0 B13R1.45 C[C@H](O)CNC(=O)C1=CC=CC=C1 V10316 [1,0,0,0,0,0|2,0,1]=4 1 B13R1.45 C[C@H](O)CNC(=O)C1=CC=CC=C1 V10317 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.158 NC1=C(CCCC(=O)O)C=CC=C1 F17095 [1,0,0,0,0,0|1,0,1]=3 3 B15R2.6 O=C(O)CCN1C=CC2=C1C=CC=C2 A12736 [0,0,0,1,0,0|3,0,0]=4 4 B15R2.6 O=C(O)CCN1CCC2=C1C=CC=C2 71170 [0,0,0,1,0,0|3,0,0]=4 5 B15R2.14951 O=C([O-])C1=CC(=O)C2=C(C=CC=C2)O1 33017 [0,0,0,1,0,0|0,0,3]=4 6 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 77762 [0,0,0,0,1,0|2,0,1]=4 7 B13R1.201 N[C@@H](CC(=O)O)C1=C(Br)C=CC=C1 A50489 [0,0,0,0,1,0|2,0,1]=4 8 B12R1.30 O=C(NCCO)C1=CC=CC=C1 V10315 [2,0,0,0,0,0|1,0,1]=4 9 B12R1.252 O=C(O)CCCC1=CC=NC=C1 C16278 [2,0,0,0,0,0|1,0,1]=4 10 B12R1.252 O=C(O)CSCC1=CC=CC=C1 52680 [2,0,0,0,0,0|1,0,1]=4 11 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O FD21045 [1,1,0,0,0,0|1,0,0]=3 12 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Cl)C=C1 AC8376 [1,1,0,0,0,0|2,0,0]=4 13 B14R1.678 O=C(O)CNC(=O)C1=CC=C(F)C=C1 T72371 [1,1,0,0,0,0|1,0,0]=3 14 B14R1.678 O=C(O)CNC(=O)C1=CC=C(O)C=C1 FD21631 [1,1,0,0,0,0|1,0,0]=3 15 B14R1.337 CC1=C(C[C@@H](N)CC(=O)O)C=CC=C1 FD10064 [1,1,0,0,0,0|1,0,1]=4 16 B14R1.2523 CCCCC(=O)C1=C(O)C=C(C)C=C1 75554 [1,1,0,0,0,0|1,0,1]=4 17 B14R1.840 COC1=C([C@@H](N)CC(=O)O)C=CC=C1 N12357 [0,1,0,0,1,0|1,0,1]=4 18 B16R1.40160 COC(=O)CCC(=O)C1=C(O)C=C(C)C=C1 D87473 [0,2,0,0,0,0|0,0,0]=2 19 B14R2.781 O=C(O)[C@@H]1CNC2=C(C=CC=C2)O1 77316 [1,0,0,1,0,0|1,0,0]=3 20 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=C(Br)C=CC=C2 D72705 [1,0,0,1,0,0|1,0,1]=4 21 B16R2.3989 O=C(O)C[C@@H]1NC2=C(C=CC=C2)NC1=O 23583 [0,0,0,1,0,1|1,0,0]=3 22 B16R2.83538 O=C(O)CN1N=NC2=C(C=CC=C2)C1=O C11099 [0,1,0,1,0,0|2,0,0]=4 23 B16R2.12 N[C@@H](CC1=CSC2=C1C=CC=C2)C(=O)O E72034 [0,1,0,1,0,0|1,1,0]=4 24 B16R2.12 O=C(O)[C@@H](O)CC1=CNC2=C1C=CC=C2 F16362 [0,1,0,1,0,0|2,0,0]=4 25 B16R2.3355 C[C@@H](C(=O)O)N1CC2=C(C=CC=C2)C1=O E72278 [0,1,0,1,0,0|2,0,0]=4 26 B16R2.3355 C[C@@H](C(=O)O)N1CC2=C(C=CC=C2)C1=O E72279 [0,1,0,1,0,0|2,0,0]=4 27 B12R1.54 O=C(O)CCC(=O)C1=CSC=C1 P17003 [1,0,0,0,1,0|1,0,0]=3 28 B12R1.54 O=C(O)CNC(=O)C1=CSC=C1 F21171 [1,0,0,0,1,0|2,0,0]=4 29 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 D77816 [1,0,0,0,1,0|1,0,1]=4 30 B12R1.125 CC1=C(SCC(=O)O)C=CC=C1 AT20928 [1,0,0,0,1,0|2,0,0]=4 31 B12R1.125 NC1=C(SCC(=O)O)C=CC=C1 AT20950 [1,0,0,0,1,0|2,0,0]=4 32 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 A50576 [1,0,0,0,1,0|2,0,0]=4 33 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 AT23402 [1,0,0,0,1,0|1,0,0]=3 34 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 77939 [1,0,0,0,1,0|1,0,1]=4 35 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 N10976 [0,0,0,0,2,0|1,0,1]=4