0 B14R1.160 CC(=O)COC(=O)C1=C(N)C=CC=C1 A12001 [0,0,0,0,0,0|3,0,0]=3 1 B14R1.160 CC(=O)O\N=C(\C)C1=C(O)C=CC=C1 W12758 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.160 O=C(O)CCC(=O)C1=C(F)C=CC=C1 AB3820 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.160 O=C(O)CNC(=O)C1=C(Cl)C=CC=C1 A11069 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.45 CC(C)CCC(=O)C1=CC=CC=C1 Y11605 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.45 C[C@H](O)COC(=O)C1=CC=CC=C1 D93462 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 E72702 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 E72703 [1,0,0,0,0,0|1,0,1]=3 8 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 Y10513 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 D81437 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.158 O=C(O)CCCC1=C(Br)C=CC=C1 29554 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.158 O=C(O)CCNC1=C(I)C=CC=C1 C90469 [1,0,0,0,0,0|2,0,0]=3 12 B13R1.158 O=C(O)CCOC1=C(Cl)C=CC=C1 W12416 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.158 O=C(O)CCOC1=C(F)C=CC=C1 30855 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.674 CCCCC(=O)C1=C(F)C=CC=C1 N13949 [1,0,0,0,0,0|2,0,1]=4 15 B15R1.5793 NC1=C(C(=O)C[C@H](N)C(=O)O)C=CC=C1 C10551 [0,1,0,0,0,0|1,0,0]=2 16 B15R1.5793 NC1=C(C(=O)C[C@H](N)C(=O)O)C=CC=C1 D86787 [0,1,0,0,0,0|1,0,0]=2 17 B15R1.5793 NC1=C(C(=O)C[C@H](N)C(=O)O)C=CC=C1 D95473 [0,1,0,0,0,0|1,0,0]=2 18 B15R1.5815 COC(=O)CCC(=O)C1=C(F)C=CC=C1 AB10158 [0,1,0,0,0,0|1,0,0]=2 19 B15R1.8420 CC1=CC(C(=O)CCC(=O)O)=C(C)C=C1 W18703 [0,1,0,0,0,0|1,0,0]=2 20 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=N2 S11235 [0,0,0,1,0,0|3,0,0]=4 21 B15R2.629 O=C(O)CN1CC2=C(C=CC=C2)C1=O C15725 [0,0,0,1,0,0|2,0,0]=3 22 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)N1 C14645 [0,0,0,1,0,0|1,0,2]=4 23 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)N1 AC6743 [0,0,0,1,0,0|2,0,1]=4 24 B15R2.14951 O=C1C[C@@H](C(=O)O)CC2=C1C=CC=C2 F51139 [0,0,0,1,0,0|1,0,0]=2 25 B15R2.14951 O=C1C[C@@H](C(=O)O)OC2=C1C=CC=C2 D78741 [0,0,0,1,0,0|0,0,0]=1 26 B13R1.201 CC(=O)NC(=O)C1=C(O)C=CC=C1 28028 [0,0,0,0,1,0|2,0,0]=3 27 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 23591 [0,0,0,0,1,0|2,0,1]=4 28 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 A50482 [0,0,0,0,1,0|2,0,1]=4 29 B13R1.201 C[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 F30270 [0,0,0,0,1,0|2,0,1]=4 30 B13R1.201 N[C@@H](CC(=O)O)C1=C(Br)C=CC=C1 A50424 [0,0,0,0,1,0|2,0,1]=4 31 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 58172 [0,0,0,0,1,0|2,0,1]=4 32 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 58173 [0,0,0,0,1,0|2,0,1]=4 33 B13R1.201 N[C@@H](CC(=O)O)C1=C(F)C=CC=C1 77804 [0,0,0,0,1,0|2,0,1]=4 34 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 T71019 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.30 O=C(CCCO)C1=CN=CC=C1 W11994 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 C76338 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [2,0,0,0,0,0|1,0,1]=4 39 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.308 N#CCC(=O)C1=C(O)C=CC=C1 AC8189 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 AC7173 [2,0,0,0,0,0|2,0,0]=4 42 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(Cl)=C1 AB8927 [1,1,0,0,0,0|0,0,0]=2 43 B14R1.678 C=C(CCC(=O)O)C1=CC=C(C)C=C1 D94332 [1,1,0,0,0,0|1,0,0]=3 44 B14R1.678 CC1=CC=C([C@@H](N)CCC(=O)O)C=C1 N10764 [1,1,0,0,0,0|1,0,1]=4 45 B14R1.678 O=C(O)CCC(=O)C1=CC=C(O)C=C1 F31366 [1,1,0,0,0,0|0,0,0]=2 46 B14R1.161 N[C@@H](CCC1=C(O)C=CC=C1)C(=O)O W18942 [1,1,0,0,0,0|0,0,1]=3 47 B14R1.337 CC1=C(C[C@@H](N)CC(=O)O)C=CC=C1 77784 [1,1,0,0,0,0|1,0,1]=4 48 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Br)C=CC=C1 FD10080 [1,1,0,0,0,0|1,0,1]=4 49 B14R1.4464 O=C(O)CCCC1=C(Cl)C=C(Cl)C=C1 C76385 [1,1,0,0,0,0|1,0,1]=4 50 B14R1.4464 O=C(O)CCCC1=C(F)C=C(F)C=C1 20760 [1,1,0,0,0,0|1,0,1]=4 51 B14R1.939 COC1=C(C(=O)CCC#N)C=CC=C1 W12109 [1,1,0,0,0,0|1,0,1]=4 52 B14R1.840 COC1=C([C@@H](N)CC(=O)O)C=CC=C1 Y11719 [0,1,0,0,1,0|1,0,1]=4 53 B14R1.6048 N[C@@H](CC(=O)O)C1=C(O)C=C(O)C=C1 32071 [0,1,0,0,1,0|1,0,1]=4 54 B16R1.7413 C[C@H](NC(=O)NC1=C(Cl)C=CC=C1)C(=O)O AR3188 [0,1,0,0,0,1|2,0,0]=4 55 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(Br)C=CC=C1 C71148 [0,2,0,0,0,0|1,0,1]=4 56 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(C)C=CC=C1 C71157 [0,2,0,0,0,0|1,0,1]=4 57 B16R1.7441 COC(=O)CCC(=O)C1=C(F)C=CC(F)=C1 AB10290 [0,2,0,0,0,0|1,0,0]=3 58 B14R1.4450 O=C(O)CN1C=CC=C(C(=O)O)C1=O W12529 [0,0,1,1,0,0|2,0,0]=4 59 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 P10220 [1,0,0,1,0,0|1,0,0]=3 60 B14R2.25733 O=C1O[C@@H](C(=O)O)C2=C1C=CC=C2 D87638 [1,0,0,1,0,0|1,0,0]=3 61 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 24899 [1,0,0,1,0,0|1,0,1]=4 62 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)O1 25903 [1,0,0,1,0,0|0,0,1]=3 63 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)S1 C76425 [1,0,0,1,0,0|0,1,1]=4 64 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 66619 [1,0,0,1,0,0|1,0,1]=4 65 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 66629 [1,0,0,1,0,0|1,0,1]=4 66 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 50355 [1,0,0,1,0,0|0,0,1]=3 67 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 60392 [1,0,0,1,0,0|1,0,0]=3 68 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)C1 34030 [1,0,0,1,0,0|1,0,1]=4 69 B14R2.5443 O=C(O)C1CC1C2=C(Br)C=CC=C2 Y10099 [1,0,0,1,0,0|1,0,1]=4 70 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=C(Cl)C=CC=C2 AC9714 [1,0,0,1,0,0|1,0,1]=4 71 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=C(F)C=CC=C2 AC9747 [1,0,0,1,0,0|1,0,1]=4 72 B14R2.8032 O=C(O)[C@@H]1CCC2=C(Br)C=CC=C21 D84859 [1,0,0,1,0,0|1,0,1]=4 73 B14R2.8051 O=C1C=CC(=O)C2=C(O)C=CC=C12 F17689 [1,0,0,1,0,0|0,0,2]=4 74 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)O1 C76764 [0,0,0,1,1,0|1,0,1]=4 75 B16R2.477 O=C(O)CCC1=CC2=CC=CC=C2N=C1 W13665 [0,0,0,1,0,1|2,0,0]=4 76 B16R2.3989 O=C(O)C[C@@H]1SC2=C(C=CC=C2)NC1=O T72730 [0,0,0,1,0,1|0,1,0]=3 77 B16R2.3989 O=C(O)C[C@H]1CC2=C(C=CC=C2)NC1=O AR3026 [0,0,0,1,0,1|1,0,0]=3 78 B16R2.81677 CC(=O)N1CCC(=O)C2=C(C=CC=C2)C1 W14972 [0,0,0,1,0,1|2,0,0]=4 79 B16R2.83538 O=C(O)CN1C=CC2=C(C=CC=C2)C1=O C75761 [0,1,0,1,0,0|2,0,0]=4 80 B16R2.12 C[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O AC4423 [0,1,0,1,0,0|2,0,0]=4 81 B16R2.12 N[C@@H](CC1=CSC2=C1C=CC=C2)C(=O)O F12293 [0,1,0,1,0,0|1,1,0]=4 82 B16R2.14 COC(=O)CCC1=CNC2=C1C=CC=C2 C75599 [0,1,0,1,0,0|2,0,0]=4 83 B16R2.33887 COC(=O)C1=CC(=O)C2=C(C=CC=C2)O1 AC4956 [0,1,0,1,0,0|0,0,2]=4 84 B16R2.133406 O=C(O)C1=CC(=O)C2=C(C=C(Br)C=C2)O1 W18978 [0,1,0,1,0,0|0,0,2]=4 85 B16R2.133406 O=C(O)C1=CC(=O)C2=C(C=C(F)C=C2)O1 C72176 [0,1,0,1,0,0|0,0,2]=4 86 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O AC6721 [0,1,0,1,0,0|2,0,0]=4 87 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(F)C=C2 W14706 [0,1,0,1,0,0|2,0,0]=4 88 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 C74093 [1,0,0,0,1,0|2,0,0]=4 89 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [1,0,0,0,1,0|1,0,1]=4 90 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [1,0,0,0,1,0|1,0,1]=4 91 B12R1.107 NN(CC(=O)O)C1=CC=CC=C1 27905 [1,0,0,0,1,0|2,0,0]=4 92 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 O12077 [1,0,0,0,1,0|0,0,1]=3 93 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [1,0,0,0,1,0|2,0,0]=4 94 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 72353 [1,0,0,0,1,0|2,0,0]=4 95 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 97407 [1,0,0,0,1,0|2,0,0]=4 96 B12R1.125 CC1=C(CCC(=O)O)C=NC=C1 72576 [1,0,0,0,1,0|2,0,0]=4 97 B12R1.125 CC1=CC=CN=C1CCC(=O)O 72065 [1,0,0,0,1,0|2,0,0]=4 98 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 E70332 [1,0,0,0,1,0|2,0,0]=4 99 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 Y10677 [0,0,0,0,2,0|1,0,1]=4 100 B12R1.124 O=C(O)C(=O)C1=C(Cl)C=CC=C1 AB11009 [0,0,0,0,2,0|1,0,0]=3 101 B12R1.124 O=C(O)C(=O)C1=C(F)C=CC=C1 AB7290 [0,0,0,0,2,0|1,0,0]=3 102 B14R1.420 C=C(CCCC(=O)O)C1=CC=CC=C1 D94335 [1,0,0,0,0,1|1,0,0]=3 103 B14R1.420 N[C@@H](CCCC(=O)O)C1=CC=CC=C1 Y10467 [1,0,0,0,0,1|1,0,1]=4