0 B14R1.744 O=C(O)CC1=CC=CC=C1C(OC)=O AK554545 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.382 O=C(OC)C1=CC=CC=C1CCBr AK130276 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.589 CC(NC1=CC=CC=C1[N+]([O-])=O)=O AK126476 [1,0,0,0,0,0|1,0,1]=3 3 B13R1.589 O=C([O-])C1=CC=CC=C1OC(C)=O AK607896 [1,0,0,0,0,0|1,0,1]=3 4 B15R1.11677 O=C(OC)C1=CC=C(N)C=C1OC(C)C AK601777 [0,1,0,0,0,0|2,0,1]=4 5 B15R2.19309 NC1=NC2=C(S1)C(=CC=C2)C(=O)OC AK-31614 [0,0,0,1,0,0|3,0,0]=4 6 B15R2.19309 O=C(C1=C2C(NC(S)=N2)=CC=C1)OC AK340720 [0,0,0,1,0,0|1,1,1]=4 7 B15R2.19309 O=C(C1=CC=CC2=C1CC(N2)=O)OC AK-86490 [0,0,0,1,0,0|2,0,0]=3 8 B15R2.19309 O=C(C1=CC=CC2=C1NC(C2)=O)OC AK-92484 [0,0,0,1,0,0|0,0,0]=1 9 B13R1.547 O=C(O)C1=CC=CC=C1C(OC)=O AK-48250 [0,0,0,0,1,0|1,0,0]=2 10 B13R1.547 O=C(OC)C1=CC=NC=C1[N+]([O-])=O AK-90207 [0,0,0,0,1,0|3,0,0]=4 11 B13R1.547 OB(C1=CC=CC=C1C(OC)=O)O AK-34910 [0,0,0,0,1,0|2,0,1]=4 12 B12R1.75 C1=CC=CC(=C1CC(O)=O)OC AK-47557 [2,0,0,0,0,0|2,0,0]=4 13 B12R1.77 C1=CC=CC(=C1C(OC)=O)CBr AK-34305 [2,0,0,0,0,0|1,0,1]=4 14 B12R1.77 COC(=O)C1=C(C=CC=C1)C#N AK-82518 [2,0,0,0,0,0|1,0,1]=4 15 B12R1.77 COC1=CC=CN=C1C(=O)OC AK-29044 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.77 O=C(OC)C1=C(OC)N=CC=C1 AK-47108 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.77 O=C(OC)C1=CC=CC=C1C#C AK-64821 [2,0,0,0,0,0|0,0,2]=4 18 B12R1.77 O=C(OC)C1=CC=CC=C1C=O AK-49779 [2,0,0,0,0,0|0,0,0]=2 19 B12R1.77 O=C(OC)C1=CC=CC=C1OC AK-94060 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.283 C1=CC=CC(=C1C(O)=O)OCC AK-47485 [2,0,0,0,0,0|1,0,1]=4 21 B12R1.283 COCC1=C(C=CC=C1)C(O)=O AK-66841 [2,0,0,0,0,0|2,0,0]=4 22 B14R1.814 CC(NC1=CC=CC=C1NC(C)=O)=O AK-86205 [1,1,0,0,0,0|2,0,0]=4 23 B14R1.789 O=C(OC)C1=CC=CC=C1NCC#N AK445558 [1,1,0,0,0,0|0,0,2]=4 24 B14R1.789 OCC#CC1=C(C(=O)OC)C=CC=C1 AK-57152 [1,1,0,0,0,0|1,0,1]=4 25 B14R1.3302 COC(=O)CC1=C(C=CC=C1)C(O)=O AK-38489 [1,1,0,0,0,0|1,0,0]=3 26 B14R1.3302 O=C(O)C1=CC=CC=C1NC(C#N)C AK457935 [1,1,0,0,0,0|1,0,1]=4 27 B14R1.6074 CC(NC1=CC=C(Br)C=C1[N+]([O-])=O)=O AK126338 [1,1,0,0,0,0|1,0,1]=4 28 B14R1.623 O=C(OCC)C1=CC=CC=C1C(C)=O AK124155 [0,1,0,0,1,0|0,0,0]=2 29 B14R1.707 C1=C(C(=CC=C1Cl)[N+](=O)[O-])C(OC)=O AK-47288 [0,1,0,0,1,0|2,0,0]=4 30 B14R1.707 O=C(OC)C1=CC(F)=CC=C1[N+]([O-])=O AK-39891 [0,1,0,0,1,0|2,0,0]=4 31 B14R1.707 O=C(OC)C1=CC(N)=CC=C1[N+]([O-])=O AK-77401 [0,1,0,0,1,0|2,0,0]=4 32 B14R1.745 O=C(OC)C1=CC=CC=C1S(=O)(Cl)=O AK-49631 [0,1,0,0,1,0|2,0,0]=4 33 B14R1.1126 O=C(OC)C1=CC=C(Br)C=C1[N+]([O-])=O AK-64845 [0,1,0,0,1,0|2,0,0]=4 34 B14R1.1153 C1=C(C(=C(C=C1)C)[N+]([O-])=O)C(OC)=O AK-73064 [0,1,0,0,1,0|2,0,0]=4 35 B14R1.1153 COC(=O)C1=C(C(O)=CC=C1)[N+]([O-])=O