0 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.166 CC(=O)C1=CC=C(OC1O)C CNP0457804.0 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.166 CC1=CC(=CC=C1C(=O)O)O CNP0075319.0 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.166 CC1=CC(=CC=C1C(C)C)O CNP0343687.0 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])N CNP0541671.0 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O CNP0491726.0 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.166 CC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0575477.0 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.166 CC1=CC=C(C(=C1)O)C(C)C CNP0135128.0 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.166 CC1=NC(=NC=C1C(=O)O)N CNP0397736.0 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl CNP0526880.0 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.166 NC(=O)C1=CC=C(C=C1O)O CNP0268339.0 [0,0,0,0,0,0|1,0,0]=1 18 B11R1.166 NC1=CC(=CC=C1[N+](=O)[O-])Cl CNP0590572.0 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.166 NC1=CC=C(C(=C1)N)C(=O)O CNP0400011.0 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)O CNP0313106.0 [0,0,0,0,0,0|1,0,0]=1 21 B11R1.166 NC1=NC(=O)NC=C1C(=O)O CNP0343495.0 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.166 NC1=NC=C(C(=O)N1)C(=O)O CNP0397783.0 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.166 O=C(Cl)C1=CC=C(C=C1O)O CNP0210532.0 [0,0,0,0,0,0|1,0,0]=1 24 B11R1.166 O=C(O)C1=CC=C(C=C1Cl)Cl CNP0175601.0 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.166 O=C(O)C1=CC=C(C=C1O)O CNP0285956.0 [0,0,0,0,0,0|0,0,0]=0 26 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Cl CNP0609125.0 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.166 O=C(O)C1=CN=C(N=C1O)O CNP0502839.0 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.166 O=C(O)C1=CNC(=O)NC1=O CNP0610128.0 [0,0,0,0,0,0|2,0,2]=4 29 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1O)O CNP0564391.0 [0,0,0,0,0,0|1,0,1]=2 30 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [1,0,0,0,0,0|1,0,1]=3 47 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [1,0,0,0,0,0|1,0,1]=3 48 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [1,0,0,0,0,0|1,0,1]=3 55 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [1,0,0,0,0,0|1,0,1]=3 56 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [1,0,0,0,0,0|1,0,0]=2 58 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [1,0,0,0,0,0|0,0,0]=1 59 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [1,0,0,0,0,0|1,0,0]=2 60 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [1,0,0,0,0,0|0,0,1]=2 61 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [1,0,0,0,0,0|1,0,0]=2 63 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [1,0,0,0,0,0|1,0,1]=3 64 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [1,0,0,0,0,0|1,0,1]=3 65 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [1,0,0,0,0,0|1,1,0]=3 66 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [1,0,0,0,0,0|0,0,1]=2 67 B10R1.13 O=C1CC=C(C=N1)C(=O)O CNP0253562.0 [1,0,0,0,0,0|1,0,2]=4 68 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [1,0,0,0,0,0|1,0,1]=3 69 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.25 CC1=CC(=CC=C1N=O)N CNP0033954.0 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.25 CC1=CC(=O)C=CC1=NO CNP0220999.0 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [1,0,0,0,0,0|1,0,0]=2 76 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [1,0,0,0,0,0|1,0,1]=3 78 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [1,0,0,0,0,0|1,0,1]=3 83 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [1,0,0,0,0,0|0,0,0]=1 84 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.25 OCC1=CN=C(N=C1O)O CNP0334383.0 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,0,0,0,0,0|1,0,0]=2 90 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [1,0,0,0,0,0|1,0,0]=2 96 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.61 CN1CC=CC=C1C(=O)O CNP0610846.0 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.61 CN1[CH]C=CC=C1C(=O)O CNP0498568.0 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [1,0,0,0,0,0|1,0,0]=2 106 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.61 NC(=O)C1=CNC=CC1=O CNP0612033.0 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [1,0,0,0,0,0|1,0,0]=2 109 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [1,0,0,0,0,0|1,0,0]=2 111 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [1,0,0,0,0,0|0,0,0]=1 112 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [1,0,0,0,0,0|0,1,0]=2 113 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [1,0,0,0,0,0|0,0,1]=2 114 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [1,0,0,0,0,0|0,0,1]=2 115 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [1,0,0,0,0,0|1,0,1]=3 116 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [1,0,0,0,0,0|1,0,0]=2 118 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [1,0,0,0,0,0|1,0,0]=2 119 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [1,0,0,0,0,0|1,0,1]=3 120 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [1,0,0,0,0,0|1,0,0]=2 121 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [1,0,0,0,0,0|0,0,1]=2 122 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [1,0,0,0,0,0|0,0,1]=2 123 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [1,0,0,0,0,0|0,0,1]=2 124 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [1,0,0,0,0,0|0,1,1]=3 125 