0 B13R2.1613 CNC1=NN=CC2=CC=CC=C21 F51706 [0,0,0,0,0,0|1,0,0]=1 1 B13R2.1613 COC1=NC=CC2=CC=CC=C21 C15382 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.1613 NCC1=C2C=CN=CC2=CC=C1 20474 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.1613 NCC1=C2C=NC=CC2=CC=C1 F14024 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.1613 NCC1=C2N=CC=CC2=CC=C1 C77643 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.1613 NCC1=NC=CC2=CC=CC=C21 25855 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.1613 NNC1=NC=CC2=CC=CC=C21 F16016 [0,0,0,0,0,0|1,0,0]=1 7 B13R2.1613 NNC1=NC=NC2=CC=CC=C21 AC5998 [0,0,0,0,0,0|2,0,0]=2 8 B13R2.1613 O=CC1=CN=CC2=CN=CC=C12 36266 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.1613 OCC1=CN=CC2=CC=CC=C21 89023 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.1081 ClC1=NN=NC2=CC=CC=C21 AT14199 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.1081 O=C1NN=CC2=C1C=NC=C2 84846 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.1081 O=C1NN=CC2=CC=CN=C12 84844 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.1081 OC1=NC=CC2=CC=CN=C21 54218 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.1081 [2H]C1=CC=CC2=CC=CC=C12 D98917 [1,0,0,0,0,0|3,0,0]=4 15 B14R2.203 ClCC1=C(Cl)N=CC2=CC=CC=C21 55183 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.203 N#CC1=C(Cl)N=CC2=CC=CC=C21 O10992 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.203 O=CC1=C(Cl)N=CC2=CC=CC=C21 27506 [0,1,0,0,0,0|3,0,0]=4 18 B14R2.203 OCC1=C(Cl)N=CC2=CC=CC=C21 55182 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.1073 COC1=C2C=CC(Cl)=CC2=CN=C1 F15336 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.1078 COC1=C2C=CC=C(Br)C2=CC=N1 AT25640 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.1078 N#CC1=C2C=CC=C(F)C2=CC=N1 81017 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.1131 CCC1=NNC(=O)C2=C1C=CC=C2 F51106 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.1131 NCC1=NNC(=O)C2=C1C=CC=C2 D74986 [0,1,0,0,0,0|1,0,1]=3 24 B14R2.1131 N\N=C1\NN=C(Cl)C2=C1C=CC=C2 C11124 [0,1,0,0,0,0|0,0,2]=3 25 B14R2.1146 N#CC1=NC(F)=CC2=CC=CC=C21 80874 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.1146 NNC1=CC(=O)NC2=C1C=CC=C2 F52341 [0,1,0,0,0,0|3,0,0]=4 27 B14R2.7150 NNCC1=CC=CC2=CC=CC=C21 AC3091 [0,1,0,0,0,0|2,0,0]=3 28 B14R2.11684 COC1=C2C=C(Br)C=CC2=CC=N1 C91488 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.77 N#CC1=C(C(=O)NN)C=CC=C1 O10762 [0,0,1,0,0,0|1,0,2]=4 30 B12R2.1 COC1=NNC2=C1C=CC=C2 P11898 [0,0,0,0,1,0|2,0,1]=4 31 B12R2.1 NCC1=C2C=CC=CN2C=N1 70901 [0,0,0,0,1,0|2,0,0]=3 32 B12R2.1 NCC1=CNC2=C1C=CC=C2 C80078 [0,0,0,0,1,0|2,0,1]=4 33 B12R2.1 NCC1=COC2=C1C=CC=C2 AC4652 [0,0,0,0,1,0|3,0,0]=4 34 B12R2.1 NCC1=NN=C2C=CC=CN21 A12939 [0,0,0,0,1,0|2,0,0]=3 35 B12R2.1 NCC1=NN=C2N=CC=CN12 P18976 [0,0,0,0,1,0|3,0,0]=4 36 B12R2.1 NCC1=NNC2=NC=CC=C12 P12056 [0,0,0,0,1,0|2,0,1]=4 37 B12R2.1 O=CC1=C2C=CC=CC2=NN1 F17858 [0,0,0,0,1,0|2,0,1]=4 38 B12R2.1 O=CC1=NN=C2C=CC=CN12 D78708 [0,0,0,0,1,0|3,0,0]=4 39 B12R2.315 NCC1=NC=CC2=C1C=CO2 72309 [0,0,0,0,1,0|3,0,0]=4 40 B11R1.53 N#CC1=C(C(=N)N)C=CC=C1 AC1590 [1,0,1,0,0,0|0,0,2]=4 41 B11R2.20 C1=CC2=CC=NC=C2C=N1 69947 [2,0,0,0,0,0|2,0,0]=4 42 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=N1 36192 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.32 