0 B14R1.101 COC1=C(OC(C)C)C=CC(CN)=C1 BB58-0566 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.101 COC1=C(OC(F)F)C=CC(C=O)=C1 BB55-0090 [0,0,0,0,0,0|2,0,1]=3 2 B14R1.101 COC1=CC=C(CC(=O)O)C(OC)=C1 BB12-2236 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.51 COC1=C(NC(C)=O)C=CC(Br)=C1 BB12-5052 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.51 COC1=CC(N)=CC=C1NC(C)=O BB12-4711 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.51 COC1=CC(N)=CC=C1OC(C)C BB57-6617 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.653 CC(C)OC1=CC=C(C=O)C=C1Br BB17-1887 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.1249 CCOC1=C(OC)C=C(CN)C=C1 BB01-6610 [1,0,0,0,0,0|1,0,2]=4 8 B13R1.1249 CCOC1=CC=C(C=O)C=C1CO BB57-7159 [1,0,0,0,0,0|2,0,1]=4 9 B15R1.37 C(F)(F)OC1=CC=C(C(=O)O)C=C1OC BB55-0115 [0,1,0,0,0,0|2,0,1]=4 10 B15R1.37 C(F)(F)OC1=CC=C(C(N)=O)C=C1OC BB55-2950 [0,1,0,0,0,0|2,0,1]=4 11 B15R1.37 COC1=CC(C(=O)Cl)=CC=C1OC(C)C BB55-5755 [0,1,0,0,0,0|1,0,1]=3 12 B15R1.37 COC1=CC([N+](=O)[O-])=CC=C1NC(C)=O BB12-4712 [0,1,0,0,0,0|2,0,0]=3 13 B15R1.712 COC1=C(OC(C)C)C(Br)=CC(C=O)=C1 BB05-0580 [0,1,0,0,0,0|1,0,1]=3 14 B15R1.712 COC1=C(OC(C)C)C(I)=CC(C=O)=C1 BB05-0687 [0,1,0,0,0,0|1,0,1]=3 15 B15R1.712 COC1=C(OC(F)F)C(Br)=CC(C=O)=C1 BB17-1883 [0,1,0,0,0,0|2,0,1]=4 16 B15R1.712 COC1=CC(C#N)=CC(Br)=C1OC(C)=O BB55-4311 [0,1,0,0,0,0|1,0,1]=3 17 B15R1.712 COC1=CC(C=O)=CC(Br)=C1OC(C)=O BB55-0969 [0,1,0,0,0,0|0,0,0]=1 18 B15R1.1822 COC1=C(OC(C)C)C=C(Cl)C(C=O)=C1 BB05-2793 [0,1,0,0,0,0|1,0,1]=3 19 B15R1.1822 COC1=CC(C#N)=C(Br)C=C1OC(C)=O BB55-4301 [0,1,0,0,0,0|1,0,1]=3 20 B15R1.1902 COC(=O)CC1=CC=C(OC)C=C1OC BB54-3798 [0,1,0,0,0,0|3,0,0]=4 21 B15R1.1902 COC1=CC=C(NC(=O)CBr)C(OC)=C1 BB17-0235 [0,1,0,0,0,0|3,0,0]=4 22 B15R1.9239 CCOC1=C(OC(C)=O)C=CC(C=O)=C1 BB05-0531 [0,1,0,0,0,0|0,0,0]=1 23 B15R1.9239 CCOC1=C(OC(F)F)C=CC(C=O)=C1 BB05-1490 [0,1,0,0,0,0|2,0,1]=4 24 B15R1.9239 CCOC1=C(OC(F)F)C=CC(C=O)=C1 BB55-6579 [0,1,0,0,0,0|2,0,1]=4 25 B15R1.9239 COCC1=CC(C=O)=CC=C1OC(C)C BB57-7168 [0,1,0,0,0,0|1,0,1]=3 26 B15R1.1904 