0 B5R0.3 CCC(O)CC HY-W087988 [1,0,0,0,0,0|0,0,1]=2 1 B5R0.3 CC[C@H](C)CO HY-W093104 [1,0,0,0,0,0|0,0,2]=3 2 B5R0.3 CC[PH](=O)CC HY-W094280 [1,0,0,0,0,0|1,0,0]=2 3 B5R0.3 OCC(Cl)CO HY-W585827 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.3 OCC(O)CS HY-W010572 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.3 OC[13CH](O)CO HY-B1659S2 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.3 O[13CH2]C(O)[13CH2]O HY-B1659S4 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.3 O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.1 O=CN1CCCC1 HY-W102648 [0,0,0,1,0,0|1,0,0]=2 9 B7R1.1 O=NN1CCCC1 HY-W141077 [0,0,0,1,0,0|2,0,0]=3 10 B7R1.1 [C@H]1(CN)CCCO1 HY-W010601 [0,0,0,1,0,0|2,0,1]=4 11 B4R0.1 CC(=O)CN HY-W004850 [2,0,0,0,0,0|1,0,1]=4 12 B4R0.1 C[C@H](N)CO HY-Y0837 [2,0,0,0,0,0|2,0,0]=4 13 B4R0.1 C[C@H](O)CO HY-79334 [2,0,0,0,0,0|1,0,1]=4 14 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [2,0,0,0,0,0|1,0,1]=4 15 B4R0.2 CCCNC HY-W250110E [2,0,0,0,0,0|1,0,0]=3 16 B4R0.2 CCCNC HY-W250110I [2,0,0,0,0,0|1,0,0]=3 17 B6R0.1 C\C=N\N(C)C=O HY-W762013 [1,1,0,0,0,0|1,0,1]=4 18 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [1,1,0,0,0,0|0,0,2]=4 19 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [1,1,0,0,0,0|2,0,0]=4 20 B6R0.3 CCC(=O)C(C)=O HY-W012998R [1,1,0,0,0,0|0,0,2]=4 21 B6R0.3 CCC(Br)C(=O)O HY-W015333 [1,1,0,0,0,0|1,0,0]=3 22 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [1,1,0,0,0,0|1,0,0]=3 23 B6R0.3 CNC(C)C(=O)O HY-W010591 [1,1,0,0,0,0|1,0,0]=3 24 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [1,1,0,0,0,0|2,0,0]=4 25 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [1,1,0,0,0,0|2,0,0]=4 26 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [1,1,0,0,0,0|2,0,0]=4 27 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [1,1,0,0,0,0|2,0,0]=4 28 B8R0.20 CCN(CC)N(O)N=O HY-131925 [0,2,0,0,0,0|2,0,0]=4 29 B8R0.18 CN[C@H](C(=O)O)C(C)C HY-20561 [0,2,0,0,0,0|1,0,0]=3 30 B6R1.2 [C@H]1(F)CCNC1 HY-W004695 [1,0,0,1,0,0|2,0,0]=4 31 B6R1.6 OC[C@H]1CCN1 HY-W061628 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.2 O=NN1CCOCC1 HY-131123 [0,1,0,1,0,0|2,0,0]=4 33 B8R1.11 CCN1CCCC1=O HY-B1620D [0,1,0,1,0,0|1,0,0]=3 34 B8R1.11 CCN1CCCC1=O HY-B1620K [0,1,0,1,0,0|1,0,0]=3 35 B8R1.7 O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [0,1,0,1,0,0|1,0,0]=3 36 B8R1.7 O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [0,1,0,1,0,0|1,0,0]=3 37 B8R1.63 COC1(C(=O)O)CC1 HY-W046704 [0,1,0,1,0,0|1,0,0]=3 38 B8R2.34 C1=CC2CCC1C2 HY-W013021 [0,0,0,2,0,0|1,0,0]=3