0 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.1 CNCC(=O)O HY-W012791 [1,0,0,0,0,0|2,0,0]=3 2 B5R0.1 C\C=C\C(C)=O HY-34748 [1,0,0,0,0,0|0,0,2]=3 3 B5R0.1 NOCC(=O)O HY-107994A [1,0,0,0,0,0|3,0,0]=4 4 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.3 CCC(O)CC HY-W087988 [1,0,0,0,0,0|0,0,2]=3 6 B5R0.3 CC[C@H](C)CO HY-W093104 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.3 CC[PH](=O)CC HY-W094280 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.2 CC(C)C[C@H](N)CO HY-W015876 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.3 C#CCCC(=O)O[Na] HY-15286 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.3 C=CC(=O)NCCO HY-W095198 [0,1,0,0,0,0|1,0,2]=4 11 B7R0.3 CCC(=O)OCOC HY-41616 [0,1,0,0,0,0|1,0,0]=2 12 B7R0.3 CCC(=O)\C=C\C=O HY-N12851 [0,1,0,0,0,0|0,0,3]=4 13 B7R0.3 CCCCC(=O)O[Na] HY-W007087 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.5 CCOC(=O)C(C)N HY-W099247 [0,1,0,0,0,0|1,0,0]=2 15 B7R0.7 CCOC(=O)CNC HY-Y1144 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.10 COC(=O)C(N)CCl HY-W098273 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.10 O=C(O[Na])[C@H](O)CO HY-139070A [0,1,0,0,0,0|3,0,0]=4 18 B7R1.1 [C@H]1(CN)CCCO1 HY-W010601 [0,0,0,1,0,0|1,0,2]=4 19 B7R1.2 O=C1CCC(=O)[15NH]1 HY-41877S [0,0,0,1,0,0|2,0,1]=4 20 B7R1.3 CC1=CCCCC1 HY-W004338 [0,0,0,1,0,0|1,0,1]=3 21 B7R1.4 CC1OCCC1=O HY-W010608 [0,0,0,1,0,0|1,0,0]=2 22 B7R1.4 NN1CCOC1=O HY-W012982 [0,0,0,1,0,0|3,0,0]=4 23 B4R0.1 CC(=O)CN HY-W004850 [2,0,0,0,0,0|1,0,0]=3 24 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [2,0,0,0,0,0|1,0,0]=3 25 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [2,0,0,0,0,0|2,0,0]=4 26 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [2,0,0,0,0,0|2,0,0]=4 27 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [2,0,0,0,0,0|2,0,0]=4 28 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [2,0,0,0,0,0|2,0,0]=4 29 B4R0.2 CCCNC HY-W250110E [2,0,0,0,0,0|1,0,0]=3 30 B4R0.2 CCCNC HY-W250110I [2,0,0,0,0,0|1,0,0]=3 31 B6R0.2 CC(=O)CC(=O)O HY-112540 [1,1,0,0,0,0|1,0,1]=4 32 B6R0.2 CC(C)CC(=O)O HY-W012980R [1,1,0,0,0,0|1,0,0]=3 33 B6R0.3 CCC(=O)C(C)=O HY-W012998R [1,1,0,0,0,0|0,0,1]=3 34 B6R0.3 CCC(Br)C(=O)O HY-W015333 [1,1,0,0,0,0|1,0,0]=3 35 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [1,1,0,0,0,0|1,0,0]=3 36 B6R0.3 CNC(C)C(=O)O HY-W010591 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [1,1,0,0,0,0|2,0,0]=4 38 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [1,1,0,0,0,0|2,0,0]=4 39 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.4 C#CCCC(=O)O HY-Y1230 [1,1,0,0,0,0|1,0,1]=4 42 B6R0.6 NCCOCCS HY-140651 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.6 NCCOCCS HY-168937D [1,1,0,0,0,0|2,0,0]=4 44 B6R0.6 OCCOCCO HY-B1952R [1,1,0,0,0,0|2,0,0]=4 45 B8R0.5 CCOC(=O)C[C@@H](C)O HY-Y1131 [0,2,0,0,0,0|0,0,0]=2 46 B8R0.1 CCCOC(=O)OCCl HY-Z2475 [0,2,0,0,0,0|1,0,0]=3 47 B8R0.3 CCOC(=O)[C@@H](N)CO HY-W016996 [0,2,0,0,0,0|1,0,0]=3 48 B8R0.3 CCOC(=O)[C@@H](N)CS HY-Y1875 [0,2,0,0,0,0|1,0,0]=3 49 B8R0.9 NCC(=O)CCC(=O)O HY-W000450 [0,2,0,0,0,0|1,0,1]=4 50 B8R0.30 CCOP(=O)(O)OCC HY-101417 [0,2,0,0,0,0|2,0,0]=4 51 B6R1.6 OC[C@H]1CCN1 HY-W061628 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.4 CC1CCN=C(N)S1 HY-101251 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.2 O=NN1CCOCC1 HY-131123 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.50 CC1C(=O)CCC1=O HY-W012944 [0,1,0,1,0,0|0,0,1]=3 55 B8R1.11 CCN1CCCC1=O HY-B1620D [0,1,0,1,0,0|0,0,0]=2 56 B8R1.11 CCN1CCCC1=O HY-B1620K [0,1,0,1,0,0|0,0,0]=2