0 B13R1.351 CC(O)C(C)NCC1=CC=CC=C1 B16802 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 A6347 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.27 CCC(=O)CCC1=CC=CC=C1 P7542 [1,0,0,0,0,0|1,0,0]=2 3 B12R1.27 CNC(=S)NCC1=CC=CC=C1 B8222 [1,0,0,0,0,0|2,1,0]=4 4 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B9098 [1,0,0,0,0,0|1,0,0]=2 5 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B7715 [1,0,0,0,0,0|2,0,0]=3 6 B14R1.756 O=C(OCC1=CC=CC=C1)C(Br)CBr B13062 [0,1,0,0,0,0|1,0,0]=2 7 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O P1216 [0,0,0,1,0,0|2,0,0]=3 8 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O P1216 [0,0,0,1,0,0|2,0,0]=3 9 B14R2.741 O=C1NCC2=CC=CC=C2CC1F F17491 [0,0,0,1,0,0|2,0,0]=3 10 B14R2.741 O=C1NCC2=CC=CC=C2CC1I I17495 [0,0,0,1,0,0|2,0,0]=3 11 B12R1.43 CN(C)C(=O)OC1=CN=CC=C1 D7719 [0,0,0,0,1,0|2,0,0]=3 12 B12R1.43 CN(C)C(=O)OC1=NC=CC=C1 D13986 [0,0,0,0,1,0|2,0,0]=3 13 B12R1.43 CN(O)C(=O)NC1=CC=CC=C1 H7718 [0,0,0,0,1,0|3,0,0]=4 14 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 P1200 [0,0,0,0,1,0|2,0,1]=4 15 B14R1.6449 CC(C)C(O)CNCC1=CC=CC=C1 B16830 [0,0,0,0,0,1|1,0,2]=4 16 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [2,0,0,0,0,0|2,0,0]=4 17 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 A15460 [1,1,0,0,0,0|2,0,0]=4 18 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 M1255 [1,1,0,0,0,0|2,0,0]=4 19 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 M13251 [1,1,0,0,0,0|2,0,0]=4 20 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 P11245 [1,1,0,0,0,0|1,0,0]=3 21 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 E8131 [1,1,0,0,0,0|1,0,0]=3 22 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 B18347 [1,1,0,0,0,0|1,0,0]=3 23 B13R1.135 CNC(=O)C(C)CC1=CC=CC=C1 M13164 [1,1,0,0,0,0|2,0,0]=4 24 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [1,1,0,0,0,0|2,0,0]=4 25 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [1,1,0,0,0,0|2,0,0]=4 26 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M8214 [1,1,0,0,0,0|2,0,0]=4 27 B13R1.718 NCC(O)COCC1=CC=CC=C1 A14985 [1,1,0,0,0,0|1,0,1]=4 28 B13R1.148 CN(C)C(=O)OC1=CC=C[N+](C)=C1 P6207 [0,1,0,0,1,0|2,0,0]=4 29 B13R1.353 CC(C)(C)C(=O)CC1=NC=CC=C1 D8101 [0,1,0,0,1,0|1,0,0]=3 30 B13R1.353 CC(C)(C)C(=O)NC1=CC=CC=C1 P15016 [0,1,0,0,1,0|1,0,0]=3 31 B15R1.3465 CC(C)(C)OC(=O)NCC1=CC=NC=C1 A13051 [0,1,0,0,0,1|2,0,0]=4 32 B15R1.894 CC(C)(C)C(=O)CCC1=CC=C(Cl)C=C1 C2713 [0,2,0,0,0,0|1,0,0]=3 33 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 P1318 [1,0,0,1,0,0|2,0,0]=4 34 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P5888 [1,0,0,1,0,0|2,0,0]=4 35 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [1,0,0,1,0,0|2,0,0]=4 36 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [1,0,0,1,0,0|2,0,0]=4 37 B13R2.33 O=C1CCC2=CC=CC=C2CN1 T17510 [1,0,0,1,0,0|1,0,0]=3 38 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 B4759 [1,0,0,1,0,0|1,0,1]=4 39 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 B4759 [1,0,0,1,0,0|1,0,1]=4 40 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 B4758 [1,0,0,1,0,0|1,0,1]=4 41 B13R2.359 CC1=NC2=C(C=CC=C2)C1(C)C T7486 [0,0,0,1,1,0|2,0,0]=4 42 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C7816 [1,0,0,0,1,0|2,0,0]=4 43 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 B9586 [0,0,0,0,2,0|1,0,0]=3 44 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 B9586 [0,0,0,0,2,0|1,0,0]=3