0 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 PKCBB_02265 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.19 CC(C)(N)C1=CC=C(Cl)C=C1 PKCBB_00235 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 PKCBB_00923 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 PKCBB_01662 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.13 CC(N)C1=CC=C(Br)C=C1 PKCBB_02244 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 PKCBB_00841 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.13 CC(N)C1=CC=C(F)C=C1 PKCBB_00913 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.13 CC1=CC=C(C(C)N)C=C1 PKCBB_00975 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.28 CC(C)(N)C1=CC=CC=C1 PKCBB_00452 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 PKCBB_01032 [0,1,0,0,0,0|1,0,0]=2 10 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 PKCBB_00455 [0,1,0,0,0,0|1,0,0]=2 11 B12R1.9 CC(C)(CN)C1=CC=C(Br)C=C1 PKCBB_02261 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.9 CC(C)(CN)C1=CC=C(Cl)C=C1 PKCBB_02543 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.9 CC(C)(CN)C1=CC=C(F)C=C1 PKCBB_00926 [0,1,0,0,0,0|1,0,0]=2 14 B12R1.9 CC1=CC=C(C(C)(C)CN)C=C1 PKCBB_01660 [0,1,0,0,0,0|1,0,0]=2 15 B12R1.23 CC(C)(N)C1=CC(Cl)=C(Cl)C=C1 PKCBB_00934 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.23 CC1=C(C)C=C(C(C)(C)N)C=C1 PKCBB_01073 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.126 CC(C)(N)C1=C(Cl)C=C(Cl)C=C1 PKCBB_02542 [0,1,0,0,0,0|2,0,0]=3 18 B12R1.126 CC1=CC(C)=C(C(C)(C)N)C=C1 PKCBB_01066 [0,1,0,0,0,0|2,0,0]=3 19 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 PKCBB_00454 [0,0,0,1,0,0|2,0,0]=3 20 B12R2.290 NC1(C2=CC=C(Br)C=C2)CC1 PKCBB_02258 [0,0,0,1,0,0|2,0,0]=3 21 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 PKCBB_01262 [0,0,0,1,0,0|2,0,0]=3 22 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 PKCBB_02066 [0,0,0,1,0,0|2,0,0]=3 23 B10R1.55 CC(C)(C)C1=CSC(N)=N1 PKCBB_00277 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.1 CC1=CC=C(CN)C=C1 PKCBB_00974 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.1 NCC1=CC=C(Br)C=C1 PKCBB_02242 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.1 NCC1=CC=C(Cl)C=C1 PKCBB_00840 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.1 NCC1=CC=C(F)C=C1 PKCBB_00912 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.6 CC(N)C1=CC=CC=C1 PKCBB_01014 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.6 CC(S)C1=CC=CN=C1 PKCBB_02051 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.6 CC(S)C1=CC=NC=C1 PKCBB_02056 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.6 CC(S)C1=NC=CC=C1 PKCBB_02046 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.3 COC1=CC=C(C(C)N)C=C1 PKCBB_00874 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.21 CC(N)C1=CC(Cl)=C(Cl)C=C1 PKCBB_00932 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 PKCBB_01075 