0 B7R0.2 CCC(C)CC(=O)O HY-W010513 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.2 CCC(C)CC(=O)O HY-W010513R [0,0,0,0,0,0|0,0,0]=0 2 B7R0.2 CCC(C)CC(C)N HY-W015593 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.2 CCC(C)OC(C)=O HY-158759 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.2 CCC(O)CC(=O)O HY-113004 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.2 CN(CC(=O)O)N=O HY-W188178 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.2 NCC(O)CC(=O)O HY-B1427 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.2 CC(C)CB(O)O HY-W000978 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,0,0,0,0,0|0,0,0]=1 11 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,0,0,0,0,0|0,0,0]=1 13 B6R0.2 CC(C)SC(=N)N HY-101304 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.2 CC(O)CC(=O)O HY-113378 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.2 CN(C)CC(=O)O HY-W001158 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.2 CN(C)CC(=O)O HY-Y0511 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.2 CN(C)CC(=O)O HY-Y0511R [1,0,0,0,0,0|1,0,0]=2 19 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,0,0,0,0,0|0,0,2]=3 23 B6R0.4 CCCCB(O)O HY-W000932 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.4 CCCCC(N)=O HY-W144037 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.4 CCNCC(=O)O HY-W141879 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.4 CCOCC(=O)O HY-W027555 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,0,0,0,0,0|0,0,2]=3 28 B6R0.4 CSCCC(=O)O HY-101401 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,0,0,0,0,0|0,0,2]=3 30 B6R0.4 NCCCC(=O)O HY-N0067 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.4 NCCCC(=O)O HY-N0067R [1,0,0,0,0,0|1,0,0]=2 32 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,0,0,0,0,0|1,0,2]=4 33 B6R0.4 O=CNCC(=O)O HY-128735 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 [N-]=[N+]=NCC(=O)O HY-151719 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,1,0,0,0,0|0,0,1]=2 36 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,1,0,0,0,0|0,0,1]=2 37 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O HY-78912 [0,1,0,0,0,0|0,0,0]=1 38 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771 [0,1,0,0,0,0|0,0,0]=1 39 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-W012706 [0,1,0,0,0,0|0,0,0]=1 40 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O HY-N0771S2 [0,1,0,0,0,0|0,0,0]=1 41 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-134240 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-W009208 [0,1,0,0,0,0|2,0,0]=3 43 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC HY-W008464 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.5 CCCC(O)CC(=O)O HY-113836 [0,1,0,0,0,0|1,0,0]=2 45 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.5 COCC(C)OC(C)=O HY-W133953 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.16 CCN(CC)CC(=O)O HY-W051299 [0,1,0,0,0,0|1,0,0]=2 49 B8R0.16 COC(CC(C)=O)OC