0 B14R1.686 CC1=C(C)C=C(C[C@H](N)C(=O)O)C=C1 A50361 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.686 N[C@@H](CC1=CC(Br)=C(Br)C=C1)C(=O)O A50333 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.686 N[C@@H](CC1=CC(Cl)=C(Cl)C=C1)C(=O)O A50207 [0,0,0,0,0,0|2,0,0]=2 3 B14R1.686 N[C@@H](CC1=CC(Cl)=C(F)C=C1)C(=O)O A50337 [0,0,0,0,0,0|2,0,0]=2 4 B14R1.686 N[C@@H](CC1=CC(F)=C(Cl)C=C1)C(=O)O A50346 [0,0,0,0,0,0|2,0,0]=2 5 B14R1.686 N[C@@H](CC1=CC(I)=C(O)C=C1)C(=O)O C74340 [0,0,0,0,0,0|1,0,0]=1 6 B14R1.686 N[C@@H](CN1C=CC(=O)C(O)=C1)C(=O)O 41985 [0,0,0,0,0,0|1,0,1]=2 7 B13R1.133 C[C@H](SC1=CC=C(Cl)C=C1)C(=O)O C77995 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 D81237 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 N12064 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 N12284 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O CK2075 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 74166 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O N12343 [1,0,0,0,0,0|1,0,0]=2 14 B13R1.133 N[C@@H](CC1=CC=C([O-])C=C1)C(=O)[O-] D78280 [1,0,0,0,0,0|0,0,2]=3 15 B13R1.133 N[C@@H](CC1=CC=C([O-])C=C1)C(=O)[O-] S11670 [1,0,0,0,0,0|0,0,2]=3 16 B13R1.133 O=C(O)C(=O)CC1=CC=C(Br)C=C1 C91210 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O N12073 [1,0,0,0,0,0|1,0,0]=2 18 B13R1.148 O=C(O)C(=O)CC1=CC=CC(Br)=C1 C91155 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.511 CC1=C(Cl)C=C(CCC(=O)O)C=C1 F52884 [1,0,0,0,0,0|2,0,0]=3 20 B15R1.3777 N[C@@H](CC1=CC(F)=C(C=O)C=C1)C(=O)O A50340 [0,1,0,0,0,0|1,0,1]=3 21 B15R1.8394 CC1=CC(C)=C(C[C@H](N)C(=O)O)C=C1C A50320 [0,1,0,0,0,0|2,0,0]=3 22 B15R1.8408 N[C@@H](CC1=CC=C(F)C(F)=C1F)C(=O)O A50354 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.510 N[C@@H](C(=O)O)C1=CC(F)=C(Cl)C=C1 N12441 [0,0,0,0,1,0|2,0,0]=3 24 B13R1.510 O=C(O)[C@H](O)C1=CC(O)=C(O)C=C1 D89682 [0,0,0,0,1,0|1,0,0]=2 25 B15R1.883 N[C@@H](CC(=O)O)CC1=CC(Cl)=C(Cl)C=C1 77806 [0,0,0,0,0,1|2,0,0]=3 26 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 CL8805 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.21 NC1=CC=C(SCC(=O)O)C=C1 F16048 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 CL8804 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 31261 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 D90832 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.21 O=C(O)CSC1=CC=C(Br)C=C1 AT20944 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O A10414 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.43 C[C@H](SC1=CC=CC=C1)C(=O)O W18223 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10693 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O N12125 [2,0,0,0,0,0|0,0,0]=2 36 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A50242 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O N12178 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 I11536 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.226 O=C(O)CNC1=CC=CC(Br)=C1 CL8803 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.226 