0 B11R1.24 COCOC1=CC(Cl)=CC=C1 102909 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.24 COCOC1=CC(F)=CC=C1 102899 [0,0,0,0,0,0|2,1,0]=3 2 B10R1.10 CCOC1=CC(Cl)=CC=N1 102384 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.10 CCOC1=CC=CC(F)=N1 102383 [1,0,0,0,0,0|2,1,0]=4 4 B10R1.10 N#CCC1=CC=CC(F)=C1 102623 [1,0,0,0,0,0|0,1,2]=4 5 B10R1.10 NCCC1=CC(O)=CC=C1 17137 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.10 O\N=C\C1=CC=CC(Cl)=C1 102223 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [1,0,0,0,0,0|1,0,2]=4 8 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [1,0,0,0,0,0|1,0,2]=4 9 B10R1.17 N#C[Se]CC1=CC=CC=C1 20016 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.25 COCOC1=C(Cl)C(F)=CC=C1 100939 [0,1,0,0,0,0|2,1,0]=4 11 B12R1.25 COCOC1=C(F)C(F)=CC=C1 102742 [0,1,0,0,0,0|2,1,0]=4 12 B12R1.28 COCOCC1=CC(F)=CC=C1 102892 [0,1,0,0,0,0|1,1,0]=3 13 B12R1.374 COCOC1=C(F)C=CC(F)=C1 100962 [0,1,0,0,0,0|2,1,0]=4 14 B12R1.385 COCOC1=CC(F)=C(F)C=C1 102744 [0,1,0,0,0,0|2,1,0]=4 15 B12R2.24 CC1=CC2=C(C=N1)CCCC2 16478 [0,0,0,1,0,0|3,0,0]=4 16 B12R2.24 OC1=CC=C2CCNCC2=C1 15601 [0,0,0,1,0,0|3,0,0]=4 17 B12R2.24 OC1=CC=C2CNCCC2=C1 15599 [0,0,0,1,0,0|1,0,0]=2 18 B9R0.2 C=C(C)\C=C\C=C\CCC 102643 [1,0,1,0,0,0|1,0,0]=3 19 B9R1.2 CNC1=CC=CC(F)=N1 101262 [2,0,0,0,0,0|1,1,0]=4 20 B9R1.2 NCC1=CC=CC(Cl)=C1 102537 [2,0,0,0,0,0|0,0,0]=2 21 B9R1.2 NCC1=CC=CC(N)=C1 102876 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.2 [NH3+]CC1=CC=CC(Cl)=C1 102479 [2,0,0,0,0,0|0,0,1]=3 23 B9R1.2 [NH3+]CC1=CC=CC(O)=C1 102221 [2,0,0,0,0,0|1,0,1]=4 24 B9R1.8 COCC1=CC=CC=C1 102522 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [2,0,0,0,0,0|0,0,2]=4 26 B9R1.8 NCCC1=CC=CC=C1 11614 [2,0,0,0,0,0|0,0,0]=2 27 B9R1.8 NCCC1=CC=CC=C1 12328 [2,0,0,0,0,0|0,0,0]=2 28 B9R1.8 [NH3+]CCC1=CC=CC=C1 12322 [2,0,0,0,0,0|0,0,1]=3 29 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 17121 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 102173 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.189 COC1=CC=CC(CCO)=C1 21814 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.1 CCCCC1=CC=C(O)C=C1 17214 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.1 CCCOC1=CC=C(O)C=C1 17213 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.1 COCOC1=CC=C(Cl)C=C1 102904 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.1 COCOC1=CC=C(F)C=C1 100828 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.16 C=CCC(O)C1=CC=CC=C1 19554 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.16 OCCC(O)C1=CC=CC=C1 12195 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.17 COCOC1=C(F)C=CC=C1 100829 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.17 COCOC1=CC=CC=C1Cl 102905 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.28 CCC\C=C\C1=CC=CC=C1 100517 [1,1,0,0,0,0|1,0,1]=4 41 B11R1.28 C\C=C\CNC1=CC=CC=C1 100873 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.40 FCC(F)CC1=CC=CC=C1 102361 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.3518 COCOC1=C(F)C(Cl)=C(F)C=C1 100963 [0,2,0,0,0,0|2,0,0]=4 45 B13R1.6 COCOCCC1=CC(F)=CC=C1 102406 [0,2,0,0,0,0|1,1,0]=4 46 B13R1.511 CC(=O)CCC1=CC=C(O)C(F)=C1 102130 [0,2,0,0,0,0|1,1,0]=4 47 B13R1.511 CN(C)CCC1=CC=C(O)C(O)=C1 21330 [0,2,0,0,0,0|1,0,0]=3 48 B11R1.81 CNCC1=CC=C(Cl)C=C1O 19425 [0,0,1,1,0,0|1,0,1]=4 49 B11R2.468 O=C1CC2=CC=CC(Cl)=C12 16262 [1,0,0,1,0,0|1,0,1]=4 50 B11R2.468 OC1CC2=CC=CC(F)=C21 16158 [1,0,0,1,0,0|1,1,0]=4 51 B11R2.1 CC1=CCC2=CC=CC=C12 16664 [1,0,0,1,0,0|1,0,1]=4 52 B11R2.20 C1=CC2=C(CCCC2)N=C1 20737 [1,0,0,1,0,0|2,0,0]=4 53 B11R2.988 C=CC1CC2=CC=CC=C21 16578 [1,0,0,1,0,0|1,0,1]=4 54 B11R2.988 N#CC1CC2=CC=CC=C21 16577 [1,0,0,1,0,0|2,0,0]=4 55 B13R2.3683 CN1CCC2=CC(O)=CC=C2C1 15600 [0,1,0,1,0,0|1,0,0]=3 56 B13R2.1613 COC1=CC=CC2=C1CNCC2 100287 [0,1,0,1,0,0|1,0,0]=3 57 B13R2.369 OC1=C(O)C=C2CNCCC2=C1 15628 [0,1,0,1,0,0|1,0,0]=3 58 B9R1.12 CCCCC1=CSC=C1 19189 [1,0,0,0,1,0|2,0,0]=4