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [1,0,0,0,0,0|1,0,1]=3 126 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [1,0,0,0,0,0|1,0,0]=2 127 B12R1.57 C=C(C)C1=CC=C(C=C1OC)C CNP0333087.0 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.57 COC1=CC(=CC=C1C(=O)C)C CNP0305290.0 [0,1,0,0,0,0|2,0,0]=3 129 B12R1.57 COC1=CC(=CC=C1C(=O)C)O CNP0146399.0 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.57 COC1=CC(=CC=C1C(=O)O)O CNP0174648.0 [0,1,0,0,0,0|0,0,0]=1 131 B12R1.57 COC1=CC(=CC=C1[N+](=O)[O-])N CNP0537552.0 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.126 CC1=CC=C(C(=C1)O)C(C)(C)O CNP0116220.0 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C CNP0579678.0 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O CNP0136455.0 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)C CNP0284124.0 [0,1,0,0,0,0|1,0,0]=2 136 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O CNP0243066.0 [0,1,0,0,0,0|1,0,0]=2 137 B12R1.232 CC1=CC(=C(C=C1Br)C)C(=O)O CNP0462913.0 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C CNP0171746.0 [0,1,0,0,0,0|2,0,0]=3 139 B12R1.232 CC1=CC(=C(C=C1[N+](=O)[O-])O)O CNP0541795.0 [0,1,0,0,0,0|2,0,1]=4 140 B12R1.232 NC1=CC(=C(C=C1C(=O)O)O)O CNP0323910.0 [0,1,0,0,0,0|1,0,0]=2 141 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O CNP0129962.0 [0,1,0,0,0,0|0,0,0]=1 142 B12R1.452 CC(=O)C1=CC=C(C=C1O)CO CNP0111501.0 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.452 CC(C)C1=CC=C(C=C1O)CO CNP0290057.0 [0,1,0,0,0,0|2,0,1]=4 144 B12R1.452 COC1=CC=C(C(=C1)C)C(=O)O CNP0457363.0 [0,1,0,0,0,0|1,0,0]=2 145 B12R1.452 COC1=CC=C(C(=C1)C)[N+](=O)[O-] CNP0580280.0 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.452 COC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0479154.0 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)C CNP0324617.0 [0,1,0,0,0,0|1,0,0]=2 148 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CNP0206095.0 [0,1,0,0,0,0|1,0,0]=2 149 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)O CNP0102420.0 [0,1,0,0,0,0|0,0,0]=1 150 B12R1.893 CC(=O)C1=CC=C(C(=C1C)C)C CNP0584174.0 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.893 CC(=O)C1=CC=C(C(=C1O)C)O CNP0289312.0 [0,1,0,0,0,0|1,0,0]=2 152 B12R1.893 CC(=O)C1=CC=C(C(=C1O)O)O CNP0213966.0 [0,1,0,0,0,0|1,0,0]=2 153 B12R1.893 CC1=C(C=CC(=C1O)O)C(=O)O CNP0481433.0 [0,1,0,0,0,0|1,0,0]=2 154 B12R1.893 CC1=C(C=CC(=C1O)[N+](=O)[O-])O CNP0487415.0 [0,1,0,0,0,0|1,0,1]=3 155 B12R1.893 CC1=CC=C(C(=C1C)C)C(=O)O CNP0133340.0 [0,1,0,0,0,0|2,0,0]=3 156 B12R1.893 CC1=CC=C(C(=C1O)N)C(=O)O CNP0239974.0 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.893 NC1=C(C=CC(=C1O)Cl)C(=O)O CNP0571729.0 [0,1,0,0,0,0|2,0,0]=3 158 B12R1.893 O=C(O)C1=C(C(=O)C(=CO1)O)O CNP0274161.0 [0,1,0,0,0,0|1,0,0]=2 159 B12R1.893 O=C(O)C1=CC=C(C(=C1O)O)O CNP0165116.0 [0,1,0,0,0,0|0,0,0]=1 160 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)O CNP0488335.0 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)C CNP0142841.0 [0,1,0,0,0,0|1,0,0]=2 162 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O CNP0255105.0 [0,1,0,0,0,0|1,0,0]=2 163 B12R1.1000 CC(=O)C1=C(C=C(OC1=O)C)O CNP0309619.0 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.1000 CC(=O)C1=C(OC(=CC1=O)C)O CNP0290556.0 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)Cl)C CNP0037744.0 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)O)C CNP0444261.0 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O CNP0244321.0 [0,1,0,0,0,0|1,0,0]=2 168 B12R1.1000 CC1=CC(=C(C(=N1)C)C(=O)O)C CNP0551550.0 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.1000 CC1=CC(=C(C(=N1)N)C(=O)O)C CNP0236536.0 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.1000 CC1=CC(=CC(=C1C(=O)O)O)O CNP0194999.0 [0,1,0,0,0,0|0,0,0]=1 171 B12R1.1000 CC1=CC(=O)OC(=C1C(=O)O)C CNP0133346.0 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.1000 O=C(O)C1=C(C=C(C=C1O)O)O CNP0288966.0 [0,1,0,0,0,0|0,0,0]=1 173 B12R1.1703 C=C(CO)C1=CC=C(C=C1O)C CNP0106917.0 [0,1,0,0,0,0|2,0,0]=3 174 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)C CNP0366379.0 [0,1,0,0,0,0|2,0,0]=3 175 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)O CNP0203065.0 [0,1,0,0,0,0|1,0,0]=2 176 B12R1.1703 CC1=CC=C(C(=C1)O)[C@H](C)CO CNP0160693.1 [0,1,0,0,0,0|2,0,1]=4 177 B12R1.1703 CCC(=O)C1=CC=C(C=C1C)C CNP0099963.0 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.1703 COC(=O)C1=CC=C(C=C1C)O CNP0298795.0 [0,1,0,0,0,0|1,0,0]=2 179 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Cl CNP0168201.0 [0,1,0,0,0,0|2,0,0]=3 180 B12R1.1703 COC(=O)C1=CC=C(C=C1O)N CNP0026548.0 [0,1,0,0,0,0|1,0,0]=2 181 B12R1.1703 COC(=O)C1=CC=C(C=C1O)O CNP0316033.0 [0,1,0,0,0,0|0,0,0]=1 182 B12R1.1703 NNC(=O)C1=CC=C(C=C1Cl)Cl CNP0071041.0 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.1703 O=C(CCl)C1=CC=C(C=C1O)O CNP0037880.0 [0,1,0,0,0,0|1,0,0]=2 184 B10R0.13 C=C(CC(=O)O)C(=C)C(=O)O CNP0084078.0 [0,0,1,0,0,0|2,0,1]=4 185 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,0,0,1,0,0|3,0,0]=4 186 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 CNP0525702.0 [0,0,0,1,0,0|2,0,0]=3 187 B12R2.612 O=C1CCC2=CC(=CC=C12)O CNP0499088.0 [0,0,0,1,0,0|2,0,0]=3 188 B12R2.612 O=C1COC2=CC(=CC=C12)O CNP0333641.0 [0,0,0,1,0,0|1,0,0]=2 189 B12R2.612 O=C1NOC2=CC(=CC=C12)O CNP0499269.0 [0,0,0,1,0,0|1,0,0]=2 190 B12R2.612 OC1=CC=C2C(=NOC2=C1)O CNP0334574.0 [0,0,0,1,0,0|1,0,0]=2 191 B12R2.3028 CC1=CC(=C2C(=O)CC2=C1)C CNP0342183.0 [0,0,0,1,0,0|3,0,0]=4 192 B10R1.59 CC1=C(OC(=C1)O)C(=O)O CNP0509473.0 [0,0,0,0,1,0|2,0,0]=3 193 B10R1.59 CN1C=C(C=C1C(=O)O)Br CNP0127452.0 [0,0,0,0,1,0|3,0,0]=4 194 B10R1.59 O=C(O)C1=C(C=C(N1)Br)Br CNP0432593.0 [0,0,0,0,1,0|3,0,0]=4 195 B10R1.59 O=C(O)C1=C(NC(=C1)Br)Br CNP0018025.0 [0,0,0,0,1,0|3,0,0]=4 196 B10R1.194 CC1=C(C(=CO1)C(=O)O)O CNP0507263.0 [0,0,0,0,1,0|2,0,0]=3 197 B10R1.194 O=C(O)C1=C(C(=CN1)Br)Br CNP0430934.0 [0,0,0,0,1,0|3,0,0]=4 198 B10R1.194 O=C(O)C1=CSC(=C1Cl)Cl CNP0440279.0 [0,0,0,0,1,0|3,0,0]=4 199 B12R1.233 CC(=O)NC1=CC=C(C=C1C)C CNP0024058.0 [0,0,0,0,0,1|3,0,0]=4 200 B12R1.233 CC(=O)NC1=CC=C(C=C1C)Cl CNP0052006.0 [0,0,0,0,0,1|3,0,0]=4 201 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Br CNP0055151.0 [0,0,0,0,0,1|3,0,0]=4 202 B12R1.233 CC(=O)NC1=CC=C(C=C1O)C CNP0038952.0 [0,0,0,0,0,1|2,0,0]=3 203 B12R1.233 CC(=O)NC1=CC=C(C=C1O)Cl CNP0039766.0 [0,0,0,0,0,1|2,0,0]=3 204 B12R1.233 CC(=O)OC1=CC=C(C=C1Br)Br CNP0200680.0 [0,0,0,0,0,1|3,0,0]=4 205 B12R1.233 CC(=O)OC1=CC=C(C=C1C)O CNP0077014.0 [0,0,0,0,0,1|2,0,0]=3 206 B12R1.233 O=C(O)CC1=CC=C(C=C1O)O CNP0153620.0 [0,0,0,0,0,1|0,0,0]=1 207 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [1,0,1,0,0,0|1,0,0]=3 208 B9R0.53 CC(=O)C=C(O)C=C(O)O CNP0479225.0 [1,0,1,0,0,0|2,0,0]=4 209 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [2,0,0,0,0,0|1,0,0]=3 211 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [2,0,0,0,0,0|1,0,0]=3 212 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [2,0,0,0,0,0|1,0,1]=4 213 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [2,0,0,0,0,0|1,0,1]=4 216 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [2,0,0,0,0,0|1,0,1]=4 219 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [2,0,0,0,0,0|1,0,0]=3 221 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [2,0,0,0,0,0|1,0,1]=4 222 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [2,0,0,0,0,0|0,0,0]=2 223 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [2,0,0,0,0,0|1,0,1]=4 224 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [2,0,0,0,0,0|1,0,1]=4 226 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [2,0,0,0,0,0|0,0,1]=3 227 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [2,0,0,0,0,0|1,0,1]=4 228 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [2,0,0,0,0,0|1,0,0]=3 230 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [2,0,0,0,0,0|1,0,1]=4 234 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [2,0,0,0,0,0|1,0,1]=4 235 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [2,0,0,0,0,0|1,0,0]=3 237 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [2,0,0,0,0,0|0,0,0]=2 244 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [2,0,0,0,0,0|1,0,0]=3 245 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [2,0,0,0,0,0|1,0,0]=3 246 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [2,0,0,0,0,0|1,0,0]=3 247 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [2,0,0,0,0,0|0,1,0]=3 249 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [2,0,0,0,0,0|0,0,1]=3 250 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [2,0,0,0,0,0|0,0,1]=3 251 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [2,0,0,0,0,0|0,0,1]=3 252 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [2,0,0,0,0,0|1,0,1]=4 253 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [2,0,0,0,0,0|1,0,1]=4 254 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [2,0,0,0,0,0|1,0,0]=3 255 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [2,0,0,0,0,0|1,0,1]=4 256 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [2,0,0,0,0,0|1,0,0]=3 257 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [2,0,0,0,0,0|1,0,0]=3 258 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [2,0,0,0,0,0|1,0,0]=3 259 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [2,0,0,0,0,0|1,0,1]=4 260 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [2,0,0,0,0,0|1,0,0]=3 262 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [2,0,0,0,0,0|1,0,0]=3 263 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [2,0,0,0,0,0|1,0,1]=4 264 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [2,0,0,0,0,0|1,0,1]=4 266 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [2,0,0,0,0,0|1,0,0]=3 269 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [2,0,0,0,0,0|1,0,1]=4 270 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [2,0,0,0,0,0|1,0,1]=4 271 B9R1.15 O=CC1=C(C=COC1)O CNP0216664.0 [2,0,0,0,0,0|1,0,1]=4 272 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [2,0,0,0,0,0|1,0,0]=3 273 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [2,0,0,0,0,0|0,0,0]=2 274 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [2,0,0,0,0,0|0,0,1]=3 275 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [2,0,0,0,0,0|1,0,0]=3 278 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [2,0,0,0,0,0|1,0,1]=4 279 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [2,0,0,0,0,0|1,0,1]=4 283 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [2,0,0,0,0,0|1,0,0]=3 284 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [2,0,0,0,0,0|1,0,1]=4 285 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [2,0,0,0,0,0|0,0,1]=3 286 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [2,0,0,0,0,0|1,0,0]=3 287 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [2,0,0,0,0,0|1,0,0]=3 288 B9R1.69 NC1=CC=C(C(=C1)N)O CNP0003471.0 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [2,0,0,0,0,0|0,0,1]=3 