0 B13R1.3 CCC1=CC=C(CCC(=O)O)C=C1 2721-1-32 [1,0,0,0,0,0|1,0,1]=3 1 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 2721-1-40 [1,0,0,0,0,0|0,0,1]=2 2 B13R1.3 COC1=CC=C(CNC(N)=S)C=C1 8767-1-06 [1,0,0,0,0,0|2,1,0]=4 3 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 2921-1-Y4 [1,0,0,0,0,0|0,0,1]=2 4 B13R1.3 COC1=CC=C(\C=C\[N+](=O)[O-])C=C1 4954-1-07 [1,0,0,0,0,0|1,0,2]=4 5 B13R1.3 CSC1=CC=C(CCC(=O)O)C=C1 6766-1-02 [1,0,0,0,0,0|0,1,1]=3 6 B13R1.3 N#CC1=CC=C(\C=C\C(=O)O)C=C1 4937-1-Z8 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.5 COC1=CC=C(NC(=O)CCl)C=C1 4648-5-Y1 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O 2721-9-X3 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 4757-1-36 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 4757-1-35 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 4757-3-04 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 4757-9-02 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 4657-5-S1 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 4757-3-14 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 4657-H-S1 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 4757-1-X2 [1,0,0,0,0,0|1,0,1]=3 17 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 4657-5-R1 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O 4657-3-X0 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.133 O=C(O)C(=O)NC1=CC=C(Cl)C=N1 4H48-5-BK [1,0,0,0,0,0|3,0,0]=4 20 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(Br)C=C1 2629-9-S1 [1,0,0,0,0,0|1,0,2]=4 21 B15R1.495 O=C(O)C(=O)NC1=CC=C([N+](=O)[O-])C=C1 4656-1-54 [0,1,0,0,0,0|3,0,0]=4 22 B15R2.4834 COC1=CC=C2C=C(C(=O)O)NC2=C1 4H21-1-3S [0,0,0,1,0,0|1,0,1]=3 23 B15R2.4834 COC1=CC=C2C=C(C(=O)O)SC2=C1 6H21-1-04 [0,0,0,1,0,0|0,1,1]=3 24 B15R2.4834 COC1=CC=C2OC(C(=O)O)=CC2=C1 2H21-1-04 [0,0,0,1,0,0|2,0,0]=3 25 B15R2.4834 COC1=CC=C2SC(C(=O)O)=CC2=C1 6H21-1-03 [0,0,0,1,0,0|2,0,0]=3 26 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 4657-1-53 [0,0,0,0,1,0|1,0,1]=3 27 B13R1.36 COC1=CC=C(C(O)C(=O)O)C=C1 2629-1-25 [0,0,0,0,1,0|0,0,2]=3 28 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 2620-1-X5 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 2721-1-42 [2,0,0,0,0,0|0,0,1]=3 30 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 6766-1-X1 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 2921-1-Y5 [2,0,0,0,0,0|0,0,1]=3 32 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 4757-1-06 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 2721-9-07 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 2721-5-06 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 2721-3-14 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 2721-H-X2 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 2729-1-X5 [2,0,0,0,0,0|0,0,1]=3 38 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 2921-5-03 [2,0,0,0,0,0|1,0,1]=4 39 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 2921-3-04 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 2929-1-00 [2,0,0,0,0,0|0,0,1]=3 41 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 2929-1-E00 [2,0,0,0,0,0|0,0,1]=3 42 B12R1.71 