0 B11R1.172 O=C(O)CCCC1=CC=CS1 6H21-1-0F [0,0,0,0,0,0|2,1,0]=3 1 B10R1.21 CCCCCC1=CC=CO1 2H10-1-16 [1,0,0,0,0,0|1,0,1]=3 2 B10R1.21 CCCCCC1=CC=CS1 5H66-1-14 [1,0,0,0,0,0|1,1,1]=4 3 B10R1.21 CCCNCC1=CC=CS1 7H31-1-0J [1,0,0,0,0,0|1,1,1]=4 4 B10R1.21 NCCSCC1=CC=CO1 8H66-1-3N [1,0,0,0,0,0|1,0,1]=3 5 B12R1.477 COC(=O)CSCC1=NOC=N1 8H66-1-2M [0,1,0,0,0,0|3,0,0]=4 6 B10R0.3 CCOC(=O)CSCC(C)=O 6166-1-16 [0,0,1,0,0,0|1,0,2]=4 7 B10R1.66 CC(=O)CSC1=CC=CS1 6H66-1-09 [0,0,0,0,1,0|0,1,0]=2 8 B10R1.66 CC(=O)OC=C1C=CC=C1 2623-1-0Q [0,0,0,0,1,0|1,1,1]=4 9 B10R1.66 CC(=O)OCC1=CC=CO1 2H23-1-16 [0,0,0,0,1,0|0,1,0]=2 10 B10R1.66 CC(=O)\C=C\C1=CC=CO1 2H17-1-24 [0,0,0,0,1,0|0,0,2]=3 11 B10R1.66 CC(=O)\C=C\C1=CC=CS1 6H17-1-24 [0,0,0,0,1,0|0,1,2]=4 12 B10R1.66 NC(=O)NCC1=CC=CO1 4H53-1-20 [0,0,0,0,1,0|2,0,0]=3 13 B10R1.66 O=C(O)CCC1=CC=CO1 2H21-1-X6 [0,0,0,0,1,0|1,0,0]=2 14 B10R1.66 O=C(O)CCC1=CNC=N1 4H21-1-J6 [0,0,0,0,1,0|3,0,0]=4 15 B10R1.66 O=C(O)CCC1=CSC=C1 6H21-1-0G [0,0,0,0,1,0|3,0,0]=4 16 B10R1.66 O=C(O)CCC1=NC=CS1 8H21-1-0H [0,0,0,0,1,0|2,1,0]=4 17 B10R1.66 O=C(O)CCN1C=CC=C1 4H21-1-HA [0,0,0,0,1,0|3,0,0]=4 18 B10R1.66 O=C(O)CCN1C=CC=N1 4H21-1-GX [0,0,0,0,1,0|3,0,0]=4 19 B12R1.252 CC(=O)NCCC1=CC=CC=C1 4748-1-31 [0,0,0,0,0,1|3,0,0]=4 20 B12R1.252 CC(F)CSCC1=CC=CC=C1 5666-3-0B [0,0,0,0,0,1|2,0,1]=4 21 B12R1.252 NC(=O)COCC1=CC=CC=C1 4H48-1-06L [0,0,0,0,0,1|2,1,0]=4 22 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 2616-5-0L [0,0,0,0,0,1|3,0,0]=4 23 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 2616-5-0K [0,0,0,0,0,1|2,1,0]=4 24 B12R1.252 O=C(O)CNCC1=CC=CC=C1 4757-1-17 [0,0,0,0,0,1|3,0,0]=4 25 B9R1.12 CCCCC1=CC=CS1 5H66-1-23 [2,0,0,0,0,0|0,1,1]=4 26 B9R1.12 CCNCC1=CC=CS1 7H31-1-0C [2,0,0,0,0,0|1,1,0]=4 27 B9R1.12 CCOCC1=CC=CO1 2H07-1-0D [2,0,0,0,0,0|0,1,0]=3 28 B9R1.12 CSSCC1=CC=CO1 6H66-1-1B [2,0,0,0,0,0|1,0,0]=3 29 B9R1.12 O=C\C=C\C1=CC=CO1 2H15-1-0U [2,0,0,0,0,0|0,0,2]=4 30 B11R1.4 CCOCOCC1=CC=CO1 2H08-1-0D [1,1,0,0,0,0|0,1,1]=4 31 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O 4H57-1-48 [0,1,0,0,1,0|1,0,0]=3 32 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O 8H57-1-12 [0,1,0,0,1,0|1,1,0]=4 33 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O 8H57-1-13 [0,1,0,0,1,0|1,1,0]=4 34 B11R1.77 NC(CC(=O)O)C1=CC=CO1 4H57-1-38 [0,1,0,0,1,0|1,0,0]=3 35 B13R1.718 CCC(=O)COCC1=CC=CC=C1 2717-1-15 [0,1,0,0,0,1|1,1,0]=4 36 B13R1.718 COC(=O)CCCC1=CC=CC=C1 2623-1-0S [0,1,0,0,0,1|2,0,0]=4 37 B13R1.718 COC(=O)COCC1=CC=CC=C1 2623-1-2U [0,1,0,0,0,1|1,1,0]=4 38 B13R1.718 COC(=O)CSCC1=CC=CN=C1 8H66-1-16 [0,1,0,0,0,1|1,0,0]=3 39 B11R1.91 CC(=O)CSC1=CC=CC=C1 6666-1-X8 [0,0,1,1,0,0|1,0,1]=4 40 B11R2.106 O=C1CCCC2=C1C=CO2 2H17-1-0J [1,0,0,1,0,0|1,0,0]=3 41 B11R2.106 O=C1CCCC2=C1C=CS2 6H17-1-0B [1,0,0,1,0,0|1,1,0]=4 42 B11R2.106 O=C1COCC2=C1C=CN2 4H17-1-AK [1,0,0,1,0,0|1,1,0]=4 43 B11R2.36 O=C1CCC2=C(C1)SC=N2 8H70-1-25 [0,0,0,1,1,0|2,0,0]=4 44 B11R2.36 O=C1CCC2=C(C=CN2)C1 4H48-1-CV [0,0,0,1,1,0|1,0,0]=3 45 B11R2.36 O=C1CCN2C=CC=C2C1 4H17-1-12 [0,0,0,1,1,0|2,0,0]=4 46 B9R1.13 CC(=O)CC1=CC=CS1 6H17-1-43 [0,0,0,0,2,0|0,1,0]=3 47 B9R1.13 CC(O)CC1=CC=CO1 2H02-1-08 [0,0,0,0,2,0|0,0,2]=4 48 B9R1.13 NC(=O)CC1=CC=CS1 8H48-1-0H [0,0,0,0,2,0|1,1,0]=4 49 B9R1.13 O=C(O)CC1=CC=CN1 4H21-1-GY [0,0,0,0,2,0|2,0,0]=4 50 B9R1.13 O=C(O)CC1=CC=CO1 2H21-1-0S [0,0,0,0,2,0|1,0,0]=3 51 B11R1.28 O=CCOCC1=CC=CC=C1 2615-1-08 [1,0,0,0,0,1|1,1,0]=4