0 B7R0.2 NC[C@@H](F)C[PH](=O)O HY-10061B [0,0,0,0,0,0|3,0,0]=3 1 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.2 O=C([O-])C[C@H](O)CO HY-113304A [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(=O)CC(=O)O HY-112540 [1,0,0,0,0,0|1,0,1]=3 5 B6R0.2 CC(C)=CC(=O)O HY-W010611 [1,0,0,0,0,0|0,0,2]=3 6 B6R0.2 CC(C)CC(=O)O HY-W012980R [1,0,0,0,0,0|0,0,0]=1 7 B6R0.4 C#CCCC(=O)O HY-Y1230 [1,0,0,0,0,0|0,0,2]=3 8 B6R0.4 O=C(O)\C=C\CO HY-100982 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.2 CCC(C)C(N)C(=O)O HY-W1005647 [0,1,0,0,0,0|0,0,0]=1 10 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O HY-I1070 [0,1,0,0,0,0|0,0,0]=1 11 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HY-I1060 [0,1,0,0,0,0|0,0,0]=1 12 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771R [0,1,0,0,0,0|0,0,0]=1 13 B8R0.23 CC(C)C(N)CC(=O)O HY-W012708 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.23 N[C@@H](C[13C](=O)O)[13C](=O)O HY-N0666S6 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.23 N[C@H](CC(=O)O)C(=O)O HY-42068 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069R [0,1,0,0,0,0|2,0,1]=4 18 B8R0.23 O=[13C](O)[13CH2][13C@H](O)[13C](=O)O HY-Y1069S3 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.23 [13CH2]([13C](=O)O)[13C@H](N)[13C](=O)O HY-N0666S4 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O HY-N0666S3 [0,1,0,0,0,0|2,0,1]=4 21 B8R1.4 CC1CCN=C(N)S1 HY-101251 [0,0,0,1,0,0|3,0,0]=4 22 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [0,0,0,0,1,0|0,0,2]=3 23 B6R0.3 CCC(=O)C(C)=O HY-W012998R [0,0,0,0,1,0|2,0,1]=4 24 B6R0.3 CCC(Br)C(=O)O HY-W015333 [0,0,0,0,1,0|1,0,0]=2 25 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [0,0,0,0,1,0|1,0,0]=2 26 B6R0.3 CNC(C)C(=O)O HY-W010591 [0,0,0,0,1,0|1,0,0]=2 27 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [0,0,0,0,1,0|2,0,0]=3 28 B6R0.3 O=C(O)C(=O)CO HY-113013 [0,0,0,0,1,0|2,0,1]=4 29 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [0,0,0,0,1,0|2,0,0]=3 30 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [0,0,0,0,1,0|2,0,0]=3 31 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [0,0,0,0,1,0|2,0,0]=3 32 B8R0.9 C=CC(N)CCC(=O)O HY-15399 [0,0,0,0,0,1|1,0,2]=4 33 B8R0.9 NCC(=O)CCC(=O)O HY-W000450 [0,0,0,0,0,1|2,0,1]=4 34 B8R0.9 NCC(=O)NCC(=O)O HY-D0889 [0,0,0,0,0,1|2,0,1]=4 35 B5R0.1 CNCC(=O)O HY-W012791 [2,0,0,0,0,0|1,0,0]=3 36 B5R0.1 NOCC(=O)O HY-107994A [2,0,0,0,0,0|2,0,0]=4 37 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.2 C=CCCCO HY-W010639 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.3 CCC(O)CC HY-W087988 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.3 CC[C@H](C)CO HY-W093104 [2,0,0,0,0,0|0,0,0]=2 41 B5R0.3 OCC(Cl)CO HY-W585827 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.3 OCC(O)CS HY-W010572 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.3 OC[13CH](O)CO HY-B1659S2 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.3 O[13CH2]C(O)[13CH2]O HY-B1659S4 