0 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.5 CCOC(=O)C[N+](=O)[O-] HY-76486 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [1,0,0,0,0,0|2,0,1]=4 8 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.2 CCC(C)CC(C)N HY-W015593 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.2 [C@H](N)(CO)CC(C)C HY-W012888 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [1,0,0,0,0,0|2,0,1]=4 17 B7R0.4 CCCCCC(C)N HY-B0952 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.4 CCCCCC(C)O HY-W015879 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.7 CCOC(=O)CCN HY-Y1153 [1,0,0,0,0,0|1,0,0]=2 20 B9R0.6 CCOC(=O)C(Cl)C(C)=O HY-Y0364 [0,1,0,0,0,0|1,0,1]=3 21 B9R0.6 CCOC(=O)C(N)C(C)C HY-W099254 [0,1,0,0,0,0|0,0,0]=1 22 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O HY-W040333 [0,1,0,0,0,0|1,0,0]=2 23 B9R0.23 CC(C)CC(=O)C(=O)O[Na] HY-W017387 [0,1,0,0,0,0|3,0,0]=4 24 B9R0.23 CC(C)OC(=O)[C@@H](N)CO HY-Z0711 [0,1,0,0,0,0|3,0,0]=4 25 B9R0.34 CCOC(=O)CC(=O)CC HY-78211 [0,1,0,0,0,0|1,0,1]=3 26 B9R0.34 CCOC(=O)CC(=O)O[K] HY-Y1031A [0,1,0,0,0,0|2,0,1]=4 27 B9R0.44 CC(C)(C)OC(=O)CCN HY-W007578 [0,1,0,0,0,0|3,0,0]=4 28 B9R0.44 CC(C)(C)OC(=O)CCN HY-W017970 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.48 O=C1CCCCC(=O)C1 HY-W002860 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.66 CC1(C)CCCC(=O)C1 HY-79034 [0,0,0,1,0,0|1,0,0]=2 31 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,0,0,1,0,0|1,0,0]=2 32 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,0,0,1,0,0|1,0,0]=2 33 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,0,0,0,1,0|1,0,1]=3 34 B7R0.5 CCOC(=O)C(N)=S HY-78216 [0,0,0,0,1,0|2,0,1]=4 35 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [0,0,0,0,1,0|1,0,0]=2 36 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [0,0,0,0,1,0|1,0,0]=2 37 B9R0.48 CCOC(=O)CNC(C)=O HY-W015651 [0,0,0,0,0,1|1,0,1]=3 38 B6R0.1 C=CCC(=O)OC HY-W105369 [2,0,0,0,0,0|0,0,2]=4 39 B6R0.1 CCCC(=O)O[Na] HY-B0350A [2,0,0,0,0,0|1,0,0]=3 40 B6R0.1 CCOC(=O)CN HY-76204 [2,0,0,0,0,0|1,0,0]=3 41 B6R0.1 COC(=O)CCN HY-W007648 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.1 COC(=O)CCO HY-42569 [2,0,0,0,0,0|1,0,0]=3 43 B6R0.1 COC(=O)OCCl HY-43384 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.1 O=C(CCO)O[Na] HY-W095705A [2,0,0,0,0,0|2,0,0]=4 45 B6R0.2 CC(C)CB(O)O HY-W000978 [2,0,0,0,0,0|1,0,1]=4 46 B6R0.2 CC(C)CC(=O)O HY-W012980 [2,0,0,0,0,0|0,0,0]=2 47 B6R0.2 CC(C)CC(N)=O HY-B1229 [2,0,0,0,0,0|1,0,0]=3 48 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [2,0,0,0,0,0|0,0,0]=2 49 B6R0.2 CC(N)CC(=O)O HY-W008833 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.2 CC(O)CC(=O)O HY-113378 [2,0,0,0,0,0|1,0,0]=3 51 B6R0.2 CN(C)CC(=O)O HY-W001158 [2,0,0,0,0,0|1,0,0]=3 52 B6R0.2 CN(C)CC(=O)O HY-Y0511 [2,0,0,0,0,0|1,0,0]=3 53 B6R0.2 CN(C)CC(=O)O HY-Y0511R [2,0,0,0,0,0|1,0,0]=3 54 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [2,0,0,0,0,0|1,0,0]=3 55 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.4 CC(C)CCCO HY-W007511 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.6 C(CO)=CCCC HY-W015936 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.6 CC\C=C/CCO HY-W010607 [2,0,0,0,0,0|2,0,0]=4 60 B8R0.2 CC(C)C(=O)C(=O)O[Na] HY-W006057A [1,1,0,0,0,0|1,0,1]=4 61 B8R0.2 COC(=O)C(N)C(C)C HY-W012519 [1,1,0,0,0,0|0,0,0]=2 62 B8R0.2 COC(=O)C(N)C(C)O HY-W008086A [1,1,0,0,0,0|1,0,0]=3 63 B8R0.2 COC(=O)[C@H](N)C(C)C HY-79708A [1,1,0,0,0,0|0,0,0]=2 64 B8R0.2 [13CH3]C([13CH3])C(=O)C(=O)O[Na] HY-W006057AS17 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C