0 B8R1.2 C1=CC=C(C=C1)C=O S5574 [0,0,0,0,0,0|0,0,2]=2 1 B8R1.2 C1=CC=C(C=C1)CO S4600 [0,0,0,0,0,0|0,0,0]=0 2 B8R1.2 C1=CC=C(C=C1)CO S4600 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.2 C1=CN=C(N=C1)C#N S5611 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.3 C1=CC(=O)NC=C1 S6360 [1,0,0,0,0,0|1,0,1]=3 5 B7R1.3 C1=CN=CC=C1N S5028 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.1 C1=CC(=CC=C1C=O)O S6008 [0,1,0,0,0,0|0,0,2]=3 7 B9R1.1 C1=CC(=CC=C1CO)O S3857 [0,1,0,0,0,0|0,0,0]=1 8 B9R1.1 CCC1=CC=C(C=C1)O S6308 [0,1,0,0,0,0|1,0,0]=2 9 B9R1.1 COC1=CC=C(C=C1)O S4077 [0,1,0,0,0,0|2,0,0]=3 10 B9R1.1 COC1=CC=C(C=C1)O S4077 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.2 C1=CC(=CC(=C1)O)CO S6363 [0,1,0,0,0,0|0,0,0]=1 12 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [0,1,0,0,0,0|1,0,2]=4 13 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [0,1,0,0,0,0|1,0,2]=4 14 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [0,1,0,0,0,0|1,0,1]=3 15 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [0,1,0,0,0,0|1,0,1]=3 16 B9R1.6 C1=CC=C(C=C1)C(=N)N S4956 [0,1,0,0,0,0|1,0,1]=3 17 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [0,1,0,0,0,0|0,0,2]=3 18 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [0,1,0,0,0,0|0,0,2]=3 19 B9R1.6 C1=CC=C(C=C1)C(=O)O S4161 [0,1,0,0,0,0|0,0,1]=2 20 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S3750 [0,1,0,0,0,0|0,0,2]=3 21 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [0,1,0,0,0,0|1,0,2]=4 22 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [0,1,0,0,0,0|1,0,2]=4 23 B9R1.6 C1=CC=NC(=C1)C(=O)O S6249 [0,1,0,0,0,0|1,0,1]=3 24 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] S6443 [0,1,0,0,0,0|1,0,2]=4 25 B9R1.6 C1=CN=CC=C1C(=O)O S6014 [0,1,0,0,0,0|1,0,1]=3 26 B9R1.6 C1=CN=CC=C1C(=S)N S3686 [0,1,0,0,0,0|1,1,1]=4 27 B9R1.6 CC(=O)C1=CC=CC=C1 S5528 [0,1,0,0,0,0|0,0,2]=3 28 B9R1.6 CC(C1=CC=CC=C1)N S6260 [0,1,0,0,0,0|1,0,0]=2 29 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [0,1,0,0,0,0|0,0,1]=2 30 B9R1.8 C1=CC=C(C=C1)CCN S5346 [0,1,0,0,0,0|1,0,0]=2 31 B9R1.8 C1=CC=C(C=C1)CCN S5347 [0,1,0,0,0,0|1,0,0]=2 32 B9R1.8 C1=CC=C(C=C1)CCO S3703 [0,1,0,0,0,0|0,0,0]=1 33 B9R1.15 C1=CC=C(C(=C1)CO)O S5562 [0,1,0,0,0,0|0,0,0]=1 34 B9R1.15 COC1=CC=CC=C1O S3872 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.3 C1=CC(=CC=C1Cl)Cl S6300 [1,1,0,0,0,0|1,0,0]=3 36 B8R1.3 C1=CC(=CC=C1O)O S4580 [1,1,0,0,0,0|0,0,0]=2 37 B8R1.3 C1=CC(=CC=C1O)O S4580 [1,1,0,0,0,0|0,0,0]=2 38 B8R1.3 CC1=CC=C(O)C=C1 S6017 [1,1,0,0,0,0|0,0,0]=2 39 B8R1.4 CC1=CC=CC(=C1)O S6331 [1,1,0,0,0,0|0,0,0]=2 40 B8R1.5 C1=CC=C(C(=C1)O)O S6305 [1,1,0,0,0,0|0,0,0]=2 41 B8R1.5 C1=CC=[N+](C(=C1)[S-])[O-] S4075 [1,1,0,0,0,0|1,0,1]=4 42 B8R1.5 C1=CC=[N+](C(=C1)[S-])[O-] S4075 [1,1,0,0,0,0|1,0,1]=4 43 B8R1.5 C1=CN=CC(=C1N)N S4622 [1,1,0,0,0,0|2,0,0]=4 44 B8R1.5 C1=CN=CC(=C1N)N S4622 [1,1,0,0,0,0|2,0,0]=4 45 B8R1.5 CC1=C(O)C=CC=C1 S6199 [1,1,0,0,0,0|0,0,0]=2 46 B8R1.7 C1=CNC(=C1)C(=O)O S5832 [0,1,0,0,1,0|1,0,1]=4 47 B8R1.7 C1=COC(=C1)C(=O)O S4864 [0,1,0,0,1,0|1,0,1]=4 48 B8R1.7 C1=COC=C1C(=O)O S6097 [0,1,0,0,1,0|1,0,1]=4 49 B10R1.1 C1=CC(=CC=C1CCN)O S3625 [0,2,0,0,0,0|1,0,0]=3 50 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [0,2,0,0,0,0|0,0,0]=2 