0 B6R1.2 S=C1NCCO1 HY-W038985 [0,0,0,0,0,0|1,1,0]=2 1 B6R1.2 [C@H]1(F)CCNC1 HY-W004695 [0,0,0,0,0,0|3,0,1]=4 2 B5R1.1 C1CSCN1 HY-I0144 [1,0,0,0,0,0|1,1,1]=4 3 B7R1.1 O=CN1CCCC1 HY-W102648 [0,1,0,0,0,0|2,0,0]=3 4 B7R1.1 O=NN1CCCC1 HY-W141077 [0,1,0,0,0,0|2,0,0]=3 5 B7R1.1 [C@H]1(CN)CCCO1 HY-W010601 [0,1,0,0,0,0|1,0,1]=3 6 B7R1.2 O=C1CCC(=O)[15NH]1 HY-41877S [0,1,0,0,0,0|1,0,1]=3 7 B7R1.4 CC1OCCC1=O HY-W010608 [0,1,0,0,0,0|2,0,0]=3 8 B7R1.4 NN1CCOC1=O HY-W012982 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.14 O=S1(=O)CCCO1 HY-W010479 [0,1,0,0,0,0|1,0,0]=2 10 B5R0.1 CNCC(=O)O HY-W012791 [0,0,1,0,0,0|1,0,0]=2 11 B5R0.1 C\C=C\C(C)=O HY-34748 [0,0,1,0,0,0|1,0,1]=3 12 B5R0.1 NOCC(=O)O HY-107994A [0,0,1,0,0,0|2,0,0]=3 13 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [0,0,1,0,0,0|1,0,0]=2 14 B5R0.2 C=CCCCO HY-W010639 [0,0,1,0,0,0|1,0,0]=2 15 B5R0.3 CCC(O)CC HY-W087988 [0,0,1,0,0,0|1,0,2]=4 16 B5R0.3 CC[PH](=O)CC HY-W094280 [0,0,1,0,0,0|2,0,0]=3 17 B5R1.2 C[C@H]1CCN1 HY-35279 [0,0,0,0,1,0|2,0,1]=4 18 B7R1.3 CC1=CCCCC1 HY-W004338 [0,0,0,0,0,1|2,0,0]=3 19 B4R0.1 C=CC(=O)O HY-W243303B [1,0,1,0,0,0|0,0,2]=4 20 B4R0.1 C=CC(=O)O HY-W243303M [1,0,1,0,0,0|0,0,2]=4 21 B4R0.1 CC(=O)CN HY-W004850 [1,0,1,0,0,0|1,0,0]=3 22 B4R0.1 CCB(O)O HY-W000933 [1,0,1,0,0,0|1,0,1]=4 23 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [1,0,1,0,0,0|0,0,0]=2 24 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [1,0,1,0,0,0|1,0,0]=3 25 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [1,0,1,0,0,0|1,0,0]=3 26 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [1,0,1,0,0,0|1,0,0]=3 27 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [1,0,1,0,0,0|1,0,0]=3 28 B4R0.2 CCCNC HY-W250110E [1,0,1,0,0,0|1,0,1]=4 29 B4R0.2 CCCNC HY-W250110I [1,0,1,0,0,0|1,0,1]=4 30 B4R0.2 O=COO[Na] HY-ER013B [1,0,1,0,0,0|2,0,0]=4 31 B4R0.2 [Li]OOC=O HY-Y0292 [1,0,1,0,0,0|2,0,0]=4 32 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [0,1,1,0,0,0|0,0,0]=2 33 B6R0.2 CC(=O)CC(=O)O HY-112540 [0,1,1,0,0,0|0,0,1]=3 34 B6R0.2 CC(C)=CC(=O)O HY-W010611 [0,1,1,0,0,0|0,0,2]=4 35 B6R0.2 CC(C)CC(=O)O HY-W012980R [0,1,1,0,0,0|0,0,0]=2 36 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [0,1,1,0,0,0|0,0,2]=4 37 B6R0.3 CCC(=O)C(C)=O HY-W012998R [0,1,1,0,0,0|1,0,0]=3 38 B6R0.3 CCC(Br)C(=O)O HY-W015333 [0,1,1,0,0,0|0,0,0]=2 39 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [0,1,1,0,0,0|0,0,0]=2 40 B6R0.3 CNC(C)C(=O)O HY-W010591 [0,1,1,0,0,0|1,0,0]=3 41 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [0,1,1,0,0,0|1,0,0]=3 42 B6R0.3 O=C(O)C(=O)CO HY-113013 [0,1,1,0,0,0|1,0,1]=4 43 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [0,1,1,0,0,0|1,0,0]=3 44 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [0,1,1,0,0,0|1,0,0]=3 45 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [0,1,1,0,0,0|1,0,0]=3 46 B6R0.4 C#CCCC(=O)O HY-Y1230 [0,1,1,0,0,0|0,0,1]=3 47 B6R0.4 O=C(O)\C=C\CO HY-100982 [0,1,1,0,0,0|0,0,2]=4 48 B6R0.5 NCCS(=O)(=O)O HY-B0351 [0,1,1,0,0,0|2,0,0]=4 49 B6R0.5 N[13CH2][13CH2]S(=O)(=O)O HY-B0351S1 [0,1,1,0,0,0|2,0,0]=4 50 B6R0.5 [15NH2][13CH2][13CH2]S(=O)(=O)O HY-B0351S2 [0,1,1,0,0,0|2,0,0]=4 51 B6R0.6 OCCOCCO HY-B1952R [0,1,1,0,0,0|0,0,2]=4 52 B6R0.6 [N-]=[N+]=NCCCO HY-151851 [0,1,1,0,0,0|2,0,0]=4 53 B8R1.2 O=NN1CCOCC1 HY-131123 [0,1,0,0,0,1|2,0,0]=4 54 B8R1.4 CC1CCN=C(N)S1 HY-101251 [0,1,0,0,0,1|1,1,0]=4 55 B8R1.7 O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [0,2,0,0,0,0|1,0,1]=4 56 B8R1.7 O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [0,2,0,0,0,0|1,0,1]=4 57 B8R1.11 CCN1CCCC1=O HY-B1620D [0,2,0,0,0,0|1,0,0]=3 58 B8R1.11 CCN1CCCC1=O HY-B1620K [0,2,0,0,0,0|1,0,0]=3 59 B8R1.50 CC1C(=O)CCC1=O HY-W012944 [0,2,0,0,0,0|1,0,1]=4