0 B10R1.17 C1=CC=C(C=C1)CN=C=S S4783 [1,0,0,0,0,0|3,0,0]=4 1 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,0,0,0,0,0|1,0,0]=2 2 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.17 CNCCC1=CC=CC=N1 S5498 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.17 CNCCC1=CC=CC=N1 S5619 [1,0,0,0,0,0|1,0,0]=2 5 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2362 [0,1,0,0,0,0|1,0,0]=2 6 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,1,0,0,0,0|1,0,0]=2 7 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,1,0,0,0,0|1,0,0]=2 8 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,1,0,0,0,0|1,0,0]=2 9 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,1,0,0,0,0|1,0,0]=2 10 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S2438 [0,1,0,0,0,0|1,0,0]=2 11 B12R1.17 CNCC(C1=CC(=CC=C1)O)O S2569 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.17 CNCC(C1=CC(=CC=C1)O)O S2569 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.30 CCCCC(C1=CC=CC=C1)O S5702 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.32 CN(CC#C)CC1=CC=CC=C1 S3690 [0,0,0,0,0,1|2,0,1]=4 15 B9R1.6 C1=CC=C(C=C1)C(=N)N S4956 [2,0,0,0,0,0|1,0,1]=4 16 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [2,0,0,0,0,0|1,0,1]=4 17 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [2,0,0,0,0,0|1,0,1]=4 18 B9R1.6 CC(=O)C1=CC=CC=C1 S5528 [2,0,0,0,0,0|1,0,1]=4 19 B9R1.6 CC(C1=CC=CC=C1)N S6260 [2,0,0,0,0,0|0,0,0]=2 20 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [2,0,0,0,0,0|1,0,1]=4 21 B9R1.8 C1=CC=C(C=C1)CCN S5346 [2,0,0,0,0,0|0,0,0]=2 22 B9R1.8 C1=CC=C(C=C1)CCN S5347 [2,0,0,0,0,0|0,0,0]=2 23 B9R1.8 C1=CC=C(C=C1)CCO S3703 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.22 C1=CC(=CC=C1C(CN)O)O S3188 [1,1,0,0,0,0|1,0,0]=3 25 B11R1.22 C1=CC(=CC=C1C(CN)O)O S3188 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.22 CCC(=O)C1=CC=C(C=C1)O S5396 [1,1,0,0,0,0|1,0,1]=4 27 B11R1.36 CC(C1=CC=CC=C1)C(=O)O S6321 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.1 C1=CC(=CC=C1CCCO)O S5835 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.28 C1=CC=C(C=C1)COCCO S1660 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.91 C1=CC=C(C=C1)CCC(=O)O S6254 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.91 CC(=O)CCC1=CC=CC=C1 S9376 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.91 CC(=O)OCC1=CC=CC=C1 S5576 [1,1,0,0,0,0|2,0,0]=4 33 B13R1.713 C1=CC=C(C=C1)C(CC(=O)O)CN S4892 [0,2,0,0,0,0|2,0,0]=4 34 B13R1.466 CNCC(=O)C1=CC(=C(C=C1)O)O S3185 [0,2,0,0,0,0|1,0,1]=4 35 B13R1.466 CNCC(=O)C1=CC(=C(C=C1)O)O S3185 [0,2,0,0,0,0|1,0,1]=4 36 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O S2521 [0,2,0,0,0,0|1,0,0]=3 37 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O S2521 [0,2,0,0,0,0|1,0,0]=3 38 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O S2521 [0,2,0,0,0,0|1,0,0]=3 39 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O S2522 [0,2,0,0,0,0|1,0,0]=3 40 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O S2522 [0,2,0,0,0,0|1,0,0]=3 41 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O S2523 [0,2,0,0,0,0|1,0,0]=3 42 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O S3061 [0,2,0,0,0,0|1,0,0]=3 43 B11R2.1 C1CC(=O)C2=CC=CC=C21 S9346 [1,0,0,1,0,0|1,0,1]=4 44 B11R2.1 CC1=CNC2=CC=CC=C12 S4959 [1,0,0,1,0,0|0,0,2]=4 45 B11R2.4 C1C(C1N)C2=CC=CC=C2 S4246 [1,0,0,1,0,0|0,0,0]=2 46 B11R2.4 C1C(C1N)C2=CC=CC=C2 S9464 [1,0,0,1,0,0|0,0,0]=2