0 B7R0.6 CC(=O)CCC(C)=O AC130061 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 CN(C)CCC(O)=O AC511515 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.4 CC(=O)CCCCl AC511746 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.4 COCCC(O)=O AC100057 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.4 CSCCC(O)=O HY-101401 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.4 OC(=O)CCC#C AC510868 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.4 OC(=O)CCC#N AC512077 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.4 OC(=O)CCC=C AC511045 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.4 OC(=O)CCCBr AC511629 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.4 [O-]C(=O)CCC#C HY-15286 [1,0,0,0,0,0|1,0,2]=4 10 B8R0.9 NC(CCC(O)=O)C=C HY-15399 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.9 NC(CCC(O)=O)C=C HY-B0033 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.9 NCC(=O)CCC(O)=O AC050222 [0,1,0,0,0,0|1,0,0]=2 13 B8R0.9 NCC(=O)CCC(O)=O AC510831 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.9 NCC(=O)CCC(O)=O HY-N0305 [0,1,0,0,0,0|1,0,0]=2 15 B8R0.23 CC(C)C[C@@H](N)C(O)=O AC180566 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.23 CC(C)[C@@H](CC(=O)O)N LN01359931 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.23 CC(C)[C@@H](CC(=O)O)N LN01364924 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.23 CC(C)[C@H](CC(=O)O)N LN00009939 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.23 CC(C)[C@H](CC(=O)O)N LN01366567 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.23 C[C@@H](CC(=O)O)C(=O)O LN01743142 [0,1,0,0,0,0|0,0,0]=1 21 B8R0.23 C[C@H](NC(C)=O)C(O)=O AC190198 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.23 C[C@H](OC(C)=O)C(O)=O AC020546 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.23 O[C@H](CC(O)=O)C(O)=O AC180071 [0,1,0,0,0,0|0,0,0]=1 24 B8R0.29 OC(=O)CCC(F)(F)F AC510760 [0,1,0,0,0,0|2,0,1]=4 25 B8R1.3 OC1CCC(=O)CC1 AC070138 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.3 OC1CCC(=O)NC1 AC050438 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.3 O[C@@H]1CCC(=O)NC1 AC050213 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.3 O[C@H]1CCC(=O)NC1 AC050474 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.23 CN1CC(C1)C(O)=O AC190103 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.23 OC(=O)C1CC(=C)C1 AC021200 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.23 OC(=O)C1CC(=O)C1 AC130079 [0,0,0,1,0,0|1,0,0]=2 32 B8R1.77 OC(=O)C1CC1(F)F AC040002 [0,0,0,1,0,0|2,0,1]=4 33 B6R0.2 CN(C)CC(O)=O AC130146 [0,0,0,0,1,0|3,0,0]=4 34 B6R0.2 CN(C)CC(O)=O AC130178 [0,0,0,0,1,0|3,0,0]=4 35 B6R0.2 C[C@@H](CC(=O)O)N LN01357699 [0,0,0,0,1,0|2,0,1]=4 36 B6R0.2 C[C@H](N)CC(O)=O AC130275 [0,0,0,0,1,0|2,0,1]=4 37 B6R0.2 NC(=N)CC(N)=O AC500311 [0,0,0,0,1,0|3,0,0]=4 38 B8R0.28 CC(=O)CCCC(O)=O AC180079 [0,0,0,0,0,1|1,0,0]=2 39 B8R0.28 CN(C)CCCC(O)=O AC130623 [0,0,0,0,0,1|3,0,0]=4 40 B5R0.1 CCCC([O-])=O HY-B0350A [2,0,0,0,0,0|0,0,2]=4 41 B5R0.1 CNCC(O)=O AC500168 [2,0,0,0,0,0|1,0,1]=4 42 B5R0.1 C[C@@H](O)CCO AC500114 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.1 NCCC(N)=O AC510910 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 NCCS(O)=O HY-100803 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.1 OC(=O)CC#C AC511130 [2,0,0,0,0,0|0,0,2]=4 46 B5R0.1 OCC[N+]([O-])=O AC510890 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.2 O=CNNC=O AC130272 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.2 CC[C@H](C)CC(O)=O AC181465 