0 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,0,0,0,0,0|0,0,0]=0 2 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O HY-78912 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-W012706 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O HY-N0771S2 [0,0,0,0,0,0|1,0,1]=2 6 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-134240 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-W009208 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC HY-W008464 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.2 CCC(C)CC(=O)O HY-W010513 [1,0,0,0,0,0|0,0,1]=2 10 B7R0.2 CCC(C)CC(=O)O HY-W010513R [1,0,0,0,0,0|0,0,1]=2 11 B7R0.2 CCC(C)OC(C)=O HY-158759 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.2 CCC(O)CC(=O)O HY-113004 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.2 NCC(O)CC(=O)O HY-B1427 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.5 CCCC(=O)C(=O)O HY-113098 [1,0,0,0,0,0|0,0,0]=1 16 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.5 CCOC(=O)C(N)=S HY-78216 [1,0,0,0,0,0|2,1,0]=4 22 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.5 NC(CCO)C(=O)O HY-W012870 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.5 NC(CCS)C(=O)O HY-W040821 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [1,0,0,0,0,0|2,0,1]=4 30 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [1,0,0,0,0,0|2,0,1]=4 32 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [1,0,0,0,0,0|2,0,1]=4 34 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.10 NC(CO)C(=O)NO HY-131894 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.10 [C@H](C)(CC)[C@H](N)CO HY-W015875 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [1,0,0,0,0,0|0,0,0]=1 41 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [1,0,0,0,0,0|1,0,1]=3 42 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [1,0,0,0,0,0|0,0,2]=3 43 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [1,0,0,0,0,0|1,0,1]=3 44 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [1,0,0,0,0,0|1,0,1]=3 45 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [1,0,0,0,0,0|1,0,1]=3 46 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [1,0,0,0,0,0|2,0,1]=4 49 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [1,0,0,0,0,0|2,0,1]=4 50 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [1,0,0,0,0,0|2,0,1]=4 51 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [1,0,0,0,0,0|2,0,1]=4 54 B9R0.27 CCC(C)C(=O)C(=O)O[Na] HY-W017386 [0,1,0,0,0,0|0,0,0]=1 55 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC HY-W016423 [0,1,0,0,0,0|1,0,1]=3 56 B9R0.29 CCC(C)C(CC)C(N)=O HY-121877 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O HY-N6858 [0,1,0,0,0,0|1,0,1]=3 58 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O HY-W010271 [0,1,0,0,0,0|1,0,1]=3 59 B9R1.41 CN1CCC[C@H]1C(=O)O HY-21754 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.110 NC(C(=O)O)C1CCC1 HY-20834 [0,0,0,1,0,0|1,0,1]=3 61 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O HY-W016424 [0,0,0,0,0,1|1,0,1]=3 62 B6R0.1 CCCC(=O)O[Na] HY-B0350A [2,0,0,0,0,0|2,0,0]=4 63 B6R0.2 CC(C)CC(=O)O HY-W012980 [2,0,0,0,0,0|0,0,1]=3 64 B6R0.2 CC(C)CC(N)=O HY-B1229 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [2,0,0,0,0,0|0,0,1]=3 66 B6R0.2 CC(N)CC(=O)O HY-W008833 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.2 CC(O)CC(=O)O HY-113378 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.2 CN(C)CC(=O)O HY-W001158 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.2 CN(C)CC(=O)O HY-Y0511 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.2 CN(C)CC(=O)O HY-Y0511R [2,0,0,0,0,0|1,0,1]=4 71 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.4 CCCCC(N)=O HY-W144037 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.4 CCNCC(=O)O HY-W141879 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.4 CCOCC(=O)O HY-W027555 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.4 CC\C=C\C(=O)O HY-W061674 [2,0,0,0,0,0|0,0,1]=3 78 B6R0.4 CSCCC(=O)O HY-101401 [2,0,0,0,0,0|1,0,1]=4 79 B6R0.4 NCCCC(=O)O HY-N0067 [2,0,0,0,0,0|1,0,1]=4 80 B6R0.4 NCCCC(=O)O HY-N0067R [2,0,0,0,0,0|1,0,1]=4 81 B6R0.4 NC\C=C\C(=O)O HY-100800 [2,0,0,0,0,0|1,0,1]=4 82 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [2,0,0,0,0,0|2,0,0]=4 83 B6R0.3 CC(CBr)C(=O)O HY-W015332 [2,0,0,0,0,0|1,0,0]=3 84 B6R0.3 CC(CN)C(=O)O HY-W012974 [2,0,0,0,0,0|1,0,0]=3 85 B6R0.3 CC(CN)C(=O)O HY-W012974R [2,0,0,0,0,0|1,0,0]=3 86 B6R0.3 CC(CO)C(=O)O HY-113126 [2,0,0,0,0,0|1,0,0]=3 87 B6R0.3 CCC(=O)C(=O)O HY-W007926 [2,0,0,0,0,0|0,0,0]=2 88 B6R0.3 CCC(=O)C(=O)O HY-W007926R [2,0,0,0,0,0|0,0,0]=2 89 B6R0.3 CCC(=O)C(C)=O HY-W012998 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.3 CCC(N)C(=O)O HY-W010590 [2,0,0,0,0,0|1,0,0]=3 91 B6R0.3 CCC(O)C(=O)O HY-113381 [2,0,0,0,0,0|1,0,0]=3 92 