0 B5R0.3 CCC(O)CC HY-W087988 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 CC[C@H](C)CO HY-W093104 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 CC[PH](=O)CC HY-W094280 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 OCC(Cl)CO HY-W585827 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.3 OCC(O)CS HY-W010572 [0,0,0,0,0,0|0,1,2]=3 5 B5R0.3 OC[13CH](O)CO HY-B1659S2 [0,0,0,0,0,0|0,0,2]=2 6 B5R0.3 O[13CH2]C(O)[13CH2]O HY-B1659S4 [0,0,0,0,0,0|0,0,2]=2 7 B5R0.3 O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [0,0,0,0,0,0|0,0,2]=2 8 B4R0.1 C=CC(=O)O HY-W243303B [1,0,0,0,0,0|1,0,1]=3 9 B4R0.1 C=CC(=O)O HY-W243303M [1,0,0,0,0,0|1,0,1]=3 10 B4R0.1 C=CC(N)=O HY-W115727E [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 CC(=O)CN HY-W004850 [1,0,0,0,0,0|1,0,0]=2 12 B4R0.1 CCB(O)O HY-W000933 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 C[C@H](N)CO HY-Y0837 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.1 C[C@H](O)CO HY-79334 [1,0,0,0,0,0|0,0,2]=3 15 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [1,0,0,0,0,0|1,0,0]=2 16 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [1,0,0,0,0,0|1,0,0]=2 18 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.3 CCC(=O)C(C)=O HY-W012998R [0,1,0,0,0,0|1,0,2]=4 23 B6R0.3 C[C@H](O)[13C](=O)O[Na] HY-Y0479AS2 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [0,1,0,0,0,0|1,0,2]=4 25 B6R0.3 O=C(O)C(=O)CO HY-113013 [0,1,0,0,0,0|0,0,1]=2 26 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [0,1,0,0,0,0|1,0,2]=4 27 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [0,1,0,0,0,0|1,0,2]=4 28 B6R1.6 OC[C@H]1CCN1 HY-W061628 [0,0,0,1,0,0|2,0,1]=4 29 B3R0.1 NCCS HY-77591R [2,0,0,0,0,0|1,1,0]=4 30 B3R0.1 N[13CH2][13CH2]O HY-W035903S [2,0,0,0,0,0|1,0,0]=3 31 B3R0.1 O=CO[Na] HY-W088065 [2,0,0,0,0,0|2,0,0]=4 32 B3R0.1 O=[13CH]O[Na] HY-W088065S [2,0,0,0,0,0|2,0,0]=4 33 B3R0.1 OCCO HY-Y0873 [2,0,0,0,0,0|0,0,0]=2 34 B3R0.1 OCCO HY-Y0873A3 [2,0,0,0,0,0|0,0,0]=2 35 B3R0.1 [13CH](=O)[13CH2]O HY-W779008 [2,0,0,0,0,0|0,0,0]=2 36 B3R0.2 CC(=O)O HY-P0119A [2,0,0,0,0,0|0,0,0]=2 37 B3R0.2 CC([15NH2])=O HY-Y0946S [2,0,0,0,0,0|1,0,0]=3 38 B3R0.2 CS(C)=O HY-Y0320 [2,0,0,0,0,0|1,0,0]=3 39 B3R0.2 CS(C)=O HY-Y0320C [2,0,0,0,0,0|1,0,0]=3 40 B3R0.2 CS(C)=O HY-Y0320D [2,0,0,0,0,0|1,0,0]=3 41 B3R0.2 O=[Si](O)O HY-B0314 [2,0,0,0,0,0|0,1,0]=3 42 B3R0.2 O[AlH3](O)O HY-W116335A [2,0,0,0,0,0|1,0,1]=4 43 B3R0.2 [2H][13C](=O)O HY-W088065S1 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.1 CNCC(=O)O HY-W012791 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.1 C\C=C\C(C)=O HY-34748 [1,1,0,0,0,0|1,0,1]=4 46 B5R0.1 NOCC(=O)O HY-107994A [1,1,0,0,0,0|0,0,0]=2 47 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [1,1,0,0,0,0|1,0,0]=3 48 B5R0.5 CC(N)[13C](=O)O HY-N2362S [1,1,0,0,0,0|1,0,0]=3 49 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [1,1,0,0,0,0|1,0,0]=3 50 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.5 C[C@H](N)C(N)=O HY-75326 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [1,1,0,0,0,0|1,0,0]=3 53 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [1,1,0,0,0,0|1,0,0]=3 54 B5R0.5 O=C(O)C(I)I HY-133659 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.5 O=[13C](O)[13C](=O)O HY-Y0262S1 [1,1,0,0,0,0|0,0,1]=3 56 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [1,1,0,0,0,0|1,0,0]=3 57 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [1,1,0,0,0,0|1,0,0]=3 58 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [1,1,0,0,0,0|1,0,0]=3 59 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [1,1,0,0,0,0|0,0,0]=2 60 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [1,1,0,0,0,0|1,0,0]=3 61 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [1,1,0,0,0,0|1,0,0]=3 62 B5R0.2 C=CCCCO HY-W010639 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [0,2,0,0,0,0|1,0,1]=4 64 B7R0.3 C=CC(=O)NCCO HY-W095198 [0,2,0,0,0,0|1,0,1]=4 65 B7R0.3 CCC(=O)OCOC HY-41616 [0,2,0,0,0,0|1,0,0]=3 66 B7R0.5 CCOC(=O)C(C)N HY-W099247 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.7 CCOC(=O)CNC HY-Y1144 [0,2,0,0,0,0|2,0,0]=4 68 B7R0.10 O=C(O[Na])[C@H](O)CO HY-139070A [0,2,0,0,0,0|2,0,0]=4 69 B7R0.10 O=C[C@H](O)[C@H](O)[13CH2]O HY-116956S3 [0,2,0,0,0,0|0,0,2]=4 70 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [0,2,0,0,0,0|1,0,1]=4 71 B7R1.4 CC1OCCC1=O HY-W010608 [0,1,0,1,0,0|1,0,0]=3