0 B14R1.686 NC(=O)[C@@H](N)CC1=CC(O)=C(O)C=C1 A11536 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.686 NC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 Y14756 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.686 O=C(O)C(=O)CC1=CC(F)=C(F)C=C1 C91209 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.133 N[C@@H](CC1=CN=C(F)C=C1)C(=O)O F16922 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.133 N[C@@H](CC1=NC=C(O)C=C1)C(=O)O D76120 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(I)C=C1 95698 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.148 CC1=CC=CC(CC(=O)C(=O)O)=C1 C92166 [1,0,0,0,0,0|2,0,1]=4 7 B15R1.920 [2H]C1([2H])=C(O)C=CC(C[C@H](N)C(=O)O)=C1 D98218 [0,1,0,0,0,0|1,0,1]=3 8 B15R1.3777 COC1=C(O)C=C(C[C@H](N)C(=O)O)C=C1 F16892 [0,1,0,0,0,0|0,0,0]=1 9 B15R1.4038 N[C@@H](CC1=CC(C=O)=C(O)C=C1)C(=O)O AT18678 [0,1,0,0,0,0|0,0,1]=2 10 B15R1.4038 N[C@@H](CC1=CC(CO)=C(O)C=C1)C(=O)O AT24556 [0,1,0,0,0,0|0,0,0]=1 11 B15R1.11316 C[C@](N)(CC1=CC(F)=C(O)C=C1)C(=O)O 91674 [0,1,0,0,0,0|1,0,0]=2 12 B15R1.11316 C[C@](N)(CC1=CC(F)=C(O)C=C1)C(=O)O 91675 [0,1,0,0,0,0|1,0,0]=2 13 B15R2.18974 O=C(O)C1CC1C2=CC(F)=C(Br)C=C2 C90962 [0,0,0,1,0,0|3,0,0]=4 14 B15R2.18974 O=C(O)[C@H]1C[C@@H]1C2=CC(F)=C(Br)C=C2 C91727 [0,0,0,1,0,0|3,0,0]=4 15 B13R1.510 C[C@H](O)[C@H](N)C1=CC(F)=C(O)C=C1 N16365 [0,0,0,0,1,0|2,0,1]=4 16 B13R1.510 C[C@H](O)[C@H](N)C1=CC(O)=C(Cl)C=C1 N16354 [0,0,0,0,1,0|2,0,1]=4 17 B13R1.510 N[C@@H](C(=O)O)C1=CC(Br)=C(Cl)C=C1 Y14175 [0,0,0,0,1,0|2,0,0]=3 18 B13R1.510 N[C@@H](C(=O)O)C1=CC(Br)=C(O)C=C1 N14758 [0,0,0,0,1,0|1,0,0]=2 19 B15R1.883 CC1=C(C)C=C(C[C@@H](N)CC(=O)O)C=C1 AC4126 [0,0,0,0,0,1|2,0,0]=3 20 B15R1.883 N[C@@H](CC(=O)O)CC1=CC(Br)=C(F)C=C1 AC4125 [0,0,0,0,0,1|2,0,0]=3 21 B15R1.883 N[C@@H](CC(=O)O)CC1=CC(Cl)=C(Cl)C=C1 AC4111 [0,0,0,0,0,1|2,0,0]=3 22 B15R1.883 N[C@@H](CC(=O)O)CC1=CC(Cl)=C(F)C=C1 AC3988 [0,0,0,0,0,1|2,0,0]=3 23 B15R1.883 N[C@@H](CC(=O)O)CC1=CC(F)=C(F)C=C1 AC3980 [0,0,0,0,0,1|2,0,0]=3 24 B12R1.43 N[13C@@H](CC1=CC=CC=C1)C(=O)O D98682 [2,0,0,0,0,0|0,0,0]=2 25 B12R1.43 N[C@@H](CC1=NN=CC=C1)C(=O)O Y14572 [2,0,0,0,0,0|2,0,0]=4 26 B14R1.3 CSC1=CC=C(C[C@H](N)C(=O)O)C=C1 D74869 [1,1,0,0,0,0|0,1,0]=3 27 B14R1.3 N[C@@H](CC1=CC=C(CO)C=C1)C(=O)O A11473 [1,1,0,0,0,0|0,0,0]=2 28 B14R1.3 N[C@@H](CC1=CC=C(CO)C=C1)C(=O)O N14380 [1,1,0,0,0,0|0,0,0]=2 29 B14R1.6049 NC1=C(C[C@H](N)C(=O)O)C=CC(F)=C1 