0 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [1,0,0,0,0,0|1,0,1]=3 1 B9R1.8 C1=CC=C(C=C1)CCN S5346 [1,0,0,0,0,0|0,0,0]=1 2 B9R1.8 C1=CC=C(C=C1)CCN S5347 [1,0,0,0,0,0|0,0,0]=1 3 B9R1.8 C1=CC=C(C=C1)CCO S3703 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.15 C1=CC=C(C(=C1)CO)O S5562 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.15 COC1=CC=CC=C1O S3872 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O S6154 [0,1,0,0,0,0|2,0,1]=4 7 B11R2.10 C1C2=CC=CC=C2NC1=O S4861 [0,0,0,1,0,0|2,0,1]=4 8 B8R1.2 C1=CC=C(C=C1)C=O S5574 [2,0,0,0,0,0|1,0,1]=4 9 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|1,0,0]=3 10 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|1,0,0]=3 11 B8R1.5 C1=CC=C(C(=C1)O)O S6305 [2,0,0,0,0,0|2,0,0]=4 12 B8R1.5 C1=CN=CC(=C1N)N S4622 [2,0,0,0,0,0|2,0,0]=4 13 B8R1.5 C1=CN=CC(=C1N)N S4622 [2,0,0,0,0,0|2,0,0]=4 14 B8R1.5 CC1=C(O)C=CC=C1 S6199 [2,0,0,0,0,0|1,0,0]=3 15 B10R1.1 C1=CC(=CC=C1CCN)O S3625 [1,1,0,0,0,0|0,0,0]=2 16 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|1,0,0]=3 17 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|1,0,0]=3 18 B10R1.17 C1=CC=C(C=C1)C=CCO S5824 [1,1,0,0,0,0|1,0,1]=4 19 B10R1.17 C1=CC=C(C=C1)CN=C=S S4783 [1,1,0,0,0,0|1,0,1]=4 20 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,1,0,0,0,0|1,0,0]=3 21 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,1,0,0,0,0|1,0,0]=3 22 B10R1.17 CNCCC1=CC=CC=N1 S5498 [1,1,0,0,0,0|1,0,0]=3 23 B10R1.17 CNCCC1=CC=CC=N1 S5619 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.2 CCC1=C(C(=O)C=CO1)O S6335 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CO S6067 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.61 C1=CC=C(C(=C1)C(=O)N)O S6404 [1,1,0,0,0,0|1,0,1]=4 27 B10R1.61 CC(=O)C1=CC=CC=C1O S9375 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.69 CCCCC1=C(C=C(C=C1)O)O S4997 [0,2,0,0,0,0|2,0,0]=4 29 B12R1.121 COC1=CC=CC=C1OCCN S5723 [0,2,0,0,0,0|1,0,0]=3 30 B12R1.1123 C1=C(C(=CC(=C1O)O)O)CCN S5324 [0,2,0,0,0,0|1,0,0]=3 31 B12R1.1123 C1=C(C(=CC(=C1O)O)O)CCN S5324 [0,2,0,0,0,0|1,0,0]=3 32 B10R2.7 C1=CC=C2C(=C1)C=CN2 S6358 [1,0,0,1,0,0|0,0,2]=4 33 B12R2.24 C1CC(=O)OC2=CC=CC=C21 S9379 [0,1,0,1,0,0|2,0,0]=4 34 B12R2.24 C1CC2=C(C=C(C=C2)Br)NC1 S0394 [0,1,0,1,0,0|2,0,0]=4 35 B12R2.24 C1CC2=C(C=C(C=C2)Br)NC1 S0394 [0,1,0,1,0,0|2,0,0]=4 36 B8R1.8 C1=C(NC=N1)CCN S3968 [1,0,0,0,1,0|2,0,0]=4 37 B8R1.8 C1=C(NC=N1)CCN S4117 [1,0,0,0,1,0|2,0,0]=4 38 B8R1.8 C1=C(NC=N1)CCN S4118 [1,0,0,0,1,0|2,0,0]=4 39 B8R1.8 C1=C(NC=N1)CCN S4118 [1,0,0,0,1,0|2,0,0]=4 40 B8R1.8 C1=C(NN=C1)CCN S6612 [1,0,0,0,1,0|2,0,0]=4 41 B8R1.8 C1=C(NN=C1)CCN S6612 [1,0,0,0,1,0|2,0,0]=4