290 B9R1.69 OC1=CC(=CC=C1Cl)Cl CNP0236901.0 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [2,0,0,0,0,0|1,0,0]=3 292 B9R1.69 OC1=CC=C(C(=C1)Cl)Cl CNP0386646.0 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [2,0,0,0,0,0|1,0,0]=3 294 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [2,0,0,0,0,0|0,0,0]=2 295 B9R1.69 OC1=CC=C(C=C1Br)Br CNP0216116.0 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.69 OC1=CC=C(C=C1Cl)Cl CNP0401033.0 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.69 OC1=NC=C(C(=N1)O)O CNP0090439.0 [2,0,0,0,0,0|2,0,0]=4 298 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O CNP0513206.0 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.3 CNC1=CC=C(C=C1)C(=O)N CNP0151690.0 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [1,1,0,0,0,0|1,0,0]=3 307 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [1,1,0,0,0,0|0,0,0]=2 308 B11R1.3 COC1=CC=C(C=C1)S(=O)=O CNP0546840.0 [1,1,0,0,0,0|1,0,1]=4 309 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [1,1,0,0,0,0|1,0,1]=4 310 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [1,1,0,0,0,0|1,0,1]=4 311 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] CNP0529321.0 [1,1,0,0,0,0|1,0,1]=4 312 B11R1.3 COC1=CC=C(C=N1)C(=O)O CNP0193366.0 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.3 N=C(N)C1=CC=C(C=C1)CO CNP0538399.0 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.3 NC(=O)C1=CC=C(C=C1)C=O CNP0575281.0 [1,1,0,0,0,0|1,0,1]=4 315 B11R1.3 NNC1=CC=C(C=C1)C(=O)O CNP0496695.0 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr CNP0050291.0 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.3 O=C(O)C1=CC=C(C=C1)CO CNP0163373.0 [1,1,0,0,0,0|0,0,0]=2 318 B11R1.3 O=C(O)C1=CC=C(C=C1)[Hg]O CNP0547098.0 [1,1,0,0,0,0|0,0,0]=2 319 B11R1.3 O=C(O)C1=CN=C(C=N1)CO CNP0383390.0 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O CNP0158402.0 [1,1,0,0,0,0|0,0,1]=3 321 B11R1.3 O=NC1=CC=C(C=C1)C(=O)O CNP0442117.0 [1,1,0,0,0,0|0,0,1]=3 322 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O CNP0341593.0 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.19 NC1=CC=C(C=C1)S(=O)(=O)O CNP0300837.0 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.19 NC1=CC=C(C=C1)[As](=O)(O)O CNP0474348.0 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)O CNP0475877.0 [1,1,0,0,0,0|1,0,0]=3 327 B11R1.19 O=S(=O)(O)C1=CC=C(C=C1)O CNP0102094.0 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.19 O=S(=O)(O)C1=CC=C(C=C1)[Hg] CNP0505241.0 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [1,1,0,0,0,0|1,0,0]=3 333 B11R1.21 CC1=CC(=CC=C1O)C(=O)O CNP0305353.0 [1,1,0,0,0,0|0,0,0]=2 334 B11R1.21 CC1=CC=C(C=C1C)C(=O)N CNP0387935.0 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.21 CN1C=C(C=CC1=O)C(=O)O CNP0136116.0 [1,1,0,0,0,0|1,0,1]=4 338 B11R1.21 NC(=O)C1=CC=C(C(=C1)N)O CNP0336966.0 [1,1,0,0,0,0|1,0,0]=3 339 B11R1.21 NC(=O)C1=CC=C(C(=C1)O)O CNP0582162.0 [1,1,0,0,0,0|1,0,0]=3 340 B11R1.21 NC1=CC(=CC=C1O)C(=O)O CNP0343618.0 [1,1,0,0,0,0|0,0,0]=2 341 B11R1.21 NC1=CC=C(C=C1N)C(=O)O CNP0515616.0 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.21 NC1=CC=C(C=C1O)C(=O)O CNP0018090.0 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.21 O=C(O)C1=CC(=O)C(=CO1)O CNP0498099.0 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.21 O=C(O)C1=CC=C(C(=C1)Br)O CNP0414254.0 [1,1,0,0,0,0|0,0,0]=2 345 B11R1.21 O=C(O)C1=CC=C(C(=C1)Cl)O CNP0131355.0 [1,1,0,0,0,0|0,0,0]=2 346 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)O CNP0348948.0 [1,1,0,0,0,0|0,0,0]=2 347 B11R1.21 O=C(O)C1=CC[C@H](C(=C1)O)O CNP0081104.1 [1,1,0,0,0,0|0,0,2]=4 348 B11R1.21 O=C(O)C1=COC(=O)C(=C1)Br CNP0460308.0 [1,1,0,0,0,0|1,0,1]=4 349 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)Cl)O CNP0491874.0 [1,1,0,0,0,0|1,0,1]=4 350 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)O CNP0593657.0 [1,1,0,0,0,0|1,0,1]=4 351 B11R1.22 C=C[C@@H](O)C1=CC=C(C=C1)O CNP0280373.2 [1,1,0,0,0,0|1,0,1]=4 352 B11R1.22 C=C[C@H](O)C1=CC=C(C=C1)O CNP0280373.1 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.22 CC1=CC=C(C=C1)C(=NO)N CNP0330819.0 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [1,1,0,0,0,0|1,0,0]=3 355 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [1,1,0,0,0,0|1,0,0]=3 357 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [1,1,0,0,0,0|1,0,1]=4 358 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [1,1,0,0,0,0|1,0,0]=3 360 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [1,1,0,0,0,0|0,0,0]=2 362 B11R1.22 COC(=O)C1=COC(=O)C=C1 CNP0038303.0 [1,1,0,0,0,0|1,0,1]=4 363 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [1,1,0,0,0,0|1,0,1]=4 364 B11R1.22 N#C[C@@H](O)C1=CC=C(C=C1)O CNP0245965.1 [1,1,0,0,0,0|1,0,1]=4 365 B11R1.22 N#C[C@H](O)C1=CC=C(C=C1)O CNP0245965.2 [1,1,0,0,0,0|1,0,1]=4 366 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [1,1,0,0,0,0|1,0,1]=4 367 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [1,1,0,0,0,0|1,0,1]=4 368 B11R1.22 NNC(=O)C1=CC=C(C=C1)Cl CNP0071039.0 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.22 NNC(=O)C1=CC=C(C=C1)O CNP0382573.0 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [1,1,0,0,0,0|0,0,0]=2 372 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br CNP0218698.0 [1,1,0,0,0,0|1,0,0]=3 373 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [1,1,0,0,0,0|0,0,1]=3 374 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [1,1,0,0,0,0|0,0,2]=4 375 