0 B14R1.101 COC1=C(OC(C)=O)C=CC(C=O)=C1 BB55-1002 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.101 COC1=CC(C=O)=CC=C1OC(C)C BB01-4045 [0,0,0,0,0,0|1,0,1]=2 2 B14R1.101 COC1=CC(C=O)=CC=C1OC(C)C BB05-0085 [0,0,0,0,0,0|1,0,1]=2 3 B14R1.101 COC1=CC(C=O)=CC=C1OC(F)F BB05-1251 [0,0,0,0,0,0|2,0,1]=3 4 B13R1.1249 CCOC1=C(OC)C=C(C=O)C=C1 BB01-4067 [1,0,0,0,0,0|0,0,1]=2 5 B13R1.1249 CCOC1=CC=C(C=O)C=C1OC BB05-2784 [1,0,0,0,0,0|0,0,1]=2 6 B15R1.37 COC1=C(OC(C)=O)C=CC(C(=O)O)=C1 BB01-5986 [0,1,0,0,0,0|0,0,0]=1 7 B15R1.37 COC1=C(OC(C)C)C=CC([N+](=O)[O-])=C1 BB57-5429 [0,1,0,0,0,0|2,0,1]=4 8 B15R1.37 COC1=CC(C(=O)O)=CC=C1OC(C)C BB55-4321 [0,1,0,0,0,0|1,0,1]=3 9 B15R1.37 COC1=CC(C(=O)O)=CC=C1OC(F)F BB05-1431 [0,1,0,0,0,0|2,0,1]=4 10 B15R1.712 COC1=C(OC(C)=O)C(Br)=CC(C=O)=C1 BB05-0577 [0,1,0,0,0,0|0,0,0]=1 11 B15R1.712 COC1=C(OC(C)=O)C(Cl)=CC(C=O)=C1 BB05-0560 [0,1,0,0,0,0|0,0,0]=1 12 B15R1.712 COC1=C(OC(C)C)C(Br)=CC(C=O)=C1 BB55-0968 [0,1,0,0,0,0|1,0,1]=3 13 B15R1.712 COC1=C(OC(C)C)C(Cl)=CC(C=O)=C1 BB05-0562 [0,1,0,0,0,0|1,0,1]=3 14 B15R1.712 COC1=CC(C=O)=CC(Cl)=C1OC(C)=O BB57-7185 [0,1,0,0,0,0|0,0,0]=1 15 B15R1.712 COC1=CC(C=O)=CC(I)=C1OC(C)=O BB57-7182 [0,1,0,0,0,0|0,0,0]=1 16 B15R1.1822 COC1=C(OC(C)=O)C=C(Br)C(C=O)=C1 BB05-0623 [0,1,0,0,0,0|0,0,0]=1 17 B15R1.1822 COC1=C(OC(C)=O)C=C(Br)C(C=O)=C1 BB17-1446 [0,1,0,0,0,0|0,0,0]=1 18 B15R1.1822 COC1=C(OC(C)C)C=C(Br)C(C=O)=C1 BB05-0625 [0,1,0,0,0,0|1,0,1]=3 19 B15R1.1902 CCC(=O)OC1=C(OC)C=C(C=O)C=C1 BB55-1001 [0,1,0,0,0,0|0,0,0]=1 20 B15R1.1902 CCC(C)OC1=C(OC)C=C(C=O)C=C1 BB17-1890 [0,1,0,0,0,0|1,0,1]=3 21 B15R1.1902 COC1=CC(OC)=C(NC(=O)CCl)C=C1 BB53-1224 [0,1,0,0,0,0|3,0,0]=4 22 B15R1.9239 CCOC1=C(OC(C)=O)C=CC(C=O)=C1 BB55-1010 [0,1,0,0,0,0|0,0,0]=1 23 B15R1.9239 CCOC1=C(OC(C)C)C=CC(C=O)=C1 BB01-4056 [0,1,0,0,0,0|1,0,1]=3 24 B15R1.9239 CCOC1=CC(C=O)=CC=C1OC(C)C BB05-0094 [0,1,0,0,0,0|1,0,1]=3 25 B13R1.99 COC1=CC=C(C(C)=O)C(OC)=C1 BB17-1103 [0,0,0,0,1,0|2,0,0]=3 26 B15R1.1904 COC1=C(OCC(=O)O)C=CC(C=O)=C1 BB05-0520 [0,0,0,0,0,1|1,0,0]=2 27 B15R1.1904 COC1=C(OCC(=O)O)C=CC(C=O)=C1 BB55-3503 [0,0,0,0,0,1|1,0,0]=2 28 B15R1.1904 COC1=C(OCC(C)C)C=CC(C=O)=C1 BB01-4053 [0,0,0,0,0,1|1,0,1]=3 29 B15R1.1904 COC1=C(OCC(N)=O)C=CC(C=O)=C1 BB05-0108 [0,0,0,0,0,1|1,0,0]=2 30 B15R1.1904 COC1=CC(C=O)=CC=C1OCC(C)C BB05-0092 [0,0,0,0,0,1|1,0,1]=3 31 B15R1.1904 COC1=CC(C=O)=CC=C1OCC(N)=O BB01-4049 [0,0,0,0,0,1|1,0,0]=2 32 B12R1.233 CC(=O)NC1=C(C)C=C(Br)C=C1 BB17-2507 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C BB20-1418 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 BB58-3546 [2,0,0,0,0,0|0,0,0]=2 35 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 BB01-6361 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 BB05-0095 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.114 CCOC1=C(Cl)C=C(C=O)C=C1 BB17-1294 