0 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770A [0,0,0,0,0,0|2,0,0]=2 1 B9R0.7 NC(=O)CC[13C@H](N)[13C](=O)O HY-N0390S10 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.7 NC(=O)CC[C@H](N)[13C](=O)O HY-N0390S5 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.7 NC(=O)NCC(N)C(=O)O HY-N12109 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0390S1 [0,0,0,0,0,0|0,0,0]=0 5 B9R0.7 N[C@@H](CCC([15NH2])=O)C(=O)O HY-N0390S9 [0,0,0,0,0,0|0,0,0]=0 6 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-131514 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.7 O=C(O)CCC(O)C(=O)O HY-113038B [0,0,0,0,0,0|2,0,0]=2 8 B9R0.7 O=C(O)CC[C@H](O)C(=O)O HY-113039 [0,0,0,0,0,0|2,0,0]=2 9 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S8 [0,0,0,0,0,0|0,0,0]=0 10 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S3 [0,0,0,0,0,0|1,0,0]=1 11 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](=O)O HY-N0390S6 [0,0,0,0,0,0|0,0,0]=0 12 B8R0.8 C#CCCC(N)C(=O)O HY-W259668 [1,0,0,0,0,0|1,0,1]=3 13 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345A [1,0,0,0,0,0|1,0,1]=3 14 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017R [1,0,0,0,0,0|1,0,1]=3 15 B8R0.8 NOCC[C@H](N)C(=O)O HY-129476 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.8 N[13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-W017018S2 [1,0,0,0,0,0|0,0,1]=2 17 B8R0.8 [13CH3]SCC[C@H](N)C(=O)O HY-N0326S3 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.8 [13CH3]S[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0326S5 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.9 C=CC(N)CCC(=O)O HY-15399 [1,0,0,0,0,0|2,0,0]=3 20 B10R0.82 CC(=O)C(C)CCC(=O)O[Na] HY-W193545A [0,1,0,0,0,0|3,0,0]=4 21 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O HY-B1692 [0,1,0,0,0,0|1,0,1]=3 22 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O HY-101310 [0,1,0,0,0,0|1,0,0]=2 23 B10R0.93 O=C(O)C(=O)CC(O)C(=O)O HY-147064 [0,1,0,0,0,0|2,0,1]=4 24 B10R0.93 [C@H](N)(C[C@@H](O)C(=O)O)C(=O)O HY-W012537 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.23 CC(=O)N[C@H](C)C(=O)O HY-W012713 [0,0,0,0,1,0|3,0,0]=4 26 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O HY-N0486S3 [0,0,0,0,1,0|2,0,1]=4 27 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378R [0,0,0,0,1,0|0,0,0]=1 28 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W017444 [0,0,0,0,1,0|0,0,0]=1 29 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667 [0,0,0,0,1,0|0,0,0]=1 30 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666 [0,0,0,0,1,0|1,0,0]=2 31 B8R0.23 N[C@@H](CC([15NH2])=O)C(=O)O HY-W017443S1 [0,0,0,0,1,0|0,0,0]=1 32 B8R0.23 N[C@@H](C[13C](=O)O)[13C](=O)O HY-N0666S6 [0,0,0,0,1,0|1,0,0]=2 33 B8R0.23 N[C@H](CC(=O)O)C(=O)O HY-42068 [0,0,0,0,1,0|1,0,0]=2 34 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069R [0,0,0,0,1,0|2,0,0]=3 35 B8R0.23 O=[13C](O)[13CH2][13C@H](O)[13C](=O)O HY-Y1069S3 [0,0,0,0,1,0|2,0,0]=3 36 B8R0.23 [13CH2]([13C](=O)O)[13C@H](N)[13C](=O)O HY-N0666S4 [0,0,0,0,1,0|1,0,0]=2 37 B8R0.23 [13CH2]=[13C]([13CH2][13C](=O)O)[13C](=O)O HY-Y0520S [0,0,0,0,1,0|2,0,1]=4 38 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H](N)[13C](=O)O HY-N0486S2 [0,0,0,0,1,0|2,0,1]=4 39 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O HY-N0666S3 [0,0,0,0,1,0|1,0,0]=2 40 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O HY-W009841 [0,0,0,0,0,1|1,0,0]=2 41 B10R0.96 