0 B7R0.16 CC(C(=O)O)C(=O)O HY-103395 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,0,0,0,0,0|1,0,0]=1 5 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,0,0,0,0,0|1,0,0]=1 7 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,0,0,0,0,0|0,0,0]=0 9 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,0,0,0,0,0|0,0,0]=0 10 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,0,0,0,0,0|0,0,0]=0 11 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,0,0,0,0,0|0,0,0]=0 12 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,0,0,0,0,0|0,0,0]=0 13 B7R0.16 NC(C(=O)O)C(=O)O HY-112052 [0,0,0,0,0,0|1,0,1]=2 14 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,0,0,0,0,0|0,0,0]=0 15 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,0,0,0,0,0|0,0,0]=0 16 B6R0.2 CC(C)CB(O)O HY-W000978 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.2 CC(O)CC(=O)O HY-113378 [1,0,0,0,0,0|0,0,0]=1 22 B6R0.2 CN(C)CC(=O)O HY-W001158 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.2 CN(C)CC(=O)O HY-Y0511 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.2 CN(C)CC(=O)O HY-Y0511R [1,0,0,0,0,0|2,0,0]=3 25 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,0,0,0,0,0|0,0,0]=1 26 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,0,0,0,0,0|0,0,0]=1 28 B6R0.2 O=C(O)[Ca]C(=O)O HY-Y0262D [1,0,0,0,0,0|2,0,1]=4 29 B6R0.2 O=C(O)[SnH2]C(=O)O HY-W105856 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.3 CC(C)[C@H](N)CO HY-30167A [1,0,0,0,0,0|1,0,1]=3 31 B6R0.3 CC(CBr)C(=O)O HY-W015332 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.3 CC(CN)C(=O)O HY-W012974 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.3 CC(CN)C(=O)O HY-W012974R [1,0,0,0,0,0|2,0,0]=3 34 B6R0.3 CC(CO)C(=O)O HY-113126 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.3 CCC(=O)C(=O)O HY-W007926 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.3 CCC(=O)C(=O)O HY-W007926R [1,0,0,0,0,0|1,0,1]=3 37 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.3 CCC(N)C(=O)O HY-W010590 [1,0,0,0,0,0|0,0,0]=1 39 B6R0.3 CCC(O)C(=O)O HY-113381 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [1,0,0,0,0,0|0,0,0]=1 41 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.3 NC(CO)C(=O)O HY-Y0507 [1,0,0,0,0,0|0,0,0]=1 48 B6R0.3 NC(CS)C(=O)O HY-W013651 [1,0,0,0,0,0|0,1,0]=2 49 B6R0.3 NC(CS)C(=O)O HY-W016716 [1,0,0,0,0,0|0,1,0]=2 50 B6R0.3 NCC(N)C(=O)O HY-W013674 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [1,0,0,0,0,0|0,0,0]=1 54 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [1,0,0,0,0,0|0,0,0]=1 56 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [1,0,0,0,0,0|0,0,0]=1 57 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [1,0,0,0,0,0|0,0,0]=1 58 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [1,0,0,0,0,0|0,1,0]=2 59 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [1,0,0,0,0,0|0,1,0]=2 60 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [1,0,0,0,0,0|0,1,0]=2 61 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [1,0,0,0,0,0|0,1,0]=2 62 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [1,0,0,0,0,0|0,1,0]=2 63 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [1,0,0,0,0,0|1,0,0]=2 64 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [1,0,0,0,0,0|0,0,0]=1 65 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [1,0,0,0,0,0|0,1,0]=2 