AK-77566 [0,1,0,0,1,0|2,0,0]=4 36 B14R1.1153 O=C(O)C1=C(C(OC)=O)C=CC=C1Br AK554616 [0,1,0,0,1,0|1,0,0]=3 37 B14R1.1164 COC(=O)C1=C(C)C=CC=C1[N+]([O-])=O AK-35874 [0,1,0,0,1,0|2,0,0]=4 38 B14R1.1164 O=C(OC)C1=C([N+]([O-])=O)C=CC=C1Br AK141782 [0,1,0,0,1,0|2,0,0]=4 39 B14R1.1164 O=C(OC)C1=C([N+]([O-])=O)C=CC=C1O AK-76215 [0,1,0,0,1,0|2,0,0]=4 40 B14R1.748 COC(=O)C1=CC(C(C)=O)=C(N)C=C1 AK-89386 [0,0,1,1,0,0|2,0,0]=4 41 B14R2.8188 O=C1C(O)=C(C)NC2=C1C=CC=C2 AK-94309 [1,0,0,1,0,0|2,0,0]=4 42 B14R2.8188 O=C1NC2=C(C=CC=C2)C(O)=C1C AK152649 [1,0,0,1,0,0|1,0,1]=4 43 B14R2.10782 C1=CC=C2C(=C1C(OC)=O)[NH]C=C2 AK-54054 [1,0,0,1,0,0|0,0,1]=3 44 B14R2.10782 C1=C[NH]C2=C1C(=CC=C2)C(OC)=O AK-30347 [1,0,0,1,0,0|2,0,0]=4 45 B14R2.10782 COC(=O)C1=CC=CC2=C1N=CO2 AK100258 [1,0,0,1,0,0|0,0,2]=4 46 B14R2.10782 COC(=O)C1=CC=CC2=C1OC=N2 AK100260 [1,0,0,1,0,0|2,0,0]=4 47 B14R2.10782 COC(=O)C1=CC=CC2=C1SC=N2 AK-31618 [1,0,0,1,0,0|2,0,0]=4 48 B14R2.10782 O=C(C1=C2C(NC=N2)=CC=C1)OC AK-79020 [1,0,0,1,0,0|1,0,1]=4 49 B14R2.10782 O=C(C1=CC=CC2=C1CNC2)OC AK-77906 [1,0,0,1,0,0|2,0,0]=4 50 B14R2.10782 O=C(C1=CC=CC2=C1NN=C2)OC AK-36301 [1,0,0,1,0,0|1,0,1]=4 51 B14R2.712 O=C(C1=C2NC(NC2=CC=C1)=S)O AK162591 [1,0,0,1,0,0|1,1,0]=4 52 B14R2.712 O=C(C1=CC=CC2=C1CC(N2)=O)O AK-98654 [1,0,0,1,0,0|2,0,0]=4 53 B14R2.712 O=C1NC2=C(C=CC=C2[N+]([O-])=O)C1 AK-34367 [1,0,0,1,0,0|1,0,1]=4 54 B14R2.712 OC(=O)C1=CC=CC2=C1NC(=O)N2 AK110657 [1,0,0,1,0,0|1,0,0]=3 55 B14R2.25733 BrC1=CN(C(C)=O)C2=C1C=CC=C2 AK209689 [1,0,0,1,0,0|1,0,1]=4 56 B14R2.25733 O=C1CN(C(C)=O)C2=C1C=CC=C2 AK-60518 [1,0,0,1,0,0|0,0,0]=2 57 B14R2.24350 O=C(C1=CC=CC=2CCC(C21)=O)O AK-38617 [0,0,0,1,1,0|2,0,0]=4 58 B16R2.33951 O=C(C1=CC(NC2=C1C=CC=C2)=O)OC AK149857 [0,0,0,1,0,1|0,0,1]=3 59 B16R2.39178 CC(C1=C2C=CC=CC2=C(OC)C=C1)=O AK117355 [0,1,0,1,0,0|2,0,0]=4 60 B16R2.16076 CC(NC1=CC=CC=2C(OC(C21)=O)=O)=O AK162357 [0,1,0,1,0,0|0,0,1]=3 61 B16R2.33942 O=C(C1CCC(C2=C1C=CC=C2)=O)OC AK119568 [0,1,0,1,0,0|2,0,0]=4 62 B16R2.172725 O=C(C1=CC=CC2=C1NC(C2=O)=O)OC AK-32111 [0,1,0,1,0,0|0,0,1]=3 63 B12R1.261 C1=CC=CC(=C1C(C)=O)[N+](=O)[O-] AK-54010 [1,0,0,0,1,0|1,0,1]=4 64 B12R1.261 CN(C)C1=C(C=CC=C1)C(O)=O AK-77302 [1,0,0,0,1,0|2,0,0]=4 65 B12R1.261 O=C(C1=C(C(O)=O)C=CN=C1)O AK-46120 [1,0,0,0,1,0|2,0,0]=4 66 B12R1.261 O=C(C1=NC=CC=C1C(O)=O)O AK-50219 [1,0,0,0,1,0|2,0,0]=4 67 B12R1.261 O=C(N)C1=CC=CC=C1C(N)=O AK126469 [1,0,0,0,1,0|2,0,0]=4 68 B12R1.261 O=C(O)C1=CC=CC=C1[N+]([O-])=O AK-49895 [1,0,0,0,1,0|2,0,0]=4 69 B12R1.368 O=C(C1=C(C(OC)=O)SC=C1)O AK137276 [0,0,0,0,2,0|2,0,0]=4 70 B14R1.4522 O=C(O)C1=CC=CC=C1CCC(O)=O AK-36366 [1,0,0,0,0,1|2,0,0]=4 71 B14R1.733 O=C(O)CC1=CC=CC(C(OC)=O)=C1 AK222883 [0,0,0,0,1,1|2,0,0]=4