0 B5R0.5 CC(N)[13C](=O)O HY-N2362S [0,0,0,0,0,0|1,0,0]=1 1 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.5 C[C@H](N)C(N)=O HY-75326 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.5 O=C(O)C(I)I HY-133659 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.5 O=C([O-])C(=O)[O-] HY-W140731 [0,0,0,0,0,0|1,0,3]=4 8 B5R0.5 O=[13C](O)[13C](=O)O HY-Y0262S1 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [0,0,0,0,0,0|1,0,0]=1 10 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [0,0,0,0,0,0|0,0,0]=0 13 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [0,0,0,0,0,0|1,0,0]=1 15 B4R0.1 C=CC(=O)O HY-W243303B [1,0,0,0,0,0|0,0,2]=3 16 B4R0.1 C=CC(=O)O HY-W243303M [1,0,0,0,0,0|0,0,2]=3 17 B4R0.1 C=CC(N)=O HY-W115727E [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 CC(=O)CN HY-W004850 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 CCB(O)O HY-W000933 [1,0,0,0,0,0|1,0,1]=3 20 B4R0.1 CSC(=N)N HY-79457 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 C[C@H](N)CO HY-Y0837 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 C[C@H](O)CO HY-79334 [1,0,0,0,0,0|0,0,1]=2 23 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [1,0,0,0,0,0|0,0,0]=1 24 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [1,0,0,0,0,0|1,0,0]=2 26 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [1,0,0,0,0,0|1,0,0]=2 27 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [0,1,0,0,0,0|1,0,1]=3 29 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913 [0,1,0,0,0,0|0,0,2]=3 30 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913R [0,1,0,0,0,0|0,0,2]=3 31 B6R0.3 CC(=O)[13C](=O)O[Na] HY-Y0781S3 [0,1,0,0,0,0|0,0,2]=3 32 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.3 CCC(=O)C(C)=O HY-W012998R [0,1,0,0,0,0|1,0,2]=4 34 B6R0.3 CCC(Br)C(=O)O HY-W015333 [0,1,0,0,0,0|1,0,0]=2 35 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [0,1,0,0,0,0|0,0,0]=1 36 B6R0.3 CN(N=O)C(N)=O HY-34758 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.3 CNC(C)C(=O)O HY-W010591 [0,1,0,0,0,0|1,0,0]=2 38 B6R0.3 C[13C](=O)C(=O)O[Na] HY-Y0781S [0,1,0,0,0,0|0,0,2]=3 39 B6R0.3 C[C@H](O)[13C](=O)O[Na] HY-Y0479AS2 [0,1,0,0,0,0|0,0,0]=1 40 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.3 O=C(O)C(=O)CO HY-113013 [0,1,0,0,0,0|0,0,2]=3 42 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [0,1,0,0,0,0|1,0,0]=2 43 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [0,1,0,0,0,0|1,0,0]=2 44 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.7 CC(C)(Br)C(=O)Br HY-Y0238 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.7 O=C(O)C(F)(F)F HY-P0312 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.7 [2H]C([2H])(N)C(=O)O HY-Y0966S1 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.7 [2H][C@@](C)(N)C(=O)O HY-W141857 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.2 CC(=O)CC(=O)O HY-112540 [0,0,0,0,0,1|0,0,2]=3 50 B6R0.2 CC(C)=CC(=O)O HY-W010611 [0,0,0,0,0,1|1,0,1]=3 51 B6R0.2 CC(C)CC(=O)O HY-W012980R [0,0,0,0,0,1|1,0,0]=2 52 B3R0.1 N[13CH2][13CH2]O HY-W035903S [2,0,0,0,0,0|1,0,1]=4 53 B3R0.1 O=CO[Na] HY-W088065 [2,0,0,0,0,0|2,0,0]=4 54 B3R0.1 O=[13CH]O[Na] HY-W088065S [2,0,0,0,0,0|2,0,0]=4 55 B3R0.1 OCCO HY-Y0873 [2,0,0,0,0,0|0,0,1]=3 56 B3R0.1 OCCO HY-Y0873A3 [2,0,0,0,0,0|0,0,1]=3 57 