O=C(O)CCC(=O)CC(=O)O HY-W718418 [0,0,0,0,0,1|2,0,1]=4 42 B10R0.98 O=C(O)CCCC(O)C(=O)O HY-113101 [0,0,0,0,0,1|2,0,0]=3 43 B7R0.4 NCCNCC(=O)O HY-W012883 [2,0,0,0,0,0|1,0,1]=4 44 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [2,0,0,0,0,0|0,0,1]=3 45 B7R0.5 COCC(N)C(=O)O HY-W012871 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [2,0,0,0,0,0|0,1,0]=3 47 B9R0.47 CCSCCC(N)C(=O)O HY-W017202 [1,1,0,0,0,0|1,0,1]=4 48 B9R0.47 CCSCC[C@H](N)C(=O)O HY-W017200 [1,1,0,0,0,0|1,0,1]=4 49 B9R0.47 CC[Se]CCC(N)C(=O)O HY-W585825 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.47 CNCCC[C@H](N)C(C)=O HY-126436A [1,1,0,0,0,0|1,0,1]=4 51 B9R0.47 NCCCC[C@@H](N)C(=O)O HY-Y1804 [1,1,0,0,0,0|0,0,1]=3 52 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0469R [1,1,0,0,0,0|0,0,1]=3 53 B9R0.47 NCCCC[C@H](N)[13C](=O)O HY-N0470S2 [1,1,0,0,0,0|0,0,1]=3 54 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O HY-W009762S7 [1,1,0,0,0,0|0,0,1]=3 55 B9R0.47 [15NH2]CCCC[C@H]([15NH2])C(=O)O HY-N0470S [1,1,0,0,0,0|0,0,1]=3 56 B9R0.47 [C@H](N)(CCCCN)C(=O)O HY-W014606 [1,1,0,0,0,0|0,0,1]=3 57 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O HY-151723 [1,1,0,0,0,0|1,0,1]=4 58 B9R0.53 NC(CC(=O)O)CC(=O)O HY-W107585 [1,1,0,0,0,0|1,0,0]=3 59 B9R0.53 O=C(O)CC(O)CC(=O)O HY-113411 [1,1,0,0,0,0|1,0,0]=3 60 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O HY-124009 [0,1,0,0,1,0|2,0,0]=4 61 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O HY-100801A [0,1,0,0,1,0|1,0,0]=3 62 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O HY-14829E [0,1,0,0,1,0|2,0,0]=4 63 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O HY-112885A [0,1,0,0,0,1|1,0,0]=3 64 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O HY-112885C [0,1,0,0,0,1|1,0,0]=3 65 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O HY-N1477 [0,1,0,0,0,1|1,0,1]=4 66 B11R0.120 COC(=O)CCC(N)C(=O)OC HY-W098059 [0,2,0,0,0,0|1,0,0]=3 67 B11R0.120 O=C(CC[C@H](O)C(=O)O[Na])O[Na] HY-W015114R [0,2,0,0,0,0|2,0,0]=4 68 B11R0.90 CNC(CCC(=O)O[Na])C(C)=O HY-W596474C [0,2,0,0,0,0|2,0,0]=4 69 B11R0.141 [N-]=[N+]=CC(=O)CC[C@H](N)C(=O)O HY-108357 [0,2,0,0,0,0|0,0,1]=3 70 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669 [1,0,0,1,0,0|1,0,1]=4 71 B9R1.69 NC1CCC(=O)NC1=O HY-34590 [1,0,0,1,0,0|1,0,0]=3 72 B9R1.163 C[C@@]1(C(=O)O)CCCN1 HY-76962 [1,0,0,1,0,0|1,0,1]=4 73 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [1,0,0,0,1,0|1,0,1]=4 74 B7R0.16 CC(C(=O)O)C(=O)O HY-103395R [0,0,0,0,2,0|2,0,0]=4 75 B9R0.55 O=[13C](O)[13CH2][13CH2][13CH2][13CH2][13C](=O)O HY-W017522S1 [1,0,0,0,0,1|1,0,0]=3 76 B11R0.29 CC(C)=CCSC[C@H](N)C(=O)O HY-121553 [0,0,0,0,0,2|2,0,0]=4 77 B11R0.29 N=C(N)NCCC[13C@H](N)[13C](=O)O HY-N0455AS5 [0,0,0,0,0,2|1,0,0]=3 78 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O HY-N0455D [0,0,0,0,0,2|1,0,0]=3 79 B11R0.29 N=[13C](N)N[13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0455AS6 [0,0,0,0,0,2|1,0,0]=3 80 B11R0.29 N=[13C](N)N[13CH2][13CH2][13CH2][13CH](N)[13C](=O)O HY-W014375S2 [0,0,0,0,0,2|1,0,0]=3 81 B11R0.29 N[C@@H](CCCN[13C](N)=O)C(=O)O HY-N0391S3 [0,0,0,0,0,2|0,0,0]=2 82 B11R0.29 [15NH]=[13C]([15NH2])[15NH][13CH2][13CH2][13CH2][13C@H]([15NH2])[13C](=O)O HY-N0455AS8 [0,0,0,0,0,2|1,0,0]=3 83 B11R0.29 [15NH]=[13C]([15NH2])[15NH][13CH2][13CH2][13CH2][13CH]([15NH2])[13C](=O)O HY-W014375S4 [0,0,0,0,0,2|1,0,0]=3 84 B11R0.29 [C@@H](N)(CCCNC(=N)O)C(=O)O HY-W016733 [0,0,0,0,0,2|0,0,2]=4