0 B14R2.19 BrC1=CN(CC2=CC=CC=C2)C=N1 25565 [0,1,0,0,0,0|2,0,1]=4 1 B14R2.19 IC1=CN(CC2=CC=CC=C2)N=C1 23732 [0,1,0,0,0,0|2,0,0]=3 2 B14R2.19 NC1=NN(CC2=CC=CC=C2)C=C1 32089 [0,1,0,0,0,0|2,0,0]=3 3 B14R2.30 CC1=NC=CN1CC2=CC=CC=C2 9442 [0,1,0,0,0,0|2,0,1]=4 4 B14R2.50 CC1=C(CC2=NNC=C2)C=CC=C1 22831 [0,1,0,0,0,0|2,0,0]=3 5 B14R2.72 BrC1=CC=C(CN2C=CN=C2)C=C1 25226 [0,1,0,0,0,0|2,0,1]=4 6 B14R2.72 NC1=CC=C(CN2C=NC=N2)C=C1 20210 [0,1,0,0,0,0|1,0,1]=3 7 B14R2.72 NC1=CC=C(OC2=NC=CS2)C=C1 15820 [0,1,0,0,0,0|3,0,0]=4 8 B14R2.114 O=C(C1=CC=CC=C1)C2=CC=CN2 14363 [0,1,0,0,0,0|1,0,2]=4 9 B14R2.114 O=C(C1=CC=CC=C1)C2=CNC=N2 34598 [0,1,0,0,0,0|0,0,1]=2 10 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 34736 [0,0,0,0,1,0|1,0,1]=3 11 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 19994 [0,0,0,0,1,0|2,0,0]=3 12 B12R2.2 C1=CC=C(C2=CC=NN2)C=C1 10422 [0,0,0,0,1,0|2,0,1]=4 13 B12R2.2 C1=CC=C(C2=CCCC2)C=C1 29714 [0,0,0,0,1,0|2,0,1]=4 14 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 19025 [0,0,0,0,1,0|1,0,1]=3 15 B12R2.2 C1=CC=C(C2=CNC=N2)C=C1 7224 [0,0,0,0,1,0|0,0,0]=1 16 B12R2.2 C1=CC=C(C2=CNN=C2)C=C1 27839 [0,0,0,0,1,0|2,0,0]=3 17 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 15973 [0,0,0,0,1,0|2,0,0]=3 18 B12R2.2 C1=CC=C(C2=NN=NN2)C=C1 9132 [0,0,0,0,1,0|2,0,1]=4 19 B12R2.2 C1=CC=C(N2C=CC=N2)C=C1 13276 [0,0,0,0,1,0|2,0,0]=3 20 B12R2.2 C1=CC=C(N2C=CN=C2)C=C1 12611 [0,0,0,0,1,0|2,0,1]=4 21 B12R2.2 C1=CC=C(N2C=CN=N2)C=C1 23681 [0,0,0,0,1,0|3,0,0]=4 22 B12R2.2 C1=CC=C(N2C=NC=N2)C=C1 23693 [0,0,0,0,1,0|1,0,1]=3 23 B12R2.2 C1=CC=C(N2N=CC=N2)C=C1 23682 [0,0,0,0,1,0|3,0,0]=4 24 B12R2.2 C1=CN=C(C2=NC=CS2)C=C1 26075 [0,0,0,0,1,0|3,0,0]=4 25 B12R2.2 C1=CN=CC(C2=CNC=C2)=C1 16494 [0,0,0,0,1,0|2,0,0]=3 26 B12R2.2 C1=CN=CC(C2=NC=CN2)=C1 34695 [0,0,0,0,1,0|3,0,0]=4 27 B12R2.2 C1=CN=CC(C2=NC=CS2)=C1 34589 [0,0,0,0,1,0|3,0,0]=4 28 B12R2.98 C1=CSC(CC2=CC=CS2)=C1 15765 [0,0,0,0,1,0|3,0,0]=4 29 B14R2.6 C1=CC=C(NC2=NC=CC=N2)C=C1 23552 [0,0,0,0,0,1|2,0,0]=3 30 B14R2.6 C1=CC=C(OC2=CC=CC=C2)C=C1 9111 [0,0,0,0,0,1|3,0,0]=4 31 B14R2.6 C1=CC=C(SC2=CC=CC=C2)C=C1 10681 [0,0,0,0,0,1|3,0,0]=4 32 B14R2.6 C1=CC=C([I+]C2=CC=CC=C2)C=C1 35589 [0,0,0,0,0,1|3,0,0]=4 33 B14R2.6 C1=CC=C([I+]C2=CC=CC=C2)C=C1 35742 [0,0,0,0,0,1|3,0,0]=4 34 B14R2.101 