0 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.5 CCOC(=O)C(N)=S HY-78216 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.1 CCCC(=O)O[Na] HY-B0350A [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 CCOC(=O)CN HY-76204 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.1 COC(=O)CCN HY-W007648 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 COC(=O)CCO HY-42569 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.1 COC(=O)OCCl HY-43384 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.3 C=C(C)C(=O)OC HY-W391506 [1,0,0,0,0,0|0,0,2]=3 11 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [1,0,0,0,0,0|1,0,0]=2 12 B6R0.3 CC(C)[C@H](N)CO HY-30167A [1,0,0,0,0,0|2,0,1]=4 13 B6R0.3 CC(O)C(=O)O[Na] HY-B2227B [1,0,0,0,0,0|2,0,0]=3 14 B6R0.3 CCC(=O)C(=O)O HY-W007926 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.3 CCC(=O)C(=O)O HY-W007926R [1,0,0,0,0,0|2,0,1]=4 16 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.3 COC(=O)C(C)N HY-W010324 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.3 C[C@@H](O)C(=O)O[Na] HY-111095B [1,0,0,0,0,0|2,0,0]=3 20 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233B [1,0,0,0,0,0|2,0,0]=3 22 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233R [1,0,0,0,0,0|2,0,0]=3 23 B6R0.3 O=C(CBr)C(Br)Br HY-133624 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.3 O=C(O[Na])C(Cl)Cl HY-Y0445A [1,0,0,0,0,0|3,0,0]=4 25 B6R0.3 [13CH3][C@H](O)C(=O)O[Na] HY-B2227BS3 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.3 [Li]OC(=O)C(C)O HY-W010625 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.3 [Li]OC(=O)[C@H](C)O HY-D0884 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.4 CC(C)CCCO HY-W007511 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.2 CC(C)C(=O)C(=O)O[Na] HY-W006057A [0,1,0,0,0,0|3,0,0]=4 31 B8R0.2 [13CH3]C([13CH3])C(=O)C(=O)O[Na] HY-W006057AS17 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [0,1,0,0,0,0|1,0,0]=2 35 B8R0.8 C=C(C)C(=O)OCCO HY-W012723 [0,1,0,0,0,0|0,0,2]=3 36 B8R0.14 CC(C)(C)C(=O)OCCl HY-Y0643 [0,1,0,0,0,0|1,0,0]=2 37 B8R1.5 CC1CCCCC1=O HY-W010549 [0,0,0,1,0,0|1,0,0]=2 38 B8R1.5 NC1CCCNC1=O HY-21088 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,0,0,1,0,0|2,0,0]=3 40 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [0,0,0,1,0,0|1,0,1]=3 43 B8R1.19 CC1(C)CCC=[N+]1[O-] HY-107690 [0,0,0,1,0,0|2,0,1]=4 44 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,0,0,0,0,1|0,0,1]=2 45 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,0,0,0,0,1|2,0,1]=4 46 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,0,0,0,0,1|1,0,1]=3 47 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [0,0,0,0,0,1|1,0,0]=2 48 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [0,0,0,0,0,1|1,0,0]=2 49 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [0,0,0,0,0,1|1,0,0]=2 50 B8R0.5 CCOC(=O)C[N+](=O)[O-] HY-76486 [0,0,0,0,0,1|3,0,0]=4 51 B5R0.1 CC(=O)CCO HY-W051287 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.1 CC(=O)NCO HY-W024564 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.1 CC(C)=CCO HY-W013035 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.1 CCCC(N)=O HY-W088319 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.1 CCOC(N)=O HY-B1207R [2,0,0,0,0,0|1,0,0]=3 57 B5R0.2 CC\C=C/CO HY-W030347 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.3 CCC(=O)CO HY-W005327 [2,0,0,0,0,0|1,0,0]=3 59 B5R0.3 CCC(=O)O[Na] HY-B1773A [2,0,0,0,0,0|1,0,0]=3 60 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [2,0,0,0,0,0|1,0,0]=3 61 B5R0.3 COC(=O)CN HY-Y1789 [2,0,0,0,0,0|1,0,0]=3 62 B5R0.3 NCC(=O)O[Na] HY-W015946 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.3 O=C(CI)O[Na] HY-D0849 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.3 O=C(CO)CO HY-Y0335 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.3 O=C(CO)O[Na] HY-W088011B [2,0,0,0,0,0|2,0,0]=4 