66 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [1,0,0,0,0,0|0,1,0]=2 67 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [1,0,0,0,0,0|0,1,0]=2 68 B6R0.3 O=C(O)C(=O)CBr HY-19992 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.3 O=C(O)C(O)CO HY-W018035 [1,0,0,0,0,0|1,0,0]=2 70 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [1,0,0,0,0,0|0,0,0]=1 72 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [1,0,0,0,0,0|2,0,0]=3 73 B8R0.2 CC(C)C(=O)C(=O)O[Na] HY-W006057A [0,1,0,0,0,0|2,0,1]=4 74 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,1,0,0,0,0|2,0,1]=4 76 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O HY-78912 [0,1,0,0,0,0|1,0,0]=2 77 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771 [0,1,0,0,0,0|1,0,0]=2 78 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-W012706 [0,1,0,0,0,0|1,0,0]=2 79 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O HY-N0771S2 [0,1,0,0,0,0|1,0,0]=2 80 B8R0.2 COC(=O)C(N)C(C)C HY-W012519 [0,1,0,0,0,0|1,0,0]=2 81 B8R0.2 COC(=O)C(N)C(C)O HY-W008086A [0,1,0,0,0,0|0,0,0]=1 82 B8R0.2 COC(=O)[C@H](N)C(C)C HY-79708A [0,1,0,0,0,0|1,0,0]=2 83 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-134240 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-W009208 [0,1,0,0,0,0|1,0,0]=2 85 B8R0.2 [13CH3]C([13CH3])C(=O)C(=O)O[Na] HY-W006057AS17 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC HY-W008464 [0,1,0,0,0,0|0,0,0]=1 87 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C HY-W010077 [0,1,0,0,0,0|1,0,0]=2 88 B8R0.18 CCC(C(=O)O)C(=O)O HY-34740 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.18 CNC(C(=O)O)C(C)C HY-W142140A [0,1,0,0,0,0|1,0,0]=2 90 B8R0.18 CN[C@@H](C(=O)O)C(C)C HY-20561A [0,1,0,0,0,0|1,0,0]=2 91 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O HY-W010366 [0,1,0,0,0,0|0,0,0]=1 92 B8R0.27 CC(C)(C)C(N)C(=O)O HY-W002302 [0,1,0,0,0,0|1,0,0]=2 93 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O HY-W001954 [0,1,0,0,0,0|1,0,0]=2 94 B8R0.27 CC(C)(C)[C@H](N)C(=O)O HY-59140 [0,1,0,0,0,0|1,0,0]=2 95 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O HY-B0300 [0,1,0,0,0,0|0,1,0]=2 96 B8R0.27 CC(C)(S)[C@H](N)C(=O)O HY-116073 [0,1,0,0,0,0|0,1,0]=2 97 B8R0.27 [2H]C([2H])([2H])[C@@H](N)C(=O)O HY-41700S [0,1,0,0,0,0|2,0,0]=3 98 B8R0.27 [2H]C([2H])([2H])[C@H](N)C(=O)O HY-N0229S12 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.37 CC(C)(C(=O)O)C(=O)O HY-W007894 [0,1,0,0,0,0|2,0,1]=4 100 B8R0.37 [2H]C([2H])(C(=O)O)C(C)C HY-W012980S2 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [0,0,0,1,0,0|1,0,0]=2 102 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066 [0,0,0,0,0,1|1,0,2]=4 103 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066R [0,0,0,0,0,1|1,0,2]=4 104 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,0,0,0,0,1|2,0,1]=4 105 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,0,0,0,0,1|2,0,1]=4 106 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,0,0,0,0,1|1,0,0]=2 107 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,0,0,0,0,1|2,0,0]=3 108 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,0,0,0,0,1|2,0,0]=3 109 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,0,0,0,0,1|1,0,0]=2 110 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,0,0,0,0,1|1,0,0]=2 