HY-W010077 [1,1,0,0,0,0|0,0,0]=2 66 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [1,1,0,0,0,0|1,0,1]=4 67 B8R0.19 COC(=O)CC(=O)OC HY-Y1787 [1,1,0,0,0,0|1,0,1]=4 68 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [1,1,0,0,0,0|1,0,1]=4 69 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [1,1,0,0,0,0|1,0,1]=4 70 B8R0.24 CC(C)(C)OC(=O)CN HY-75331 [1,1,0,0,0,0|2,0,0]=4 71 B8R0.24 CC(C)(C)OC(=O)CN HY-W007408 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.28 CC(C)CCCC(C)N HY-B1233 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.28 CC(C)CCCC(C)N HY-B1233A [1,1,0,0,0,0|1,0,1]=4 74 B8R0.1 CCOC(=O)CCCN HY-W010078 [1,1,0,0,0,0|0,0,0]=2 75 B8R0.1 CCOC(=O)CNC=O HY-W141893 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [1,1,0,0,0,0|0,0,0]=2 78 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [1,1,0,0,0,0|1,0,0]=3 79 B8R0.14 CC(C)(C)C(=O)OCCl HY-Y0643 [0,1,0,0,1,0|1,0,0]=3 80 B10R0.32 CCOC(=O)C(O)CC(C)C HY-W114581 [0,1,0,0,0,1|0,0,0]=2 81 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC HY-W009892 [0,1,0,0,0,1|0,0,0]=2 82 B10R0.108 CCOC(=O)CNC(=O)CN HY-W153793 [0,1,0,0,0,1|1,0,1]=4 83 B10R0.18 CCOCC(=O)CC(=O)OC HY-Z0785 [0,2,0,0,0,0|1,0,1]=4 84 B10R0.28 CC(C)(C)OC(=O)CCCO HY-W019095 [0,2,0,0,0,0|2,0,0]=4 85 B10R0.28 CC(C)(C)OC(=O)NCCN HY-40171 [0,2,0,0,0,0|2,0,0]=4 86 B10R0.28 CC(C)(C)OC(=O)NCCO HY-W007322 [0,2,0,0,0,0|2,0,0]=4 87 B10R0.28 CC(C)(C)OC(=O)NCCS HY-134853 [0,2,0,0,0,0|2,0,0]=4 88 B10R0.2 CCCC(=O)CC(=O)OCC HY-W015487 [0,2,0,0,0,0|1,0,1]=4 89 B8R1.4 CC1CCN=C(N)C1 HY-138564 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [1,0,0,1,0,0|0,0,2]=4 92 B8R1.11 CCN1CCCC1=O HY-B1620 [1,0,0,1,0,0|1,0,0]=3 93 B8R1.11 CCN1CCCC1=O HY-B1620B [1,0,0,1,0,0|1,0,0]=3 94 B8R1.11 CCN1CCCC1=O HY-B1620H [1,0,0,1,0,0|1,0,0]=3 95 B8R1.11 CCN1CCCC1=O HY-B1620I [1,0,0,1,0,0|1,0,0]=3 96 B8R1.11 CCN1CCCC1=O HY-B1620J [1,0,0,1,0,0|1,0,0]=3 97 B8R1.11 CCN1CCCC1=O HY-B1620L [1,0,0,1,0,0|1,0,0]=3 98 B8R1.11 CCN1CCCC1=O HY-B1620O [1,0,0,1,0,0|1,0,0]=3 99 B8R1.5 CC1CCCCC1=O HY-W010549 [0,0,0,1,1,0|1,0,0]=3 100 B8R1.5 NC1CCCNC1=O HY-21088 [0,0,0,1,1,0|2,0,0]=4 101 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,0,0,1,1,0|2,0,0]=4 102 B10R1.64 CC(=O)N[C@H]1CCOC1=O HY-W243002 [0,0,0,1,0,1|1,0,1]=4 103 B10R1.149 CCC(C)N1CCCC1=O HY-B2234 [0,1,0,1,0,0|2,0,0]=4 104 B10R1.329 CC1(C)CC(=O)CC(=O)C1 HY-W015740 [0,1,0,1,0,0|1,0,1]=4 105 B10R1.329 CC1=CC(=O)CC(C)(C)C1 HY-Y0932 [0,1,0,1,0,0|1,0,1]=4 106 B10R2.71 O=C1CC2CCC(C1)N2 HY-76030 [0,0,0,2,0,0|2,0,0]=4 107 B6R0.3 C=C(C)C(=O)OC HY-W391506 [1,0,0,0,1,0|0,0,2]=4 108 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [1,0,0,0,1,0|1,0,0]=3 109 B6R0.3 CC(O)C(=O)O[Na] HY-B2227B [1,0,0,0,1,0|2,0,0]=4 110 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,0,0,0,1,0|1,0,1]=4 111 B6R0.3 COC(=O)C(C)N HY-W010324 [1,0,0,0,1,0|1,0,0]=3 112 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [1,0,0,0,1,0|1,0,0]=3 113 B6R0.3 C[C@@H](O)C(=O)O[Na] HY-111095B [1,0,0,0,1,0|2,0,0]=4 114 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233 [1,0,0,0,1,0|2,0,0]=4 115 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233B [1,0,0,0,1,0|2,0,0]=4 116 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233R [1,0,0,0,1,0|2,0,0]=4 117 B6R0.3 [13CH3][C@H](O)C(=O)O[Na] HY-B2227BS3 [1,0,0,0,1,0|2,0,0]=4 118 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [1,0,0,0,1,0|1,0,0]=3 119 B6R0.3 [Li]OC(=O)C(C)O HY-W010625 [1,0,0,0,1,0|2,0,0]=4 120 B6R0.3 [Li]OC(=O)[C@H](C)O HY-D0884 [1,0,0,0,1,0|2,0,0]=4