0 B10R1.20 CCC1=CC=CC=C1CC M10005067P [0,0,0,0,0,0|3,0,0]=3 1 B10R1.20 CCC1=NC=CN=C1OC M10190762P [0,0,0,0,0,0|0,1,0]=1 2 B10R1.20 O=CC1=C(OC)N=CC=C1 M10442166P [0,0,0,0,0,0|2,1,1]=4 3 B10R1.20 O=CC1=CC=CC=C1CC M10177455P [0,0,0,0,0,0|4,0,0]=4 4 B10R1.20 O=CC1=NC=CC=C1OC M10037086P [0,0,0,0,0,0|2,1,1]=4 5 B10R1.20 OCC1=NC=CC=C1CO M10877017P [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 CC1=CC=CC=C1CBr M10001945P [1,0,0,0,0,0|3,0,0]=4 7 B9R1.15 CC1=CC=CC=C1NC M10015911P [1,0,0,0,0,0|3,0,0]=4 8 B9R1.15 CNC1=CC=CN=C1Cl M10244388P [1,0,0,0,0,0|3,0,0]=4 9 B9R1.15 COC1=NC=CN=C1Cl M10241827P [1,0,0,0,0,0|1,1,0]=3 10 B9R1.15 CSC1=NC=CN=C1C M10428474P [1,0,0,0,0,0|0,0,0]=1 11 B9R1.15 N#CC1=NC=CN=C1Cl M10283266P [1,0,0,0,0,0|2,0,1]=4 12 B9R1.15 NCC1=NC=CN=C1Cl M10007725P [1,0,0,0,0,0|2,0,0]=3 13 B9R1.15 NNC1=NC=CN=C1Cl M10391065P [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 OCC1=NC=CC=C1N M10264876P [1,0,0,0,0,0|3,0,0]=4 15 B9R1.15 OCC1=NC=CC=C1O M10129274P [1,0,0,0,0,0|2,1,0]=4 16 B11R1.41 NCCC1=CC=CC=C1OC M10039390P [0,1,0,0,0,0|2,1,0]=4 17 B11R1.53 CCC1=NC=CC=C1B(O)O M10129344P [0,1,0,0,0,0|3,0,0]=4 18 B11R1.53 COC1=NC=CN=C1C(C)C M10191291P [0,1,0,0,0,0|0,1,0]=2 19 B11R1.53 CSC1=NC=CC=C1B(O)O M10098733P [0,1,0,0,0,0|3,0,0]=4 20 B11R2.1 NC1CCC2=CC=CN=C21 M10109508P [0,0,0,1,0,0|3,0,0]=4 21 B11R2.1 O=C1CCC2=CC=CN=C21 M10212882P [0,0,0,1,0,0|3,0,0]=4 22 B11R2.1 O=C1CCC2=NC=CC=C21 M10202756P [0,0,0,1,0,0|3,0,0]=4 23 B11R2.20 C12=C(N=CC=N1)CCCC2 M10223803P [0,0,0,1,0,0|1,0,0]=2 24 B11R2.20 C12=NC=CC=C1NCCC2 M10127936P [0,0,0,1,0,0|2,0,0]=3 25 B11R2.20 C12=NC=CC=C1OCCO2 M10729372P [0,0,0,1,0,0|2,1,0]=4 26 B8R1.2 BrCC1=CC=CN=C1 M10067250P [2,0,0,0,0,0|2,0,0]=4 27 B8R1.2 BrCC1=NC=CC=C1 M10212637P [2,0,0,0,0,0|2,0,0]=4 28 B8R1.2 CSC1=NC=CC=N1 M10021362P [2,0,0,0,0,0|2,0,0]=4 29 B8R1.2 NCC1=NC=CN=C1 M10163885P [2,0,0,0,0,0|1,0,0]=3 30 B8R1.2 NCC1=NC=CN=C1 M10239061P [2,0,0,0,0,0|1,0,0]=3 31 B8R1.2 NNC1=NC=CN=C1 M10277619P [2,0,0,0,0,0|2,0,0]=4 32 B8R1.5 CC1=NC=CC=C1Br M10237555P [2,0,0,0,0,0|2,0,0]=4 33 B8R1.5 CC1=NC=CC=C1Cl M10445941P [2,0,0,0,0,0|2,0,0]=4 34 B8R1.5 CC1=NC=CC=C1F M10139485P [2,0,0,0,0,0|2,0,0]=4 35 B8R1.5 NC1=NC=CN=C1C M10162913P [2,0,0,0,0,0|1,0,0]=3 36 B8R1.5 O=C1C(C)=NC=CN1 M10162912P [2,0,0,0,0,0|0,1,1]=4 37 B10R1.4 CC1=CC=CC=C1CCO M10162794P [1,1,0,0,0,0|2,0,0]=4 38 B10R1.4 CC1=CC=CC=C1NCC M10002326P [1,1,0,0,0,0|2,0,0]=4 39 B10R1.4 CC1=NC=CN=C1OCC M10218072P [1,1,0,0,0,0|0,0,0]=2 40 B10R1.4 CCOC1=NC=CN=C1N M10571324P [1,1,0,0,0,0|1,0,0]=3 41 B10R1.4 COCC1=NC=CN=C1Cl M10128447P [1,1,0,0,0,0|1,0,0]=3 42 B10R1.25 CC1=CC(Br)=CN=C1OC M10951361P [1,1,0,0,0,0|1,1,0]=4 43 B10R1.25 CC1=CN=C(CC)C(C)=N1 M10127477P [1,1,0,0,0,0|0,0,0]=2 44 B10R1.30 COC1=NC(Br)=CN=C1Cl M10565199P [1,1,0,0,0,0|1,1,0]=4 45 B10R1.30 OC1=CC=C(C)N=C1CC M10122199P [1,1,0,0,0,0|1,1,0]=4 46 B10R1.30 OC1=CC=C(C)N=C1CC M10725655P [1,1,0,0,0,0|1,1,0]=4 47 B10R1.61 CC(C1=NC=CN=C1N)=O M10712587P [1,1,0,0,0,0|1,0,1]=4 48 B10R1.61 CC(O)C1=CC=CN=C1Cl M10733656P [1,1,0,0,0,0|2,0,0]=4 49 B10R1.61 O=C(C1=NC=CN=C1C)O M10244952P [1,1,0,0,0,0|1,0,1]=4 50 B12R2.24 CC1=NC2=C(CCCC2)C=C1 M10046008P [0,1,0,1,0,0|2,0,0]=4 51 B12R2.1081 NC1CCCC2=C1N=CC=C2 M10853440P [0,1,0,1,0,0|2,0,0]=4 52 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 M10867713P [0,1,0,1,0,0|2,0,0]=4 53 B12R2.1081 N[C@H]1CCCC2=C1N=CC=C2 M10867714P [0,1,0,1,0,0|2,0,0]=4 54 B8R1.11 NC1=NNC=C1CC M10250285P [1,0,0,0,1,0|2,0,0]=4 55 B8R1.11 OCC1=C(C)SC=N1 M10997559P [1,0,0,0,1,0|2,0,0]=4