCC AK159087 [0,0,0,1,0,0|1,0,1]=3 36 B10R1.137 O=C(OCC)\C=C/1COC1 AK-80577 [0,0,0,1,0,0|1,0,2]=4 37 B10R1.138 [C@H]1(OC1)COC(=O)CCC AK-73004 [0,0,0,1,0,0|3,0,0]=4 38 B7R0.3 CCCCC(NN)=O AK114657 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.3 O=C(OC)CCCBr AK-94853 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.3 O=C(OC)CCNC AK-85857 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.7 C(C)OC(CCI)=O AK-46570 [2,0,0,0,0,0|1,0,0]=3 42 B7R0.7 CC#CC(OCC)=O AK-44989 [2,0,0,0,0,0|0,0,2]=4 43 B7R0.7 CCOC(=O)CCBr AK-76993 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.7 CCOC(=O)CCO AK-41251 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.7 O=C(NCC)NCC AK116700 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.7 O=C(OCC)CCN AK-49791 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.7 O=C(OCC)CNC AK-44190 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.7 O=C(OCC)CNN AK-50556 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.7 O=C(OCC)OCCl AK128867 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.4 C#CCCCC(O)=O AK112298 [2,0,0,0,0,0|0,0,2]=4 51 B7R0.4 C(CCC#N)C(O)=O AK-40359 [2,0,0,0,0,0|1,0,1]=4 52 B7R0.4 CC(OCCCCl)=O AK167628 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.4 CCCCCB(O)O AK-46118 [2,0,0,0,0,0|1,0,1]=4 54 B7R0.4 COCCCC(O)=O AK-76729 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.4 NC(OCCCC)=O AK116656 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.4 O=C(O)CCCCBr AK113954 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.4 O=C(O)CCCCCl AK139351 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.4 O=C(O)CCCCO AK198817 [2,0,0,0,0,0|1,0,0]=3 59 B9R0.18 C(C(CCCCl)=O)CCCl AK-46594 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.34 CCC(CC(OCC)=O)=O AK-49828 [1,1,0,0,0,0|0,0,1]=3 61 B9R0.34 O=C(OCC)C[C@H](O)CCl AK-50772 [1,1,0,0,0,0|1,0,0]=3 62 B9R0.35 C(C)CC(C(OCC)=O)=O AK-46676 [1,1,0,0,0,0|0,0,1]=3 63 B9R0.35 CCOC(=N)C(=O)OCC AK-49026 [1,1,0,0,0,0|1,0,1]=4 64 B9R0.35 [C@H](N)(CCC)C(=O)OCC AK-41697 [1,1,0,0,0,0|0,0,0]=2 65 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [1,1,0,0,0,0|0,0,1]=3 66 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [1,1,0,0,0,0|1,0,1]=4 67 B9R0.45 CCCCCCCCCBr AK164444 [1,1,0,0,0,0|1,0,1]=4 68 B9R0.1 C=C(C)CCCC(OC)=O AK550726 [1,1,0,0,0,0|0,0,1]=3 