HY-Y0035 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.19 COC(=O)CC(=O)OC HY-Y1787 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.23 CC(CC(=O)O)C(=O)O HY-W010381 [0,1,0,0,0,0|1,0,1]=3 53 B8R0.23 CN(CC(=O)O)C(=N)N HY-W010388 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.23 CN(CC(=O)O)C(=N)N HY-W010388R [0,1,0,0,0,0|2,0,1]=4 55 B8R0.23 CN(CC(=O)O)C(=N)N HY-W017462 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.23 NC(CC(=O)O)C(=O)O HY-W015824 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666R [0,1,0,0,0,0|2,0,1]=4 58 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] HY-N0666C [0,1,0,0,0,0|2,0,1]=4 59 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311R [0,1,0,0,0,0|2,0,1]=4 61 B8R0.23 O=C(O)CC(S)C(=O)O HY-106381 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558R [0,1,0,0,0,0|2,0,1]=4 64 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.23 [15NH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O HY-N0666S1 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.4 CC1CCN=C(N)C1 HY-138564 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,0,0,1,0,0|1,0,1]=3 70 B6R0.3 CC(CBr)C(=O)O HY-W015332 [0,0,0,0,1,0|1,0,0]=2 71 B6R0.3 CC(CN)C(=O)O HY-W012974 [0,0,0,0,1,0|1,0,0]=2 72 B6R0.3 CC(CN)C(=O)O HY-W012974R [0,0,0,0,1,0|1,0,0]=2 73 B6R0.3 CC(CO)C(=O)O HY-113126 [0,0,0,0,1,0|1,0,0]=2 74 B6R0.3 CCC(=O)C(=O)O HY-W007926 [0,0,0,0,1,0|1,0,1]=3 75 B6R0.3 CCC(=O)C(=O)O HY-W007926R [0,0,0,0,1,0|1,0,1]=3 76 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,0,0,0,1,0|2,0,1]=4 77 B6R0.3 CCC(N)C(=O)O HY-W010590 [0,0,0,0,1,0|1,0,0]=2 78 B6R0.3 CCC(O)C(=O)O HY-113381 [0,0,0,0,1,0|1,0,0]=2 79 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [0,0,0,0,1,0|1,0,0]=2 80 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [0,0,0,0,1,0|2,0,0]=3 81 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [0,0,0,0,1,0|1,0,0]=2 82 B6R0.3 CON(C)C(C)=O HY-W001095 [0,0,0,0,1,0|3,0,0]=4 83 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [0,0,0,0,1,0|1,0,0]=2 84 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [0,0,0,0,1,0|1,0,0]=2 85 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [0,0,0,0,1,0|0,0,2]=3 86 B6R0.3 NC(=O)[C@@H](N)CO HY-W008254 [0,0,0,0,1,0|3,0,0]=4 87 B6R0.3 NC(CO)C(=O)O HY-Y0507 [0,0,0,0,1,0|2,0,0]=3 88 B6R0.3 NC(CS)C(=O)O HY-W013651 [0,0,0,0,1,0|2,0,0]=3 89 B6R0.3 NC(CS)C(=O)O HY-W016716 [0,0,0,0,1,0|2,0,0]=3 90 B6R0.3 NCC(N)C(=O)O HY-W013674 [0,0,0,0,1,0|2,0,0]=3 91 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [0,0,0,0,1,0|2,0,0]=3 92 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [0,0,0,0,1,0|2,0,0]=3 93 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [0,0,0,0,1,0|2,0,0]=3 94 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [0,0,0,0,1,0|2,0,0]=3 95 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [0,0,0,0,1,0|2,0,0]=3 96 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [0,0,0,0,1,0|2,0,0]=3 97 