0 B9R0.6 CC(Br)C(C(OCC)=O)=O AK-50500 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.6 CC(C(C)C(OCC)=O)=O AK-72552 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.6 CC(C)C(N)C(OCC)=O AK117096 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.6 N[C@H](C(C)C)C(OCC)=O AK-50082 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.6 [C@H](C)(O)[C@@H](N)C(=O)OCC AK-89761 [0,0,0,0,0,0|1,0,0]=1 5 B9R0.6 [C@H](N)(C(C)C)C(=O)OCC AK-46082 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.2 CC(C(C(OC)=O)N)C AK-41529 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.2 CC(C(N)C(OC)=O)=O AK100204 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.2 CC(C)C(N)C(OC)=O AK133088 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.2 CC(C)[C@H](O)C(OC)=O AK146226 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.2 CC(O)C(N)C(OC)=O AK-77084 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.2 C[C@@H](O)[C@@H](N)C(OC)=O AK162652 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.2 C[C@H](O)[C@H](N)C(OC)=O AK-90375 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.2 N[C@@H](C(C)C)C(OC)=O AK-47574 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.2 N[C@@H]([C@H](O)C)C(OC)=O AK-49761 [1,0,0,0,0,0|1,0,0]=2 15 B8R0.3 C(OC(C(=NO)Cl)=O)C AK-23903 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.3 C=C(CO)C(OCC)=O AK-45452 [1,0,0,0,0,0|0,0,2]=3 17 B8R0.3 CC(C#N)C(OCC)=O AK-98818 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [1,0,0,0,0,0|1,0,1]=3 19 B8R0.3 CCOC(=O)C(N)CO AK-81620 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.3 CCOC([C@@H](CO)N)=O AK-49218 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.3 CC[C@H](N)C(OCC)=O AK342326 [1,0,0,0,0,0|1,0,0]=2 22 B8R0.3 N[C@@H](CS)C(OCC)=O AK-49182 [1,0,0,0,0,0|1,1,0]=3 23 B8R0.3 O=C(OCC)C(CBr)=O AK-96394 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.3 [C@H](N)(CO)C(=O)OCC AK-49623 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [1,0,0,0,0,0|0,0,0]=1 27 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.5 O=C(OCC)CC(N)=O AK-44357 [1,0,0,0,0,0|1,0,2]=4 29 B8R0.5 O=C(OCC)CC(N)=S AK109338 [1,0,0,0,0,0|1,1,1]=4 30 B8R0.5 O=C([O-])CC(OCC)=O AK-88661 [1,0,0,0,0,0|1,0,2]=4 31 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [1,0,0,0,0,0|0,0,0]=1 32 B10R0.35 CCC(Br)C(C(OCC)=O)=O AK156443 [0,1,0,0,0,0|2,0,1]=4 33 B10R0.36 C(C)OC(=O)C(C(O)=O)(C)C AK-26109 [0,1,0,0,0,0|1,0,1]=3 34 B10R0.100 CCOC(=O)C(Br)C(C)(C)Br AK-90034 [0,1,0,0,0,0|2,0,0]=3 35 B10R0.101 CC(C(CC)C(OCC)=O)=O AK-46785 [0,1,0,0,0,0|0,0,2]=3 36 B10R0.26 C(=O)(CC(=O)C(C)C)OCC AK-73120 [0,0,0,0,0,1|2,0,1]=4 37 B10R0.32 CC(C)CC(N)C(OCC)=O AK153054 [0,0,0,0,0,1|2,0,0]=3 38 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC AK-49643 [0,0,0,0,0,1|2,0,0]=3 39 