0 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [0,0,0,0,0,0|1,1,0]=2 1 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [0,0,0,0,0,0|0,1,2]=3 2 B7R0.9 CC(O)CC(C)(C)O HY-B0903R [0,0,0,0,0,0|0,1,2]=3 3 B7R0.9 C[N+](C)(C)CC(=O)O HY-N0739 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-B0710 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-W010348 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [1,0,0,0,0,0|0,1,2]=4 7 B6R0.2 CC(C)CB(O)O HY-W000978 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.2 CC(C)SC(=N)N HY-101304 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.2 CC(N)CN(C)C HY-32007 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.2 CC(N)CN(C)C HY-32007A [1,0,0,0,0,0|2,0,1]=4 15 B6R0.2 CC(O)CC(=O)O HY-113378 [1,0,0,0,0,0|1,1,0]=3 16 B6R0.2 CN(C)CC(=O)O HY-W001158 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.2 CN(C)CC(=O)O HY-Y0511 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.2 CN(C)CC(=O)O HY-Y0511R [1,0,0,0,0,0|2,0,0]=3 19 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,0,0,0,0,0|1,1,0]=3 20 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,0,0,0,0,0|1,1,0]=3 22 B6R0.5 C=CC[Si](C)(C)C HY-W019828 [1,0,0,0,0,0|1,1,1]=4 23 B6R0.5 CC(C)(C)CCO HY-W012977 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.5 CCC[N+](C)(C)C HY-W099930 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.24 CC(C)(C)OC(=O)CN HY-75331 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.24 CC(C)(C)OC(=O)CN HY-W007408 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.24 CC(C)(C)OC(=O)NN HY-Y0373 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.24 C[N+](C)(C)CC(=O)NN HY-W074541 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.27 CC(C)(C)C(N)C(=O)O HY-W002302 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O HY-W001954 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.27 CC(C)(C)[C@H](N)C(=O)O HY-59140 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O HY-B0300 [0,1,0,0,0,0|1,0,0]=2 33 B8R0.27 CC(C)(S)[C@H](N)C(=O)O HY-116073 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.33 CC(C)(C)CC(C)(C)C HY-W134422 [0,1,0,0,0,0|2,0,1]=4 35 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [0,0,0,1,0,0|1,0,1]=3 36 B6R0.7 CC(C)(C)S(N)=O HY-34480 [0,0,0,0,1,0|3,0,0]=4 37 B6R0.7 CC(C)(C)[S@@](N)=O HY-40229 [0,0,0,0,1,0|3,0,0]=4 38 B6R0.7 CC(C)(C)[S@](N)=O HY-40228 [0,0,0,0,1,0|3,0,0]=4 39 B6R0.7 CC(C)(N)C(=O)O HY-Y0124 [0,0,0,0,1,0|2,0,0]=3 40 B6R0.7 CC(C)(O)C(=O)O HY-W015924 [0,0,0,0,1,0|1,1,0]=3 41 B6R0.7 [2H][C@@]([13CH3])(N)C(=O)O HY-N0229S4 [0,0,0,0,1,0|3,0,0]=4 42 B8R0.29 CC(C)(C)NCC(=O)O HY-W040723 [0,0,0,0,0,1|2,0,0]=3 43 B5R0.1 CC(=O)CCO HY-W051287 [2,0,0,0,0,0|0,1,0]=3 44 B5R0.1 CC(=O)NCO HY-W024564 [2,0,0,0,0,0|1,1,0]=4 45 B5R0.1 CC(C)=CC=O HY-34409 [2,0,0,0,0,0|0,0,2]=4 46 B5R0.1 CCCC(N)=O HY-W088319 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.1 CCOC(N)=O HY-B1207R [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 CN(C)CC=O HY-100061A [2,0,0,0,0,0|1,0,0]=3 50 B5R0.1 CNCC(=O)O HY-101037 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 CNCC(=O)O HY-101037R [2,0,0,0,0,0|2,0,0]=4 52 B5R0.1 COCC(=O)O HY-Y1009 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.1 NCCC(=O)O HY-N0230 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.4 CC(C)(N)CO HY-W013027 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.4 CC(C)(N)CO HY-W013027A [2,0,0,0,0,0|1,0,1]=4 56 B5R0.4 CC(C)(O)CN HY-33948 [2,0,0,0,0,0|1,1,0]=4 57 B5R0.4 CC[N+](C)(C)C HY-W101257 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [1,1,0,0,0,0|1,1,0]=4 59 B7R0.2 CCC(C)CC(=O)O HY-W010513 [1,1,0,0,0,0|1,0,0]=3 60 B7R0.2 CCC(C)CC(=O)O HY-W010513R [1,1,0,0,0,0|1,0,0]=3 61 B7R0.2 CCC(C)CC(C)N HY-W015593 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.2 CCC(C)OC(C)=O HY-158759 [1,1,0,0,0,0|1,0,0]=3 63 B7R0.2 CCC(O)CC(=O)O HY-113004 [1,1,0,0,0,0|1,1,0]=4 64 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [1,1,0,0,0,0|0,1,1]=4 65 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [1,1,0,0,0,0|1,1,0]=4 66 B7R0.2 NCC(O)CC(=O)O HY-B1427 [1,1,0,0,0,0|1,1,0]=4 67 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [1,1,0,0,0,0|1,1,0]=4 69 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [1,1,0,0,0,0|0,1,0]=3 