0 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50315 [0,0,0,0,0,0|3,0,0]=3 1 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50365 [0,0,0,0,0,0|3,0,0]=3 2 B14R1.3 COC1=CC=C(CC(=O)C(=O)O)C=C1 A50663 [0,0,0,0,0,0|2,0,1]=3 3 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 N12112 [0,0,0,0,0,0|2,0,0]=2 4 B14R1.3 COC1=CC=C(O[C@@H](C)C(=O)[O-])C=C1 F20512 [0,0,0,0,0,0|0,0,1]=1 5 B14R1.3 COC1=CC=C(\C=C(/C)C(=O)O)C=C1 W18287 [0,0,0,0,0,0|1,0,1]=2 6 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50211 [0,0,0,0,0,0|4,0,0]=4 7 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 H11408 [0,0,0,0,0,0|4,0,0]=4 8 B13R1.3 COC1=CC=C(OC[C@H](C)O)C=C1 D91437 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.3 COC1=CC=C(\C=C/C(=O)O)C=C1 F11299 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.3 COC1=CC=C(\C=C\C(=O)Cl)C=C1 D87771 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.3 CSC1=CC=C(OCC(=O)O)C=C1 AC4457 [1,0,0,0,0,0|0,1,0]=2 12 B13R1.5 CN[C@@H](C)CC1=CC=C(OC)C=C1 N10879 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.133 C[C@H](SC1=CC=C(Cl)C=C1)C(=O)O C77995 [1,0,0,0,0,0|1,1,0]=3 14 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 D81237 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 N12064 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 N12284 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O CK2075 [1,0,0,0,0,0|3,0,0]=4 18 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 74166 [1,0,0,0,0,0|3,0,0]=4 19 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O N12343 [1,0,0,0,0,0|3,0,0]=4 20 B15R1.495 CC(C)C1=CC=C(C[C@H](N)C(=O)O)C=C1 N10918 [0,1,0,0,0,0|3,0,0]=4 21 B15R1.495 CN(C)C1=CC=C(C[C@H](N)C(=O)O)C=C1 A50343 [0,1,0,0,0,0|3,0,0]=4 22 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)S2 F18725 [0,0,0,1,0,0|2,0,1]=4 23 B13R1.36 CCC1=CC=C([C@@H](N)C(=O)O)C=C1 N12432 [0,0,0,0,1,0|2,0,0]=3 24 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 D78576 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.21 CC(=O)COC1=CC=C(F)C=C1 D78577 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 CL8805 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.21 CC1=CC=C(OCC(=O)Cl)C=C1 D97320 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.21 CC1=CC=C(OC[C@H](C)O)C=C1 D91440 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.21 NC1=CC=C(SCC(=O)O)C=C1 F16048 [2,0,0,0,0,0|1,1,0]=4 30 B12R1.21 O=C(Cl)COC1=CC=C(Cl)C=C1 D89302 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 CL8804 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 31261 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 D90832 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.21 O=C(O)CSC1=CC=C(Br)C=C1 AT20944 [2,0,0,0,0,0|1,1,0]=4 35 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O A10414 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.43 C[C@H](SC1=CC=CC=C1)C(=O)O W18223 [2,0,0,0,0,0|0,1,0]=3 37 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 78150 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O N12125 [2,0,0,0,0,0|2,0,0]=4 39 B14R1.2 CSC1=CC=C([C@@H](N)CC(=O)O)C=C1 N10809 [1,1,0,0,0,0|1,1,0]=4 40 B14R1.103 COC1=CC(F)=C(\C=C\C(=O)O)C=C1 71405 [1,1,0,0,0,0|1,0,1]=4 41 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 23056 [1,1,0,0,0,0|1,0,1]=4 42 B14R1.419 CC(C)C1=CC=C(CCC(=O)O)C=C1 F52866 [1,1,0,0,0,0|2,0,0]=4 43 B14R1.3653 COC1=C(C)C=C(CCC(=O)O)C=C1 F52914 [1,1,0,0,0,0|1,0,0]=3 44 B14R1.3653 COC1=C(O)C=C(CCC(=O)O)C=C1 A50644 [1,1,0,0,0,0|1,0,0]=3 45 B14R1.536 NC[C@H](CC1=CC=C(F)C=C1)C(=O)O 51866 [1,1,0,0,0,0|2,0,0]=4 46 B14R1.686 CC1=C(C)C=C(C[C@H](N)C(=O)O)C=C1 A50361 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.686 N[C@@H](CC1=CC(I)=C(O)C=C1)C(=O)O C74340 [1,1,0,0,0,0|2,0,0]=4 48 B14R1.6049 CC1=CC(C)=C(C[C@H](N)C(=O)O)C=C1 A50111 [1,1,0,0,0,0|2,0,0]=4 49 B14R1.6049 CC1=CC(C)=C(C[C@H](N)C(=O)O)C=C1 A50115 [1,1,0,0,0,0|2,0,0]=4 50 B14R1.6049 CC1=CC(C)=C(C[C@H](N)C(=O)O)C=C1 A50352 [1,1,0,0,0,0|2,0,0]=4 51 B14R1.7626 CC1=CN=C(OC(C)(C)C(=O)O)C=C1 D85742 [1,1,0,0,0,0|1,0,0]=3 52 B14R1.213 COC1=CC=C(C(C)(C)C(=O)O)C=C1 S11900 [0,1,0,0,1,0|0,0,0]=2 53 B14R1.6402 CC(C)C1=CC=C([C@@H](N)C(=O)O)C=C1 N12409 [0,1,0,0,1,0|2,0,0]=4 54 B16R1.1283 CC(=O)OC1=CC=C(C[C@H](N)C(=O)O)C=C1 A11594 [0,2,0,0,0,0|2,0,0]=4 55 B14R1.153 CC1=CC=CC(O[C@@H](C)C(=O)O)=C1C C78069 [0,0,1,1,0,0|1,0,1]=4 56 B16R2.7486 COC1=CC2=C(C=C1)C[C@@H](C(=O)O)CC2 F16240 [0,1,0,1,0,0|1,0,0]=3 57 B12R1.5 CN[C@@H](C)C1=CC=C(OC)C=C1 N12139 [1,0,0,0,1,0|2,0,0]=4 58 B12R1.5 COC1=CC=C(N(C)C=O)C=C1 T72571 [1,0,0,0,1,0|1,0,0]=3 59 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 W16664 [1,0,0,0,1,0|2,0,0]=4 60 B14R1.4 COC1=CC=C(SCCC(=O)O)C=C1 90742 [1,0,0,0,0,1|0,1,0]=3 61 B14R1.4 CSC1=CC=C(OCCC(=O)O)C=C1 AC4952 [1,0,0,0,0,1|0,1,0]=3 62 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O 78198 [1,0,0,0,0,1|2,0,0]=4