0 B14R1.686 O=C(O)C(=O)CC1=CC(O)=C(O)C=C1 1789AA [0,0,0,0,0,0|1,0,1]=2 1 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 1582AB [1,0,0,0,0,0|1,0,0]=2 2 B13R1.148 NC1=CC(C[C@H](N)C(=O)O)=CC=C1 8400AB [1,0,0,0,0,0|1,0,0]=2 3 B13R1.511 NC1=CC(CCC(=O)O)=CC=C1Br 2703AA [1,0,0,0,0,0|2,0,0]=3 4 B15R1.5521 COC(=O)[C@@H](N)CC1=CC=C(O)C(O)=C1 Z1685 [0,1,0,0,0,0|0,0,0]=1 5 B15R1.8394 N[C@@H](CC1=CC(O)=C(O)C=C1O)C(=O)O Y1800 [0,1,0,0,0,0|0,0,0]=1 6 B15R1.28955 NC1=CC(C[C@H](N)C(=O)O)=CC(N)=C1O 5062AC [0,1,0,0,0,0|1,0,0]=2 7 B15R1.28955 N[C@H](CC1=CC(F)=C(F)C(F)=C1)C(=O)O 3236AL [0,1,0,0,0,0|2,0,0]=3 8 B13R1.510 O=C(O)C(Br)C1=CC=C(Cl)C(Cl)=C1 1205AC [0,0,0,0,1,0|3,0,0]=4 9 B13R1.510 O=C(O)C(O)C1=CC(O)=C(O)C=C1 7789AL [0,0,0,0,1,0|1,0,0]=2 10 B15R1.883 N[C@@H](CC(=O)O)CC1=CC=C(F)C(F)=C1 2461AB [0,0,0,0,0,1|2,0,0]=3 11 B12R1.21 CC(=O)CCC1=CC=C(Br)C=C1 2246AF [2,0,0,0,0,0|2,0,0]=4 12 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6555AL [2,0,0,0,0,0|0,1,0]=3 13 B12R1.43 CC(CC1=CC=CN=C1)C(=O)O 7425AC [2,0,0,0,0,0|2,0,0]=4 14 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 4252AB [2,0,0,0,0,0|1,0,1]=4 15 B12R1.49 N[C@@H](CO)CC1=CC=C(I)C=C1 0762AB [2,0,0,0,0,0|1,0,1]=4 16 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 1144AE [2,0,0,0,0,0|2,0,0]=4 17 B14R1.3 CC(OC1=CC=C(CO)C=C1)C(=O)O 9577AE [1,1,0,0,0,0|2,0,0]=4 18 B14R1.3 NCC1=CC=C(CC(N)C(=O)O)C=C1 6946AC [1,1,0,0,0,0|1,0,0]=3 19 B14R1.132 CC1=CC=C([C@@H](N)[C@@H](O)C(=O)O)C=C1 6733AA [1,1,0,0,0,0|2,0,0]=4 20 B14R1.132 CC1=CC=C([C@H](N)[C@H](O)C(=O)O)C=C1 4052AA [1,1,0,0,0,0|2,0,0]=4 21 B14R1.132 O=C(O)C(O)C(O)C1=CC=C(O)C=C1 W2093 [1,1,0,0,0,0|1,0,0]=3 22 B14R1.134 COC(=O)C(Br)CC1=CC=C(Br)C=C1 7380AH [1,1,0,0,0,0|2,0,0]=4 23 B14R1.536 COC(CC1=CC=C(Cl)C=C1)C(=O)O 9064AB [1,1,0,0,0,0|2,0,0]=4 24 B14R1.536 NCC(CC1=CC=C(Br)C=C1)C(=O)O 1989AL [1,1,0,0,0,0|1,0,0]=3 25 B14R1.6049 CC1=CC(F)=C(C[C@H](N)C(=O)O)C=C1 8571AH [1,1,0,0,0,0|1,0,0]=3 26 B14R1.6049 NC(CC1=CC=C(O)C=C1F)C(=O)O 9429AE [1,1,0,0,0,0|0,0,0]=2 27 B14R1.6049 NC(CC1=CC=C(O)C=C1O)C(=O)O 8624AB [1,1,0,0,0,0|0,0,0]=2 28 B14R1.6049 N[C@@H](CC1=C(Cl)C=C(O)C=C1)C(=O)O 0963AC [1,1,0,0,0,0|0,0,0]=2 29 B14R1.6049 N[C@@H](CC1=C(F)C=C(Cl)C=C1)C(=O)O 9713AA [1,1,0,0,0,0|1,0,0]=3 30 B14R1.6049 N[C@@H](CC1=CC=C(O)C=C1F)C(=O)O 1720AJ [1,1,0,0,0,0|0,0,0]=2 31 B14R1.6049 