0 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 SBB003280 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 SBB057706 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 SBB080052 [1,0,0,0,0,0|1,0,2]=4 3 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 SBB008827 [1,0,0,0,0,0|0,0,2]=3 4 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 SBB053696 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 SBB060754 [1,0,0,0,0,0|0,0,0]=1 6 B15R1.78 NCCCNC(=O)OCC1=CC=CC=C1 SBB003190 [0,1,0,0,0,0|2,0,1]=4 7 B15R1.78 O=C(NCCCO)OCC1=CC=CC=C1 SBB058644 [0,1,0,0,0,0|2,0,1]=4 8 B15R1.115 O=C(CCCO)CC(=O)C1=CC=CC=C1 SBB056495 [0,1,0,0,0,0|2,0,1]=4 9 B15R2.38 O=C1CCCC\C1=C\C2=CC=CC=C2 SBB116827 [0,0,0,1,0,0|1,0,0]=2 10 B15R2.352 CCCCC1=CC=C2C=CC=CC2=C1 SBB061521 [0,0,0,1,0,0|2,0,0]=3 11 B15R2.352 N#CCOC1=CC2=CC=CC=C2C=C1 SBB015550 [0,0,0,1,0,0|2,0,1]=4 12 B15R2.352 NCCOC1=CC2=CC=CC=C2C=C1 SBB018389 [0,0,0,1,0,0|2,0,0]=3 13 B15R2.352 OCCOC1=CC2=C(C=CC=C2)C=C1 SBB049570 [0,0,0,1,0,0|2,0,0]=3 14 B15R2.355 CC1=NOC(=O)\C1=C/C2=CC=CC=C2 SBB108190 [0,0,0,1,0,0|1,0,1]=3 15 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 SBB056566 [0,0,0,0,1,0|2,0,0]=3 16 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 SBB061302 [0,0,0,0,1,0|0,0,1]=2 17 B12R1.27 CCC(=O)NNC1=CC=CC=C1 SBB007827 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.27 CCC(=O)OCC1=CC=CC=C1 SBB061239 [2,0,0,0,0,0|1,0,1]=4 19 B12R1.27 COC(=O)CSC1=CC=CC=C1 SBB089934 [2,0,0,0,0,0|1,0,1]=4 20 B12R1.27 COC(=O)NCC1=CC=CC=C1 SBB080563 [2,0,0,0,0,0|1,0,1]=4 21 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 SBB058222 [2,0,0,0,0,0|0,0,0]=2 22 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 SBB079292 [2,0,0,0,0,0|1,0,0]=3 23 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 SBB040799 [1,1,0,0,0,0|0,0,1]=3 24 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=N1 SBB091566 [1,1,0,0,0,0|1,0,1]=4 25 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 SBB010111 [1,1,0,0,0,0|1,0,1]=4 26 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 SBB068851 [1,1,0,0,0,0|0,0,2]=4 27 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 SBB053785 [1,1,0,0,0,0|0,0,0]=2 28 B14R1.32 CCNC(=O)\C=C\C1=CC(Br)=CC=C1 SBB057810 [1,1,0,0,0,0|1,0,0]=3 29 B14R1.32 CCOC(=O)CNC1=CC(C)=CC=C1 SBB047119 [1,1,0,0,0,0|1,0,1]=4 30 B14R1.32 CCOC(=O)COC1=CC(Cl)=CC=C1 SBB073628 [1,1,0,0,0,0|1,0,1]=4 31 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 SBB004645 [1,1,0,0,0,0|1,0,0]=3 32 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 SBB072991 [1,1,0,0,0,0|0,0,2]=4 33 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 SBB091746 [1,1,0,0,0,0|0,0,2]=4 34 B14R1.502 CCOC(=O)COC1=CC=C(I)C=C1 SBB073630 [1,1,0,0,0,0|1,0,1]=4 35 B14R1.598 CCOC(=O)COC1=CC=CC=C1Cl SBB029883 [1,1,0,0,0,0|1,0,1]=4 36 B14R1.423 CC(C)CNC(=O)NC1=CC=CC=C1 SBB056570 [0,1,0,0,1,0|2,0,0]=4 37 B14R2.7150 BrCCC1=CC=CC2=C1C=CC=C2 SBB008158 [1,0,0,1,0,0|2,0,0]=4 38 B14R2.7150 CCNC1=CC=CC2=CC=CC=C21 SBB072179 [1,0,0,1,0,0|2,0,0]=4 39 B14R2.7150 CCOC1=C2C=CC=CC2=CC=C1 SBB058064 [1,0,0,1,0,0|2,0,0]=4 40 B14R2.7150 NCCC1=CC=CC2=CC=CC=C21 SBB019200 [1,0,0,1,0,0|2,0,0]=4 41 B14R2.7150 OCCC1=CC=CC2=C1C=CC=C2 SBB088674 [1,0,0,1,0,0|2,0,0]=4 42 B14R2.112 CCCC1=CC=C2C=CC=CC2=C1 SBB061520 [1,0,0,1,0,0|1,0,0]=3 43 B14R2.112 CCOC1=CC=C2C=CC=CC2=C1 SBB061201 [1,0,0,1,0,0|1,0,0]=3 44 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 SBB055770 [1,0,0,1,0,0|1,0,1]=4 45 B12R1.32 CCNC(=O)NC1=CC=CC=C1 SBB008390 [1,0,0,0,1,0|2,0,0]=4 46 B12R1.32 CCOC(=O)CC1=CC=CC=N1 SBB058275 [1,0,0,0,1,0|1,0,1]=4 47 B12R1.32 CCOC(=O)CC1=CC=NC=C1 SBB053836 [1,0,0,0,1,0|1,0,1]=4 48 B12R1.32 CCOC(=O)CC1=CN=CC=C1 SBB058276 [1,0,0,0,1,0|1,0,1]=4 49 B12R1.32 CCOC(=O)NC1=NC=CC=C1 SBB017258 [1,0,0,0,1,0|2,0,0]=4 50 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 SBB053602 [1,0,0,0,1,0|2,0,0]=4 51 B12R1.51 CCOC(=O)\C=C\C1=CC=CO1 SBB001549 [1,0,0,0,1,0|1,0,0]=3 52 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SBB064862 [0,0,0,0,2,0|1,0,0]=3 53 B12R1.30 CCCNC(=O)C1=CC=CC=C1 SBB058554 [0,0,0,0,2,0|1,0,0]=3 54 B12R1.30 CCCOC(=O)C1=CC=CC=C1 SBB061241 [0,0,0,0,2,0|0,0,0]=2 55 B12R1.30 CCCOC(=O)C1=CN=CC=C1 SBB061278 [0,0,0,0,2,0|1,0,0]=3 56 B12R1.30 O=C(NCCCl)C1=CC=CC=C1 SBB008196 [0,0,0,0,2,0|2,0,0]=4