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.114 CCOC1=CC=C(C=O)C=C1Br BB17-1188 [2,0,0,0,0,0|1,0,1]=4 39 B12R1.78 COC1=C(CCl)C=C(C=O)C=C1 BB55-0046 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 BB17-1793 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.78 COC1=C(OC)C=C(CN)C=C1 BB17-1113 [2,0,0,0,0,0|1,0,1]=4 42 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 BB01-6047 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.78 COC1=CC=C(C=O)C=C1CO BB57-7157 [2,0,0,0,0,0|2,0,0]=4 44 B14R1.560 CC(=O)OC1=C(Br)C=C(C=O)C=C1Br BB57-7178 [1,1,0,0,0,0|1,0,0]=3 45 B14R1.560 CC(=O)OC1=C(I)C=C(C=O)C=C1I BB57-7179 [1,1,0,0,0,0|1,0,0]=3 46 B14R1.1355 C=CCOC1=C(OC)C=C(C=O)C=C1 BB55-0798 [1,1,0,0,0,0|0,0,1]=3 47 B14R1.1355 CCCOC1=CC=C(C=O)C=C1OC BB01-4043 [1,1,0,0,0,0|0,0,1]=3 48 B14R1.1355 CCCOC1=CC=C(C=O)C=C1OC BB05-0082 [1,1,0,0,0,0|0,0,1]=3 49 B14R1.1355 COC1=C(OCC#N)C=CC(C=O)=C1 BB05-0523 [1,1,0,0,0,0|0,0,2]=4 50 B14R1.1355 COC1=C(OCC#N)C=CC(C=O)=C1 BB57-6382 [1,1,0,0,0,0|0,0,2]=4 51 B14R1.5236 CCOC1=C(OCC)C=C(C=O)C=C1 BB01-4054 [1,1,0,0,0,0|0,0,1]=3 52 B14R1.5236 CCOC1=CC=C(C=O)C=C1OCC BB05-0090 [1,1,0,0,0,0|0,0,1]=3 53 B14R1.14885 CCOC1=C(Br)C=C(C=O)C=C1OC BB55-0970 [1,1,0,0,0,0|0,0,1]=3 54 B14R1.14885 CCOC1=C(Cl)C=C(C=O)C=C1OC BB05-0556 [1,1,0,0,0,0|0,0,1]=3 55 B16R1.9044 CCOC1=C(OCC(C)C)C=CC(C=O)=C1 BB05-2862 [0,1,0,0,0,1|1,0,1]=4 56 B16R1.9044 CCOC1=CC(C=O)=CC=C1OCC(N)=O BB01-4164 [0,1,0,0,0,1|1,0,0]=3 57 B16R1.13466 C\C=C\C1=CC(OC)=C(OCC(=O)O)C=C1 BB57-6645 [0,1,0,0,0,1|2,0,0]=4 58 B16R1.14579 COC1=C(OCC(=O)O)C(Br)=CC(C=O)=C1 BB05-0574 [0,1,0,0,0,1|1,0,0]=3 59 B16R1.14579 COC1=CC(C=O)=CC(Br)=C1OCC(=O)O BB17-1599 [0,1,0,0,0,1|1,0,0]=3 60 B16R1.18494 COC1=C(OCC(N)=O)C=CC([N+](=O)[O-])=C1 BB57-5378 [0,1,0,0,0,1|2,0,0]=4 61 B16R1.18494 COC1=CC(C(=O)O)=CC=C1OCC(C)C BB55-4323 [0,1,0,0,0,1|1,0,1]=4 62 B16R1.20196 COC1=CC(C=O)=CC=C1OC(C)C(=O)O BB05-2906 [0,1,0,0,0,1|1,0,0]=3 63 B16R1.438 COC1=CC(C(=O)O)=CC(Br)=C1OC(C)C BB55-4373 [0,2,0,0,0,0|1,0,1]=4 64 B16R1.18493 COC1=C(NC(=O)CCl)C=CC([N+](=O)[O-])=C1 BB57-6581 [0,2,0,0,0,0|2,0,0]=4 65 B16R1.20023 COC1=CC(C(=O)O)=C(Br)C=C1OC(C)C BB55-4371 [0,2,0,0,0,0|1,0,1]=4 66 B16R1.4050 CCOC1=CC(C=O)=CC(Br)=C1OC(C)=O BB57-7183 [0,2,0,0,0,0|0,0,0]=2 67 B16R1.4050 CCOC1=CC(C=O)=CC(Cl)=C1OC(C)=O BB57-7184 [0,2,0,0,0,0|0,0,0]=2 68 B16R1.4050 CCOC1=CC(C=O)=CC(I)=C1OC(C)=O BB57-7181 [0,2,0,0,0,0|0,0,0]=2 69 B16R1.12738 CCOC1=C(OC(=O)CC)C=CC(C=O)=C1 BB55-1009 [0,2,0,0,0,0|0,0,0]=2 70 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 BB01-8306 [1,0,0,0,1,0|2,0,0]=4 71 B12R1.452 O=CC1=CC(O)=C([N+](=O)[O-])C=C1 BB17-2266 [1,0,0,0,1,0|2,0,0]=4 72 B14R1.3723 COC1=CC=C(C=O)C=C1OC(C)=O BB57-7176 [0,0,0,0,1,1|0,0,0]=2 73 B14R1.3723 COC1=CC=C(C=O)C=C1OC(C)C BB55-0934 [0,0,0,0,1,1|1,0,1]=4 74 B16R1.1772 COC1=CC(C=O)=CC=C1OCCC(C)C BB01-4044 [0,0,0,0,0,2|1,0,1]=4