0 B9R1.1 CC1=CC=C(CN)C=C1 PKCBB_00974 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.1 CNC1=CC=C(Cl)N=C1 PKCBB_01210 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.1 NCC1=CC=C(Br)C=C1 PKCBB_02242 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.1 NCC1=CC=C(Cl)C=C1 PKCBB_00840 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.1 NCC1=CC=C(F)C=C1 PKCBB_00912 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 NCC1=CC=CC=C1 PKCBB_01006 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.2 SCC1=CC=NC=C1 PKCBB_02053 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.2 SCC1=NC=CC=C1 PKCBB_02004 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.1 CC1=CC=C(CCN)C=C1 PKCBB_00962 [0,1,0,0,0,0|1,0,0]=2 9 B10R1.1 N#CCC1=CC=C(Br)C=C1 PKCBB_00324 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.1 NCCC1=CC=C(Br)C=C1 PKCBB_02263 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.1 NCCC1=CC=C(Cl)C=C1 PKCBB_00842 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.1 NCCC1=CC=C(F)C=C1 PKCBB_00928 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.3 COC1=CC=C(CN)C=C1 PKCBB_00873 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.13 CC(N)C1=CC=C(Br)C=C1 PKCBB_02244 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 PKCBB_00841 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.13 CC(N)C1=CC=C(F)C=C1 PKCBB_00913 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.13 CC1=CC=C(C(C)N)C=C1 PKCBB_00975 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.25 CC1=CC(C)=C(CN)C=C1 PKCBB_01063 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.25 CC1=CC(C)=C(CN)C=N1 PKCBB_00256 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 PKCBB_00850 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.176 CC1=C(C)C=C(CN)C=C1 PKCBB_01085 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 PKCBB_00898 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.1 CC1=NC(CN)=NO1 PKCBB_01312 [0,0,0,0,1,0|3,0,0]=4 24 B8R1.1 CC1=NOC(CCl)=N1 PKCBB_01487 [0,0,0,0,1,0|3,0,0]=4 25 B8R1.1 CCC1=NN=C(N)S1 PKCBB_00196 [0,0,0,0,1,0|3,0,0]=4 26 B8R1.1 NCC1=CSC(Cl)=N1 PKCBB_00269 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.2 CC1=CC=CC(CN)=C1 PKCBB_00965 [1,1,0,0,0,0|2,0,0]=4 28 B9R1.2 NCC1=CC(Cl)=CC=C1 PKCBB_00891 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.6 CC(N)C1=CC=CC=C1 PKCBB_01014 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.6 CC(S)C1=CC=CN=C1 PKCBB_02051 [1,1,0,0,0,0|0,0,0]=2 31 B9R1.6 CC(S)C1=CC=NC=C1 PKCBB_02056 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.6 CC(S)C1=NC=CC=C1 PKCBB_02046 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.8 NCCC1=CC=CC=C1 PKCBB_01021 [1,1,0,0,0,0|1,0,0]=3 34 B9R1.8 NOCC1=CC=CN=C1 PKCBB_02049 [1,1,0,0,0,0|1,0,0]=3 35 B9R1.15 CC1=C(CN)C=CC=C1 PKCBB_01013 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.15 CNC1=CC=CN=C1Cl PKCBB_01233 [1,1,0,0,0,0|1,0,0]=3 37 B9R1.15 NCC1=C(Br)C=CC=C1 PKCBB_02241 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.15 NCC1=C(Cl)C=CC=C1 PKCBB_00890 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.15 NCC1=C(F)C=CC=C1 PKCBB_00948 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.15 NCC1=CC=CN=C1Cl