0 B13R1.643 CC(=O)OCC1=CC(=CC=C1)C#N BOG00135 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.226 CC(=O)NNC1=CC=CC(=C1)Cl PH007201 [1,0,0,0,0,0|3,0,0]=4 2 B12R1.226 N=C(N)SCC1=CC(=CC=C1)Cl S533416 [1,0,0,0,0,0|3,0,0]=4 3 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [1,0,0,0,0,0|3,0,0]=4 4 B14R1.75 COC1=CC=CC(=C1)CN(C)C(=N)N PH014485 [0,1,0,0,0,0|3,0,0]=4 5 B14R1.77 COC(=O)CCC1=CC(=CC=C1)CN PH019015 [0,1,0,0,0,0|2,0,0]=3 6 B14R1.77 COC1=CC=CC(=C1)CNC(=O)CCl TMT00615 [0,1,0,0,0,0|3,0,0]=4 7 B14R1.6355 CC(=O)OCC1=CC(=CC=C1)C(=S)N BOG00234 [0,1,0,0,0,0|2,0,1]=4 8 B14R2.11684 CC1=CC=C2C=CC=C(C2=N1)NN PH018443 [0,0,0,1,0,0|2,0,1]=4 9 B12R1.438 CC(=O)NC1=CC(=CC=C1)CO EME00277 [0,0,0,0,1,0|2,0,0]=3 10 B12R1.438 CC(=O)NC1=CC=CC(=C1)CN CDS010992 [0,0,0,0,1,0|1,0,0]=2 11 B12R1.438 CCC1=CC(=CC=C1)NC(=O)C PH007204 [0,0,0,0,1,0|2,0,0]=3 12 B12R1.438 CN(C)CC1=CC(=CC=C1)CN CBR02345 [0,0,0,0,1,0|2,0,0]=3 13 B12R1.438 COC1=CC(=CC=C1)NC(=S)C PH008496 [0,0,0,0,1,0|3,0,0]=4 14 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S312428 [0,0,0,0,1,0|3,0,0]=4 15 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S389684 [0,0,0,0,1,0|3,0,0]=4 16 B12R1.438 CSC1=CC=CC(=C1)NC(=O)C S545570 [0,0,0,0,1,0|3,0,0]=4 17 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [2,0,0,0,0,0|2,0,0]=4 18 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [2,0,0,0,0,0|1,0,1]=4 19 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [2,0,0,0,0,0|1,0,1]=4 20 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [2,0,0,0,0,0|1,0,1]=4 22 B11R1.189 CCNC1=CC(=CC=C1)CC PH012321 [2,0,0,0,0,0|1,0,1]=4 23 B11R1.189 COCC1=CC=CC(=C1)CBr CDS024084 [2,0,0,0,0,0|2,0,0]=4 24 B13R1.511 N=C(N)NCC1=CC(=C(C=C1)Cl)Cl PH014599 [1,1,0,0,0,0|2,0,0]=4 25 B13R1.666 COCCOC1=CC=CC(=C1)CN CDS022801 [1,1,0,0,0,0|2,0,0]=4 26 B13R1.52 CCC1=C(C=CC(=C1)NC(=O)C)Br S751863 [0,1,0,0,1,0|2,0,0]=4 27 B13R1.373 CC(=O)NC1=CC=CC(=C1)CCO PH016322 [0,1,0,0,1,0|2,0,0]=4 28 B13R1.373 CCNC1=CC=CC(=C1)NC(=O)C S908711 [0,1,0,0,1,0|2,0,0]=4 29 B13R1.373 CCOC1=CC=CC(=C1)NC(=O)C S806153 [0,1,0,0,1,0|2,0,0]=4 30 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [1,0,0,1,0,0|1,0,1]=4 31 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [1,0,0,1,0,0|1,0,1]=4 32 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [1,0,0,1,0,0|1,0,1]=4 33 B13R2.2121 NCC1=CC=C2N=C(NC2=C1)O CBR02288 [0,0,0,1,1,0|1,0,0]=3 34 B13R2.2121 NCC1=CC=C2N=C(NC2=C1)O PH019530 [0,0,0,1,1,0|1,0,0]=3 35 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [1,0,0,0,1,0|1,0,0]=3 36 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [1,0,0,0,1,0|2,0,0]=4 37 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [1,0,0,0,1,0|2,0,0]=4 38 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [1,0,0,0,1,0|2,0,0]=4 39 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [1,0,0,0,1,0|1,0,0]=3 40 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [1,0,0,0,1,0|2,0,0]=4 41 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [1,0,0,0,1,0|2,0,0]=4 42 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [1,0,0,0,1,0|1,0,1]=4 43 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [1,0,0,0,1,0|1,0,1]=4