0 B8R0.2 CCC(C)C(N)C(=O)O HY-W1005647 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O HY-I1070 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HY-I1060 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771R [0,0,0,0,0,0|0,0,0]=0 4 B7R0.2 NC[C@@H](F)C[PH](=O)O HY-10061B [1,0,0,0,0,0|3,0,0]=4 5 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.2 O=C([O-])C[C@H](O)CO HY-113304A [1,0,0,0,0,0|2,0,1]=4 8 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [1,0,0,0,0,0|0,0,2]=3 9 B7R0.5 COCC(N)C(=O)O HY-W012871 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.10 O=C[C@H](O)[C@H](O)[13CH2]O HY-116956S3 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [1,0,0,0,0,0|1,0,1]=3 13 B7R0.16 CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [1,0,0,0,0,0|0,0,0]=1 14 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [1,0,0,0,0,0|0,0,0]=1 15 B7R0.16 [13CH3][13C@@H](O)[13C@H](N)[13C](=O)O HY-N0658S6 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](=O)O HY-N0658S3 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.16 [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [1,0,0,0,0,0|0,0,0]=1 18 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO HY-121305A [0,1,0,0,0,0|3,0,0]=4 19 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO HY-121305B [0,1,0,0,0,0|3,0,0]=4 20 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO HY-113317 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.27 [C@@H](O)(C(=O)CO)[C@H](O)CO HY-W010256 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O HY-100801A [0,1,0,0,0,0|2,0,1]=4 23 B6R0.2 CC(=O)CC(=O)O HY-112540 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.2 CC(C)=CC(=O)O HY-W010611 [2,0,0,0,0,0|0,0,2]=4 25 B6R0.2 CC(C)CC(=O)O HY-W012980R [2,0,0,0,0,0|0,0,0]=2 26 B6R0.4 C#CCCC(=O)O HY-Y1230 [2,0,0,0,0,0|0,0,2]=4 27 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [2,0,0,0,0,0|0,0,1]=3 28 B6R0.3 CCC(Br)C(=O)O HY-W015333 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [2,0,0,0,0,0|1,0,0]=3 30 B6R0.3 CNC(C)C(=O)O HY-W010591 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [2,0,0,0,0,0|1,0,0]=3 32 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [2,0,0,0,0,0|1,0,0]=3 34 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [2,0,0,0,0,0|1,0,0]=3 35 B8R0.23 CC(C)C(N)CC(=O)O HY-W012708 [1,1,0,0,0,0|1,0,0]=3 36 B8R0.8 C#CCCC(N)C(=O)O HY-W259668 [1,1,0,0,0,0|0,0,1]=3 37 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345A [1,1,0,0,0,0|0,0,1]=3 38 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017R [1,1,0,0,0,0|0,0,0]=2 39 B8R0.8 NOCC[C@H](N)C(=O)O HY-129476 [1,1,0,0,0,0|1,0,0]=3 40 B8R0.8 N[13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-W017018S2 [1,1,0,0,0,0|0,0,0]=2 41 B8R0.8 [13CH3]SCC[C@H](N)C(=O)O HY-N0326S3 [1,1,0,0,0,0|0,0,0]=2 42 B8R0.8 [13CH3]S[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0326S5 [1,1,0,0,0,0|0,0,0]=2 43 B8R0.12 [2H]C([2H])(CCN)C(=O)O HY-N0067S1 [1,1,0,0,0,0|2,0,0]=4 44 B8R0.18 CN[C@H](C(=O)O)C(C)C HY-20561 [1,1,0,0,0,0|0,0,0]=2 45 B8R0.27 CC(C)(S)C(N)C(=O)O HY-W017457 [1,1,0,0,0,0|0,0,0]=2 46 B8R0.27 NC(C(=O)O)C(F)(F)F HY-W017551 [1,1,0,0,0,0|2,0,0]=4 47 B8R0.27 [2H]C([2H])(S)[C@H](N)C(=O)O HY-Y0337S6 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.27 [2H]C([2H])([2H])C(N)C(=O)O HY-N2362S2 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.37 CC(C)[C@@](C)(N)C(=O)O HY-W010386 [1,1,0,0,0,0|0,0,0]=2 50 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O HY-101310 [0,1,0,0,0,1|1,0,1]=4 51 B10R0.39 CC(C)(CO)[C@@H](O)C(=O)O[Na] HY-W579377 [0,2,0,0,0,0|2,0,0]=4 52 B8R1.7 O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [1,0,0,1,0,0|0,0,0]=2 53 B8R1.7 O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [1,0,0,1,0,0|0,0,0]=2 54 B8R1.54 N[C@H](C(=O)O)C1CC1 HY-W005759 [1,0,0,1,0,0|0,0,0]=2 55 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 HY-33259 [0,1,0,1,0,0|0,0,0]=2 56 B10R1.23 [C@@H](N)(C(=O)O)C1CCCC1 HY-W008530 [0,1,0,1,0,0|0,0,0]=2 57 B10R1.34 O=C1O[C@H](CO)[C@@H](O)[C@H]1O HY-76691 [0,1,0,1,0,0|2,0,0]=4