70 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [1,1,0,0,0,0|0,1,0]=3 71 B7R0.2 [C@H](N)(CO)CC(C)C HY-W012888 [1,1,0,0,0,0|1,0,1]=4 72 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [1,1,0,0,0,0|1,0,1]=4 73 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [1,1,0,0,0,0|1,0,0]=3 74 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [1,1,0,0,0,0|1,0,0]=3 75 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [1,1,0,0,0,0|1,0,0]=3 76 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [1,1,0,0,0,0|1,0,0]=3 77 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [1,1,0,0,0,0|1,0,0]=3 78 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [1,1,0,0,0,0|1,1,0]=4 79 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [1,1,0,0,0,0|1,1,0]=4 80 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [1,1,0,0,0,0|1,1,0]=4 81 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [1,1,0,0,0,0|1,1,0]=4 82 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [1,1,0,0,0,0|1,1,0]=4 83 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [1,1,0,0,0,0|1,1,0]=4 84 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [1,1,0,0,0,0|1,1,0]=4 85 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [1,1,0,0,0,0|1,1,0]=4 86 B7R0.8 CCCCC(C)(C)O HY-W111893 [1,1,0,0,0,0|0,1,1]=4 87 B7R0.13 CCC(C)(C)C(=O)O HY-W015881 [0,1,0,0,1,0|2,0,0]=4 88 B7R0.13 CCC(C)(O)C(=O)O HY-W015874 [0,1,0,0,1,0|1,1,0]=4 89 B7R0.13 CC[C@](C)(N)C(=O)O HY-W018850 [0,1,0,0,1,0|2,0,0]=4 90 B7R0.13 CNC(C)(C)C(=O)O HY-134452 [0,1,0,0,1,0|2,0,0]=4 91 B7R0.13 C[C@](N)(CO)C(=O)O HY-W008467 [0,1,0,0,1,0|2,0,0]=4 92 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O HY-79415 [0,1,0,0,0,1|2,0,0]=4 93 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C HY-79271 [0,2,0,0,0,0|1,0,0]=3 94 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C HY-I0172 [0,2,0,0,0,0|1,0,0]=3 95 B9R0.44 CC(C)(C)OC(=O)CCN HY-W007578 [0,2,0,0,0,0|2,0,0]=4 96 B9R0.44 CC(C)(C)OC(=O)CCN HY-W017970 [0,2,0,0,0,0|2,0,0]=4 97 B9R0.11 CC(C)(CC(=O)O)C(=O)O HY-W015641 [0,2,0,0,0,0|1,1,0]=4 98 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,1,0,0|0,0,2]=4 99 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,1,0,0|1,0,0]=3 100 B7R1.2 O=C1CCC(=O)C1 HY-75355 [1,0,0,1,0,0|0,1,1]=4 101 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [1,0,0,1,0,0|1,1,0]=4 102 B7R1.20 O=C(O)CC1CC1 HY-W010610 [1,0,0,1,0,0|1,0,0]=3 103 B9R1.10 CC1(C)CCC(=O)CC1 HY-W002564 [0,0,0,1,0,1|1,0,0]=3 104 B9R1.10 CC1(O)CCC(=O)CC1 HY-W036733 [0,0,0,1,0,1|0,1,0]=3 105 B9R1.66 CC1(C)CCCC(=O)C1 HY-79034 [0,1,0,1,0,0|1,0,0]=3 106 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,1,0,1,0,0|0,1,0]=3 107 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,1,0,1,0,0|0,1,0]=3 108 B9R1.138 CC1(C)COC(=O)C1O HY-W053519 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.138 [C@H]1(O)C(=O)OCC1(C)C HY-W010396 [0,1,0,1,0,0|2,0,0]=4 110 B5R0.5 CC(=O)N(C)C HY-W042416 [1,0,0,0,1,0|1,0,0]=3 111 B5R0.5 CC(N)C(=O)O HY-N2362 [1,0,0,0,1,0|2,0,0]=4 112 B5R0.5 CC(O)C(=O)O HY-B1530 [1,0,0,0,1,0|1,1,0]=4 113 B5R0.5 CC(O)C(=O)O HY-B2227 [1,0,0,0,1,0|1,1,0]=4 114 B5R0.5 CC(O)C(=O)O HY-B2227D [1,0,0,0,1,0|1,1,0]=4 115 B5R0.5 CC(O)C(=O)O HY-B2227R [1,0,0,0,1,0|1,1,0]=4 116 B5R0.5 CC(O)C(=O)O HY-W250313 [1,0,0,0,1,0|1,1,0]=4 117 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [1,0,0,0,1,0|1,1,0]=4 118 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [1,0,0,0,1,0|1,1,0]=4 119 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [1,0,0,0,1,0|2,0,0]=4 120 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [1,0,0,0,1,0|2,0,0]=4 121 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [1,0,0,0,1,0|1,1,0]=4 122 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [1,0,0,0,1,0|2,0,0]=4 123 B7R0.6 CC(C)CCC(=O)O HY-W015882 [1,0,0,0,0,1|1,0,0]=3 124 B7R0.6 CC(C)CCC(=O)O HY-W015882R [1,0,0,0,0,1|1,0,0]=3 125 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-101086 [0,0,0,0,0,2|2,0,0]=4 126 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282 [0,0,0,0,0,2|2,0,0]=4 127 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282A [0,0,0,0,0,2|2,0,0]=4 128 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282R [0,0,0,0,0,2|2,0,0]=4 129 B9R0.56 CC(=O)SCC[N+](C)(C)C HY-D0904 [0,0,0,0,0,2|2,0,0]=4