0 B7R0.16 CC(C(=O)O)C(=O)O HY-103395R [0,0,0,0,0,0|3,0,1]=4 1 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [0,0,0,0,0,0|1,0,1]=2 2 B7R0.16 CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [0,0,0,0,0,0|0,0,0]=0 4 B7R0.16 [13CH3][13C@@H](O)[13C@H](N)[13C](=O)O HY-N0658S6 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](=O)O HY-N0658S3 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.16 [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [0,0,0,0,0,0|0,0,0]=0 7 B6R0.2 CC(=O)CC(=O)O HY-112540 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.2 CC(C)=CC(=O)O HY-W010611 [1,0,0,0,0,0|0,0,2]=3 9 B6R0.2 CC(C)CC(=O)O HY-W012980R [1,0,0,0,0,0|0,0,0]=1 10 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [1,0,0,0,0,0|0,0,1]=2 12 B6R0.3 CCC(=O)C(C)=O HY-W012998R [1,0,0,0,0,0|2,0,1]=4 13 B6R0.3 CCC(Br)C(=O)O HY-W015333 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [1,0,0,0,0,0|1,0,0]=2 15 B6R0.3 CNC(C)C(=O)O HY-W010591 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.3 O=C(O)C(=O)CO HY-113013 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.2 CCC(C)C(N)C(=O)O HY-W1005647 [0,1,0,0,0,0|0,0,0]=1 22 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O HY-I1070 [0,1,0,0,0,0|0,0,0]=1 23 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HY-I1060 [0,1,0,0,0,0|0,0,0]=1 24 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771R [0,1,0,0,0,0|0,0,0]=1 25 B8R0.2 [13CH3][13CH]([13CH3])[13C](=O)[13C](=O)O[Na] HY-W006057AS16 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.18 CN[C@H](C(=O)O)C(C)C HY-20561 [0,1,0,0,0,0|0,0,0]=1 27 B8R0.27 CC(C)(S)C(N)C(=O)O HY-W017457 [0,1,0,0,0,0|0,0,0]=1 28 B8R0.27 NC(C(=O)O)C(F)(F)F HY-W017551 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.27 [2H]C([2H])(S)[C@H](N)C(=O)O HY-Y0337S6 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.27 [2H]C([2H])([2H])C(N)C(=O)O HY-N2362S2 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.37 CC(C)[C@@](C)(N)C(=O)O HY-W010386 [0,1,0,0,0,0|0,0,0]=1 32 B8R1.54 N[C@H](C(=O)O)C1CC1 HY-W005759 [0,0,0,1,0,0|0,0,0]=1 33 B8R0.23 CC(=O)N[C@H](C)C(=O)O HY-W012713 [0,0,0,0,0,1|2,0,1]=4 34 B8R0.23 CC(C)C(N)CC(=O)O HY-W012708 [0,0,0,0,0,1|0,0,0]=1 35 B8R0.23 CC(C)C[C@@H](N)C(N)=O HY-W111211 [0,0,0,0,0,1|1,0,0]=2 36 B8R0.23 CC(C)C[C@@H](O)C(=O)O HY-30216 [0,0,0,0,0,1|1,0,0]=2 37 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O HY-N0486S3 [0,0,0,0,0,1|0,0,0]=1 38 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378R [0,0,0,0,0,1|2,0,1]=4 39 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W017444 [0,0,0,0,0,1|2,0,1]=4 40 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667 [0,0,0,0,0,1|2,0,1]=4 41 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666 [0,0,0,0,0,1|2,0,1]=4 42 B8R0.23 N[C@@H](CC([15NH2])=O)C(=O)O HY-W017443S1 [0,0,0,0,0,1|2,0,1]=4 43 B8R0.23 N[C@@H](C[13C](=O)O)[13C](=O)O HY-N0666S6 [0,0,0,0,0,1|2,0,1]=4 44 B8R0.23 N[C@H](CC(=O)O)C(=O)O HY-42068 [0,0,0,0,0,1|2,0,1]=4 45 B8R0.23 [13CH2]([13C](=O)O)[13C@H](N)[13C](=O)O HY-N0666S4 [0,0,0,0,0,1|2,0,1]=4 46 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H](N)[13C](=O)O HY-N0486S2 [0,0,0,0,0,1|0,0,0]=1 47 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O HY-N0666S3 [0,0,0,0,0,1|2,0,1]=4 48 B5R0.1 CNCC(=O)O HY-W012791 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.1 NOCC(=O)O HY-107994A [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.3 CC[C@H](C)CO HY-W093104 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.5 CC(N)[13C](=O)O