0 B14R1.3 C#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 M26028 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.3 COc1ccc(OC(C)C(=O)[O-])cc1 M28055 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.3 COc1ccc(CCC(C)=O)cc1 M22648 [1,0,0,0,0,0|1,0,1]=3 3 B13R1.3 COc1ccc(\C=C\C(=O)O)cc1 M20610 [1,0,0,0,0,0|0,0,1]=2 4 B13R1.5 C=CC(=O)Nc1ccc(OC)cc1 M28407 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O M15837 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O M15242 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O M23631 [1,0,0,0,0,0|1,0,1]=3 8 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(=O)O M28352 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O M29133 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O M23404 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.133 N[C@H](Cc1ccc(O)cc1)C(=O)O M22478 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.133 O=C(O)C(=O)Cc1ccc(O)cc1 M19693 [1,0,0,0,0,0|0,0,0]=1 13 B13R1.133 O=C(O)C(O)Cc1ccc(O)cc1 M29624 [1,0,0,0,0,0|0,0,2]=3 14 B13R1.133 O=C(O)[C@@H](O)Cc1ccc(O)cc1 M28240 [1,0,0,0,0,0|0,0,2]=3 15 B13R1.133 O=C(O)\C(S)=C\C1=CC=C(I)C=C1 M12710 [1,0,0,0,0,0|1,1,1]=4 16 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 M18780 [2,0,0,0,0,0|1,0,1]=4 17 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 M23850 [2,0,0,0,0,0|0,0,1]=3 18 B12R1.21 O=C(O)CCc1ccc(O)cc1 M18668 [2,0,0,0,0,0|0,0,1]=3 19 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 M14694 [2,0,0,0,0,0|0,0,1]=3 20 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 M19059 [2,0,0,0,0,0|0,0,1]=3 21 B12R1.4 COc1ccc(CC(=O)O)cc1 M20229 [2,0,0,0,0,0|0,0,0]=2 22 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O M15427 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O M15568 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.43 O=C(O)C(=O)Cc1ccccc1 M20034 [2,0,0,0,0,0|0,0,0]=2 25 B12R1.43 O=C(O)C(O)Cc1ccccc1 M19335 [2,0,0,0,0,0|0,0,2]=4 26 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 M20030 [2,0,0,0,0,0|0,0,2]=4 27 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 M19976 [2,0,0,0,0,0|0,0,2]=4 28 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 M19939 [2,0,0,0,0,0|0,0,1]=3 29 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O M28293 [2,0,0,0,0,0|1,0,1]=4 30 B14R1.3653 COC1=C(O)C=C(\C=C\C(=O)O)C=C1 M14916 [1,1,0,0,0,0|0,0,1]=3 31 B14R1.536 N#C\C(=C/c1ccc(O)cc1)C(=O)O M20831 [1,1,0,0,0,0|1,0,1]=4 32 B14R1.686 NC(CC1=CC=C(O)C(O)=C1)C(=O)O M24651 [1,1,0,0,0,0|1,0,1]=4 33 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O M15230 [1,1,0,0,0,0|1,0,1]=4 34 B14R1.686 N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O M20026 [1,1,0,0,0,0|1,0,1]=4 35 B14R1.686 N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O M20288 [1,1,0,0,0,0|1,0,1]=4 36 B14R1.686 O=C(O)[C@H](O)Cc1ccc(O)c(O)c1 M19093 [1,1,0,0,0,0|0,0,2]=4 37 B14R1.7626 CC(N)(Cc1ccc(O)cc1)C(=O)O M27312 [1,1,0,0,0,0|1,0,1]=4 38 B14R1.7626 C[C@](N)(CC1=CC=C(O)C=C1)C(=O)O M24683 [1,1,0,0,0,0|1,0,1]=4 39 B14R2.134 COc1ccc2ccc(=O)oc2c1 M18747 [1,0,0,1,0,0|0,0,1]=3 40 B16R2.7486 COC1=CC2=C(C=C1)C=C(C(=O)O)C=C2 M13723 [0,1,0,1,0,0|1,0,1]=4 41 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 M23386 [1,0,0,0,1,0|2,0,0]=4 42 B12R1.5 COc1ccc(C(=O)CBr)cc1 M20862 [1,0,0,0,1,0|1,0,1]=4 43 B12R1.20 N[C@H](C(=O)O)c1ccc(O)cc1 M19593 [1,0,0,0,1,0|1,0,1]=4 44 B12R1.20 O=C(O)C(O)c1ccc(O)cc1 M20044 [1,0,0,0,1,0|0,0,2]=4