0 B11R1.41 CCOC1=C(C=O)C=CC=C1 26869 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.41 CCOC1=NC=CC=C1C=O 17982 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.4 CCOC1=C(Br)C=CC=N1 28270 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.20 CNC1=NC=CC=C1CO 28935 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.20 COC1=C(C=O)N=CC=C1 17464 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.20 COC1=C(CO)C=CC=C1 14050 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.20 COC1=C(OC)C=CC=C1 27166 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.20 COC1=NC=CC=C1C=O 17146 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.121 CCCOC1=NC=CC=C1C=O 18781 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.283 CCOC1=C(B(O)O)C=CC=N1 28918 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 27444 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.283 CCOC1=CC=CN=C1[N+](=O)[O-] 27014 [0,1,0,0,0,0|3,0,0]=4 12 B12R2.1081 NC1CCCC2=NC=CC=C21 19063 [0,0,0,1,0,0|3,0,0]=4 13 B12R2.1081 NC1CCOC2=C1C=CC=C2 17363 [0,0,0,1,0,0|3,0,0]=4 14 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 19637 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.1081 N[C@H]1CCOC2=CC=CC=C21 18346 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.8 CCOC1=CC=CC=C1 30856 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.8 CCOC1=NC=CC=C1 27481 [2,0,0,0,0,0|1,0,0]=3 18 B9R1.8 CNCC1=NC=CN=C1 17803 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.8 NCCC1=NC=CN=C1 17453 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.8 NCCC1=NC=CN=C1 23818 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.15 CC1=NC=CN=C1C=O 26658 [2,0,0,0,0,0|1,0,1]=4 22 B9R1.15 CCC1=C(O)C=CC=C1 26809 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.15 COC1=C(Cl)N=CC=C1 28752 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.15 COC1=C(I)C=CC=N1 17151 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.15 COC1=C(I)N=CC=C1 17657 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.15 COC1=CC=CN=C1Br 17332 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.15 COC1=CC=CN=C1C 27922 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.15 COC1=CC=CN=C1N 26214 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.15 COC1=NC=CC=C1Br 18024 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.15 COC1=NC=CC=C1N 30330 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.15 COC1=NC=CN=C1N 26188 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.15 OCC1=NC=CC=C1O 27043 [2,0,0,0,0,0|2,0,0]=4 33 B11R2.1 NC1CCC2=NC=CC=C21 20462 [1,0,0,1,0,0|2,0,0]=4 34 B13R2.57 BrCC1CCC2=CC=CC=C2O1 26302 [0,1,0,1,0,0|2,0,0]=4