0 B11R2.36 CC1=CC2=C(C=CN2)C=N1 OR16001 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.36 CC1=CC2=C(C=N1)NN=C2 OR305369 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.36 CC1=CC2=NSN=C2C=C1 OR26809 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.36 ClC1=NC=C2C=CNC2=N1 OR8407 [0,0,0,0,0,0|3,0,1]=4 4 B11R2.36 ClC1=NC=C2NN=CC2=N1 OR305533 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.36 NC1=CC2=C(C=C1)COC2 OR16559 [0,0,0,0,0,0|3,1,0]=4 6 B11R2.36 NC1=CC=C2CCCC2=C1 OR11116 [0,0,0,0,0,0|4,0,0]=4 7 B11R2.36 OC1=CC2=C(C=C1)CCC2 OR5401 [0,0,0,0,0,0|4,0,0]=4 8 B10R2.7 C1=CC2=C(C=C1)CCC2 OR18290 [1,0,0,0,0,0|3,0,0]=4 9 B10R2.7 C1=CC2=C(C=C1)CNC2 OR350210 [1,0,0,0,0,0|3,0,0]=4 10 B10R2.7 C1=CC2=C(C=N1)CCN2 OR305601 [1,0,0,0,0,0|3,0,0]=4 11 B10R2.7 C1=CC2=C(C=N1)CNC2 OR302510 [1,0,0,0,0,0|2,0,0]=3 12 B10R2.7 C1=CC2=CN=CN=C2N1 OR317000 [1,0,0,0,0,0|2,0,1]=4 13 B10R2.7 C1=CC=C2COCC2=C1 OR24902 [1,0,0,0,0,0|2,1,0]=4 14 B10R2.7 C1=CN=C2CCCC2=C1 OR5187 [1,0,0,0,0,0|2,0,0]=3 15 B10R2.7 C1=CN=C2CNCC2=C1 OR30672 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.246 CC1=C2CCCC2=NC(Cl)=N1 OR40569 [0,1,0,0,0,0|2,0,0]=3 17 B12R2.246 CC1=CC(Cl)=NC2=C1CCC2 OR303736 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.246 CC1=NC(Cl)=C2C=NNC2=N1 OR52449 [0,1,0,0,0,0|2,0,1]=4 19 B12R2.246 CC1=NC(Cl)=C2SC=CC2=N1 OR301094 [0,1,0,0,0,0|2,0,1]=4 20 B12R2.246 CC1=NC(N)=C2C=NNC2=N1 OR52451 [0,1,0,0,0,0|2,0,1]=4 21 B12R2.246 NC1=NC(Cl)=NC2=C1CCC2 OR40398 [0,1,0,0,0,0|2,0,0]=3 22 B12R2.246 O=C1NC(S)=NC2=C1CCC2 OR471549 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.1 CC1=CC=C(CC#N)C=N1 OR46596 [0,0,1,0,0,0|3,0,0]=4 24 B10R1.1 CCCC1=CN=C(Cl)N=C1 OR0295 [0,0,1,0,0,0|2,0,0]=3 25 B10R1.1 CNCC1=CC=C(C)C=C1 OR16470 [0,0,1,0,0,0|3,0,0]=4 26 B10R1.10 CCCC1=NC(Cl)=NC=C1 OR11679 [0,0,1,0,0,0|2,0,0]=3 27 B10R1.10 CNCC1=CC(Cl)=NC=C1 OR12224 [0,0,1,0,0,0|3,0,0]=4 28 B10R1.25 CC1=CC(Cl)=NC=C1CN OR60151 [0,0,1,0,0,0|3,0,0]=4 29 B10R1.25 CC1=CC=C(C=O)C(C)=N1 OR46031 [0,0,1,0,0,0|1,1,1]=4 30 B10R1.25 CC1=NC(Cl)=C(C#N)C=N1 OR928159 [0,0,1,0,0,0|2,0,1]=4 31 B10R1.25 CC1=NC=C(C#N)C(N)=N1 OR4236 [0,0,1,0,0,0|2,0,1]=4 32 B10R1.25 CCC1=CN=C(Cl)N=C1Cl