111 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,0,0,0,0,1|1,0,0]=2 112 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,0,0,0,0,1|2,0,0]=3 113 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,0,0,0,0,1|1,0,0]=2 114 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,0,0,0,0,1|2,0,0]=3 115 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,0,0,0,0,1|2,0,0]=3 116 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,0,0,0,0,1|1,0,0]=2 117 B8R0.23 CC(CC(=O)O)C(=O)O HY-W010381 [0,0,0,0,0,1|2,0,1]=4 118 B8R0.23 CS(=O)C[C@H](N)C(=O)O HY-W017404 [0,0,0,0,0,1|1,0,1]=3 119 B8R0.23 NC(=O)CC(N)C(=O)O HY-W017442 [0,0,0,0,0,1|1,0,2]=4 120 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378 [0,0,0,0,0,1|1,0,2]=4 121 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667R [0,0,0,0,0,1|1,0,2]=4 122 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-W017443 [0,0,0,0,0,1|1,0,2]=4 123 B8R0.23 NC(CC(=O)O)C(=O)O HY-W015824 [0,0,0,0,0,1|1,0,1]=3 124 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666R [0,0,0,0,0,1|1,0,1]=3 125 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] HY-N0666C [0,0,0,0,0,1|1,0,2]=4 126 B8R0.23 N[C@@H](CS(=O)O)C(=O)O HY-100804 [0,0,0,0,0,1|2,0,0]=3 127 B8R0.23 N[C@@H](CS(=O)O)C(=O)O HY-W017230 [0,0,0,0,0,1|2,0,0]=3 128 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311 [0,0,0,0,0,1|2,0,1]=4 129 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311R [0,0,0,0,0,1|2,0,1]=4 130 B8R0.23 O=C(O)CC(S)C(=O)O HY-106381 [0,0,0,0,0,1|2,0,1]=4 131 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558 [0,0,0,0,0,1|2,0,1]=4 132 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558R [0,0,0,0,0,1|2,0,1]=4 133 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069 [0,0,0,0,0,1|2,0,1]=4 134 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O HY-N0667S2 [0,0,0,0,0,1|1,0,2]=4 135 B8R0.23 [15NH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O HY-N0666S1 [0,0,0,0,0,1|1,0,1]=3 136 B5R0.1 C#CCC(=O)O HY-W004784 [2,0,0,0,0,0|0,0,2]=4 137 B5R0.1 C=CCC(=O)O HY-W068697 [2,0,0,0,0,0|0,0,2]=4 138 B5R0.1 CC(=O)CCO HY-W051287 [2,0,0,0,0,0|1,0,0]=3 139 B5R0.1 CC(=O)NCO HY-W024564 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.1 CC(O)CCO HY-77490A [2,0,0,0,0,0|0,0,1]=3 141 B5R0.1 CCCB(O)O HY-W007470 [2,0,0,0,0,0|1,0,1]=4 142 B5R0.1 CCCC(N)=O HY-W088319 [2,0,0,0,0,0|1,0,0]=3 143 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.1 CCOC(N)=O HY-B1207R [2,0,0,0,0,0|2,0,0]=4 145 B5R0.1 CN(C)CC=O HY-100061A [2,0,0,0,0,0|2,0,0]=4 146 B5R0.1 CNCC(=O)O HY-101037 [2,0,0,0,0,0|1,0,0]=3 147 B5R0.1 CNCC(=O)O HY-101037R [2,0,0,0,0,0|1,0,0]=3 148 B5R0.1 COCC(=O)O HY-Y1009 [2,0,0,0,0,0|1,0,0]=3 149 B5R0.1 C[C@@H](O)CCO HY-77490 [2,0,0,0,0,0|0,0,1]=3 150 B5R0.1 C\C=C\C(=O)O HY-Y1644 [2,0,0,0,0,0|0,0,2]=4 151 B5R0.1 NCCC(=O)O HY-N0230 [2,0,0,0,0,0|1,0,0]=3 152 B5R0.1 NCCS(=O)O HY-100803 [2,0,0,0,0,0|2,0,0]=4 153 B5R0.1 NOCC(=O)O HY-107994 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.3 CCC(C)C=O HY-W020678 [2,0,0,0,0,0|1,0,0]=3 155 B5R0.3 O=CC(O)CO HY-128748 [2,0,0,0,0,0|1,0,0]=3 156 B5R0.3 O=C[C@@H](O)CO HY-W008504 [2,0,0,0,0,0|1,0,0]=3 157 B5R0.3 OCC(O)CO HY-B1659 [2,0,0,0,0,0|1,0,1]=4 158 B5R0.3 OCC(O)CO HY-B1659R [2,0,0,0,0,0|1,0,1]=4 159 B5R0.5 CC(=O)C(=O)O HY-Y0781 [2,0,0,0,0,0|1,0,1]=4 160 B5R0.5 CC(=O)C(=O)O HY-Y0781R [2,0,0,0,0,0|1,0,1]=4 161 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [2,0,0,0,0,0|1,0,1]=4 162 B5R0.5 CC(N)C(=O)O HY-N2362 [2,0,0,0,0,0|0,0,0]=2 163 B5R0.5 CC(O)C(=O)O HY-B1530 [2,0,0,0,0,0|1,0,0]=3 164 B5R0.5 CC(O)C(=O)O HY-B2227 [2,0,0,0,0,0|1,0,0]=3 165 B5R0.5 CC(O)C(=O)O HY-B2227D [2,0,0,0,0,0|1,0,0]=3 166 B5R0.5 CC(O)C(=O)O HY-B2227R [2,0,0,0,0,0|1,0,0]=3 167 B5R0.5 CC(O)C(=O)O HY-W250313 [2,0,0,0,0,0|1,0,0]=3 168 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [2,0,0,0,0,0|1,0,1]=4 169 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [2,0,0,0,0,0|1,0,1]=4 170 B5R0.5 CC(O)C(C)O HY-128387 [2,0,0,0,0,0|1,0,0]=3 171 B5R0.5 CC(O)C(C)O HY-128387R [2,0,0,0,0,0|1,0,0]=3 172 B5R0.5 C[C@@H](O)[C@@H](C)O HY-W015954 [2,0,0,0,0,0|1,0,0]=3 173 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [2,0,0,0,0,0|0,0,0]=2 174 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [2,0,0,0,0,0|0,0,0]=2 175 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [2,0,0,0,0,0|1,0,0]=3 176 B5R0.5 NC(=O)C(=O)O HY-W013032 [2,0,0,0,0,0|0,0,2]=4 177 B5R0.5 O=C(O)C(=O)O HY-W041831 [2,0,0,0,0,0|1,0,1]=4 178 B5R0.5 O=C(O)C(=O)O HY-Y0262 [2,0,0,0,0,0|1,0,1]=4 179 B5R0.5 O=C(O)C(=O)O HY-Y0262A [2,0,0,0,0,0|1,0,1]=4 180 B5R0.5 O=C(O)C(=O)O HY-Y1297 [2,0,0,0,0,0|1,0,1]=4 181 B5R0.5 O=C(O)C(Br)Br HY-23399 [2,0,0,0,0,0|2,0,0]=4 182 B5R0.5 O=C(O)C(O)O HY-W019724 [2,0,0,0,0,0|1,0,0]=3 183 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [1,1,0,0,0,0|0,0,2]=4 184 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [1,1,0,0,0,0|0,0,0]=2 185 B7R0.2 CCC(C)CC(=O)O HY-W010513 [1,1,0,0,0,0|1,0,0]=3 186 B7R0.2 CCC(C)CC(=O)O HY-W010513R [1,1,0,0,0,0|1,0,0]=3 187 B7R0.2 CCC(O)CC(=O)O HY-113004 [1,1,0,0,0,0|0,0,0]=2 188 B7R0.2 CN(CC(=O)O)N=O HY-W188178 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [1,1,0,0,0,0|0,0,2]=4 190 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [1,1,0,0,0,0|0,0,0]=2 191 B7R0.2 NCC(O)CC(=O)O HY-B1427 [1,1,0,0,0,0|0,0,0]=2 192 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [1,1,0,0,0,0|1,0,0]=3 193 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [1,1,0,0,0,0|0,0,0]=2 194 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [1,1,0,0,0,0|0,0,0]=2 195 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [1,1,0,0,0,0|0,0,0]=2 196 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [1,1,0,0,0,0|0,0,2]=4 197 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [1,1,0,0,0,0|0,0,0]=2 198 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [1,1,0,0,0,0|1,0,1]=4 199 B7R0.9 CC(O)CC(C)(C)O HY-B0903R [1,1,0,0,0,0|1,0,1]=4 200 B7R0.9 C[N+](C)(C)CC(=O)O HY-N0739 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.9 O=C(O)CP(=O)(O)O HY-128744 [1,1,0,0,0,0|2,0,0]=4 202 B7R0.5 C#CCC(N)C(=O)O HY-W040124 [1,1,0,0,0,0|0,0,1]=3 203 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [1,1,0,0,0,0|1,0,1]=4 204 B7R0.5 C=CC[C@H](N)C(=O)O HY-W015595 [1,1,0,0,0,0|0,0,1]=3 205 B7R0.5 CCCC(=O)C(=O)O HY-113098 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,1,0,0,0,0|1,0,0]=3 207 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,1,0,0,0,0|0,0,0]=2 208 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,1,0,0,0,0|0,0,0]=2 209 