0 B12R2.1081 C1=CC2=C(C(=C1)N)N=CC=C2 6838 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 6840 [0,0,0,0,0,0|0,0,0]=0 2 B12R2.1081 C1=CC2=C(C=CN=C2)C(=C1)N 9513 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.1081 C1=CC2=C(C=NC=C2)C(=C1)Br 8097 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.1081 C1=CC=C2C(=C1)C(=NC=N2)N Q1259 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 8254 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2F 5357 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2N 10679 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.1081 CC1=C2C(=CC=C1)N=CC=N2 10554 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.1081 CC1=CC=CC2=C1N=CC=C2 8385 [0,0,0,0,0,0|1,0,0]=1 10 B12R2.1081 CC1=CC=NC2=CC=CC=C12 9629 [0,0,0,0,0,0|3,0,0]=3 11 B11R2.20 C1=CC=C2C(=C1)N=CC=N2 6803 [1,0,0,0,0,0|1,0,0]=2 12 B11R2.20 C1=CC=C2C=CC=CC2=C1 5853 [1,0,0,0,0,0|1,0,0]=2 13 B13R2.162 CC1=NC2=C(C=CC=C2Cl)C=C1 8225 [0,1,0,0,0,0|1,0,0]=2 14 B13R2.162 CC1=NC2=C(C=CC=C2O)C=C1 6749 [0,1,0,0,0,0|0,0,0]=1 15 B13R2.328 CC1=NC2=CC=CC=C2C(=C1)Cl 10256 [0,1,0,0,0,0|3,0,0]=4 16 B13R2.342 C1CC2=C(C=CC=C2O)C(=O)C1 9190 [0,1,0,0,0,0|1,0,2]=4 17 B13R2.342 C1CC2=C(C=CC=C2O)C(=O)C1 9869 [0,1,0,0,0,0|1,0,2]=4 18 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)O)Cl 5171 [0,1,0,0,0,0|0,0,0]=1 19 B13R2.371 C1=CC=C2C(=C1)C(=CC=C2Br)O 9378 [0,1,0,0,0,0|1,0,0]=2 20 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2C=O 8859 [0,1,0,0,0,0|1,0,1]=3 21 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2CN 10484 [0,1,0,0,0,0|2,0,0]=3 22 B13R2.4818 C1=CC2=C(C(=C1)O)C(=CC=C2)O 8651 [0,1,0,0,0,0|1,0,0]=2 23 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O 9616 [0,1,0,0,0,0|1,0,0]=2 24 B13R2.5179 C1=CC2=C(C=CN=C2C=C1Cl)Cl 6761 [0,1,0,0,0,0|3,0,0]=4 25 B13R2.5179 C1=CC2=C(C=CN=C2C=C1Cl)Cl 8505 [0,1,0,0,0,0|3,0,0]=4 26 B11R2.106 C1=CC2=C(C(=C1)Br)NC=C2 6463 [0,0,0,0,1,0|1,0,1]=3 27 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Br 8233 [0,0,0,0,1,0|2,0,0]=3 28 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Cl 8597 [0,0,0,0,1,0|2,0,0]=3 29 B11R2.106 C1=CC2=C(C=CN2)C(=C1)N 8034 [0,0,0,0,1,0|2,0,0]=3 30 B11R2.106 C1=CC2=C(C=CN2)C(=C1)O 9531 [0,0,0,0,1,0|1,0,0]=2 31 B11R2.106 C1=CNC2=NC=CC(=C21)Br 9398 [0,0,0,0,1,0|3,0,0]=4 32 B10R1.17 C1=CC=C(C=C1)\C=C\C#N 9698 [1,0,1,0,0,0|0,0,2]=4 33 B10R1.61 C1=CC(=C(N=C1)C(=O)O)N 10236 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.226 C1=CC(=CC(=C1)F)\C=C\C(=O)O 6032 [0,1,1,0,0,0|2,0,0]=4 35 B12R1.261 C1=CC(=C(N=C1)C(=O)O)C(=O)O 5223 [0,1,1,0,0,0|2,0,0]=4 36 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 10535 [1,1,0,0,0,0|0,0,0]=2 37 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 9159 [1,1,0,0,0,0|0,0,0]=2 38 B12R2.24 C1=CC2=C(C=CN=C2)C=C1Br 9970 [1,1,0,0,0,0|2,0,0]=4 39 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br 6528 [1,1,0,0,0,0|0,0,0]=2 40 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Br 8120 [1,1,0,0,0,0|1,0,0]=3 41 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O 5805 [1,1,0,0,0,0|1,0,0]=3 42 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 8882 [1,1,0,0,0,0|0,0,0]=2 43 B12R2.24 c1cc2ccc(cc2nc1)O 5993 [1,1,0,0,0,0|0,0,0]=2 44 B12R2.196 CN1C=CC2=C(C=CN=C21)Cl 8446 [0,1,0,0,1,0|2,0,0]=4 45 B12R2.2028 C1=CC2=C(C(=O)OC2=O)N=C1 5709 [0,1,0,0,1,0|1,0,1]=4 46 B12R2.221 c1cc(c2cc[nH]c2c1F)Br F5649 [0,1,0,0,1,0|1,0,1]=4 47 B12R2.246 c1c[nH]c2c1cc(cc2F)Br B2558 [0,1,0,0,1,0|1,0,1]=4 48 B12R2.246 c1c[nH]c2c1cc(cc2F)Br F5682 [0,1,0,0,1,0|1,0,1]=4 49 B12R2.315 c1cc(c2cc[nH]c2c1)CN A1245 [0,1,0,0,1,0|2,0,0]=4 50 B14R2.7724 C1=CC2=C(C(=C(C=C2Br)Br)O)N=C1 5737 [0,2,0,0,0,0|0,0,0]=2 51 B14R2.1019 COC1=CC(=C2C(=C1)C=CC=N2)N 5831 [0,2,0,0,0,0|1,0,0]=3 52 B14R2.1131 C1=CC=C2C(=C1)C(=CC=C2F)C#N 9246 [0,2,0,0,0,0|2,0,0]=4 53 B14R2.7150 C1=CC=C2C(=C1)C=CC=C2CC#N 10203 [0,2,0,0,0,0|2,0,0]=4 54 B14R2.31359 B(C1=CC=CC2=CC=CC=C12)(O)O 10617 [0,2,0,0,0,0|1,0,0]=3 55 B14R2.31359 C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2 9414 [0,2,0,0,0,0|0,0,1]=3 56 B14R2.31359 C1=CC=C2C(=C1)C=CC=C2C(=O)N 8823 [0,2,0,0,0,0|1,0,1]=4 57 B14R2.31359 CC(=O)C1=CC=CC2=CC=CC=C21 6797 [0,2,0,0,0,0|1,0,1]=4 58 B14R2.31359 C[C@H](C1=CC=CC2=CC=CC=C21)N 8497 [0,2,0,0,0,0|2,0,0]=4 59 B10R2.7 C1=CC2=C(NC=C2)N=C1 10095 [1,0,0,0,1,0|1,0,0]=3 60 B10R2.7 C1=CC2=NC=CN2C=C1 8887 [1,0,0,0,1,0|1,0,0]=3 61 B10R2.7 C1=CC=C2C(=C1)C=CO2 9001 [1,0,0,0,1,0|1,0,0]=3 62 B10R2.7 C1=CNC2=C1C=NC=C2 9955 [1,0,0,0,1,0|1,0,1]=4