66 B5R0.3 O=C(CS)O[Na] HY-W115724 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.5 CC(=O)C(=O)O HY-Y0781 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.5 CC(=O)C(=O)O HY-Y0781R [2,0,0,0,0,0|1,0,1]=4 69 B5R0.5 CC(=O)N(C)C HY-W042416 [2,0,0,0,0,0|1,0,0]=3 70 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.5 CC(N)C(=O)O HY-N2362 [2,0,0,0,0,0|1,0,0]=3 72 B5R0.5 CC(O)C(=O)O HY-B1530 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.5 CC(O)C(=O)O HY-B2227 [2,0,0,0,0,0|1,0,0]=3 74 B5R0.5 CC(O)C(=O)O HY-B2227D [2,0,0,0,0,0|1,0,0]=3 75 B5R0.5 CC(O)C(=O)O HY-B2227R [2,0,0,0,0,0|1,0,0]=3 76 B5R0.5 CC(O)C(=O)O HY-W250313 [2,0,0,0,0,0|1,0,0]=3 77 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [2,0,0,0,0,0|1,0,1]=4 78 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [2,0,0,0,0,0|1,0,1]=4 79 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [2,0,0,0,0,0|1,0,0]=3 81 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [2,0,0,0,0,0|1,0,0]=3 82 B5R0.5 O=C(O)C(Br)Br HY-23399 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.5 O=C(O)C(O)O HY-W019724 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.3 COC(=O)CCCBr HY-W004701 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.3 COC(=O)CCCN HY-79594 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.7 CCOC(=O)CCN HY-Y1153 [1,1,0,0,0,0|0,0,0]=2 90 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.8 CCCCC(C)(C)O HY-W111893 [1,1,0,0,0,0|1,0,1]=4 92 B9R0.6 CCOC(=O)C(Cl)C(C)=O HY-Y0364 [0,1,0,0,0,1|1,0,1]=4 93 B9R0.6 CCOC(=O)C(N)C(C)C HY-W099254 [0,1,0,0,0,1|0,0,0]=2 94 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O HY-W040333 [0,1,0,0,0,1|1,0,0]=3 95 B9R0.23 CC(C)OC(=O)[C@@H](N)CO HY-Z0711 [0,1,0,0,0,1|2,0,0]=4 96 B9R0.34 CCOC(=O)CC(=O)CC HY-78211 [0,1,0,0,0,1|1,0,1]=4 97 B9R0.44 CC(C)(C)OC(=O)CCN HY-W007578 [0,1,0,0,0,1|2,0,0]=4 98 B9R0.44 CC(C)(C)OC(=O)CCN HY-W017970 [0,1,0,0,0,1|2,0,0]=4 99 B9R0.35 CCCC(C)C(=O)OCC HY-W015667 [0,2,0,0,0,0|0,0,0]=2 100 B9R0.35 CCC[C@H](N)C(=O)OCC HY-75949 [0,2,0,0,0,0|1,0,0]=3 101 B9R0.7 CC(C)C(=O)NCC(=O)O HY-W141928 [0,2,0,0,0,0|1,0,1]=4 102 B9R0.57 CC(N)C(=O)OC(C)(C)C HY-W007722A [0,2,0,0,0,0|1,0,0]=3 103 B9R0.57 [C@@H](C)(N)C(=O)OC(C)(C)C HY-W007722 [0,2,0,0,0,0|1,0,0]=3 104 B9R0.57 [C@H](C)(N)C(=O)OC(C)(C)C HY-W016426 [0,2,0,0,0,0|1,0,0]=3 105 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,1,0,0|1,0,1]=4 106 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,0,0,1,0,0|0,0,2]=4 107 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,1,0,0|0,0,0]=2 108 B7R1.2 O=C1CCC(=O)O1 HY-79369 [1,0,0,1,0,0|1,0,1]=4 109 B7R1.3 O=C1CCCCN1 HY-W042193 [1,0,0,1,0,0|1,0,0]=3 110 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,1,0,0|0,0,0]=2 111 B7R1.3 O=C1CCOCC1 HY-76487 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.3 O=C1CCSCC1 HY-W002007 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.3 O=C1CNCCN1 HY-20128 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.4 CN1CCCC1=O HY-Y1275 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.4 CN1CCNC1=O HY-W005507 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.4 NC1CCSC1=O HY-101404 [1,0,0,1,0,0|1,1,0]=4 117 B7R1.4 N[C@H]1CCSC1=O HY-101404A [1,0,0,1,0,0|1,1,0]=4 118 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [1,0,0,1,0,0|1,0,0]=3 119 B9R1.66 CC1(C)CCCC(=O)C1 HY-79034 [0,0,0,1,0,1|1,0,0]=3 120 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,0,0,1,0,1|1,0,0]=3 121 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,0,0,1,0,1|1,0,0]=3 122 B9R1.3 CN1CCCN(C)C1=O HY-Y0100 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.5 N[C@H]1CCCCNC1=O HY-W015366 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.69 CC1CN(C)CCC1=O HY-76718 [0,1,0,1,0,0|1,0,0]=3 125 B9R1.73 CCOC(=O)C1CNC1 HY-W052600 [0,1,0,1,0,0|0,0,0]=2 126 B9R0.48 CCOC(=O)CNC(C)=O HY-W015651 [0,0,0,0,0,2|1,0,1]=4