0 B8R0.5 CCCC(O)CC(=O)O HY-113836 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [0,0,0,0,0,0|0,0,2]=2 5 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [0,0,0,0,0,0|0,0,2]=2 7 B8R0.5 CCOC(=O)C[N+](=O)[O-] HY-76486 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [1,0,0,0,0,0|1,0,0]=2 9 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.2 CCC(C)CC(=O)O HY-W010513 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.2 CCC(C)CC(=O)O HY-W010513R [1,0,0,0,0,0|2,0,1]=4 12 B7R0.2 CCC(C)OC(C)=O HY-158759 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.2 CCC(O)CC(=O)O HY-113004 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [1,0,0,0,0,0|0,0,0]=1 15 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [1,0,0,0,0,0|0,0,2]=3 18 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [1,0,0,0,0,0|0,0,2]=3 19 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [1,0,0,0,0,0|1,0,0]=2 20 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.7 CCOC(=O)CCN HY-Y1153 [1,0,0,0,0,0|1,0,1]=3 23 B9R0.6 CCOC(=O)C(Cl)C(C)=O HY-Y0364 [0,1,0,0,0,0|0,0,0]=1 24 B9R0.6 CCOC(=O)C(N)C(C)C HY-W099254 [0,1,0,0,0,0|1,0,1]=3 25 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O HY-W040333 [0,1,0,0,0,0|0,0,2]=3 26 B9R0.34 CCCC(O)CC(=O)OC HY-116632 [0,1,0,0,0,0|1,0,2]=4 27 B9R0.34 CCOC(=O)CC(=O)CC HY-78211 [0,1,0,0,0,0|0,0,0]=1 28 B9R0.34 CCOC(=O)CC(=O)O[K] HY-Y1031A [0,1,0,0,0,0|1,0,0]=2 29 B9R1.48 O=C1CCCCC(=O)C1 HY-W002860 [0,0,0,1,0,0|1,0,0]=2 30 B9R1.66 CC1(C)CCCC(=O)C1 HY-79034 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,0,0,1,0,0|0,0,2]=3 32 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,0,0,1,0,0|0,0,2]=3 33 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,0,0,0,1,0|2,0,0]=3 34 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,0,0,0,1,0|0,0,0]=1 35 B7R0.5 CCOC(=O)C(N)=S HY-78216 [0,0,0,0,1,0|1,1,0]=3 36 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [0,0,0,0,1,0|1,0,1]=3 37 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [0,0,0,0,1,0|1,0,1]=3 38 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [0,0,0,0,1,0|3,0,0]=4 39 B9R0.48 CCCC(=O)NCC(=O)O HY-113119 [0,0,0,0,0,1|2,0,0]=3 40 B9R0.48 CCOC(=O)CNC(C)=O HY-W015651 [0,0,0,0,0,1|0,0,0]=1 41 B9R0.48 CCOC(=O)\C=C\C(=O)O HY-W019696 [0,0,0,0,0,1|1,0,1]=3 42 B6R0.1 C=CCC(=O)OC HY-W105369 [2,0,0,0,0,0|0,0,1]=3 43 B6R0.1 CCCC(=O)O[Na] HY-B0350A [2,0,0,0,0,0|1,0,1]=4 44 B6R0.1 CCOC(=O)CN HY-76204 [2,0,0,0,0,0|1,0,0]=3 45 B6R0.1 COC(=O)CCN HY-W007648 [2,0,0,0,0,0|1,0,1]=4 46 B6R0.1 COC(=O)CCO HY-42569 [2,0,0,0,0,0|0,0,2]=4 47 B6R0.1 COC(=O)OCCl HY-43384 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [2,0,0,0,0,0|0,0,2]=4 49 B6R0.2 CC(C)CC(=O)O HY-W012980 [2,0,0,0,0,0|1,0,1]=4 50 