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [1,1,0,0,0,0|0,0,2]=4 376 B11R1.22 ON=C(Cl)C1=CC=C(C=C1)Cl CNP0052470.0 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.37 C=CC1=CC=C(C=C1OC)O CNP0611852.0 [1,1,0,0,0,0|1,0,0]=3 378 B11R1.37 COC1=CC(=CC=C1C=O)O CNP0328475.0 [1,1,0,0,0,0|0,0,0]=2 379 B11R1.37 COC1=CC=C(C=C1OC)O CNP0220201.0 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.81 C=CCC1=CC=C(C=C1O)O CNP0329689.0 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.81 CC1=CC(=CC=C1NC=O)Cl CNP0105293.0 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.81 CC=CC1=CC=C(C=C1O)O CNP0287059.0 [1,1,0,0,0,0|1,0,0]=3 383 B11R1.81 N#CCC1=CC=C(C=C1O)O CNP0137512.0 [1,1,0,0,0,0|1,0,1]=4 384 B11R1.81 OCCC1=CC=C(C=C1O)O CNP0163682.0 [1,1,0,0,0,0|0,0,1]=3 385 B11R1.277 CC1=CC(=C(C=C1C)C=O)C CNP0085942.0 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.277 CC1=CC(=C(C=C1O)C)N=O CNP0314907.0 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.277 O=CC1=CC(=C(C=C1Br)O)O CNP0158213.0 [1,1,0,0,0,0|1,0,0]=3 388 B11R1.277 O=CC1=CC(=C(C=C1O)O)O CNP0294137.0 [1,1,0,0,0,0|0,0,0]=2 389 B11R1.277 OCC1=CC(=C(C=C1O)Cl)O CNP0329388.0 [1,1,0,0,0,0|1,0,1]=4 390 B11R1.278 CC1=C(C=CC(=C1O)N=O)O CNP0064746.0 [1,1,0,0,0,0|1,0,0]=3 391 B11R1.278 CC1=C(C=CC(=C1O)O)C=O CNP0202109.0 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.278 CC1=CC=C(C(=C1C)C)C=O CNP0307883.0 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.278 O=C1C(=COC(=C1O)CO)O CNP0142148.0 [1,1,0,0,0,0|1,0,1]=4 394 B11R1.278 O=CC1=CC=C(C(=C1O)O)O CNP0080275.0 [1,1,0,0,0,0|0,0,0]=2 395 B11R1.279 CC1=CC(=CC=C1C=O)C=O CNP0301871.0 [1,1,0,0,0,0|1,0,1]=4 396 B11R1.279 CC1=CC(=NO)C=CC1=NO CNP0317320.0 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.279 COC1=CC=C(C(=C1)O)C=O CNP0298651.0 [1,1,0,0,0,0|0,0,0]=2 398 B11R1.279 COC1=CC=C(C(=C1)O)OC CNP0373176.0 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.279 NCC1=CC=C(C(=C1)O)CO CNP0119562.0 [1,1,0,0,0,0|1,0,1]=4 401 B11R1.464 CC1=CC(=C(C(=C1)C)C=O)C CNP0234902.0 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.464 CC1=CC(=C(C(=C1)Cl)C=O)Cl CNP0026222.0 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.464 CC1=CC(=C(C(=C1)O)C=O)O CNP0218508.0 [1,1,0,0,0,0|1,0,0]=3 404 B11R1.464 CC1=CC(=CC(=C1C=O)O)O CNP0115622.0 [1,1,0,0,0,0|0,0,0]=2 405 B11R1.464 COC1=C(C=C(C=C1O)O)O CNP0224483.0 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.464 O=CC1=C(C=C(C=C1O)O)O CNP0198826.0 [1,1,0,0,0,0|0,0,0]=2 407 B11R1.53 C=C(C)C1=CC=CC=C1CO CNP0577541.0 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.53 C=C(C)C1=CC=CC=C1OC CNP0134279.0 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [1,1,0,0,0,0|1,0,0]=3 410 B11R1.53 CC(O)C1=CC=CC=C1CO CNP0540507.0 [1,1,0,0,0,0|1,0,1]=4 411 B11R1.53 CNC1=CC=CC=C1C(=O)N CNP0211327.0 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.53 CNC1=CC=CC=C1C(=O)O CNP0163080.0 [1,1,0,0,0,0|1,0,0]=3 413 B11R1.53 COC1=CC=CC=C1C(=O)O CNP0156098.0 [1,1,0,0,0,0|0,0,0]=2 414 B11R1.53 COC1=CC=NC=C1C(=O)O CNP0300933.0 [1,1,0,0,0,0|1,0,0]=3 415 B11R1.53 COC1=CN=CC=C1C(=O)O CNP0542461.0 [1,1,0,0,0,0|1,0,0]=3 416 B11R1.53 COC1=NC=CC=C1C(=O)O CNP0479827.0 [1,1,0,0,0,0|1,0,0]=3 417 B11R1.53 NC(=O)C1=CC=CC=C1NO CNP0577643.0 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.53 NNC1=NC=CC=C1C(=O)O CNP0076612.0 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.53 O=C(O)C1=CC=CC=C1CO CNP0283123.0 [1,1,0,0,0,0|0,0,0]=2 420 B11R1.53 O=C(O)C1=CC=CC=C1NO CNP0085034.0 [1,1,0,0,0,0|0,0,0]=2 421 B11R1.53 O=CC1=CC=CC=C1C(=O)O CNP0610125.0 [1,1,0,0,0,0|0,0,1]=3 422 B11R1.53 O=NC1=CC=CC=C1C(=O)O CNP0076644.0 [1,1,0,0,0,0|0,0,1]=3 423 B11R1.87 C[P@@](=O)(O)C1=CC=CC=C1O CNP0454510.1 [1,1,0,0,0,0|1,0,0]=3 424 B11R1.87 O=P(O)(O)C1=CC=CC=C1O CNP0471602.0 [1,1,0,0,0,0|1,0,0]=3 425 B11R1.87 O=S(=O)(O)C1=CC=CC=C1O CNP0450543.0 [1,1,0,0,0,0|1,0,0]=3 426 B11R1.156 C=C(C)C1=C(C=CC=C1O)C CNP0547985.0 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.156 CC(=O)C1=C(C=CC=C1O)C CNP0305756.0 [1,1,0,0,0,0|1,0,0]=3 428 B11R1.156 CC(=O)C1=C(C=CC=C1O)O CNP0132108.0 [1,1,0,0,0,0|1,0,0]=3 429 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CNP0307151.0 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.156 CC1=CC=CC(=C1C(=O)O)C CNP0447536.0 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.156 CC1=CC=CC(=C1C(=O)O)N CNP0474196.0 [1,1,0,0,0,0|1,0,0]=3 432 B11R1.156 CC1=CC=CC(=C1C(=O)O)O CNP0206449.0 [1,1,0,0,0,0|0,0,0]=2 433 B11R1.156 NC(=O)C1=C(C=CC=C1Cl)Cl CNP0189889.0 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.156 O=C(O)C1=C(C=CC=C1O)O CNP0200151.0 [1,1,0,0,0,0|0,0,0]=2 435 B11R1.156 O=C(O)C1=C(C=CN=C1O)O CNP0335084.0 [1,1,0,0,0,0|1,0,0]=3 436 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [1,1,0,0,0,0|1,0,0]=3 437 B11R1.159 CC1=CC=CC(=C1N)C(=O)O CNP0472872.0 [1,1,0,0,0,0|1,0,0]=3 438 B11R1.159 CC1=CC=CC(=C1O)C(=O)O CNP0134592.0 [1,1,0,0,0,0|0,0,0]=2 439 B11R1.159 NC(=O)C1=CC=CC(=C1N)O CNP0129939.0 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.159 NC(=O)C1=CC=CC(=C1O)O CNP0115939.0 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.159 NC1=C(C=CC=C1C(=O)O)Cl CNP0150804.0 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.159 NC1=C(C=CC=C1C(=O)O)O CNP0324729.0 [1,1,0,0,0,0|1,0,0]=3 443 B11R1.159 NC1=CC=CC(=C1N)C(=O)O CNP0140316.0 [1,1,0,0,0,0|1,0,0]=3 444 B11R1.159 NC1=CC=CC(=C1O)C(=O)O CNP0299279.0 [1,1,0,0,0,0|0,0,0]=2 445 B11R1.159 