N[C@@H](CC1=CC=C(O)C=C1O)C(=O)O 2219AB [1,1,0,0,0,0|0,0,0]=2 32 B14R1.7626 CC(C)(CC1=CC=C(F)C=C1)C(=O)O 0425AC [1,1,0,0,0,0|2,0,0]=4 33 B14R1.7626 C[C@@](N)(CC1=CC=C(O)C=C1)C(=O)O 0605AP [1,1,0,0,0,0|0,0,0]=2 34 B14R1.150 CC1=CC([C@@H](N)[C@@H](O)C(=O)O)=CC=C1 4064AA [1,1,0,0,0,0|2,0,0]=4 35 B14R1.150 CC1=CC([C@H](N)[C@H](O)C(=O)O)=CC=C1 6607AC [1,1,0,0,0,0|2,0,0]=4 36 B14R1.150 N[C@@H](C1=CC=CC(F)=C1)[C@H](O)C(=O)O 4009AA [1,1,0,0,0,0|2,0,0]=4 37 B14R1.150 N[C@H](C1=CC=CC(F)=C1)[C@@H](O)C(=O)O 6595AC [1,1,0,0,0,0|2,0,0]=4 38 B14R1.153 NC(CC1=CC=CC(O)=C1O)C(=O)O 8555AB [1,1,0,0,0,0|0,0,0]=2 39 B14R1.153 N[C@@H](CC1=C(O)C(O)=CC=C1)C(=O)O 2892AB [1,1,0,0,0,0|0,0,0]=2 40 B14R1.153 N[C@H](CC1=CC=CC(F)=C1F)C(=O)O 2400AB [1,1,0,0,0,0|1,0,0]=3 41 B14R1.153 N[C@H](CC1=CC=CC(O)=C1O)C(=O)O 4014AB [1,1,0,0,0,0|0,0,0]=2 42 B14R1.542 NCC(CC1=CC(Br)=CC=C1)C(=O)O 2340AL [1,1,0,0,0,0|1,0,0]=3 43 B14R1.4474 NC(CC1=CC(O)=CC=C1O)C(=O)O 2241AB [1,1,0,0,0,0|0,0,0]=2 44 B14R1.4474 N[C@@H](CC1=C(O)C=CC(O)=C1)C(=O)O 3600AB [1,1,0,0,0,0|0,0,0]=2 45 B14R1.4474 N[C@H](CC1=CC(Cl)=CC=C1Cl)C(=O)O Z5950 [1,1,0,0,0,0|1,0,0]=3 46 B14R1.4474 N[C@H](CC1=CC(O)=CC=C1O)C(=O)O 9050AB [1,1,0,0,0,0|0,0,0]=2 47 B14R1.42 COC1=CC(CCC(C)O)=CC=C1O Y8993 [1,1,0,0,0,0|1,0,1]=4 48 B16R1.1627 COC(=O)[C@@H](N)CC1=CC(I)=C(O)C(I)=C1 1876AC [0,2,0,0,0,0|1,0,0]=3 49 B16R1.4970 CCOC(=O)C(C)CC1=CC(F)=C(O)C=C1 4484AA [0,2,0,0,0,0|2,0,0]=4 50 B14R2.8239 NC1CC2=C(C=C(Cl)C=C2)NC1=O 8250AB [1,0,0,1,0,0|2,0,0]=4 51 B14R2.4476 O=C(O)C1CC1C2=CC(F)=CC=C2 1104AJ [1,0,0,1,0,0|2,0,0]=4 52 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 8848AB [1,0,0,0,1,0|2,0,0]=4 53 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(I)C=C1 2119AB [1,0,0,0,1,0|1,0,0]=3 54 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 3070AC [1,0,0,0,1,0|1,0,0]=3 55 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Br)C=C1 2744AD [1,0,0,0,1,0|2,0,0]=4 56 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 0174AE [1,0,0,0,1,0|2,0,0]=4 57 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 8975AH [1,0,0,0,1,0|2,0,0]=4 58 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 5418AJ [1,0,0,0,1,0|1,0,0]=3 59 B12R1.225 O=C(O)[C@@H](O)C1=CC(Cl)=CC=C1 3581AB [1,0,0,0,1,0|2,0,0]=4 60 B14R1.698 NC(CC(=O)O)CC1=CC=C(Cl)C=C1 0463AC [1,0,0,0,0,1|1,0,0]=3