0 B4R0.2 CCCNC HY-W250110E [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 CCCNC HY-W250110I [0,0,0,0,0,0|2,0,0]=2 2 B3R0.1 NCCS HY-77591R [1,0,0,0,0,0|1,1,0]=3 3 B3R0.1 N[13CH2][13CH2]O HY-W035903S [1,0,0,0,0,0|1,0,0]=2 4 B3R0.1 OCCO HY-Y0873 [1,0,0,0,0,0|1,0,0]=2 5 B3R0.1 OCCO HY-Y0873A3 [1,0,0,0,0,0|1,0,0]=2 6 B3R0.1 [13CH](=O)[13CH2]O HY-W779008 [1,0,0,0,0,0|1,0,1]=3 7 B5R0.1 CNCC(=O)O HY-W012791 [0,1,0,0,0,0|1,0,1]=3 8 B5R0.1 NOCC(=O)O HY-107994A [0,1,0,0,0,0|2,0,1]=4 9 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [0,1,0,0,0,0|1,0,1]=3 10 B5R0.2 C=CCCCO HY-W010639 [0,1,0,0,0,0|0,0,1]=2 11 B5R0.3 CCC(O)CC HY-W087988 [0,1,0,0,0,0|1,0,0]=2 12 B5R0.3 CC[C@H](C)CO HY-W093104 [0,1,0,0,0,0|0,0,0]=1 13 B5R0.3 CC[PH](=O)CC HY-W094280 [0,1,0,0,0,0|2,0,0]=3 14 B5R0.3 OCC(Cl)CO HY-W585827 [0,1,0,0,0,0|1,0,0]=2 15 B5R0.3 OCC(O)CS HY-W010572 [0,1,0,0,0,0|1,0,0]=2 16 B5R0.3 OC[13CH](O)CO HY-B1659S2 [0,1,0,0,0,0|1,0,0]=2 17 B5R0.3 O[13CH2]C(O)[13CH2]O HY-B1659S4 [0,1,0,0,0,0|1,0,0]=2 18 B5R0.3 O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [0,1,0,0,0,0|1,0,0]=2 19 B5R1.1 C1CSCN1 HY-I0144 [0,0,0,1,0,0|1,1,0]=3 20 B5R1.2 C[C@H]1CCN1 HY-35279 [0,0,0,1,0,0|1,0,0]=2 21 B2R0.1 C=CO HY-Y0850L [2,0,0,0,0,0|0,0,2]=4 22 B2R0.1 C=CO HY-Y0850M [2,0,0,0,0,0|0,0,2]=4 23 B2R0.1 C=CO HY-Y0850O [2,0,0,0,0,0|0,0,2]=4 24 B2R0.1 C=CO HY-Y0850U4 [2,0,0,0,0,0|0,0,2]=4 25 B2R0.1 [2H]OC HY-W025916 [2,0,0,0,0,0|2,0,0]=4 26 B2R0.1 [3H]CC HY-P99179 [2,0,0,0,0,0|1,0,0]=3 27 B4R0.1 CC(=O)CN HY-W004850 [1,1,0,0,0,0|1,0,1]=4 28 B4R0.1 CCB(O)O HY-W000933 [1,1,0,0,0,0|1,0,0]=3 29 B4R0.1 C[C@H](N)CO HY-Y0837 [1,1,0,0,0,0|0,0,0]=2 30 B4R0.1 C[C@H](O)CO HY-79334 [1,1,0,0,0,0|0,0,0]=2 31 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [1,1,0,0,0,0|0,0,1]=3 32 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [1,1,0,0,0,0|1,0,1]=4 33 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [1,1,0,0,0,0|1,0,1]=4 34 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [1,1,0,0,0,0|1,0,1]=4 35 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [0,2,0,0,0,0|0,0,1]=3 36 B6R0.2 CC(=O)CC(=O)O HY-112540 [0,2,0,0,0,0|0,0,2]=4 37 B6R0.2 CC(C)CC(=O)O HY-W012980R [0,2,0,0,0,0|0,0,1]=3 38 B6R0.2 CC(C)NC(C)C HY-B2210 [0,2,0,0,0,0|2,0,0]=4 39 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [0,2,0,0,0,0|0,0,0]=2 40 B6R0.3 CCC(Br)C(=O)O HY-W015333 [0,2,0,0,0,0|0,0,1]=3 41 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [0,2,0,0,0,0|0,0,1]=3 42 B6R0.3 CNC(C)C(=O)O HY-W010591 [0,2,0,0,0,0|1,0,1]=4 43 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [0,2,0,0,0,0|1,0,1]=4 44 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [0,2,0,0,0,0|1,0,1]=4 45 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [0,2,0,0,0,0|1,0,1]=4 46 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [0,2,0,0,0,0|1,0,1]=4 47 B6R0.4 C#CCCC(=O)O HY-Y1230 [0,2,0,0,0,0|0,0,2]=4 48 B6R0.5 C[N+](C)(C)[13CH2][13CH2]O HY-B1337S5 [0,2,0,0,0,0|1,0,0]=3 49 B6R0.5 NCCS(=O)(=O)O HY-B0351 [0,2,0,0,0,0|2,0,0]=4 50 B6R0.5 N[13CH2][13CH2]S(=O)(=O)O HY-B0351S1 [0,2,0,0,0,0|2,0,0]=4 51 B6R0.5 [15NH2][13CH2][13CH2]S(=O)(=O)O HY-B0351S2 [0,2,0,0,0,0|2,0,0]=4 52 B6R0.6 C#CCOCCBr HY-W190805 [0,2,0,0,0,0|1,0,1]=4 53 B6R0.6 C#CCOCCI HY-W251756 [0,2,0,0,0,0|1,0,1]=4 54 B6R0.6 NCCOCCS HY-140651 [0,2,0,0,0,0|0,1,0]=3 55 B6R0.6 NCCOCCS HY-168937D [0,2,0,0,0,0|0,1,0]=3 56 B6R0.6 OCCOCCO HY-B1952R [0,2,0,0,0,0|0,0,0]=2 57 B6R0.6 [N-]=[N+]=NCCCO HY-151851 [0,2,0,0,0,0|1,0,0]=3 58 B6R1.2 S=C1NCCO1 HY-W038985 [0,1,0,1,0,0|1,0,1]=4 59 B6R1.2 [C@H]1(F)CCNC1 HY-W004695 [0,1,0,1,0,0|1,0,0]=3 60 B6R1.6 OC[C@H]1CCN1 HY-W061628 [0,1,0,1,0,0|0,0,0]=2