CN1N=CC2=C(C=CC=C2)C1=O N16864 [1,1,0,0,0,0|1,0,1]=4 44 B13R2.32 NC1=C(Br)N=CC2=CC=CC=C21 27185 [1,1,0,0,0,0|1,0,0]=3 45 B13R2.32 NC1=C(Cl)C2=CC=CC=C2C=N1 91248 [1,1,0,0,0,0|2,0,0]=4 46 B13R2.32 OC1=C(Cl)N=CC2=CC=CC=C21 CL1036 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.162 CC1=CC=C2C=CC=C(N)C2=C1 C16241 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.162 CC1=CC=C2C=CN=C(Cl)C2=C1 F30684 [1,1,0,0,0,0|2,0,0]=4 49 B13R2.162 FC1=C2C=C(Br)C=CC2=CC=N1 55505 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.162 FC1=CC=C2C=NN=C(Cl)C2=C1 C74232 [1,1,0,0,0,0|1,0,0]=3 51 B13R2.162 NC1=CC2=C(C=C1)C=NNC2=O 94681 [1,1,0,0,0,0|1,0,1]=4 52 B13R2.162 OC1=CC=C2C=CN=C(Cl)C2=C1 C73233 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.342 BrC1=NC=CC2=C(Br)C=CC=C12 94409 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.342 CC1=C2C=CC=C(Br)C2=CC=N1 96527 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.342 CC1=C2C=CC=C(Br)C2=CN=C1 79348 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.342 FC1=C2C=CN=C(Br)C2=CC=C1 83745 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.371 BrC1=CN=C(I)C2=CC=CC=C12 W17800 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.371 NC1=CC=C(O)C2=CC=CC=C12 C16048 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.371 NC1=NN=C(Cl)C2=CC=CC=C21 AT26544 [1,1,0,0,0,0|0,0,0]=2 60 B13R2.371 NC1=NNC(=O)C2=C1C=CC=C2 AT26552 [1,1,0,0,0,0|0,0,1]=3 61 B13R2.371 OC1=NC=C(F)C2=CC=CC=C21 73660 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.4818 ClC1=C2C(Br)=CC=CC2=CN=C1 33303 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.4818 OC1=C2C(=CC=C1)C=CN=C2Cl F53713 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.4818 OC1=C2C(Br)=CC=CC2=CC=N1 P18193 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.4818 OC1=C2C(Br)=CN=CC2=CC=C1 K10067 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.5179 BrC1=CC=C2C(=C1)C=CN=C2Br D80052 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=N1 81072 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.1 NCCC1=NN=C2C=CC=CN21 C16743 [0,1,0,0,1,0|2,0,0]=4 69 B13R2.9 NCC1=NN=C2C(Cl)=CC=CN12 O10145 [0,1,0,0,1,0|2,0,0]=4 70 B13R2.72 C[C@H](N)C1=NN=C2C=CC=CN21 W11749 [0,1,0,0,1,0|2,0,0]=4 71 B13R2.662 CC1=CC2=NN=C(CN)N2C=C1 E72588 [0,1,0,0,1,0|2,0,0]=4 72 B13R2.2136 CC1=CN2C(=NN=C2CN)C=C1 72006 [0,1,0,0,1,0|2,0,0]=4 73 B15R2.89947 NNC1=C2C(=O)NC=CC2=CC(Cl)=N1 57721 [0,2,0,0,0,0|2,0,0]=4 74 B15R2.79765 NNC(=O)C1=CN=CC2=CC=CC=C21 78372 [0,2,0,0,0,0|1,0,0]=3 75 B13R2.3 C1=CC=C(C2=CC=CN=N2)C=C1 O11049 [0,0,1,1,0,0|2,0,0]=4 76 B13R2.15 CN1C=NC=C1C2=CC=CC=C2 91616 [0,0,1,1,0,0|2,0,0]=4 77 B13R2.15 CN1C=NN=C1C2=CC=CC=C2 F51134 [0,0,1,1,0,0|1,0,0]=3 78 B13R2.3085 NN1C(=O)C2=C(C=CC=C2)C1=O S11319 [0,0,1,1,0,0|2,0,0]=4 79 B11R2.1 BrC1=NC=C2C=CC=CN21 C72097 [1,0,0,0,1,0|2,0,0]=4 80 B11R2.1 CC1=C2C=CC=CC2=NO1 AC6101 [1,0,0,0,1,0|2,0,0]=4 81 B11R2.1 IC1=NN=C2C=CC=CN12 D78709 [1,0,0,0,1,0|2,0,0]=4 82 B11R2.1 NC1=NN=C2C=CC=CN12 92122 [1,0,0,0,1,0|1,0,0]=3 83 B11R2.1 ON1N=CC2=C1C=CC=C2 E70293 [1,0,0,0,1,0|2,0,0]=4 84 B11R2.106 ClC1=NN=CC2=C1C=CO2 91176 [1,0,0,0,1,0|2,0,0]=4 85 B11R2.106 ClC1=NN=CC2=C1C=CS2 94723 [1,0,0,0,1,0|2,0,0]=4 86 B11R2.106 NC1=C2SC=CC2=CC=N1 P10786 [1,0,0,0,1,0|2,0,0]=4 87 B11R2.106 OC1=NN=CC2=C1C=CO2 91175 [1,0,0,0,1,0|2,0,0]=4