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [0,0,0,0,1,0|2,0,0]=3 98 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [0,0,0,0,1,0|2,0,0]=3 99 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [0,0,0,0,1,0|2,0,0]=3 100 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [0,0,0,0,1,0|2,0,0]=3 101 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [0,0,0,0,1,0|2,0,0]=3 102 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [0,0,0,0,1,0|2,0,0]=3 103 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [0,0,0,0,1,0|2,0,0]=3 104 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [0,0,0,0,1,0|2,0,0]=3 105 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [0,0,0,0,1,0|2,0,0]=3 106 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [0,0,0,0,1,0|2,0,0]=3 107 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [0,0,0,0,1,0|2,0,0]=3 108 B6R0.3 O=C(O)C(=O)CBr HY-19992 [0,0,0,0,1,0|2,0,1]=4 109 B6R0.3 O=C(O)C(O)CO HY-W018035 [0,0,0,0,1,0|2,0,0]=3 110 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [0,0,0,0,1,0|1,0,0]=2 111 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [0,0,0,0,1,0|1,0,0]=2 112 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [0,0,0,0,1,0|2,0,0]=3 113 B8R0.9 C#CC(N)CCC(=O)O HY-131693A [0,0,0,0,0,1|1,0,2]=4 114 B8R0.9 C=CC(N)CCC(=O)O HY-B0033 [0,0,0,0,0,1|1,0,2]=4 115 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [0,0,0,0,0,1|1,0,1]=3 116 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [0,0,0,0,0,1|2,0,1]=4 117 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [0,0,0,0,0,1|2,0,1]=4 118 B8R0.9 NCC(=O)NCC(=O)O HY-D0889R [0,0,0,0,0,1|2,0,1]=4 119 B5R0.1 C#CCC(=O)O HY-W004784 [2,0,0,0,0,0|0,0,2]=4 120 B5R0.1 C=CCC(=O)O HY-W068697 [2,0,0,0,0,0|0,0,2]=4 121 B5R0.1 CC(=O)CCO HY-W051287 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.1 CC(C)=CC=O HY-34409 [2,0,0,0,0,0|0,0,2]=4 123 B5R0.1 CC(O)CCO HY-77490A [2,0,0,0,0,0|1,0,1]=4 124 B5R0.1 CCCB(O)O HY-W007470 [2,0,0,0,0,0|1,0,1]=4 125 B5R0.1 CCCC(N)=O HY-W088319 [2,0,0,0,0,0|1,0,0]=3 126 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.1 CCOC(N)=O HY-B1207R [2,0,0,0,0,0|2,0,0]=4 128 B5R0.1 CN(C)CC=O HY-100061A [2,0,0,0,0,0|1,0,0]=3 129 B5R0.1 CNCC(=O)O HY-101037 [2,0,0,0,0,0|1,0,0]=3 130 B5R0.1 CNCC(=O)O HY-101037R [2,0,0,0,0,0|1,0,0]=3 131 B5R0.1 COCC(=O)O HY-Y1009 [2,0,0,0,0,0|1,0,0]=3 132 B5R0.1 C[C@@H](O)CCO HY-77490 [2,0,0,0,0,0|1,0,1]=4 133 B5R0.1 C\C=C\C(=O)O HY-Y1644 [2,0,0,0,0,0|0,0,2]=4 134 B5R0.1 NCCC(=O)O HY-N0230 [2,0,0,0,0,0|1,0,0]=3 135 B5R0.1 NCCS(=O)O HY-100803 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.1 NOCC(=O)O HY-107994 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.2 CC\C=C\C=O HY-W111375 [2,0,0,0,0,0|0,0,2]=4 138 B5R0.2 NCCCCO HY-W002041 [2,0,0,0,0,0|1,0,1]=4 139 B5R0.3 CCC(=O)CO HY-W005327 [2,0,0,0,0,0|1,0,1]=4 140 B5R0.3 CCC(C)C=O HY-W020678 [2,0,0,0,0,0|0,0,0]=2 141 B5R0.3 NCC(O)CO HY-W002040 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.3 O=CC(O)CO