O=C(O)C1=C(C(=O)C=CN1)O CNP0608712.0 [1,1,0,0,0,0|1,0,0]=3 446 B11R1.159 O=C(O)C1=CC=CC(=C1O)O CNP0283277.0 [1,1,0,0,0,0|0,0,0]=2 447 B11R1.159 O=C(O)C1=CC=CC(=O)C1=O CNP0189448.0 [1,1,0,0,0,0|0,0,1]=3 448 B11R1.159 O=C(O)C1=CC=C[C@@H]([C@H]1O)O CNP0176375.1 [1,1,0,0,0,0|0,0,2]=4 449 B11R1.159 O=C(O)C1=NC=CC(=C1O)O CNP0146283.0 [1,1,0,0,0,0|1,0,0]=3 450 B11R1.159 O=C([O-])C1=CC=CC(=C1O)O CNP0535153.0 [1,1,0,0,0,0|0,0,1]=3 451 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [1,1,0,0,0,0|1,0,0]=3 453 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [1,1,0,0,0,0|1,0,0]=3 454 B11R1.167 CC1=CC=C(C(=C1)C(=O)N)C CNP0373420.0 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)C CNP0331077.0 [1,1,0,0,0,0|1,0,0]=3 456 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0600136.0 [1,1,0,0,0,0|1,0,1]=4 457 B11R1.167 CC1=CC=C(C=C1C(=O)O)O CNP0535211.0 [1,1,0,0,0,0|1,0,0]=3 458 B11R1.167 CC1=CC=[N+](C=C1C(=O)O)[O-] CNP0577851.0 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)O CNP0079833.0 [1,1,0,0,0,0|0,0,0]=2 460 B11R1.167 NC1=CC=C(C=C1C(=O)O)O CNP0213879.0 [1,1,0,0,0,0|1,0,0]=3 461 B11R1.167 O=C(O)C1=CC(=CC=C1O)O CNP0187458.0 [1,1,0,0,0,0|0,0,0]=2 462 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Cl CNP0350104.0 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)Cl CNP0485748.0 [1,1,0,0,0,0|1,0,1]=4 464 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)O CNP0527393.0 [1,1,0,0,0,0|1,0,1]=4 465 B11R1.167 OC1=CC=C(C(=C1)C(O)Cl)O CNP0519910.0 [1,1,0,0,0,0|1,0,1]=4 466 B11R1.222 CC(=NO)C1=CC=CC=C1N CNP0306135.0 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [1,1,0,0,0,0|1,0,0]=3 469 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [1,1,0,0,0,0|0,0,0]=2 471 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.222 COC(=O)C1=CN=CC=C1N CNP0157135.0 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.222 NNC(=O)C1=CC=CC=C1Cl CNP0255519.0 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.222 O=C(NO)C1=CC=CC=C1O CNP0106659.0 [1,1,0,0,0,0|0,0,0]=2 475 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [1,1,0,0,0,0|0,0,0]=2 476 B13R1.51 COC1=CC(=CC=C1NC(=O)C)O CNP0571653.0 [0,1,0,0,0,1|1,0,0]=3 477 B13R1.51 COC1=CC(=CC=C1OC(=O)C)C CNP0189629.0 [0,1,0,0,0,1|2,0,0]=4 478 B13R1.163 CC(=O)C(=O)C1=CC=C(C=C1O)C CNP0147494.0 [0,1,0,0,0,1|2,0,0]=4 479 B13R1.163 CC(=O)[C@@H](C)C1=CC=C(C=C1O)C CNP0325970.1 [0,1,0,0,0,1|2,0,0]=4 480 B13R1.163 CC(=O)[C@@H](O)C1=CC=C(C=C1O)C CNP0151218.2 [0,1,0,0,0,1|2,0,0]=4 481 B13R1.163 CC(=O)[C@H](O)C1=CC=C(C=C1O)C CNP0151218.1 [0,1,0,0,0,1|2,0,0]=4 482 B13R1.163 N[C@@H](C(=O)O)C1=CC=C(C=C1Cl)Cl CNP0491467.1 [0,1,0,0,0,1|2,0,0]=4 483 B13R1.163 N[C@H](C(=O)O)C1=CC=C(C=C1Cl)Cl CNP0491467.2 [0,1,0,0,0,1|2,0,0]=4 484 B13R1.653 COC1=CC=C(C(=C1)O)CC(=O)O CNP0239375.0 [0,1,0,0,0,1|0,0,0]=2 485 B13R1.653 COC1=CC=C(C(=C1)O)C[C@H](C)O CNP0360565.1 [0,1,0,0,0,1|1,0,1]=4 486 B13R1.653 COC1=CC=C(C(=C1)O)NC(=O)C CNP0561115.0 [0,1,0,0,0,1|1,0,0]=3 487 B13R1.876 NC(=O)CC1=CC(=C(C=C1O)Br)O CNP0313752.0 [0,1,0,0,0,1|2,0,0]=4 488 B13R1.876 O=C(O)CC1=CC(=C(C=C1O)O)O CNP0083814.0 [0,1,0,0,0,1|0,0,0]=2 489 B13R1.883 CC1=CC=C(C(=C1)O)OS(=O)(=O)O CNP0001347.0 [0,1,0,0,0,1|2,0,0]=4 490 B13R1.2679 COC(=O)CC1=CC=C(C=C1O)O CNP0527906.0 [0,1,0,0,0,1|0,0,0]=2 491 B13R1.3783 C=C(C)C1=C(C(=O)C(=CC=C1)O)O CNP0580002.0 [0,1,0,0,0,1|2,0,0]=4 492 B13R1.7910 O=C(O)C1=CC(=CC(=O)C(=C1)O)O CNP0386274.0 [0,1,0,0,0,1|0,0,1]=3 493 B13R1.7910 O=C(O)C1=CC(=O)C(=CC(=C1)O)O CNP0604744.0 [0,1,0,0,0,1|0,0,0]=2 494 B13R1.7910 O=C(O)C1=CC(=O)C=C(C(=C1)O)O CNP0073815.0 [0,1,0,0,0,1|0,0,1]=3 495 B13R1.99 COC1=CC(=CC=C1[N+](=O)[O-])CO CNP0514996.0 [0,2,0,0,0,0|1,0,1]=4 496 B13R1.99 COC1=CC=C(C(=C1)OC)C(=O)C CNP0393689.0 [0,2,0,0,0,0|1,0,0]=3 497 B13R1.99 COC1=CC=C(C(=C1)OC)C(=O)O CNP0199475.0 [0,2,0,0,0,0|0,0,0]=2 498 B13R1.315 CCC1=CC(=CC(=C1C(=O)O)O)O CNP0387361.0 [0,2,0,0,0,0|0,0,0]=2 499 B13R1.315 COC1=CC(=CC(=C1C(=O)C)O)C CNP0249495.0 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.315 COC1=CC(=CC(=C1C(=O)C)O)O CNP0293101.0 [0,2,0,0,0,0|1,0,0]=3 501 B13R1.315 COC1=CC(=CC(=C1C(=O)O)C)C CNP0461364.0 [0,2,0,0,0,0|1,0,0]=3 502 B13R1.315 COC1=CC(=CC(=C1C(=O)O)O)C CNP0350320.0 [0,2,0,0,0,0|1,0,0]=3 503 B13R1.2065 COC(=O)C1=CC=C(C=C1OC)O CNP0161854.0 [0,2,0,0,0,0|0,0,0]=2 504 B13R1.2398 COC1=CC(=C(C=C1C(=O)C)O)O CNP0173358.0 [0,2,0,0,0,0|1,0,0]=3 505 B13R1.2398 COC1=CC(=C(C=C1C(=O)O)Cl)N CNP0575388.0 [0,2,0,0,0,0|1,0,0]=3 506 B13R1.3158 CC1=NC=C(C(=C1O)CO)C(=O)O CNP0580769.0 [0,2,0,0,0,0|2,0,0]=4 507 B13R1.652 COC1=CC(=C(C=C1Br)C(=O)C)O CNP0197660.0 [0,2,0,0,0,0|1,0,0]=3 508 B13R1.652 COC1=CC(=C(C=C1C)C(=O)O)C CNP0473530.0 [0,2,0,0,0,0|1,0,0]=3 509 B13R1.652 COC1=CC(=C(C=C1O)C(=O)C)O CNP0205734.0 [0,2,0,0,0,0|1,0,0]=3 510 B13R1.1807 CCC(=O)C1=CC(=C(C=C1O)O)O CNP0201482.0 [0,2,0,0,0,0|1,0,0]=3 511 B13R1.2811 CC(=O)C1=CC(=C(C(=C1O)C)O)C CNP0250819.0 [0,2,0,0,0,0|1,0,0]=3 512 B13R1.2811 CC(=O)C1=CC(=C(C(=C1O)O)O)C CNP0137870.0 [0,2,0,0,0,0|1,0,0]=3 513 B13R1.2811 CC1=C(C=C(C(=C1O)O)O)C(=O)O CNP0583118.0 [0,2,0,0,0,0|1,0,0]=3 514 B13R1.2811 CC1=CC(=C(C(=C1C)C)C)C(=O)O CNP0451162.0 [0,2,0,0,0,0|2,0,0]=4 515 B13R1.2812 CC(=O)C1=C(C=C(C(=C1C)C)O)O CNP0504557.0 [0,2,0,0,0,0|1,0,0]=3 516 B13R1.2812 CC(=O)C1=C(C=C(C(=C1O)C)O)O CNP0105460.0 [0,2,0,0,0,0|1,0,0]=3 517 B13R1.2812 CC(=O)C1=C(C=C(C(=C1O)O)O)O CNP0328473.0 [0,2,0,0,0,0|1,0,0]=3 518 B13R1.2812 CC1=C(C(=CC(=C1C(=O)O)O)O)Br CNP0498175.0 [0,2,0,0,0,0|0,0,0]=2 