0 B9R1.12 CCCCC1=NC=CN1 28396 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.12 CCCCN1C=CN=C1 27621 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.12 CCOCC1CCCO1 27892 [0,0,0,0,0,0|0,0,4]=4 3 B9R1.12 CNCCC1=CC=CS1 20794 [0,0,0,0,0,0|2,1,0]=3 4 B8R1.8 CCCC1=NC=CN1 27740 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.8 CCCN1C=CN=C1 27748 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.8 CNCC1=CC=CS1 17366 [1,0,0,0,0,0|1,1,0]=3 7 B8R1.8 CNCC1=CSC=N1 19450 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.8 CNCC1=NC=CS1 19449 [1,0,0,0,0,0|2,1,0]=4 9 B8R1.8 CNCC1=NOC=C1 19427 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.8 NCCC1=CNC=N1 00178 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.8 NCCC1=CNC=N1 21888 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.8 NCCC1=CNC=N1 32474 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.8 NCCC1=CSC=C1 26286 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.8 NCCC1=NC=CS1 18801 [1,0,0,0,0,0|2,1,0]=4 15 B10R1.11 CCOC(=O)C1=COC=C1 26941 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.11 CCOC(=O)C1=COC=N1 18190 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.11 CCOC(=O)C1=CSC=N1 17790 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.11 CCOC(=O)C1=NC=CO1 20728 [0,1,0,0,0,0|1,0,1]=3 19 B10R1.11 CCOC(=O)C1=NOC=C1 14403 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.66 CC(=O)\C=C/C1=CC=CO1 25734 [0,1,0,0,0,0|1,0,2]=4 21 B10R2.7 C1=CC2=C(CCNC2)S1 17693 [0,0,0,1,0,0|2,1,0]=4 22 B10R1.17 CCCCC1=CC=CC=C1 27221 [0,0,0,0,0,1|2,0,0]=3 23 B10R1.17 CCCC[N+]1=CC=CC=C1 31412 [0,0,0,0,0,1|3,0,0]=4 24 B10R1.17 CCCC[N+]1=CC=CC=C1 31413 [0,0,0,0,0,1|3,0,0]=4 25 B10R1.17 CNCCC1=CC=CC=C1 23237 [0,0,0,0,0,1|3,0,0]=4 26 B10R1.17 CNCCC1=CC=CN=C1 23587 [0,0,0,0,0,1|3,0,0]=4 27 B10R1.17 CNCCC1=CC=NC=C1 17201 [0,0,0,0,0,1|3,0,0]=4 28 B10R1.17 CNCCC1=NC=CC=C1 23232 [0,0,0,0,0,1|3,0,0]=4 29 B10R1.17 ClCOCC1=CC=CC=C1 00728 [0,0,0,0,0,1|2,0,0]=3 30 B7R1.1 CCC1=NC=CN1 26929 [2,0,0,0,0,0|2,0,0]=4 31 B7R1.1 CNC1=CC=CS1 29398 [2,0,0,0,0,0|1,1,0]=4 32 B7R1.1 ClCC1=NC=CO1 18709 [2,0,0,0,0,0|2,0,0]=4 33 B7R1.1 NCC1=CC=NO1 18182 [2,0,0,0,0,0|2,0,0]=4 34 B7R1.1 NCC1=CN=CO1 20845 [2,0,0,0,0,0|2,0,0]=4 35 B7R1.1 O=CC1=CC=CO1 32011 [2,0,0,0,0,0|0,0,2]=4 36 B7R1.1 OCC1=CC=CS1 14033 [2,0,0,0,0,0|0,1,0]=3 37 B7R1.1 OCC1=CC=NO1 17531 [2,0,0,0,0,0|1,0,0]=3 38 B7R1.1 OCC1=CN=CS1 28873 [2,0,0,0,0,0|1,1,0]=4 39 B7R1.1 OCC1=COC=C1 26943 [2,0,0,0,0,0|2,0,0]=4 40 B7R1.1 OCC1=CSC=N1 28872 [2,0,0,0,0,0|2,0,0]=4 41 B7R1.1 OCC1=NC=CS1 24020 [2,0,0,0,0,0|1,1,0]=4 42 B7R1.1 SCC1=CC=CO1 31196 [2,0,0,0,0,0|0,1,0]=3 43 B9R1.11 COC(=O)C1=CC=CN1 28422 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.1 CCCCC1=CN=C(C)C=C1 21390 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.16 CCOC(=N)C1=CC=NC=C1 26199 [0,1,0,0,0,1|1,0,1]=4 46 B11R1.16 CCOC(=O)C1=CC=CN=C1 27050 [0,1,0,0,0,1|1,0,1]=4 47 B11R1.16 CCOC(=O)C1=CC=NC=C1 27059 [0,1,0,0,0,1|1,0,1]=4 48 B11R1.16 CCOC(=O)C1=NC=CC=C1 27024 [0,1,0,0,0,1|1,0,1]=4 49 B11R1.16 CCOC(=O)C1=NC=CN=C1 28399 [0,1,0,0,0,1|1,0,1]=4 50 B11R1.24 CCCCC1=NC(N)=CC=C1 24057 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.28 BrCCOCC1=CC=CC=C1 14427 [0,1,0,0,0,1|1,0,0]=3 52 B11R1.28 CNCCCC1=CC=CC=C1 23460 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.28 OCCOCC1=CC=CC=C1 21183 [0,1,0,0,0,1|1,0,0]=3 54 B11R1.91 CC(=O)OCC1=CC=CC=C1 27188 [0,1,0,0,0,1|1,0,1]=4 55 B11R1.199 CCOC(=O)C1=C(N)C=CS1 29265 [0,2,0,0,0,0|0,1,1]=4 56 B9R1.2 CCC1=CC=CC(O)=C1 26816 [0,0,1,1,0,0|1,0,1]=4 57 B9R1.2 CCC1=CC=CC(O)=C1 29553 [0,0,1,1,0,0|1,0,1]=4