HY-128748 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.3 O=C[C@@H](O)CO HY-W008504 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.3 OCC(O)CO HY-B1659 [2,0,0,0,0,0|2,0,0]=4 145 B5R0.3 OCC(O)CO HY-B1659R [2,0,0,0,0,0|2,0,0]=4 146 B5R0.3 OCC(S)CS HY-B1285 [2,0,0,0,0,0|2,0,0]=4 147 B7R0.10 O=C[C@H](O)[C@H](O)CO HY-116956 [1,1,0,0,0,0|2,0,0]=4 148 B7R0.10 [C@H](C)(CC)[C@H](N)CO HY-W015875 [1,1,0,0,0,0|0,0,1]=3 149 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [1,1,0,0,0,0|0,0,0]=2 150 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [1,1,0,0,0,0|1,0,1]=4 151 B7R0.9 CC(O)CC(C)(C)O HY-B0903R [1,1,0,0,0,0|1,0,1]=4 152 B7R0.9 C[N+](C)(C)CC(=O)O HY-N0739 [1,1,0,0,0,0|1,0,0]=3 153 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-B0710 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-W010348 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [1,1,0,0,0,0|0,0,1]=3 156 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [1,1,0,0,0,0|0,0,0]=2 157 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [1,1,0,0,0,0|0,0,0]=2 158 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [1,1,0,0,0,0|0,0,0]=2 159 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [1,1,0,0,0,0|0,0,0]=2 160 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [1,1,0,0,0,0|0,0,0]=2 161 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [1,1,0,0,0,0|1,0,0]=3 162 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [1,1,0,0,0,0|1,0,0]=3 163 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [1,1,0,0,0,0|1,0,0]=3 164 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [1,1,0,0,0,0|1,0,0]=3 165 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [1,1,0,0,0,0|1,0,0]=3 166 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [1,1,0,0,0,0|1,0,0]=3 167 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [1,1,0,0,0,0|1,0,0]=3 168 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [1,1,0,0,0,0|1,0,0]=3 169 B7R0.4 C#CCCCC(=O)O HY-Y0925 [1,1,0,0,0,0|0,0,1]=3 170 B7R0.4 C#CCNCC(=O)O HY-142035 [1,1,0,0,0,0|0,0,2]=4 171 B7R0.4 CCCCCC(C)O HY-W015879 [1,1,0,0,0,0|1,0,1]=4 172 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,1,0,0,0,0|0,0,1]=3 173 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [1,1,0,0,0,0|0,0,1]=3 174 B7R0.4 NCCCCC(=O)O HY-W015878 [1,1,0,0,0,0|0,0,0]=2 175 B7R0.4 NCCOCC(=O)O HY-140643 [1,1,0,0,0,0|1,0,0]=3 176 B7R0.4 NCCOCC(=O)O HY-140644 [1,1,0,0,0,0|1,0,0]=3 177 B7R0.4 O=C(Cl)CCCCBr HY-43538 [1,1,0,0,0,0|1,0,0]=3 178 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,1,0,0,0,0|0,0,0]=2 179 B7R0.4 O=C(O)COCCBr HY-130163 [1,1,0,0,0,0|1,0,0]=3 180 B7R0.4 O=C(O)COCCS HY-140730 [1,1,0,0,0,0|1,0,0]=3 181 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [1,1,0,0,0,0|0,0,1]=3 182 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [1,1,0,0,0,0|1,0,1]=4 183 B7R0.6 CC(C)CCC(=O)O HY-W015882 [1,1,0,0,0,0|0,0,0]=2 184 B7R0.6 CC(C)CCC(=O)O HY-W015882R [1,1,0,0,0,0|0,0,0]=2 185 B7R0.6 O=C(O)CCC(=O)O