0 B10R1.10 Cc1cccc(c1)CCO LS11238 [1,0,0,0,0,0|2,0,0]=3 1 B10R1.10 c1cc(cc(c1)Br)CCN LS11227 [1,0,0,0,0,0|0,1,0]=2 2 B10R1.10 c1cc(cc(c1)Br)CCO LS11248 [1,0,0,0,0,0|1,1,0]=3 3 B10R1.10 c1cc(cc(c1)Cl)CCN LS11232 [1,0,0,0,0,0|0,1,0]=2 4 B10R1.10 c1cc(cc(c1)F)CC#N LS10556 [1,0,0,0,0,0|0,0,2]=3 5 B10R1.17 c1ccc(cc1)CN=C=S LS11773 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.17 c1ccc(cc1)C[Se]C#N LS11776 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.17 c1ccc(cc1)NCCN LS10740 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 c1cc(nc2c1CNCC2)Cl LS40852 [0,0,0,1,0,0|1,1,0]=3 9 B12R2.612 CC1c2ccc(cc2CN1)Br LS40061 [0,0,0,1,0,0|2,1,0]=4 10 B12R2.612 c1cc2c(cc1Cl)CCC2=O LS00023 [0,0,0,1,0,0|2,1,0]=4 11 B12R2.612 c1cc2c(cc1F)CCC2=O LS20516 [0,0,0,1,0,0|2,0,0]=3 12 B12R2.612 c1cc2c(cc1O)CCC2=O LS40251 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.2 C=Cc1cccc(c1)F LS11648 [2,0,0,0,0,0|0,0,2]=4 14 B9R1.2 CNc1cccc(c1)Cl LS10187 [2,0,0,0,0,0|0,1,0]=3 15 B9R1.2 Cc1cccc(c1)CBr LS11263 [2,0,0,0,0,0|2,0,0]=4 16 B9R1.2 Cc1cccc(c1)CCl LS11215 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.2 Cc1cccc(c1)CN LS11219 [2,0,0,0,0,0|1,0,0]=3 18 B9R1.2 c1cc(cc(c1)Br)CN LS11217 [2,0,0,0,0,0|0,1,0]=3 19 B9R1.2 c1cc(cc(c1)F)CO LS11387 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.2 c1cc(cc(c1)I)CBr LS11267 [2,0,0,0,0,0|1,1,0]=4 21 B9R1.8 CNNc1ccccc1 LS10173 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.8 c1ccc(cc1)CCN LS10634 [2,0,0,0,0,0|0,0,0]=2 23 B9R1.8 c1ccc(cc1)CCN LS10635 [2,0,0,0,0,0|0,0,0]=2 24 B9R1.8 c1ccc(cc1)CNO LS11836 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.8 c1ccc(cc1)CNO LS40338 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.8 c1ccc(cc1)CON LS40003 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.8 c1cnccc1CCN LS21103 [2,0,0,0,0,0|1,0,0]=3 28 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCO LS11243 [1,1,0,0,0,0|1,1,0]=4 29 B11R1.23 CCC(=O)c1cccc(c1)Cl LS41311 [1,1,0,0,0,0|0,1,1]=4 30 B11R1.34 c1c(cc(cc1Cl)Cl)CCO LS11245 [1,1,0,0,0,0|1,1,0]=4 31 B11R1.157 CC(=O)Cc1cccc(c1)Br LS11254 [1,1,0,0,0,0|0,1,1]=4 32 B11R1.157 CC(=O)Cc1cccc(c1)Cl LS11257 [1,1,0,0,0,0|0,1,1]=4 33 B11R1.192 CCOc1ccc(c(c1)Cl)Br LS11311 [1,1,0,0,0,0|1,1,0]=4 34 B11R1.192 c1cc(c(cc1CCN)Cl)Cl LS11236 [1,1,0,0,0,0|0,1,0]=3 35 B11R1.192 c1cc(c(cc1CCO)Cl)Cl LS11246 [1,1,0,0,0,0|1,1,0]=4 36 B11R1.192 c1cc(c(cc1CCO)Cl)F LS11250 [1,1,0,0,0,0|1,1,0]=4 37 B11R1.1 CCCCc1ccc(cc1)Br LS11195 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.1 CNCCc1ccc(cc1)O LS10122 [1,1,0,0,0,0|0,0,0]=2 39 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O LS30119 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.28 c1ccc(cc1)CCCCO LS10545 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.28 c1ccc(cc1)COCCO LS10494 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.28 c1cnccc1CCCCCl LS21209 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.91 B(CCc1ccccc1)(O)O LS10785 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.91 CC(CCc1ccccc1)N LS10632 [1,1,0,0,0,0|1,0,0]=3 46 B11R2.36 c1cc2c(cc1Br)CCN2 LS20952 [1,0,0,1,0,0|0,1,0]=3 47 B11R2.36 c1cc2c(cc1Br)CCO2 LS40182 [1,0,0,1,0,0|1,1,0]=4 48 B11R2.36 c1cc2c(cc1Br)CNC2 LS20867 [1,0,0,1,0,0|0,1,0]=3 49 B11R2.36 c1cc2c(cc1Br)NCC2 LS20158 [1,0,0,1,0,0|1,1,0]=4 50 B11R2.36 c1cc2c(cc1Cl)CCN2 LS20157 [1,0,0,1,0,0|0,1,0]=3 51 B11R2.36 c1cc2c(cc1N)CCO2 LS40069 [1,0,0,1,0,0|2,0,0]=4 52 B11R2.36 c1cc2c(cc1N)CNC2 LS40052 [1,0,0,1,0,0|1,0,0]=3 53 B11R2.106 c1cc2c(c(c1)Br)CNC2 LS20869 [1,0,0,1,0,0|0,1,0]=3 54 B11R2.1 c1ccc2c(c1)CCC2N LS40652 [1,0,0,1,0,0|2,0,0]=4 55 B11R2.1 c1ccc2c(c1)CC[C@H]2N LS30488 [1,0,0,1,0,0|2,0,0]=4 56 B11R2.20 c1cc2c(nc1)CCCC2 LS40266 [1,0,0,1,0,0|2,0,0]=4 57 B11R2.20 c1ccc2c(c1)CCCC2 LS40429 [1,0,0,1,0,0|1,0,0]=3