519 B13R1.2812 CC1=C(C(=CC(=C1C(=O)O)O)O)Cl CNP0345358.0 [0,2,0,0,0,0|0,0,0]=2 520 B13R1.2812 CC1=C(C=C(C(=C1C)C(=O)O)O)O CNP0302993.0 [0,2,0,0,0,0|0,0,0]=2 521 B13R1.2812 CC1=CC(=C(C(=C1C(=O)O)O)C)O CNP0165507.0 [0,2,0,0,0,0|0,0,0]=2 522 B13R1.2812 CC1=CC(=C(C(=C1C)C)C(=O)O)C CNP0441286.0 [0,2,0,0,0,0|2,0,0]=4 523 B13R1.2812 NC1=C(C=C(C(=C1I)C(=O)O)I)I CNP0463821.0 [0,2,0,0,0,0|2,0,0]=4 524 B13R1.95 CCC(=O)C1=CC=C(C=C1O)OC CNP0227317.0 [0,2,0,0,0,0|1,0,0]=3 525 B13R1.95 COC(=O)C1=CC=C(C=C1O)OC CNP0304629.0 [0,2,0,0,0,0|0,0,0]=2 526 B13R1.120 CC(=O)C1=CC=C(C=C1O)C(=O)O CNP0605440.0 [0,2,0,0,0,0|1,0,0]=3 527 B13R1.120 CC1=CC(=CC=C1C(=O)O)C(=O)N CNP0577452.0 [0,2,0,0,0,0|1,0,1]=4 528 B13R1.120 CC1=CC(=CC=C1C(=O)O)[N+](=O)[O-] CNP0606851.0 [0,2,0,0,0,0|1,0,1]=4 529 B13R1.120 NC1=CC(=CC=C1C(=O)O)[N+](=O)[O-] CNP0556321.0 [0,2,0,0,0,0|1,0,1]=4 530 B13R1.120 O=C(O)C1=CC=C(C(=C1)O)C(=O)O CNP0423012.0 [0,2,0,0,0,0|0,0,0]=2 531 B13R1.428 COC1=CC(=C(C(=C1)C)C(=O)O)C CNP0279778.0 [0,2,0,0,0,0|1,0,0]=3 532 B13R1.428 COC1=CC(=C(C(=C1)O)C(=O)C)C CNP0119132.0 [0,2,0,0,0,0|1,0,0]=3 533 B13R1.428 COC1=CC(=C(C(=C1)O)C(=O)C)O CNP0276533.0 [0,2,0,0,0,0|1,0,0]=3 534 B13R1.428 COC1=CC(=C(C(=C1)O)C(=O)O)C CNP0163460.0 [0,2,0,0,0,0|0,0,0]=2 535 B13R1.428 COC1=CC(=C(C(=C1)O)C(=O)O)O CNP0166928.0 [0,2,0,0,0,0|0,0,0]=2 536 B13R1.3096 COC1=CC=C(C(=C1N)O)C(=O)N CNP0395135.0 [0,2,0,0,0,0|1,0,0]=3 537 B13R1.3096 COC1=CC=C(C(=C1O)O)C(=O)C CNP0408569.0 [0,2,0,0,0,0|1,0,0]=3 538 B13R1.3096 COC1=CC=C(C(=C1O)O)C(=O)O CNP0277888.0 [0,2,0,0,0,0|0,0,0]=2 539 B13R1.1808 CC1=C(C=CC(=C1O)C(=O)CCl)O CNP0124748.0 [0,2,0,0,0,0|1,0,0]=3 540 B13R1.1808 COC(=O)C1=CC=C(C(=C1N)O)C CNP0250480.0 [0,2,0,0,0,0|2,0,0]=4 541 B13R1.1808 COC(=O)C1=CC=C(C(=C1O)O)O CNP0181804.0 [0,2,0,0,0,0|0,0,0]=2 542 B13R1.3230 COC1=C(C=CC(=C1O)C(=O)C)O CNP0578194.0 [0,2,0,0,0,0|1,0,0]=3 543 B13R1.3230 COC1=C(C=CC(=C1O)C(=O)N)O CNP0315935.0 [0,2,0,0,0,0|1,0,0]=3 544 B13R1.4656 CCC(=O)C1=C(C=C(C=C1O)O)O CNP0187194.0 [0,2,0,0,0,0|1,0,0]=3 545 B13R1.4656 COC(=O)C1=C(C=C(C=C1O)C)O CNP0387213.0 [0,2,0,0,0,0|1,0,0]=3 546 B13R1.4656 COC(=O)C1=C(C=C(C=C1O)O)C CNP0150273.0 [0,2,0,0,0,0|0,0,0]=2 547 B13R1.4656 COC(=O)C1=C(C=C(C=C1O)O)O CNP0228993.0 [0,2,0,0,0,0|0,0,0]=2 548 B13R1.4656 O=C(CO)C1=C(C=C(C=C1O)O)O CNP0139666.0 [0,2,0,0,0,0|0,0,0]=2 549 B13R1.1511 CCOC(=O)C1=CC=C(C=C1O)O CNP0403954.0 [0,2,0,0,0,0|0,0,0]=2 550 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [0,0,1,1,0,0|1,0,1]=4 551 B11R1.80 O=C(O)C=C1C=C(C(=O)O1)Cl CNP0437115.0 [0,0,1,1,0,0|2,0,0]=4 552 B11R1.175 O=C(O)C1=COC(=C1)C(=O)O CNP0604129.0 [0,0,1,1,0,0|1,0,0]=3 553 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [1,0,0,1,0,0|2,0,0]=4 554 B11R2.36 OC1=CC=C2C=COC2=C1 CNP0263236.0 [1,0,0,1,0,0|1,0,0]=3 555 B11R2.36 OC1=CC=C2OCOC2=C1 CNP0223104.0 [1,0,0,1,0,0|2,0,0]=4 556 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [1,0,0,1,0,0|2,0,0]=4 557 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [1,0,0,1,0,0|2,0,0]=4 558 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [1,0,0,1,0,0|2,0,0]=4 559 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [1,0,0,1,0,0|1,0,0]=3 560 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [1,0,0,1,0,0|2,0,0]=4 561 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [1,0,0,1,0,0|2,0,0]=4 562 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [1,0,0,1,0,0|1,1,0]=4 563 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [1,0,0,1,0,0|1,0,0]=3 564 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [1,0,0,1,0,0|2,0,0]=4 565 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [1,0,0,1,0,0|2,0,0]=4 566 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [1,0,0,1,0,0|1,0,0]=3 567 B11R2.468 O=C1CC2=CC=CC(=C12)Br CNP0327870.0 [1,0,0,1,0,0|2,0,0]=4 568 B11R2.468 O=C1CC2=CC=CC(=C12)Cl CNP0193006.0 [1,0,0,1,0,0|2,0,0]=4 569 B13R2.3683 O=C1C=CC2=CC(=CC=C2O1)O CNP0194748.0 [0,0,0,1,0,1|2,0,0]=4 570 B13R2.3683 O=C1CCC2=CC(=CC=C2N1)O CNP0247732.0 [0,0,0,1,0,1|2,0,0]=4 571 B13R2.3683 O=C1CSC2=CC(=CC=C2N1)O CNP0119141.0 [0,0,0,1,0,1|1,1,0]=4 572 B13R2.3683 OC1=CC=C2C=C(C=CC2=C1)O CNP0421775.0 [0,0,0,1,0,1|2,0,0]=4 573 B13R2.5397 CC1=CC(=C2CC(=O)OC2=C1)C CNP0412114.0 [0,0,0,1,0,1|2,0,0]=4 574 B13R2.1944 COC1=CC(=CC2=C1C(=O)C2)C CNP0407597.0 [0,1,0,1,0,0|2,0,0]=4 575 B13R2.5179 O=C1C=COC2=CC(=CC=C12)O CNP0338956.0 [0,1,0,1,0,0|1,0,0]=3 576 B13R2.5179 O=C1CCOC2=CC(=CC=C12)Br CNP0247122.0 [0,1,0,1,0,0|2,0,0]=4 577 B13R2.5179 O=C1CCOC2=CC(=CC=C12)O CNP0038707.0 [0,1,0,1,0,0|1,0,0]=3 578 B13R2.5179 OC1=CC=C2C(=CC=CC2=C1)O CNP0265937.0 [0,1,0,1,0,0|2,0,0]=4 579 B13R2.5187 CC1CC(=O)C2=CC=C(C=C12)O CNP0611868.0 [0,1,0,1,0,0|2,0,0]=4 580 B13R2.11634 O=C1OCC2=CC(=C(C=C12)O)O CNP0217673.0 [0,1,0,1,0,0|1,0,0]=3 581 B13R2.2130 COC1=CC=C2C(=O)CCC2=C1 CNP0365392.0 [0,1,0,1,0,0|2,0,0]=4 582 B13R2.6688 COC1=CC(=C2C(=O)CC2=C1)C CNP0058640.0 [0,1,0,1,0,0|2,0,0]=4 583 B13R2.5180 CC1=C(C=CC2=C1OCC2=O)O CNP0042986.0 [0,1,0,1,0,0|1,0,0]=3 584 B13R2.5180 O=C1COC2=C1C=CC(=C2O)O CNP0194185.0 [0,1,0,1,0,0|1,0,0]=3 585 B13R2.11642 CC1=CC(=C2C(=O)COC2=C1)O CNP0043045.0 [0,1,0,1,0,0|1,0,0]=3 586 B13R2.11642 CC1=CC(=CC2=C1C(=O)CO2)O CNP0082490.0 [0,1,0,1,0,0|1,0,0]=3 587 B13R2.11642 C[C@H]1OCC2=CC(=CC(=C12)O)O CNP0532080.1 [0,1,0,1,0,0|1,0,1]=4 588 B13R2.11642 O=C1COC2=CC(=CC(=C12)O)O CNP0258998.0 [0,1,0,1,0,0|0,0,0]=2 589 B13R2.11642 O=C1OCC2=CC(=CC(=C12)O)O CNP0364654.0 [0,1,0,1,0,0|0,0,0]=2 