0 B9R0.34 CCC(CC(OCC)=O)=O AK-49828 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.34 CCCC(CC(OC)=O)=O AK-93760 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.34 O=C(OCC)CC(NN)=O AK-81585 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.34 O=C(OCC)C[C@H](O)CCl AK-50772 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.34 O=C(OCC)\C=C(C)\C=O AK-45194 [0,0,0,0,0,0|1,0,3]=4 5 B8R0.1 CCOC(=O)CCCI AK102411 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.1 CCOC(=O)CCCN AK-47111 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.1 O=C(OCC)CCCBr AK-41609 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.5 O=C(OCC)CC(N)=O AK-44357 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.5 O=C(OCC)CC(N)=S AK109338 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.5 O=C([O-])CC(OCC)=O AK-88661 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [1,0,0,0,0,0|1,0,0]=2 15 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [1,0,0,0,0,0|1,0,1]=3 16 B8R0.19 CCC(CC(CC)=O)=O AK-88511 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [1,0,0,0,0,0|1,0,0]=2 18 B8R0.19 CNC(C)=CC(=O)OC AK-89549 [1,0,0,0,0,0|1,0,2]=4 19 B10R0.2 O=C(OCC)CC(OCC)=O AK120896 [0,1,0,0,0,0|1,0,1]=3 20 B10R0.2 O=C(OCC)C[C@H](O)CC#N AK-50683 [0,1,0,0,0,0|1,0,1]=3 21 B10R0.2 O=C(OCC)\C=C(N)\OCC AK116519 [0,1,0,0,0,0|1,0,2]=4 22 B10R0.26 C(=O)(CC(=O)C(C)C)OCC AK-73120 [0,1,0,0,0,0|1,0,1]=3 23 B10R0.26 O=C(OCC)CC(C(F)F)=O AK-61358 [0,1,0,0,0,0|2,0,1]=4 24 B10R0.26 O=C(OCC)CN(C)C(N)=N AK129324 [0,1,0,0,0,0|2,0,1]=4 25 B10R0.35 CCC(Br)C(C(OCC)=O)=O AK156443 [0,1,0,0,0,0|1,0,1]=3 26 B10R1.135 O=C(C1C(C=O)C1)OCC AK159087 [0,0,0,1,0,0|1,0,1]=3 27 B10R1.137 O=C(OCC)\C=C/1COC1 AK-80577 [0,0,0,1,0,0|1,0,2]=4 28 B10R1.149 COC(=O)C1CCOC1=O AK-72749 [0,0,0,1,0,0|2,0,1]=4 29 B8R0.3 C=C(CO)C(OCC)=O AK-45452 [0,0,0,0,1,0|1,0,2]=4 30 B8R0.3 CC(C#N)C(OCC)=O AK-98818 [0,0,0,0,1,0|1,0,1]=3 31 B8R0.3 CCC(C(OCC)=O)=O AK-75904 [0,0,0,0,1,0|1,0,1]=3 32 B8R0.3 CCOC(=O)C(N)CO AK-81620 [0,0,0,0,1,0|2,0,0]=3 33 B8R0.3 CCOC([C@@H](CO)N)=O AK-49218 [0,0,0,0,1,0|2,0,0]=3 34 B8R0.3 CC[C@H](N)C(OCC)=O AK342326 [0,0,0,0,1,0|1,0,0]=2 35 B8R0.3 N[C@@H](CS)C(OCC)=O AK-49182 [0,0,0,0,1,0|2,0,0]=3 36 B8R0.3 O=C(OCC)C(CBr)=O AK-96394 [0,0,0,0,1,0|2,0,1]=4 37 B8R0.3 [C@H](N)(CO)C(=O)OCC AK-49623 [0,0,0,0,1,0|2,0,0]=3 38 B10R0.108 O=C(OCC)CNC(OC)=O AK-93553 [0,0,0,0,0,1|2,0,1]=4 39 B7R0.3 CCCCC(NN)=O AK114657 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.3 O=C(OC)CCCBr AK-94853 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.3 O=C(OC)CCNC AK-85857 [2,0,0,0,0,0|1,0,0]=3 42 B7R0.7 C(C)OC(CCI)=O AK-46570 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.7 CC#CC(OCC)=O AK-44989 [2,0,0,0,0,0|0,0,2]=4 44 B7R0.7 CCOC(=O)CCBr AK-76993 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.7 CCOC(=O)CCO AK-41251 [2,0,0,0,0,0|1,0,0]=3 46 B7R0.7 O=C(NCC)NCC AK116700 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.7 O=C(OCC)CCN AK-49791 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.7 O=C(OCC)CNC AK-44190 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.7 O=C(OCC)CNN AK-50556 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.7 O=C(OCC)OCCl AK128867 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.2 CCC(N)CC(O)=O AK-45971 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.2 N[C@@H](CO)CC(O)=O AK-23884 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.2 O=C(O)C[C@H](N)CO AK-72526 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.2 OCC(OC(C)C)=O AK-48397 [2,0,0,0,0,0|2,0,0]=4 60 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [1,1,0,0,0,0|0,0,0]=2 61 B9R0.5 CCO/C=C/C(=O)OCC AK109543 [1,1,0,0,0,0|0,0,2]=4 62 B9R0.5 NCCCCC(=O)OCC AK-41723 [1,1,0,0,0,0|0,0,0]=2 63 B9R0.5 O=C(OCC)COCCCl AK-86508 [1,1,0,0,0,0|1,0,0]=3 64 B9R0.5 O=C(OCC)\C=C\OCC AK-45173 [1,1,0,0,0,0|0,0,2]=4 65 B9R0.18 C(C(CCCCl)=O)CCCl AK-46594 [1,1,0,0,0,0|2,0,0]=4 66 B9R0.35 C(C)CC(C(OCC)=O)=O AK-46676 [1,1,0,0,0,0|0,0,1]=3 67 B9R0.35 CCOC(=N)C(=O)OCC AK-49026 [1,1,0,0,0,0|1,0,1]=4 68 B9R0.35 [C@H](N)(CCC)C(=O)OCC AK-41697 [1,1,0,0,0,0|0,0,0]=2 69 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [1,1,0,0,0,0|0,0,1]=3 70 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [1,1,0,0,0,0|1,0,1]=4 71 B9R0.6 CC(Br)C(C(OCC)=O)=O AK-50500 [1,1,0,0,0,0|1,0,1]=4 72 B9R0.6 CC(C(C)C(OCC)=O)=O AK-72552 [1,1,0,0,0,0|1,0,1]=4 73 B9R0.6 CC(C)C(N)C(OCC)=O AK117096 [1,1,0,0,0,0|0,0,0]=2 74 B9R0.6 N[C@H](C(C)C)C(OCC)=O AK-50082 [1,1,0,0,0,0|0,0,0]=2 75 B9R0.6 [C@H](C)(O)[C@@H](N)C(=O)OCC AK-89761 [1,1,0,0,0,0|1,0,0]=3 76 B9R0.6 [C@H](N)(C(C)C)C(=O)OCC AK-46082 [1,1,0,0,0,0|0,0,0]=2 77 B9R0.44 C(C)OC(CC(C)(C)N)=O AK-39600 [1,1,0,0,0,0|0,0,0]=2 78 B9R0.44 