69 B9R0.1 COC(=O)CCCC(Cl)=O AK-78695 [1,1,0,0,0,0|1,0,1]=4 70 B9R0.1 COC(=O)CCCC(O)=O AK-76606 [1,1,0,0,0,0|1,0,1]=4 71 B9R0.24 COC(=O)CCC(=O)CN AK-79197 [1,1,0,0,0,0|1,0,1]=4 72 B9R0.47 C[C@H](N)C(OCCCC)=O AK-76562 [1,1,0,0,0,0|1,0,0]=3 73 B11R0.4 CCOC(=O)CCCCCCBr AK-68411 [0,2,0,0,0,0|0,0,0]=2 74 B11R0.4 O=C(OCC)CCCCCCN AK-41611 [0,2,0,0,0,0|0,0,0]=2 75 B11R0.62 O=C(OCC)CCC(OCC)=O AK151972 [0,2,0,0,0,0|0,0,1]=3 76 B11R0.155 [C@H](N)(CCCCN)C(=O)OCC AK-49745 [0,2,0,0,0,0|0,0,0]=2 77 B11R0.177 O=C(OCC)C(C)C(OCC)=O AK400182 [0,2,0,0,0,0|1,0,1]=4 78 B11R0.177 O=C(OCC)C(N)C(OCC)=O AK-45984 [0,2,0,0,0,0|1,0,1]=4 79 B11R0.141 [C@H](N)(CCC(=O)OCC)C(O)=O AK-46358 [0,2,0,0,0,0|1,0,1]=4 80 B11R0.68 O=C(OC(C)C)[C@@H](N)CCSC AK111193 [0,2,0,0,0,0|1,0,0]=3 81 B11R0.165 CNCCNC(OC(C)(C)C)=O AK-28427 [0,2,0,0,0,0|2,0,0]=4 82 B11R0.165 NCCCNC(OC(C)(C)C)=O AK-30524 [0,2,0,0,0,0|2,0,0]=4 83 B11R0.165 O=C(NCCCBr)OC(C)(C)C AK-36511 [0,2,0,0,0,0|2,0,0]=4 84 B11R0.165 O=C(OC(C)(C)C)CCCCBr AK194866 [0,2,0,0,0,0|1,0,0]=3 85 B11R0.165 O=C(OC(C)(C)C)NCCCI AK-63184 [0,2,0,0,0,0|2,0,0]=4 86 B11R0.165 O=C(OC(C)(C)C)NCCCN AK-47630 [0,2,0,0,0,0|2,0,0]=4 87 B11R0.43 CCOC(=O)C(=O)CC(=O)CC AK-51317 [0,2,0,0,0,0|0,0,2]=4 88 B11R0.191 CCCCC(CC)C(=O)OCC AK-82117 [0,2,0,0,0,0|0,0,0]=2 89 B11R0.140 O=C(OCC#CI)NCCCC AK-49902 [0,2,0,0,0,0|1,0,1]=4 90 B9R1.2 O=C1NCCC(CO)C1 AK170344 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.2 O=C1NCCN(CC)C1 AK480961 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.50 O=C1CCCCCCC1 AK-96432 [1,0,0,1,0,0|1,0,0]=3 94 B9R1.50 O=C1NCCCCCC1 AK-84407 [1,0,0,1,0,0|1,0,0]=3 95 B9R1.73 O=C(C1CNC1)OCC AK-51603 [1,0,0,1,0,0|1,0,0]=3 96 B9R1.1 C1(CCC(=O)CC1)CC AK-47285 [1,0,0,1,0,0|0,0,0]=2 97 B9R1.1 N#CC1CCC(CC1)=O AK-46872 [1,0,0,1,0,0|1,0,1]=4 98 B9R1.1 O=C1CCC(CO)CC1 AK114473 [1,0,0,1,0,0|1,0,0]=3 99 B9R1.1 O=C1CCC(NC)CC1 AK-43402 [1,0,0,1,0,0|1,0,0]=3 100 B9R1.1 O=C1CCC(OC)CC1 AK-58310 [1,0,0,1,0,0|1,0,0]=3 101 B9R1.1 O=C1NCC(CO)CC1 AK-88773 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.1 O=CC1CCC(CC1)=O AK-46502 [1,0,0,1,0,0|1,0,1]=4 103 B9R1.11 COC(=O)[C@H]1CCCN1 AK-81261 [1,0,0,1,0,0|1,0,0]=3 104 B9R1.11 O=C(C1=CCCC1)OC AK-39180 [1,0,0,1,0,0|0,0,2]=4 105 B9R1.11 O=C(C1CNCC1)OC AK-72873 [1,0,0,1,0,0|1,0,0]=3 106 B9R1.11 O=C(C1COCC1)OC