OR43523 [0,0,1,0,0,0|3,0,0]=4 33 B10R1.25 ClC1=NC(Cl)=C(CI)C=N1 OR18550 [0,0,1,0,0,0|3,0,0]=4 34 B10R1.25 OCC1=CN=C(Cl)N=C1Cl OR350468 [0,0,1,0,0,0|2,1,0]=4 35 B10R1.30 CC1=CC(CN)=C(C)C=C1 OR70002 [0,0,1,0,0,0|3,0,0]=4 36 B10R1.30 CCC1=NC(C)=CC=C1O OR2008 [0,0,1,0,0,0|3,0,0]=4 37 B12R2.24 CC1=NC2=C(C=C1)CCNC2 OR305314 [0,0,0,0,0,1|2,0,0]=3 38 B9R1.1 CC1=CC=C(CO)C=N1 OR14843 [1,0,1,0,0,0|1,1,0]=4 39 B9R1.1 CC1=CC=C(CS)C=C1 OR30170 [1,0,1,0,0,0|2,0,0]=4 40 B9R1.1 CC1=NC=C(CO)C=N1 OR17837 [1,0,1,0,0,0|0,1,0]=3 41 B9R1.1 CCC1=CN=C(C)C=C1 OR3152 [1,0,1,0,0,0|1,0,0]=3 42 B9R1.1 CCC1=CN=C(Cl)N=C1 OR2912 [1,0,1,0,0,0|1,0,0]=3 43 B9R1.1 COC1=CN=C(Cl)N=C1 OR17107 [1,0,1,0,0,0|1,1,0]=4 44 B9R1.1 COC1=CN=C(N)N=C1 OR54119 [1,0,1,0,0,0|1,1,0]=4 45 B9R1.8 CCCC1=CC=NC=C1 OR13622 [1,0,1,0,0,0|2,0,0]=4 46 B9R1.8 CNCC1=CC=CN=C1 OR30155 [1,0,1,0,0,0|2,0,0]=4 47 B9R1.8 CNCC1=CC=NC=C1 OR12591 [1,0,1,0,0,0|2,0,0]=4 48 B9R1.8 CNCC1=CC=NC=C1 OR318010 [1,0,1,0,0,0|2,0,0]=4 49 B9R1.8 CNCC1=NC=CC=C1 OR12501 [1,0,1,0,0,0|2,0,0]=4 50 B9R1.8 CNCC1=NC=CC=C1 OR51995 [1,0,1,0,0,0|2,0,0]=4 51 B9R1.8 COCC1=NC=CC=C1 OR13609 [1,0,1,0,0,0|1,1,0]=4 52 B9R1.2 CC1=CC=CC(CO)=N1 OR0530 [1,0,1,0,0,0|1,1,0]=4 53 B9R1.2 CC1=CC=CC(CS)=C1 OR30177 [1,0,1,0,0,0|2,0,0]=4 54 B9R1.2 CC1=NC(CCl)=CC=C1 OR450025 [1,0,1,0,0,0|2,0,0]=4 55 B9R1.2 CC1=NC=CC(CO)=C1 OR40250 [1,0,1,0,0,0|1,1,0]=4 56 B9R1.2 CCC1=CC(N)=NC=C1 OR22210 [1,0,1,0,0,0|2,0,0]=4 57 B9R1.2 CCC1=CC=CC(N)=N1 OR22212 [1,0,1,0,0,0|2,0,0]=4 58 B9R1.2 CCC1=NC(Cl)=NC=C1 OR17114 [1,0,1,0,0,0|1,0,0]=3 59 B9R1.2 CNC1=NC(Cl)=NC=C1 OR18111 [1,0,1,0,0,0|2,0,0]=4 60 B9R1.2 COC1=CC=CC(C)=N1 OR9940 [1,0,1,0,0,0|1,1,0]=4 61 B9R1.2 COC1=NC(Cl)=NC=C1 OR46001 [1,0,1,0,0,0|1,1,0]=4 62 B9R1.2 COC1=NC(N)=NC=C1 OR40024 [1,0,1,0,0,0|1,1,0]=4 63 B9R1.2 CSC1=CC(Cl)=NC=C1 OR55260 [1,0,1,0,0,0|2,0,0]=4 64 B9R1.2 CSC1=CC=CC(Br)=N1 OR15633 [1,0,1,0,0,0|2,0,0]=4 65 B9R1.2 CSC1=NC(C)=CC=N1 OR60031 [1,0,1,0,0,0|2,0,0]=4 66 B9R1.2 CSC1=NC(Cl)=NC=C1 OR15519 [1,0,1,0,0,0|1,0,0]=3 67 B9R1.15 CC1=C(CO)C=CN=C1 OR46599 [1,0,1,0,0,0|1,1,0]=4 68 B9R1.15 CC1=CC=CC=C1CS OR30176 [1,0,1,0,0,0|2,0,0]=4 69 B9R1.15 CC1=CC=CN=C1CN OR52052 [1,0,1,0,0,0|2,0,0]=4 