CCOC(=O)CC(C)(C)O AK-78216 [1,1,0,0,0,0|0,0,0]=2 79 B9R0.44 CCOC(=O)CS(C)(=O)=O AK-48256 [1,1,0,0,0,0|2,0,0]=4 80 B9R0.44 O=C(OCC)C[Si](C)(C)C AK106228 [1,1,0,0,0,0|0,1,0]=3 81 B9R0.53 O=C(OC(Cl)C)OC(C)C AK114647 [1,1,0,0,0,0|1,0,0]=3 82 B9R0.53 O=C(OC(Cl)C)OC(Cl)C AK402194 [1,1,0,0,0,0|2,0,0]=4 83 B9R0.46 CCC(C)CCCCCO AK-82137 [1,1,0,0,0,0|1,0,1]=4 84 B9R0.26 O=C(OC)CC(OC)OC AK116970 [1,1,0,0,0,0|1,0,0]=3 85 B9R0.27 N[C@@H]([C@@H](C)CC)C(OC)=O AK-41506 [1,1,0,0,0,0|0,0,0]=2 86 B9R0.42 CC(C(CC(=O)OC)=O)C AK-46521 [1,1,0,0,0,0|1,0,1]=4 87 B9R0.42 CCC(OC(Cl)C(C)C)=O AK-80455 [1,1,0,0,0,0|2,0,0]=4 88 B9R0.42 O=C(O)[C@H](C)CC(OC)=O AK-93758 [1,1,0,0,0,0|1,0,1]=4 89 B9R0.19 O=C(OCC)C(C)(C)CO AK-88575 [0,1,0,0,1,0|1,0,0]=3 90 B9R0.37 CCC(C#N)C(OCC)=O AK113484 [0,1,0,0,1,0|0,0,1]=3 91 B11R0.9 O=C(OCC)\C=C\C(OC)OC AK122860 [0,1,0,0,0,1|1,0,1]=4 92 B11R0.43 CCOC(=O)C(=O)CC(=O)CC AK-51317 [0,1,0,0,0,1|1,0,1]=4 93 B11R0.62 O=C(OCC)CCC(OCC)=O AK151972 [0,1,0,0,0,1|1,0,1]=4 94 B11R0.177 O=C(OCC)C(C)C(OCC)=O AK400182 [0,2,0,0,0,0|1,0,1]=4 95 B11R0.177 O=C(OCC)C(N)C(OCC)=O AK-45984 [0,2,0,0,0,0|1,0,1]=4 96 B11R0.354 O=C(OCC)CP(OC)(OC)=O AK113540 [0,2,0,0,0,0|2,0,0]=4 97 B11R0.119 C(=O)(OC(C)(C)C)N[C@H](C)CO AK-44877 [0,2,0,0,0,0|2,0,0]=4 98 B11R0.119 CC(CN)NC(=O)OC(C)(C)C AK109743 [0,2,0,0,0,0|2,0,0]=4 99 B11R0.119 C[C@H](NC(OC(C)(C)C)=O)CN AK-41549 [0,2,0,0,0,0|2,0,0]=4 100 B11R0.119 O=C(OC(C)(C)C)NC(C)CO AK-68631 [0,2,0,0,0,0|2,0,0]=4 101 B11R0.119 O=C(OC(C)(C)C)N[C@H](C)CN AK-77631 [0,2,0,0,0,0|2,0,0]=4 102 B11R0.119 [C@@H](NC(OC(C)(C)C)=O)(CO)C AK-44106 [0,2,0,0,0,0|2,0,0]=4 103 B9R1.2 O=C1NCCC(CO)C1 AK170344 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.2 O=C1NCCN(CC)C1 AK480961 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.50 O=C1CCCCCCC1 AK-96432 [1,0,0,1,0,0|1,0,0]=3 107 B9R1.50 O=C1NCCCCCC1 AK-84407 [1,0,0,1,0,0|1,0,0]=3 108 B9R1.73 O=C(C1CNC1)OCC AK-51603 [1,0,0,1,0,0|1,0,0]=3 109 B9R1.38 CC1(C(OC(C1)=O)=O)C AK-46649 [1,0,0,1,0,0|1,0,1]=4 110 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [1,0,0,1,0,0|1,0,0]=3 111 B9R1.66 O=C1CC(C)(C)NCC1 AK158739 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.66 O=C1CC(C)(C)OCC1 AK-25320 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.74 C(C)OC(=O)C1(CC1)N AK-26900 [0,0,0,1,1,0|1,0,0]=3 114 B9R1.74 O=C(C1(Br)CC1)OCC AK-78046 [0,0,0,1,1,0|1,0,0]=3 115 