0 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 BB17-0631 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.53 CSC1=C(C(=O)O)C=CC=N1 BB01-5972 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.53 CSC1=CC=CC=C1C(=O)O BB57-4640 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.20 CCC1=C(NC)C=CC=C1 BB01-3189 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.61 CC1=CC=CN=C1C(C)N BB58-3601 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.61 CN(C)C1=NC=CN=C1Cl BB20-1238 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.61 NC(=O)C1=CC=CN=C1N BB20-3408 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.61 NC1=CC=CN=C1C(=O)O BB01-8355 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.61 NC1=NC=CC=C1C(=O)O BB17-0064 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.61 O=C(O)C1=CC=CN=C1S BB01-6184 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.77 CNC(=O)C1=C(CO)C=CC=C1 BB57-5079 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.77 COC(=O)C1=C(SC)C=CC=C1 BB57-5352 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.261 O=C(O)C1=NC=CN=C1C(=O)O BB01-6039 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.283 CCOC1=CC=CC=C1C(C)=O BB55-2313 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.283 CCSC1=C(C(=O)O)C=CC=C1 BB55-4655 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.1081 O=C1CCSC2=C1C=CC=C2 BB01-5930 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.39 CCN1N=CC=C1C(=O)O BB01-4865 [0,0,0,0,1,0|2,0,0]=3 17 B10R1.39 CCN1N=CC=C1C(=O)O BB05-0011 [0,0,0,0,1,0|2,0,0]=3 18 B9R1.15 O=CC1=CC=CN=C1Cl BB01-7905 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.6 CC(=O)C1=NC=CN=C1 BB01-0984 [2,0,0,0,0,0|0,0,0]=2 20 B9R1.6 NC(=O)C1=CC=CC=N1 BB01-5863 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.6 O=C(O)C1=NC=CN=C1 BB01-7797 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.222 COC(=O)C1=CC=CN=C1N BB01-7871 [1,1,0,0,0,0|2,0,0]=4 23 B11R1.222 COC(=O)C1=NC=CN=C1N BB01-8312 [1,1,0,0,0,0|1,0,0]=3 24 B11R1.49 CCN1N=C(C)C=C1C(=O)O BB05-3623 [0,1,0,0,1,0|2,0,0]=4 25 B11R1.49 CCN1N=C(C)C=C1C(=O)O BB58-2165 [0,1,0,0,1,0|2,0,0]=4 26 B11R1.59 CCN1N=CC=C1C(=O)OC BB05-4850 [0,1,0,0,1,0|1,0,0]=3 27 B11R1.178 CC(C)C1=C(C(=O)O)N=CO1 BB58-4051 [0,1,0,0,1,0|2,0,0]=4 28 B11R1.193 CCCN1N=CC=C1C(=O)O BB05-2166 [0,1,0,0,1,0|2,0,0]=4 29 B11R1.193 CCCN1N=CC=C1C(=O)O BB55-6336 [0,1,0,0,1,0|2,0,0]=4 30 B11R1.471 CCN1N=CC(Br)=C1C(=O)O BB05-0021 [0,1,0,0,1,0|2,0,0]=4 31 B11R1.471 CCN1N=CC(Cl)=C1C(=O)O BB05-0023 [0,1,0,0,1,0|2,0,0]=4 32 B13R1.91 CCC1=C(NC(=O)CBr)C=CC=C1 BB55-5008 [0,1,0,0,0,1|2,0,0]=4 33 B13R1.91 CCC1=C(NC(=O)CCl)C=CC=C1 BB01-5149 [0,1,0,0,0,1|2,0,0]=4 34 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 BB01-3057 [0,0,0,1,0,1|2,0,0]=4 35 B13R2.163 O=C1CCCC2=CC=CC=C2N1 BB20-4956 [0,0,0,1,0,1|2,0,0]=4 36 B13R2.32 O=C1C2=CC=CC=C2CCC1Br BB01-4417 [0,1,0,1,0,0|2,0,0]=4 37 B9R1.41 CC1=C(C(=O)O)C=CO1 BB57-4813 [1,0,0,0,1,0|2,0,0]=4 38 B9R1.41 CC1=C(C(=O)O)OC=N1 BB01-8336 [1,0,0,0,1,0|2,0,0]=4 39 B9R1.41 CC1=C(C(=O)O)SC=C1 BB01-0916 [1,0,0,0,1,0|2,0,0]=4 40 B9R1.41 CC1=NNC=C1C(=O)O BB01-5991 [1,0,0,0,1,0|2,0,0]=4 41 B9R1.41 CN1C=CN=C1C(=O)O BB57-7197 [1,0,0,0,1,0|2,0,0]=4 42 B9R1.41 CN1N=CC=C1C(=O)O BB01-4745 [1,0,0,0,1,0|2,0,0]=4 43 B9R1.41 CN1N=CC=C1C(=O)O BB05-0013 [1,0,0,0,1,0|2,0,0]=4