70 B9R1.15 CCC1=C(Br)C=NC=N1 OR11580 [1,0,1,0,0,0|2,0,0]=4 71 B9R1.69 CC1=C(C)N=C(N)C=C1 OR40193 [1,0,1,0,0,0|2,0,0]=4 72 B9R1.69 CC1=CC(C)=C(C)C=C1 OR5391 [1,0,1,0,0,0|2,0,0]=4 73 B9R1.69 CC1=CC(C)=C(N)C=N1 OR7030 [1,0,1,0,0,0|2,0,0]=4 74 B9R1.69 CC1=CC(C)=C(O)C=N1 OR9030 [1,0,1,0,0,0|1,1,0]=4 75 B9R1.69 CC1=CC(C)=C(S)C=C1 OR7946 [1,0,1,0,0,0|2,0,0]=4 76 B9R1.69 CC1=CC(S)=C(C)C=C1 OR6661 [1,0,1,0,0,0|2,0,0]=4 77 B9R1.69 CC1=CC=C(Br)C(C)=N1 OR6452 [1,0,1,0,0,0|2,0,0]=4 78 B9R1.69 CC1=CC=C(N)C(C)=N1 OR9514 [1,0,1,0,0,0|2,0,0]=4 79 B9R1.69 CC1=CC=C(O)C(C)=N1 OR27677 [1,0,1,0,0,0|1,1,0]=4 80 B9R1.69 CC1=CN=C(Cl)N=C1Cl OR17853 [1,0,1,0,0,0|2,0,0]=4 81 B9R1.69 CC1=CN=C(Cl)N=C1N OR61116 [1,0,1,0,0,0|2,0,0]=4 82 B9R1.69 CC1=CN=C(N)N=C1Cl OR61403 [1,0,1,0,0,0|2,0,0]=4 83 B11R1.34 CCCC1=CC(O)=NC(S)=N1 OR11311 [0,1,1,0,0,0|2,0,0]=4 84 B11R1.166 CC1=CC(C)=NC=C1[C@H](C)N OR52305 [0,1,1,0,0,0|2,0,0]=4 85 B13R2.57 NCC1=CC=C2CCCCC2=N1 OR52425 [0,1,0,0,0,1|2,0,0]=4 86 B13R2.328 CC1=CC(C)=C2CCCNC2=N1 OR55297 [0,1,0,0,0,1|2,0,0]=4 87 B13R2.328 NC1=NC2=C(CCCC2)C(O)=N1 OR8486 [0,1,0,0,0,1|2,0,0]=4 88 B13R2.328 OC1=NC(S)=NC2=C1CCCC2 OR9369 [0,1,0,0,0,1|2,0,0]=4 89 B9R1.7 CNCC1=CN=C(C)O1 OR59867 [0,0,1,0,1,0|2,0,0]=4 90 B9R1.7 CNCC1=COC(C)=N1 OR59862 [0,0,1,0,1,0|2,0,0]=4 91 B9R1.7 CNCC1=CSC(C)=N1 OR5210 [0,0,1,0,1,0|2,0,0]=4 92 B9R1.22 CC1=CC(CN)=C(C)O1 OR22999 [0,0,1,0,1,0|2,0,0]=4 93 B9R1.22 CC1=NC(C)=C(CO)S1 OR23083 [0,0,1,0,1,0|1,1,0]=4 94 B9R1.22 CC1=NC(CN)=C(C)O1 OR9127 [0,0,1,0,1,0|2,0,0]=4 95 B9R1.22 CC1=NC(CO)=C(C)O1 OR6751 [0,0,1,0,1,0|1,1,0]=4 96 B9R1.22 CC1=NN(C)C(CBr)=C1 OR45101 [0,0,1,0,1,0|2,0,0]=4 97 B9R1.22 CC1=NN(C)C(CN)=C1 OR101954 [0,0,1,0,1,0|2,0,0]=4 98 B9R1.22 CC1=NN(C)C(CO)=C1 OR23188 [0,0,1,0,1,0|1,1,0]=4 99 B9R1.27 CC1=NOC(C)=C1CCl OR0256 [0,0,1,0,1,0|2,0,0]=4 100 B9R1.27 CC1=NOC(C)=C1CN OR40198 [0,0,1,0,1,0|2,0,0]=4 101 B9R1.27 CC1=NOC(C)=C1CO OR22989 [0,0,1,0,1,0|1,1,0]=4 102 B9R1.27 CCC1=C(C)NC=C1C OR9933 [0,0,1,0,1,0|1,0,1]=4 103 B9R2.3 C1=CN2CCCC2=N1 OR42179 [1,0,0,0,1,0|2,0,0]=4 104 B11R2.20 C1=CC2=C(CCCC2)N=C1 OR350369 [1,0,0,0,0,1|2,0,0]=4 105 B11R2.20 C1=NC=C2CNCCC2=C1 OR313062 [1,0,0,0,0,1|2,0,0]=4