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|1,1,0]=2 2 B8R1.8 CNCC1=CSC=C1 CS-B1142 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 COCN1C=CN=C1 CS-W019016 [0,0,0,0,0,0|3,1,0]=4 4 B8R1.8 N#CCC1=CSC=C1 CS-0040874 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 NCCC1=CC=CO1 CS-B1143 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.8 OCCC1=CC=CS1 CS-W020421 [0,0,0,0,0,0|2,1,0]=3 7 B7R1.1 BrCC1=CSC=C1 CS-0019157 [1,0,0,0,0,0|3,0,0]=4 8 B7R1.1 CCC1=NN=CO1 CS-0028803 [1,0,0,0,0,0|2,0,0]=3 9 B7R1.1 COC1=CSC=C1 CS-W008023 [1,0,0,0,0,0|2,1,0]=4 10 B7R1.1 COC1=NC=CS1 CS-W005816 [1,0,0,0,0,0|1,2,0]=4 11 B7R1.1 ClCC1=CN=CS1 CS-W006753 [1,0,0,0,0,0|2,1,0]=4 12 B7R1.1 ClCC1=NC=CO1 CS-D0011 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.1 N#CC1=CC=CO1 CS-W016667 [1,0,0,0,0,0|1,0,1]=3 14 B7R1.1 N#CC1=CC=CS1 CS-W004699 [1,0,0,0,0,0|1,1,1]=4 15 B7R1.1 N#CC1=NC=CO1 CS-0103521 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.1 NCC1=CC=CS1 CS-W007649 [1,0,0,0,0,0|1,1,0]=3 17 B7R1.1 NCC1=CN=CN1 CS-W019760 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 NCC1=CN=CN1 CS-W020523 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 NCC1=COC=N1 CS-W022227 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 OCC1=CC=NO1 CS-D0212 [1,0,0,0,0,0|1,1,0]=3 21 B7R1.1 OCC1=CN=CS1 CS-W013621 [1,0,0,0,0,0|1,2,0]=4 22 B7R1.1 OCC1=COC=C1 CS-W007708 [1,0,0,0,0,0|2,1,0]=4 23 B7R1.1 OCC1=NC=CS1 CS-0028735 [1,0,0,0,0,0|1,2,0]=4 24 B7R1.1 OCC1=NNC=C1 CS-0052530 [1,0,0,0,0,0|2,1,0]=4 25 B9R1.7 N#CCC1=CC=C(Br)S1 CS-0043014 [0,1,0,0,0,0|2,1,0]=4 26 B9R1.11 COC(=O)C1=CN=CO1 CS-0044071 [0,1,0,0,0,0|1,1,1]=4 27 B9R2.2 C1=CC(C2CC2)=NN1 CS-0006099 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.8 CC#CC1=CC=CC=C1 CS-W013608 [0,0,0,0,0,1|2,0,1]=4 29 B9R1.8 NCCC1=CC=CC=N1 CS-W005000 [0,0,0,0,0,1|3,0,0]=4 30 B9R1.8 NCCC1=CN=CC=C1 CS-W008641 [0,0,0,0,0,1|3,0,0]=4 31 B9R1.8 NNCC1=CC=CC=C1 CS-W008735 [0,0,0,0,0,1|3,0,0]=4 32 B9R1.8 NOCC1=CC=CC=C1 CS-W008676 [0,0,0,0,0,1|2,1,0]=4 33 B9R1.8 OCCC1=CC=NC=C1 CS-W016575 [0,0,0,0,0,1|3,0,0]=4 34 B9R1.8 ONCC1=CC=CC=C1 CS-W005571 [0,0,0,0,0,1|3,0,0]=4 35 B6R1.2 CC1=CC=CS1 CS-W011331 [2,0,0,0,0,0|0,1,0]=3 36 B6R1.2 CC1=COC=N1 CS-0028372 [2,0,0,0,0,0|2,0,0]=4 37 B6R1.2 CC1=NN=CO1 CS-W018813 [2,0,0,0,0,0|2,0,0]=4 38 B6R1.2 CN1C=CC=N1 CS-W023191 [2,0,0,0,0,0|2,0,0]=4 39 B6R1.2 O=C1C=CCO1 CS-W008270 [2,0,0,0,0,0|0,1,1]=4 40 B8R1.1 ClCC1=CC=C(Cl)S1 CS-W017849 [1,1,0,0,0,0|1,1,0]=4 41 B8R1.1 OCC1=CC(Br)=NO1 CS-0031362 [1,1,0,0,0,0|1,1,0]=4 42 B8R1.7 CC(C)C1=NNC=C1 CS-0054479 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.4 CNCC1=CC=CC=C1Br CS-0031414 [0,1,0,0,0,1|2,0,0]=4 44 B10R1.4 CNCC1=CC=CC=C1C CS-0045339 [0,1,0,0,0,1|2,0,0]=4 45 B10R1.4 CNCC1=CC=CC=C1F CS-W005782 [0,1,0,0,0,1|2,0,0]=4 46 B10R1.10 COCC1=CC(Cl)=NC=N1 CS-0045696 [0,1,0,0,0,1|1,1,0]=4 47 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CS-W013344 [0,1,0,0,0,1|2,0,0]=4 48 B10R1.17 CCOCC1=CC=CC=C1 CS-W018329 [0,1,0,0,0,1|1,1,0]=4 49 B10R1.17 OCCCC1=NC=CC=C1 CS-0079867 [0,1,0,0,0,1|2,0,0]=4 50 B10R1.14 COC(=O)C1=CC=C(C)O1 CS-W005869 [0,2,0,0,0,0|0,1,1]=4 51 B10R1.11 N#CCC(=O)C1=CC=CO1 CS-W013361 [0,2,0,0,0,0|2,0,0]=4 52 B10R1.21 OCCNCC1=CC=CS1 CS-0037676 [0,2,0,0,0,0|1,1,0]=4 53 B8R1.2 CSC1=CC=CC=C1 CS-0015372 [0,0,1,1,0,0|1,0,1]=4 54 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 CS-W013577 [0,0,0,1,0,1|1,1,0]=4 55 B10R2.6 [C@H]1(C2=CC=CC=C2)CO1 CS-W011206 [0,0,0,1,0,1|1,1,0]=4 56 B10R2.7 C1=CC2=C(C=C1)CNC2 CS-D1516 [0,0,0,1,0,1|2,0,0]=4 57 B10R2.7 C1=NC=C2CNCC2=N1 CS-0018951 [0,0,0,1,0,1|2,0,0]=4