0 B12R1.43 C=C(C)C(=O)OC1=CC=CC=C1 HY-W017213 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.43 N[13C@@H]([13CH2][13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1)[13C](=O)O HY-N0215S10 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.43 N[13CH](CC1=CC=CC=C1)C(=O)O HY-B1732S3 [0,0,0,0,0,0|1,0,1]=2 3 B12R1.43 N[C@@H]([13CH2]C1=CC=CC=C1)C(=O)O HY-N0215S7 [0,0,0,0,0,0|1,0,1]=2 4 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 HY-30220 [0,0,0,0,0,0|0,0,2]=2 5 B12R1.43 [15NH2][13C@H]([13CH2][13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1)[13C](=O)O HY-N0215S11 [0,0,0,0,0,0|1,0,1]=2 6 B12R1.43 [C@H](N)(CC1=CN=CC=C1)C(=O)O HY-W017150 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.91 CC(=O)OCC1=CC=CC=C1 HY-N7124 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HY-W012595 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.133 N[13C@@H](CC1=CC=C(O)C=C1)C(=O)O HY-N0473S4 [0,1,0,0,0,0|1,0,1]=3 10 B13R1.133 N[13C@@H]([13CH2][13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1)[13C](=O)O HY-N0473S3 [0,1,0,0,0,0|1,0,1]=3 11 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O HY-W011472 [0,1,0,0,0,0|1,0,1]=3 12 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 HY-136593 [0,1,0,0,0,0|0,0,2]=3 13 B13R1.133 [15NH2][13C@@H]([13CH2][13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1)[13C](=O)O HY-Y0123S [0,1,0,0,0,0|1,0,1]=3 14 B13R1.135 O=C(CC1=CC=CC=C1)C(=O)O[Na] HY-W016203 [0,1,0,0,0,0|0,0,0]=1 15 B13R1.148 NC(CC1=CC=CC(Br)=C1)C(=O)O HY-W003225 [0,1,0,0,0,0|1,0,1]=3 16 B13R1.148 [C@H](N)(CC1=CC(Cl)=CC=C1)C(=O)O HY-W012487 [0,1,0,0,0,0|1,0,1]=3 17 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O HY-N2378 [0,1,0,0,0,0|0,0,2]=3 18 B13R1.152 N[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 HY-W142083 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.202 [C@H](N)(CC1=CC=CC=C1C)C(=O)O HY-W016555 [0,1,0,0,0,0|1,0,1]=3 20 B13R1.418 NO[C@@H](CC1=CC=CC=C1)C(=O)O HY-134230 [0,1,0,0,0,0|0,0,2]=3 21 B13R1.418 O=C(O)\C(CC1=CC=CC=C1)=N/O HY-121687 [0,1,0,0,0,0|0,0,1]=2 22 B13R2.369 OC1=C(O)N=C2C=CC=CC2=N1 HY-20803 [0,0,0,1,0,0|2,0,1]=4 23 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CN=C2 HY-W063971 [0,0,0,1,0,0|2,0,1]=4 24 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O HY-W051568 [0,0,0,0,1,0|2,0,1]=4 25 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O HY-I0423 [0,0,0,0,1,0|2,0,1]=4 26 B13R1.348 [C@@H](N)(CC(=O)O)CC1=CC=CC=C1 HY-W012451 [0,0,0,0,0,1|1,0,1]=3 27 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O HY-W020826 [0,0,0,0,0,1|1,0,1]=3 28 B10R1.17 OC\C=C\C1=CC=CC=C1 HY-Y0078R [2,0,0,0,0,0|0,0,2]=4 29 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HY-N1426 [1,1,0,0,0,0|1,0,1]=4 30 B12R1.21 NC(=O)\C=C\C1=CC=C(O)C=C1 HY-N1901 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.21 O=C(O)\C=C/C1=CC=C(O)C=C1 HY-N0351A [1,1,0,0,0,0|0,0,1]=3 32 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HY-W011200 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 HY-W042008 [0,1,0,0,1,0|1,0,1]=4 34 B12R1.225 NC(C(=O)O)C1=CC=CC(O)=C1 HY-100841 [0,1,0,0,1,0|1,0,1]=4 35 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O HY-W140465 [0,1,0,0,0,1|1,0,1]=4 36 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 HY-W009912 [0,2,0,0,0,0|1,0,1]=4 37 B14R1.686 NC(CC1=CC(F)=C(F)C=C1)C(=O)O HY-79171 [0,2,0,0,0,0|1,0,1]=4 38 B14R1.686 O=C(O)[C@H](O)CC1=CC(O)=C(O)C=C1 HY-N1913 [0,2,0,0,0,0|0,0,2]=4 39 B14R1.75 N#CC1=CC(C[C@H](N)C(=O)O)=CC=C1 HY-W015177 [0,2,0,0,0,0|1,0,1]=4 40 B14R1.6306 [2H]C([2H])(C1=CC=CC=C1)[C@H](N)C(=O)O HY-N0215S3 [0,2,0,0,0,0|1,0,1]=4 41 B12R2.24 O=C1C=CC2=CC=CC=C2N1 HY-W005598 [1,0,0,1,0,0|2,0,0]=4 42 B12R2.24 O=C1C=CC2=CC=CC=C2O1 HY-N0709R [1,0,0,1,0,0|2,0,0]=4 43 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 HY-W007664 [0,0,0,1,0,1|1,0,1]=4 44 B10R1.15 O=C(CO)C1=CC=CC=C1 HY-W002198 [1,0,0,0,1,0|0,0,1]=3 45 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 HY-W015061R [0,0,0,0,0,2|0,0,0]=2