0 B12R2.18 CC1=C(NC2=CC=CC=C12)C 8616 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.18 Cc1c([nH]c2c1cccc2)C D0124 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.10 C1=CC2=C(NC(=O)O2)N=C1 9603 [1,0,0,0,0,0|2,0,0]=3 3 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 9606 [1,0,0,0,0,0|1,0,0]=2 4 B11R2.10 C1=CC=C2C(=C1)NC(=O)S2 8011 [1,0,0,0,0,0|1,0,0]=2 5 B11R2.10 C1C(=O)CC2=CC=CC=C21 8484 [1,0,0,0,0,0|2,0,0]=3 6 B11R2.10 C1C2=CC=CC=C2NC1=O 8296 [1,0,0,0,0,0|1,0,0]=2 7 B11R2.10 C1C2=CC=CC=C2NC1=O 8629 [1,0,0,0,0,0|1,0,0]=2 8 B11R2.10 CC1=CC2=CC=CC=C2N1 6155 [1,0,0,0,0,0|2,0,0]=3 9 B13R2.45 CN1C2=CC=CC=C2N=C1C=O 8821 [0,1,0,0,0,0|1,0,1]=3 10 B13R2.45 Cc1c2ccccc2[nH]c1C=O M1592 [0,1,0,0,0,0|2,0,0]=3 11 B13R2.3028 C1=CC2=C(C=C1Br)C(=O)C(=O)N2 6717 [0,1,0,0,0,0|1,0,1]=3 12 B13R2.3028 C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 6054 [0,1,0,0,0,0|1,0,1]=3 13 B13R2.3028 C1=CC2=C(C=C1F)C(=O)C(=O)N2 6400 [0,1,0,0,0,0|1,0,1]=3 14 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 M0149 [0,1,0,0,0,0|1,0,1]=3 15 B13R2.4825 C1=CC2=C(C(=C1)F)NC(=O)C2=O 8910 [0,1,0,0,0,0|1,0,1]=3 16 B13R2.4856 C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 9454 [0,1,0,0,0,0|1,0,1]=3 17 B13R2.5190 C1=CC2=C(C=C1Br)NC(=O)C2=O 9960 [0,1,0,0,0,0|1,0,1]=3 18 B13R2.5190 C1=CC2=C(C=C1F)NC(=O)C2=O 8142 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O 9216 [0,0,1,0,0,0|2,0,0]=3 20 B11R1.36 CC(C1=CC=CC=C1)C(=O)O 9014 [0,0,1,0,0,0|3,0,0]=4 21 B10R1.18 C1=CC(=CN=C1)CC(=O)O 9059 [1,0,1,0,0,0|2,0,0]=4 22 B10R1.18 C1=CC=C(C=C1)NC(=O)N 10186 [1,0,1,0,0,0|0,0,0]=2 23 B10R1.18 C1=CC=C(C=C1)NC(=O)N 6814 [1,0,1,0,0,0|0,0,0]=2 24 B10R1.20 C1=CC=C(C(=C1)C=O)C#N 8643 [1,0,1,0,0,0|2,0,0]=4 25 B10R1.61 C1=CC(=C(N=C1)C(=O)O)N 10236 [1,0,1,0,0,0|2,0,0]=4 26 B10R1.61 C1=CC(=C(N=C1)N)C(=O)O 8982 [1,0,1,0,0,0|2,0,0]=4 27 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 10438 [1,0,1,0,0,0|2,0,0]=4 28 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 5361 [1,0,1,0,0,0|2,0,0]=4 29 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I 10195 [1,0,1,0,0,0|2,0,0]=4 30 B10R1.61 C1=CN=CC(=C1N)C(=O)O 9973 [1,0,1,0,0,0|2,0,0]=4 31 B10R1.61 CC(c1ccccc1N)O A1015 [1,0,1,0,0,0|1,0,1]=4 32 B10R2.7 C1=CC2=C(NC=C2)N=C1 10095 [2,0,0,0,0,0|2,0,0]=4 33 B10R2.7 C1=CC=C2C(=C1)C=CO2 9001 [2,0,0,0,0,0|2,0,0]=4 34 B10R2.7 C1=CNC2=C1C=NC=C2 9955 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br 5459 [0,1,1,0,0,0|2,0,0]=4 36 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)F 5356 [0,1,1,0,0,0|2,0,0]=4 37 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O 8773 [0,1,1,0,0,0|1,0,0]=3 38 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)F 5666 [0,1,1,0,0,0|2,0,0]=4 39 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)F 6186 [0,1,1,0,0,0|2,0,0]=4 40 B12R1.50 C1=CC(=CC(=C1)F)NC(=O)CCl 5581 [0,1,1,0,0,0|2,0,0]=4 41 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O 5481 [1,1,0,0,0,0|1,0,1]=4 42 B12R2.612 Cn1cnc2c1ccc(c2)N M2002 [1,1,0,0,0,0|1,0,1]=4 43 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO 8088 [1,1,0,0,0,0|1,0,1]=4 44 B12R2.32 c1ccc2c(c1)cc([nH]2)C#N C1259 [1,1,0,0,0,0|2,0,0]=4 45 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O I2648 [1,1,0,0,0,0|1,0,0]=3 46 B12R2.32 c1ccc2c(c1)cc([nH]2)CN A0090 [1,1,0,0,0,0|2,0,0]=4 47 B12R2.32 c1ccc2c(c1)cc([nH]2)CO I2706 [1,1,0,0,0,0|1,0,1]=4 48 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 6498 [1,1,0,0,0,0|0,0,0]=2 49 B12R2.606 C1C2=C(C=CC(=C2)Br)NC1=O 8539 [1,1,0,0,0,0|1,0,0]=3 50 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C 6591 [1,1,0,0,0,0|2,0,0]=4 51 B14R2.1146 C1=CC=C2C(=C1)C(=CC(=O)N2)CBr 9864 [0,1,0,0,0,1|2,0,0]=4