0 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.19 CCC(CC(CC)=O)=O AK-88511 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.19 CNC(C)=CC(=O)OC AK-89549 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.2 O=C(O)CC(OC)=O AK-77136 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.2 O=C(OC)CC(N)=O AK127795 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.3 O=C(OC)CCNC AK-85857 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.26 O=C(OC)CC(OC)OC AK116970 [0,1,0,0,0,0|1,0,2]=4 11 B9R0.26 O=C(OC)\C=C(OC)/CCl AK117072 [0,1,0,0,0,0|2,0,0]=3 12 B9R0.34 CCC(CC(OCC)=O)=O AK-49828 [0,1,0,0,0,0|2,0,0]=3 13 B9R0.34 CCCC(CC(OC)=O)=O AK-93760 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.34 O=C(OC)CC(COC)=O AK-76878 [0,1,0,0,0,0|1,0,0]=2 15 B9R0.34 O=C(OCC)CC(NN)=O AK-81585 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.42 CC(C(CC(=O)OC)=O)C AK-46521 [0,1,0,0,0,0|2,0,0]=3 17 B9R0.42 O=C(O)C(CC(OC)=O)=O AK159593 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.21 COC1=CC=C(OC)S1 AK160909 [0,0,0,1,0,0|2,1,0]=4 19 B9R1.37 O=C1C(C)=C(C)C(O1)=O AK-47494 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.37 O=C1N(C)[C@@H](C)C(O1)=O AK173849 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.48 O=C1CC(CCCN1)=O AK163792 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.69 CC1CCC(=O)NC1=O AK-80663 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.69 O=C1CC(C(CN1)C)=O AK-24495 [0,0,0,1,0,0|3,0,0]=4 25 B7R0.10 CCC(N(OC)C)=O AK130253 [0,0,0,0,1,0|3,0,0]=4 26 B7R0.10 CCC(N)C(OC)=O AK115477 [0,0,0,0,1,0|2,0,1]=4 27 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [0,0,0,0,1,0|2,0,1]=4 28 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [0,0,0,0,1,0|2,0,1]=4 29 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [0,0,0,0,1,0|2,0,1]=4 30 B7R0.10 COC(O)C(=O)OC AK-33946 [0,0,0,0,1,0|0,0,2]=3 31 B9R0.24 COC(=O)CCC(=O)CN AK-79197 [0,0,0,0,0,1|3,0,0]=4 32 B9R0.24 O=C(OC)CNC(CN)=O AK129308 [0,0,0,0,0,1|3,0,0]=4 33 B9R0.24 O=C(OC)\C=C\C(OC)=O AK144836 [0,0,0,0,0,1|1,0,0]=2 34 B6R0.1 O=C(OC)CCO AK-83355 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.1 O=C(OC)CNC AK-58375 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.1 O=C(OC)OCC AK397345 [2,0,0,0,0,0|0,0,1]=3 37 B6R0.1 O=C(OC)\C=C\I AK-49986 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.2 OC(=O)CC(O)=O AK-98172 [2,0,0,0,0,0|1,0,0]=3 41 B6R0.4 O=C(O)CCOC AK-88477 [2,0,0,0,0,0|1,0,1]=4 42 B8R0.2 CC(C(N)C(OC)=O)=O AK100204 [1,1,0,0,0,0|1,0,0]=3 43 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.5 O=C(OCC)CC(N)=O AK-44357 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.5 O=C([O-])CC(OCC)=O AK-88661 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.23 CC(CC(N(C)C)=O)=O AK129044 [1,1,0,0,0,0|2,0,0]=4 47 B8R0.24 O=C(OC)CS(=O)(C)=O AK307503 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.3 O=C(OC)[C@H](N)COC AK174036 [1,1,0,0,0,0|1,0,1]=4 49 B8R0.6 