51 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [0,2,0,0,0,0|0,0,0]=2 52 B10R1.3 COC1=CC=C(C=C1)C=O S5086 [0,2,0,0,0,0|0,0,2]=4 53 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [0,2,0,0,0,0|0,0,1]=3 54 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [0,2,0,0,0,0|0,0,1]=3 55 B10R1.13 C1=CC(=CC=C1C(=O)O)O S3754 [0,2,0,0,0,0|0,0,1]=3 56 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O S6196 [0,2,0,0,0,0|1,0,1]=4 57 B10R1.13 C1=CC(=O)NC=C1C(=O)O S6285 [0,2,0,0,0,0|1,0,1]=4 58 B10R1.13 CC1=CC=C(C=C1)C(C)C S5598 [0,2,0,0,0,0|1,0,0]=3 59 B10R1.25 C1=C(C(=O)NC(=O)N1)CO S6127 [0,2,0,0,0,0|2,0,0]=4 60 B10R1.25 C1=C(C(=O)NC(=O)N1)CO S6127 [0,2,0,0,0,0|2,0,0]=4 61 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CO S6067 [0,2,0,0,0,0|0,0,0]=2 62 B10R1.176 C1=C(OC=C(C1=O)O)CO S5174 [0,2,0,0,0,0|1,0,0]=3 63 B10R1.176 C1=CC(=C(C=C1C=O)O)O S3952 [0,2,0,0,0,0|0,0,2]=4 64 B10R1.2 CCC1=C(C(=O)C=CO1)O S6335 [0,2,0,0,0,0|2,0,0]=4 65 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,2,0,0,0,0|0,0,2]=4 66 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,2,0,0,0,0|0,0,2]=4 67 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,2,0,0,0,0|0,0,2]=4 68 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,2,0,0,0,0|0,0,2]=4 69 B10R1.113 C1=CC(=CC(=C1)O)C(=O)O S6367 [0,2,0,0,0,0|0,0,1]=3 70 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)O S4995 [0,2,0,0,0,0|1,0,1]=4 71 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O S3802 [0,2,0,0,0,0|1,0,1]=4 72 B10R1.15 COC(=O)C1=CC=CC=N1 S6317 [0,2,0,0,0,0|1,0,1]=4 73 B10R1.15 COC(=O)C1=CN=CC=C1 S6231 [0,2,0,0,0,0|1,0,1]=4 74 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)N S4725 [0,2,0,0,0,0|1,0,1]=4 75 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)N S4725 [0,2,0,0,0,0|1,0,1]=4 76 B10R1.61 C1=CC(=C(N=C1)C(=O)O)O S6252 [0,2,0,0,0,0|1,0,1]=4 77 B10R1.61 C1=CC=C(C(=C1)C(=O)N)O S6404 [0,2,0,0,0,0|0,0,2]=4 78 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S4539 [0,2,0,0,0,0|0,0,1]=3 79 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S4539 [0,2,0,0,0,0|0,0,1]=3 80 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S3137 [0,2,0,0,0,0|0,0,2]=4 81 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S3137 [0,2,0,0,0,0|0,0,2]=4 82 B10R1.61 CC(=O)C1=CC=CC=C1O S9375 [0,2,0,0,0,0|0,0,2]=4 83 B10R1.61 CC1=CC=CC=C1C(=O)O S6217 [0,2,0,0,0,0|0,0,1]=3 84 B10R1.4 C[N+]1=CC=CC=C1C=NO S4575 [0,2,0,0,0,0|1,0,1]=4 85 B10R1.4 C[N+]1=CC=CC=C1C=NO S4575 [0,2,0,0,0,0|1,0,1]=4 86 B10R1.4 C[N+]1=CC=CC=C1C=NO S5100 [0,2,0,0,0,0|1,0,1]=4 87 B10R1.17 C1=CC=C(C=C1)C=CC=O S3763 [0,2,0,0,0,0|0,0,2]=4 88 B10R1.17 C1=CC=C(C=C1)C=CCO S5824 [0,2,0,0,0,0|0,0,0]=2 89 B10R1.17 C1=CC=C(C=C1)CN=C=S S4783 [0,2,0,0,0,0|0,1,0]=3 90 B10R1.17 CNCCC1=CC=CC=N1 S3176 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.17 CNCCC1=CC=CC=N1 S3176 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.17 CNCCC1=CC=CC=N1 S5498 [0,2,0,0,0,0|2,0,0]=4 93 B10R1.17 CNCCC1=CC=CC=N1 S5619 [0,2,0,0,0,0|2,0,0]=4 94 B10R2.7 C1=CC=C2C(=C1)C=CN2 S6358 [0,1,0,1,0,0|1,0,1]=4 95 B6R1.2 CC1=CC=NN1 S5146 [1,0,0,0,1,0|2,0,0]=4 96 B6R1.2 CC1=CNN=C1 S1717 [1,0,0,0,1,0|2,0,0]=4 97 B6R1.2 CC1=CNN=C1 S1717 [1,0,0,0,1,0|2,0,0]=4