0 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 CNCC(=O)O HY-W012791 [1,0,0,0,0,0|3,0,0]=4 2 B5R0.1 C\C=C\C(C)=O HY-34748 [1,0,0,0,0,0|1,0,1]=3 3 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.3 CCC(O)CC HY-W087988 [1,0,0,0,0,0|0,0,2]=3 5 B5R0.3 CC[C@H](C)CO HY-W093104 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.3 CC[PH](=O)CC HY-W094280 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.3 C=CC(=O)NCCO HY-W095198 [0,1,0,0,0,0|0,0,2]=3 8 B7R0.3 CCC(=O)OCOC HY-41616 [0,1,0,0,0,0|1,0,0]=2 9 B7R0.3 CCC(=O)\C=C\C=O HY-N12851 [0,1,0,0,0,0|1,0,2]=4 10 B7R0.3 CCCCC(=O)O[Na] HY-W007087 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.5 CCOC(=O)C(C)N HY-W099247 [0,1,0,0,0,0|1,0,0]=2 12 B7R0.7 CCOC(=O)CNC HY-Y1144 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.10 COC(=O)C(N)CCl HY-W098273 [0,1,0,0,0,0|3,0,0]=4 14 B7R1.2 O=C1CCC(=O)[15NH]1 HY-41877S [0,0,0,1,0,0|1,0,1]=3 15 B7R1.3 CC1=CCCCC1 HY-W004338 [0,0,0,1,0,0|2,0,0]=3 16 B7R1.4 CC1OCCC1=O HY-W010608 [0,0,0,1,0,0|2,0,0]=3 17 B7R1.4 NN1CCOC1=O HY-W012982 [0,0,0,1,0,0|3,0,0]=4 18 B4R0.1 C=CC(N)=O HY-W115727E [2,0,0,0,0,0|0,0,2]=4 19 B4R0.1 CC(=O)CN HY-W004850 [2,0,0,0,0,0|1,0,0]=3 20 B4R0.1 CSC(=N)N HY-79457 [2,0,0,0,0,0|2,0,0]=4 21 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [2,0,0,0,0,0|1,0,0]=3 22 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [2,0,0,0,0,0|2,0,0]=4 23 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [2,0,0,0,0,0|2,0,0]=4 24 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [2,0,0,0,0,0|2,0,0]=4 25 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [2,0,0,0,0,0|2,0,0]=4 26 B4R0.2 CCCNC HY-W250110E [2,0,0,0,0,0|0,0,1]=3 27 B4R0.2 CCCNC HY-W250110I [2,0,0,0,0,0|0,0,1]=3 28 B6R0.2 CC(C)CC(=O)O HY-W012980R [1,1,0,0,0,0|2,0,0]=4 29 B6R0.2 CC(C)NC(C)C HY-B2210 [1,1,0,0,0,0|1,0,1]=4 30 B6R0.3 CCC(=O)C(C)=O HY-W012998R [1,1,0,0,0,0|1,0,0]=3 31 B6R0.3 CCC(Br)C(=O)O HY-W015333 [1,1,0,0,0,0|2,0,0]=4 32 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [1,1,0,0,0,0|2,0,0]=4 33 B8R0.5 CCOC(=O)C[C@@H](C)O HY-Y1131 [0,2,0,0,0,0|1,0,0]=3 34 B8R0.24 CS(=O)(=O)NC(=O)CCl HY-79681 [0,2,0,0,0,0|2,0,0]=4 35 B8R0.1 CCCOC(=O)OCCl HY-Z2475 [0,2,0,0,0,0|2,0,0]=4 36 B8R0.3 CCOC(=O)[C@@H](N)CO HY-W016996 [0,2,0,0,0,0|1,0,0]=3 37 B8R0.3 CCOC(=O)[C@@H](N)CS HY-Y1875 [0,2,0,0,0,0|1,0,0]=3 38 B8R0.9 NCC(=O)NCC(=O)O HY-D0889 [0,2,0,0,0,0|1,0,1]=4 39 B8R0.30 CCOP(=O)(O)OCC HY-101417 [0,2,0,0,0,0|2,0,0]=4 40 B6R1.2 S=C1NCCO1 HY-W038985 [1,0,0,1,0,0|1,0,1]=4 41 B6R1.6 OC[C@H]1CCN1 HY-W061628 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.4 CC1CCN=C(N)S1 HY-101251 [0,1,0,1,0,0|1,0,1]=4 43 B8R1.50 CC1C(=O)CCC1=O HY-W012944 [0,1,0,1,0,0|1,0,1]=4 44 B8R1.11 CCN1CCCC1=O HY-B1620D [0,1,0,1,0,0|0,0,0]=2 45 B8R1.11 CCN1CCCC1=O HY-B1620K [0,1,0,1,0,0|0,0,0]=2