B9R1.74 O=C(C1(C)CC1)OCC AK-32041 [0,0,0,1,1,0|0,0,0]=2 116 B11R1.15 O=C(C1CC(CC1)=O)OCC AK-86296 [0,0,0,1,0,1|1,0,1]=4 117 B11R1.15 O=C(N1CC(CC1)=O)OCC AK-44543 [0,0,0,1,0,1|1,0,1]=4 118 B11R1.15 O=C([C@@H]1CCC(N1)=O)OCC AK-44074 [0,0,0,1,0,1|1,0,1]=4 119 B11R1.15 O=C1CC[C@H](C(OCC)=O)N1 AK-50038 [0,0,0,1,0,1|1,0,1]=4 120 B11R1.30 CCOC(=O)CC1CCNC1 AK-64695 [0,1,0,1,0,0|0,0,0]=2 121 B11R1.30 O=C(OCC)CC1OCCC1 AK154820 [0,1,0,1,0,0|0,0,0]=2 122 B11R1.199 C(OC(C1C(CCC1)=O)=O)C AK-47297 [0,1,0,1,0,0|1,0,1]=4 123 B11R1.199 CCOC(=O)C1COCC1=O AK-82248 [0,1,0,1,0,0|1,0,1]=4 124 B11R1.199 O=C(C1C(OCC1)=O)OCC AK-72736 [0,1,0,1,0,0|1,0,1]=4 125 B11R1.199 O=C(C1CNCC1=O)OCC AK100873 [0,1,0,1,0,0|1,0,1]=4 126 B11R1.199 O=C([C@H]1[C@@H](O)CCC1)OCC AK306178 [0,1,0,1,0,0|1,0,0]=3 127 B11R1.334 C(C(C1CC1)=O)C(OCC)=O AK-28517 [0,1,0,1,0,0|1,0,1]=4 128 B11R1.1180 CCC1(C)CC(=O)NC(=O)C1 AK-81730 [0,1,0,1,0,0|1,0,1]=4 129 B11R2.432 CN1C2CC(=O)CC1CC2 AK-26080 [0,0,0,2,0,0|2,0,0]=4 130 B7R0.5 CC(C)C(OCCl)=O AK163215 [1,0,0,0,1,0|1,0,0]=3 131 B7R0.5 CCOC(=O)C(C)N AK-46063 [1,0,0,0,1,0|1,0,0]=3 132 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [1,0,0,0,1,0|1,0,0]=3 133 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [1,0,0,0,1,0|1,0,0]=3 134 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [1,0,0,0,1,0|1,0,0]=3 135 B7R0.10 CCC(N(OC)C)=O AK130253 [1,0,0,0,1,0|2,0,0]=4 136 B7R0.10 CCC(N)C(OC)=O AK115477 [1,0,0,0,1,0|1,0,0]=3 137 B7R0.10 CC[C@@H](C(OC)=O)N AK342755 [1,0,0,0,1,0|1,0,0]=3 138 B7R0.10 CC[C@@H](N)C(OC)=O AK115954 [1,0,0,0,1,0|1,0,0]=3 139 B7R0.10 CC[C@H](N)C(OC)=O AK158355 [1,0,0,0,1,0|1,0,0]=3 140 B7R0.10 COC(O)C(=O)OC AK-33946 [1,0,0,0,1,0|2,0,0]=4 141 B7R0.10 N[C@H](CO)C(OC)=O AK-44173 [1,0,0,0,1,0|2,0,0]=4 142 B7R0.10 O=C(OC)C(Br)CO AK142725 [1,0,0,0,1,0|2,0,0]=4 143 B7R0.10 O=C(OC)C(N)CO AK-44174 [1,0,0,0,1,0|2,0,0]=4 144 B7R0.10 O=C(OC)[C@@H](C)CBr AK305462 [1,0,0,0,1,0|1,0,0]=3 145 B7R0.10 O=C(OC)[C@@H](C)CO AK-86494 [1,0,0,0,1,0|1,0,0]=3 146 B7R0.10 O=C(OC)[C@@H](N)CO AK-49927 [1,0,0,0,1,0|2,0,0]=4 147 B7R0.10 O=C(OC)[C@H](C)CO AK-86493 [1,0,0,0,1,0|1,0,0]=3 148 B7R0.10 O=C(OC)[C@H](N)CS AK155885 [1,0,0,0,1,0|2,0,0]=4 149 B7R0.10 O=C(OC)[C@H](O)CO AK167363 [1,0,0,0,1,0|2,0,0]=4 150 B7R0.10 O[C@H](C(=O)OC)CO AK-39083 [1,0,0,0,1,0|2,0,0]=4 151 B7R0.10 [C@H](N)(CS)C(OC)=O AK-48929 [1,0,0,0,1,0|2,0,0]=4