0 B14R1.686 CC1=C(C)C=C(C[C@H](N)C(=O)O)C=C1 BB31-8341 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.686 CC1=C(F)C=C(CC(N)C(=O)O)C=C1 BB32-0531 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.686 N[C@H](CC1=CC(F)=C(Cl)C=C1)C(=O)O BB32-0136 [0,0,0,0,0,0|2,0,0]=2 3 B14R1.686 N[C@H](CC1=CC(F)=C(O)C=C1)C(=O)O BB32-3015 [0,0,0,0,0,0|1,0,0]=1 4 B13R1.133 CC(OC1=CC=C(I)C=C1)C(=O)O BB05-4897 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.133 CC(OC1=CC=C(O)C=C1)C(=O)O BB12-1748 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 BB12-2267 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1N BB54-5144 [1,0,0,0,0,0|2,0,0]=3 8 B15R1.8394 N[C@@H](CC1=CC(F)=C(F)C=C1F)C(=O)O BB31-7101 [0,1,0,0,0,0|2,0,0]=3 9 B15R1.8394 N[C@H](CC1=CC(F)=C(F)C=C1F)C(=O)O BB31-2219 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.510 CC1=C(F)C=CC(C(N)C(=O)O)=C1 BB32-1428 [0,0,0,0,1,0|2,0,0]=3 11 B13R1.510 NC(C(=O)O)C1=CC=C(F)C(Br)=C1 BB56-0070 [0,0,0,0,1,0|2,0,0]=3 12 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 BB12-2588 [2,0,0,0,0,0|2,0,0]=4 13 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB05-4599 [2,0,0,0,0,0|1,0,0]=3 14 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB12-1847 [2,0,0,0,0,0|2,0,0]=4 15 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 BB54-2898 [2,0,0,0,0,0|1,0,0]=3 16 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 BB58-0806 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 BB58-0803 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 BB54-3217 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O BB01-8382 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 BB12-2587 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 BB12-2907 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 BB54-1054 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.226 O=C(O)CNC1=CC(Cl)=CC=C1 BB58-0802 [2,0,0,0,0,0|2,0,0]=4 24 B14R1.3 CCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 BB31-7166 [1,1,0,0,0,0|1,0,0]=3 25 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 BB55-3801 [1,1,0,0,0,0|2,0,0]=4 26 B14R1.134 COC(=O)C(N)CC1=CC=C(Cl)C=C1 BB55-7499 [1,1,0,0,0,0|1,0,0]=3 27 B14R1.6049 CC1=CC(C)=C(C[C@H](N)C(=O)O)C=C1 BB31-4361 [1,1,0,0,0,0|1,0,0]=3 28 B14R1.7626 CC(C)(CC1=CC=C(F)C=C1)C(=O)O BB31-7093 [1,1,0,0,0,0|2,0,0]=4 29 B14R1.135 COC(=O)[C@H](N)CC1=CC(C)=CC=C1 BB20-3427 [1,1,0,0,0,0|1,0,0]=3 30 B14R1.153 N[C@H](CC1=CC=CC(Cl)=C1Cl)C(=O)O BB31-9691 [1,1,0,0,0,0|1,0,0]=3 31 B14R1.4474 N[C@H](CC1=C(Cl)C=CC(Cl)=C1)C(=O)O BB31-7078 [1,1,0,0,0,0|1,0,0]=3 32 B14R1.42 COC1=C(O)C=CC(CCC(=O)O)=C1 BB54-3587 [1,1,0,0,0,0|0,0,0]=2 33 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O BB12-2811 [1,1,0,0,0,0|0,0,2]=4 34 B14R1.685 NC(CC(=O)O)C1=CC(Cl)=C(Cl)C=C1 BB56-0131 [1,1,0,0,0,0|2,0,0]=4 35 B14R1.41 COC1=C(O)C=CC(C(N)C(=O)O)=C1 BB56-0073 [0,1,0,0,1,0|0,0,0]=2 36 B14R1.3652 COC1=CC=C(C(N)C(=O)O)C=C1C BB56-0300 [0,1,0,0,1,0|1,0,0]=3 37 B14R1.3652 COC1=CC=C(C(N)C(=O)O)C=C1Cl BB56-0282 [0,1,0,0,1,0|1,0,0]=3 38 B14R1.6038 CC1=CC(C)=C(C)C=C1C(N)C(=O)O BB56-0302 [0,1,0,0,1,0|2,0,0]=4 39 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 BB05-2373 [1,0,0,1,0,0|2,0,0]=4 40 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 BB05-0982 [1,0,0,1,0,0|2,0,0]=4 41 B16R2.6257 CC(CC1=CC2=C(C=C1)OCO2)C(=O)O BB05-3258 [0,1,0,1,0,0|1,0,0]=3 42 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 BB32-3804 [1,0,0,0,1,0|1,0,0]=3 43 B12R1.20 CC1=CC=C([C@H](N)C(=O)O)C=C1 BB31-8873 [1,0,0,0,1,0|1,0,0]=3 44 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 BB56-0268 [1,0,0,0,1,0|1,0,0]=3 45 B12R1.20 NC(C(=O)O)C1=CC=C(I)C=C1 BB56-0239 [1,0,0,0,1,0|1,0,0]=3 46 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 BB31-6647 [1,0,0,0,1,0|1,0,0]=3 47 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 BB31-4040 [1,0,0,0,1,0|1,0,0]=3 48 B12R1.225 NC(C(=O)O)C1=CC=CC(O)=C1 BB55-8643 [1,0,0,0,1,0|0,0,0]=2 49 B12R1.225 O=C(O)C(O)C1=CC=CC(Br)=C1 BB31-7632 [1,0,0,0,1,0|2,0,0]=4