Y11484 [1,1,0,0,0,0|1,0,0]=3 30 B14R1.6049 O=C(O)[C@@H](O)CC1=C(Cl)C=C(Cl)C=C1 D75513 [1,1,0,0,0,0|2,0,0]=4 31 B14R1.153 N[C@@H](CC1=CC=CC(Cl)=C1Cl)C(=O)O E72748 [1,1,0,0,0,0|1,0,0]=3 32 B14R1.4257 N[C@@H](CC1=CC(O)=CC(O)=C1)C(=O)O N14722 [1,1,0,0,0,0|0,0,0]=2 33 B14R1.4474 N[C@@H](CC1=C(Cl)C=CC(O)=C1)C(=O)O AT15819 [1,1,0,0,0,0|0,0,0]=2 34 B14R1.42 COC1=C(Br)C=CC(CCC(=O)O)=C1 C90969 [1,1,0,0,0,0|1,0,0]=3 35 B14R1.685 N[C@@H](CC(=O)O)C1=CC(Cl)=C(Cl)C=C1 D96418 [1,1,0,0,0,0|2,0,0]=4 36 B14R1.3652 COC1=C(O)C=C([C@@H](O)C(=O)O)C=C1 D73864 [0,1,0,0,1,0|1,0,0]=3 37 B16R1.4286 COC1=C(F)C=C(C[C@@H](N)CC(=O)O)C=C1 AC4014 [0,1,0,0,0,1|1,0,0]=3 38 B16R1.11361 N[C@@H](CC(=O)O)CC1=CC(F)=C(F)C=C1F AC3656 [0,1,0,0,0,1|2,0,0]=4 39 B16R1.11361 N[C@@H](CC(=O)O)CC1=CC(F)=C(F)C=C1F AC5062 [0,1,0,0,0,1|2,0,0]=4 40 B14R2.4402 CC1=CC=C([C@H]2C[C@@H]2C(=O)O)C=C1 AC9626 [1,0,0,1,0,0|2,0,0]=4 41 B14R2.4402 CC1=CC=C([C@H]2C[C@@H]2C(=O)O)C=C1 AC9675 [1,0,0,1,0,0|2,0,0]=4 42 B14R2.4402 CC1=CC=C([C@H]2C[C@H]2C(=O)O)C=C1 AT22295 [1,0,0,1,0,0|2,0,0]=4 43 B14R2.4402 NC1=CC=C([C@H]2C[C@H]2C(=O)O)C=C1 AT22288 [1,0,0,1,0,0|2,0,0]=4 44 B14R2.4402 O=C(O)[C@@H]1C[C@@H]1C2=CC=C(Br)C=C2 AT22286 [1,0,0,1,0,0|2,0,0]=4 45 B14R2.4402 O=C(O)[C@@H]1C[C@@H]1C2=CC=C(Cl)C=C2 AT22284 [1,0,0,1,0,0|2,0,0]=4 46 B14R2.4402 O=C(O)[C@@H]1C[C@@H]1C2=CC=C(F)C=C2 AT22282 [1,0,0,1,0,0|2,0,0]=4 47 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(F)C=C2 96592 [1,0,0,1,0,0|2,0,0]=4 48 B14R2.4476 CC1=CC=CC([C@H]2C[C@H]2C(=O)O)=C1 AT22296 [1,0,0,1,0,0|2,0,0]=4 49 B14R2.4476 NC1=CC=CC([C@H]2C[C@H]2C(=O)O)=C1 AT22287 [1,0,0,1,0,0|2,0,0]=4 50 B14R2.4476 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC(Br)=C2 AT22285 [1,0,0,1,0,0|2,0,0]=4 51 B14R2.4476 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC(Cl)=C2 AT22283 [1,0,0,1,0,0|2,0,0]=4 52 B14R2.4476 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC(F)=C2 AT22281 [1,0,0,1,0,0|2,0,0]=4 53 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(Br)=C2 AC8132 [1,0,0,1,0,0|2,0,0]=4 54 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(Cl)=C2 58113 [1,0,0,1,0,0|2,0,0]=4 55 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(F)=C2 AC8127 [1,0,0,1,0,0|2,0,0]=4 56 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(F)=C2 AC9143 [1,0,0,1,0,0|2,0,0]=4 57 B14R2.7969 O=C(O)[C@H]1CC2=CC=CC(Br)=C2C1 AT10112 [1,0,0,1,0,0|2,0,0]=4 58 B16R2.23772 CN1C(C(=O)O)=CC2=C1C=C(O)C(O)=C2 D84337 [0,1,0,1,0,0|0,0,2]=4 59 B16R2.1933 COC1=CC2=C(C=C1O)C=C(C(=O)O)N2 D85394 [0,1,0,1,0,0|0,0,2]=4 60 B16R2.1933 COC1=CC2=C(C=C1O)NC(C(=O)O)=C2 D85393 [0,1,0,1,0,0|0,0,2]=4 61 B16R2.50544 COC1=C(F)C=C([C@H]2C[C@@H]2C(=O)O)C=C1 58137 [0,1,0,1,0,0|2,0,0]=4 62 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 Y11047 [1,0,0,0,1,0|2,0,0]=4 63 B12R1.20 CC1=CC=C([C@@H](F)C(=O)O)C=C1 AC9335 [1,0,0,0,1,0|2,0,0]=4 64 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D85983 [1,0,0,0,1,0|2,0,0]=4 65 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D86053 [1,0,0,0,1,0|2,0,0]=4 66 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D87730 [1,0,0,0,1,0|2,0,0]=4 67 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(O)C=C1 N15679 [1,0,0,0,1,0|1,0,1]=4 68 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 N14372 [1,0,0,0,1,0|1,0,0]=3 69 B12R1.104 CC1=CC=C(C[C@H](N)C(=O)O)O1 D74836 [1,0,0,0,1,0|2,0,0]=4 70 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(Br)=C1 D85232 [1,0,0,0,1,0|2,0,0]=4 71 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(Cl)=C1 D85234 [1,0,0,0,1,0|2,0,0]=4 72 B12R1.225 CC(=O)[C@H](N)C1=CC=CC(F)=C1 D85231 [1,0,0,0,1,0|2,0,0]=4 73 B12R1.225 CC(O)C(N)C1=CC=CC(O)=C1 D85238 [1,0,0,0,1,0|1,0,1]=4 74 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(O)=C1 N15623 [1,0,0,0,1,0|1,0,1]=4 75 B12R1.225 NC1=CC=CC([C@@H](N)C(=O)O)=C1 C77056 [1,0,0,0,1,0|1,0,0]=3 76 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 AC6182 [1,0,0,0,0,1|1,0,0]=3 77 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 AC3569 [1,0,0,0,0,1|1,0,0]=3 78 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(F)C=C1 AC6608 [1,0,0,0,0,1|1,0,0]=3 79 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(I)C=C1 AC4113 [1,0,0,0,0,1|1,0,0]=3 80 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(O)C=C1 FD10308 [1,0,0,0,0,1|0,0,0]=2 81 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC(O)=CC=C1 AC3985 [1,0,0,0,0,1|0,0,0]=2 82 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Br)=C1 AC7261 [1,0,0,0,0,1|1,0,0]=3 83 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Cl)=C1 AC3585 [1,0,0,0,0,1|1,0,0]=3 84 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(F)=C1 AC3118 [1,0,0,0,0,1|1,0,0]=3 85 B14R1.687 CC1=C(F)C=CC(CCCC(=O)O)=C1 75927 [1,0,0,0,0,1|2,0,0]=4