0 B10R1.25 Cc1cc(ccc1NN)Br AHY-0081 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.25 Cc1cc(ccc1NN)Cl AHY-0051 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.25 Cc1cc(ccc1[N+]#[C-])Br ISN-0727 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.25 Cc1cc(ccc1[N+]#[C-])Cl ISN-0728 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.25 Cc1ccc(c(c1)Br)NN AHY-0034 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.25 Cc1ccc(c(c1)C)NN AHY-0030 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.25 [C-]#[N+]c1ccc(cc1Cl)Cl ISN-0059 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.25 [C-]#[N+]c1ccc(cc1F)Cl ISN-0065 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.25 [C-]#[N+]c1ccc(cc1F)F ISN-0096 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.25 c1cc(c(cc1Br)Br)NN AHY-0087 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.25 c1cc(c(cc1Br)Cl)NN AHY-0094 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.25 c1cc(c(cc1Br)F)NN AHY-0023 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.25 c1cc(c(cc1F)Br)C=O MIX-0611 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.25 c1cc(c(cc1F)Cl)C=O MIX-0629 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.25 c1cc(c(cc1F)F)NN AHY-0011 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.1 [C-]#[N+]c1ccc(cc1)Br ISN-0517 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl ISN-0726 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.1 [C-]#[N+]c1ccc(cc1)F ISN-0523 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.1 c1cc(ccc1NN)I AHY-0045 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.15 [C-]#[N+]c1ccccc1I ISN-0516 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.15 c1cc(c(nc1)Br)C=O MIX-0002 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.15 c1ccc(c(c1)NN)I AHY-0016 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.69 Cc1ccc(c(c1)N)N MIX-0044 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.464 Cc1cc(c(c(c1)C)NN)C AHY-0028 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.22 Cc1c(cn(n1)C)C=O MIX-0624 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.132 Cc1c(cnn1C)C=O MIX-0151 [0,0,0,0,1,0|3,0,0]=4 26 B10R1.3 CCc1ccc(cc1)NN AHY-0050 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.3 CCc1ccc(cc1)[N+]#[C-] ISN-0078 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.3 COc1ccc(cc1)NN AHY-0048 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.3 COc1ccc(cc1)[N+]#[C-] ISN-0053 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.13 c1cc(ncc1O)C(=O)O MIX-0152 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.176 Cc1ccc(cc1C)NN AHY-0031 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.176 Cc1ccc(cc1C)[N+]#[C-] ISN-0085 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.176 Cc1ccc(cc1Cl)NN AHY-0002 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.176 Cc1ccc(cc1Cl)[N+]#[C-] ISN-0068 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.20 COc1ccccc1NN AHY-0040 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.20 COc1ccccc1[N+]#[C-] ISN-0051 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.78 COc1ccc(c(c1)OC)[N+]#[C-] ISN-0729 [0,2,0,0,0,0|2,0,0]=4 38 B12R1.233 Cc1ccc(c(c1)C)CC(=O)O PAA-0003 [0,2,0,0,0,0|1,0,0]=3 39 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O PAA-0228 [0,2,0,0,0,0|2,0,0]=4 40 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O PAA-0230 [0,2,0,0,0,0|2,0,0]=4 41 B12R2.606 Cc1ccc2c(c1)CC(=O)N2 MIX-0858 [0,1,0,1,0,0|1,0,0]=3 42 B12R2.606 Cc1ccc2c(c1)sc(n2)N ABT-0066 [0,1,0,1,0,0|1,1,0]=4 43 B12R2.44 COc1ccc2cc[nH]c2c1 MIX-0063 [0,1,0,1,0,0|2,0,0]=4 44 B8R1.1 Cn1cc(cn1)C=O MIX-0270 [1,0,0,0,1,0|2,0,0]=4