0 B10R1.1 CC1=CC=C(CCN)C=C1 PKCBB_00962 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.1 N#CCC1=CC=C(Br)C=C1 PKCBB_00324 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.1 NCCC1=CC=C(Br)C=C1 PKCBB_02263 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.1 NCCC1=CC=C(Cl)C=C1 PKCBB_00842 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.1 NCCC1=CC=C(F)C=C1 PKCBB_00928 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.1 CC1=CC=C(CN)C=C1 PKCBB_00974 [1,0,0,0,0,0|1,0,0]=2 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 B9R1.8 NCCC1=CC=CC=C1 PKCBB_01021 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.8 NOCC1=CC=CN=C1 PKCBB_02049 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.8 NOCC1=CC=NC=C1 PKCBB_02054 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.8 NOCC1=NC=CC=C1 PKCBB_02006 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.1 CC1=CC=C(CCCN)C=C1 PKCBB_00990 [0,1,0,0,0,0|1,0,1]=3 14 B11R1.1 CC1=CC=C(OCCN)C=C1 PKCBB_00988 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.1 NCCCC1=CC=C(Br)C=C1 PKCBB_02252 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.1 NCCCC1=CC=C(Cl)C=C1 PKCBB_00843 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.1 NCCCC1=CC=C(F)C=C1 PKCBB_00925 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.1 NCCOC1=CC=C(Br)C=C1 PKCBB_02257 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.1 NCCOC1=CC=C(Cl)C=C1 PKCBB_00846 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.1 NCCOC1=CC=C(F)C=C1 PKCBB_00915 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 PKCBB_02262 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.22 CC(CN)C1=CC=C(Cl)C=C1 PKCBB_02544 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.22 CC(CN)C1=CC=C(F)C=C1 PKCBB_00927 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.22 CC1=CC=C(C(C)CN)C=C1 PKCBB_01661 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.22 CC1=CC=C(\C(N)=N/O)C=C1 PKCBB_00001 [0,1,0,0,0,0|1,0,2]=4 26 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 PKCBB_02266 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.22 CCC(N)C1=CC=C(C)C=C1 PKCBB_00983 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 PKCBB_00210 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.22 CCC(N)C1=CC=C(F)C=C1 PKCBB_00921 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.81 CC1=CC(C)=C(CCN)C=C1 PKCBB_01068 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.81 NCCC1=C(Cl)C=C(Cl)C=C1 PKCBB_00859 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.83 CCC1=CN=C(CC#N)C=C1 PKCBB_00426 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.83 CCC1=CN=C(CCN)C=C1 PKCBB_00258 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.83 CCC1=CN=C(CON)C=C1 PKCBB_01227 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.83 COC1=CC=C(CCN)C=C1 PKCBB_00877 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.192 CC1=C(C)C=C(CCN)C=C1 PKCBB_01071 [0,1,0,0,0,0|1,0,1]=3 37 B11R1.192 NCCC1=CC(Cl)=C(Cl)C=C1 PKCBB_00935 [0,1,0,0,0,0|2,0,1]=4 38 B8R1.2 NCC1=CC=CC=C1 PKCBB_01006 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.2 SCC1=CC=NC=C1 PKCBB_02053 [2,0,0,0,0,0|1,1,0]=4 40 B8R1.2 SCC1=NC=CC=C1 PKCBB_02004 [2,0,0,0,0,0|1,1,0]=4 41 B10R1.3 COC1=CC=C(CN)C=C1 PKCBB_00873 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.13 CC(N)C1=CC=C(Br)C=C1 PKCBB_02244 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 PKCBB_00841 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.13 CC(N)C1=CC=C(F)C=C1 PKCBB_00913 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.13 CC1=CC=C(C(C)N)C=C1 PKCBB_00975 [1,1,0,0,0,0|0,0,1]=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 B10R1.4 CC1=C(CCN)C=CC=C1 PKCBB_01011 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.4 NCCC1=C(Br)C=CC=C1 PKCBB_02239 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.4 NCCC1=C(Cl)C=CC=C1 PKCBB_00897 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.4 NCCC1=C(F)C=CC=C1 PKCBB_00902 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.10 CC1=CC=CC(CCN)=C1 PKCBB_00967 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.10 NCCC1=CC(Cl)=CC=C1 PKCBB_00887 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.15 CC(CN)C1=CC=CC=C1 PKCBB_01020 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.15 CCC(N)C1=CC=CC=C1 PKCBB_01016 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.17 NCCCC1=CC=CC=C1 PKCBB_01019 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.17 NCCOC1=CC=CC=C1 PKCBB_01017 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.18 NC(=S)CC1=CC=NC=C1 PKCBB_00528 [1,1,0,0,0,0|1,1,0]=4 62 B12R1.1 CC1=CC=C(COCCN)C=C1 PKCBB_00987 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.21 CC1=CC=C(CCC(C)N)C=C1 PKCBB_02549 [0,2,0,0,0,0|1,0,1]=4 64 B12R1.49 CC1=CC=C(CC(C)CN)C=C1 PKCBB_00989 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.49 CNC(=S)NC1=CC=C(C)C=C1 ASIS-0182 [0,2,0,0,0,0|1,1,0]=4 66 B12R1.69 CC1=CC(C)=C(CCCN)C=C1 PKCBB_01055 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.69 CC1=CC(C)=C(OCCN)C=C1 PKCBB_01081 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.71 COC1=CC=C(CCCN)C=C1 PKCBB_00878 [0,2,0,0,0,0|1,0,1]=4 69 B12R1.71 COC1=CC=C(OCCN)C=C1 PKCBB_00881 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.385 CC1=C(C)C=C(CCCN)C=C1 PKCBB_01069 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.385 CC1=C(C)C=C(OCCN)C=C1 PKCBB_01028 [0,2,0,0,0,0|1,0,1]=4 72 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 PKCBB_00875 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.5 COC1=CC=C(C(C)CN)C=C1 PKCBB_01595 [0,2,0,0,0,0|1,0,1]=4 74 B12R1.9 CC1=CC=C(C(C)(C)CN)C=C1 PKCBB_01660 [0,2,0,0,0,0|1,0,1]=4 75 B12R1.367 CC1=C(C)C=C(C(C)CN)C=C1 PKCBB_01053 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 PKCBB_01074 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.1703 CC1=CC(C)=C(C(C)CN)C=C1 PKCBB_01076 [0,2,0,0,0,0|1,0,1]=4 78 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 PKCBB_01065 [0,2,0,0,0,0|1,0,1]=4 79 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 PKCBB_00454 [0,1,0,1,0,0|1,0,1]=4