0 B7R0.6 C(C(=O)O)=CC(=O)O HY-W015883 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,0,0,0,0,0|0,0,2]=2 5 B7R0.6 NC(=O)\C=C/C(=O)O HY-128750 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 O=C(O)\C=C/C(=O)O HY-Y0367 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.6 O=C(O)\C=C\C(=O)O HY-107829 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.6 O=C(O)\C=C\C(=O)O HY-W015883R [0,0,0,0,0,0|2,0,1]=3 9 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HY-B1651 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.4 CC(C)CCCO HY-W007511 [1,0,0,0,0,0|0,0,3]=4 11 B6R0.4 CCCCC(N)=O HY-W144037 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 CCNCC(=O)O HY-W141879 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.4 CCOCC(=O)O HY-W027555 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,0,0,0,0,0|0,0,0]=1 15 B6R0.4 CSCCC(=O)O HY-101401 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.4 NCCCC(=O)O HY-N0067 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.4 NCCCC(=O)O HY-N0067R [1,0,0,0,0,0|1,0,2]=4 19 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [0,1,0,0,0,0|1,0,1]=3 21 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,1,0,0,0,0|0,0,1]=2 22 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,1,0,0,0,0|0,0,1]=2 23 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,1,0,0,0,0|0,0,2]=3 24 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,1,0,0,0,0|0,0,2]=3 25 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,1,0,0,0,0|0,0,2]=3 26 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,1,0,0,0,0|0,0,2]=3 27 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,1,0,0,0,0|0,0,2]=3 28 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,1,0,0,0,0|0,0,2]=3 29 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,1,0,0,0,0|1,0,2]=4 30 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,1,0,0,0,0|0,0,2]=3 31 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,1,0,0,0,0|0,0,2]=3 32 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,1,0,0,0,0|0,0,2]=3 33 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,1,0,0,0,0|0,0,2]=3 34 B8R0.23 C\C(=C/C(=O)O)C(=O)O HY-78036 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.23 C\C(=C\C(=O)O)C(=O)O HY-113298 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.29 CC(C)(C)NCC(=O)O HY-W040723 [0,1,0,0,0,0|1,0,1]=3 37 B8R1.3 CC1=CNC(=O)C=C1 HY-W010566 [0,0,0,1,0,0|1,0,2]=4 38 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [0,0,0,1,0,0|1,0,0]=2 39 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [0,0,0,0,1,0|2,0,1]=4 40 B6R0.2 CC(C)CB(O)O HY-W000978 [0,0,0,0,1,0|1,0,2]=4 41 B6R0.2 CC(C)CC(=O)O HY-W012980 [0,0,0,0,1,0|0,0,1]=2 42 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,0,0,0,1,0|1,0,1]=3 43 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [0,0,0,0,1,0|0,0,1]=2 44 B6R0.2 CC(C)SC(=N)N HY-101304 [0,0,0,0,1,0|3,0,0]=4 45 B6R0.2 CC(N)CC(=O)O HY-W008833 [0,0,0,0,1,0|1,0,1]=3 46 B6R0.2 CC(O)CC(=O)O HY-113378 [0,0,0,0,1,0|1,0,1]=3 47 B6R0.2 CN(C)CC(=O)O HY-W001158 [0,0,0,0,1,0|1,0,1]=3 48 B6R0.2 CN(C)CC(=O)O HY-Y0511 [0,0,0,0,1,0|1,0,1]=3 49 B6R0.2 CN(C)CC(=O)O HY-Y0511R [0,0,0,0,1,0|1,0,1]=3 50 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,0,0,0,1,0|1,0,1]=3 51 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [0,0,0,0,1,0|1,0,1]=3 52 