0 B5R0.1 NOCC(=O)O HY-107994A [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 CC(=O)CN HY-W004850 [1,0,0,0,0,0|1,0,1]=3 3 B4R0.1 CCB(O)O HY-W000933 [1,0,0,0,0,0|3,0,0]=4 4 B4R0.1 C[C@H](N)CO HY-Y0837 [1,0,0,0,0,0|2,0,0]=3 5 B4R0.1 C[C@H](O)CO HY-79334 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.2 CCCNC HY-W250110E [1,0,0,0,0,0|2,0,0]=3 11 B4R0.2 CCCNC HY-W250110I [1,0,0,0,0,0|2,0,0]=3 12 B6R0.2 CC(C)CC(=O)O HY-W012980R [0,1,0,0,0,0|1,0,1]=3 13 B6R0.2 CC(C)NC(C)C HY-B2210 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.5 C[N+](C)(C)[13CH2][13CH2]O HY-B1337S5 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.5 NCCS(=O)(=O)O HY-B0351 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.5 N[13CH2][13CH2]S(=O)(=O)O HY-B0351S1 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.5 [15NH2][13CH2][13CH2]S(=O)(=O)O HY-B0351S2 [0,1,0,0,0,0|3,0,0]=4 19 B6R1.2 [C@H]1(F)CCNC1 HY-W004695 [0,0,0,1,0,0|1,0,0]=2 20 B3R0.1 NCCS HY-77591R [2,0,0,0,0,0|1,0,0]=3 21 B3R0.1 N[13CH2][13CH2]O HY-W035903S [2,0,0,0,0,0|1,0,0]=3 22 B3R0.1 OCCO HY-Y0873 [2,0,0,0,0,0|2,0,0]=4 23 B3R0.1 OCCO HY-Y0873A3 [2,0,0,0,0,0|2,0,0]=4 24 B3R0.2 CC([15NH2])=O HY-Y0946S [2,0,0,0,0,0|1,0,1]=4 25 B3R0.2 CS(C)=O HY-Y0320 [2,0,0,0,0,0|2,0,0]=4 26 B3R0.2 CS(C)=O HY-Y0320C [2,0,0,0,0,0|2,0,0]=4 27 B3R0.2 CS(C)=O HY-Y0320D [2,0,0,0,0,0|2,0,0]=4 28 B5R0.3 CCC(O)CC HY-W087988 [1,1,0,0,0,0|1,0,0]=3 29 B5R0.3 CC[C@H](C)CO HY-W093104 [1,1,0,0,0,0|0,0,0]=2 30 B5R0.3 CC[PH](=O)CC HY-W094280 [1,1,0,0,0,0|2,0,0]=4 31 B5R0.3 OCC(Cl)CO HY-W585827 [1,1,0,0,0,0|2,0,0]=4 32 B5R0.3 OCC(O)CS HY-W010572 [1,1,0,0,0,0|2,0,0]=4 33 B5R0.3 OC[13CH](O)CO HY-B1659S2 [1,1,0,0,0,0|2,0,0]=4 34 B5R0.3 O[13CH2]C(O)[13CH2]O HY-B1659S4 [1,1,0,0,0,0|2,0,0]=4 35 B5R0.3 O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [1,1,0,0,0,0|2,0,0]=4 36 B5R0.4 CO[Si](C)(C)C HY-104035H [1,1,0,0,0,0|1,1,0]=4 37 B5R0.5 C[C@H](N)C(N)=O HY-75326 [1,1,0,0,0,0|1,0,1]=4 38 B5R0.2 C=CCCCO HY-W010639 [1,1,0,0,0,0|1,0,1]=4 39 B7R0.2 CC(C)C[C@H](N)CO HY-W015876 [0,2,0,0,0,0|0,0,0]=2 40 B7R0.11 C[N+](C)(CI)CCO HY-W130177 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.9 CC(C)(O)CC(=O)O HY-113409 [0,2,0,0,0,0|1,0,1]=4 42 B7R0.16 CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [0,2,0,0,0,0|1,0,1]=4 43 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [0,2,0,0,0,0|1,0,1]=4 44 B7R0.16 [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [0,2,0,0,0,0|1,0,1]=4 45 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [0,2,0,0,0,0|2,0,0]=4 46 B5R1.2 C[C@H]1CCN1 HY-35279 [1,0,0,1,0,0|1,0,0]=3 47 B5R1.1 C1CSCN1 HY-I0144 [1,0,0,1,0,0|1,0,0]=3 48 B7R1.1 [C@H]1(CN)CCCO1 HY-W010601 [0,1,0,1,0,0|2,0,0]=4 49 B7R1.3 CC1=CCCCC1 HY-W004338 [0,1,0,1,0,0|1,0,1]=4