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.3 O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.10 O=C[C@H](O)[C@H](O)[13CH2]O HY-116956S3 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.9 CC(C)(O)CC(=O)O HY-113409 [1,1,0,0,0,0|0,0,0]=2 48 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-B0710R [1,1,0,0,0,0|1,0,1]=4 49 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [1,1,0,0,0,0|0,0,1]=3 50 B7R0.16 CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [1,1,0,0,0,0|0,0,0]=2 51 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [1,1,0,0,0,0|0,0,0]=2 52 B7R0.16 [13CH3][13C@@H](O)[13C@H](N)[13C](=O)O HY-N0658S6 [1,1,0,0,0,0|1,0,0]=3 53 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](=O)O HY-N0658S3 [1,1,0,0,0,0|1,0,0]=3 54 B7R0.16 [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [1,1,0,0,0,0|0,0,0]=2 55 B7R0.4 NCCNCC(=O)O HY-W012883 [1,1,0,0,0,0|1,0,0]=3 56 B7R0.4 O=C(O)COCCO HY-W591338A [1,1,0,0,0,0|1,0,0]=3 57 B7R0.4 O=C(O)COCCO HY-W591338B [1,1,0,0,0,0|1,0,0]=3 58 B7R0.4 O=C(O)COCCS HY-140728 [1,1,0,0,0,0|1,0,0]=3 59 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [1,1,0,0,0,0|1,0,0]=3 60 B7R0.6 O=[13C](O)[13CH2][13CH2][13C](=O)O HY-N0420S2 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.7 C[C@H](N)C(=O)NCC(=O)O HY-W010277 [0,1,0,0,0,1|1,0,1]=4 62 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO HY-121305A [0,2,0,0,0,0|2,0,0]=4 63 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO HY-121305B [0,2,0,0,0,0|2,0,0]=4 64 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO HY-113317 [0,2,0,0,0,0|2,0,0]=4 65 B9R0.27 [C@@H](O)(C(=O)CO)[C@H](O)CO HY-W010256 [0,2,0,0,0,0|2,0,0]=4 66 B9R0.14 CCC[C@@H](CBr)CC(=O)O HY-Z6843 [0,2,0,0,0,0|0,0,0]=2 67 B9R0.34 CCCC(=O)CC(=O)OC HY-W005176 [0,2,0,0,0,0|1,0,1]=4 68 B9R0.53 NC(CC(=O)O)CC(=O)O HY-W107585 [0,2,0,0,0,0|1,0,1]=4 69 B9R0.53 O=C(O)CC(O)CC(=O)O HY-113411 [0,2,0,0,0,0|1,0,1]=4 70 B7R1.19 NC1(C(=O)O)CC1 HY-30004 [0,0,0,1,1,0|1,0,0]=3 71 B7R1.19 NC1(C(=O)O)CC1 HY-30004R [0,0,0,1,1,0|1,0,0]=3 72 B5R0.5 CC(N)[13C](=O)O HY-N2362S [1,0,0,0,1,0|1,0,0]=3 73 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [1,0,0,0,1,0|1,0,0]=3 74 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [1,0,0,0,1,0|1,0,0]=3 75 B5R0.5 C[C@H](N)C(N)=O HY-75326 [1,0,0,0,1,0|2,0,0]=4 76 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [1,0,0,0,1,0|1,0,0]=3 77 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [1,0,0,0,1,0|1,0,0]=3 78 B5R0.5 O=C(O)C(I)I HY-133659 [1,0,0,0,1,0|2,0,0]=4 79 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [1,0,0,0,1,0|1,0,0]=3 80 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [1,0,0,0,1,0|1,0,0]=3 81 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [1,0,0,0,1,0|1,0,0]=3 82 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [1,0,0,0,1,0|1,0,0]=3 83 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [1,0,0,0,1,0|1,0,0]=3 84 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [1,0,0,0,1,0|1,0,0]=3