0 B9R1.15 CC1=C(CN)C=CC=C1 PKCBB_01013 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.15 CNC1=CC=CN=C1Cl PKCBB_01233 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.15 NCC1=C(Br)C=CC=C1 PKCBB_02241 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.15 NCC1=C(Cl)C=CC=C1 PKCBB_00890 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 NCC1=C(F)C=CC=C1 PKCBB_00948 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.15 NCC1=CC=CN=C1Cl PKCBB_01263 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.15 OCC1=CC=CN=C1Cl PKCBB_00323 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.15 SCC1=CC=CN=C1Cl PKCBB_01215 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 NCC1=CC=CC=C1 PKCBB_01006 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.2 SCC1=NC=CC=C1 PKCBB_02004 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.4 CC1=C(CCN)C=CC=C1 PKCBB_01011 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.4 CNCC1=CC=CN=C1Cl PKCBB_01271 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.4 N#CCC1=CC=CN=C1Cl PKCBB_01261 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.4 NCCC1=C(Br)C=CC=C1 PKCBB_02239 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.4 NCCC1=C(Cl)C=CC=C1 PKCBB_00897 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.4 NCCC1=C(F)C=CC=C1 PKCBB_00902 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.4 NOCC1=CC=CN=C1Cl PKCBB_01216 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.20 COC1=C(CN)C=CC=C1 PKCBB_01049 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.25 CC1=CC(C)=C(CN)C=C1 PKCBB_01063 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.30 CC1=CC(CN)=C(C)C=C1 PKCBB_00984 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.61 CC(N)C1=C(Br)C=CC=C1 PKCBB_02240 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 PKCBB_00892 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.61 CC(N)C1=C(F)C=CC=C1 PKCBB_00947 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.61 CC(N)C1=CC=CC=C1O PKCBB_00434 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.61 CC1=C(C(C)N)C=CC=C1 PKCBB_01012 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.1 CNC1=CC=C(Cl)N=C1 PKCBB_01210 [1,1,0,0,0,0|2,0,0]=4 26 B9R1.6 CC(N)C1=CC=CC=C1 PKCBB_01014 [1,1,0,0,0,0|2,0,0]=4 27 B9R1.6 CC(S)C1=CC=CN=C1 PKCBB_02051 [1,1,0,0,0,0|1,0,0]=3 28 B9R1.6 CC(S)C1=NC=CC=C1 PKCBB_02046 [1,1,0,0,0,0|1,0,0]=3 29 B9R1.8 NCCC1=CC=CC=C1 PKCBB_01021 [1,1,0,0,0,0|2,0,0]=4 30 B9R1.8 NOCC1=CC=CN=C1 PKCBB_02049 [1,1,0,0,0,0|2,0,0]=4 31 B9R1.8 NOCC1=NC=CC=C1 PKCBB_02006 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.69 CC1=C(Cl)C=CC(Cl)=N1 PKCBB_02630 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.17 CC1=C(CCCN)C=CC=C1 PKCBB_01010 [0,2,0,0,0,0|2,0,0]=4 34 B11R1.17 CC1=C(OCCN)C=CC=C1 PKCBB_00976 [0,2,0,0,0,0|2,0,0]=4 35 B11R1.41 COC1=C(CCN)C=CC=C1 PKCBB_01044 [0,2,0,0,0,0|2,0,0]=4 36 B11R1.81 CC1=CC(C)=C(CCN)C=C1 PKCBB_01068 [0,2,0,0,0,0|2,0,0]=4 37 B11R1.182 CC1=CC(CCN)=C(C)C=C1 PKCBB_00979 [0,2,0,0,0,0|2,0,0]=4 38 B11R1.222 CC1=C(C(C)CN)C=CC=C1 PKCBB_01667 [0,2,0,0,0,0|2,0,0]=4 39 B11R1.222 CCC(N)C1=C(C)C=CC=C1 PKCBB_01669 [0,2,0,0,0,0|2,0,0]=4 40 B11R1.53 COC1=C(C(C)N)C=CC=C1 PKCBB_01048 [0,2,0,0,0,0|2,0,0]=4 41 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 PKCBB_01064 [0,2,0,0,0,0|2,0,0]=4 42 B11R1.167 CC1=CC(C(C)N)=C(C)C=C1 PKCBB_00992 [0,2,0,0,0,0|2,0,0]=4 43 B11R1.87 CC1=C(C(C)(C)N)C=CC=C1 PKCBB_01668 [0,2,0,0,0,0|2,0,0]=4 44 B7R1.4 CC1=C(C)OC=N1 ASIS-0061 [1,0,0,0,1,0|1,0,0]=3 45 B7R1.4 CC1=NON=C1N PKCBB_00222 [1,0,0,0,1,0|2,0,0]=4