0 B8R1.8 CCCC1=NC=CN1 CS-W013667 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 CNCC1=CC=CS1 CS-W018825 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 CNCC1=CSC=C1 CS-B1142 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 COCN1C=CN=C1 CS-W019016 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 N#CCC1=CSC=C1 CS-0040874 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.8 NCCC1=CC=CO1 CS-B1143 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.8 NCCN1C=CN=N1 CS-0047077 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.8 OCCC1=CC=CS1 CS-W020421 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 BrCC1=CSC=C1 CS-0019157 [1,0,0,0,0,0|3,0,0]=4 9 B7R1.1 CCC1=NN=CO1 CS-0028803 [1,0,0,0,0,0|2,0,0]=3 10 B7R1.1 COC1=CSC=C1 CS-W008023 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.1 ClCC1=CN=CS1 CS-W006753 [1,0,0,0,0,0|2,0,0]=3 12 B7R1.1 N#CC1=CN=CS1 CS-W006024 [1,0,0,0,0,0|1,0,2]=4 13 B7R1.1 NCC1=CC=CS1 CS-W007649 [1,0,0,0,0,0|2,0,0]=3 14 B7R1.1 NCC1=CN=CN1 CS-W019760 [1,0,0,0,0,0|0,0,0]=1 15 B7R1.1 NCC1=CN=CN1 CS-W020523 [1,0,0,0,0,0|0,0,0]=1 16 B7R1.1 NCC1=CNN=C1 CS-0052529 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.1 NCC1=COC=N1 CS-W022227 [1,0,0,0,0,0|1,0,1]=3 18 B7R1.1 OCC1=CC=NO1 CS-D0212 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 OCC1=CN=CS1 CS-W013621 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.1 OCC1=CNN=C1 CS-W009163 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.1 OCC1=COC=C1 CS-W007708 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.1 OCC1=CON=C1 CS-W000734 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.7 CN1C=NC(CCN)=C1 CS-0046885 [0,1,0,0,0,0|0,0,2]=3 24 B9R1.33 CC1=C(CCO)SC=N1 CS-W016411 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.8 NCCC1=CC=CC=N1 CS-W005000 [0,0,0,0,0,1|1,0,1]=3 26 B9R1.8 NCCC1=CN=CC=C1 CS-W008641 [0,0,0,0,0,1|1,0,0]=2 27 B9R1.8 NNCC1=CC=CC=C1 CS-W008735 [0,0,0,0,0,1|3,0,0]=4 28 B9R1.8 NOCC1=CC=CC=C1 CS-W008676 [0,0,0,0,0,1|3,0,0]=4 29 B9R1.8 OCCC1=CC=NC=C1 CS-W016575 [0,0,0,0,0,1|2,0,0]=3 30 B6R1.2 BrC1=CN=CS1 CS-D1067 [2,0,0,0,0,0|2,0,0]=4 31 B6R1.2 CC1=CC=CS1 CS-W011331 [2,0,0,0,0,0|2,0,0]=4 32 B6R1.2 CC1=COC=N1 CS-0028372 [2,0,0,0,0,0|1,0,1]=4 33 B6R1.2 CC1=NN=CO1 CS-W018813 [2,0,0,0,0,0|2,0,0]=4 34 B6R1.2 CC1=NON=C1 CS-0063186 [2,0,0,0,0,0|1,0,1]=4 35 B6R1.2 CN1C=NC=N1 CS-D1367 [2,0,0,0,0,0|1,0,1]=4 36 B6R1.2 NC1=CC=NN1 CS-0032811 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.7 NC(=O)C1=NN=CN1 CS-W021700 [1,1,0,0,0,0|1,0,1]=4 38 B8R1.11 CCN1C=CN=C1C CS-0094390 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.1 NCCC1=CC=C(F)C=C1 CS-W018312 [0,1,0,0,0,1|2,0,0]=4 40 B10R1.1 NCCC1=CC=C(N)C=C1 CS-W021984 [0,1,0,0,0,1|2,0,0]=4 41 B10R1.4 NCCC1=C(Cl)C=CC=C1 CS-W019353 [0,1,0,0,0,1|2,0,0]=4 42 B10R1.4 NCCC1=CC=CC=C1Br CS-W013200 [0,1,0,0,0,1|2,0,0]=4 43 B8R1.2 NCC1=CC=CN=C1 CS-W019701 [0,0,1,1,0,0|1,0,1]=4 44 B8R1.2 NCC1=CN=CN=C1 CS-W022426 [0,0,1,1,0,0|0,0,2]=4 45 B8R1.5 NC1=CC=CN=C1N CS-D1498 [0,0,1,1,0,0|0,0,2]=4 46 B10R2.7 C1=CC2=C(C=C1)NCC2 CS-W009145 [0,0,0,1,0,1|2,0,0]=4 47 B10R2.7 C1=CC2=C(C=N1)NCC2 CS-W021490 [0,0,0,1,0,1|1,0,0]=3 48 B10R2.7 C1=CN=C2NCCC2=C1 CS-M0806 [0,0,0,1,0,1|1,0,0]=3 49 B10R2.2 SC1CN2C=NC=[N+]2C1 CS-W006177 [0,1,0,1,0,0|2,0,0]=4 50 B10R2.14 N=C1NC(C2CC2)=CS1 CS-0044021 [0,1,0,1,0,0|2,0,0]=4 51 B10R2.136 C1=CN(C2CNC2)C=N1 CS-W020483 [0,1,0,1,0,0|2,0,0]=4