0 B11R1.21 CC1=C(N)C=CC([N+](=O)[O-])=C1 14449 [1,0,0,0,0,0|2,0,1]=4 1 B11R1.21 O=C(O)C1=CC=C(Cl)C(F)=N1 100669 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 100748 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.21 O=C(O)C1=CC=C(F)C(F)=N1 100666 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 21496 [1,0,0,0,0,0|0,0,0]=1 5 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 100661 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.266 COC1=CC=CC(C(=O)O)=C1 18168 [1,0,0,0,0,0|0,0,0]=1 7 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 21793 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.280 COC1=CC(CN)=CC=C1O 15578 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(O)C=C1 20072 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.3230 CCC1=C(Cl)C=CC(C(=O)O)=C1Cl 101316 [0,1,0,0,0,0|2,0,0]=3 11 B13R1.52 COC1=CC(CC(=O)O)=CC=C1Br 16554 [0,0,0,0,0,1|1,0,0]=2 12 B10R0.83 COC(=O)\C(O)=C\C=C\C=O 13484 [1,0,1,0,0,0|1,0,0]=3 13 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15778 [2,0,0,0,0,0|1,0,0]=3 14 B10R1.13 O=C(O)C1=CC=C(F)C=C1 101191 [2,0,0,0,0,0|1,0,0]=3 15 B10R1.13 O=C(O)C1=CC=C(F)C=N1 100749 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.13 O=C(O)C1=CC=C(O)C=C1 15302 [2,0,0,0,0,0|0,0,0]=2 17 B10R1.13 O=C(O)C1=CN=C(F)C=C1 100678 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 101615 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 20068 [2,0,0,0,0,0|1,0,1]=4 20 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 15663 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.113 NC(=O)C1=CC=CC(F)=C1 102469 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.113 O=C(O)C1=CC(F)=NC=C1 100685 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.113 O=C(O)C1=CC(O)=CC=C1 18167 [2,0,0,0,0,0|0,0,0]=2 24 B10R1.113 O=C(O)C1=CC=CC(F)=N1 100675 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.113 O=C(O)C1=CN=CC(F)=C1 100682 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.176 NCC1=CC(O)=C(O)C=C1 20755 [2,0,0,0,0,0|1,0,1]=4 27 B10R1.176 O=CC1=CC=C(Cl)C(Cl)=C1 15845 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.232 CC1=CC(C(=O)O)=C(C)C=C1Br 17349 [1,1,0,0,0,0|1,0,0]=3 29 B12R1.232 O=C(O)C1=C(Br)C=C(Br)C(Br)=C1 101407 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.232 O=C(O)C1=C(F)C=C(F)C(Br)=C1 102778 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.232 O=C(O)C1=C(F)C=C(O)C(F)=C1 100047 [1,1,0,0,0,0|1,0,0]=3 32 B12R1.232 O=C(O)C1=CC(F)=C(F)C=C1O 102819 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.232 O=C(O)C1=CC(F)=C(I)C=C1F 102975 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.232 O=C(O)C1=CC(I)=C(F)C=C1F 102970 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.232 O=C(O)C1=CC(O)=C(F)C=C1F 100027 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.893 CC(=O)C1=CC=C(O)C(C)=C1O 899 [1,1,0,0,0,0|1,0,0]=3 37 B12R1.893 CC1=C(O)C=CC([N+](=O)[O-])=C1O 898 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.893 NC1=C(Cl)C=CC(C(=O)O)=C1Cl 101313 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(Cl)C=C1 102784 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.893 O=C(O)C1=C(Cl)C(O)=C(Cl)C=C1 100051 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.893 O=C(O)C1=C(F)C(F)=C(Br)C=C1 102785 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.893 O=C(O)C1=C(O)C(Cl)=C(F)C=C1 100038 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.893 O=C(O)C1=CC=C(Cl)C(Cl)=C1Cl 100015 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.893 O=C(O)C1=CC=C(F)C(F)=C1F 100052 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.893 O=C(O)C1=CC=C(F)C(F)=C1O 102821 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.893 O=C(O)C1=CC=C(I)C(F)=C1F 102056 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.893 O=C(O)C1=CC=C(I)C(I)=C1F 102050 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.893 O=C(O)C1=CC=C(O)C(Cl)=C1F 100033 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.893 O=C(O)C1=CC=C(O)C(F)=C1F 102823 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.1005 CC1=C(O)C=C(C(=O)O)C=C1O 849 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.1005 O=C(O)C1=CC(F)=C(Br)C(F)=C1 102779 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.258 CC(=O)C1=CC=CC(C(=O)O)=C1 21792 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.258 CC(=O)C1=CC=CC(C(C)=O)=C1 11082 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.258 O=C(O)C1=CC=CC(C(=O)O)=C1 11233 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.440 COC1=C(C)C([N+](=O)[O-])=CC=C1 22236 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.440 COC1=C(F)C(C(=O)O)=CC=C1 102206 [1,1,0,0,0,0|0,0,0]=2 57 B12R1.440 O=C(O)C1=CC=CC(CO)=C1F 101179 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.453 COC1=CC=C(C)C(C(=O)O)=C1 16549 [1,1,0,0,0,0|0,0,0]=2 59 B12R1.453 COC1=CC=C(Cl)C(C(=O)O)=C1 102482 [1,1,0,0,0,0|0,0,0]=2 60 B12R1.453 O=C(O)C1=C(F)C=CC(CO)=C1 101169 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.78 COC1=CC=C(C=O)C=C1OC 15846 [1,1,0,0,0,0|0,0,0]=2 62 B12R1.449 O=CC1=CC(C=O)=C(O)C=C1O 825 [1,1,0,0,0,0|2,0,0]=4 63 B14R1.6045 CN(C)C1=C(Cl)C=CC(C(=O)O)=C1Cl 101325 [0,2,0,0,0,0|2,0,0]=4 64 B14R1.350 COC1=CC(C(=O)O)=CC(O)=C1OC 15483 [0,2,0,0,0,0|0,0,0]=2 65 B14R1.1851 COC1=C(OC)C=C(C(=O)O)C(C)=C1 15238 [0,2,0,0,0,0|0,0,0]=2 66 B12R1.283 CC=CC1=CC=CC=C1C(=O)O 16550 [0,0,1,1,0,0|2,0,0]=4 67 B12R1.283 C\C=C\C1=CC=CC=C1C(=O)O 16556 [0,0,1,1,0,0|2,0,0]=4 68 B12R2.326 COC1=CC=C2CC(=O)C2=C1 16234 [1,0,0,1,0,0|1,0,0]=3 69 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 11836 [1,0,0,1,0,0|1,0,1]=4 70 B12R2.44 O=CC1=CC=C2OCOC2=C1 15840 [1,0,0,1,0,0|0,0,0]=2 71 B14R2.624 CC1=CC2=C(C=C1C(=O)O)OCO2 15226 [0,1,0,1,0,0|0,0,0]=2 72 B14R2.11593 COC1=C(OC)C=C2C(=O)CC2=C1 16244 [0,1,0,1,0,0|1,0,0]=3 73 B14R3.8268 O=C1CC2=CC3=C(C=C12)OCO3 16232 [0,0,0,2,0,0|1,0,0]=3 74 B14R1.42 COC1=C(O)C=CC(\C=C\C(C)=O)=C1 19391 [0,0,0,0,0,2|1,0,0]=3