0 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,0,0,0,0,0|1,0,0]=1 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|2,0,0]=2 5 B11R1.166 CC(=O)C1=CC=C(OC1O)C CNP0457804.0 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.166 CC(=O)C1=CNC(=O)C[C@@H]1C CNP0280551.1 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.166 CC(=O)C1=CNC(=O)C[C@H]1C CNP0280551.2 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.166 CC(=O)C1=CNC(=O)NC1=O CNP0566065.0 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.166 CC(=O)C1=NC=C(N=C1C)C CNP0361229.0 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.166 CC(=O)[C@@H]1CCC(=C[C@H]1C)C CNP0099950.1 [0,0,0,0,0,0|0,0,4]=4 11 B11R1.166 CC1=CC(=CC=C1C(=O)O)O CNP0075319.0 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.166 CC1=CC(=CC=C1C(C)C)O CNP0343687.0 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])N CNP0541671.0 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 CNP0331919.0 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O CNP0491726.0 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [0,0,0,0,0,0|1,0,0]=1 17 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,0,0,0,0,0|1,0,0]=1 18 B11R1.166 CC1=CC=C(C(=C1)C)C(C)C CNP0278893.0 [0,0,0,0,0,0|1,0,1]=2 19 B11R1.166 CC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0575477.0 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.166 CC1=CC=C(C(=C1)O)C(C)C CNP0135128.0 [0,0,0,0,0,0|2,0,1]=3 22 B11R1.166 CC1=C[N+](=CC=C1[N+](=O)[O-])[O-] CNP0487366.0 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.166 CC1=NC(=NC=C1C(=O)O)N CNP0397736.0 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl CNP0526880.0 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.166 NC(=O)C1=CC=C(C=C1O)O CNP0268339.0 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.166 NC1=CC(=CC=C1[N+](=O)[O-])Cl CNP0590572.0 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.166 NC1=CC=C(C(=C1)N)C(=O)O CNP0400011.0 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)O CNP0313106.0 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.166 O=C(Cl)C1=CC=C(C=C1O)O CNP0210532.0 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.166 O=C(O)C1=CC=C(C=C1Cl)Cl CNP0175601.0 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.166 O=C(O)C1=CC=C(C=C1O)O CNP0285956.0 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Cl CNP0609125.0 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1O)O CNP0564391.0 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.13 C=C(C)C1=CC=C(CC1)C CNP0154651.0 [1,0,0,0,0,0|1,0,2]=4 36 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.13 C=C(C)C1=CCC(=CC1)C CNP0603428.0 [1,0,0,0,0,0|1,0,2]=4 38 B10R1.13 C=C(C)[C@@H]1C=CC(=CC1)C CNP0119020.1 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,0,0,0,0,0|0,0,0]=1 41 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,0,0,0,0,0|1,0,0]=2 42 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,0,0,0,0,0|1,0,0]=2 43 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [1,0,0,0,0,0|0,0,2]=3 46 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [1,0,0,0,0,0|1,0,0]=2 52 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [1,0,0,0,0,0|1,0,1]=3 56 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [1,0,0,0,0,0|0,0,2]=3 57 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [1,0,0,0,0,0|0,0,2]=3 58 B10R1.13 CC1=CC=C(C=N1)[C@H](C)N CNP0243226.1 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [1,0,0,0,0,0|1,0,2]=4 61 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [1,0,0,0,0,0|1,0,2]=4 62 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [1,0,0,0,0,0|0,0,1]=2 83 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.25 C=CC1=NC=C(N=C1C)C CNP0178869.0 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.25 CC1=CC(=C(C=N1)C#N)C CNP0069171.0 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.25 CC1=CC(=CC=C1N=O)N CNP0033954.0 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.25 CC1=CC(=O)C=CC1=NO CNP0220999.0 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.25 CC1=CC=C(C(=C1)C)C#N CNP0033930.0 [1,0,0,0,0,0|1,0,1]=3 89 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [1,0,0,0,0,0|0,0,0]=1 90 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [1,0,0,0,0,0|1,0,1]=3 91 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [1,0,0,0,0,0|0,0,2]=3 92 B10R1.25 CC1=CC=C(C(=C1)Cl)C#N CNP0353020.0 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [1,0,0,0,0,0|1,0,0]=2 94 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [1,0,0,0,0,0|0,0,1]=2 95 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [1,0,0,0,0,0|1,0,1]=3 96 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [1,0,0,0,0,0|1,0,0]=2 100 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.25 COC1=CC=[N+](C=C1C)[O-] CNP0606691.0 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.25 COC1=NC=C(N=C1C)C CNP0234083.0 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,0,0,0,0,0|1,0,0]=2 110 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,0,0,0,0,0|0,0,0]=1 111 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,0,0,0,0,0|1,0,0]=2 112 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,0,0,0,0,0|1,0,0]=2 113 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [1,0,0,0,0,0|1,0,0]=2 114 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [1,0,0,0,0,0|1,0,0]=2 115 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [1,0,0,0,0,0|1,0,0]=2 116 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [1,0,0,0,0,0|1,1,1]=4 119 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [1,0,0,0,0,0|1,0,0]=2 120 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [1,0,0,0,0,0|1,0,0]=2 121 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [1,0,0,0,0,0|1,0,1]=3 122 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.61 CN1CC=CC=C1C(=O)O CNP0610846.0 [1,0,0,0,0,0|2,0,1]=4 127 B10R1.61 CN1[CH]C=CC=C1C(=O)O CNP0498568.0 [1,0,0,0,0,0|2,0,1]=4 128 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.61 NC(=O)C1=CNC=CC1=O CNP0612033.0 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [1,0,0,0,0,0|2,0,0]=3 140 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [1,0,0,0,0,0|2,0,0]=3 141 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [1,0,0,0,0,0|2,0,0]=3 150 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [1,0,0,0,0,0|2,0,0]=3 151 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [1,0,0,0,0,0|3,0,0]=4 153 B12R1.57 C=C(C)C1=CC=C(C=C1OC)C CNP0333087.0 [0,1,0,0,0,0|1,0,0]=2 154 B12R1.57 COC1=CC(=CC=C1C(=O)C)C CNP0305290.0 [0,1,0,0,0,0|0,0,0]=1 155 B12R1.57 COC1=CC(=CC=C1C(=O)C)O CNP0146399.0 [0,1,0,0,0,0|1,0,0]=2 156 B12R1.57 COC1=CC(=CC=C1C(=O)O)O CNP0174648.0 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.57 COC1=CC(=CC=C1C(C)C)C CNP0280563.0 [0,1,0,0,0,0|1,0,1]=3 158 B12R1.57 COC1=CC(=CC=C1[N+](=O)[O-])N CNP0537552.0 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.126 CC1=CC=C(C(=C1)O)C(C)(C)C CNP0173144.0 