0 B13R2.12159 CC1(CC(=O)C2=CC=CC=C12)C CNP0322287.0 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.12159 CC1(OC(=O)C2=CC=CC=C12)C CNP0053854.0 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.12159 O=C1NS(=O)(=O)C2=CC=CC=C12 CNP0151101.0 [0,0,0,0,0,0|0,0,0]=0 3 B13R2.12159 O=C1NS(=O)(=O)C2=CC=CC=C12 CNP0489886.0 [0,0,0,0,0,0|0,0,0]=0 4 B13R2.12159 O=C1OS(=O)(=O)C2=CC=CC=C12 CNP0085656.0 [0,0,0,0,0,0|1,0,0]=1 5 B13R2.12159 O=S1(=O)N=C(C2=CC=CC=C12)O CNP0540961.0 [0,0,0,0,0,0|0,0,2]=2 6 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.2028 O=C1C=[N+](C2=CC=CC=C12)[O-] CNP0507370.0 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.2028 O=C1NC(=O)C2=NC=CC=C12 CNP0042197.0 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 CNP0332462.0 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 CNP0256894.0 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.2028 O=C1OC(C2=CC=CC=C12)O CNP0079973.0 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.2028 O=C1O[C@@H](C2=CC=CC=C12)Cl CNP0223454.2 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.2028 O=C1O[C@H](C2=CC=CC=C12)Cl CNP0223454.1 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.2028 O=C1SC(=O)C2=CC=CC=C12 CNP0455995.0 [1,0,0,0,0,0|2,0,0]=3 16 B14R2.57380 CN1C(=O)C2=CC=CC=C2S1(=O)=O CNP0348289.0 [0,1,0,0,0,0|0,0,0]=1 17 B12R1.39 CSCS(=O)(=O)C1=CC=CC=C1 CNP0359925.0 [0,0,1,0,0,0|3,0,0]=4 18 B12R1.76 C=CC1=CC=CC=C1S(=O)(=O)N CNP0058101.0 [0,0,1,0,0,0|1,0,0]=2 19 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,0,1,0,0,0|3,0,0]=4 20 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O CNP0538877.0 [0,0,1,0,0,0|2,0,1]=4 21 B12R1.261 NC(=O)C1=CC=CN=C1C(=O)N CNP0191501.0 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.261 NC(=O)C1=CC=CN=C1C(=O)O CNP0160863.0 [0,0,1,0,0,0|2,0,1]=4 23 B12R1.261 NC(=O)C1=NC=CC=C1C(=O)O CNP0226024.0 [0,0,1,0,0,0|2,0,1]=4 24 B12R1.261 O=C(O)C1=CC=CC=C1C(=O)O CNP0324589.0 [0,0,1,0,0,0|2,0,1]=4 25 B12R1.261 [18O]=C([18OH])C1=CC=CC=C1C(=[18O])[18OH] CNP0530779.0 [0,0,1,0,0,0|2,0,1]=4 26 B14R2.29496 CC1(NC(=O)C2=CC=CC=C2N1)C CNP0087140.0 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.16 CN(NC=O)C1=CC=CC=C1 CNP0145841.0 [1,0,1,0,0,0|2,0,0]=4 28 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [1,0,1,0,0,0|1,0,0]=3 29 B11R1.53 CNC1=CC=CC=C1C(=O)N CNP0211327.0 [1,0,1,0,0,0|2,0,0]=4 30 B11R1.53 NC(=O)C1=CC=CC=C1NO CNP0577643.0 [1,0,1,0,0,0|1,0,1]=4 31 B11R1.53 O=CC1=CC=CC=C1C(=O)O CNP0610125.0 [1,0,1,0,0,0|1,0,1]=4 32 B11R1.53 O=NC1=CC=CC=C1C(=O)O CNP0076644.0 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.87 CC1=CC=CC=C1S(=O)(=O)N CNP0258970.0 [1,0,1,0,0,0|0,0,1]=3 34 B11R1.87 NC1=CC=CC=C1S(=O)(=O)N CNP0271391.0 [1,0,1,0,0,0|1,0,0]=3 35 B11R1.87 O=S(=O)(O)C1=CC=CC=C1O CNP0450543.0 [1,0,1,0,0,0|1,0,1]=4 36 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [2,0,0,0,0,0|2,0,0]=4 37 