0 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S1319 [1,0,0,0,0,0|3,0,0]=4 1 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S1319 [1,0,0,0,0,0|3,0,0]=4 2 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S6266 [1,0,0,0,0,0|3,0,0]=4 3 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S9173 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.16 NC(CCO)C1=CC=C(Br)C=C1 B18648 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 A14594 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 A14601 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.16 NC1=CC=C(C(N)CCO)C=C1 A18162 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 B18642 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 A15457 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 A3681 [1,0,0,0,0,0|1,0,0]=2 11 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 H15811 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 B5333 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 M6928 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 F7822 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 F7822 [1,0,0,0,0,0|2,0,1]=4 16 B12R1.34 N[C@@H](CO)[C@@H](O)C1=CC=CC=C1 A0003 [1,0,0,0,0,0|0,0,0]=1 17 B12R1.49 N\C(CC1=CC=C(Br)C=C1)=N\O B10269 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.49 N\C(CC1=CC=C(Cl)C=C1)=N\O C13730 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.1 CCCCC1=CC=C(N)C=C1 B1469 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.1 CCCCC1=CC=C(S)C=C1 B7731 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.16 CNCC(O)C1=CC=CC=C1 M12439 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.16 NC(CCO)C1=CC=CN=C1 A14587 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C7851 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C7852 [2,0,0,0,0,0|1,0,0]=3 25 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 A3785 [2,0,0,0,0,0|0,0,2]=4 26 B11R1.22 CCC(O)C1=CC=C(N)C=C1 A14442 [2,0,0,0,0,0|0,0,0]=2 27 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 A15527 [2,0,0,0,0,0|1,0,0]=3 28 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B9590 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A0970 [2,0,0,0,0,0|1,0,1]=4 30 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [2,0,0,0,0,0|1,0,1]=4 31 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [2,0,0,0,0,0|1,0,1]=4 32 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 M0801 [2,0,0,0,0,0|1,0,1]=4 33 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 A2030 [2,0,0,0,0,0|0,0,0]=2 34 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [2,0,0,0,0,0|0,0,0]=2 35 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [2,0,0,0,0,0|0,0,0]=2 36 B13R1.17 NC1=CC=C(C(=O)NCCO)C=C1 A8219 [1,1,0,0,0,0|0,0,2]=4 37 B13R1.452 CCC1=CC=C(C(N)CCO)C=C1 A14590 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.466 NC(CCO)C1=CC(Cl)=C(Cl)C=C1 A14593 [1,1,0,0,0,0|2,0,0]=4 39 B13R1.1511 CC1=CC(C)=C(C(N)CCO)C=C1 A14591 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.152 CC(C1=CC=CC=C1)[C@H](N)C(=O)O A12805 [1,1,0,0,0,0|1,0,1]=4 41 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O F2315 [1,1,0,0,0,0|1,0,1]=4 42 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O I0355 [1,1,0,0,0,0|1,0,1]=4 43 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 A5097 [1,1,0,0,0,0|0,0,1]=3 44 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O B10803 [1,1,0,0,0,0|1,0,1]=4 45 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O C0354 [1,1,0,0,0,0|1,0,1]=4 46 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O F6348 [1,1,0,0,0,0|1,0,1]=4 47 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O I6328 [1,1,0,0,0,0|1,0,1]=4 48 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O T19184 [1,1,0,0,0,0|1,0,1]=4 49 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O B10804 [1,1,0,0,0,0|1,0,1]=4 50 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O C9004 [1,1,0,0,0,0|1,0,1]=4 51 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O F8323 [1,1,0,0,0,0|1,0,1]=4 52 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O T6097 [1,1,0,0,0,0|1,0,1]=4 53 B15R1.1333 N[C@@H](CO)[C@@H](O)C1=CC=C([N+](=O)[O-])C=C1 A7183 [0,2,0,0,0,0|0,0,1]=3 54 B15R1.1333 N[C@H](CO)[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 A1453 [0,2,0,0,0,0|0,0,1]=3 55 B15R1.890 N[C@H](C(=O)O)[C@H](O)C1=CC(O)=C(O)C=C1 D9593 [0,2,0,0,0,0|1,0,1]=4 56 B13R1.14 OCC(O)COC1=CC=C(Cl)C=C1 C3554 [1,0,0,0,0,1|2,0,0]=4