590 B13R2.662 CC1=CC=C2C(=COC2=C1)CO CNP0306512.0 [0,1,0,1,0,0|2,0,0]=4 591 B13R2.662 O=CC1=CNC2=CC(=CC=C12)O CNP0296176.0 [0,1,0,1,0,0|2,0,0]=4 592 B13R2.5190 C=C1C2=CC=C(C=C2O[C@@H]1O)C CNP0216491.1 [0,1,0,1,0,0|2,0,0]=4 593 B13R2.5190 C=C1C2=CC=C(C=C2O[C@H]1O)C CNP0216491.2 [0,1,0,1,0,0|2,0,0]=4 594 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)O CNP0018641.0 [0,1,0,1,0,0|1,0,1]=4 595 B9R0.79 C=C(C(=C)C(=O)O)C(=O)O CNP0156637.0 [0,0,1,0,1,0|2,0,0]=4 596 B9R0.79 O=C(O)C(=C(O)C(=O)O)O CNP0237095.0 [0,0,1,0,1,0|2,0,0]=4 597 B9R0.79 O=C(O)C(=O)C(=C(O)O)O CNP0190522.0 [0,0,1,0,1,0|2,0,0]=4 598 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [1,0,0,0,1,0|2,0,0]=4 599 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [1,0,0,0,1,0|2,0,0]=4 600 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [1,0,0,0,1,0|2,0,0]=4 601 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [1,0,0,0,1,0|2,0,0]=4 602 B9R1.35 O=C(O)C1=CC(=CN1)Br CNP0268142.0 [1,0,0,0,1,0|2,0,0]=4 603 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [1,0,0,0,1,0|1,0,0]=3 604 B9R1.35 O=C(O)C1=CC=C(N1)Br CNP0435630.0 [1,0,0,0,1,0|2,0,0]=4 605 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [1,0,0,0,1,0|1,0,0]=3 606 B9R1.22 CC1=C(OC(=C1)O)C=O CNP0522144.0 [1,0,0,0,1,0|2,0,0]=4 607 B9R1.132 CC1=C(OC=C1O)C=O CNP0517113.0 [1,0,0,0,1,0|2,0,0]=4 608 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [1,0,0,0,1,0|1,0,0]=3 609 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [1,0,0,0,1,0|2,0,0]=4 610 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [1,0,0,0,1,0|2,0,0]=4 611 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [1,0,0,0,1,0|2,0,0]=4 612 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [1,0,0,0,1,0|2,0,0]=4 613 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [1,0,0,0,1,0|2,0,0]=4 614 B9R1.41 O=C(O)C1=CON=C1O CNP0539416.0 [1,0,0,0,1,0|2,0,0]=4 615 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [1,0,0,0,0,1|2,0,0]=4 616 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [1,0,0,0,0,1|2,0,0]=4 617 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [1,0,0,0,0,1|1,0,0]=3 618 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [1,0,0,0,0,1|1,0,1]=4 619 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [1,0,0,0,0,1|2,0,0]=4 620 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [1,0,0,0,0,1|2,0,0]=4 621 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [1,0,0,0,0,1|2,0,0]=4 622 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [1,0,0,0,0,1|2,0,0]=4 623 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [1,0,0,0,0,1|1,0,0]=3 624 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [1,0,0,0,0,1|1,0,0]=3 625 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [1,0,0,0,0,1|2,0,0]=4 626 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [1,0,0,0,0,1|1,0,0]=3 627 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [1,0,0,0,0,1|1,0,0]=3 628 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [1,0,0,0,0,1|1,0,0]=3 629 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [1,0,0,0,0,1|0,0,0]=2 630 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [1,0,0,0,0,1|1,0,0]=3 631 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [1,0,0,0,0,1|0,0,1]=3 632 B11R1.20 O=C1C=CC(C=C1)CC(=O)O CNP0605531.0 [1,0,0,0,0,1|0,0,2]=4 633 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [1,0,0,0,0,1|2,0,0]=4 634 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [1,0,0,0,0,1|2,0,0]=4 635 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [1,0,0,0,0,1|2,0,0]=4 636 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [1,0,0,0,0,1|1,0,0]=3 637 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [1,0,0,0,0,1|2,0,0]=4 638 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [1,0,0,0,0,1|2,0,0]=4 639 B11R1.86 NC(=O)NC1=CC=CC=C1N CNP0330070.0 [1,0,0,0,0,1|2,0,0]=4 640 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [1,0,0,0,0,1|1,0,0]=3 641 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [1,0,0,0,0,1|0,0,0]=2 642 B11R1.86 O=C(O)CC1=COC=CC1=O CNP0138896.0 [1,0,0,0,0,1|1,0,1]=4 643 B11R1.74 CC(=O)C1=CC(=CC(=C1)O)O CNP0352952.0 [0,0,0,0,1,1|1,0,0]=3 644 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)C CNP0469512.0 [0,0,0,0,1,1|2,0,0]=4 645 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)N CNP0441939.0 [0,0,0,0,1,1|2,0,0]=4 646 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O CNP0282728.0 [0,0,0,0,1,1|1,0,0]=3 647 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O CNP0285554.0 [0,0,0,0,1,1|1,0,0]=3 648 B11R1.74 O=C(O)C1=CC(=CC(=C1)O)O CNP0151632.0 [0,0,0,0,1,1|0,0,0]=2 649 B11R1.74 O=C(O)C1=CC(=NC(=N1)O)O CNP0569904.0 [0,0,0,0,1,1|1,0,0]=3 650 B11R1.74 O=C(O)C1=CC(=NC(=N1)O)[O-] CNP0579704.0 [0,0,0,0,1,1|1,0,1]=4 651 B11R1.74 O=C(O)C1=NC(=NC(=N1)O)O CNP0546328.0 [0,0,0,0,1,1|2,0,0]=4 652 B11R1.74 O=[N+]([O-])C1=CC(=CC(=C1)O)O CNP0561927.0 [0,0,0,0,1,1|1,0,1]=4 653 B13R1.164 C=C(C)C#CC1=CC=C(C=C1O)O CNP0414177.0 [0,0,0,0,0,2|2,0,0]=4 654 B13R1.164 CC(=CCC1=CC=C(C=C1O)O)C CNP0130850.0 [0,0,0,0,0,2|2,0,0]=4 655 B13R1.164 CC1=CC(=CC=C1C=CC(=O)O)O CNP0075799.0 [0,0,0,0,0,2|1,0,0]=3 656 B13R1.164 CC1=CC(=CC=C1CCC(=O)O)O CNP0075798.0 [0,0,0,0,0,2|1,0,0]=3 657 B13R1.164 O=C(O)C=CC1=CC=C(C=C1O)O CNP0192872.0 [0,0,0,0,0,2|0,0,0]=2 658 B13R1.164 O=C(O)CCC1=CC=C(C=C1O)O CNP0154079.0 [0,0,0,0,0,2|0,0,0]=2 659 B13R1.164 O=C(O)COC1=CC=C(C=C1Cl)Cl CNP0341289.0 [0,0,0,0,0,2|2,0,0]=4