0 B10R1.13 CC(N)C1=CC=C(Br)C=C1 PKCBB_02244 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 PKCBB_00841 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.13 CC(N)C1=CC=C(F)C=C1 PKCBB_00913 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.13 CC1=CC=C(C(C)N)C=C1 PKCBB_00975 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.1 CC1=CC=C(CN)C=C1 PKCBB_00974 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.1 CNC1=CC=C(Cl)N=C1 PKCBB_01210 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.1 NCC1=CC=C(Br)C=C1 PKCBB_02242 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.1 NCC1=CC=C(Cl)C=C1 PKCBB_00840 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.1 NCC1=CC=C(F)C=C1 PKCBB_00912 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.6 CC(N)C1=CC=CC=C1 PKCBB_01014 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.6 CC(S)C1=CC=CN=C1 PKCBB_02051 [1,0,0,0,0,0|1,1,0]=3 11 B9R1.6 CC(S)C1=CC=NC=C1 PKCBB_02056 [1,0,0,0,0,0|1,1,0]=3 12 B9R1.6 CC(S)C1=NC=CC=C1 PKCBB_02046 [1,0,0,0,0,0|1,1,0]=3 13 B11R1.3 CCC1=CN=C(C(C)=O)C=C1 PKCBB_01273 [0,1,0,0,0,0|1,0,2]=4 14 B11R1.3 CCC1=CN=C(C(C)N)C=C1 PKCBB_00509 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.3 CCC1=CN=C(C(C)O)C=C1 PKCBB_00424 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.3 COC1=CC=C(C(C)N)C=C1 PKCBB_00874 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 PKCBB_02265 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.19 CC(C)(N)C1=CC=C(Cl)C=C1 PKCBB_00235 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 PKCBB_00923 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 PKCBB_01662 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.21 CC(N)C1=CC(Cl)=C(Cl)C=C1 PKCBB_00932 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 PKCBB_01075 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 PKCBB_02262 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.22 CC(CN)C1=CC=C(Cl)C=C1 PKCBB_02544 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.22 CC(CN)C1=CC=C(F)C=C1 PKCBB_00927 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.22 CC1=CC=C(C(C)CN)C=C1 PKCBB_01661 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.22 CC1=CC=C(\C(N)=N/O)C=C1 PKCBB_00001 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 PKCBB_02266 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.22 CCC(N)C1=CC=C(C)C=C1 PKCBB_00983 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 PKCBB_00210 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.22 CCC(N)C1=CC=C(F)C=C1 PKCBB_00921 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.22 N\C(=N/O)C1=CC=C(Br)C=C1 PKCBB_01690 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 PKCBB_01693 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.22 N\C(=N\O)C1=CC=C(Cl)C=C1 PKCBB_00006 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 PKCBB_00851 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 PKCBB_01064 [0,1,0,0,0,0|1,0,0]=2 37 B8R1.2 NCC1=CC=CC=C1 PKCBB_01006 [2,0,0,0,0,0|1,0,0]=3 38 B8R1.2 SCC1=CC=NC=C1 PKCBB_02053 [2,0,0,0,0,0|1,1,0]=4 39 B8R1.2 SCC1=NC=CC=C1 PKCBB_02004 [2,0,0,0,0,0|1,1,0]=4 40 B10R1.1 CC1=CC=C(CCN)C=C1 PKCBB_00962 [1,1,0,0,0,0|0,0,0]=2 41 B10R1.1 N#CCC1=CC=C(Br)C=C1 PKCBB_00324 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.1 NCCC1=CC=C(Br)C=C1 PKCBB_02263 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.1 NCCC1=CC=C(Cl)C=C1 PKCBB_00842 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.1 NCCC1=CC=C(F)C=C1 PKCBB_00928 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.3 COC1=CC=C(CN)C=C1 PKCBB_00873 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.25 CC1=CC(C)=C(CN)C=C1 PKCBB_01063 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.25 CC1=CC(C)=C(CN)C=N1 PKCBB_00256 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 PKCBB_00850 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.176 CC1=C(C)C=C(CN)C=C1 PKCBB_01085 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 PKCBB_00898 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.15 CC(C#N)C1=CC=CN=C1 PKCBB_02050 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.15 CC(C#N)C1=CC=NC=C1 PKCBB_02055 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.15 CC(C#N)C1=NC=CC=C1 PKCBB_02012 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.15 CC(CN)C1=CC=CC=C1 PKCBB_01020 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.15 CC(ON)C1=CC=NC=C1 PKCBB_02057 