C1=CC=C(CON2C=CN=C2)C=C1 31817 [0,0,0,0,0,1|2,0,1]=4 35 B14R2.101 C1=CC=C(CSC2=NN=NN2)C=C1 9170 [0,0,0,0,0,1|2,0,1]=4 36 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 20207 [0,1,1,0,0,0|2,0,0]=4 37 B13R2.10 BrC1=CN(C2=CC=CC=C2)N=C1 13291 [0,1,0,0,1,0|2,0,0]=4 38 B13R2.10 BrC1=CN=C(C2=CC=CC=C2)S1 24657 [0,1,0,0,1,0|2,0,0]=4 39 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 33678 [0,1,0,0,1,0|2,0,0]=4 40 B13R2.10 BrC1=NC(C2=CC=CC=C2)=CS1 35124 [0,1,0,0,1,0|1,0,0]=3 41 B13R2.10 BrC1=NC(C2=NC=CC=C2)=CS1 24658 [0,1,0,0,1,0|2,0,0]=4 42 B13R2.10 CC1=CN(C2=CC=CC=C2)N=C1 13268 [0,1,0,0,1,0|2,0,0]=4 43 B13R2.10 ClC1=CN(C2=CC=CC=C2)N=C1 13288 [0,1,0,0,1,0|2,0,0]=4 44 B13R2.10 ClC1=NC(C2=CC=CC=C2)=CS1 22745 [0,1,0,0,1,0|1,0,0]=3 45 B13R2.10 ClC1=NC=C(C2=CC=CC=C2)S1 17224 [0,1,0,0,1,0|1,0,1]=4 46 B13R2.10 IC1=CN(C2=CC=CC=C2)N=C1 13298 [0,1,0,0,1,0|2,0,0]=4 47 B13R2.10 NC1=CC(C2=CC=CC=C2)=NN1 25932 [0,1,0,0,1,0|2,0,0]=4 48 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 15538 [0,1,0,0,1,0|2,0,0]=4 49 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 27480 [0,1,0,0,1,0|1,0,0]=3 50 B13R2.10 NC1=NC(C2=NC=CC=C2)=CS1 23362 [0,1,0,0,1,0|2,0,0]=4 51 B13R2.10 NC1=NC=C(C2=CC=CC=C2)S1 24996 [0,1,0,0,1,0|1,0,1]=4 52 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 22709 [0,1,0,0,1,0|2,0,0]=4 53 B13R2.10 SC1=NC(C2=CC=NC=C2)=CS1 14047 [0,1,0,0,1,0|2,0,0]=4 54 B13R2.12 BrC1=CC=C(C2=CC=CO2)C=C1 2039 [0,1,0,0,1,0|2,0,0]=4 55 B13R2.12 BrC1=CC=C(C2=CNN=C2)C=C1 23524 [0,1,0,0,1,0|2,0,0]=4 56 B13R2.12 BrC1=CC=C(C2=NC=CN2)C=C1 27857 [0,1,0,0,1,0|2,0,0]=4 57 B13R2.12 BrC1=CC=C(C2=NNC=C2)C=C1 10410 [0,1,0,0,1,0|2,0,0]=4 58 B13R2.12 CC1=CC=C(C2=C[N-]N=N2)C=C1 18117 [0,1,0,0,1,0|1,0,1]=4 59 B13R2.12 CC1=CC=C(C2=NC=CN2)C=C1 33646 [0,1,0,0,1,0|2,0,0]=4 60 B13R2.12 CC1=CC=C(C2=NC=CS2)C=C1 34686 [0,1,0,0,1,0|2,0,0]=4 61 B13R2.12 CC1=CC=C(N2C=CC=N2)C=C1 13282 [0,1,0,0,1,0|2,0,0]=4 62 B13R2.12 FC1=CC=C(C2=CC=CS2)C=C1 27261 [0,1,0,0,1,0|2,0,0]=4 63 B13R2.12 FC1=CC=C(C2=NC=CN2)C=C1 24972 [0,1,0,0,1,0|2,0,0]=4 64 B13R2.12 NC1=CC=C(C2=CC=CS2)C=C1 12352 [0,1,0,0,1,0|2,0,0]=4 65 B13R2.12 NC1=CC=C(C2=NC=CN2)C=C1 24969 [0,1,0,0,1,0|2,0,0]=4 66 B13R2.12 NC1=CC=C(N2C=CC=N2)C=C1 22682 [0,1,0,0,1,0|2,0,0]=4 67 B13R2.12 Nc1ccc(-n2cncn2)cc1 