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 PKCBB_02262 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.22 CC(CN)C1=CC=C(Cl)C=C1 PKCBB_02544 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.22 CC(CN)C1=CC=C(F)C=C1 PKCBB_00927 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.22 CC1=CC=C(C(C)CN)C=C1 PKCBB_01661 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 PKCBB_02266 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.22 CCC(N)C1=CC=C(C)C=C1 PKCBB_00983 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 PKCBB_00210 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.22 CCC(N)C1=CC=C(F)C=C1 PKCBB_00921 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 PKCBB_00851 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 PKCBB_01064 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.7 CC(C)(C=O)C1=CC=CC=C1 PKCBB_01253 [1,1,0,0,0,0|0,0,1]=3 46 B11R1.7 CC(C)(CN)C1=CC=CC=C1 PKCBB_02548 [1,1,0,0,0,0|0,0,0]=2 47 B11R1.87 CC(C)(N)C1=C(Br)C=CC=C1 PKCBB_00470 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.87 CC(C)(N)C1=C(Cl)C=CC=C1 PKCBB_00869 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.87 CC(C)(N)C1=C(F)C=CC=C1 PKCBB_00914 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.87 CC1=C(C(C)(C)N)C=CC=C1 PKCBB_01668 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.155 CC(C)(N)C1=CC(Cl)=CC=C1 PKCBB_00888 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.155 CC1=CC=CC(C(C)(C)N)=C1 PKCBB_00453 [1,1,0,0,0,0|1,0,0]=3 53 B13R1.140 CC(C)(C)C1=CC=C(CCN)C=C1 PKCBB_01035 [0,2,0,0,0,0|1,0,0]=3 54 B13R1.140 CNCC1=CC=C(C(C)(C)C)C=C1 PKCBB_02551 [0,2,0,0,0,0|1,0,0]=3 55 B13R1.187 COC1=CC=C(C(C)(C)CN)C=C1 PKCBB_01783 [0,2,0,0,0,0|0,0,0]=2 56 B13R1.338 CC(C)(N)C1=CC=C([N+](=O)[O-])C=C1 PKCBB_01986 [0,2,0,0,0,0|1,0,1]=4 57 B13R1.338 CC(N)C1=CC=C(C(C)(C)C)C=C1 PKCBB_01033 [0,2,0,0,0,0|1,0,0]=3 58 B13R1.272 CC(C)(CN)C1=CC(Cl)=C(Cl)C=C1 PKCBB_00448 [0,2,0,0,0,0|1,0,0]=3 59 B13R1.272 CC1=C(C)C=C(C(C)(C)CN)C=C1 PKCBB_01038 [0,2,0,0,0,0|1,0,0]=3 60 B13R1.4183 CC(C)(CN)C1=C(Cl)C=C(Cl)C=C1 PKCBB_01643 [0,2,0,0,0,0|1,0,0]=3 61 B13R1.4183 CC1=CC(C)=C(C(C)(C)CN)C=C1 PKCBB_01078 [0,2,0,0,0,0|1,0,0]=3 62 B11R2.40 NC1(C2=CC=CC=C2)CC1 PKCBB_01267 [1,0,0,1,0,0|1,0,0]=3 63 B13R2.186 COC1=CC=C(C2(N)CC2)C=C1 PKCBB_01255 [0,1,0,1,0,0|1,0,0]=3 64 B13R2.102 CC1=CC=C(C2(CN)CC2)C=C1 PKCBB_00985 [0,1,0,1,0,0|1,0,0]=3 65 B13R2.102 NCC1(C2=CC=C(Br)C=C2)CC1 PKCBB_02264 [0,1,0,1,0,0|1,0,0]=3 66 B13R2.102 NCC1(C2=CC=C(Cl)C=C2)CC1 PKCBB_00275 [0,1,0,1,0,0|1,0,0]=3 67 B13R2.102 NCC1(C2=CC=C(F)C=C2)CC1 PKCBB_00900 [0,1,0,1,0,0|1,0,0]=3 68 B13R2.1057 CC1=C(C)C=C(C2(N)CC2)C=C1 PKCBB_01077 [0,1,0,1,0,0|2,0,0]=4 69 B13R2.1057 NC1(C2=CC(Cl)=C(Cl)C=C2)CC1 PKCBB_01241 [0,1,0,1,0,0|2,0,0]=4 70 B13R2.3125 CC1=CC(C)=C(C2(N)CC2)C=C1 PKCBB_01062 [0,1,0,1,0,0|2,0,0]=4 71 B13R2.3125 NC1(C2=C(Cl)C=C(Cl)C=C2)CC1 PKCBB_01264 [0,1,0,1,0,0|2,0,0]=4