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,0,0,0,1,0|1,0,1]=3 53 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,0,0,0,0,1|1,0,2]=4 54 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501 [0,0,0,0,0,1|2,0,1]=4 55 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501A [0,0,0,0,0,1|2,0,1]=4 56 B5R0.1 C=CCC(=O)O HY-W068697 [2,0,0,0,0,0|0,0,2]=4 57 B5R0.1 CC(C)=CC=O HY-34409 [2,0,0,0,0,0|0,0,1]=3 58 B5R0.1 CC(C)=CCO HY-W013035 [2,0,0,0,0,0|0,0,2]=4 59 B5R0.1 CCCC(N)=O HY-W088319 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.1 CCOC(N)=O HY-B1207R [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 CN(C)CC=O HY-100061A [2,0,0,0,0,0|1,0,1]=4 63 B5R0.1 CNCC(=O)O HY-101037 [2,0,0,0,0,0|1,0,1]=4 64 B5R0.1 CNCC(=O)O HY-101037R [2,0,0,0,0,0|1,0,1]=4 65 B5R0.1 COCC(=O)O HY-Y1009 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.1 C\C=C\C(=O)O HY-Y1644 [2,0,0,0,0,0|0,0,0]=2 67 B5R0.1 NCCC(=O)O HY-N0230 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.2 CC\C=C/CO HY-W030347 [2,0,0,0,0,0|0,0,1]=3 69 B5R0.2 CC\C=C\C=O HY-W111375 [2,0,0,0,0,0|0,0,0]=2 70 B5R0.2 OC\C=C/CO HY-W027631 [2,0,0,0,0,0|1,0,1]=4 71 B7R0.2 CCC(C)CC(=O)O HY-W010513 [1,1,0,0,0,0|0,0,2]=4 72 B7R0.2 CCC(C)CC(=O)O HY-W010513R [1,1,0,0,0,0|0,0,2]=4 73 B7R0.2 CCC(O)CC(=O)O HY-113004 [1,1,0,0,0,0|0,0,2]=4 74 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [1,1,0,0,0,0|1,0,0]=3 75 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,1,0,0,0,0|0,0,0]=2 76 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [1,1,0,0,0,0|0,0,0]=2 77 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [1,1,0,0,0,0|0,0,1]=3 78 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [1,1,0,0,0,0|0,0,1]=3 79 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [1,1,0,0,0,0|0,0,2]=4 80 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [1,1,0,0,0,0|0,0,2]=4 81 B7R0.4 NCCCCC(=O)O HY-W015878 [1,1,0,0,0,0|0,0,2]=4 82 B7R0.4 NCCOCC(=O)O HY-140643 [1,1,0,0,0,0|1,0,1]=4 83 B7R0.4 NCCOCC(=O)O HY-140644 [1,1,0,0,0,0|1,0,1]=4 84 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,1,0,0,0,0|0,0,2]=4 85 B7R0.4 O=C(O)COCCBr HY-130163 [1,1,0,0,0,0|1,0,1]=4 86 B7R0.4 O=C(O)COCCS HY-140730 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.5 CCCC(=O)C(=O)O HY-113098 [1,1,0,0,0,0|0,0,1]=3 88 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,1,0,0,0,0|0,0,2]=4 89 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,1,0,0,0,0|0,0,2]=4 90 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,1,0,0,0,0|0,0,2]=4 91 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,1,0,0,0,0|0,0,2]=4 92 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [1,1,0,0,0,0|0,0,0]=2 94 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [0,1,0,0,1,0|0,0,1]=3 95 B7R0.9 C[N+](C)(C)CC(=O)O HY-N0739 [0,1,0,0,1,0|1,0,1]=4 96 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,1,0,0,1,0|0,0,0]=2 97 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,1,0,0,1,0|0,0,1]=3 98 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,1,0,0,1,0|0,0,1]=3 99 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,1,0,0,1,0|0,0,1]=3 100 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,1,0,0,1,0|0,0,1]=3 101 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,1,0,0,1,0|0,0,1]=3 102 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,1,0,0,1,0|1,0,1]=4 103 