AK137950 [1,0,0,1,0,0|1,0,0]=3 107 B9R1.11 O=C(C1NCCC1)OC AK-81380 [1,0,0,1,0,0|1,0,0]=3 108 B9R1.11 O=C(OC)[C@H]1NCCC1 AK-46611 [1,0,0,1,0,0|1,0,0]=3 109 B9R1.11 O=C([C@@H]1CNCC1)OC AK-65093 [1,0,0,1,0,0|1,0,0]=3 110 B9R1.11 O=C([C@H]1CNCC1)OC AK-77335 [1,0,0,1,0,0|1,0,0]=3 111 B11R1.16 C(OC(C1CCCNC1)=O)C AK-50734 [0,1,0,1,0,0|0,0,0]=2 112 B11R1.16 C(OC(C1CCNCC1)=O)C AK-50644 [0,1,0,1,0,0|0,0,0]=2 113 B11R1.16 CCOC(=O)N1CCCCC1 AK-76918 [0,1,0,1,0,0|0,0,0]=2 114 B11R1.16 O=C(C1CCNCC1)OCC AK114998 [0,1,0,1,0,0|0,0,0]=2 115 B11R1.16 O=C(C1CCOCC1)OCC AK-55948 [0,1,0,1,0,0|0,0,0]=2 116 B11R1.16 O=C(C1CNCCC1)OCC AK-45217 [0,1,0,1,0,0|0,0,0]=2 117 B11R1.16 O=C(C1CNCCO1)OCC AK-32010 [0,1,0,1,0,0|1,0,0]=3 118 B11R1.16 O=C(C1NCCCC1)OCC AK117282 [0,1,0,1,0,0|0,0,0]=2 119 B11R1.16 O=C(C1NCCNC1)OCC AK-82337 [0,1,0,1,0,0|1,0,0]=3 120 B11R1.16 O=C([C@@H]1CNCCC1)OCC AK-50723 [0,1,0,1,0,0|0,0,0]=2 121 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-41584 [0,1,0,1,0,0|0,0,0]=2 122 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-45083 [0,1,0,1,0,0|0,0,0]=2 123 B11R1.16 O=C([C@H]1CNCCC1)OCC AK-50703 [0,1,0,1,0,0|0,0,0]=2 124 B11R1.16 O=C([C@H]1NCCCC1)OCC AK-97255 [0,1,0,1,0,0|0,0,0]=2 125 B11R1.30 CCOC(=O)CC1CCNC1 AK-64695 [0,1,0,1,0,0|0,0,0]=2 126 B11R1.30 O=C(OCC)CC1OCCC1 AK154820 [0,1,0,1,0,0|0,0,0]=2 127 B11R1.199 C(OC(C1C(CCC1)=O)=O)C AK-47297 [0,1,0,1,0,0|0,0,1]=3 128 B11R1.199 CCOC(=O)C1COCC1=O AK-82248 [0,1,0,1,0,0|1,0,1]=4 129 B11R1.199 O=C(C1C(OCC1)=O)OCC AK-72736 [0,1,0,1,0,0|1,0,1]=4 130 B11R1.199 O=C(C1CNCC1=O)OCC AK100873 [0,1,0,1,0,0|1,0,1]=4 131 B11R1.199 O=C([C@H]1[C@@H](O)CCC1)OCC AK306178 [0,1,0,1,0,0|0,0,0]=2 132 B11R1.334 C(C(C1CC1)=O)C(OCC)=O AK-28517 [0,1,0,1,0,0|0,0,1]=3 133 B11R1.15 O=C(C1CC(CC1)=O)OCC AK-86296 [0,1,0,1,0,0|0,0,1]=3 134 B11R1.15 O=C(C1CC(NC1)=O)OCC AK-35807 [0,1,0,1,0,0|1,0,1]=4 135 B11R1.15 O=C(N1CC(CC1)=O)OCC AK-44543 [0,1,0,1,0,0|1,0,1]=4 136 B11R1.15 O=C([C@@H]1CCC(N1)=O)OCC AK-44074 [0,1,0,1,0,0|1,0,1]=4 137 B11R1.15 O=C1CC[C@H](C(OCC)=O)N1 AK-50038 [0,1,0,1,0,0|1,0,1]=4 138 B11R1.819 O=C(C1(O)CCCC1)OCC AK122366 [0,1,0,1,0,0|0,0,0]=2 139 B11R2.3 O=C1NCCC12CNCC2 AK122730 [0,0,0,2,0,0|2,0,0]=4 140 B11R2.202 O=C1C2C(CCC2)C(O1)=O AK-81699 [0,0,0,2,0,0|1,0,1]=4 141 B11R2.1 O=C1OC[C@@H]2CNCCN21 AK124406 [0,0,0,2,0,0|2,0,0]=4