0 B13R2.12159 CC1(C)NC(=O)C2=C1C=CC=C2 G-7596 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.12159 O=C1OI(=O)(O)C2=CC=CC=C12 H-8330 [0,0,0,0,0,0|2,0,1]=3 2 B12R2.2028 O=C1NC(=O)C2=C1C=CN=C2 P50991 [1,0,0,0,0,0|2,0,0]=3 3 B12R2.2403 O=S1(=O)NCC2=C1C=CC=C2 O29991 [1,0,0,0,0,0|0,0,1]=2 4 B14R2.4643 CC1(C)NC(=O)C2=C1C=CC(Br)=C2 I-9407 [0,1,0,0,0,0|3,0,0]=4 5 B14R2.4643 CC1(C)NC(=O)C2=CC(N)=CC=C21 L18483 [0,1,0,0,0,0|3,0,0]=4 6 B14R2.4643 O=C1NS(=O)(=O)C2=C1C=C(Br)C=C2 10659 [0,1,0,0,0,0|0,0,0]=1 7 B14R2.8732 CC1(C)NC(=O)C2=CC=C(Br)C=C21 L22518 [0,1,0,0,0,0|3,0,0]=4 8 B14R2.8732 CC1(C)NC(=O)C2=CC=C(Cl)C=C21 L14565 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 P38384 [0,0,1,0,0,0|2,0,1]=4 10 B12R1.39 O=S(=O)(CCBr)C1=CC=CC=C1 P38378 [0,0,1,0,0,0|2,0,1]=4 11 B12R1.76 C#CC1=CC=CC=C1S(C)(=O)=O O32142 [0,0,1,0,0,0|2,0,1]=4 12 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O Q68876 [0,0,1,0,0,0|2,0,1]=4 13 B12R1.261 O=C(O)C1=CC=CC=C1I(=O)=O P36868 [0,0,1,0,0,0|2,0,0]=3 14 B14R2.29496 O=C1CS(=O)(=O)NC2=C1C=CC=C2 L20476 [0,0,0,0,0,1|1,0,0]=2 15 B11R1.7 CNS(=O)(=O)C1=CC=CN=C1 Q52495 [1,0,1,0,0,0|1,0,1]=4 16 B11R1.7 NNS(=O)(=O)C1=CC=CN=C1 Q52494 [1,0,1,0,0,0|2,0,0]=4 17 B11R1.16 CONC(=O)C1=CC=CC=C1 Q65648 [1,0,1,0,0,0|1,1,0]=4 18 B11R1.53 C#CC1=CC=CC=C1C(N)=O O29403 [1,0,1,0,0,0|2,0,0]=4 19 B11R1.53 COC1=CC=CC=C1C(N)=O P39422 [1,0,1,0,0,0|1,1,0]=4 20 B11R1.87 CC1=CC=CN=C1S(N)(=O)=O P51681 [1,0,1,0,0,0|1,0,1]=4 21 B11R1.87 CS(=O)(=O)C1=CC=CC=C1Br P51334 [1,0,1,0,0,0|2,0,0]=4 22 B11R1.87 NS(=O)(=O)C1=NC=CC=C1Br P51748 [1,0,1,0,0,0|2,0,0]=4 23 B11R1.87 NS(=O)(=O)C1=NC=CC=C1F Q58413 [1,0,1,0,0,0|2,0,0]=4 24 B11R2.1 O=C1NCC2=C1C=CC=C2 I-9101 [2,0,0,0,0,0|1,0,0]=3 25 B11R2.1 O=C1NCC2=CC=NC=C12 C-2838 [2,0,0,0,0,0|2,0,0]=4 26 B11R2.1 O=C1SNC2=CC=CC=C12 L18705 [2,0,0,0,0,0|2,0,0]=4 27 B13R1.349 NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-] Q70061 [0,1,1,0,0,0|1,0,0]=3 28 B13R2.4857 NC1=CC=CC2=C1C(=O)OC2=O O34033 [1,1,0,0,0,0|2,0,0]=4 29 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2O L14031 [1,1,0,0,0,0|2,0,0]=4 30 B13R2.5187 O=C1NC(=O)C2=C1C=CC(F)=C2 S72716 [1,1,0,0,0,0|1,0,0]=3 31 B13R2.5187 O=C1NC(=O)C2=CC(Br)=CC=C12 G-5547 [1,1,0,0,0,0|1,0,0]=3 32 B15R2.13973 O=S1(=O)NC(=S)NC2=C1C=C(F)C=C2 L20319 [0,1,0,0,0,1|0,1,0]=3 33 B13R2.222 O=S1(=O)CC2=CC=CC=C2CN1 Q69419 [1,0,0,0,0,1|0,0,1]=3