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.126 CC1=CC=C(C(=C1)O)C(C)(C)O CNP0116220.0 [0,1,0,0,0,0|1,0,2]=4 161 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C CNP0579678.0 [0,1,0,0,0,0|1,0,0]=2 162 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O CNP0136455.0 [0,1,0,0,0,0|1,0,0]=2 163 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)C CNP0284124.0 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O CNP0243066.0 [0,1,0,0,0,0|2,0,0]=3 165 B12R1.232 CC1=CC(=C(C=C1Br)C)C(=O)O CNP0462913.0 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C CNP0171746.0 [0,1,0,0,0,0|1,0,0]=2 167 B12R1.232 CC1=CC(=C(C=C1C)C(C)C)C CNP0164128.0 [0,1,0,0,0,0|1,0,1]=3 168 B12R1.232 CC1=CC(=C(C=C1I)C)[N+](=O)[O-] CNP0535300.0 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.232 CC1=CC(=C(C=C1O)C(C)C)O CNP0224526.0 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.232 CC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl CNP0536553.0 [0,1,0,0,0,0|3,0,0]=4 171 B12R1.232 CC1=CC(=C(C=C1[N+](=O)[O-])O)O CNP0541795.0 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C CNP0158912.0 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.232 CC1=NC(=C(N=C1C)C(=O)O)C CNP0225185.0 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.232 NC1=CC(=C(C=C1C(=O)O)O)O CNP0323910.0 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O CNP0129962.0 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.452 CC(=O)C1=CC=C(C=C1O)CO CNP0111501.0 [0,1,0,0,0,0|1,0,0]=2 177 B12R1.452 CC(C)C1=CC=C(C=C1O)CO CNP0290057.0 [0,1,0,0,0,0|2,0,1]=4 178 B12R1.452 COC1=CC=C(C(=C1)C)C(=O)O CNP0457363.0 [0,1,0,0,0,0|1,0,0]=2 179 B12R1.452 COC1=CC=C(C(=C1)C)[N+](=O)[O-] CNP0580280.0 [0,1,0,0,0,0|2,0,0]=3 180 B12R1.452 COC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0479154.0 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)C CNP0324617.0 [0,1,0,0,0,0|1,0,0]=2 182 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CNP0206095.0 [0,1,0,0,0,0|2,0,0]=3 183 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)O CNP0102420.0 [0,1,0,0,0,0|2,0,0]=3 184 B12R1.893 CC(=O)C1=CC=C(C(=C1C)C)C CNP0584174.0 [0,1,0,0,0,0|0,0,0]=1 185 B12R1.893 CC(=O)C1=CC=C(C(=C1O)C)O CNP0289312.0 [0,1,0,0,0,0|2,0,0]=3 186 B12R1.893 CC(=O)C1=CC=C(C(=C1O)O)O CNP0213966.0 [0,1,0,0,0,0|2,0,0]=3 187 B12R1.893 CC1=C(C=CC(=C1O)O)C(=O)O CNP0481433.0 [0,1,0,0,0,0|2,0,0]=3 188 B12R1.893 CC1=CC=C(C(=C1C)C)C(=O)O CNP0133340.0 [0,1,0,0,0,0|1,0,0]=2 189 B12R1.893 CC1=CC=C(C(=C1O)C)C(C)C CNP0526701.0 [0,1,0,0,0,0|1,0,1]=3 190 B12R1.893 CC1=CC=C(C(=C1O)N)C(=O)O CNP0239974.0 [0,1,0,0,0,0|2,0,0]=3 191 B12R1.893 CC1=CC=C(C(=C1O)O)C(C)C CNP0298407.0 [0,1,0,0,0,0|2,0,1]=4 192 B12R1.893 NC1=C(C=CC(=C1O)Cl)C(=O)O CNP0571729.0 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.893 O=C(O)C1=CC=C(C(=C1O)O)O CNP0165116.0 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.1000 CC(=N)C1=C(C=C(OC1=O)C)O CNP0074250.0 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)O CNP0488335.0 [0,1,0,0,0,0|1,0,0]=2 196 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)C CNP0142841.0 [0,1,0,0,0,0|1,0,0]=2 197 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O CNP0255105.0 [0,1,0,0,0,0|2,0,0]=3 198 B12R1.1000 CC(=O)C1=C(C=C(OC1=O)C)O CNP0309619.0 [0,1,0,0,0,0|2,0,0]=3 199 B12R1.1000 CC(=O)C1=C(N[C@@H](CC1=O)C)C CNP0321098.1 [0,1,0,0,0,0|1,0,2]=4 200 B12R1.1000 CC(=O)C1=C(N[C@H](CC1=O)C)C CNP0321098.2 [0,1,0,0,0,0|1,0,2]=4 201 B12R1.1000 CC(=O)C1=C(OC(=CC1=O)C)O CNP0290556.0 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.1000 CC(=O)C1=C(OC(=CC1=O)C)[O-] CNP0531327.0 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.1000 CC(=O)C1=C(S[C@H](CC1=O)C)C CNP0303365.1 [0,1,0,0,0,0|1,0,2]=4 204 B12R1.1000 CC(=O)[C@@H]1C(=O)C=C(OC1=O)C CNP0129464.2 [0,1,0,0,0,0|2,0,1]=4 205 B12R1.1000 CC(=O)[C@H]1C(=O)C=C(OC1=O)C CNP0129464.1 [0,1,0,0,0,0|2,0,1]=4 206 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)Cl)C CNP0037744.0 [0,1,0,0,0,0|1,0,0]=2 207 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)O)C CNP0444261.0 [0,1,0,0,0,0|1,0,0]=2 208 B12R1.1000 CC1=CC(=C(C(=C1)C)C(C)O)C CNP0230604.0 [0,1,0,0,0,0|0,0,2]=3 209 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O CNP0244321.0 [0,1,0,0,0,0|2,0,0]=3 210 B12R1.1000 CC1=CC(=C(C(=N1)C)C(=O)O)C CNP0551550.0 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.1000 CC1=CC(=C(C(=N1)N)C(=O)O)C CNP0236536.0 [0,1,0,0,0,0|2,0,0]=3 212 B12R1.1000 CC1=CC(=CC(=C1C(=O)O)O)O CNP0194999.0 [0,1,0,0,0,0|2,0,0]=3 213 B12R1.1000 CC1=CC(=O)C(=C(C)N)C(=O)O1 CNP0353528.0 [0,1,0,0,0,0|3,0,0]=4 214 B12R1.1000 CC1=CC(=O)OC(=C1C(=O)O)C CNP0133346.0 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.1000 O=C(O)C1=C(C=C(C=C1O)O)O CNP0288966.0 [0,1,0,0,0,0|3,0,0]=4 216 B12R1.1703 C=C(CO)C1=CC=C(C=C1O)C CNP0106917.0 [0,1,0,0,0,0|2,0,0]=3 217 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)C CNP0366379.0 [0,1,0,0,0,0|1,0,1]=3 218 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)O CNP0203065.0 [0,1,0,0,0,0|2,0,1]=4 219 B12R1.1703 CC1=CC=C(C(=C1)O)[C@H](C)CO CNP0160693.1 [0,1,0,0,0,0|1,0,2]=4 220 B12R1.1703 CCC(=O)C1=CC=C(C=C1C)C CNP0099963.0 [0,1,0,0,0,0|0,0,0]=1 221 B12R1.1703 COC(=O)C1=CC=C(C=C1C)O CNP0298795.0 [0,1,0,0,0,0|1,0,0]=2 222 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Cl CNP0168201.0 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.1703 COC(=O)C1=CC=C(C=C1O)N CNP0026548.0 [0,1,0,0,0,0|2,0,0]=3 224 B12R1.1703 COC(=O)C1=CC=C(C=C1O)O CNP0316033.0 [0,1,0,0,0,0|2,0,0]=3 225 B12R1.1703 NNC(=O)C1=CC=C(C=C1Cl)Cl CNP0071041.0 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.1703 O=C(CCl)C1=CC=C(C=C1O)O CNP0037880.0 [0,1,0,0,0,0|2,0,0]=3 227 B10R0.3 CC(=CC=CC(=CC=O)C)C CNP0319558.0 [0,0,1,0,0,0|2,0,0]=3 228 B10R0.3 CC(=CC=CC(=CCO)C)C CNP0278603.0 [0,0,1,0,0,0|2,0,1]=4 229 B10R0.44 C=CC(=CC(=O)C=C(C)C)C CNP0174615.0 [0,0,1,0,0,0|2,0,0]=3 230 B10R0.44 C=CC(=CC(O)C=C(C)C)C CNP0546844.0 [0,0,1,0,0,0|2,0,1]=4 231 B10R0.101 C=CC=C(C)C(=C(C)C)C=O CNP0530284.0 [0,0,1,0,0,0|2,0,1]=4 232 B12R2.612 CC1=CC2=NNC(=C2C=C1)C CNP0075999.0 [0,0,0,1,0,0|2,0,0]=3 233 B12R2.612 CC1=CC=C2C(=C1)OC[C@H]2C CNP0185437.1 [0,0,0,1,0,0|2,0,1]=4 234 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,0,0,1,0,0|0,0,0]=1 235 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 CNP0525702.0 [0,0,0,1,0,0|1,0,0]=2 236 B12R2.612 C[C@H]1CCC2=CC(=CC=C12)O CNP0200024.1 [0,0,0,1,0,0|2,0,1]=4 237 B12R2.612 O=C1CCC2=CC(=CC=C12)O CNP0499088.0 [0,0,0,1,0,0|1,0,0]=2 238 B12R2.612 O=C1COC2=CC(=CC=C12)O CNP0333641.0 [0,0,0,1,0,0|2,0,0]=3 239 B12R2.612 O=C1NOC2=CC(=CC=C12)O CNP0499269.0 [0,0,0,1,0,0|3,0,0]=4 240 B12R2.3028 CC1=CC(=C2C(=C1)C[C@@H]2Cl)C CNP0059933.2 [0,0,0,1,0,0|1,0,1]=3 241 B12R2.3028 CC1=CC(=C2C(=C1)C[C@H]2Cl)C CNP0059933.1 [0,0,0,1,0,0|1,0,1]=3 242 B12R2.3028 CC1=CC(=C2C(=O)CC2=C1)C CNP0342183.0 [0,0,0,1,0,0|0,0,0]=1 243 B10R1.59 CC(=O)C1=C(N=C(O1)C)C CNP0224102.0 [0,0,0,0,1,0|2,0,0]=3 244 B10R1.59 CC(=O)C1=C(N=C(S1)C)C CNP0002407.0 [0,0,0,0,1,0|2,0,0]=3 245 B10R1.59 