PKCBB_01263 [1,1,0,0,0,0|1,0,0]=3 41 B9R1.15 OCC1=CC=CN=C1Cl PKCBB_00323 [1,1,0,0,0,0|1,0,0]=3 42 B9R1.15 SCC1=CC=CN=C1Cl PKCBB_01215 [1,1,0,0,0,0|1,0,0]=3 43 B9R1.69 CC1=C(Cl)C=CC(Cl)=N1 PKCBB_02630 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.21 CCC1=NOC(CCl)=N1 PKCBB_01472 [0,1,0,0,1,0|2,0,0]=4 45 B11R1.1 CC1=CC=C(CCCN)C=C1 PKCBB_00990 [0,2,0,0,0,0|1,0,0]=3 46 B11R1.1 CC1=CC=C(OCCN)C=C1 PKCBB_00988 [0,2,0,0,0,0|1,0,0]=3 47 B11R1.1 NCCCC1=CC=C(Br)C=C1 PKCBB_02252 [0,2,0,0,0,0|2,0,0]=4 48 B11R1.1 NCCCC1=CC=C(Cl)C=C1 PKCBB_00843 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.1 NCCCC1=CC=C(F)C=C1 PKCBB_00925 [0,2,0,0,0,0|2,0,0]=4 50 B11R1.1 NCCOC1=CC=C(Br)C=C1 PKCBB_02257 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.1 NCCOC1=CC=C(Cl)C=C1 PKCBB_00846 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.1 NCCOC1=CC=C(F)C=C1 PKCBB_00915 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 PKCBB_02262 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.22 CC(CN)C1=CC=C(Cl)C=C1 PKCBB_02544 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.22 CC(CN)C1=CC=C(F)C=C1 PKCBB_00927 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.22 CC1=CC=C(C(C)CN)C=C1 PKCBB_01661 [0,2,0,0,0,0|1,0,0]=3 57 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 PKCBB_02266 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.22 CCC(N)C1=CC=C(C)C=C1 PKCBB_00983 [0,2,0,0,0,0|1,0,0]=3 59 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 PKCBB_00210 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.22 CCC(N)C1=CC=C(F)C=C1 PKCBB_00921 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.81 CC1=CC(C)=C(CCN)C=C1 PKCBB_01068 [0,2,0,0,0,0|1,0,0]=3 62 B11R1.81 NCCC1=C(Cl)C=C(Cl)C=C1 PKCBB_00859 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.83 CCC1=CN=C(CC#N)C=C1 PKCBB_00426 [0,2,0,0,0,0|0,0,0]=2 64 B11R1.83 CCC1=CN=C(CCN)C=C1 PKCBB_00258 [0,2,0,0,0,0|0,0,0]=2 65 B11R1.83 CCC1=CN=C(CON)C=C1 PKCBB_01227 [0,2,0,0,0,0|0,0,0]=2 66 B11R1.83 COC1=CC=C(CCN)C=C1 PKCBB_00877 [0,2,0,0,0,0|1,0,0]=3 67 B11R1.192 CC1=C(C)C=C(CCN)C=C1 PKCBB_01071 [0,2,0,0,0,0|1,0,0]=3 68 B11R1.192 NCCC1=CC(Cl)=C(Cl)C=C1 PKCBB_00935 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.3 CCC1=CN=C(C(C)=O)C=C1 PKCBB_01273 [0,2,0,0,0,0|0,0,0]=2 70 B11R1.3 CCC1=CN=C(C(C)N)C=C1 PKCBB_00509 [0,2,0,0,0,0|0,0,0]=2 71 B11R1.3 CCC1=CN=C(C(C)O)C=C1 PKCBB_00424 [0,2,0,0,0,0|0,0,0]=2 72 B11R1.3 COC1=CC=C(C(C)N)C=C1 PKCBB_00874 [0,2,0,0,0,0|1,0,0]=3 73 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 PKCBB_02265 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.19 CC(C)(N)C1=CC=C(Cl)C=C1 PKCBB_00235 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 PKCBB_00923 [0,2,0,0,0,0|2,0,0]=4 76 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 PKCBB_01662 [0,2,0,0,0,0|1,0,0]=3 77 B11R1.21 CC(N)C1=CC(Cl)=C(Cl)C=C1 PKCBB_00932 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 PKCBB_01075 [0,2,0,0,0,0|1,0,0]=3 79 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 PKCBB_00851 [0,2,0,0,0,0|2,0,0]=4 80 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 PKCBB_01064 [0,2,0,0,0,0|1,0,0]=3 81 B11R1.464 CC1=CC(C)=NC(Cl)=C1C#N PKCBB_00376 [0,2,0,0,0,0|1,0,1]=4