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.3 COC(=O)CCCBr AC511051 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.3 COC(=O)CCCN AC510644 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.4 COCCCC(O)=O AC100091 [1,1,0,0,0,0|0,0,1]=3 52 B7R0.5 CCC[C@H](N)C(O)=O AC180580 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.5 COC[C@@H](N)C(O)=O AC021210 [1,1,0,0,0,0|2,0,0]=4 54 B7R0.5 COC[C@H](N)C(O)=O AC511991 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.5 NC(CCO)C(O)=O AC511583 [1,1,0,0,0,0|0,0,1]=3 56 B7R0.5 NCCC(N)C(O)=O AC511576 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.5 NCC[C@H](N)C(O)=O HY-101414 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.5 NCC[C@H](O)C(O)=O AC181087 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.5 N[C@@H](CC#C)C(O)=O AC030195 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.5 N[C@@H](CCO)C(O)=O AC180567 [1,1,0,0,0,0|0,0,1]=3 61 B7R0.9 CS(=O)(=O)CC(O)=O AC511075 [0,1,0,0,1,0|1,0,1]=4 62 B7R0.16 C[C@@H](O)[C@@H](N)C(O)=O AC180082 [0,1,0,0,1,0|1,0,1]=4 63 B7R0.16 C[C@@H](O)[C@@H](N)C(O)=O AC510903 [0,1,0,0,1,0|1,0,1]=4 64 B7R0.16 C[C@H](O)[C@H](N)C(O)=O AC511642 [0,1,0,0,1,0|1,0,1]=4 65 B7R0.16 NC(C(N)=O)C(N)=O AC180316 [0,1,0,0,1,0|2,0,0]=4 66 B9R0.7 CC(=O)OC[C@H](N)C(O)=O HY-101409 [0,1,0,0,0,1|1,0,0]=3 67 B9R0.7 NC(CCC(N)=O)C(O)=O HY-B1346 [0,1,0,0,0,1|1,0,0]=3 68 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O HY-N0390 [0,1,0,0,0,1|1,0,0]=3 69 B9R0.7 N[C@H](CCC(N)=O)C(O)=O HY-100587 [0,1,0,0,0,1|1,0,0]=3 70 B9R0.7 N[C@H](CCC(O)=O)C(O)=O AC510929 [0,1,0,0,0,1|0,0,0]=2 71 B9R0.7 N[C@H](CCC(O)=O)C(O)=O HY-100805 [0,1,0,0,0,1|0,0,0]=2 72 B9R0.7 O[C@H](CCC([O-])=O)C([O-])=O HY-100542 [0,1,0,0,0,1|0,0,2]=4 73 B9R0.53 CN(CC(O)=O)CC(O)=O AC511698 [0,1,0,0,0,1|0,0,0]=2 74 B9R0.53 OC(=O)CS(=O)CC(O)=O AC010141 [0,1,0,0,0,1|0,0,0]=2 75 B9R0.24 COC(=O)/C=C/C(=O)OC HY-17363 [0,2,0,0,0,0|0,0,2]=4 76 B9R0.24 COC(=O)C#CC(=O)OC AC050644 [0,2,0,0,0,0|0,0,2]=4 77 B9R0.48 CCOC(=O)CCC(C)=O AC510825 [0,2,0,0,0,0|1,0,0]=3 78 B9R0.39 CC(=O)N[C@@H](CS)C(O)=O HY-B0215 [0,2,0,0,0,0|2,0,0]=4 79 B9R0.39 CN[C@H](CC(O)=O)C(O)=O HY-17551 [0,2,0,0,0,0|0,0,0]=2 80 B9R0.79 O[C@H]([C@@H](O)C(O)=O)C(O)=O HY-D0850 [0,2,0,0,0,0|0,0,0]=2 81 B7R1.2 O=C1CCC(=O)C1 AC170075 [1,0,0,1,0,0|1,0,0]=3 82 B7R1.3 O=C1CCCOC1 AC220056 [1,0,0,1,0,0|1,0,1]=4 83 B7R1.12 C1C(C1F)C(=O)O LN00218531 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LN00204303 [1,0,0,1,0,0|1,0,1]=4 85 B7R1.12 C1[C@H]([C@H]1F)C(=O)O LN00111579 [1,0,0,1,0,0|1,0,1]=4 86 B7R1.12 OC(=O)[C@H]1C[C@@H]1F AC050918 [1,0,0,1,0,0|1,0,1]=4 87 B7R1.18 OC(=O)C1CCC1 AC131374 [1,0,0,1,0,0|1,0,1]=4 88 B7R1.18 OC(=O)C1CCN1 AC180596 [1,0,0,1,0,0|1,0,1]=4 89 B7R1.18 OC(=O)C1COC1 AC511276 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.35 OC(=O)C1CCC(=O)C1 AC160621 [0,0,0,1,0,1|1,0,0]=3 91 B9R1.35 OC(=O)C1CCC(=O)N1 AC511521 [0,0,0,1,0,1|1,0,0]=3 92 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 AC190184 [0,0,0,1,0,1|1,0,0]=3 93 B9R1.35 OC(=O)[C@H]1CCC(=O)N1 AC180591 [0,0,0,1,0,1|1,0,0]=3 94 B9R1.35 O[C@@H]1CN[C@H](C1)C(O)=O AC182277 [0,0,0,1,0,1|1,0,1]=4 95 B9R1.35 O[C@H]1CN[C@H](C1)C(O)=O AC020366 [0,0,0,1,0,1|1,0,1]=4 96 B9R1.53 CC(=O)OC1CC(=O)N1 AC280001 [0,0,0,1,0,1|2,0,0]=4 97 B9R1.82 COC(=O)C1CC(=O)C1 AC510932 [0,1,0,1,0,0|1,0,0]=3 98 B5R0.5 CC(=O)C(O)=O AC500188 [0,0,0,0,2,0|1,0,0]=3 99 B5R0.5 OC(=O)C(F)=C AC511915 [0,0,0,0,2,0|2,0,0]=4 100 B9R0.55 CC(=O)NCCCC(O)=O HY-101411 [0,0,0,0,0,2|1,0,0]=3 101 B9R0.55 OC(=O)/C=C\C=C/C(O)=O AC070081 [0,0,0,0,0,2|0,0,2]=4