CC(=O)C1=C(OC(=C1)C)C CNP0003652.0 [0,0,0,0,1,0|1,0,0]=2 246 B10R1.59 CC(=O)C1=C(SC(=C1)C)C CNP0002469.0 [0,0,0,0,1,0|1,0,0]=2 247 B10R1.59 CC(=O)N1N=C(C=C1C)C CNP0131376.0 [0,0,0,0,1,0|2,0,0]=3 248 B10R1.59 CC1=C(OC(=C1)O)C(=O)O CNP0509473.0 [0,0,0,0,1,0|3,0,0]=4 249 B10R1.59 CC1=NN(C(=C1)C)C(=O)N CNP0595447.0 [0,0,0,0,1,0|3,0,0]=4 250 B10R1.59 CN1C=C(C=C1C(=O)N)Br CNP0123023.0 [0,0,0,0,1,0|3,0,0]=4 251 B10R1.59 CN1C=C(C=C1C(=O)O)Br CNP0127452.0 [0,0,0,0,1,0|3,0,0]=4 252 B10R1.59 CN1C=[N+](C=C1C(=O)O)C CNP0549952.0 [0,0,0,0,1,0|3,0,0]=4 253 B10R1.59 CN1C=[N+](C=C1C(=O)[O-])C CNP0480508.0 [0,0,0,0,1,0|3,0,0]=4 254 B10R1.194 CC1=C(C(=CO1)C(=O)O)O CNP0507263.0 [0,0,0,0,1,0|3,0,0]=4 255 B10R1.194 CC1=C(NC=C1Br)C(=O)N CNP0121893.0 [0,0,0,0,1,0|3,0,0]=4 256 B12R1.233 CC(=O)C[N+]1=CC=C(C=C1N)C CNP0582914.0 [0,0,0,0,0,1|2,0,0]=3 257 B12R1.233 CC(=O)NC1=CC=C(C=C1C)C CNP0024058.0 [0,0,0,0,0,1|0,0,0]=1 258 B12R1.233 CC(=O)NC1=CC=C(C=C1C)Cl CNP0052006.0 [0,0,0,0,0,1|1,0,0]=2 259 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Br CNP0055151.0 [0,0,0,0,0,1|2,0,0]=3 260 B12R1.233 CC(=O)NC1=CC=C(C=C1O)C CNP0038952.0 [0,0,0,0,0,1|1,0,0]=2 261 B12R1.233 CC(=O)NC1=CC=C(C=C1O)Cl CNP0039766.0 [0,0,0,0,0,1|2,0,0]=3 262 B12R1.233 CC(=O)OC1=CC=C(C=C1Br)Br CNP0200680.0 [0,0,0,0,0,1|2,0,0]=3 263 B12R1.233 CC(=O)OC1=CC=C(C=C1C)O CNP0077014.0 [0,0,0,0,0,1|1,0,0]=2 264 B12R1.233 O=C(O)CC1=CC=C(C=C1O)O CNP0153620.0 [0,0,0,0,0,1|3,0,0]=4 265 B9R0.1 C=CC(=CC=CC(=C)C)C CNP0243185.0 [1,0,1,0,0,0|1,0,0]=3 266 B9R0.1 C=CC(=CC=CC(C)C)C CNP0086413.0 [1,0,1,0,0,0|1,0,1]=4 267 B9R0.1 C=CC(=CCC=C(C)C)C CNP0295010.0 [1,0,1,0,0,0|1,0,1]=4 268 B9R0.1 C=C[C@@H](C)/C=C\C=C(C)C CNP0312376.1 [1,0,1,0,0,0|1,0,1]=4 269 B9R0.1 CC(=O)C=CC=C(C)CO CNP0040353.0 [1,0,1,0,0,0|1,0,1]=4 270 B9R0.1 CC=C(C)C=CC=C(C)C CNP0248120.0 [1,0,1,0,0,0|1,0,0]=3 271 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [1,0,1,0,0,0|1,0,0]=3 272 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [1,0,1,0,0,0|0,0,2]=4 273 B9R0.7 C=C(C)C=CC(C)C(=C)C CNP0224725.0 [1,0,1,0,0,0|1,0,1]=4 274 B9R0.53 C=C(C)C=C(C)CC(=C)C CNP0509803.0 [1,0,1,0,0,0|1,0,1]=4 275 B9R0.53 CC(=O)C=C(C)OC(=O)C CNP0367502.0 [1,0,1,0,0,0|2,0,0]=4 276 B9R0.34 CC=CC(=CC(=CC)C)C CNP0404267.0 [1,0,1,0,0,0|0,0,1]=3 277 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [2,0,0,0,0,0|0,0,1]=3 278 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [2,0,0,0,0,0|1,0,1]=4 279 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [2,0,0,0,0,0|1,0,1]=4 280 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [2,0,0,0,0,0|0,0,0]=2 281 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [2,0,0,0,0,0|0,0,2]=4 282 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [2,0,0,0,0,0|1,0,0]=3 283 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [2,0,0,0,0,0|1,0,0]=3 284 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [2,0,0,0,0,0|1,0,1]=4 285 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [2,0,0,0,0,0|0,0,1]=3 286 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [2,0,0,0,0,0|1,0,1]=4 287 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [2,0,0,0,0,0|1,0,1]=4 288 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [2,0,0,0,0,0|1,0,1]=4 289 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [2,0,0,0,0,0|1,0,1]=4 290 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [2,0,0,0,0,0|1,0,0]=3 292 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [2,0,0,0,0,0|1,0,0]=3 295 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [2,0,0,0,0,0|1,0,0]=3 296 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [2,0,0,0,0,0|1,0,0]=3 298 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [2,0,0,0,0,0|0,0,0]=2 300 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [2,0,0,0,0,0|1,0,0]=3 301 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [2,0,0,0,0,0|1,0,0]=3 302 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [2,0,0,0,0,0|1,0,0]=3 303 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [2,0,0,0,0,0|1,0,1]=4 305 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [2,0,0,0,0,0|1,0,1]=4 307 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [2,0,0,0,0,0|0,0,2]=4 308 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [2,0,0,0,0,0|1,0,1]=4 309 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [2,0,0,0,0,0|0,0,2]=4 310 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [2,0,0,0,0,0|1,0,1]=4 311 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [2,0,0,0,0,0|1,0,0]=3 313 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [2,0,0,0,0,0|2,0,0]=4 317 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [2,0,0,0,0,0|1,0,0]=3 320 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [2,0,0,0,0,0|1,0,0]=3 324 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [2,0,0,0,0,0|1,0,0]=3 325 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [2,0,0,0,0,0|1,0,0]=3 326 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [2,0,0,0,0,0|1,0,0]=3 327 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [2,0,0,0,0,0|2,0,0]=4 331 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [2,0,0,0,0,0|2,0,0]=4 333 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [2,0,0,0,0,0|0,0,1]=3 335 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [2,0,0,0,0,0|1,0,1]=4 336 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [2,0,0,0,0,0|1,0,1]=4 337 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [2,0,0,0,0,0|0,0,0]=2 338 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [2,0,0,0,0,0|1,0,1]=4 339 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [2,0,0,0,0,0|0,0,2]=4 340 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [2,0,0,0,0,0|1,0,0]=3 341 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [2,0,0,0,0,0|1,0,1]=4 343 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [2,0,0,0,0,0|0,0,1]=3 344 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [2,0,0,0,0,0|1,0,1]=4 345 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [2,0,0,0,0,0|1,0,1]=4 346 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [2,0,0,0,0,0|1,0,1]=4 347 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [2,0,0,0,0,0|1,0,1]=4 348 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [2,0,0,0,0,0|1,0,1]=4 349 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [2,0,0,0,0,0|1,0,0]=3 350 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [2,0,0,0,0,0|1,0,0]=3 354 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [2,0,0,0,0,0|1,0,0]=3 355 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [2,0,0,0,0,0|1,0,0]=3 356 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [2,0,0,0,0,0|1,0,1]=4 357 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [2,0,0,0,0,0|1,0,0]=3 358 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [2,0,0,0,0,0|2,0,0]=4 359 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [2,0,0,0,0,0|2,0,0]=4 364 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [2,0,0,0,0,0|1,0,1]=4 367 