0 B9R1.2 C1=CC(=CC(=C1)O)CO S6363 [1,0,0,0,0,0|1,0,0]=2 1 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [1,0,0,0,0,0|1,0,1]=3 2 B9R1.8 C1=CC=C(C=C1)CCN S5346 [1,0,0,0,0,0|0,0,0]=1 3 B9R1.8 C1=CC=C(C=C1)CCN S5347 [1,0,0,0,0,0|0,0,0]=1 4 B9R1.8 C1=CC=C(C=C1)CCO S3703 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.192 C1=CC(=C(C=C1CCN)O)O S2529 [0,1,0,0,0,0|0,0,0]=1 6 B11R1.192 C1=CC(=C(C=C1CCN)O)O S2529 [0,1,0,0,0,0|0,0,0]=1 7 B11R1.192 C1=CC(=C(C=C1CCO)O)O S3826 [0,1,0,0,0,0|1,0,0]=2 8 B11R1.192 C1=CC(=C(C=C1CCO)O)O S3826 [0,1,0,0,0,0|1,0,0]=2 9 B11R2.36 C1=CC2=C(C=CN2)C=C1Br S5439 [0,0,0,1,0,0|1,0,2]=4 10 B11R2.36 C1OC2=C(O1)C=C(C=C2)O S3626 [0,0,0,1,0,0|2,0,0]=3 11 B8R1.2 C1=CC=C(C=C1)C=O S5574 [2,0,0,0,0,0|1,0,1]=4 12 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|1,0,0]=3 13 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|1,0,0]=3 14 B8R1.4 CC1=CC=CC(=C1)O S6331 [2,0,0,0,0,0|0,0,0]=2 15 B10R1.2 CCC1=C(C(=O)C=CO1)O S6335 [1,1,0,0,0,0|1,0,1]=4 16 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [1,1,0,0,0,0|1,0,1]=4 17 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [1,1,0,0,0,0|1,0,1]=4 18 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [1,1,0,0,0,0|1,0,1]=4 19 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [1,1,0,0,0,0|1,0,1]=4 20 B10R1.113 C1=CC(=CC(=C1)O)C(=O)O S6367 [1,1,0,0,0,0|1,0,1]=4 21 B10R1.176 C1=CC(=C(C=C1C=O)O)O S3952 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.1 C1=CC(=CC=C1CCN)O S3625 [1,1,0,0,0,0|0,0,0]=2 23 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|1,0,0]=3 25 B10R1.17 C1=CC=C(C=C1)C=CCO S5824 [1,1,0,0,0,0|1,0,1]=4 26 B10R1.17 C1=CC=C(C=C1)CN=C=S S4783 [1,1,0,0,0,0|1,0,1]=4 27 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.17 CNCCC1=CC=CC=N1 S5498 [1,1,0,0,0,0|1,0,0]=3 30 B10R1.17 CNCCC1=CC=CC=N1 S5619 [1,1,0,0,0,0|1,0,0]=3 31 B12R1.10 CC[N+](C)(C)C1=CC(=CC=C1)O S5900 [0,2,0,0,0,0|2,0,0]=4 32 B12R1.10 CC[N+](C)(C)C1=CC(=CC=C1)O S5900 [0,2,0,0,0,0|2,0,0]=4 33 B12R1.17 CNCC(C1=CC(=CC=C1)O)O S2569 [0,2,0,0,0,0|0,0,0]=2 34 B12R1.17 CNCC(C1=CC(=CC=C1)O)O S2569 [0,2,0,0,0,0|0,0,0]=2 35 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S2615 [0,2,0,0,0,0|0,0,0]=2 36 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S2615 [0,2,0,0,0,0|0,0,0]=2 37 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S5750 [0,2,0,0,0,0|0,0,0]=2 38 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S5750 [0,2,0,0,0,0|0,0,0]=2 39 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O S9507 [0,2,0,0,0,0|0,0,0]=2 40 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O S6074 [0,2,0,0,0,0|1,0,0]=3 41 B12R1.19 C1=CC(=C(C=C1CC(=O)O)O)O S5639 [0,2,0,0,0,0|1,0,1]=4 42 B12R1.127 C1=CC(=C(C=C1O)CC(=O)O)O S9352 [0,2,0,0,0,0|1,0,1]=4 43 B12R1.127 C1=CC(=C(C=C1O)CC(=O)O)O S9352 [0,2,0,0,0,0|1,0,1]=4 44 B12R1.438 COC1=CC=CC(=C1)CC(=O)O S6013 [0,2,0,0,0,0|1,0,1]=4 45 B12R1.1123 C1=C(C(=CC(=C1O)O)O)CCN S5324 [0,2,0,0,0,0|0,0,0]=2 46 B12R1.1123 C1=C(C(=CC(=C1O)O)O)CCN S5324 [0,2,0,0,0,0|0,0,0]=2 47 B12R1.286 COC1=C(C=CC(=C1)CC=C)O S4706 [0,2,0,0,0,0|1,0,1]=4 48 B12R1.286 COC1=C(C=CC(=C1)CC=C)O S4706 [0,2,0,0,0,0|1,0,1]=4 49 B10R2.7 C1=CC=C2C(=C1)C=CN2 S6358 [1,0,0,1,0,0|0,0,2]=4 50 B12R2.24 C1CC2=C(C=C(C=C2)Br)NC1 S0394 [0,1,0,1,0,0|2,0,0]=4 51 B12R2.24 C1CC2=C(C=C(C=C2)Br)NC1 S0394 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.8 C1=C(NC=N1)CCN S3968 [1,0,0,0,1,0|2,0,0]=4 53 B8R1.8 C1=C(NC=N1)CCN S4117 [1,0,0,0,1,0|2,0,0]=4 54 B8R1.8 C1=C(NC=N1)CCN S4118 [1,0,0,0,1,0|2,0,0]=4 55 B8R1.8 C1=C(NC=N1)CCN S4118 [1,0,0,0,1,0|2,0,0]=4 56 B8R1.8 C1=C(NN=C1)CCN S6612 [1,0,0,0,1,0|2,0,0]=4 57 B8R1.8 C1=C(NN=C1)CCN S6612 [1,0,0,0,1,0|2,0,0]=4