0 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 PKCBB_01218 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 PKCBB_00899 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.113 CC1=CC=CC(C(C)N)=C1 PKCBB_00966 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.113 N=C(N)C1=CC(Cl)=NC=C1 PKCBB_01220 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.113 NC(=S)C1=CC(Cl)=NC=C1 PKCBB_01221 [0,0,0,0,0,0|3,1,0]=4 5 B9R1.2 CC1=CC=CC(CN)=C1 PKCBB_00965 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.2 CNC1=CC(Cl)=NC=C1 PKCBB_01238 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.2 NCC1=CC(Cl)=CC=C1 PKCBB_00891 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.6 CC(N)C1=CC=CC=C1 PKCBB_01014 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.6 CC(S)C1=CC=CN=C1 PKCBB_02051 [1,0,0,0,0,0|1,1,1]=4 10 B9R1.6 CC(S)C1=CC=NC=C1 PKCBB_02056 [1,0,0,0,0,0|1,1,1]=4 11 B9R1.6 CC(S)C1=NC=CC=C1 PKCBB_02046 [1,0,0,0,0,0|1,1,1]=4 12 B11R1.21 CC(N)C1=CC(Cl)=C(Cl)C=C1 PKCBB_00932 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 PKCBB_01075 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.23 CC(CN)C1=CC(Cl)=CC=C1 PKCBB_02068 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.23 CC1=CC=CC(C(C)CN)=C1 PKCBB_01673 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.23 CC1=CC=CC(\C(N)=N/O)=C1 PKCBB_00002 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.23 CCC(N)C1=CC(C)=CC=C1 PKCBB_01665 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 PKCBB_00889 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.23 N\C(=N/O)C1=CC(Cl)=CC=C1 PKCBB_01689 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.74 CC(N)C1=CC(Cl)=CC(Cl)=C1 PKCBB_00942 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.155 CC(C)(N)C1=CC(Cl)=CC=C1 PKCBB_00888 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.155 CC1=CC=CC(C(C)(C)N)=C1 PKCBB_00453 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.167 CC(N)C1=C(Cl)C=CC(Cl)=C1 PKCBB_00860 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.167 CC1=CC(C(C)N)=C(C)C=C1 PKCBB_00992 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.266 COC1=NC=CC(C(N)=S)=C1 PKCBB_01939 [0,1,0,0,0,0|2,1,0]=4 26 B11R1.157 O=C(O)CC1=CC=NC(Cl)=C1 PKCBB_01259 [0,0,0,0,0,1|3,0,0]=4 27 B8R1.2 NCC1=CC=CC=C1 PKCBB_01006 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.10 CC1=CC=CC(CCN)=C1 PKCBB_00967 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.10 NCCC1=CC(Cl)=CC=C1 PKCBB_00887 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.30 CNC1=C(Cl)C=CC(Cl)=C1 PKCBB_01334 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.13 CC(N)C1=CC=C(Br)C=C1 PKCBB_02244 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 PKCBB_00841 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.13 CC(N)C1=CC=C(F)C=C1 PKCBB_00913 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.13 CC1=CC=C(C(C)N)C=C1 PKCBB_00975 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.15 CC(CN)C1=CC=CC=C1 PKCBB_01020 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.15 CCC(N)C1=CC=CC=C1 PKCBB_01016 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.15 N\C(=N\O)C1=CC=CC=C1 PKCBB_00007 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.28 CC(C)(N)C1=CC=CC=C1 PKCBB_00452 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.61 CC(N)C1=C(Br)C=CC=C1 PKCBB_02240 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 PKCBB_00892 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.61 CC(N)C1=C(F)C=CC=C1 PKCBB_00947 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.61 CC(N)C1=CC=CC=C1O PKCBB_00434 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.61 CC1=C(C(C)N)C=CC=C1 PKCBB_01012 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.14 COC(=O)C1=CC=C(Cl)S1 ASIS-0137 [0,1,0,0,1,0|2,0,0]=4 45 B12R1.435 COC1=CC=CC(\C(N)=N/O)=C1 PKCBB_00012 [0,2,0,0,0,0|1,0,1]=4 46 B12R2.132 CC1=CSC2=CC=C(Br)C=C12 ASIS-0059 [0,1,0,1,0,0|1,1,0]=4 47 B8R1.7 CC(=O)C1=CC=CS1 PKCBB_01781 [1,0,0,0,1,0|1,0,0]=3 48 B8R1.7 CC(=O)C1=NC=CO1 ASIS-0064 [1,0,0,0,1,0|2,0,0]=4