O=C(OC)CCCOC AK151485 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.20 O=C(OC)C(OC)OC AK-47134 [0,1,0,0,1,0|0,0,2]=4 51 B10R0.46 C(C(C(OC)=O)=C)C(OC)=O AK-44748 [0,1,0,0,0,1|1,0,0]=3 52 B10R0.46 C([C@@H](O)CC(=O)OC)(=O)OC AK-50385 [0,1,0,0,0,1|1,0,0]=3 53 B10R0.46 N[C@@H](CC(OC)=O)C(OC)=O AK-41631 [0,1,0,0,0,1|1,0,0]=3 54 B10R0.46 O=C(OC)C(N)CC(OC)=O AK170024 [0,1,0,0,0,1|1,0,0]=3 55 B10R0.46 O=C(OC)[C@H](Br)CC(OC)=O AK-43703 [0,1,0,0,0,1|1,0,0]=3 56 B10R0.46 O=C(OC)[C@H](N)CC(OC)=O AK-50044 [0,1,0,0,0,1|1,0,0]=3 57 B10R0.108 O=C(OCC)CNC(OC)=O AK-93553 [0,1,0,0,0,1|1,0,0]=3 58 B10R0.134 O=C(OC)CP(OC)(OC)=O AK-91621 [0,2,0,0,0,0|2,0,0]=4 59 B10R0.2 O=C(OCC)CC(OCC)=O AK120896 [0,2,0,0,0,0|1,0,0]=3 60 B10R0.2 O=C(OCC)\C=C(N)\OCC AK116519 [0,2,0,0,0,0|2,0,0]=4 61 B10R0.18 CCCCC(CC(OC)=O)=O AK105368 [0,2,0,0,0,0|2,0,0]=4 62 B10R0.18 O=C(OC)CC(CCOC)=O AK-78860 [0,2,0,0,0,0|1,0,0]=3 63 B10R0.26 C(=O)(CC(=O)C(C)C)OCC AK-73120 [0,2,0,0,0,0|2,0,0]=4 64 B10R0.44 CC(C)CC(CC(OC)=O)=O AK153459 [0,2,0,0,0,0|2,0,0]=4 65 B10R0.44 CC(CC(CC(OC)=O)=O)=O AK-89583 [0,2,0,0,0,0|2,0,0]=4 66 B10R0.52 CC(C)(C)C(CC(OC)=O)=O AK109086 [0,2,0,0,0,0|2,0,0]=4 67 B8R1.4 N1CCC(CC1=O)=O AK-23571 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.4 O=C1CC(CCC1)=O AK-44688 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.4 O=C1CSCC(O1)=O AK307186 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.18 CC1=C(OC(O1)=O)C AK-49114 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [1,0,0,1,0,0|1,0,0]=3 72 B8R1.18 O=C1N[C@@H](C)C(O1)=O AK109319 [1,0,0,1,0,0|2,0,0]=4 73 B10R1.14 COC(C1NC(=O)CC1)=O AK-46671 [0,0,0,1,0,1|2,0,0]=4 74 B10R1.14 O=C(C1CC(CC1)=O)OC AK-39983 [0,0,0,1,0,1|2,0,0]=4 75 B10R1.14 O=C(C1CC(NC1)=O)OC AK-27649 [0,0,0,1,0,1|2,0,0]=4 76 B10R1.14 O=C([C@@H]1NC(OC1)=O)OC AK117840 [0,0,0,1,0,1|1,0,0]=3 77 B10R1.14 O=C([C@H]1CCC(N1)=O)OC AK-41780 [0,0,0,1,0,1|2,0,0]=4 78 B10R1.14 O=C1N[C@H](C(OC)=O)CC1 AK-27009 [0,0,0,1,0,1|2,0,0]=4 79 B10R1.149 COC(=O)C1CCNC1=O AK101744 [0,1,0,1,0,0|2,0,0]=4 80 B10R1.149 COC(=O)C1CCOC1=O AK-72749 [0,1,0,1,0,0|1,0,0]=3 81 B10R1.149 COC(=O)C1COCC1=O AK-67873 [0,1,0,1,0,0|1,0,0]=3 82 B10R1.149 COC(=O)C1SCCC1=O AK-79090 [0,1,0,1,0,0|2,0,0]=4 83 B10R1.149 O=C(C1C(CCC1)=O)OC AK-39183 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.134 C1(CC1)C(CC(=O)OC)=O AK-34681 [0,1,0,1,0,0|2,0,0]=4 85 B6R0.3 CC(N)C(OC)=O AK-48822 [1,0,0,0,1,0|1,0,1]=4 86 B6R0.3 CCC(=O)C(O)=O AK-48379 [1,0,0,0,1,0|1,0,0]=3 87 B6R0.3 COC(C)C(O)=O AK-49797 [1,0,0,0,1,0|1,0,1]=4 88 B6R0.3 C[C@H](OC)C(O)=O AK167072 [1,0,0,0,1,0|1,0,1]=4 89 B6R0.3 C\C=C(O)\C(O)=O AK149482 [1,0,0,0,1,0|1,0,1]=4 90 B6R0.3 N[C@@H](C)C(OC)=O AK-46616 [1,0,0,0,1,0|1,0,1]=4 91 B6R0.3 N[C@H](C)C(OC)=O AK-49396 [1,0,0,0,1,0|1,0,1]=4 92 B6R0.3 O=C([O-])C(OC)=O AK670985 [1,0,0,0,1,0|0,0,1]=3 93 B10R0.59 O=C(OC)CNCC(OC)=O AK-84133 [0,0,0,0,0,2|1,0,0]=3 94 B10R0.59 O=C(OC)\C=C\CC(OC)=O AK163249 [0,0,0,0,0,2|1,0,0]=3