HY-N2362S [2,0,0,0,0,0|0,0,0]=2 53 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [2,0,0,0,0,0|0,0,0]=2 54 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [2,0,0,0,0,0|0,0,0]=2 55 B5R0.5 C[C@H](N)C(N)=O HY-75326 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [2,0,0,0,0,0|0,0,0]=2 57 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [2,0,0,0,0,0|0,0,0]=2 58 B5R0.5 O=C(O)C(I)I HY-133659 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [2,0,0,0,0,0|0,0,0]=2 60 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [2,0,0,0,0,0|0,0,0]=2 61 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [2,0,0,0,0,0|0,0,0]=2 62 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [2,0,0,0,0,0|1,0,0]=3 63 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [2,0,0,0,0,0|0,0,0]=2 64 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [2,0,0,0,0,0|0,0,0]=2 65 B7R0.2 CC(C)C[C@H](N)CO HY-W015876 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.2 NC[C@@H](F)C[PH](=O)O HY-10061B [1,1,0,0,0,0|2,0,0]=4 67 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [1,1,0,0,0,0|1,0,0]=3 69 B7R0.2 O=C([O-])C[C@H](O)CO HY-113304A [1,1,0,0,0,0|1,0,1]=4 70 B7R0.9 CC(C)(O)CC(=O)O HY-113409 [1,1,0,0,0,0|0,0,0]=2 71 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-B0710R [1,1,0,0,0,0|1,0,1]=4 72 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [1,1,0,0,0,0|0,0,1]=3 73 B7R0.5 COCC(N)C(=O)O HY-W012871 [1,1,0,0,0,0|0,0,0]=2 74 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [1,1,0,0,0,0|0,0,0]=2 75 B7R0.10 COC(=O)C(N)CCl HY-W098273 [1,1,0,0,0,0|1,0,0]=3 76 B7R0.10 O=C(O[Na])[C@H](O)CO HY-139070A [1,1,0,0,0,0|2,0,0]=4 77 B7R0.10 O=C[C@H](O)[C@H](O)[13CH2]O HY-116956S3 [1,1,0,0,0,0|2,0,0]=4 78 B9R0.23 CC(C)CC(=O)[13C](=O)O[Na] HY-W012722BS1 [0,1,0,0,0,1|1,0,1]=4 79 B9R0.23 CC(C)C[13C](=O)[13C](=O)O[Na] HY-W017387S1 [0,1,0,0,0,1|1,0,1]=4 80 B9R0.23 [13CH3][13CH]([13CH3])[13CH2][13C](=O)[13C](=O)O[Na] HY-W017387S2 [0,1,0,0,0,1|1,0,1]=4 81 B9R0.39 CN[C@@H](CC(C)C)C(=O)O HY-W128028 [0,1,0,0,0,1|0,0,0]=2 82 B9R0.39 [C@@H](CC(C)C)(NC)C(=O)O HY-W008140 [0,1,0,0,0,1|0,0,0]=2 83 B9R0.79 CC(C)N(O)C(=O)C(=O)O HY-153351 [0,1,0,0,0,1|1,0,1]=4 84 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO HY-121305A [0,2,0,0,0,0|2,0,0]=4 85 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO HY-121305B [0,2,0,0,0,0|2,0,0]=4 86 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO HY-113317 [0,2,0,0,0,0|2,0,0]=4 87 B9R0.27 [C@@H](O)(C(=O)CO)[C@H](O)CO HY-W010256 [0,2,0,0,0,0|2,0,0]=4 88 B9R0.33 CC(C)[C@H](N=[N+]=[N-])C(=O)O HY-151661 [0,2,0,0,0,0|0,0,1]=3 89 B9R0.80 [2H]C([2H])(O)C([2H])(N)C(=O)O HY-Y0507S [0,2,0,0,0,0|2,0,0]=4 90 B9R0.80 [2H]C([2H])(O)[C@@]([2H])(N)C(=O)O HY-100808S [0,2,0,0,0,0|2,0,0]=4 91 B9R0.80 [2H]C([2H])(O)[C@]([2H])(N)C(=O)O HY-N0650S8 [0,2,0,0,0,0|2,0,0]=4 92 B9R0.80 [2H]C([2H])(S)[C@]([2H])(N)C(=O)O HY-Y0337S5 [0,2,0,0,0,0|2,0,0]=4 93 B9R0.80 [2H]C([2H])([2H])[C@@]([2H])(N)C(=O)O HY-41700S1 [0,2,0,0,0,0|2,0,0]=4 94 B9R0.80 [2H][13C]([2H])(O)[13C@]([2H])([15NH2])[13C](=O)O HY-N0650S3 [0,2,0,0,0,0|2,0,0]=4 95 B9R0.80 [2H][C@@](N)(C(=O)O)[C@@]([2H])(C)O HY-N0658S5 [0,2,0,0,0,0|1,0,0]=3 96 B7R1.4 NN1CCOC1=O HY-W012982 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.19 NC1(C(=O)O)CC1 HY-30004 [1,0,0,1,0,0|0,0,0]=2 98 B7R1.19 NC1(C(=O)O)CC1 HY-30004R [1,0,0,1,0,0|0,0,0]=2 99 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [1,0,0,0,0,1|1,0,0]=3 100 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770A [0,0,0,0,0,2|2,0,0]=4