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [2,0,0,0,0,0|1,0,0]=3 368 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [2,0,0,0,0,0|1,0,0]=3 371 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [2,0,0,0,0,0|0,0,0]=2 372 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [2,0,0,0,0,0|1,0,0]=3 373 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [2,0,0,0,0,0|1,0,0]=3 374 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [2,0,0,0,0,0|0,0,1]=3 375 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [2,0,0,0,0,0|1,0,0]=3 376 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [2,0,0,0,0,0|1,0,1]=4 379 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [2,0,0,0,0,0|1,0,0]=3 381 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [2,0,0,0,0,0|1,0,1]=4 384 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [2,0,0,0,0,0|1,1,0]=4 385 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [2,0,0,0,0,0|1,0,0]=3 386 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [2,0,0,0,0,0|1,0,1]=4 387 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [2,0,0,0,0,0|1,0,0]=3 388 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [2,0,0,0,0,0|1,0,1]=4 389 B9R1.69 CC1=CC=C(C=C1Br)Cl CNP0186814.0 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [2,0,0,0,0,0|1,0,0]=3 391 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [2,0,0,0,0,0|1,0,0]=3 392 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [2,0,0,0,0,0|1,0,0]=3 393 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [2,0,0,0,0,0|1,0,0]=3 394 B9R1.69 CC1=CC=C(C=C1Cl)N CNP0028854.0 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.69 CC1=CC=C(C=C1N)N CNP0023048.0 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [2,0,0,0,0,0|1,0,0]=3 398 B9R1.69 CC1=CN=C(C(=N1)C)C CNP0313440.0 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [2,0,0,0,0,0|2,0,0]=4 401 B11R0.6 CC(=CC=CC(=CC(=O)O)C)C CNP0286255.0 [0,1,1,0,0,0|2,0,0]=4 402 B11R0.174 CC(=CC=CC(=CC=O)C)C=O CNP0344169.0 [0,1,1,0,0,0|1,0,0]=3 403 B11R1.3 C=C(C)C1=CC=C(C=C1)C=O CNP0243600.0 [1,1,0,0,0,0|1,0,1]=4 404 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O CNP0513206.0 [1,1,0,0,0,0|1,0,1]=4 405 B11R1.3 CC(C)C1=CC=C(C=C1)CO CNP0157328.0 [1,1,0,0,0,0|1,0,1]=4 406 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [1,1,0,0,0,0|0,0,0]=2 407 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [1,1,0,0,0,0|1,0,0]=3 408 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [1,1,0,0,0,0|1,0,0]=3 409 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [1,1,0,0,0,0|0,0,2]=4 410 B11R1.3 CCC1=CN=C(C=N1)C(=O)C CNP0280983.0 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.3 CNC1=CC=C(C=C1)C(=O)N CNP0151690.0 [1,1,0,0,0,0|1,0,0]=3 412 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [1,1,0,0,0,0|1,0,0]=3 413 B11R1.3 CNC1=CC=C(C=C1)N(C)C CNP0587499.0 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [1,1,0,0,0,0|0,0,0]=2 415 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [1,1,0,0,0,0|1,0,0]=3 416 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [1,1,0,0,0,0|1,0,0]=3 417 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [1,1,0,0,0,0|1,0,1]=4 419 B11R1.3 COC1=CC=C(C=C1)S(=O)=O CNP0546840.0 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [1,1,0,0,0,0|0,0,2]=4 421 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [1,1,0,0,0,0|0,0,2]=4 422 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] CNP0529321.0 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.3 COC1=CC=C(C=N1)C(=O)O CNP0193366.0 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.3 COC1=CN=C(C=N1)C(=O)C CNP0256640.0 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [1,1,0,0,0,0|0,0,2]=4 426 B11R1.3 N=C(N)C1=CC=C(C=C1)CO CNP0538399.0 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.3 NC(=O)C1=CC=C(C=C1)C=O CNP0575281.0 [1,1,0,0,0,0|1,0,1]=4 428 B11R1.3 NNC1=CC=C(C=C1)C(=O)O CNP0496695.0 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr CNP0050291.0 [1,1,0,0,0,0|1,0,0]=3 430 B11R1.3 O=C(O)C1=CC=C(C=C1)CO CNP0163373.0 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.3 O=C(O)C1=CC=C(C=C1)[Hg]O CNP0547098.0 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O CNP0158402.0 [1,1,0,0,0,0|1,0,1]=4 433 B11R1.3 O=NC1=CC=C(C=C1)C(=O)O CNP0442117.0 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [1,1,0,0,0,0|1,0,0]=3 435 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O CNP0300826.0 [1,1,0,0,0,0|0,0,2]=4 436 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)N CNP0170715.0 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O CNP0341593.0 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [1,1,0,0,0,0|1,0,0]=3 439 B11R1.21 C=C(C)C1=CC=C(C(=O)C1)C CNP0377811.0 [1,1,0,0,0,0|1,0,1]=4 440 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [1,1,0,0,0,0|0,0,0]=2 441 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [1,1,0,0,0,0|0,0,0]=2 443 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [1,1,0,0,0,0|1,0,0]=3 444 B11R1.21 CC(=O)C1=CC=C(C(=O)O1)C CNP0144436.0 [1,1,0,0,0,0|1,0,0]=3 445 B11R1.21 CC1=CC(=CC=C1O)C(=O)O CNP0305353.0 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.21 CC1=CC=C(C=C1C)C(=O)N CNP0387935.0 [1,1,0,0,0,0|1,0,0]=3 447 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [1,1,0,0,0,0|1,0,0]=3 448 B11R1.21 CC1=CC=C(C=C1C)C(C)C CNP0226831.0 [1,1,0,0,0,0|1,0,1]=4 449 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [1,1,0,0,0,0|0,0,2]=4 450 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [1,1,0,0,0,0|1,0,0]=3 451 B11R1.21 CC1=CC=C(C=C1O)C(C)C CNP0210919.0 [1,1,0,0,0,0|1,0,1]=4 452 B11R1.21 NC(=O)C1=CC=C(C(=C1)N)O CNP0336966.0 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.21 NC(=O)C1=CC=C(C(=C1)O)O CNP0582162.0 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.21 NC1=CC(=CC=C1O)C(=O)O CNP0343618.0 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.21 NC1=CC=C(C=C1N)C(=O)O CNP0515616.0 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.21 NC1=CC=C(C=C1O)C(=O)O CNP0018090.0 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.21 O=C(O)C1=CC=C(C(=C1)Br)O CNP0414254.0 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.21 O=C(O)C1=CC=C(C(=C1)Cl)O CNP0131355.0 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)O CNP0348948.0 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.22 CC1=CC=C(C=C1)C(=NO)N CNP0330819.0 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [1,1,0,0,0,0|1,0,0]=3 462 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [1,1,0,0,0,0|0,0,1]=3 463 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [1,1,0,0,0,0|0,0,2]=4 464 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [1,1,0,0,0,0|1,0,0]=3 465 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [1,1,0,0,0,0|1,0,0]=3 466 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [1,1,0,0,0,0|0,0,0]=2 468 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [1,1,0,0,0,0|0,0,0]=2 469 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [1,1,0,0,0,0|1,0,0]=3 471 B11R1.22 