COC1=CC=C(CCCO)C=C1 2607-1-30 [2,0,0,0,0,0|0,0,2]=4 43 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 2721-1-Y3 [2,0,0,0,0,0|0,0,0]=2 44 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 2717-1-09 [2,0,0,0,0,0|0,0,1]=3 45 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 2721-9-Y1 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 2729-1-X9 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 2729-1-29 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O 2921-1-Y6 [2,0,0,0,0,0|1,0,0]=3 49 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 4757-1-R0 [2,0,0,0,0,0|1,0,1]=4 50 B14R1.2 COC1=CC=C(C(N)CC(=O)O)C=C1 4657-1-45 [1,1,0,0,0,0|0,0,1]=3 51 B14R1.5 COC(=O)CCC1=CC=C(OC)C=C1 2623-1-0B [1,1,0,0,0,0|0,0,1]=3 52 B14R1.5 COC(=O)\C=C\C1=CC=C(OC)C=C1 2623-1-EC [1,1,0,0,0,0|0,0,1]=3 53 B14R1.5 COC1=CC=C(CNC(=O)CCl)C=C1 4758-5-X1 [1,1,0,0,0,0|2,0,0]=4 54 B14R1.142 CCOC1=CC=C(CCC(=O)O)C=C1 2721-1-31 [1,1,0,0,0,0|0,0,1]=3 55 B14R1.419 CC(C)C1=CC=C(CCC(=O)O)C=C1 2721-1-33 [1,1,0,0,0,0|1,0,1]=4 56 B14R1.419 CC(C)C1=CC=C(\C=C\C(=O)O)C=C1 2921-1-Y1 [1,1,0,0,0,0|1,0,1]=4 57 B14R1.419 CN(C)C1=CC=C(\C=C\C(=O)O)C=C1 4958-1-01 [1,1,0,0,0,0|1,0,1]=4 58 B14R1.3653 COC1=CC=C(\C=C\C(=O)O)C=C1F 2921-3-31 [1,1,0,0,0,0|0,0,1]=3 59 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 4758-1-Y5 [1,1,0,0,0,0|1,0,1]=4 60 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 4757-3-17 [1,1,0,0,0,0|1,0,1]=4 61 B14R1.686 N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)O 4657-1-S9 [1,1,0,0,0,0|1,0,1]=4 62 B16R1.219 COC(=O)\C(C#N)=C\C1=CC=C(OC)C=C1 4937-1-X7 [0,2,0,0,0,0|1,0,1]=4 63 B16R1.4274 COC1=CC=C(C[C@H](N)C(=O)O)C=C1OC 4657-1-ST [0,2,0,0,0,0|1,0,1]=4 64 B14R2.134 COC1=CC=C2C=CC(=O)OC2=C1 2H23-1-10 [1,0,0,1,0,0|0,0,1]=3 65 B14R2.134 COC1=CC=C2CCC(=O)CC2=C1 2617-1-X3 [1,0,0,1,0,0|1,0,1]=4 66 B14R2.4529 CC1=CC=C2C=C(C(=O)O)SC2=C1 6H21-1-X7 [1,0,0,1,0,0|0,1,1]=4 67 B14R2.4529 CC1=CC=C2SC(C(=O)O)=CC2=C1 6H21-1-0W [1,0,0,1,0,0|2,0,0]=4 68 B14R2.1815 COC1=CC=C2C(=O)C(=O)NC2=C1 4H56-1-9B [0,0,0,1,1,0|1,0,0]=3 69 B16R2.7604 COC(=O)C1=CC2=CC=C(OC)C=C2N1 4H58-1-ZN [0,1,0,1,0,0|1,0,1]=4 70 B16R2.7486 COC1=CC2=CC=C(C(=O)O)C=C2C=C1 2621-1-Z4 [0,1,0,1,0,0|1,0,1]=4 71 B16R2.37660 COC1=CC2=NC(O)=C(C=O)C=C2C=C1 4H15-1-42 [0,1,0,1,0,0|1,0,1]=4 72 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 2617-1-Z0 [1,0,0,0,1,0|1,0,1]=4 73 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 2620-1-20 [1,0,0,0,1,0|0,0,0]=2 74 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 2617-9-Y2 [1,0,0,0,1,0|1,0,1]=4 75 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 4656-1-49 [1,0,0,0,1,0|2,0,0]=4 76 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 2729-1-28 [1,0,0,0,1,0|1,0,1]=4 77 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 4757-1-55 [1,0,0,0,1,0|1,0,1]=4 78 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 4657-1-X5 [1,0,0,0,1,0|1,0,1]=4 79 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 2721-1-2K [1,0,0,0,0,1|1,0,1]=4 80 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C)C=C1 4748-1-0P [1,0,0,0,0,1|2,0,0]=4 81 B14R1.75 COC1=CC=CC(C[C@H](N)C(=O)O)=C1 4657-1-SF [0,0,0,0,1,1|1,0,1]=4