0 B11R1.17 CC1=CC=CC=C1COC=O 16773 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.17 CC1=CC=CC=C1CSC#N 16772 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.17 COCOC1=C(F)C=CC=C1 100829 [0,0,0,0,0,0|2,1,0]=3 3 B11R1.17 COCOC1=CC=CC=C1Cl 102905 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [1,0,0,0,0,0|1,0,2]=4 5 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [1,0,0,0,0,0|1,0,2]=4 6 B10R1.17 N#C[Se]CC1=CC=CC=C1 20016 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.25 COCOC1=C(Cl)C(F)=CC=C1 100939 [0,1,0,0,0,0|2,0,0]=3 8 B12R1.25 COCOC1=C(F)C(F)=CC=C1 102742 [0,1,0,0,0,0|2,1,0]=4 9 B12R1.69 COCOC1=C(F)C=C(F)C=C1 100965 [0,1,0,0,0,0|2,1,0]=4 10 B12R1.125 CC(=O)OCC1=CC=CC=C1C 16781 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.267 COCOCC1=C(F)C=CC=C1 102894 [0,1,0,0,0,0|1,1,0]=3 12 B12R1.374 COCOC1=C(F)C=CC(F)=C1 100962 [0,1,0,0,0,0|2,1,0]=4 13 B10R0.71 C=C\C=C/C=C/CCCCC 100793 [0,0,1,0,0,0|2,0,1]=4 14 B12R2.24 CN1CCC2=CC=CC=C2C1 101931 [0,0,0,1,0,0|1,0,0]=2 15 B9R0.45 C\C=C\C=C/C=C/CCC 102629 [1,0,1,0,0,0|1,0,0]=3 16 B9R1.8 COCC1=CC=CC=C1 102522 [2,0,0,0,0,0|1,0,0]=3 17 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [2,0,0,0,0,0|0,0,2]=4 18 B9R1.8 NCCC1=CC=CC=C1 11614 [2,0,0,0,0,0|0,0,0]=2 19 B9R1.8 NCCC1=CC=CC=C1 12328 [2,0,0,0,0,0|0,0,0]=2 20 B9R1.8 [NH3+]CCC1=CC=CC=C1 12322 [2,0,0,0,0,0|0,0,1]=3 21 B9R1.15 CC1=CC=CC=C1CCl 16097 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.15 NCC1=C(O)C=CC=C1 103068 [2,0,0,0,0,0|1,0,0]=3 23 B9R1.15 O=CC1=C(Cl)C=CC=C1 15855 [2,0,0,0,0,0|1,0,1]=4 24 B11R1.41 CCC1=CC=CC=C1CNC 102275 [1,1,0,0,0,0|1,0,0]=3 25 B11R1.81 CNCC1=CC=C(Cl)C=C1O 19425 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.86 CC(=O)NC1=CC=CC=C1Cl 17122 [1,1,0,0,0,0|1,0,1]=4 27 B11R1.86 O=C(O)CC1=CC=CC=C1Cl 102178 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.605 OCCC1=C(Cl)C=CC=C1Cl 101175 [1,1,0,0,0,0|1,0,0]=3 29 B11R1.1 CCCCC1=CC=C(O)C=C1 17214 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.1 CCCOC1=CC=C(O)C=C1 17213 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.1 COCOC1=CC=C(Cl)C=C1 102904 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.1 COCOC1=CC=C(F)C=C1 100828 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.16 C=CCC(O)C1=CC=CC=C1 19554 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.16 OCCC(O)C1=CC=CC=C1 12195 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.24 COCOC1=CC(Cl)=CC=C1 102909 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.24 COCOC1=CC(F)=CC=C1 102899 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.28 CCC\C=C\C1=CC=CC=C1 100517 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.28 C\C=C\CNC1=CC=CC=C1 100873 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.40 FCC(F)CC1=CC=CC=C1 102361 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.3395 COCOC1=C(F)C=CC(F)=C1Cl 100970 [0,2,0,0,0,0|2,0,0]=4 42 B13R1.555 COCOCCC1=C(F)C=CC=C1 102407 [0,2,0,0,0,0|1,1,0]=4 43 B13R1.555 NCCCNCC1=C(Cl)C=CC=C1 19998 [0,2,0,0,0,0|1,0,0]=3 44 B11R2.20 C1=CC2=C(CCCC2)N=C1 20737 [1,0,0,1,0,0|2,0,0]=4 45 B11R2.1 CC1=CCC2=CC=CC=C12 16664 [1,0,0,1,0,0|1,0,1]=4 46 B13R2.328 CN1CC2=CC=CC=C2C(O)C1 101924 [0,1,0,1,0,0|1,0,0]=3 47 B13R2.33 O=C1CCC2=CC=CC=C2CC1 21559 [0,1,0,1,0,0|2,0,0]=4 48 B13R2.1028 CCCCC1CC2=CC=CC=C21 16576 [0,1,0,1,0,0|2,0,0]=4 49 B13R2.3683 CN1CCC2=CC(O)=CC=C2C1 15600 [0,1,0,1,0,0|1,0,0]=3 50 B9R1.12 CCCCC1=CSC=C1 19189 [1,0,0,0,1,0|2,0,0]=4