3927 [0,1,0,0,1,0|1,0,1]=4 68 B13R2.12 OC1=CC=C(C2=CC=CS2)C=C1 12354 [0,1,0,0,1,0|2,0,0]=4 69 B13R2.12 OC1=CC=C(C2=NC=CN2)C=C1 24971 [0,1,0,0,1,0|2,0,0]=4 70 B13R2.12 OC1=CC=C(N2C=NC=N2)C=C1 36101 [0,1,0,0,1,0|1,0,1]=4 71 B13R2.13 BrC1=CC=CC(C2=COC=N2)=C1 28117 [0,1,0,0,1,0|1,0,0]=3 72 B13R2.13 CC1=CC(C2=CN=CN2)=CC=C1 22688 [0,1,0,0,1,0|0,0,2]=4 73 B13R2.13 CC1=CC(N2C=CC=N2)=CC=C1 23689 [0,1,0,0,1,0|2,0,0]=4 74 B13R2.13 ClC1=CC=CC(C2=CN=CO2)=C1 8707 [0,1,0,0,1,0|1,0,1]=4 75 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 27838 [0,1,0,0,1,0|2,0,0]=4 76 B13R2.18 BrC1=C(C2=NC=CN2)C=CC=C1 24955 [0,1,0,0,1,0|2,0,0]=4 77 B13R2.18 Cc1ccccc1-n2cccn2 23688 [0,1,0,0,1,0|2,0,0]=4 78 B13R2.18 ClC1=C(C2=CN=CO2)C=CC=C1 8709 [0,1,0,0,1,0|1,0,1]=4 79 B15R2.29 BrC1=CN=C(OC2=CC=CC=C2)C=C1 22136 [0,1,0,0,0,1|2,0,0]=4 80 B15R2.29 ClC1=CC=C(CC2=NC=CC=C2)C=C1 20810 [0,1,0,0,0,1|1,0,0]=3 81 B15R2.29 NC1=CC=C(CC2=CC=CC=C2)C=C1 18531 [0,1,0,0,0,1|2,0,0]=4 82 B15R2.29 NC1=NC=C(OC2=CC=CC=C2)C=N1 32250 [0,1,0,0,0,1|1,0,1]=4 83 B15R2.31 BrC1=CC(OC2=CC=CC=C2)=CN=C1 20209 [0,1,0,0,0,1|2,0,0]=4 84 B15R2.38 OC1=C(CC2=CC=CC=C2)C=CC=C1 22151 [0,1,0,0,0,1|2,0,0]=4 85 B15R2.2226 BrC(C1=CC=CC=C1)C2=CC=CC=C2 16842 [0,1,0,0,0,1|2,0,0]=4 86 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 16088 [0,1,0,0,0,1|2,0,0]=4 87 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=CC=C2 14509 [0,1,0,0,0,1|2,0,0]=4 88 B15R2.297 CN1C=CC(C(=O)C2=CC=CC=C2)=C1 27357 [0,2,0,0,0,0|1,0,1]=4 89 B15R2.359 CC1=C(CC2=NNC=C2I)C=CC=C1 22832 [0,2,0,0,0,0|2,0,0]=4 90 B15R2.34 N#CC1=CC=C(CC2=NNC=N2)C=C1 14356 [0,2,0,0,0,0|1,0,0]=3 91 B13R2.3 C1=CC=C(C2=CC=CN=C2)C=C1 9110 [0,0,1,1,0,0|1,0,1]=4 92 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 13085 [0,0,1,1,0,0|1,0,1]=4 93 B15R3.3 C1=CC=C2C(=C1)CC3=C2C=CC=C3 28994 [0,0,0,1,0,1|2,0,0]=4 94 B15R3.3 C1=CC=C2C(=C1)NC3=C2C=CN=C3 36212 [0,0,0,1,0,1|2,0,0]=4 95 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 20894 [0,0,0,0,2,0|0,0,2]=4 96 B15R2.2195 C1=CC=C(CCC2=CC=CC=C2)C=C1 7518 [0,0,0,0,0,2|2,0,0]=4 97 B15R2.2195 C1=CC=C(CNC2=CC=CC=C2)C=C1 35030 [0,0,0,0,0,2|2,0,0]=4 98 B15R2.2195 C1=CC=C(CNC2=CC=NC=C2)C=C1 19071 [0,0,0,0,0,2|1,0,1]=4 99 B15R2.2195 C1=CC=C(CSC2=CC=CC=C2)C=C1 13528 [0,0,0,0,0,2|2,0,0]=4