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.15 CC(ON)C1=NC=CC=C1 PKCBB_02047 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.15 CCC(N)C1=CC=CC=C1 PKCBB_01016 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.15 N\C(=N\O)C1=CC=CC=C1 PKCBB_00007 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.28 CC(C)(N)C1=CC=CC=C1 PKCBB_00452 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.61 CC(N)C1=C(Br)C=CC=C1 PKCBB_02240 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 PKCBB_00892 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.61 CC(N)C1=C(F)C=CC=C1 PKCBB_00947 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.61 CC(N)C1=CC=CC=C1O PKCBB_00434 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.61 CC1=C(C(C)N)C=CC=C1 PKCBB_01012 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 PKCBB_00899 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.113 CC1=CC=CC(C(C)N)=C1 PKCBB_00966 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.4 NCC1=CC=C(OC(F)F)C=C1 PKCBB_01855 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.49 CC(CN)CC1=CC=C(Br)C=C1 PKCBB_02259 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.49 CC(CN)CC1=CC=C(Cl)C=C1 PKCBB_00844 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.49 CC(CN)CC1=CC=C(F)C=C1 PKCBB_00430 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.49 CC1=CC=C(CC(C)CN)C=C1 PKCBB_00989 [0,1,0,0,0,1|1,0,0]=3 72 B12R1.49 CNC(=S)NC1=CC=C(C)C=C1 ASIS-0182 [0,1,0,0,0,1|0,1,1]=4 73 B12R1.5 CCC(=O)C1=CC=C(CBr)C=C1 ASIS-0140 [0,2,0,0,0,0|0,0,2]=4 74 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 PKCBB_00875 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.5 COC1=CC=C(C(C)CN)C=C1 PKCBB_01595 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.5 COC1=CC=C(\C(N)=N/O)C=C1 PKCBB_00014 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 PKCBB_01032 [0,2,0,0,0,0|1,0,0]=3 78 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 PKCBB_00455 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.6 NCC1=CC=C(C(F)(F)F)C=C1 PKCBB_02204 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.9 CC(C)(CN)C1=CC=C(Br)C=C1 PKCBB_02261 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.9 CC(C)(CN)C1=CC=C(Cl)C=C1 PKCBB_02543 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.9 CC(C)(CN)C1=CC=C(F)C=C1 PKCBB_00926 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.9 CC1=CC=C(C(C)(C)CN)C=C1 PKCBB_01660 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.23 CC(C)(N)C1=CC(Cl)=C(Cl)C=C1 PKCBB_00934 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.23 CC1=C(C)C=C(C(C)(C)N)C=C1 PKCBB_01073 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.126 CC(C)(N)C1=C(Cl)C=C(Cl)C=C1 PKCBB_02542 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.126 CC1=CC(C)=C(C(C)(C)N)C=C1 PKCBB_01066 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.367 CC(CN)C1=CC(Cl)=C(Cl)C=C1 PKCBB_01242 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.367 CC1=C(C)C=C(C(C)CN)C=C1 PKCBB_01053 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.367 CC1=C(C)C=C(\C(N)=N\O)C=C1 PKCBB_01700 [0,2,0,0,0,0|1,0,1]=4 91 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 PKCBB_01074 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.367 CCC(N)C1=CC(Cl)=C(Cl)C=C1 PKCBB_00933 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.1703 CC(CN)C1=C(Cl)C=C(Cl)C=C1 PKCBB_02541 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.1703 CC1=CC(C)=C(C(C)CN)C=C1 PKCBB_01076 [0,2,0,0,0,0|1,0,0]=3 95 B12R1.1703 CC1=CC(C)=C(\C(N)=N\O)C=C1 PKCBB_01701 [0,2,0,0,0,0|1,0,1]=4 96 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 PKCBB_01065 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.1703 CCC(N)C1=C(Cl)C=C(Cl)C=C1 PKCBB_02058 [0,2,0,0,0,0|2,0,0]=4 98 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 PKCBB_00454 [0,1,0,1,0,0|1,0,0]=3 99 B12R2.290 NC1(C2=CC=C(Br)C=C2)CC1 PKCBB_02258 [0,1,0,1,0,0|2,0,0]=4 100 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 PKCBB_01262 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 PKCBB_02066 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.7 CC(N)C1=CC=CS1 PKCBB_01809 [1,0,0,0,1,0|2,0,0]=4 103 B12R1.21 CC(N)CCC1=CC=C(Br)C=C1 PKCBB_02267 [0,0,0,0,0,2|2,0,0]=4 104 B12R1.21 CC(N)CCC1=CC=C(Cl)C=C1 PKCBB_00845 [0,0,0,0,0,2|2,0,0]=4 105 B12R1.21 CC(N)CCC1=CC=C(F)C=C1 PKCBB_00924 [0,0,0,0,0,2|2,0,0]=4 106 B12R1.21 CC1=CC=C(CCC(C)N)C=C1 PKCBB_02549 [0,0,0,0,0,2|1,0,0]=3