B3R0.1 [13CH](=O)[13CH2]O HY-W779008 [2,0,0,0,0,0|0,0,0]=2 58 B3R0.2 CC(=O)O HY-P0119A [2,0,0,0,0,0|0,0,0]=2 59 B3R0.2 CC([15NH2])=O HY-Y0946S [2,0,0,0,0,0|1,0,0]=3 60 B3R0.2 CS(C)=O HY-Y0320 [2,0,0,0,0,0|2,0,0]=4 61 B3R0.2 CS(C)=O HY-Y0320C [2,0,0,0,0,0|2,0,0]=4 62 B3R0.2 CS(C)=O HY-Y0320D [2,0,0,0,0,0|2,0,0]=4 63 B3R0.2 O=[Si](O)O HY-B0314 [2,0,0,0,0,0|0,1,0]=3 64 B3R0.2 O[AlH3](O)O HY-W116335A [2,0,0,0,0,0|1,0,1]=4 65 B3R0.2 [2H][13C](=O)O HY-W088065S1 [2,0,0,0,0,0|1,0,0]=3 66 B5R0.1 CNCC(=O)O HY-W012791 [1,1,0,0,0,0|0,0,0]=2 67 B5R0.1 C\C=C\C(C)=O HY-34748 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.1 NOCC(=O)O HY-107994A [1,1,0,0,0,0|0,0,0]=2 69 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [1,1,0,0,0,0|0,0,0]=2 70 B5R0.3 CCC(O)CC HY-W087988 [1,1,0,0,0,0|1,0,1]=4 71 B5R0.3 CC[C@H](C)CO HY-W093104 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.3 CC[PH](=O)CC HY-W094280 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.3 OCC(Cl)CO HY-W585827 [1,1,0,0,0,0|1,0,1]=4 74 B5R0.3 OCC(O)CS HY-W010572 [1,1,0,0,0,0|0,0,1]=3 75 B5R0.3 OC[13CH](O)CO HY-B1659S2 [1,1,0,0,0,0|0,0,1]=3 76 B5R0.3 O[13CH2]C(O)[13CH2]O HY-B1659S4 [1,1,0,0,0,0|0,0,1]=3 77 B5R0.3 O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [1,1,0,0,0,0|0,0,1]=3 78 B7R0.2 NC[C@@H](F)C[PH](=O)O HY-10061B [0,1,0,0,0,1|2,0,0]=4 79 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [0,1,0,0,0,1|0,0,0]=2 80 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [0,1,0,0,0,1|1,0,0]=3 81 B7R0.2 O=C([O-])C[C@H](O)CO HY-113304A [0,1,0,0,0,1|0,0,1]=3 82 B7R0.9 CC(C)(O)CC(=O)O HY-113409 [0,1,0,0,0,1|0,0,0]=2 83 B7R0.16 CC(C(=O)O)C(=O)O HY-103395R [0,1,0,0,0,1|1,0,1]=4 84 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [0,1,0,0,0,1|1,0,0]=3 85 B7R0.16 CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [0,1,0,0,0,1|1,0,0]=3 86 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [0,1,0,0,0,1|1,0,0]=3 87 B7R0.16 [13CH3][13C@@H](O)[13C@H](N)[13C](=O)O HY-N0658S6 [0,1,0,0,0,1|0,0,0]=2 88 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](=O)O HY-N0658S3 [0,1,0,0,0,1|0,0,0]=2 89 B7R0.16 [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [0,1,0,0,0,1|1,0,0]=3 90 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [0,2,0,0,0,0|1,0,0]=3 91 B7R0.5 CCOC(=O)C(C)N HY-W099247 [0,2,0,0,0,0|1,0,0]=3 92 B7R0.5 COCC(N)C(=O)O HY-W012871 [0,2,0,0,0,0|1,0,0]=3 93 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [0,2,0,0,0,0|1,0,0]=3 94 B7R0.10 CC(=N/O)\C(C)=N\O HY-W012898 [0,2,0,0,0,0|1,0,1]=4 95 B7R0.10 COC(=O)C(N)CCl HY-W098273 [0,2,0,0,0,0|1,0,0]=3 96 B7R0.10 O=C(O[Na])[C@H](O)CO HY-139070A [0,2,0,0,0,0|0,0,0]=2 97 B7R0.10 O=C[C@H](O)[C@H](O)[13CH2]O HY-116956S3 [0,2,0,0,0,0|0,0,1]=3 98 B7R0.14 COC(=O)C(C)(C)N HY-W002520 [0,2,0,0,0,0|1,0,0]=3 99 B7R1.4 CC1OCCC1=O HY-W010608 [0,1,0,1,0,0|1,0,0]=3 100 B7R1.4 NN1CCOC1=O HY-W012982 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.19 NC1(C(=O)O)CC1 HY-30004 [0,1,0,1,0,0|1,0,0]=3 102 B7R1.19 NC1(C(=O)O)CC1 HY-30004R [0,1,0,1,0,0|1,0,0]=3 103 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [0,0,0,0,0,2|2,0,0]=4 104 B7R0.6 O=[13C](O)[13CH2][13CH2][13C](=O)O HY-N0420S2 [0,0,0,0,0,2|1,0,1]=4 105 B7R0.6 O=[13C](O)\C=C\[13C](=O)O HY-W015883S1 [0,0,0,0,0,2|1,0,1]=4