0 B11R1.17 OCCCC1=CC=CC=C1Br CS-W021756 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.4 CC1=CC=CC=C1CC#N CS-W019570 [1,0,0,0,0,0|1,0,2]=4 2 B10R1.4 CC1=CC=CC=C1CCO CS-W021450 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.4 CCOC1=CC=CC=C1O CS-0040351 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.4 COCC1=CC=CC=C1O CS-W021443 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.4 N#CCC1=CC=CC=C1Br CS-W019568 [1,0,0,0,0,0|0,0,2]=3 6 B10R1.4 N#CCC1=CC=CC=C1Cl CS-W020135 [1,0,0,0,0,0|0,1,2]=4 7 B10R1.17 C#CCCC1=CC=CC=C1 CS-0081605 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.17 C=CCOC1=CC=CC=C1 CS-W013371 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.17 CCNCC1=CC=CC=C1 CS-W013340 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 NCCNC1=CC=CC=C1 CS-0045385 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.125 CC1=CC=CC=C1CCC(=O)O CS-W005547 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.125 O=C(O)CCC1=CC=CC=C1Br CS-W007510 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl CS-W016978 [0,1,0,0,0,0|2,1,0]=4 14 B12R1.125 O=C(O)CCC1=CC=CC=C1F CS-W007890 [0,1,0,0,0,0|2,1,0]=4 15 B12R1.308 CCNC(=O)C1=C(Br)C=CC=C1 CS-0037638 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.371 COC(=O)CC1=CC=CC=C1Cl CS-0030578 [0,1,0,0,0,0|1,1,1]=4 17 B12R2.32 OCC1CC2=CC=CC=C2O1 CS-0031351 [0,0,0,1,0,0|3,0,0]=4 18 B12R2.41 C1=CC=C2NCCCCC2=C1 CS-W005435 [0,0,0,1,0,0|2,0,0]=3 19 B12R2.196 O=C1CCC2=C(F)C=CC=C12 CS-0001929 [0,0,0,1,0,0|2,1,0]=4 20 B12R2.196 O=C1OCC2=C1C=CC=C2Br CS-W004185 [0,0,0,1,0,0|3,0,0]=4 21 B12R2.1081 BrC1=C2OCCOC2=CC=C1 CS-0114016 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.8 BrCCC1=CC=CC=C1 CS-W019955 [2,0,0,0,0,0|1,0,0]=3 23 B9R1.8 CNCC1=CC=CC=C1 CS-W007426 [2,0,0,0,0,0|0,0,0]=2 24 B9R1.8 C\C=C\C1=CC=CC=C1 CS-0069845 [2,0,0,0,0,0|0,0,2]=4 25 B9R1.8 NOCC1=CC=CC=C1 CS-W008955 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.15 C=CC1=CC=CC=C1Br CS-W017069 [2,0,0,0,0,0|0,0,2]=4 27 B9R1.15 CCC1=CC=CC=C1Br CS-W016966 [2,0,0,0,0,0|0,0,0]=2 28 B9R1.15 CCC1=CC=CC=C1I CS-0109507 [2,0,0,0,0,0|0,1,0]=3 29 B9R1.15 COC1=C(Br)N=CC=C1 CS-W007501 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.15 NCC1=CC=CC=C1I CS-0096870 [2,0,0,0,0,0|0,1,0]=3 31 B9R1.15 NNC1=CC=CC=C1Br CS-W013082 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.15 NNC1=CC=CC=C1F CS-W016106 [2,0,0,0,0,0|1,1,0]=4 33 B9R1.15 OCC1=CC=CC=C1Cl CS-W016422 [2,0,0,0,0,0|1,1,0]=4 34 B11R1.81 NOCC1=CC=C(Cl)C=C1Cl CS-0104661 [1,1,0,0,0,0|1,1,0]=4 35 B11R1.86 CC(=O)CC1=CC=CC=C1Br CS-W007949 [1,1,0,0,0,0|0,0,1]=3 36 B11R1.86 NC(=S)NC1=CC=CC=C1Br CS-0093548 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.605 NCCC1=C(Cl)C=CC=C1Cl CS-B1736 [1,1,0,0,0,0|0,1,0]=3 38 B11R1.605 OCCC1=C(Cl)C=CC=C1Cl CS-W023063 [1,1,0,0,0,0|1,1,0]=4 39 B11R1.1 CCCOC1=CC=C(N)C=C1 CS-0038837 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.1 COCCC1=CC=C(O)C=C1 CS-M3678 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.16 [C@H](O)(CCCl)C1=CC=CC=C1 CS-W017667 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.40 NC(CO)CC1=CC=CC=C1 CS-W019002 [1,1,0,0,0,0|2,0,0]=4 43 B11R2.20 C1=CC2=C(C=C1)NCCC2 CS-D1404 [1,0,0,1,0,0|1,0,0]=3 44 B11R2.20 C1=CC2=C(CCCC2)N=C1 CS-D1679 [1,0,0,1,0,0|2,0,0]=4 45 B11R2.106 NC1=C2CCOC2=CC=C1 CS-W018648 [1,0,0,1,0,0|2,0,0]=4 46 B11R2.1 N[C@H]1CCC2=CC=CC=C21 CS-M1707 [1,0,0,1,0,0|2,0,0]=4 47 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 CS-W013372 [1,0,0,1,0,0|2,0,0]=4 48 B13R2.162 O=C1CCC2=C(C1)C(Br)=CC=C2 CS-B0106 [0,1,0,1,0,0|1,0,1]=4 49 B13R2.1613 COC1=CC=CC2=C1CCNC2 CS-0047669 [0,1,0,1,0,0|1,0,0]=3 50 B13R2.18 BrC1=CC=CC=C1C2OCCO2 CS-0096855 [0,1,0,1,0,0|2,0,0]=4 51 B13R2.342 O=C1CCCC2=C1C=CC=C2Br CS-W004788 [0,1,0,1,0,0|1,0,1]=4 52 B13R2.342 O=C1NCCC2=C1C=CC=C2Br CS-W006085 [0,1,0,1,0,0|0,0,1]=3 53 B13R2.5151 CC1=CC=C(Br)C2=C1C(=O)CC2 CS-0101678 [0,1,0,1,0,0|2,0,0]=4