COC(=O)C1=COC(=O)C=C1 CNP0038303.0 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.22 NNC(=O)C1=CC=C(C=C1)Cl CNP0071039.0 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.22 NNC(=O)C1=CC=C(C=C1)O CNP0382573.0 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [1,1,0,0,0,0|1,0,0]=3 476 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br CNP0218698.0 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [1,1,0,0,0,0|1,0,1]=4 478 B11R1.727 CC(=C1C=CC(C=C1)(C)O)C CNP0111511.0 [1,1,0,0,0,0|1,0,1]=4 479 B11R1.37 C=CC1=CC=C(C=C1OC)O CNP0611852.0 [1,1,0,0,0,0|1,0,1]=4 480 B11R1.37 CCC1=CC=C(C=C1CC)C CNP0183897.0 [1,1,0,0,0,0|0,0,1]=3 481 B11R1.37 CCC1=CC=C(C=C1CC)O CNP0155765.0 [1,1,0,0,0,0|1,0,1]=4 482 B11R1.37 CCC1=CC=C(C=C1CO)C CNP0299444.0 [1,1,0,0,0,0|0,0,1]=3 483 B11R1.37 COC1=CC(=CC=C1C=O)O CNP0328475.0 [1,1,0,0,0,0|1,0,0]=3 484 B11R1.37 COC1=CC=C(C=C1OC)C CNP0142648.0 [1,1,0,0,0,0|1,0,0]=3 485 B11R1.37 COC1=CC=C(C=C1OC)I CNP0034495.0 [1,1,0,0,0,0|2,0,0]=4 486 B11R1.37 COC1=CC=C(C=C1OC)O CNP0220201.0 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.81 CC1=CC(=CC=C1NC=O)Cl CNP0105293.0 [1,1,0,0,0,0|1,0,0]=3 488 B11R1.81 CC=CC1=CC=C(C=C1O)O CNP0287059.0 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.81 CC=CC1=NC=C(N=C1C)C CNP0185639.0 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [1,1,0,0,0,0|0,0,1]=3 491 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [1,1,0,0,0,0|1,0,1]=4 492 B11R1.277 CC1=CC(=C(C=C1C)C=O)C CNP0085942.0 [1,1,0,0,0,0|0,0,0]=2 493 B11R1.277 CC1=CC(=C(C=C1C)CO)C CNP0612014.0 [1,1,0,0,0,0|0,0,2]=4 494 B11R1.277 CC1=CC(=C(C=C1O)C)N=O CNP0314907.0 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.277 CCC1=CC(=C(C=C1C)C)C CNP0561211.0 [1,1,0,0,0,0|0,0,1]=3 496 B11R1.277 CCC1=CC(=C(C=C1O)C)C CNP0088843.0 [1,1,0,0,0,0|1,0,1]=4 497 B11R1.277 CCC1=CC(=O)C(=CC1=O)C CNP0227006.0 [1,1,0,0,0,0|1,0,1]=4 498 B11R1.277 COC1=CC(=C(C=C1C)Br)C CNP0408849.0 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.277 COC1=CC(=C(C=C1C)C)C CNP0537102.0 [1,1,0,0,0,0|1,0,0]=3 500 B11R1.277 COC1=CC(=C(C=C1O)C)O CNP0167756.0 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.277 COC1=CC(=O)C(=CC1=O)C CNP0269462.0 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.277 O=CC1=CC(=C(C=C1Br)O)O CNP0158213.0 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.277 O=CC1=CC(=C(C=C1O)O)O CNP0294137.0 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.278 CC1=C(C=CC(=C1O)O)C=O CNP0202109.0 [1,1,0,0,0,0|1,0,0]=3 505 B11R1.278 CC1=CC=C(C(=C1C)C)C=O CNP0307883.0 [1,1,0,0,0,0|0,0,0]=2 506 B11R1.278 CCC1=CC=C(C(=C1O)C)C CNP0328437.0 [1,1,0,0,0,0|1,0,1]=4 507 B11R1.278 COC1=CC=C(C(=C1C)C)Br CNP0059488.0 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.278 COC1=CC=C(C(=O)C1=O)C CNP0534932.0 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.278 O=CC1=CC=C(C(=C1O)O)O CNP0080275.0 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.279 CC1=CC(=CC=C1C=O)C=O CNP0301871.0 [1,1,0,0,0,0|0,0,1]=3 511 B11R1.279 CC1=CC(=CC=C1N=O)N=O CNP0373828.0 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.279 CCC1=CC=C(C(=C1)C)CC CNP0174684.0 [1,1,0,0,0,0|0,0,1]=3 513 B11R1.279 CCC1=CC=C(C(=C1)O)OC CNP0241141.0 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.279 COC1=CC=C(C(=C1)Br)OC CNP0224499.0 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.279 COC1=CC=C(C(=C1)C)OC CNP0235109.0 [1,1,0,0,0,0|1,0,0]=3 516 B11R1.279 COC1=CC=C(C(=C1)Cl)OC CNP0294313.0 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.279 COC1=CC=C(C(=C1)N)OC CNP0151673.0 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.279 COC1=CC=C(C(=C1)O)C=O CNP0298651.0 [1,1,0,0,0,0|1,0,0]=3 519 B11R1.279 COC1=CC=C(C(=C1)O)OC CNP0373176.0 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.279 COC1=CC=C(C=C1Br)CO CNP0163543.0 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.279 COC1=CC=C(C=C1C)C=O CNP0009035.0 [1,1,0,0,0,0|1,0,1]=4 522 B11R1.279 COC1=CC=C(C=C1Cl)CO CNP0187706.0 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.279 COC1=CC=C(C=C1O)CN CNP0009082.0 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.464 CC1=CC(=C(C(=C1)C)C=O)C CNP0234902.0 [1,1,0,0,0,0|0,0,0]=2 526 B11R1.464 CC1=CC(=C(C(=C1)C)N=O)C CNP0216799.0 [1,1,0,0,0,0|1,0,0]=3 527 B11R1.464 CC1=CC(=C(C(=C1)Cl)C=O)Cl CNP0026222.0 [1,1,0,0,0,0|1,0,0]=3 528 B11R1.464 CC1=CC(=C(C(=C1)O)C=O)O CNP0218508.0 [1,1,0,0,0,0|1,0,0]=3 529 B11R1.464 CC1=CC(=CC(=C1C=O)O)O CNP0115622.0 [1,1,0,0,0,0|1,0,0]=3 530 B11R1.464 CCC1=C(C=C(C=C1C)C)C CNP0246344.0 [1,1,0,0,0,0|0,0,1]=3 531 B11R1.464 CCC1=C(C=C(C=C1C)O)C CNP0365832.0 [1,1,0,0,0,0|1,0,1]=4 532 B11R1.464 CCC1=C(C=C(C=C1Cl)C)C CNP0233565.0 [1,1,0,0,0,0|0,0,1]=3 533 B11R1.464 COC1=C(C=C(C=C1C)C)C CNP0565570.0 [1,1,0,0,0,0|1,0,0]=3 534 B11R1.464 O=CC1=C(C=C(C=C1O)O)O CNP0198826.0 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.53 C=C(C)C1=CC=CC=C1CO CNP0577541.0 [1,1,0,0,0,0|1,0,0]=3 536 B11R1.53 C=C(C)C1=CC=CC=C1OC CNP0134279.0 [1,1,0,0,0,0|1,0,0]=3 537 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [1,1,0,0,0,0|1,0,0]=3 538 B11R1.53 CC(O)C1=CC=CC=C1CO CNP0540507.0 [1,1,0,0,0,0|0,0,2]=4 539 B11R1.53 CCC1=NC=CC=C1C(=O)N CNP0233596.0 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.53 CCC1=NC=CN=C1C(=O)C CNP0402270.0 [1,1,0,0,0,0|2,0,0]=4 541 B11R1.53 CN(C)C1=CC=CC=C1CO CNP0418258.0 [1,1,0,0,0,0|2,0,0]=4 542 B11R1.53 CNC1=CC=CC=C1C(=O)N CNP0211327.0 [1,1,0,0,0,0|1,0,0]=3 543 B11R1.53 CNC1=CC=CC=C1C(=O)O CNP0163080.0 [1,1,0,0,0,0|1,0,0]=3 544 B11R1.53 COC1=CC=CC=C1C(=O)O CNP0156098.0 [1,1,0,0,0,0|1,0,0]=3 545 B11R1.53 COC1=CC=CC=C1C(C)C CNP0578061.0 [1,1,0,0,0,0|1,0,1]=4 546 B11R1.53 COC1=CC=CC=C1N(C)C CNP0375184.0 [1,1,0,0,0,0|2,0,0]=4 547 B11R1.53 COC1=CC=NC=C1C(=O)O CNP0300933.0 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.53 COC1=CN=CC=C1C(=O)O CNP0542461.0 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.53 COC1=NC=CC=C1C(=O)O CNP0479827.0 [1,1,0,0,0,0|2,0,0]=4 550 B11R1.53 NC(=O)C1=CC=CC=C1NO CNP0577643.0 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.53 O=C(O)C1=CC=CC=C1CO CNP0283123.0 [1,1,0,0,0,0|1,0,0]=3 552 B11R1.53 O=C(O)C1=CC=CC=C1NO CNP0085034.0 [1,1,0,0,0,0|2,0,0]=4 553 B11R1.53 O=CC1=CC=CC=C1C(=O)O CNP0610125.0 [1,1,0,0,0,0|1,0,1]=4 554 B11R1.53 O=NC1=CC=CC=C1C(=O)O CNP0076644.0 [1,1,0,0,0,0|2,0,0]=4 555 B11R1.87 CC1=CC=CC=C1S(=O)(=O)N CNP0258970.0 [1,1,0,0,0,0|2,0,0]=4 556 B11R1.87 C[P@@](=O)(O)C1=CC=CC=C1O CNP0454510.1 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.156 C=C(C)C1=C(C=CC=C1O)C CNP0547985.0 [1,1,0,0,0,0|1,0,0]=3 558 B11R1.156 CC(=O)C1=C(C=CC=C1O)C CNP0305756.0 [1,1,0,0,0,0|0,0,0]=2 559 B11R1.156 CC(=O)C1=C(C=CC=C1O)O CNP0132108.0 [1,1,0,0,0,0|1,0,0]=3 560 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CNP0307151.0 [1,1,0,0,0,0|1,0,0]=3 561 B11R1.156 CC1=CC=CC(=C1C(=O)O)C CNP0447536.0 [1,1,0,0,0,0|1,0,0]=3 562 B11R1.156 CC1=CC=CC(=C1C(=O)O)N CNP0474196.0 [1,1,0,0,0,0|1,0,0]=3 563 B11R1.156 CC1=CC=CC(=C1C(=O)O)O CNP0206449.0 [1,1,0,0,0,0|1,0,0]=3 564 B11R1.156 NC(=O)C1=C(C=CC=C1Cl)Cl CNP0189889.0 [1,1,0,0,0,0|2,0,0]=4 565 B11R1.156 O=C(O)C1=C(C=CC=C1O)O CNP0200151.0 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.159 C=C(C)C1=CC=CC(=C1C)O CNP0547009.0 [1,1,0,0,0,0|1,0,0]=3 567 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [1,1,0,0,0,0|1,0,0]=3 568 B11R1.159 CC1=C(C=CC=C1C(C)C)O CNP0487698.0 [1,1,0,0,0,0|1,0,1]=4 569 B11R1.159 CC1=CC=CC(=C1N)C(=O)O CNP0472872.0 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.159 CC1=CC=CC(=C1O)C(=O)O CNP0134592.0 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.159 NC(=O)C1=CC=CC(=C1N)O CNP0129939.0 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.159 NC(=O)C1=CC=CC(=C1O)O CNP0115939.0 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.159 NC1=C(C=CC=C1C(=O)O)Cl CNP0150804.0 [1,1,0,0,0,0|2,0,0]=4 574 B11R1.159 NC1=C(C=CC=C1C(=O)O)O CNP0324729.0 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.159 NC1=CC=CC(=C1N)C(=O)O CNP0140316.0 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.159 NC1=CC=CC(=C1O)C(=O)O CNP0299279.0 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.159 O=C(O)C1=CC=CC(=C1O)O CNP0283277.0 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.159 O=C(O)C1=CC=CC(=O)C1=O CNP0189448.0 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.159 O=C([O-])C1=CC=CC(=C1O)O CNP0535153.0 [1,1,0,0,0,0|2,0,0]=4 580 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [1,1,0,0,0,0|1,0,0]=3 581 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [1,1,0,0,0,0|1,0,0]=3 582 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [1,1,0,0,0,0|1,0,0]=3 583 B11R1.167 CC(=O)C1=NC(=CN=C1C)C CNP0205737.0 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.167 CC1=CC=C(C(=C1)C(=O)N)C CNP0373420.0 [1,1,0,0,0,0|1,0,0]=3 585 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)C CNP0331077.0 [1,1,0,0,0,0|1,0,0]=3 586 B11R1.167 CC1=CC=C(C(=C1)C(C)C)C CNP0319974.0 [1,1,0,0,0,0|1,0,1]=4 587 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C CNP0535896.0 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.167 CC1=CC=C(C=C1C(=O)O)O CNP0535211.0 [1,1,0,0,0,0|1,0,0]=3 589 B11R1.167 CC1=CC=C(C=C1[N+](=O)[O-])Cl CNP0495474.0 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.167 CC1=CC=[N+](C=C1C(=O)N)[O-] CNP0497301.0 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.167 CC1=CC=[N+](C=C1C(=O)O)[O-] CNP0577851.0 [1,1,0,0,0,0|2,0,0]=4 592 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)O CNP0079833.0 [1,1,0,0,0,0|2,0,0]=4 593 B11R1.167 NC1=CC=C(C=C1C(=O)O)O CNP0213879.0 [1,1,0,0,0,0|2,0,0]=4 594 B11R1.167 O=C(O)C1=CC(=CC=C1O)O CNP0187458.0 [1,1,0,0,0,0|2,0,0]=4 595 B11R1.222 CC(=NO)C1=CC=CC=C1N CNP0306135.0 [1,1,0,0,0,0|1,0,1]=4 596 B11R1.222 CC1=CC=NC=C1C(=O)NN CNP0243010.0 [1,1,0,0,0,0|2,0,0]=4 597 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [1,1,0,0,0,0|1,0,0]=3 598 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [1,1,0,0,0,0|1,0,0]=3 599 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [1,1,0,0,0,0|1,0,0]=3 600 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [1,1,0,0,0,0|1,0,0]=3 601 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [1,1,0,0,0,0|1,0,0]=3 602 B11R1.222 COC(=O)C1=CN=CC=C1N CNP0157135.0 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.222 NNC(=O)C1=CC=CC=C1Cl CNP0255519.0 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.222 O=C(NO)C1=CC=CC=C1O CNP0106659.0 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [1,1,0,0,0,0|1,0,0]=3 606 B11R1.225 COC(=O)C1=CN(C=[N+]1C)C CNP0429171.0 [0,1,0,0,1,0|2,0,0]=4 607 B11R1.225 COC(=O)C1=C[N+](=CN1C)C CNP0561659.0 [0,1,0,0,1,0|2,0,0]=4 608 B11R1.225 COC(=O)N1N=C(C=C1C)C CNP0064291.0 [0,1,0,0,1,0|2,0,0]=4 609 B11R1.672 CC1=C(C(=C(S1)C(=O)O)C)C CNP0236757.0 [0,1,0,0,1,0|2,0,0]=4 610 B11R1.673 CC(=O)C1=C(N(C=C1C)C)C CNP0055071.0 [0,1,0,0,1,0|1,0,0]=3 611 B11R1.673 CC(=O)C1=C(OC(C1=O)C)C CNP0337023.0 [0,1,0,0,1,0|1,0,1]=4 612 B11R1.673 CC(=O)[C@@H]1C(=O)C=C(C1=O)C CNP0363698.1 [0,1,0,0,1,0|1,0,1]=4 613 B11R1.673 CC(=O)[C@H]1C(=O)C=C(C1=O)C CNP0363698.2 [0,1,0,0,1,0|1,0,1]=4 614 B13R1.51 COC1=CC(=CC=C1NC(=O)C)O CNP0571653.0 [0,1,0,0,0,1|1,0,0]=3 615 B13R1.51 COC1=CC(=CC=C1OC(=O)C)C CNP0189629.0 [0,1,0,0,0,1|0,0,0]=2 616 B13R1.163 CC(=O)C(=O)C1=CC=C(C=C1O)C CNP0147494.0 [0,1,0,0,0,1|1,0,0]=3 617 B13R1.163 CC(=O)[C@@H](C)C1=CC=C(C=C1O)C CNP0325970.1 [0,1,0,0,0,1|1,0,0]=3 618 B13R1.163 CC(=O)[C@@H](O)C1=CC=C(C=C1O)C CNP0151218.2 [0,1,0,0,0,1|1,0,0]=3 619 B13R1.163 CC(=O)[C@H](O)C1=CC=C(C=C1O)C CNP0151218.1 [0,1,0,0,0,1|1,0,0]=3 620 B13R1.653 C=CC1=CC=C(C(=C1)C)OC(=O)C CNP0588232.0 [0,1,0,0,0,1|0,0,1]=3 621 B13R1.653 COC1=CC=C(C(=C1)O)CC(=O)O CNP0239375.0 [0,1,0,0,0,1|2,0,0]=4 622 B13R1.653 COC1=CC=C(C(=C1)O)NC(=O)C CNP0561115.0 [0,1,0,0,0,1|1,0,0]=3 623 B13R1.876 CC(=O)CC1=CC(=C(C=C1C)C)C CNP0295680.0 [0,1,0,0,0,1|0,0,0]=2 624 B13R1.2679 COC(=O)CC1=CC=C(C=C1O)O CNP0527906.0 [0,1,0,0,0,1|2,0,0]=4 625 B13R1.2808 CC(=O)OC1=C(C=C(C=C1Br)Br)Br CNP0224504.0 [0,1,0,0,0,1|2,0,0]=4 626 B13R1.2808 CC(=O)OC1=C(C=C(C=C1Br)C)Br CNP0399285.0 [0,1,0,0,0,1|1,0,0]=3 627 B13R1.99 COC1=CC(=CC=C1C(C)C)CO CNP0327020.0 [0,2,0,0,0,0|1,0,1]=4 628 B13R1.99 COC1=CC(=CC=C1[N+](=O)[O-])CO CNP0514996.0 [0,2,0,0,0,0|2,0,0]=4 629 B13R1.99 COC1=CC=C(C(=C1)OC)C(=O)C CNP0393689.0 [0,2,0,0,0,0|0,0,0]=2 630 B13R1.99 COC1=CC=C(C(=C1)OC)C(=O)O CNP0199475.0 [0,2,0,0,0,0|1,0,0]=3 631 B13R1.315 CCC1=CC(=CC(=C1C(=O)O)O)O CNP0387361.0 [0,2,0,0,0,0|2,0,0]=4 632 B13R1.315 COC1=CC(=CC(=C1C(=O)C)O)C CNP0249495.0 [0,2,0,0,0,0|0,0,0]=2 633 B13R1.315 COC1=CC(=CC(=C1C(=O)C)O)O CNP0293101.0 [0,2,0,0,0,0|1,0,0]=3 634 B13R1.315 COC1=CC(=CC(=C1C(=O)O)C)C CNP0461364.0 [0,2,0,0,0,0|1,0,0]=3 635 B13R1.315 COC1=CC(=CC(=C1C(=O)O)O)C CNP0350320.0 [0,2,0,0,0,0|1,0,0]=3 636 B13R1.356 CCOC1=CC(=CC=C1C(C)C)C CNP0179395.0 [0,2,0,0,0,0|1,0,1]=4 637 B13R1.2065 COC(=O)C1=CC=C(C=C1OC)O CNP0161854.0 [0,2,0,0,0,0|1,0,0]=3 638 B13R1.2398 COC1=CC(=C(C=C1C(=O)C)O)O CNP0173358.0 [0,2,0,0,0,0|1,0,0]=3 639 B13R1.2398 COC1=CC(=C(C=C1C(=O)O)Cl)N CNP0575388.0 [0,2,0,0,0,0|2,0,0]=4 640 B13R1.2398 COC1=CC(=C(C=C1C(C)C)O)C CNP0411678.0 [0,2,0,0,0,0|1,0,1]=4 641 B13R1.3158 CC1=NC=C(C(=C1O)CO)C(=O)O CNP0580769.0 [0,2,0,0,0,0|2,0,0]=4 642 B13R1.3158 CCC1=C(C=CC(=C1C)C)[N+](=O)[O-] CNP0532936.0 [0,2,0,0,0,0|2,0,0]=4 643 B13R1.652 COC1=CC(=C(C=C1Br)C(=O)C)O CNP0197660.0 [0,2,0,0,0,0|1,0,0]=3 644 B13R1.652 COC1=CC(=C(C=C1C)C(=O)O)C CNP0473530.0 [0,2,0,0,0,0|1,0,0]=3 645 B13R1.652 COC1=CC(=C(C=C1O)C(=O)C)O CNP0205734.0 [0,2,0,0,0,0|1,0,0]=3 646 B13R1.1807 CCC(=O)C1=CC(=C(C=C1O)O)O CNP0201482.0 [0,2,0,0,0,0|2,0,0]=4 647 B13R1.2811 C=C(C)C1=CC(=C(C(=C1C)C)C)C CNP0611550.0 [0,2,0,0,0,0|1,0,0]=3 648 B13R1.2811 CC(=O)C1=CC(=C(C(=C1O)C)O)C CNP0250819.0 [0,2,0,0,0,0|2,0,0]=4 649 B13R1.2811 CC(=O)C1=CC(=C(C(=C1O)O)O)C CNP0137870.0 [0,2,0,0,0,0|2,0,0]=4 650 B13R1.2811 CC1=C(C=C(C(=C1O)O)O)C(=O)O CNP0583118.0 [0,2,0,0,0,0|2,0,0]=4 651 B13R1.2811 CC1=CC(=C(C(=C1C)C)C)C(=O)O