0 B4R0.1 C=CC(=O)O HY-W243303B [0,0,0,0,0,0|0,0,2]=2 1 B4R0.1 C=CC(=O)O HY-W243303M [0,0,0,0,0,0|0,0,2]=2 2 B4R0.1 C=CC(N)=O HY-W115727E [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 CC(=O)CN HY-W004850 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 CCB(O)O HY-W000933 [0,0,0,0,0,0|1,0,1]=2 5 B4R0.1 CSC(=N)N HY-79457 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 C[C@H](N)CO HY-Y0837 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 C[C@H](O)CO HY-79334 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 NNC(N)=[Se] HY-128222 [0,0,0,0,0,0|3,1,0]=4 9 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [0,0,0,0,0,0|0,0,0]=0 10 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [0,0,0,0,0,0|1,0,0]=1 12 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [0,0,0,0,0,0|1,0,0]=1 13 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [0,0,0,0,0,0|1,0,0]=1 14 B3R0.1 NCCS HY-77591R [1,0,0,0,0,0|1,1,1]=4 15 B3R0.1 N[13CH2][13CH2]O HY-W035903S [1,0,0,0,0,0|1,0,1]=3 16 B3R0.1 O=CO[Na] HY-W088065 [1,0,0,0,0,0|2,0,0]=3 17 B3R0.1 O=[13CH]O[Na] HY-W088065S [1,0,0,0,0,0|2,0,0]=3 18 B3R0.1 OCCO HY-Y0873 [1,0,0,0,0,0|1,0,1]=3 19 B3R0.1 OCCO HY-Y0873A3 [1,0,0,0,0,0|1,0,1]=3 20 B3R0.1 [13CH](=O)[13CH2]O HY-W779008 [1,0,0,0,0,0|1,0,0]=2 21 B3R0.2 CC(=O)O HY-P0119A [1,0,0,0,0,0|0,0,0]=1 22 B3R0.2 CC([15NH2])=O HY-Y0946S [1,0,0,0,0,0|1,0,0]=2 23 B3R0.2 CS(C)=O HY-Y0320 [1,0,0,0,0,0|2,0,0]=3 24 B3R0.2 CS(C)=O HY-Y0320C [1,0,0,0,0,0|2,0,0]=3 25 B3R0.2 CS(C)=O HY-Y0320D [1,0,0,0,0,0|2,0,0]=3 26 B3R0.2 O=[Si](O)O HY-B0314 [1,0,0,0,0,0|1,1,0]=3 27 B3R0.2 O[AlH3](O)O HY-W116335A [1,0,0,0,0,0|2,0,1]=4 28 B3R0.2 [2H][13C](=O)O HY-W088065S1 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.1 CNCC(=O)O HY-W012791 [0,1,0,0,0,0|0,0,0]=1 30 B5R0.1 C\C=C\C(C)=O HY-34748 [0,1,0,0,0,0|1,0,1]=3 31 B5R0.1 NOCC(=O)O HY-107994A [0,1,0,0,0,0|1,0,0]=2 32 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [0,1,0,0,0,0|0,0,0]=1 33 B5R0.3 CCC(O)CC HY-W087988 [0,1,0,0,0,0|1,0,1]=3 34 B5R0.3 CC[C@H](C)CO HY-W093104 [0,1,0,0,0,0|1,0,1]=3 35 B5R0.3 CC[PH](=O)CC HY-W094280 [0,1,0,0,0,0|2,0,0]=3 36 B5R0.3 OCC(Cl)CO HY-W585827 [0,1,0,0,0,0|2,0,1]=4 37 B5R0.3 OCC(O)CS HY-W010572 [0,1,0,0,0,0|1,0,2]=4 38 B5R0.3 OC[13CH](O)CO HY-B1659S2 [0,1,0,0,0,0|1,0,2]=4 39 B5R0.3 O[13CH2]C(O)[13CH2]O HY-B1659S4 [0,1,0,0,0,0|1,0,2]=4 40 B5R0.3 O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [0,1,0,0,0,0|1,0,2]=4 41 B5R0.4 CSS(C)(=O)=O HY-W004461 [0,1,0,0,0,0|2,0,1]=4 42 B5R0.4 C[As](=O)(O)O[Na] HY-W714225 [0,1,0,0,0,0|3,0,0]=4 43 B5R0.5 CC(N)[13C](=O)O HY-N2362S [0,1,0,0,0,0|0,0,0]=1 44 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [0,1,0,0,0,0|0,0,0]=1 45 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [0,1,0,0,0,0|0,0,0]=1 46 B5R0.5 C[C@H](N)C(N)=O HY-75326 [0,1,0,0,0,0|1,0,0]=2 47 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [0,1,0,0,0,0|0,0,0]=1 48 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [0,1,0,0,0,0|0,0,0]=1 49 B5R0.5 O=C(O)C(I)I HY-133659 [0,1,0,0,0,0|1,0,0]=2 50 B5R0.5 O=C([O-])C(=O)[O-] HY-W140731 [0,1,0,0,0,0|1,0,2]=4 51 B5R0.5 O=[13C](O)[13C](=O)O HY-Y0262S1 [0,1,0,0,0,0|1,0,1]=3 52 