0 B9R0.23 CC(C)CC(=O)C(=O)O[Na] HY-W017387 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.23 COC(=O)C(O)CC(C)C HY-22167 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.23 COC(=O)[C@H](N)CC(C)C HY-W016425 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC HY-W016427 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [1,0,0,0,0,0|0,0,2]=3 5 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [1,0,0,0,0,0|0,0,2]=3 7 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [1,0,0,0,0,0|0,0,2]=3 8 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [1,0,0,0,0,0|0,0,0]=1 10 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [1,0,0,0,0,0|0,0,0]=1 11 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [1,0,0,0,0,0|1,0,0]=2 14 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [1,0,0,0,0,0|0,0,0]=1 17 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [1,0,0,0,0,0|0,0,0]=1 18 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.23 CS(=O)C[C@H](N)C(=O)O HY-W017404 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311R [1,0,0,0,0,0|2,0,1]=4 22 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558R [1,0,0,0,0,0|2,0,1]=4 24 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069 [1,0,0,0,0,0|2,0,1]=4 25 B10R0.32 CCOC(=O)C(O)CC(C)C HY-W114581 [0,1,0,0,0,0|0,0,0]=1 26 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC HY-W009892 [0,1,0,0,0,0|1,0,0]=2 27 B10R0.46 COC(=O)CC(N)C(=O)OC HY-W067478 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.46 [C@H](N)(CC(=O)OC)C(=O)OC HY-W009840 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 HY-W057459 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 HY-76043 [0,0,0,1,0,0|2,0,0]=3 31 B8R0.2 CC(C)C(=O)C(=O)O[Na] HY-W006057A [0,0,0,0,1,0|1,0,2]=4 32 B8R0.2 COC(=O)C(N)C(C)C HY-W012519 [0,0,0,0,1,0|1,0,0]=2 33 B8R0.2 COC(=O)C(N)C(C)O HY-W008086A [0,0,0,0,1,0|2,0,0]=3 34 B8R0.2 COC(=O)[C@H](N)C(C)C HY-79708A [0,0,0,0,1,0|1,0,0]=2 35 B8R0.2 [13CH3]C([13CH3])C(=O)C(=O)O[Na] HY-W006057AS17 [0,0,0,0,1,0|1,0,2]=4 36 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C HY-W010077 [0,0,0,0,1,0|1,0,0]=2 37 B7R0.3 CCCCC(=O)NN HY-W012890 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.3 COC(=O)CCCBr HY-W004701 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.3 COC(=O)CCCN HY-79594 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.5 CCCC(=O)C(=O)O HY-113098 [2,0,0,0,0,0|0,0,2]=4 41 B7R0.5 CCCC(C)C(=O)O HY-W010516 [2,0,0,0,0,0|1,0,0]=3 42 B7R0.5 CCCC(N)C(=O)O HY-W010510 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.5 NC(CCO)C(=O)O HY-W012870 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.5 NC(CCS)C(=O)O HY-W040821 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [2,0,0,0,0,0|2,0,0]=4 52 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [2,0,0,0,0,0|2,0,0]=4 54 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [2,0,0,0,0,0|2,0,0]=4 56 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.10 COC(=O)C(N)CO HY-W013622 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [2,0,0,0,0,0|2,0,0]=4 61 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.10 COC(=O)[C@H](N)CS HY-W018865 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.2 [C@H](N)(CO)CC(C)C HY-W012888 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [2,0,0,0,0,0|1,0,1]=4 66 B7R0.6 CC(C)CCC(=O)O HY-W015882 [2,0,0,0,0,0|0,0,0]=2 67 B7R0.6 CC(C)CCC(=O)O HY-W015882R [2,0,0,0,0,0|0,0,0]=2 68 B9R0.8 COC(=O)[C@@H](N)CCSC HY-W014916 [1,1,0,0,0,0|1,0,0]=3 69 B9R0.8 COC(=O)[C@H](N)CCSC HY-W014917 [1,1,0,0,0,0|1,0,0]=3 70 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC HY-W016423 [1,1,0,0,0,0|1,0,0]=3 71 B9R0.35 CCCC(C)C(=O)OCC HY-W015667 [1,1,0,0,0,0|1,0,0]=3 72 B9R0.35 CCC[C@H](N)C(=O)OCC HY-75949 [1,1,0,0,0,0|1,0,0]=3 73 B9R0.24 COC(=O)CCC(=O)CN HY-A0169A [1,1,0,0,0,0|1,0,1]=4 74 B9R0.24 COC(=O)CCC(=O)OC HY-Y0808 [1,1,0,0,0,0|1,0,1]=4 75 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O HY-79415 [1,1,0,0,0,0|1,0,0]=3 76 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O HY-N6858 [1,1,0,0,0,0|2,0,0]=4 77 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O HY-W010271 [1,1,0,0,0,0|2,0,0]=4 78 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C HY-79271 [0,1,0,0,1,0|2,0,0]=4 79 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C HY-I0172 [0,1,0,0,1,0|1,0,0]=3 80 B11R0.110 COC(=O)CC(O)CC(=O)OC HY-W008294 [0,1,0,0,0,1|1,0,1]=4 81 B11R0.186 CCOC(=O)[C@@H](N)CC(C)(C)F HY-77026 [0,2,0,0,0,0|1,0,0]=3 82 B9R1.5 N[C@H]1CCCCNC1=O HY-W015366 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.11 COC(=O)[C@@H]1CCCN1 HY-76134 [1,0,0,1,0,0|1,0,0]=3 84 B9R1.101 COC(=O)C(N)C1CC1 HY-W005014 [1,0,0,1,0,0|1,0,0]=3 85 B9R1.10 CC1(C)CCC(=O)CC1 HY-W002564 [1,0,0,1,0,0|1,0,0]=3 86 B9R1.10 CC1(O)CCC(=O)CC1 HY-W036733 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.35 CC(C)[C@@H]1COC(=O)N1 HY-W002320 [1,0,0,1,0,0|1,0,0]=3 88 B9R1.35 CC(C)[C@H]1COC(=O)N1 HY-W002062 [1,0,0,1,0,0|1,0,0]=3 89 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [1,0,0,1,0,0|1,0,0]=3 90 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [1,0,0,0,1,0|0,0,2]=4 91 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [1,0,0,0,1,0|1,0,0]=3 92 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [1,0,0,0,1,0|0,0,0]=2 93 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [1,0,0,0,1,0|1,0,0]=3 94 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [1,0,0,0,1,0|1,0,0]=3 95 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [1,0,0,0,1,0|1,0,0]=3 96 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [1,0,0,0,1,0|2,0,0]=4 97 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [1,0,0,0,1,0|2,0,0]=4 98 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [1,0,0,0,1,0|2,0,0]=4 99 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [1,0,0,0,1,0|2,0,0]=4 100 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [1,0,0,0,1,0|2,0,0]=4 101 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [1,0,0,0,1,0|2,0,0]=4 102 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [1,0,0,0,1,0|2,0,0]=4 103 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [1,0,0,0,1,0|2,0,0]=4