0 B7R1.2 O=C1CCC(=O)[15NH]1 HY-41877S [0,0,0,0,0,0|2,0,1]=3 1 B6R1.2 S=C1NCCO1 HY-W038985 [1,0,0,0,0,0|1,1,0]=3 2 B6R1.2 [C@H]1(F)CCNC1 HY-W004695 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.50 CC1C(=O)CCC1=O HY-W012944 [0,1,0,0,0,0|2,0,1]=4 4 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [0,0,1,0,0,0|3,0,0]=4 5 B6R0.2 CC(C)=CC(=O)O HY-W010611 [0,0,1,0,0,0|2,0,1]=4 6 B6R0.2 CC(C)CC(=O)O HY-W012980R [0,0,1,0,0,0|2,0,0]=3 7 B6R0.2 CC(C)NC(C)C HY-B2210 [0,0,1,0,0,0|2,0,1]=4 8 B6R0.4 C#CCCC(=O)O HY-Y1230 [0,0,1,0,0,0|0,0,2]=3 9 B6R0.4 O=C(O)\C=C\CO HY-100982 [0,0,1,0,0,0|1,0,2]=4 10 B8R1.4 CC1CCN=C(N)S1 HY-101251 [0,0,0,0,0,1|1,1,0]=3 11 B5R0.1 CNCC(=O)O HY-W012791 [1,0,1,0,0,0|1,0,0]=3 12 B5R0.1 C\C=C\C(C)=O HY-34748 [1,0,1,0,0,0|1,0,1]=4 13 B5R0.1 NOCC(=O)O HY-107994A [1,0,1,0,0,0|2,0,0]=4 14 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [1,0,1,0,0,0|1,0,0]=3 15 B5R0.2 C=CCCCO HY-W010639 [1,0,1,0,0,0|1,0,0]=3 16 B5R0.3 CCC(O)CC HY-W087988 [1,0,1,0,0,0|0,0,2]=4 17 B5R0.3 CC[C@H](C)CO HY-W093104 [1,0,1,0,0,0|0,0,2]=4 18 B5R0.3 CC[PH](=O)CC HY-W094280 [1,0,1,0,0,0|1,0,0]=3 19 B7R0.3 CCC(=O)OCOC HY-41616 [0,1,1,0,0,0|0,0,0]=2 20 B7R0.5 CCOC(=O)C(C)N HY-W099247 [0,1,1,0,0,0|0,0,0]=2 21 B7R0.7 CCOC(=O)CNC HY-Y1144 [0,1,1,0,0,0|0,0,0]=2 22 B7R0.9 CC(C)(O)CC(=O)O HY-113409 [0,1,1,0,0,0|2,0,0]=4 23 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [0,1,1,0,0,0|2,0,0]=4 24 B7R0.16 CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [0,1,1,0,0,0|2,0,0]=4 25 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [0,1,1,0,0,0|2,0,0]=4 26 B7R0.16 [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [0,1,1,0,0,0|2,0,0]=4 27 B7R0.4 NCCNCC(=O)O HY-W012883 [0,1,1,0,0,0|1,0,0]=3 28 B7R0.4 O=C(O)COCCO HY-W591338A [0,1,1,0,0,0|1,0,0]=3 29 B7R0.4 O=C(O)COCCO HY-W591338B [0,1,1,0,0,0|1,0,0]=3 30 B7R0.4 O=C(O)COCCS HY-140728 [0,1,1,0,0,0|1,0,0]=3 31 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [0,1,1,0,0,0|1,0,0]=3 32 B7R0.6 O=[13C](O)[13CH2][13CH2][13C](=O)O HY-N0420S2 [0,1,1,0,0,0|1,0,1]=4 33 B7R1.1 O=CN1CCCC1 HY-W102648 [1,1,0,0,0,0|2,0,0]=4 34 B7R1.1 O=NN1CCCC1 HY-W141077 [1,1,0,0,0,0|2,0,0]=4 35 B7R1.1 [C@H]1(CN)CCCO1 HY-W010601 [1,1,0,0,0,0|0,0,1]=3 36 B7R1.4 CC1OCCC1=O HY-W010608 [1,1,0,0,0,0|0,0,2]=4 37 B7R1.4 NN1CCOC1=O HY-W012982 [1,1,0,0,0,0|1,0,0]=3 38 B7R1.14 O=S1(=O)CCCO1 HY-W010479 [1,1,0,0,0,0|1,0,0]=3 39 B9R1.69 NC1CCC(=O)NC1=O HY-34590 [0,1,0,0,0,1|2,0,0]=4 40 B9R1.132 COC1=C(Br)C(=O)CC1 HY-42858 [0,2,0,0,0,0|1,0,1]=4 41 B7R1.3 CC1=CCCCC1 HY-W004338 [0,0,1,1,0,0|2,0,0]=4 42 B5R0.5 CC(N)[13C](=O)O HY-N2362S [0,0,1,0,1,0|2,0,0]=4 43 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [0,0,1,0,1,0|2,0,0]=4 44 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [0,0,1,0,1,0|2,0,0]=4 45 B5R0.5 C[C@H](N)C(N)=O HY-75326 [0,0,1,0,1,0|2,0,0]=4 46 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [0,0,1,0,1,0|2,0,0]=4 47 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [0,0,1,0,1,0|2,0,0]=4 48 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [0,0,1,0,1,0|2,0,0]=4 49 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [0,0,1,0,1,0|2,0,0]=4 50 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [0,0,1,0,1,0|2,0,0]=4 51 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [0,0,1,0,1,0|2,0,0]=4 52 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [0,0,1,0,1,0|2,0,0]=4 53 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [0,0,1,0,1,0|2,0,0]=4 54 B5R1.2 C[C@H]1CCN1 HY-35279 [1,0,0,0,1,0|1,0,0]=3