0 B13R1.11 COC(=O)CC(N)C1=CN=CC=C1 BB31-8370 [1,0,0,0,0,0|2,0,1]=4 1 B15R1.947 COC(=O)C(=O)CC(=O)C1=CC=NC=C1 BB31-7854 [0,1,0,0,0,0|3,0,0]=4 2 B15R1.3722 CCOC(=O)CC(=O)C1=C(I)C=CC=C1 BB31-6134 [0,1,0,0,0,0|0,0,0]=1 3 B15R2.1259 O=C(CN1CCCC1)C2=CC=CC=C2 BB10-7264 [0,0,0,1,0,0|3,0,0]=4 4 B13R1.33 CCOC(=O)CC(=O)C1=CC=CN1 BB32-0651 [0,0,0,0,1,0|1,0,0]=2 5 B13R1.33 CCOC(=O)CC(=O)C1=NC=CS1 BB32-0981 [0,0,0,0,1,0|2,0,0]=3 6 B13R1.47 C=C(C(=O)OCC)C1=CC=CC=C1 BB31-6176 [0,0,0,0,1,0|1,0,0]=2 7 B13R1.47 CCOC(=O)C(=O)C1=CN=CC=C1 BB31-6912 [0,0,0,0,1,0|1,0,0]=2 8 B13R1.47 CCOC(=O)C(=O)C1=NC=CC=C1 BB32-2312 [0,0,0,0,1,0|1,0,0]=2 9 B13R1.47 CCOC(=O)C(N)C1=CC=NC=C1 BB31-1071 [0,0,0,0,1,0|2,0,1]=4 10 B12R1.27 COC(=O)CCC1=NC=CC=C1 BB31-4510 [2,0,0,0,0,0|1,0,1]=4 11 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [2,0,0,0,0,0|1,0,0]=3 12 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 BB32-3562 [2,0,0,0,0,0|2,0,0]=4 13 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 BB31-5440 [2,0,0,0,0,0|1,0,1]=4 14 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 BB31-5414 [2,0,0,0,0,0|1,0,1]=4 15 B14R1.10 COC(=O)C[C@@H](N)C1=CC=C(Br)C=C1 BB31-5327 [1,1,0,0,0,0|1,0,1]=4 16 B14R1.58 COC(CC(=O)C1=CC=CC=C1)OC BB31-7643 [1,1,0,0,0,0|0,0,2]=4 17 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 BB31-7208 [1,1,0,0,0,0|0,0,1]=3 18 B14R1.32 CCOC(=O)CCC1=CC(O)=CC=C1 BB32-1696 [1,1,0,0,0,0|0,0,1]=3 19 B14R1.32 CCOC(=O)CNC1=CC=CC(Br)=C1 BB31-4352 [1,1,0,0,0,0|1,0,0]=3 20 B14R1.502 CCOC(=O)C#CC1=CC=C(F)C=C1 BB31-3401 [1,1,0,0,0,0|0,0,2]=4 21 B14R1.502 CCOC(=O)COC1=CC=C(F)C=C1 BB31-6869 [1,1,0,0,0,0|1,0,0]=3 22 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 BB32-1011 [1,1,0,0,0,0|1,0,0]=3 23 B14R1.502 CCOC(=O)CSC1=CC=C(Cl)C=C1 BB32-2445 [1,1,0,0,0,0|1,0,0]=3 24 B14R1.502 CCOC(=O)\C=C\C1=CN=C(Cl)C=C1 BB31-3054 [1,1,0,0,0,0|1,0,1]=4 25 B14R1.598 CCOC(=O)CCC1=C(Cl)C=CC=C1 BB32-1467 [1,1,0,0,0,0|0,0,1]=3 26 B14R1.598 CCOC(=O)CCC1=C(O)C=CC=C1 BB31-4130 [1,1,0,0,0,0|0,0,1]=3 27 B14R1.598 CCOC(=O)\C=C\C1=C(F)C=CC=C1 BB31-6357 [1,1,0,0,0,0|0,0,1]=3 28 B14R1.28 CCOC(=O)CC(=O)C1=NN(C)C=C1 BB05-1851 [0,1,0,0,1,0|2,0,0]=4 29 B16R1.58 CCOC(=O)CCC(=O)C1=CC=C(C)C=C1 BB31-7027 [0,1,0,0,0,1|0,0,0]=2 30 B16R1.1124 COC(=O)C(=O)CC(=O)C1=CC=C(Cl)C=C1 BB32-1639 [0,2,0,0,0,0|2,0,0]=4 31 B16R1.24755 CCOC(=O)CC(=O)C1=CC=C(Cl)N=C1Cl BB31-3434 [0,2,0,0,0,0|1,0,0]=3 32 B16R1.16904 COC(=O)C(=O)CC(=O)C1=C(C)C=CC=C1 BB31-8968 [0,2,0,0,0,0|2,0,0]=4 33 B16R1.4229 CCOC(=O)CC(=O)C1=C(OC)C=CC=C1 BB31-6135 [0,2,0,0,0,0|0,0,0]=2 34 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 BB31-2627 [1,0,0,1,0,0|0,0,2]=4 35 B16R2.734 CCOC(=O)CC1=NC2=C(C=CC=C2)O1 BB31-3277 [0,0,0,1,0,1|0,0,1]=3 36 B16R2.757 CCOC(=O)C1=C(O)C2=C(C=CC=C2)S1 BB32-2819 [0,1,0,1,0,0|0,0,2]=4 37 B16R2.757 CCOC(=O)C1OC2=C(C=CC=C2)C1=O BB31-1681 [0,1,0,1,0,0|0,0,0]=2 38 B16R2.757 CCOC(=O)C1OC2=C(C=CC=N2)C1=O BB31-1814 [0,1,0,1,0,0|1,0,0]=3 39 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 BB32-0740 [1,0,0,0,1,0|1,0,0]=3 40 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 BB12-7973 [1,0,0,0,1,0|1,0,1]=4 41 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 BB05-3247 [1,0,0,0,1,0|1,0,1]=4 42 B12R1.32 CCOC(=O)CC1=NC=NC=C1 BB31-1022 [1,0,0,0,1,0|2,0,0]=4 43 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 BB32-1957 [1,0,0,0,0,1|0,0,0]=2 44 B14R1.520 CCOC(=O)NOCC1=CC=CC=C1 BB32-2867 [1,0,0,0,0,1|1,0,1]=4