COC1=C(OCC(F)F)C=CC(C=O)=C1 BB05-4786 [0,0,0,0,0,1|2,0,1]=4 27 B12R1.75 CC(=O)OC1=C(CN)C=CC=C1 BB54-5036 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.75 COC1=C(CC(=O)Cl)C=CC=C1 BB20-1618 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.75 COC1=C(NC(C)=O)C=CC=C1 BB12-5051 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.233 CC(=O)NC1=CC=C(C)C=C1O BB12-2649 [2,0,0,0,0,0|1,0,1]=4 31 B14R1.3417 COC(=O)NC1=C(OC)C=C(N)C=C1 BB57-7001 [1,1,0,0,0,0|2,0,0]=4 32 B14R1.124 CC(=O)NC1=CC=C([N+](=O)[O-])C=C1O BB17-1827 [1,1,0,0,0,0|2,0,0]=4 33 B14R1.1355 C#CCOC1=C(OC)C=C(C=O)C=C1 BB57-5606 [1,1,0,0,0,0|0,0,2]=4 34 B14R1.1355 COC1=C(OCCO)C=CC(C=O)=C1 BB05-0522 [1,1,0,0,0,0|0,0,1]=3 35 B14R1.6723 CCOC1=CC=C(C(=O)O)C=C1OC BB57-1168 [1,1,0,0,0,0|0,0,1]=3 36 B14R1.14885 CCOC1=C(Cl)C=C(C=O)C=C1OC BB17-1164 [1,1,0,0,0,0|0,0,1]=3 37 B14R1.14885 CCOC1=C(OC)C=C(C=O)C=C1Br BB05-0571 [1,1,0,0,0,0|0,0,1]=3 38 B14R1.14885 CCOC1=C(OC)C=C(C=O)C=C1I BB05-0680 [1,1,0,0,0,0|0,0,1]=3 39 B14R1.14885 CCOC1=C(OC)C=C(C=O)C=C1I BB17-1174 [1,1,0,0,0,0|0,0,1]=3 40 B14R1.15070 CCOC1=C(OC)C=C(C=O)C(Br)=C1 BB05-0618 [1,1,0,0,0,0|0,0,1]=3 41 B14R1.15070 CCOC1=C(OC)C=C(C=O)C(Cl)=C1 BB05-2791 [1,1,0,0,0,0|0,0,1]=3 42 B14R1.15070 CCOC1=CC(Br)=C(C=O)C=C1OC BB55-0963 [1,1,0,0,0,0|0,0,1]=3 43 B14R1.2293 COC1=CC(OC)=C(C(C)=O)C=C1Cl BB54-3951 [0,1,0,0,1,0|2,0,0]=4 44 B16R1.9044 CCOC1=CC(C=O)=CC=C1OCC(=O)O BB17-1597 [0,1,0,0,0,1|1,0,0]=3 45 B16R1.9044 CCOC1=CC(C=O)=CC=C1OCC(N)=O BB05-0488 [0,1,0,0,0,1|1,0,0]=3 46 B16R1.14579 COC1=C(OCC(=O)O)C(Cl)=CC(C=O)=C1 BB17-1616 [0,1,0,0,0,1|1,0,0]=3 47 B16R1.14579 COC1=C(OCC(=O)O)C(I)=CC(C=O)=C1 BB05-0683 [0,1,0,0,0,1|1,0,0]=3 48 B16R1.14579 COC1=C(OCC(C)C)C(Br)=CC(C=O)=C1 BB05-2864 [0,1,0,0,0,1|1,0,1]=4 49 B16R1.14579 COC1=C(OCC(N)=O)C(Br)=CC(C=O)=C1 BB05-0608 [0,1,0,0,0,1|1,0,0]=3 50 B16R1.14579 COC1=C(OCC(N)=O)C(Cl)=CC(C=O)=C1 BB05-0585 [0,1,0,0,0,1|1,0,0]=3 51 B16R1.18494 COC1=C(OCC(C)C)C=CC(C(=O)O)=C1 BB05-2901 [0,1,0,0,0,1|1,0,1]=4 52 B16R1.18494 COC1=C(OCC(N)=O)C=CC(C(=O)O)=C1 BB17-1906 [0,1,0,0,0,1|1,0,0]=3 53 