HY-N0420 [1,1,0,0,0,0|1,0,1]=4 186 B7R0.6 O=C(O)CCC(=O)O HY-N0420R [1,1,0,0,0,0|1,0,1]=4 187 B7R0.6 O=C(O)CC[N+](=O)[O-] HY-W012875 [1,1,0,0,0,0|2,0,0]=4 188 B7R0.6 O=[13C](O)CC[13C](=O)O HY-N0420S3 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.8 CCCCC(C)(C)O HY-W111893 [1,1,0,0,0,0|1,0,1]=4 190 B7R0.8 CNCCS(=O)(=O)O HY-W098348 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.8 NCCCP(=O)(O)O HY-W105694 [1,1,0,0,0,0|2,0,0]=4 192 B7R0.8 NCCCS(=O)(=O)O HY-14602 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.13 CCC(C)(C)C(=O)O HY-W015881 [0,1,0,0,1,0|0,0,0]=2 194 B7R0.13 CCC(C)(O)C(=O)O HY-W015874 [0,1,0,0,1,0|0,0,0]=2 195 B7R0.13 CC[C@](C)(N)C(=O)O HY-W018850 [0,1,0,0,1,0|0,0,0]=2 196 B7R0.13 CNC(C)(C)C(=O)O HY-134452 [0,1,0,0,1,0|1,0,0]=3 197 B7R0.13 C[C@](N)(CO)C(=O)O HY-W008467 [0,1,0,0,1,0|1,0,0]=3 198 B7R0.15 CCC(CC)C(=O)O HY-W004154 [0,1,0,0,1,0|0,0,0]=2 199 B7R0.15 COC(OC)C(C)=O HY-Y0872 [0,1,0,0,1,0|2,0,0]=4 200 B7R0.15 [C@@H](CO)(NC)C(=O)O HY-W012872 [0,1,0,0,1,0|1,0,0]=3 201 B9R0.7 CC(C)C(=O)NCC(=O)O HY-W141928 [0,1,0,0,0,1|1,0,1]=4 202 B9R0.7 CC(CCC(=O)O)C(=O)O HY-W017524 [0,1,0,0,0,1|1,0,1]=4 203 B9R0.7 CC(S)C(=O)NCC(=O)O HY-B0373 [0,1,0,0,0,1|1,0,1]=4 204 B9R0.7 C[C@H](NCC(=O)O)C(=O)O HY-W105634 [0,1,0,0,0,1|1,0,1]=4 205 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O HY-W016424 [0,1,0,0,0,1|0,0,0]=2 206 B9R0.48 CCCC(=O)NCC(=O)O HY-113119 [0,1,0,0,0,1|1,0,1]=4 207 B9R0.27 CCC(C)C(=O)C(=O)O[Na] HY-W017386 [0,2,0,0,0,0|0,0,1]=3 208 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC HY-W016423 [0,2,0,0,0,0|0,0,0]=2 209 B9R0.29 CCC(C)C(CC)C(N)=O HY-121877 [0,2,0,0,0,0|1,0,0]=3 210 B9R0.79 CC(C(=O)O)C(N)C(=O)O HY-W017501 [0,2,0,0,0,0|1,0,1]=4 211 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O HY-N6858 [0,2,0,0,0,0|0,0,0]=2 212 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O HY-W010271 [0,2,0,0,0,0|0,0,0]=2 213 B9R0.4 CCCCC(C)OC(C)=O HY-W250126 [0,2,0,0,0,0|2,0,0]=4 214 B9R0.34 CCCC(O)CC(=O)OC HY-116632 [0,2,0,0,0,0|1,0,0]=3 215 B9R0.34 CCOC(=O)CC(=O)CC HY-78211 [0,2,0,0,0,0|1,0,1]=4 216 B9R0.34 CCOC(=O)CC(=O)O[K] HY-Y1031A [0,2,0,0,0,0|1,0,1]=4 217 B9R0.53 CC(CC(=O)O)CC(=O)O HY-113410 [0,2,0,0,0,0|0,0,1]=3 218 B9R0.53 CN(CC(=O)O)CC(=O)O HY-W007872 [0,2,0,0,0,0|1,0,1]=4 219 B9R0.26 CCN(CC)CC(=O)O[Na] HY-Y1413 [0,2,0,0,0,0|1,0,0]=3 220 B9R0.26 COC(=O)CC(OC)OC HY-W017474 [0,2,0,0,0,0|1,0,0]=3 221 B9R0.39 CNC(CC(=O)O)C(=O)O HY-W017500 [0,2,0,0,0,0|1,0,1]=4 222 B9R0.39 CN[C@H](CC(=O)O)C(=O)O HY-17551 [0,2,0,0,0,0|1,0,1]=4 223 B9R0.11 CC(C)(CC(=O)O)C(=O)O HY-W015641 [0,2,0,0,0,0|1,0,1]=4 224 B9R0.11 CC(N)(CC(=O)O)C(=O)O HY-W142119 [0,2,0,0,0,0|1,0,1]=4 225 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,1,0,0|0,0,2]=4 226 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,1,0,0|1,0,0]=3 227 B7R1.2 CN1CCC(O)C1 HY-I0708 [1,0,0,1,0,0|1,0,1]=4 228 B7R1.2 O=C1CCC(=O)C1 HY-75355 [1,0,0,1,0,0|1,0,1]=4 229 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.3 