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [2,0,0,0,0,0|1,0,0]=3 96 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [2,0,0,0,0,0|1,0,0]=3 97 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [2,0,0,0,0,0|0,0,2]=4 98 B6R0.3 NC(CO)C(=O)O HY-Y0507 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.3 NC(CS)C(=O)O HY-W013651 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.3 NC(CS)C(=O)O HY-W016716 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.3 NCC(N)C(=O)O HY-W013674 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [2,0,0,0,0,0|2,0,0]=4 105 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [2,0,0,0,0,0|2,0,0]=4 108 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [2,0,0,0,0,0|2,0,0]=4 111 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [2,0,0,0,0,0|2,0,0]=4 113 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [2,0,0,0,0,0|2,0,0]=4 114 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [2,0,0,0,0,0|2,0,0]=4 119 B6R0.3 O=C(O)C(=O)CBr HY-19992 [2,0,0,0,0,0|1,0,0]=3 120 B6R0.3 O=C(O)C(=O)O[K] HY-W115775 [2,0,0,0,0,0|2,0,0]=4 121 B6R0.3 O=C(O)C(O)CO HY-W018035 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [2,0,0,0,0,0|1,0,0]=3 123 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [2,0,0,0,0,0|1,0,0]=3 124 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [2,0,0,0,0,0|2,0,0]=4 125 B8R0.5 CCCC(O)CC(=O)O HY-113836 [1,1,0,0,0,0|1,0,1]=4 126 B8R0.5 COCC(C)OC(C)=O HY-W133953 [1,1,0,0,0,0|2,0,0]=4 127 B8R0.16 CCN(CC)CC(=O)O HY-W051299 [1,1,0,0,0,0|1,0,1]=4 128 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [1,1,0,0,0,0|0,0,0]=2 129 B8R0.8 CCCCC(C)C(=O)O HY-128371 [1,1,0,0,0,0|1,0,1]=4 130 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [1,1,0,0,0,0|1,0,1]=4 131 B8R0.8 CCCCC(O)C(=O)O HY-75954 [1,1,0,0,0,0|0,0,2]=4 132 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [1,1,0,0,0,0|1,0,1]=4 133 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [1,1,0,0,0,0|1,0,1]=4 135 B8R0.8 CSCCC(O)C(=O)O HY-116688 [1,1,0,0,0,0|0,0,2]=4 136 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [1,1,0,0,0,0|1,0,1]=4 138 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [1,1,0,0,0,0|1,0,1]=4 139 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [1,1,0,0,0,0|1,0,1]=4 141 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [1,1,0,0,0,0|1,0,1]=4 143 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [1,1,0,0,0,0|1,0,1]=4 144 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [1,1,0,0,0,0|1,0,1]=4 145 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [1,1,0,0,0,0|1,0,1]=4 146 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [1,1,0,0,0,0|1,0,1]=4 147 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [1,1,0,0,0,0|1,0,1]=4 148 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [1,1,0,0,0,0|1,0,1]=4 149 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [1,1,0,0,0,0|1,0,1]=4 150 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [1,1,0,0,0,0|1,0,1]=4 151 B8R0.18 CNC(C(=O)O)C(C)C HY-W142140A [1,1,0,0,0,0|1,0,1]=4 152 B8R0.18 CN[C@@H](C(=O)O)C(C)C HY-20561A [1,1,0,0,0,0|1,0,1]=4 153 B8R0.27 CC(C)(C)C(N)C(=O)O HY-W002302 [1,1,0,0,0,0|1,0,1]=4 154 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O HY-W001954 [1,1,0,0,0,0|1,0,1]=4 155 B8R0.27 CC(C)(C)[C@H](N)C(=O)O HY-59140 [1,1,0,0,0,0|1,0,1]=4 156 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O HY-B0300 [1,1,0,0,0,0|1,0,1]=4 157 B8R0.27 CC(C)(S)[C@H](N)C(=O)O HY-116073 [1,1,0,0,0,0|1,0,1]=4 158 B8R0.37 [2H]C([2H])(C(=O)O)C(C)C HY-W012980S2 [1,1,0,0,0,0|1,0,1]=4 159 B10R0.13 CC(C)C(Br)C(=O)NC(N)=O HY-B2113 [0,1,0,0,0,1|2,0,0]=4 160 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.5 O=C1CCCCC1=O HY-W007347 [1,0,0,1,0,0|1,0,0]=3 162 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [1,0,0,1,0,0|1,0,0]=3 163 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [1,0,0,1,0,0|1,0,1]=4 164 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [1,0,0,1,0,0|1,0,1]=4 165 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [1,0,0,1,0,0|1,0,1]=4 166 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [1,0,0,1,0,0|1,0,1]=4 167 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [1,0,0,1,0,0|0,0,2]=4 169 B8R1.78 NC1(C(=O)O)CCC1 HY-30006 [1,0,0,1,0,0|1,0,1]=4 170 B8R1.50 N[C@@H]1CCN(O)C1=O HY-100822 [1,0,0,1,0,0|2,0,0]=4 171 B10R1.475 CCC1(C)CC(=O)NC1=O HY-B1378 [0,0,0,1,0,1|1,0,0]=3 172 B10R1.113 CN1CCC=C(C(=O)O)C1 HY-N2368 [0,0,0,1,0,1|2,0,0]=4 173 B10R1.23 NC(C(=O)O)C1CCCC1 HY-W040803 [0,1,0,1,0,0|1,0,1]=4 174 B10R0.57 CCC(C)C(=O)NCC(=O)O HY-W141919 [0,0,0,0,0,2|0,0,0]=2 175 B10R0.57 C\C=C(/C)C(=O)NCC(=O)O HY-W013652 [0,0,0,0,0,2|0,0,2]=4 176 B10R0.57 N[C@@H](CS)C(=O)NCC(=O)O HY-113110 [0,0,0,0,0,2|2,0,0]=4 177 B10R0.57 N[C@@H](CS)C(=O)NCC(=O)O HY-113110A [0,0,0,0,0,2|2,0,0]=4