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,1,0,0,0,0|0,0,0]=2 210 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [1,1,0,0,0,0|0,0,0]=2 212 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [1,1,0,0,0,0|0,0,0]=2 213 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [1,1,0,0,0,0|0,0,0]=2 214 B7R0.5 N#CC[C@H](N)C(=O)O HY-125773 [1,1,0,0,0,0|0,0,1]=3 215 B7R0.5 NC(CCO)C(=O)O HY-W012870 [1,1,0,0,0,0|0,0,0]=2 216 B7R0.5 NC(CCS)C(=O)O HY-W040821 [1,1,0,0,0,0|0,0,0]=2 217 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [1,1,0,0,0,0|0,0,0]=2 218 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [1,1,0,0,0,0|0,0,0]=2 219 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [1,1,0,0,0,0|0,0,0]=2 220 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [1,1,0,0,0,0|0,0,0]=2 221 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [1,1,0,0,0,0|0,0,0]=2 222 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [1,1,0,0,0,0|0,0,0]=2 223 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [1,1,0,0,0,0|0,0,0]=2 224 B7R0.5 [C@@H](N)(CC=C)C(=O)O HY-W012907 [1,1,0,0,0,0|0,0,1]=3 225 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [1,1,0,0,0,0|0,0,0]=2 226 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [1,1,0,0,0,0|1,0,1]=4 227 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.10 COC(=O)C(N)CO HY-W013622 [1,1,0,0,0,0|0,0,0]=2 229 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [1,1,0,0,0,0|0,0,0]=2 230 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [1,1,0,0,0,0|0,1,0]=3 231 B7R0.10 COC(=O)[C@H](N)CS HY-W018865 [1,1,0,0,0,0|0,1,0]=3 232 B7R0.10 NC(CO)C(=O)NO HY-131894 [1,1,0,0,0,0|0,0,0]=2 233 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [1,1,0,0,0,0|1,0,0]=3 234 B7R0.10 O=C[C@H](O)[C@H](O)CO HY-116956 [1,1,0,0,0,0|1,0,0]=3 235 B7R0.10 OC[C@H](O)[C@H](O)CO HY-100551 [1,1,0,0,0,0|1,0,1]=4 236 B7R0.10 OC[C@H](O)[C@H](O)CO HY-100551R [1,1,0,0,0,0|1,0,1]=4 237 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [1,1,0,0,0,0|0,0,0]=2 238 B7R0.10 [C@@H](O)(CO)[C@H](O)CO HY-W012846 [1,1,0,0,0,0|1,0,1]=4 239 B7R0.10 [C@H](C)(CC)[C@H](N)CO HY-W015875 [1,1,0,0,0,0|1,0,1]=4 240 B7R0.13 CCC(C)(C)C(=O)O HY-W015881 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.13 CCC(C)(O)C(=O)O HY-W015874 [1,1,0,0,0,0|1,0,0]=3 242 B7R0.13 CC[C@](C)(N)C(=O)O HY-W018850 [1,1,0,0,0,0|0,0,0]=2 243 B7R0.13 CNC(C)(C)C(=O)O HY-134452 [1,1,0,0,0,0|2,0,0]=4 244 B7R0.13 C[C@](N)(CO)C(=O)O HY-W008467 [1,1,0,0,0,0|0,0,0]=2 245 B7R0.15 CCC(CC)C(=O)O HY-W004154 [1,1,0,0,0,0|1,0,0]=3 246 B7R0.15 [C@@H](CO)(NC)C(=O)O HY-W012872 [1,1,0,0,0,0|0,0,0]=2 247 B9R0.11 CC(N)(CC(=O)O)C(=O)O HY-W142119 [0,1,0,0,0,1|1,0,1]=4 248 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O HY-W016424 [0,1,0,0,0,1|1,0,0]=3 249 B9R0.23 COC(=O)C(O)CC(C)C HY-22167 [0,1,0,0,0,1|2,0,0]=4 250 B9R0.23 COC(=O)[C@H](N)CC(C)C HY-W016425 [0,1,0,0,0,1|1,0,0]=3 251 B9R0.23 N[C@@H](CC(=O)O)C(=O)O[K] HY-N0666A [0,1,0,0,0,1|1,0,1]=4 252 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC HY-W016427 [0,1,0,0,0,1|1,0,0]=3 253 B9R0.39 CNC(CC(=O)O)C(=O)O HY-W017500 [0,1,0,0,0,1|1,0,1]=4 254 B9R0.39 CN[C@H](CC(=O)O)C(=O)O HY-17551 [0,1,0,0,0,1|1,0,1]=4 255 B9R0.42 COC(=O)C[C@H](N)C(=O)O HY-Y1801 [0,1,0,0,0,1|0,0,2]=4 256 B9R0.42 N[C@@H](CC(=O)O[Na])C(=O)O HY-W140900 [0,1,0,0,0,1|1,0,1]=4 257 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O HY-79415 [0,1,0,0,0,1|1,0,0]=3 258 B9R0.57 NC(CP(=O)(O)O)C(=O)O HY-100786 [0,1,0,0,0,1|2,0,0]=4 259 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O HY-124009A [0,1,0,0,0,1|2,0,0]=4 260 B9R0.79 CC(C(=O)O)C(N)C(=O)O HY-W017501 [0,1,0,0,0,1|1,0,1]=4 261 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O HY-N6858 [0,1,0,0,0,1|0,0,0]=2 262 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O HY-W010271 [0,1,0,0,0,1|0,0,0]=2 263 B9R0.6 CCOC(=O)C(N)C(C)C HY-W099254 [0,2,0,0,0,0|1,0,0]=3 264 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O HY-W040333 [0,2,0,0,0,0|0,0,0]=2 265 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C HY-79271 [0,2,0,0,0,0|2,0,0]=4 266 B9R0.25 COC(=O)C(N)C(F)(F)F HY-W050444 [0,2,0,0,0,0|2,0,0]=4 267 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C HY-I0172 [0,2,0,0,0,0|1,0,0]=3 268 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC HY-W016423 [0,2,0,0,0,0|1,0,0]=3 269 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@H](O)CO HY-128753 [0,2,0,0,0,0|1,0,1]=4 270 B9R0.27 O=C[C@@H](O)[C@H](O)[C@@H](O)CO HY-78139 [0,2,0,0,0,0|1,0,1]=4 271 B9R0.27 O=C[C@@H](O)[C@H](O)[C@H](O)CO HY-N0059 [0,2,0,0,0,0|1,0,1]=4 272 B9R0.27 O=C[C@@H](O)[C@H](O)[C@H](O)CO HY-N2353 [0,2,0,0,0,0|1,0,1]=4 273 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO HY-B1070 [0,2,0,0,0,0|1,0,1]=4 274 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO HY-N0537 [0,2,0,0,0,0|1,0,1]=4 275 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO HY-N0537R [0,2,0,0,0,0|1,0,1]=4 276 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO HY-W018772 [0,2,0,0,0,0|1,0,1]=4 277 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO HY-W018772R [0,2,0,0,0,0|1,0,1]=4 278 B9R0.27 O=[13CH][13C@H](O)[13C@H](O)[13C@H](O)[13CH2]O HY-W018772S15 [0,2,0,0,0,0|1,0,1]=4 279 B9R0.27 O=[13CH][C@H](O)[C@@H](O)[C@H](O)CO HY-N0537S2 [0,2,0,0,0,0|1,0,1]=4 280 B9R0.27 O=[13CH][C@H](O)[C@H](O)[C@H](O)CO HY-W018772S1 [0,2,0,0,0,0|1,0,1]=4 281 B9R0.27 [C@H](O)(CO)[C@H](O)[C@@H](O)C=O HY-W015611 [0,2,0,0,0,0|1,0,1]=4 282 B9R0.27 [C@H](O)(CO)[C@H](O)[C@@H](O)C=O HY-W015611R [0,2,0,0,0,0|1,0,1]=4 283 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C HY-119414 [0,2,0,0,0,0|1,0,0]=3 284 B9R0.80 [2H]C([2H])([2H])C([2H])(N)C(=O)O HY-W244382 [0,2,0,0,0,0|2,0,0]=4 285 B9R0.80 [2H]C([2H])([2H])[C@]([2H])(N)C(=O)O HY-N0229S3 [0,2,0,0,0,0|2,0,0]=4 286 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [1,0,0,1,0,0|1,0,0]=3 287 B7R1.20 O=C(O)CC1CC1 HY-W010610 [1,0,0,1,0,0|1,0,0]=3 288 B7R1.4 NC1CCSC1=O HY-101404 [1,0,0,1,0,0|0,1,0]=3 289 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [1,0,0,1,0,0|1,0,0]=3 290 B7R1.4 N[C@@H]1CONC1=O HY-B0030R [1,0,0,1,0,0|1,0,0]=3 291 B7R1.4 N[C@H]1CCSC1=O HY-101404A [1,0,0,1,0,0|0,1,0]=3 292 B7R1.4 N[C@H]1CONC1=O HY-B1122 [1,0,0,1,0,0|1,0,0]=3 293 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [1,0,0,1,0,0|0,0,0]=2 294 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [1,0,0,1,0,0|0,0,0]=2 296 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [1,0,0,1,0,0|0,0,0]=2 297 B9R1.35 CC(C)[C@@H]1COC(=O)N1 HY-W002320 [0,0,0,1,0,1|2,0,0]=4 298 B9R1.35 CC(C)[C@H]1COC(=O)N1 HY-W002062 [0,0,0,1,0,1|2,0,0]=4 299 