BrC1CCOCC1 HY-W003396 [1,0,0,1,0,0|1,0,1]=4 231 B7R1.3 CC1CCOCO1 HY-W111914 [1,0,0,1,0,0|1,0,1]=4 232 B7R1.20 O=C(O)CC1CC1 HY-W010610 [1,0,0,1,0,0|0,0,0]=2 233 B7R1.18 O=C(O)C1CNC1 HY-Y0530 [1,0,0,1,0,0|1,0,0]=3 234 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [1,0,0,1,0,0|1,0,0]=3 235 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [1,0,0,1,0,0|1,0,0]=3 236 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [0,0,0,1,0,1|1,0,0]=3 237 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 HY-W044620 [0,0,0,1,0,1|2,0,0]=4 238 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135 [0,0,0,1,0,1|2,0,0]=4 239 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135R [0,0,0,1,0,1|2,0,0]=4 240 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-40136 [0,0,0,1,0,1|2,0,0]=4 241 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-W019213 [0,0,0,1,0,1|2,0,0]=4 242 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 HY-76104 [0,0,0,1,0,1|2,0,0]=4 243 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-34666 [0,0,0,1,0,1|2,0,0]=4 244 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-W003511 [0,0,0,1,0,1|2,0,0]=4 245 B9R1.35 O=C1CCC(C(=O)O)N1 HY-W012738 [0,0,0,1,0,1|1,0,1]=4 246 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082 [0,0,0,1,0,1|1,0,1]=4 247 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082R [0,0,0,1,0,1|1,0,1]=4 248 B9R1.35 O=C1CC[C@H](C(=O)O)N1 HY-W002304 [0,0,0,1,0,1|1,0,1]=4 249 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 HY-W008129 [0,0,0,1,0,1|2,0,0]=4 250 B9R1.41 CN1CCC[C@H]1C(=O)O HY-21754 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.110 NC(C(=O)O)C1CCC1 HY-20834 [0,1,0,1,0,0|0,0,0]=2 252 B9R1.66 CC1(C)CCCC(=O)C1 HY-79034 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,1,0,1,0,0|0,0,0]=2 254 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,1,0,1,0,0|0,0,0]=2 255 B5R0.5 CC(=O)C(=O)O HY-Y0781 [1,0,0,0,1,0|1,0,1]=4 256 B5R0.5 CC(=O)C(=O)O HY-Y0781R [1,0,0,0,1,0|1,0,1]=4 257 B5R0.5 CC(=O)N(C)C HY-W042416 [1,0,0,0,1,0|2,0,0]=4 258 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [1,0,0,0,1,0|1,0,1]=4 259 B5R0.5 CC(N)C(=O)O HY-N2362 [1,0,0,0,1,0|1,0,0]=3 260 B5R0.5 CC(O)C(=O)O HY-B1530 [1,0,0,0,1,0|1,0,0]=3 261 B5R0.5 CC(O)C(=O)O HY-B2227 [1,0,0,0,1,0|1,0,0]=3 262 B5R0.5 CC(O)C(=O)O HY-B2227D [1,0,0,0,1,0|1,0,0]=3 263 B5R0.5 CC(O)C(=O)O HY-B2227R [1,0,0,0,1,0|1,0,0]=3 264 B5R0.5 CC(O)C(=O)O HY-W250313 [1,0,0,0,1,0|1,0,0]=3 265 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [1,0,0,0,1,0|1,0,1]=4 266 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [1,0,0,0,1,0|1,0,1]=4 267 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [1,0,0,0,1,0|1,0,0]=3 268 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [1,0,0,0,1,0|1,0,0]=3 269 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [1,0,0,0,1,0|1,0,0]=3 270 B5R0.5 O=C(O)C(Br)Br HY-23399 [1,0,0,0,1,0|2,0,0]=4 271 B5R0.5 O=C(O)C(O)O HY-W019724 [1,0,0,0,1,0|2,0,0]=4