0 B14R1.686 NC(CC1=CC=C(F)C(F)=C1)C(=O)O 4657-3-X3 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 4757-3-17 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.686 N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)O 4657-1-S9 [0,0,0,0,0,0|0,0,0]=0 3 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O 2721-9-X3 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 4757-1-36 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 4757-1-35 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 4757-3-04 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 4757-9-02 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 4657-5-S1 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 4757-3-14 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 4657-H-S1 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 4757-1-X2 [1,0,0,0,0,0|0,0,0]=1 12 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 4657-5-R1 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O 4657-3-X0 [1,0,0,0,0,0|1,0,0]=2 14 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(Br)C=C1 2629-9-S1 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.148 CC1=CC(CC(N)C(=O)O)=CC=C1 4757-1-00 [1,0,0,0,0,0|1,0,0]=2 16 B13R1.148 NC(CC1=CC=CC(Br)=C1)C(=O)O 4657-9-0F [1,0,0,0,0,0|1,0,0]=2 17 B13R1.148 NC(CC1=CC=CC(F)=C1)C(=O)O 4757-3-06 [1,0,0,0,0,0|1,0,0]=2 18 B13R1.148 N[C@@H](CC1=CC(Br)=CC=C1)C(=O)O 4757-9-S1 [1,0,0,0,0,0|1,0,0]=2 19 B13R1.148 N[C@@H](CC1=CC(F)=CC=C1)C(=O)O 4757-3-13 [1,0,0,0,0,0|1,0,0]=2 20 B13R1.148 N[C@H](CC1=CC(Br)=CC=C1)C(=O)O 4657-9-R0 [1,0,0,0,0,0|1,0,0]=2 21 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1C 2721-1-21 [1,0,0,0,0,0|2,0,0]=3 22 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1F 2721-3-61 [1,0,0,0,0,0|2,0,0]=3 23 B13R1.511 O=C(O)CCC1=CC(F)=C(F)C=C1 2721-3-X0 [1,0,0,0,0,0|2,0,0]=3 24 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(Cl)=C1 2721-5-10 [1,0,0,0,0,0|2,0,0]=3 25 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(F)=C1 2621-7-38 [1,0,0,0,0,0|2,0,0]=3 26 B13R1.511 O=C(O)CCC1=CC=C(F)C(Cl)=C1 2621-7-33 [1,0,0,0,0,0|2,0,0]=3 27 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 2929-1-05 [1,0,0,0,0,0|0,0,2]=3 28 B15R1.28955 NC(CC1=CC(F)=C(F)C(F)=C1)C(=O)O 4657-3-47 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.510 NC(C(=O)O)C1=CC(Cl)=C(F)C=C1 4657-7-X0 [0,0,0,0,1,0|2,0,0]=3 30 B13R1.510 O=C(O)C(O)C1=CC(F)=C(F)C=C1 2629-3-Z1 [0,0,0,0,1,0|3,0,0]=4 31 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 2620-1-X5 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 2721-1-42 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 6766-1-X1 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 4757-1-06 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 2721-9-07 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 2721-5-06 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 2721-3-14 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 2721-H-X2 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 2729-1-X5 [2,0,0,0,0,0|0,0,0]=2 40 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 2621-5-0B [2,0,0,0,0,0|2,0,0]=4 41 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 2621-3-01 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 2929-1-00 [2,0,0,0,0,0|0,0,2]=4 43 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 2929-1-E00 [2,0,0,0,0,0|0,0,2]=4 44 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O 2921-1-Y6 [2,0,0,0,0,0|1,0,1]=4 45 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 4H57-5-S1 [2,0,0,0,0,0|1,0,0]=3 46 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 4757-1-R0 [2,0,0,0,0,0|0,0,0]=2 47 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O 4H57-1-13 [2,0,0,0,0,0|1,0,0]=3 48 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O 4H57-5-R1 [2,0,0,0,0,0|1,0,0]=3 49 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O 4H57-5-0G [2,0,0,0,0,0|1,0,0]=3 50 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O 4H57-5-0A [2,0,0,0,0,0|1,0,0]=3 51 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O 4H57-1-W7 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.43 [C@H](N)(CC1=CC=NC=C1)C(=O)O 4H57-1-Y6 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 2721-1-03 [2,0,0,0,0,0|1,0,0]=3 54 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 4657-1-Z7 [2,0,0,0,0,0|1,0,0]=3 55 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 2721-3-13 [2,0,0,0,0,0|1,0,0]=3 56 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 2721-9-06 [2,0,0,0,0,0|1,0,0]=3 57 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 2721-5-Y0 [2,0,0,0,0,0|1,0,0]=3 58 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 2721-H-05 [2,0,0,0,0,0|1,0,0]=3 59 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 2729-1-17 [2,0,0,0,0,0|0,0,0]=2 60 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 2621-3-6R [2,0,0,0,0,0|2,0,0]=4 61 B14R1.134 COC(=O)[C@@H](C)OC1=CC=C(O)C=C1 2629-1-R6 [1,1,0,0,0,0|2,0,0]=4 62 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 4758-1-Y5 [1,1,0,0,0,0|0,0,0]=2 63 B14R1.6049 NC(CC1=C(F)C=C(F)C=C1)C(=O)O 4657-3-X2 [1,1,0,0,0,0|1,0,0]=3 64 B14R1.6049 N[C@H](CC1=C(Cl)C=C(Cl)C=C1)C(=O)O 4757-5-X3 [1,1,0,0,0,0|1,0,0]=3 65 B14R1.75 COC1=CC=CC(C[C@H](N)C(=O)O)=C1 4657-1-SF [1,1,0,0,0,0|0,0,0]=2 66 B14R1.153 NC(CC1=CC=CC(F)=C1F)C(=O)O 4657-3-10 [1,1,0,0,0,0|1,0,0]=3 67 B14R1.4257 NC(CC1=CC(F)=CC(F)=C1)C(=O)O 4657-3-X4 [1,1,0,0,0,0|1,0,0]=3 68 B14R1.4257 N[C@@H](CC1=CC(Cl)=CC(Cl)=C1)C(=O)O 4657-5-S8 [1,1,0,0,0,0|1,0,0]=3 69 B14R1.4474 NC(CC1=C(F)C=CC(F)=C1)C(=O)O 4757-3-25 [1,1,0,0,0,0|1,0,0]=3 70 B14R1.42 COC1=CC(CCC(=O)O)=CC=C1O 2729-1-13 [1,1,0,0,0,0|0,0,0]=2 71 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O 2929-1-X6 [1,1,0,0,0,0|0,0,2]=4 72 B14R1.6036 O=C(O)CCC1=C(F)C=C(F)C(F)=C1 2621-3-93 [1,1,0,0,0,0|2,0,0]=4 73 B14R1.6059 O=C(O)CCC1=CC=C(F)C(F)=C1F 2621-3-90 [1,1,0,0,0,0|2,0,0]=4 74 B14R1.15552 O=C(O)CCC1=CC(Br)=C(O)C(Br)=C1 2729-9-02 [1,1,0,0,0,0|1,0,0]=3 75 B14R1.15552 O=C(O)CCC1=CC(F)=C(F)C(F)=C1 2621-3-96 [1,1,0,0,0,0|2,0,0]=4 76 B14R1.15551 NC(C(=O)O)C1=CC(F)=C(F)C(F)=C1 4657-3-X9 [0,1,0,0,1,0|2,0,0]=4 77 B16R1.4274 COC1=CC=C(C[C@H](N)C(=O)O)C=C1OC 4657-1-ST [0,2,0,0,0,0|0,0,0]=2 78 B16R1.1058 N[C@@H](CC1=CC=C(O)C([N+](=O)[O-])=C1)C(=O)O 4755-1-20 [0,2,0,0,0,0|0,0,1]=3 79 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 4657-1-1J [1,0,0,0,1,0|2,0,0]=4 80 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 2729-1-28 [1,0,0,0,1,0|1,0,0]=3 81 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 4757-1-55 [1,0,0,0,1,0|1,0,0]=3 82 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 4657-3-74 [1,0,0,0,1,0|1,0,0]=3 83 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 4657-1-X5 [1,0,0,0,1,0|0,0,0]=2 84 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 2629-9-X6 [1,0,0,0,1,0|2,0,0]=4 85 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 2629-5-X7 [1,0,0,0,1,0|2,0,0]=4 86 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 2629-3-01 [1,0,0,0,1,0|2,0,0]=4 87 B12R1.225 NC(C(=O)O)C1=CC=CC(Br)=C1 4657-9-X0 [1,0,0,0,1,0|1,0,0]=3