0 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [1,0,0,0,0,0|2,0,1]=4 1 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.6 C1=CC=C(C=C1)C(=N)N S4956 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.6 C1=CC=C(C=C1)C(=O)O S4161 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S3750 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.6 C1=CC=NC(=C1)C(=O)O S6249 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] S6443 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.6 C1=CN=CC=C1C(=O)O S6014 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.6 CC(=O)C1=CC=CC=C1 S5528 [1,0,0,0,0,0|0,0,1]=2 15 B9R1.6 CC(=O)C1=NC=CN=C1 S6261 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.6 CC(C1=CC=CC=C1)N S6260 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [1,0,0,0,0,0|0,0,0]=1 18 B9R1.8 C1=CC=C(C=C1)CCN S5346 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.8 C1=CC=C(C=C1)CCN S5347 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.8 C1=CC=C(C=C1)CCO S3703 [1,0,0,0,0,0|0,0,2]=3 21 B11R1.22 C1=CC(=CC=C1C(CN)O)O S3188 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.22 C1=CC(=CC=C1C(CN)O)O S3188 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O S6053 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O S9003 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 S6009 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.36 CC(C1=CC=CC=C1)C(=O)O S6321 [0,1,0,0,0,0|0,0,0]=1 27 B11R2.1 CC1=CNC2=CC=CC=C12 S4959 [0,0,0,1,0,0|1,0,1]=3 28 B11R2.4 C1C(C1N)C2=CC=CC=C2 S4246 [0,0,0,1,0,0|1,0,1]=3 29 B11R2.4 C1C(C1N)C2=CC=CC=C2 S9464 [0,0,0,1,0,0|1,0,1]=3 30 B8R1.2 C1=CC=C(C=C1)C=O S5574 [2,0,0,0,0,0|0,0,0]=2 31 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|0,0,1]=3 32 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|0,0,1]=3 33 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.13 C1=CC(=CC=C1C(=O)O)O S3754 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O S6196 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.13 CC1=CC=C(C=C1)C(C)C S5598 [1,1,0,0,0,0|0,0,1]=3 38 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)N S4725 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)N S4725 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.61 C1=CC=C(C(=C1)C(=O)N)O S6404 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S4539 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S4539 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S3137 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S3137 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.61 CC(=O)C1=CC=CC=C1O S9375 [1,1,0,0,0,0|0,0,1]=3 46 B10R1.61 CC1=CC=CC=C1C(=O)O S6217 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.113 C1=CC(=CC(=C1)O)C(=O)O S6367 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.1 C1=CC(=CC=C1CCN)O S3625 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|0,0,2]=4 54 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|0,0,2]=4 55 B10R1.17 C1=CC=C(C=C1)C=CC=O S3763 [1,1,0,0,0,0|0,0,1]=3 56 B10R1.17 C1=CC=C(C=C1)C=CCO S5824 [1,1,0,0,0,0|0,0,2]=4 57 B10R1.17 C1=CC=C(C=C1)CN=C=S S4783 [1,1,0,0,0,0|0,1,1]=4 58 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O S6131 [0,1,0,0,0,1|1,0,1]=4 59 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N S4153 [0,1,0,0,0,1|1,0,0]=3 60 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O S6271 [0,1,0,0,0,1|1,0,0]=3 61 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O S6326 [0,1,0,0,0,1|1,0,0]=3 62 B12R1.478 C1=CC=C(C=C1)C(CO)C(=O)O S5689 [0,2,0,0,0,0|0,0,0]=2 63 B12R1.478 CCC(C1=CC=CC=C1)C(=O)O S6086 [0,2,0,0,0,0|0,0,0]=2 64 B10R2.7 C1=CC=C2C(=C1)C=CN2 S6358 [1,0,0,1,0,0|1,0,1]=4 65 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 S4717 [0,0,0,1,0,1|1,0,1]=4 66 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 S4717 [0,0,0,1,0,1|1,0,1]=4 67 B12R2.1 C1=CC=C2C(=C1)C(=CN2)CO S2313 [0,1,0,1,0,0|1,0,1]=4 68 B12R2.1 C1=CC=C2C(=C1)C(=CN2)CO S2313 [0,1,0,1,0,0|1,0,1]=4