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 B11R1.20 C1=CC(=CC=C1CC(=O)O)O S4863 [0,1,0,0,0,0|2,0,1]=4 5 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O S9003 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 S6009 [0,1,0,0,0,0|1,0,2]=4 7 B11R1.36 CC(C1=CC=CC=C1)C(=O)O S6321 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.36 OC(O)C(=O)C1=CC=CC=C1 S5425 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O S6154 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.509 C1=CC=C(C=C1)CS(=O)(=O)F S3025 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.509 C1=CC=C(C=C1)CS(=O)(=O)F S3025 [0,1,0,0,0,0|3,0,0]=4 12 B11R2.4 C1C(C1N)C2=CC=CC=C2 S4246 [0,0,0,1,0,0|0,0,0]=1 13 B11R2.4 C1C(C1N)C2=CC=CC=C2 S9464 [0,0,0,1,0,0|0,0,0]=1 14 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 S5575 [0,0,0,1,0,0|2,0,1]=4 15 B11R2.10 C1C2=CC=CC=C2NC1=O S4861 [0,0,0,1,0,0|1,0,1]=3 16 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [0,0,0,0,1,0|2,0,1]=4 17 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [0,0,0,0,1,0|2,0,1]=4 18 B9R1.6 C1=CC=C(C=C1)C(=N)N S4956 [0,0,0,0,1,0|1,0,1]=3 19 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [0,0,0,0,1,0|1,0,1]=3 20 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [0,0,0,0,1,0|1,0,1]=3 21 B9R1.6 C1=CC=C(C=C1)C(=O)O S4161 [0,0,0,0,1,0|2,0,1]=4 22 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S3750 [0,0,0,0,1,0|2,0,1]=4 23 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [0,0,0,0,1,0|2,0,1]=4 24 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [0,0,0,0,1,0|2,0,1]=4 25 B9R1.6 C1=CN=CC=C1C(=S)N S3686 [0,0,0,0,1,0|2,0,1]=4 26 B9R1.6 CC(=O)C1=CC=CC=C1 S5528 [0,0,0,0,1,0|1,0,1]=3 27 B9R1.6 CC(C1=CC=CC=C1)N S6260 [0,0,0,0,1,0|0,0,0]=1 28 B11R1.91 C1=CC=C(C=C1)CCC(=O)O S6254 [0,0,0,0,0,1|2,0,1]=4 29 B11R1.91 CC(=O)CCC1=CC=CC=C1 S9376 [0,0,0,0,0,1|1,0,1]=3 30 B11R1.91 CC(=O)OCC1=CC=CC=C1 S5576 [0,0,0,0,0,1|1,0,1]=3 31 B8R1.2 C1=CC=C(C=C1)C=O S5574 [2,0,0,0,0,0|1,0,1]=4 32 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|1,0,0]=3 33 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.1 C1=CC(=CC=C1CCN)O S3625 [1,1,0,0,0,0|0,0,0]=2 35 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.17 C1=CC=C(C=C1)C=CCO S5824 [1,1,0,0,0,0|0,0,2]=4 38 B10R1.17 C1=CC=C(C=C1)CN=C=S S4783 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.17 CNCCC1=CC=CC=N1 S5498 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.17 CNCCC1=CC=CC=N1 S5619 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.13 CC1=CC=C(C=C1)C(C)C S5598 [0,1,0,0,1,0|1,0,0]=3 44 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)N S4725 [0,1,0,0,1,0|2,0,0]=4 45 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)N S4725 [0,1,0,0,1,0|2,0,0]=4 46 B10R1.61 C1=CC=C(C(=C1)C(=O)N)O S6404 [0,1,0,0,1,0|1,0,1]=4 47 B10R1.61 CC(=O)C1=CC=CC=C1O S9375 [0,1,0,0,1,0|1,0,1]=4 48 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,1,0,0,1,0|1,0,1]=4 49 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,1,0,0,1,0|1,0,1]=4 50 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,1,0,0,1,0|1,0,1]=4 51 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,1,0,0,1,0|1,0,1]=4 52 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O S9480 [0,1,0,0,0,1|1,0,1]=4 53 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S2385 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.32 CN(CC#C)CC1=CC=CC=C1 S3690 [0,2,0,0,0,0|2,0,0]=4 59 B10R2.7 C1=CC=C2C(=C1)C=CN2 S6358 [1,0,0,1,0,0|0,0,2]=4 60 B8R1.8 C1=C(NC=N1)CCN S3968 [1,0,0,0,1,0|2,0,0]=4 61 B8R1.8 C1=C(NC=N1)CCN S4117 [1,0,0,0,1,0|2,0,0]=4 62 B8R1.8 C1=C(NC=N1)CCN S4118 [1,0,0,0,1,0|2,0,0]=4 63 B8R1.8 C1=C(NC=N1)CCN S4118 [1,0,0,0,1,0|2,0,0]=4 64 B8R1.8 C1=C(NN=C1)CCN S6612 [1,0,0,0,1,0|2,0,0]=4 65 B8R1.8 C1=C(NN=C1)CCN S6612 [1,0,0,0,1,0|2,0,0]=4