0 B6R1.2 CC1=CNN=C1 HY-B0876 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 IC1=CNN=C1 HY-I0312 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 S=C1N=CNN1 HY-W012991 [0,0,0,0,0,0|3,1,0]=4 3 B6R1.2 S=C1NCCO1 HY-W038985 [0,0,0,0,0,0|2,1,1]=4 4 B7R1.1 O=CC1=CC=CN1 HY-77817 [0,1,0,0,0,0|2,0,0]=3 5 B7R1.1 O=CC1=COC=C1 HY-76224 [0,1,0,0,0,0|1,0,0]=2 6 B7R1.2 O=C1CCC(=O)[15NH]1 HY-41877S [0,1,0,0,0,0|3,0,0]=4 7 B7R1.4 CC1OCCC1=O HY-W010608 [0,1,0,0,0,0|1,0,2]=4 8 B7R1.4 NN1CCOC1=O HY-W012982 [0,1,0,0,0,0|2,0,1]=4 9 B5R0.1 CNCC(=O)O HY-W012791 [0,0,1,0,0,0|2,0,1]=4 10 B5R0.1 C\C=C\C(C)=O HY-34748 [0,0,1,0,0,0|2,0,0]=3 11 B5R0.1 NOCC(=O)O HY-107994A [0,0,1,0,0,0|2,0,1]=4 12 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [0,0,1,0,0,0|1,0,2]=4 13 B7R1.3 ClC1=CC=NC=C1 HY-Y0178 [0,0,0,0,0,1|3,0,0]=4 14 B7R1.3 OC1=CC=NC=C1 HY-W007690 [0,0,0,0,0,1|2,0,1]=4 15 B4R0.1 C=CC(=O)O HY-W243303B [1,0,1,0,0,0|0,0,0]=2 16 B4R0.1 C=CC(=O)O HY-W243303M [1,0,1,0,0,0|0,0,0]=2 17 B4R0.1 C=CC(N)=O HY-W115727E [1,0,1,0,0,0|1,0,0]=3 18 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [1,0,1,0,0,0|0,0,2]=4 19 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [1,0,1,0,0,0|1,0,1]=4 20 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [1,0,1,0,0,0|1,0,1]=4 21 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [1,0,1,0,0,0|1,0,1]=4 22 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [1,0,1,0,0,0|1,0,1]=4 23 B4R0.2 O=COO[Na] HY-ER013B [1,0,1,0,0,0|1,0,0]=3 24 B4R0.2 [Li]OOC=O HY-Y0292 [1,0,1,0,0,0|1,0,0]=3 25 B6R0.2 CC(=O)CC(=O)O HY-112540 [0,1,1,0,0,0|0,0,2]=4 26 B6R0.2 CC(C)=CC(=O)O HY-W010611 [0,1,1,0,0,0|1,0,0]=3 27 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [0,1,1,0,0,0|1,0,0]=3 28 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [0,1,1,0,0,0|0,0,2]=4 29 B6R0.3 O=C(O)C(=O)CO HY-113013 [0,1,1,0,0,0|0,0,1]=3 30 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [0,1,1,0,0,0|0,0,2]=4 31 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [0,1,1,0,0,0|0,0,2]=4 32 B6R0.4 O=C(O)\C=C\CO HY-100982 [0,1,1,0,0,0|0,0,0]=2 33 B8R1.4 NC1=NC(=O)NC=C1 HY-I0626R [0,1,0,0,0,1|2,0,0]=4 34 B8R1.4 O=C1C=NNC(=O)N1 HY-W008232 [0,1,0,0,0,1|2,0,0]=4 35 B8R1.4 O=[13C]1[13CH]=[13CH]N[13C](=O)N1 HY-I0960S1 [0,1,0,0,0,1|2,0,0]=4 36 B8R1.7 CC(=O)C1=CC=CN1 HY-W012956 [0,2,0,0,0,0|2,0,0]=4 37 B8R1.7 O=C(O)C1=CC=CN1 HY-W001963 [0,2,0,0,0,0|2,0,0]=4