CNP0451162.0 [0,2,0,0,0,0|1,0,0]=3 652 B13R1.2812 CC(=O)C1=C(C=C(C(=C1C)C)O)O CNP0504557.0 [0,2,0,0,0,0|1,0,0]=3 653 B13R1.2812 CC(=O)C1=C(C=C(C(=C1O)C)O)O CNP0105460.0 [0,2,0,0,0,0|2,0,0]=4 654 B13R1.2812 CC(=O)C1=C(C=C(C(=C1O)O)O)O CNP0328473.0 [0,2,0,0,0,0|2,0,0]=4 655 B13R1.2812 CC1=C(C(=CC(=C1C(=O)O)O)O)Br CNP0498175.0 [0,2,0,0,0,0|2,0,0]=4 656 B13R1.2812 CC1=C(C(=CC(=C1C(=O)O)O)O)Cl CNP0345358.0 [0,2,0,0,0,0|2,0,0]=4 657 B13R1.2812 CC1=C(C=C(C(=C1C)C(=O)O)O)O CNP0302993.0 [0,2,0,0,0,0|2,0,0]=4 658 B13R1.2812 CC1=CC(=C(C(=C1C(=O)O)O)C)O CNP0165507.0 [0,2,0,0,0,0|2,0,0]=4 659 B13R1.2812 CC1=CC(=C(C(=C1C)C)C(=O)O)C CNP0441286.0 [0,2,0,0,0,0|1,0,0]=3 660 B13R1.95 CCC(=O)C1=CC=C(C=C1O)OC CNP0227317.0 [0,2,0,0,0,0|1,0,0]=3 661 B13R1.95 COC(=O)C1=CC=C(C=C1O)OC CNP0304629.0 [0,2,0,0,0,0|1,0,0]=3 662 B13R1.120 CC(=O)C1=CC=C(C=C1O)C(=O)O CNP0605440.0 [0,2,0,0,0,0|1,0,1]=4 663 B13R1.120 CC1=CC(=CC=C1C(=O)O)C(=O)N CNP0577452.0 [0,2,0,0,0,0|1,0,1]=4 664 B13R1.120 CC1=CC(=CC=C1C(=O)O)[N+](=O)[O-] CNP0606851.0 [0,2,0,0,0,0|2,0,0]=4 665 B13R1.428 COC1=CC(=C(C(=C1)C)C(=O)O)C CNP0279778.0 [0,2,0,0,0,0|1,0,0]=3 666 B13R1.428 COC1=CC(=C(C(=C1)O)C(=O)C)C CNP0119132.0 [0,2,0,0,0,0|0,0,0]=2 667 B13R1.428 COC1=CC(=C(C(=C1)O)C(=O)C)O CNP0276533.0 [0,2,0,0,0,0|1,0,0]=3 668 B13R1.428 COC1=CC(=C(C(=C1)O)C(=O)O)C CNP0163460.0 [0,2,0,0,0,0|1,0,0]=3 669 B13R1.428 COC1=CC(=C(C(=C1)O)C(=O)O)O CNP0166928.0 [0,2,0,0,0,0|2,0,0]=4 670 B13R1.3096 COC1=CC=C(C(=C1N)O)C(=O)N CNP0395135.0 [0,2,0,0,0,0|2,0,0]=4 671 B13R1.3096 COC1=CC=C(C(=C1O)O)C(=O)C CNP0408569.0 [0,2,0,0,0,0|1,0,0]=3 672 B13R1.3096 COC1=CC=C(C(=C1O)O)C(=O)O CNP0277888.0 [0,2,0,0,0,0|2,0,0]=4 673 B13R1.1808 CC1=C(C=CC(=C1O)C(=O)CCl)O CNP0124748.0 [0,2,0,0,0,0|2,0,0]=4 674 B13R1.1808 COC(=O)C1=CC=C(C(=C1N)O)C CNP0250480.0 [0,2,0,0,0,0|1,0,0]=3 675 B13R1.1808 COC(=O)C1=CC=C(C(=C1O)O)O CNP0181804.0 [0,2,0,0,0,0|2,0,0]=4 676 B13R1.3230 COC1=C(C=CC(=C1O)C(=O)C)O CNP0578194.0 [0,2,0,0,0,0|2,0,0]=4 677 B13R1.2814 CC(=O)C1=C(C=C(CC1(C)C)C)O CNP0469977.0 [0,2,0,0,0,0|0,0,2]=4 678 B13R1.4656 CCC(=O)C1=C(C=C(C=C1O)O)O CNP0187194.0 [0,2,0,0,0,0|2,0,0]=4 679 B13R1.4656 COC(=O)C1=C(C=C(C=C1O)C)O CNP0387213.0 [0,2,0,0,0,0|1,0,0]=3 680 B13R1.4656 COC(=O)C1=C(C=C(C=C1O)O)C CNP0150273.0 [0,2,0,0,0,0|1,0,0]=3 681 B13R1.4656 COC(=O)C1=C(C=C(C=C1O)O)O CNP0228993.0 [0,2,0,0,0,0|2,0,0]=4 682 B13R1.4656 COC(=O)C1=C(OC(=O)C=C1C)C CNP0369851.0 [0,2,0,0,0,0|2,0,0]=4 683 B13R1.4656 O=C(CO)C1=C(C=C(C=C1O)O)O CNP0139666.0 [0,2,0,0,0,0|2,0,0]=4 684 B13R1.1511 CCOC(=O)C1=CC=C(C=C1O)O CNP0403954.0 [0,2,0,0,0,0|2,0,0]=4 685 B13R1.1511 NCCC(=O)C1=CC=C(C=C1N)Br CNP0432173.0 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.90 C=C(C)C=CC1=C(C=CO1)C CNP0277350.0 [0,0,1,1,0,0|2,0,0]=4 687 B11R1.157 CC(=CC1=CC(=CC=N1)C)C CNP0513587.0 [0,0,1,1,0,0|2,0,0]=4 688 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [0,0,1,1,0,0|1,0,1]=4 689 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [0,0,1,1,0,0|1,0,1]=4 690 B11R1.562 C/C/1=C/C=C\[C@@](C/C=C1)(C)O CNP0143835.1 [0,0,1,1,0,0|0,0,2]=4 691 B11R1.465 CC=CCC1=C(CCC1=O)C CNP0359607.0 [0,0,1,1,0,0|0,0,2]=4 692 B11R1.39 C=CC(=CC1=CC(=CO1)C)C CNP0161255.0 [0,0,1,1,0,0|2,0,0]=4 693 B11R1.175 C=C(C)[C@@H]1CC=C(C1)C(=O)C CNP0275348.1 [0,0,1,1,0,0|0,0,2]=4 694 B11R1.175 CC(=O)C1=CCC(=C(C)C)C1 CNP0199541.0 [0,0,1,1,0,0|0,0,2]=4 695 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [1,0,0,1,0,0|0,0,0]=2 696 B11R2.36 CC1=CC=C2C=CNC2=C1 CNP0156708.0 [1,0,0,1,0,0|1,0,1]=4 697 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [1,0,0,1,0,0|0,0,1]=3 698 B11R2.36 CC1=CC=C2CCCC2=N1 CNP0269261.0 [1,0,0,1,0,0|1,0,1]=4 699 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [1,0,0,1,0,0|1,0,1]=4 700 B11R2.36 OC1=CC=C2NCCC2=C1 CNP0290349.0 [1,0,0,1,0,0|2,0,0]=4 701 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [1,0,0,1,0,0|2,0,0]=4 702 B11R2.610 CC1=CC(=C2CCC2=C1)C CNP0050950.0 [1,0,0,1,0,0|0,0,1]=3 703 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [1,0,0,1,0,0|1,0,0]=3 704 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [1,0,0,1,0,0|2,0,0]=4 705 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [1,0,0,1,0,0|2,0,0]=4 706 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [1,0,0,1,0,0|1,0,1]=4 707 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [1,0,0,1,0,0|2,0,0]=4 708 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [1,0,0,1,0,0|2,0,0]=4 709 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [1,0,0,1,0,0|1,0,1]=4 710 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [1,0,0,1,0,0|0,0,0]=2 711 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [1,0,0,1,0,0|1,0,0]=3 712 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [1,0,0,1,0,0|1,0,0]=3 713 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [1,0,0,1,0,0|1,0,1]=4 714 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [1,0,0,1,0,0|1,0,0]=3 715 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [1,0,0,1,0,0|2,0,0]=4 716 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [1,0,0,1,0,0|1,0,0]=3 717 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [1,0,0,1,0,0|1,0,1]=4 718 B11R2.55 CC1=CC=CC=C1C2CO2 CNP0595816.0 [1,0,0,1,0,0|0,0,2]=4 719 B11R2.59 CC1(CC2=CC=CC=C12)C CNP0056719.0 [1,0,0,1,0,0|1,0,1]=4 720 B11R2.59 C[C@@]1(CC2=CC=CC=C12)O CNP0029617.2 [1,0,0,1,0,0|0,0,2]=4 721 B11R2.59 C[C@]1(CC2=CC=CC=C12)O CNP0029617.1 [1,0,0,1,0,0|0,0,2]=4 722 B11R2.468 O=C1CC2=CC=CC(=C12)Br CNP0327870.0 [1,0,0,1,0,0|1,0,0]=3 723 B11R2.468 O=C1CC2=CC=CC(=C12)Cl CNP0193006.0 [1,0,0,1,0,0|1,0,0]=3 724 B11R2.66 O=C1CCC2=C1C=C(S2)Cl CNP0193602.0 [0,0,0,1,1,0|2,0,0]=4 725 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)C CNP0206738.0 [0,0,0,1,0,1|1,0,1]=4 726 B13R2.3683 CC1=CC=C2CC(=O)CCC2=C1 CNP0271833.0 [0,0,0,1,0,1|0,0,0]=2 727 B13R2.3683 CC1=CC=C2N=C(C=CC2=C1)C CNP0295261.0 [0,0,0,1,0,1|1,0,1]=4 728 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 CNP0321280.0 [0,0,0,1,0,1|0,0,2]=4 729 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 CNP0223788.0 [0,0,0,1,0,1|0,0,0]=2 730 B13R2.3683 O=C1C=C2CCC(=O)CC2=CC1 CNP0541100.0 [0,0,0,1,0,1|1,0,1]=4 731 B13R2.3683 O=C1CCC2=CC(=CC=C2N1)O CNP0247732.0 [0,0,0,1,0,1|1,0,0]=3 732 B13R2.3683 O=C1CSC2=CC(=CC=C2N1)O CNP0119141.0 [0,0,0,1,0,1|2,0,0]=4 733 B13R2.5397 CC1=CC(=C2CC(=O)OC2=C1)C CNP0412114.0 [0,0,0,1,0,1|1,0,0]=3 734 B13R2.1944 COC1=CC(=CC2=C1C(=O)C2)C CNP0407597.0 [0,1,0,1,0,0|0,0,0]=2 735 B13R2.5179 CC1=CC2=C(C=N1)C(=O)OCC2 CNP0251579.0 [0,1,0,1,0,0|1,0,0]=3 736 B13R2.5179 CC1=CC=C2C(=CC=CC2=C1)C CNP0218793.0 [0,1,0,1,0,0|1,0,1]=4 737 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)C CNP0312669.0 [0,1,0,1,0,0|1,0,1]=4 738 B13R2.5179 O=C1CCOC2=CC(=CC=C12)Br CNP0247122.0 [0,1,0,1,0,0|1,0,0]=3 739 B13R2.5179 O=C1CCOC2=CC(=CC=C12)O CNP0038707.0 [0,1,0,1,0,0|1,0,0]=3 740 B13R2.5187 CC1CC(=O)C2=CC=C(C=C12)O CNP0611868.0 [0,1,0,1,0,0|1,0,0]=3 741 B13R2.5187 CC1CC(=O)C2=NC=C(C=C12)O CNP0315960.0 [0,1,0,1,0,0|2,0,0]=4 742 B13R2.5187 