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [0,1,0,0,0,0|0,0,0]=1 53 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [0,1,0,0,0,0|0,0,0]=1 54 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [0,1,0,0,0,0|0,0,0]=1 55 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [0,1,0,0,0,0|0,0,0]=1 56 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [0,1,0,0,0,0|0,0,0]=1 57 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [0,1,0,0,0,0|0,0,0]=1 58 B5R1.2 C[C@H]1CCN1 HY-35279 [0,0,0,1,0,0|2,0,1]=4 59 B2R0.1 C=CO HY-Y0850L [2,0,0,0,0,0|0,0,1]=3 60 B2R0.1 C=CO HY-Y0850M [2,0,0,0,0,0|0,0,1]=3 61 B2R0.1 C=CO HY-Y0850O [2,0,0,0,0,0|0,0,1]=3 62 B2R0.1 C=CO HY-Y0850U4 [2,0,0,0,0,0|0,0,1]=3 63 B2R0.1 [15NH2]C=O HY-Y0842S3 [2,0,0,0,0,0|1,0,0]=3 64 B2R0.1 [2H]OC HY-W025916 [2,0,0,0,0,0|2,0,0]=4 65 B2R0.1 [3H]CC HY-P99179 [2,0,0,0,0,0|1,0,0]=3 66 B4R0.2 CCCNC HY-W250110E [1,1,0,0,0,0|1,0,1]=4 67 B4R0.2 CCCNC HY-W250110I [1,1,0,0,0,0|1,0,1]=4 68 B4R0.2 O=COO[Na] HY-ER013B [1,1,0,0,0,0|2,0,0]=4 69 B4R0.2 [Li]OOC=O HY-Y0292 [1,1,0,0,0,0|2,0,0]=4 70 B4R0.3 O=S(=O)(O)O HY-W115752 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [0,2,0,0,0,0|0,0,0]=2 72 B6R0.2 CC(=O)CC(=O)O HY-112540 [0,2,0,0,0,0|0,0,0]=2 73 B6R0.2 CC(C)=CC(=O)O HY-W010611 [0,2,0,0,0,0|0,0,1]=3 74 B6R0.2 CC(C)CC(=O)O HY-W012980R [0,2,0,0,0,0|0,0,0]=2 75 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [0,2,0,0,0,0|0,0,1]=3 76 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913 [0,2,0,0,0,0|0,0,1]=3 77 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913R [0,2,0,0,0,0|0,0,1]=3 78 B6R0.3 CC(=O)[13C](=O)O[Na] HY-Y0781S3 [0,2,0,0,0,0|0,0,1]=3 79 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [0,2,0,0,0,0|1,0,1]=4 80 B6R0.3 CCC(=O)C(C)=O HY-W012998R [0,2,0,0,0,0|0,0,1]=3 81 B6R0.3 CCC(Br)C(=O)O HY-W015333 [0,2,0,0,0,0|0,0,0]=2 82 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [0,2,0,0,0,0|0,0,0]=2 83 B6R0.3 CN(N=O)C(N)=O HY-34758 [0,2,0,0,0,0|2,0,0]=4 84 B6R0.3 CNC(C)C(=O)O HY-W010591 [0,2,0,0,0,0|0,0,0]=2 85 B6R0.3 C[13C](=O)C(=O)O[Na] HY-Y0781S [0,2,0,0,0,0|0,0,1]=3 86 B6R0.3 C[C@H](O)[13C](=O)O[Na] HY-Y0479AS2 [0,2,0,0,0,0|0,0,0]=2 87 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [0,2,0,0,0,0|0,0,0]=2 88 B6R0.3 O=C(O)C(=O)CO HY-113013 [0,2,0,0,0,0|0,0,1]=3 89 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [0,2,0,0,0,0|0,0,0]=2 90 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [0,2,0,0,0,0|0,0,0]=2 91 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [0,2,0,0,0,0|0,0,0]=2 92 B6R0.4 C#CCCC(=O)O HY-Y1230 [0,2,0,0,0,0|0,0,0]=2 93 B6R0.4 O=C(O)\C=C\CO HY-100982 [0,2,0,0,0,0|0,0,1]=3 94 B6R0.5 NCCS(=O)(=O)O HY-B0351 [0,2,0,0,0,0|1,0,0]=3 95 B6R0.5 N[13CH2][13CH2]S(=O)(=O)O HY-B0351S1 [0,2,0,0,0,0|1,0,0]=3 96 B6R0.5 [15NH2][13CH2][13CH2]S(=O)(=O)O HY-B0351S2 [0,2,0,0,0,0|1,0,0]=3 97 B6R0.7 CC(C)(Br)C(=O)Br HY-Y0238 [0,2,0,0,0,0|1,0,0]=3 98 B6R0.7 O=C(O)C(F)(F)F HY-P0312 [0,2,0,0,0,0|1,0,0]=3 99 B6R0.7 [2H]C([2H])(N)C(=O)O HY-Y0966S1 [0,2,0,0,0,0|1,0,0]=3 100 B6R0.7 [2H][C@@](C)(N)C(=O)O HY-W141857 [0,2,0,0,0,0|0,0,0]=2 101 B6R1.2 S=C1NCCO1 HY-W038985 [0,1,0,1,0,0|0,1,0]=3 102 B6R1.6 OC[C@H]1CCN1 HY-W061628 [0,1,0,1,0,0|1,0,1]=4