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [2,0,0,0,0,0|2,0,0]=4 38 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [2,0,0,0,0,0|2,0,0]=4 39 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [2,0,0,0,0,0|1,1,0]=4 40 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [2,0,0,0,0,0|1,0,1]=4 41 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [2,0,0,0,0,0|1,0,0]=3 42 B11R2.1 O=C1NN=C2N1C=CC=C2 CNP0087061.0 [2,0,0,0,0,0|2,0,0]=4 43 B11R2.1 O=C1NNC2=CC=CN=C12 CNP0001333.0 [2,0,0,0,0,0|2,0,0]=4 44 B11R2.1 O=C1NNC2=CN=CC=C12 CNP0001339.0 [2,0,0,0,0,0|2,0,0]=4 45 B11R2.1 O=C1NNC2=NC=CC=C12 CNP0343378.0 [2,0,0,0,0,0|2,0,0]=4 46 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [2,0,0,0,0,0|0,0,1]=3 47 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [2,0,0,0,0,0|2,0,0]=4 48 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)C CNP0057972.0 [0,1,1,0,0,0|1,0,1]=4 49 B13R1.347 CC(=O)NS(=O)(=O)C1=CC=CC=C1 CNP0070980.0 [0,1,1,0,0,0|0,0,0]=2 50 B13R1.2819 CCNS(=O)(=O)C1=CC=CC=C1C CNP0457888.0 [0,1,1,0,0,0|1,0,1]=4 51 B13R1.349 NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-] CNP0525065.0 [0,1,1,0,0,0|1,0,0]=3 52 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1=O CNP0399263.0 [1,1,0,0,0,0|1,0,0]=3 53 B13R2.3085 CN1C(=O)C2=CC=CC=C2[C@@H]1O CNP0068358.2 [1,1,0,0,0,0|1,0,1]=4 54 B13R2.3085 CN1C(=O)C2=CC=CC=C2[C@H]1O CNP0068358.1 [1,1,0,0,0,0|1,0,1]=4 55 B13R2.4857 CC1=CC=CC2=C1C(=O)NC2=O CNP0169036.0 [1,1,0,0,0,0|1,0,0]=3 56 B13R2.4857 CC1=CC=CC2=C1C(=O)OC2=O CNP0034587.0 [1,1,0,0,0,0|2,0,0]=4 57 B15R2.13973 CC1=NC2=CC=C(C=C2S(=O)(=O)N1)Cl CNP0528697.0 [0,1,0,0,0,1|1,0,0]=3 58 B15R2.13973 CC1=NS(=O)(=O)C2=CC(=CC=C2N1)Cl CNP0139815.0 [0,1,0,0,0,1|1,0,1]=4 59 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 CNP0028027.0 [0,0,1,1,0,0|2,0,0]=4 60 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 CNP0350009.0 [0,0,1,1,0,0|2,0,0]=4 61 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,0,1,0,1,0|2,0,0]=4 62 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [0,0,1,0,1,0|2,0,0]=4 63 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [0,0,1,0,1,0|2,0,0]=4 64 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [0,0,1,0,1,0|1,0,1]=4 65 B11R2.54 O=C1C(=O)C2=CC=CC=C12 CNP0458247.0 [1,0,0,0,1,0|1,0,0]=3 66 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [1,0,0,0,1,0|2,0,0]=4 67 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [1,0,0,0,1,0|2,0,0]=4 68 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 CNP0232667.0 [0,0,1,0,0,1|2,0,0]=4 69 B13R1.45 NC(=O)NNC(=O)C1=CC=CC=C1 CNP0065171.0 [0,0,1,0,0,1|2,0,0]=4 70 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 CNP0201196.0 [0,0,1,0,0,1|1,0,1]=4 71 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 CNP0191800.0 [0,0,1,0,0,1|2,0,0]=4 72 B13R1.348 NC(=O)NC(=O)OC1=CC=CC=C1 CNP0150119.0 [0,0,1,0,0,1|2,0,0]=4 73 B13R1.589 CC(=O)NC1=CC=CC=C1C(=O)N CNP0262183.0 [0,0,1,0,0,1|2,0,0]=4