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,1,0,0,1,0|1,0,1]=4 104 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,1,0,0,1,0|1,0,1]=4 105 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,1,0,0,1,0|1,0,1]=4 106 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,1,0,0,1,0|1,0,1]=4 107 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,1,0,0,1,0|1,0,1]=4 108 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,1,0,0,1,0|1,0,1]=4 109 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,1,0,0,1,0|1,0,1]=4 110 B9R0.7 CC(C)C(=O)NCC(=O)O HY-W141928 [0,1,0,0,0,1|0,0,1]=3 111 B9R0.7 CC(S)C(=O)NCC(=O)O HY-B0373 [0,1,0,0,0,1|1,0,1]=4 112 B9R0.23 CC(C)CC(=O)C(=O)O[Na] HY-W017387 [0,2,0,0,0,0|0,0,1]=3 113 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O HY-W016424 [0,2,0,0,0,0|0,0,2]=4 114 B9R0.23 COC(=O)C(O)CC(C)C HY-22167 [0,2,0,0,0,0|0,0,2]=4 115 B9R0.23 COC(=O)[C@H](N)CC(C)C HY-W016425 [0,2,0,0,0,0|0,0,2]=4 116 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC HY-W016427 [0,2,0,0,0,0|0,0,2]=4 117 B9R0.24 COC(=O)\C=C\C(=O)OC HY-17363 [0,2,0,0,0,0|1,0,1]=4 118 B9R0.24 COC(=O)\C=C\C(=O)OC HY-17363R [0,2,0,0,0,0|1,0,1]=4 119 B9R0.48 CCOC(=O)\C=C\C(=O)O HY-W019696 [0,2,0,0,0,0|1,0,1]=4 120 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O HY-79415 [0,2,0,0,0,0|0,0,2]=4 121 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,0,0,1,0,0|0,0,2]=4 122 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,1,0,0|0,0,2]=4 123 B7R1.3 O=C1C=CCCN1 HY-W006454 [1,0,0,1,0,0|1,0,0]=3 124 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,1,0,0|0,0,2]=4 125 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [1,0,0,1,0,0|1,0,1]=4 126 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [1,0,0,1,0,0|1,0,1]=4 127 B7R1.20 O=C(O)CC1CC1 HY-W010610 [1,0,0,1,0,0|0,0,2]=4 128 B9R1.35 CN1C=CC(C(=O)O)=N1 HY-34603 [0,0,0,1,0,1|2,0,0]=4 129 B9R1.69 CC1CNC(=O)NC1=O HY-N6787 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.138 CC1(C)COC(=O)C1O HY-W053519 [0,1,0,1,0,0|1,0,1]=4 131 B9R1.138 [C@H]1(O)C(=O)OCC1(C)C HY-W010396 [0,1,0,1,0,0|1,0,1]=4 132 B9R1.38 CC1(C)OC(=O)NC1=O HY-B1348 [0,1,0,1,0,0|1,0,0]=3 133 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [0,1,0,1,0,0|0,0,2]=4 134 B5R0.5 CC(=O)C(=O)O HY-Y0781 [0,0,0,0,2,0|1,0,1]=4 135 B5R0.5 CC(=O)C(=O)O HY-Y0781R [0,0,0,0,2,0|1,0,1]=4 136 B5R0.5 CC(=O)N(C)C HY-W042416 [0,0,0,0,2,0|2,0,0]=4 137 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [0,0,0,0,2,0|1,0,1]=4 138 B5R0.5 CC(N)C(=O)O HY-N2362 [0,0,0,0,2,0|1,0,0]=3 139 B5R0.5 CC(O)C(=O)O HY-B1530 [0,0,0,0,2,0|1,0,0]=3 140 B5R0.5 CC(O)C(=O)O HY-B2227 [0,0,0,0,2,0|1,0,0]=3 141 B5R0.5 CC(O)C(=O)O HY-B2227D [0,0,0,0,2,0|1,0,0]=3 142 B5R0.5 CC(O)C(=O)O HY-B2227R [0,0,0,0,2,0|1,0,0]=3 143 B5R0.5 CC(O)C(=O)O HY-W250313 [0,0,0,0,2,0|1,0,0]=3 144 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [0,0,0,0,2,0|1,0,1]=4 145 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [0,0,0,0,2,0|1,0,1]=4 146 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [0,0,0,0,2,0|1,0,0]=3 147 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [0,0,0,0,2,0|1,0,0]=3 148 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [0,0,0,0,2,0|1,0,0]=3 149 B5R0.5 O=C(O)C(Br)Br HY-23399 [0,0,0,0,2,0|2,0,0]=4 150 B5R0.5 O=C(O)C(O)O HY-W019724 [0,0,0,0,2,0|2,0,0]=4 151 B9R0.55 CC(C)CCCCC(=O)O HY-W101588 [0,0,0,0,0,2|0,0,2]=4