B16R1.18494 COC1=CC(C(=O)Cl)=CC=C1OCC(C)C BB55-5758 [0,1,0,0,0,1|1,0,1]=4 54 B16R1.20052 COC1=C(OCC(N)=O)C=C(Cl)C(C=O)=C1 BB05-2797 [0,1,0,0,0,1|1,0,0]=3 55 B16R1.20052 COC1=CC(C=O)=C(Br)C=C1OCC(N)=O BB05-0652 [0,1,0,0,0,1|1,0,0]=3 56 B16R1.20196 COC1=C(OC(C)C(=O)O)C=CC(C=O)=C1 BB54-1939 [0,1,0,0,0,1|1,0,0]=3 57 B16R1.20197 COC(=O)COC1=C(OC)C=C(C=O)C=C1 BB05-2911 [0,1,0,0,0,1|0,0,0]=2 58 B16R1.438 COC1=CC(C(=O)Cl)=CC(Br)=C1OC(C)C BB55-5811 [0,2,0,0,0,0|1,0,1]=4 59 B16R1.645 CCOC1=CC(C(=O)O)=CC=C1OC(C)C BB17-1873 [0,2,0,0,0,0|1,0,1]=4 60 B16R1.20023 COC1=CC(C(=O)Cl)=C(Br)C=C1OC(C)C BB55-5809 [0,2,0,0,0,0|1,0,1]=4 61 B16R1.4050 CCOC1=C(OC(C)=O)C(I)=CC(C=O)=C1 BB05-0695 [0,2,0,0,0,0|0,0,0]=2 62 B16R1.4050 CCOC1=C(OC(C)C)C(Br)=CC(C=O)=C1 BB05-0595 [0,2,0,0,0,0|1,0,1]=4 63 B16R1.4050 CCOC1=C(OC(C)C)C(Cl)=CC(C=O)=C1 BB05-0567 [0,2,0,0,0,0|1,0,1]=4 64 B16R1.4050 CCOC1=C(OC(C)C)C(I)=CC(C=O)=C1 BB05-0698 [0,2,0,0,0,0|1,0,1]=4 65 B16R1.49282 CCOC1=C(OC(C)=O)C=C(Br)C(C=O)=C1 BB05-0636 [0,2,0,0,0,0|0,0,0]=2 66 B16R1.49282 CCOC1=C(OC(C)C)C=C(Br)C(C=O)=C1 BB05-0637 [0,2,0,0,0,0|1,0,1]=4 67 B16R1.49282 CCOC1=C(OC(C)C)C=C(Cl)C(C=O)=C1 BB05-2799 [0,2,0,0,0,0|1,0,1]=4 68 B16R1.49282 CCOC1=CC(C=O)=C(Br)C=C1OC(C)=O BB55-0961 [0,2,0,0,0,0|0,0,0]=2 69 B16R1.49282 CCOC1=CC(C=O)=C(Br)C=C1OC(C)C BB55-0959 [0,2,0,0,0,0|1,0,1]=4 70 B16R1.12738 CCOC1=C(OC(C)CC)C=CC(C=O)=C1 BB17-1891 [0,2,0,0,0,0|1,0,1]=4 71 B16R1.12738 CCOC1=CC(C=O)=CC=C1OC(=O)CC BB05-1295 [0,2,0,0,0,0|0,0,0]=2 72 B14R2.3303 CC1(C)CC2=C(C=CC(C=O)=C2)O1 BB12-1767 [1,0,0,1,0,0|1,0,1]=4 73 B14R2.1101 COC1=CC(C=O)=CC2=C1OCO2 BB54-3749 [1,0,0,1,0,0|0,0,2]=4 74 B14R2.2400 O=CC1=CC2=C(C=C1)OCCCO2 BB57-3912 [1,0,0,1,0,0|0,0,1]=3 75 B14R2.3274 CC1=C(C)C2=CC(C=O)=CC=C2N1 BB57-1031 [1,0,0,1,0,0|2,0,0]=4 76 B16R2.1575 COC1=C2OCC(=O)NC2=CC(C=O)=C1 BB54-5565 [0,0,0,1,0,1|1,0,0]=3 77 B16R2.502 CC(=O)N1CCC2=CC(C(=O)O)=CC=C21 BB54-2521 [0,1,0,1,0,0|2,0,0]=4 78 B14R1.1600 COC1=C(OCC(N)=O)C=CC(N)=C1 BB54-2620 [1,0,0,0,0,1|2,0,0]=4 79 B14R1.3723 COC1=C(OC(C)=O)C=C(C#N)C=C1 BB54-3048 [0,0,0,0,1,1|1,0,1]=4