O=C(O)CSC1=CC=CC(Br)=C1 AT20947 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 H12011 [2,0,0,0,0,0|2,0,0]=4 42 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50315 [1,1,0,0,0,0|1,0,0]=3 43 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50365 [1,1,0,0,0,0|1,0,0]=3 44 B14R1.3 COC1=CC=C(CC(=O)C(=O)O)C=C1 A50663 [1,1,0,0,0,0|1,0,1]=4 45 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 N12112 [1,1,0,0,0,0|0,0,0]=2 46 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50211 [1,1,0,0,0,0|1,0,0]=3 47 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 H11408 [1,1,0,0,0,0|1,0,0]=3 48 B14R1.536 NC[C@H](CC1=CC=C(F)C=C1)C(=O)O 51866 [1,1,0,0,0,0|1,0,0]=3 49 B14R1.6049 CC1=CC(C)=C(C[C@H](N)C(=O)O)C=C1 A50111 [1,1,0,0,0,0|1,0,0]=3 50 B14R1.6049 CC1=CC(C)=C(C[C@H](N)C(=O)O)C=C1 A50115 [1,1,0,0,0,0|1,0,0]=3 51 B14R1.6049 CC1=CC(C)=C(C[C@H](N)C(=O)O)C=C1 A50352 [1,1,0,0,0,0|1,0,0]=3 52 B14R1.6049 N[C@@H](CC1=C(F)C=C(Cl)C=C1)C(=O)O A50345 [1,1,0,0,0,0|1,0,0]=3 53 B14R1.135 COC(=O)[C@@H](N)CC1=CC=CC(Br)=C1 AC6686 [1,1,0,0,0,0|1,0,0]=3 54 B14R1.135 COC(=O)[C@@H](N)CC1=CC=CC(Br)=C1 AC7063 [1,1,0,0,0,0|1,0,0]=3 55 B14R1.135 COC(=O)[C@@H](N)CC1=CC=CC(F)=C1 64047 [1,1,0,0,0,0|1,0,0]=3 56 B14R1.153 N[C@@H](CC1=CC=CC(Cl)=C1Cl)C(=O)O A50517 [1,1,0,0,0,0|1,0,0]=3 57 B14R1.153 N[C@@H](CC1=CC=CC(F)=C1F)C(=O)O A50356 [1,1,0,0,0,0|1,0,0]=3 58 B14R1.4257 CC1=CC(Br)=CC(C[C@H](N)C(=O)O)=C1 A50336 [1,1,0,0,0,0|1,0,0]=3 59 B14R1.4257 CC1=CC(C)=CC(C[C@H](N)C(=O)O)=C1 A50335 [1,1,0,0,0,0|1,0,0]=3 60 B14R1.4257 CC1=CC(F)=CC(C[C@H](N)C(=O)O)=C1 A50339 [1,1,0,0,0,0|1,0,0]=3 61 B14R1.4474 N[C@@H](CC1=C(Br)C=CC(Br)=C1)C(=O)O A50323 [1,1,0,0,0,0|1,0,0]=3 62 B14R1.42 COC1=C(F)C=CC(CCC(=O)O)=C1 F52909 [1,1,0,0,0,0|1,0,0]=3 63 B14R1.685 N[C@@H](CC(=O)O)C1=CC(Cl)=C(F)C=C1 AC6102 [1,1,0,0,0,0|2,0,0]=4 64 B14R1.3653 COC1=C(C)C=C(CCC(=O)O)C=C1 F52914 [1,1,0,0,0,0|1,0,0]=3 65 B14R1.3653 COC1=C(O)C=C(CCC(=O)O)C=C1 A50644 [1,1,0,0,0,0|0,0,0]=2 66 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 W16664 [1,0,0,0,1,0|1,0,0]=3 67 B12R1.104 N[C@@H](CC1=CC=C(Br)S1)C(=O)O A50246 [1,0,0,0,1,0|2,0,0]=4 68 B12R1.104 N[C@@H](CC1=CC=C(Cl)S1)C(=O)O A50380 [1,0,0,0,1,0|2,0,0]=4 69 B12R1.145 CC1=C(C[C@H](N)C(=O)O)SC=C1 A50383 [1,0,0,0,1,0|2,0,0]=4 70 B12R1.145 N[C@@H](CC1=CSC=C1Br)C(=O)O A50384 [1,0,0,0,1,0|2,0,0]=4 71 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 N12323 [1,0,0,0,1,0|1,0,0]=3 72 B12R1.225 C[C@@H](C(=O)O)C1=CC=CC(Br)=C1 O10464 [1,0,0,0,1,0|2,0,0]=4 73 B12R1.225 N[C@@H](C(=O)O)C1=CC(O)=CC=C1 A50297 [1,0,0,0,1,0|0,0,0]=2 74 B12R1.225 N[C@@H](C(=O)O)C1=CC(O)=CC=C1 A50298 [1,0,0,0,1,0|0,0,0]=2 75 B12R1.225 N[C@@H](C(=O)O)C1=CC(O)=CC=C1 A50299 [1,0,0,0,1,0|0,0,0]=2 76 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O 78198 [1,0,0,0,0,1|0,0,0]=2 77 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 FD10055 [1,0,0,0,0,1|1,0,0]=3 78 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(I)C=C1 77810 [1,0,0,0,0,1|1,0,0]=3