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [2,0,0,0,0,0|1,0,1]=4 51 B6R0.2 CC(N)CC(=O)O HY-W008833 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.2 CC(O)CC(=O)O HY-113378 [2,0,0,0,0,0|0,0,2]=4 53 B6R0.2 CN(C)CC(=O)O HY-W001158 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.2 CN(C)CC(=O)O HY-Y0511 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.2 CN(C)CC(=O)O HY-Y0511R [2,0,0,0,0,0|2,0,0]=4 56 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [2,0,0,0,0,0|0,0,2]=4 57 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [2,0,0,0,0,0|0,0,2]=4 59 B6R0.2 O=C(O)[Ca]C(=O)O HY-Y0262D [2,0,0,0,0,0|2,0,0]=4 60 B6R0.2 O=C(O)[SnH2]C(=O)O HY-W105856 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.2 O=C([O-])CC(=O)[O-] HY-W283726 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.4 CCCCC(N)=O HY-W144037 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.4 CCNCC(=O)O HY-W141879 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.4 CCOCC(=O)O HY-W027555 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.4 CC\C=C\C(=O)O HY-W061674 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.4 C\C=C\CC(=O)O HY-W088501 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.6 CCC\C=C\C=O HY-128429 [2,0,0,0,0,0|1,0,1]=4 68 B8R0.2 COC(=O)C(N)C(C)C HY-W012519 [1,1,0,0,0,0|1,0,1]=4 69 B8R0.2 COC(=O)C(N)C(C)O HY-W008086A [1,1,0,0,0,0|0,0,2]=4 70 B8R0.2 COC(=O)[C@H](N)C(C)C HY-79708A [1,1,0,0,0,0|1,0,1]=4 71 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C HY-W010077 [1,1,0,0,0,0|1,0,1]=4 72 B8R0.16 COC(CC(C)=O)OC HY-Y0035 [1,1,0,0,0,0|0,0,2]=4 73 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [1,1,0,0,0,0|0,0,0]=2 74 B8R0.19 COC(=O)CC(=O)OC HY-Y1787 [1,1,0,0,0,0|0,0,0]=2 75 B8R0.19 O=C(CC(=O)O[Na])O[Na] HY-W017165 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.19 O=C(CI)OC(=O)CI HY-W686605 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.7 CCCCCCC(C)=O HY-W010409 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.7 NCCOCCC(=O)O HY-140002 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.7 O=C(O)CCOCCO HY-116655 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.1 CCOC(=O)CCCN HY-W010078 [1,1,0,0,0,0|0,0,1]=3 81 B8R0.1 CCOC(=O)CNC=O HY-W141893 [1,1,0,0,0,0|0,0,0]=2 82 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [1,1,0,0,0,0|0,0,1]=3 83 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [1,1,0,0,0,0|0,0,2]=4 84 B10R0.26 C=C(CC(=O)OCC)C(=O)O HY-W076778 [0,1,0,0,0,1|1,0,0]=3 85 B10R0.32 CCOC(=O)C(O)CC(C)C HY-W114581 [0,1,0,0,0,1|1,0,1]=4 86 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC HY-W009892 [0,1,0,0,0,1|1,0,1]=4 87 B10R0.57 CCC(C)C(=O)NCC(=O)O HY-W141919 [0,1,0,0,0,1|2,0,0]=4 88 B10R0.96 CC(C)CC(=O)NCC(=O)O HY-W015464 [0,1,0,0,0,1|2,0,0]=4 89 B10R0.108 CCOC(=O)CNC(=O)CN HY-W153793 [0,1,0,0,0,1|0,0,0]=2 90 B10R0.18 CCCCC(=O)CC(=O)OC HY-W099750 [0,2,0,0,0,0|1,0,0]=3 91 B10R0.18 CCOCC(=O)CC(=O)OC HY-Z0785 [0,2,0,0,0,0|0,0,0]=2 92 B10R0.2 CCCC(=O)CC(=O)OCC HY-W015487 [0,2,0,0,0,0|0,0,0]=2 93 B10R0.2 CCOC(=O)OC(=O)OCC HY-D0846 [0,2,0,0,0,0|1,0,0]=3 94 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [1,0,0,1,0,0|0,0,0]=2 95 B8R1.4 O=C1CCCC(=O)N1 HY-I0466 [1,0,0,1,0,0|1,0,0]=3 96 B8R1.4 O=C1CCNC(=O)N1 HY-W012926 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.4 O=C1COCC(=O)O1 HY-W074326 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [1,0,0,1,0,0|0,0,2]=4 99 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [1,0,0,1,0,0|1,0,0]=3 100 B8R1.18 CN1CC(=O)NC1=O HY-113382 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.22 O=C1CCCNCC1 HY-W001845 [1,0,0,1,0,0|1,0,1]=4 102 B8R1.11 CCN1CCCC1=O HY-B1620 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.11 CCN1CCCC1=O HY-B1620B [1,0,0,1,0,0|1,0,1]=4 104 B8R1.11 CCN1CCCC1=O HY-B1620H [1,0,0,1,0,0|1,0,1]=4 105 B8R1.11 CCN1CCCC1=O HY-B1620I [1,0,0,1,0,0|1,0,1]=4 106 B8R1.11 CCN1CCCC1=O HY-B1620J [1,0,0,1,0,0|1,0,1]=4 107 B8R1.11 CCN1CCCC1=O HY-B1620L [1,0,0,1,0,0|1,0,1]=4 108 B8R1.11 CCN1CCCC1=O HY-B1620O [1,0,0,1,0,0|1,0,1]=4 109 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,0,0,1,1,0|1,0,0]=3 110 B10R1.64 CC(=O)NC1CCSC1=O HY-B0931 [0,0,0,1,0,1|0,1,0]=3 111 B10R1.64 CC(=O)N[C@H]1CCOC1=O HY-W243002 [0,0,0,1,0,1|0,0,0]=2 112 B10R1.64 NC(=O)CN1CCCC1=O HY-B0585 [0,0,0,1,0,1|2,0,0]=4 113 B10R1.64 NC(=O)CN1CCCC1=O HY-B0585R [0,0,0,1,0,1|2,0,0]=4 114 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 HY-W017542 [0,0,0,1,0,1|2,0,0]=4 115 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 HY-W048995 [0,0,0,1,0,1|2,0,0]=4 116 B10R1.475 CCC1(C)CC(=O)NC1=O HY-B1378 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.329 CC1(C)CC(=O)CC(=O)C1 HY-W015740 [0,1,0,1,0,0|1,0,0]=3 118 B10R1.329 CC1(C)OC(=O)CC(=O)O1 HY-Y0232 [0,1,0,1,0,0|1,0,0]=3 119 B6R0.3 C=C(C)C(=O)OC HY-W391506 [1,0,0,0,1,0|1,0,0]=3 120 B6R0.3 CCC(=O)C(=O)O HY-W007926 [1,0,0,0,1,0|1,0,0]=3 121 B6R0.3 CCC(=O)C(=O)O HY-W007926R [1,0,0,0,1,0|1,0,0]=3 122 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,0,0,0,1,0|0,0,0]=2 123 B6R0.3 COC(=O)C(C)N HY-W010324 [1,0,0,0,1,0|1,0,1]=4 124 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [1,0,0,0,1,0|1,0,1]=4 125 B6R0.3 CON(C)C(C)=O HY-W001095 [1,0,0,0,1,0|2,0,0]=4 126 B6R0.3 NC(=O)C(=O)O[Na] HY-W013032A [1,0,0,0,1,0|2,0,0]=4 127 B6R0.3 O=C(O)C(=O)CBr HY-19992 [1,0,0,0,1,0|2,0,0]=4 128 B6R0.3 O=C(O)C(=O)O[K] HY-W115775 [1,0,0,0,1,0|2,0,0]=4 129 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [1,0,0,0,1,0|1,0,1]=4