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [0,0,0,1,0,1|2,0,0]=4 300 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 HY-W044620 [0,0,0,1,0,1|1,0,0]=3 301 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135 [0,0,0,1,0,1|0,0,0]=2 302 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135R [0,0,0,1,0,1|0,0,0]=2 303 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-40136 [0,0,0,1,0,1|0,0,0]=2 304 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-W019213 [0,0,0,1,0,1|0,0,0]=2 305 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 HY-76104 [0,0,0,1,0,1|0,0,0]=2 306 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-34666 [0,0,0,1,0,1|0,0,0]=2 307 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-W003511 [0,0,0,1,0,1|0,0,0]=2 308 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 HY-W008129 [0,0,0,1,0,1|0,0,0]=2 309 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [0,0,0,1,0,1|1,0,0]=3 310 B9R1.101 COC(=O)C(N)C1CC1 HY-W005014 [0,1,0,1,0,0|1,0,0]=3 311 B9R1.110 NC(C(=O)O)C1CCC1 HY-20834 [0,1,0,1,0,0|1,0,0]=3 312 B9R1.138 CC1(C)COC(=O)C1O HY-W053519 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.138 [C@H]1(O)C(=O)OCC1(C)C HY-W010396 [0,1,0,1,0,0|2,0,0]=4 314 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [1,0,0,0,0,1|0,0,2]=4 315 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [1,0,0,0,0,1|0,0,2]=4 316 B7R0.6 CC(C)CCC(=O)O HY-W015882 [1,0,0,0,0,1|1,0,0]=3 317 B7R0.6 CC(C)CCC(=O)O HY-W015882R [1,0,0,0,0,1|1,0,0]=3 318 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [1,0,0,0,0,1|1,0,1]=4 319 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [1,0,0,0,0,1|1,0,1]=4 320 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [1,0,0,0,0,1|1,0,1]=4 321 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409 [0,0,0,0,0,2|0,0,2]=4 322 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409A [0,0,0,0,0,2|0,0,2]=4 323 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HY-101409R [0,0,0,0,0,2|0,0,2]=4 324 B9R0.7 CS(=O)CCC(N)C(=O)O HY-W010104A [0,0,0,0,0,2|1,0,1]=4 325 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770 [0,0,0,0,0,2|1,0,1]=4 326 B9R0.7 C[S+](C)CCC(N)C(=O)O HY-N6655 [0,0,0,0,0,2|2,0,0]=4 327 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O HY-N2551 [0,0,0,0,0,2|2,0,0]=4 328 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W010108 [0,0,0,0,0,2|1,0,1]=4 329 B9R0.7 NC(CCC(=O)O)C(=O)O HY-W041895 [0,0,0,0,0,2|1,0,1]=4 330 B9R0.7 N[13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S5 [0,0,0,0,0,2|1,0,1]=4 331 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-112111 [0,0,0,0,0,2|1,0,1]=4 332 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608 [0,0,0,0,0,2|1,0,1]=4 333 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-14608R [0,0,0,0,0,2|1,0,1]=4 334 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W016319 [0,0,0,0,0,2|1,0,1]=4 335 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HY-W419700 [0,0,0,0,0,2|1,0,1]=4 336 B9R0.7 N[C@@H](CCC(=O)O)[13C](=O)O HY-14608S1 [0,0,0,0,0,2|1,0,1]=4 337 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805 [0,0,0,0,0,2|1,0,1]=4 338 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HY-100805R [0,0,0,0,0,2|1,0,1]=4 339 B9R0.7 [15NH2][C@@H](CCC(=O)O)C(=O)O HY-14608S2 [0,0,0,0,0,2|1,0,1]=4