C[C@@H]1CC(=O)C2=NC=C(C=C12)O CNP0315960.1 [0,1,0,1,0,0|2,0,0]=4 743 B13R2.4011 CC1=CC(=C2C(=C1)C[C@@]2(C)O)C CNP0304910.1 [0,1,0,1,0,0|0,0,2]=4 744 B13R2.4011 CC1=CC(=C2C(=C1)C[C@]2(C)O)C CNP0304910.2 [0,1,0,1,0,0|0,0,2]=4 745 B13R2.11634 O=C1OCC2=CC(=C(C=C12)O)O CNP0217673.0 [0,1,0,1,0,0|2,0,0]=4 746 B13R2.13515 CC1=CC(=C2C(=O)CC2=C1C)C CNP0034532.0 [0,1,0,1,0,0|0,0,0]=2 747 B13R2.2130 COC1=CC=C2C(=O)CCC2=C1 CNP0365392.0 [0,1,0,1,0,0|0,0,0]=2 748 B13R2.6688 COC1=CC(=C2C(=O)CC2=C1)C CNP0058640.0 [0,1,0,1,0,0|0,0,0]=2 749 B13R2.3271 CC1=CC2=C(C(=O)C2)C(=C1C)C CNP0156060.0 [0,1,0,1,0,0|0,0,0]=2 750 B13R2.5180 CC1=C(C=CC2=C1OCC2=O)O CNP0042986.0 [0,1,0,1,0,0|2,0,0]=4 751 B13R2.5180 CC1=NC=C2C(=O)OCC2=C1O CNP0395670.0 [0,1,0,1,0,0|2,0,0]=4 752 B13R2.5180 O=C1COC2=C1C=CC(=C2O)O CNP0194185.0 [0,1,0,1,0,0|2,0,0]=4 753 B13R2.11642 CC1=CC(=C2C(=O)COC2=C1)O CNP0043045.0 [0,1,0,1,0,0|1,0,0]=3 754 B13R2.11642 CC1=CC(=CC2=C1C(=O)CO2)O CNP0082490.0 [0,1,0,1,0,0|1,0,0]=3 755 B13R2.11642 CC1=CC2=C(C(=O)NC2)C(=O)N1 CNP0198796.0 [0,1,0,1,0,0|2,0,0]=4 756 B13R2.11642 O=C1COC2=CC(=CC(=C12)O)O CNP0258998.0 [0,1,0,1,0,0|2,0,0]=4 757 B13R2.11642 O=C1OCC2=CC(=CC(=C12)O)O CNP0364654.0 [0,1,0,1,0,0|2,0,0]=4 758 B13R2.662 CC1=CC=C2C(=COC2=C1)CO CNP0306512.0 [0,1,0,1,0,0|2,0,0]=4 759 B13R2.5190 C=C1C2=CC=C(C=C2O[C@@H]1O)C CNP0216491.1 [0,1,0,1,0,0|2,0,0]=4 760 B13R2.5190 C=C1C2=CC=C(C=C2O[C@H]1O)C CNP0216491.2 [0,1,0,1,0,0|2,0,0]=4 761 B13R2.5190 CC1=C2C=CN(C=C2OC1=O)C CNP0603753.0 [0,1,0,1,0,0|2,0,0]=4 762 B13R2.5190 CC1=CC=C2C(=C1)OC(=O)C2C CNP0002673.0 [0,1,0,1,0,0|1,0,1]=4 763 B13R2.5190 CN1C(=O)CC2=CC(=CC=C12)Br CNP0119726.0 [0,1,0,1,0,0|2,0,0]=4 764 B9R0.48 CC=CC(=CC=C(C)C)C CNP0423070.0 [0,0,1,0,1,0|1,0,0]=3 765 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [1,0,0,0,1,0|1,0,0]=3 766 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [1,0,0,0,1,0|1,0,0]=3 767 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [1,0,0,0,1,0|1,0,0]=3 768 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [1,0,0,0,1,0|1,0,0]=3 769 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [1,0,0,0,1,0|2,0,0]=4 770 B9R1.35 CC(=O)C1=NC(=CS1)C CNP0322943.0 [1,0,0,0,1,0|2,0,0]=4 771 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [1,0,0,0,1,0|2,0,0]=4 772 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [1,0,0,0,1,0|2,0,0]=4 773 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [1,0,0,0,1,0|2,0,0]=4 774 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [1,0,0,0,1,0|2,0,0]=4 775 B9R1.22 CC1=C(OC(=C1)O)C=O CNP0522144.0 [1,0,0,0,1,0|2,0,0]=4 776 B9R1.22 CSC1=C(OC(=C1)C)C CNP0290241.0 [1,0,0,0,1,0|2,0,0]=4 777 B9R1.132 CC1=C(OC=C1O)C=O CNP0517113.0 [1,0,0,0,1,0|2,0,0]=4 778 B9R1.132 CCC1=C(C(=CS1)C)C CNP0171065.0 [1,0,0,0,1,0|1,0,1]=4 779 B9R1.132 CCC1=CSC(=C1C)C CNP0103141.0 [1,0,0,0,1,0|1,0,1]=4 780 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [1,0,0,0,1,0|1,0,1]=4 781 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [1,0,0,0,1,0|1,0,0]=3 782 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [1,0,0,0,1,0|2,0,0]=4 783 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [1,0,0,0,1,0|1,0,0]=3 784 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [1,0,0,0,1,0|1,0,0]=3 785 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [1,0,0,0,1,0|1,0,0]=3 786 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [1,0,0,0,1,0|2,0,0]=4 787 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [1,0,0,0,1,0|2,0,0]=4 788 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [1,0,0,0,1,0|2,0,0]=4 789 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [1,0,0,0,1,0|2,0,0]=4 790 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [1,0,0,0,0,1|2,0,0]=4 791 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [1,0,0,0,0,1|1,0,0]=3 792 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [1,0,0,0,0,1|1,0,0]=3 793 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [1,0,0,0,0,1|1,0,0]=3 794 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [1,0,0,0,0,1|1,0,0]=3 795 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [1,0,0,0,0,1|1,0,0]=3 796 B11R1.20 CC(=O)NC1=CC=C(C=N1)Cl CNP0056612.0 [1,0,0,0,0,1|2,0,0]=4 797 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [1,0,0,0,0,1|1,0,0]=3 798 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [1,0,0,0,0,1|0,0,0]=2 799 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [1,0,0,0,0,1|1,0,0]=3 800 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [1,0,0,0,0,1|1,0,1]=4 801 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [1,0,0,0,0,1|1,0,1]=4 802 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [1,0,0,0,0,1|2,0,0]=4 803 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [1,0,0,0,0,1|2,0,0]=4 804 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [1,0,0,0,0,1|2,0,0]=4 805 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [1,0,0,0,0,1|2,0,0]=4 806 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [1,0,0,0,0,1|2,0,0]=4 807 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [1,0,0,0,0,1|2,0,0]=4 808 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [1,0,0,0,0,1|2,0,0]=4 809 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [1,0,0,0,0,1|2,0,0]=4 810 B11R1.86 CC(=O)C[N+]1=CC=CC=C1Br CNP0514161.0 [1,0,0,0,0,1|2,0,0]=4 811 B11R1.86 CC(=O)C[N+]1=CC=CC=C1N CNP0557788.0 [1,0,0,0,0,1|2,0,0]=4 812 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [1,0,0,0,0,1|1,0,0]=3 813 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [1,0,0,0,0,1|0,0,0]=2 814 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [1,0,0,0,0,1|1,0,0]=3 815 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [1,0,0,0,0,1|1,0,0]=3 816 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [1,0,0,0,0,1|1,0,0]=3 817 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [1,0,0,0,0,1|0,0,0]=2 818 B11R1.86 CC(=O)OC1=COC=CC1=O CNP0156706.0 [1,0,0,0,0,1|2,0,0]=4 819 B11R1.86 NC(=O)NC1=CC=CC=C1N CNP0330070.0 [1,0,0,0,0,1|2,0,0]=4 820 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [1,0,0,0,0,1|2,0,0]=4 821 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [1,0,0,0,0,1|2,0,0]=4 822 B11R1.74 CC(=O)C1=CC(=CC(=C1)O)O CNP0352952.0 [0,0,0,0,1,1|2,0,0]=4 823 B11R1.74 CC(=O)C1=CC(=NC(=C1)O)C CNP0546674.0 [0,0,0,0,1,1|2,0,0]=4 824 B11R1.74 CC(=O)C1=CC(=O)NC(=C1)C CNP0143897.0 [0,0,0,0,1,1|2,0,0]=4 825 B11R1.74 CC1=CC(=CC(=C1)C(=N)N)C CNP0455721.0 [0,0,0,0,1,1|2,0,0]=4 826 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CNP0063069.0 [0,0,0,0,1,1|1,0,0]=3 827 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)C CNP0469512.0 [0,0,0,0,1,1|1,0,0]=3 828 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)N CNP0441939.0 [0,0,0,0,1,1|2,0,0]=4 829 B11R1.74 CC1=CC(=CC(=C1)C(C)C)C CNP0172814.0 [0,0,0,0,1,1|1,0,1]=4 830 B11R1.74 CC1=CC(=CC(=C1)[N+](=O)[O-])C CNP0484897.0 [0,0,0,0,1,1|2,0,0]=4 831 B13R1.164 CC1=CC(=CC=C1C=CC(=O)O)O CNP0075799.0 [0,0,0,0,0,2|2,0,0]=4 832 B13R1.164 CC1=CC(=CC=C1CCC(=O)O)O CNP0075798.0 [0,0,0,0,0,2|2,0,0]=4