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [2,0,0,0,0,0|0,0,0]=2 41 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [2,0,0,0,0,0|0,0,0]=2 42 B7R0.2 O=C(O)CC(OC)=O AK-77136 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.5 CC(C)C(OCCl)=O AK163215 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.5 CCOC(=O)C(C)N AK-46063 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [2,0,0,0,0,0|0,0,0]=2 46 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.10 CCC(N(OC)C)=O AK130253 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.10 CCC(N)C(OC)=O AK115477 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.10 COC(O)C(=O)OC AK-33946 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.10 N[C@H](CO)C(OC)=O AK-44173 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.10 O=C(OC)C(Br)CO AK142725 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.10 O=C(OC)C(N)CO AK-44174 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.10 O=C(OC)[C@@H](C)CBr AK305462 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [2,0,0,0,0,0|0,0,0]=2 59 B7R0.10 O=C(OC)[C@@H](N)CO AK-49927 [2,0,0,0,0,0|1,0,0]=3 60 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [2,0,0,0,0,0|0,0,0]=2 61 B7R0.10 O=C(OC)[C@H](N)CS AK155885 [2,0,0,0,0,0|1,1,0]=4 62 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [2,0,0,0,0,0|1,0,0]=3 64 B7R0.10 [C@H](N)(CS)C(OC)=O AK-48929 [2,0,0,0,0,0|1,1,0]=4 65 B7R0.16 CC(C)C(C)C(O)=O AK-78535 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.16 CC(C)C(O)C(O)=O AK140040 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.16 CC(C)[C@H](N)C(O)=O AK-93420 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.16 CC(C)[C@H](O)C(O)=O AK146081 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O AK-44858 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.16 C[C@H](N(C)C)C(O)=O AK130686 [2,0,0,0,0,0|2,0,0]=4 71 B7R0.16 C[C@H](O)[C@@H](N)C(O)=O AK-76468 [2,0,0,0,0,0|1,0,0]=3 72 B7R0.16 N[C@@H]([C@@H](O)C)C(O)=O AK-51518 [2,0,0,0,0,0|1,0,0]=3 73 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O AK-81288 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O AK-46647 [2,0,0,0,0,0|1,0,0]=3 75 B7R0.16 N[C@H]([C@H](O)C)C(O)=O AK-47520 [2,0,0,0,0,0|1,0,0]=3 76 B7R0.7 C(C)OC(CCI)=O AK-46570 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.7 CC#CC(OCC)=O AK-44989 [2,0,0,0,0,0|0,0,2]=4 78 B7R0.7 CCOC(=O)CCBr AK-76993 [2,0,0,0,0,0|1,0,0]=3 79 B7R0.7 CCOC(=O)CCO AK-41251 [2,0,0,0,0,0|0,0,0]=2 80 B7R0.7 O=C(NCC)NCC AK116700 [2,0,0,0,0,0|2,0,0]=4 81 B7R0.7 O=C(OCC)CCN AK-49791 [2,0,0,0,0,0|1,0,0]=3 82 B7R0.7 O=C(OCC)CNC AK-44190 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.7 O=C(OCC)CNN AK-50556 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.7 O=C(OCC)OCCl AK128867 [2,0,0,0,0,0|2,0,0]=4 85 B9R0.25 COC([C@@H](N)C(C)(C)C)=O AK-46685 [1,1,0,0,0,0|2,0,0]=4 86 B9R0.27 N[C@@H]([C@@H](C)CC)C(OC)=O AK-41506 [1,1,0,0,0,0|2,0,0]=4 87 B9R0.28 CC(C(C)(C)C(OC)=O)=O AK-61369 [1,1,0,0,0,0|0,0,2]=4 88 B9R0.29 COC(C(C)=O)C(=O)OC AK100701 [1,1,0,0,0,0|0,0,2]=4 89 B9R0.29 [C@H](NC)(C(C)C)C(=O)OC AK-88957 [1,1,0,0,0,0|1,0,0]=3 90 B9R0.19 O=C(OCC)C(C)(C)CO AK-88575 [1,1,0,0,0,0|0,0,0]=2 91 B9R0.35 C(C)CC(C(OCC)=O)=O AK-46676 [1,1,0,0,0,0|1,0,1]=4 92 B9R0.35 CCOC(=N)C(=O)OCC AK-49026 [1,1,0,0,0,0|1,0,1]=4 93 B9R0.35 [C@H](N)(CCC)C(=O)OCC AK-41697 [1,1,0,0,0,0|1,0,0]=3 94 B9R0.37 CCC(C#N)C(OCC)=O AK113484 [1,1,0,0,0,0|0,0,1]=3 95 B9R0.34 CCC(CC(OCC)=O)=O AK-49828 [1,1,0,0,0,0|0,0,2]=4 96 B9R0.34 O=C(OCC)C[C@H](O)CCl AK-50772 [1,1,0,0,0,0|0,0,0]=2 97 B9R0.44 C(C)OC(CC(C)(C)N)=O AK-39600 [1,1,0,0,0,0|1,0,0]=3 98 B9R0.44 CCOC(=O)CC(C)(C)O AK-78216 [1,1,0,0,0,0|0,0,0]=2 99 B9R0.44 CCOC(=O)CS(C)(=O)=O AK-48256 [1,1,0,0,0,0|1,0,1]=4 100 B9R0.44 O=C(OCC)C[Si](C)(C)C AK106228 [1,1,0,0,0,0|1,1,0]=4 101 B9R0.53 O=C(OC(Cl)C)OC(C)C AK114647 [1,1,0,0,0,0|2,0,0]=4 102 B9R0.53 O=C(OC(Cl)C)OC(Cl)C AK402194 [1,1,0,0,0,0|2,0,0]=4 103 B11R0.308 N[C@@H](C(C)C)C(OC(C)(C)C)=O AK-41344 [0,2,0,0,0,0|2,0,0]=4 104 B11R0.308 [C@@H](N)(C(C)C)C(=O)OC(C)(C)C AK-49226 [0,2,0,0,0,0|2,0,0]=4 105 B11R0.177 O=C(OCC)C(C)C(OCC)=O AK400182 [0,2,0,0,0,0|0,0,2]=4 106 B9R1.101 O=C(OC)C(N)C1CC1 AK142881 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.101 O=C(OC)[C@@H](N)C1CC1 AK173986 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.138 O=C1OCC(C)(C)C1O AK114317 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.5 O=C1NCCCCC1N AK-77858 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.73 O=C(C1CNC1)OCC AK-51603 [1,0,0,1,0,0|1,0,0]=3 115 B9R1.74 C(C)OC(=O)C1(CC1)N AK-26900 [1,0,0,1,0,0|1,0,0]=3 116 B9R1.74 O=C(C1(Br)CC1)OCC AK-78046 [1,0,0,1,0,0|1,0,0]=3 117 B9R1.74 O=C(C1(C)CC1)OCC AK-32041 [1,0,0,1,0,0|0,0,0]=2 118 B9R1.48 O=C1NCCCC(N)C1 AK132100 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [1,0,0,1,0,0|2,0,0]=4 120 B11R1.15 O=C(C1CC(CC1)=O)OCC AK-86296 [0,0,0,1,0,1|0,0,2]=4 121 B11R1.15 O=C([C@@H]1CCC(N1)=O)OCC AK-44074 [0,0,0,1,0,1|0,0,2]=4 122 B11R1.15 O=C1CC[C@H](C(OCC)=O)N1 AK-50038 [0,0,0,1,0,1|0,0,2]=4 123 B11R1.821 O=C(C1CC(F)(F)C1)OCC AK550730 [0,0,0,1,0,1|2,0,0]=4 124 B11R1.199 C(OC(C1C(CCC1)=O)=O)C AK-47297 [0,1,0,1,0,0|0,0,2]=4 125 B11R1.199 CCOC(=O)C1COCC1=O AK-82248 [0,1,0,1,0,0|0,0,2]=4 126 B11R1.199 O=C(C1C(OCC1)=O)OCC AK-72736 [0,1,0,1,0,0|0,0,2]=4 127 B11R1.199 O=C(C1CNCC1=O)OCC AK100873 [0,1,0,1,0,0|0,0,2]=4 128 B11R1.199 O=C([C@H]1[C@@H](O)CCC1)OCC AK306178 [0,1,0,1,0,0|0,0,0]=2 129 B11R1.835 O=C(C1(C(OCC)=O)CC1)O AK-57931 [0,1,0,1,0,0|1,0,1]=4 130 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [1,0,0,0,0,1|0,0,2]=4 131 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [1,0,0,0,0,1|1,0,1]=4