0 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [0,0,0,0,0,0|1,0,1]=2 23 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [0,0,0,0,0,0|1,0,1]=2 24 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [0,0,0,0,0,0|1,0,0]=1 27 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.13 NC(=O)C1=CNC(=O)C=N1 CNP0002360.0 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [0,0,0,0,0,0|1,0,0]=1 31 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [0,0,0,0,0,0|1,0,1]=2 32 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [0,0,0,0,0,0|1,0,1]=2 33 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [0,0,0,0,0,0|0,0,0]=0 36 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [0,0,0,0,0,0|1,0,0]=1 37 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [0,0,0,0,0,0|0,0,1]=1 38 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [0,0,0,0,0,0|1,0,0]=1 39 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [0,0,0,0,0,0|1,0,1]=2 41 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [0,0,0,0,0,0|1,0,1]=2 42 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [0,0,0,0,0,0|1,1,0]=2 43 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [0,0,0,0,0,0|0,0,1]=1 44 B10R1.13 O=C1CC=C(C=N1)C(=O)O CNP0253562.0 [0,0,0,0,0,0|1,0,2]=3 45 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [0,0,0,0,0,0|1,0,1]=2 46 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [1,0,0,0,0,0|1,0,1]=3 63 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [1,0,0,0,0,0|1,0,1]=3 67 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [1,0,0,0,0,0|0,0,0]=1 68 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [1,0,0,0,0,0|1,0,1]=3 69 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.1 O=NC1=CC=C(C=N1)Br CNP0417097.0 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.1 O=NC1=CC=C(C=N1)Cl CNP0071252.0 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [1,0,0,0,0,0|1,0,1]=3 73 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [1,0,0,0,0,0|0,0,1]=2 74 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [1,0,0,0,0,0|1,0,1]=3 75 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,0,0,0,0,0|1,0,1]=3 87 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,0,0,0,0,0|1,0,1]=3 89 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [1,0,0,0,0,0|2,1,0]=4 92 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,0,0,0,0,0|1,0,0]=2 93 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [1,0,0,0,0,0|2,1,0]=4 98 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,0,0,0,0,0|0,0,0]=1 102 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [1,0,0,0,0,0|1,0,0]=2 103 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [1,0,0,0,0,0|1,0,0]=2 104 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [1,0,0,0,0,0|1,0,0]=2 105 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.6 O=C(O)C1=NC=COC1 CNP0348069.0 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.6 O=C(O)C1C=CCN=C1 CNP0025301.0 [1,0,0,0,0,0|1,0,2]=4 108 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,0,0,0,0,0|0,1,0]=2 109 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,0,0,0,0,0|0,0,1]=2 110 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,0,0,0,0,0|0,0,1]=2 111 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,0,0,0,0,0|0,0,1]=2 112 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [1,0,0,0,0,0|1,0,1]=3 113 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [1,0,0,0,0,0|1,0,1]=3 114 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [1,0,0,0,0,0|1,0,0]=2 115 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [1,0,0,0,0,0|1,0,1]=3 116 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [1,0,0,0,0,0|1,0,0]=2 117 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [1,0,0,0,0,0|1,0,0]=2 118 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [1,0,0,0,0,0|1,0,0]=2 119 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [1,0,0,0,0,0|1,0,1]=3 120 B11R1.3 C#CC1=CC=C(C=C1)[N+](=O)[O-] CNP0576680.0 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.3 C=C(C)C1=CC=C(C=C1)C=O CNP0243600.0 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O CNP0513206.0 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.3 C=CC1=CC=C(C=C1)[N+](=O)[O-] CNP0552467.0 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.3 CC(C)C1=CC=C(C=C1)CO CNP0157328.0 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [0,1,0,0,0,0|1,0,0]=2 128 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.3 CNC1=CC=C(C=C1)C(=O)N CNP0151690.0 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [0,1,0,0,0,0|0,0,0]=1 135 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.3 COC1=CC=C(C=C1)S(=O)=O CNP0546840.0 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [0,1,0,0,0,0|1,0,1]=3 139 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] CNP0529321.0 [0,1,0,0,0,0|1,0,1]=3 140 B11R1.3 COC1=CC=C(C=N1)C(=O)O CNP0193366.0 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.3 COC1=CN=C(C=N1)C(=O)C CNP0256640.0 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.3 N=C(N)C1=CC=C(C=C1)CO CNP0538399.0 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.3 NC(=O)C1=CC=C(C=C1)C=O CNP0575281.0 [0,1,0,0,0,0|1,0,1]=3 145 B11R1.3 NNC1=CC=C(C=C1)C(=O)O CNP0496695.0 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr CNP0050291.0 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.3 O=C(O)C1=CC=C(C=C1)CO CNP0163373.0 [0,1,0,0,0,0|0,0,0]=1 148 B11R1.3 O=C(O)C1=CC=C(C=C1)[Hg]O CNP0547098.0 [0,1,0,0,0,0|0,0,0]=1 149 B11R1.3 O=C(O)C1=CN=C(C=N1)CO CNP0383390.0 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O CNP0158402.0 [0,1,0,0,0,0|0,0,1]=2 151 B11R1.3 O=CC1=CC=C(C=C1)[N+](=O)[O-] CNP0489074.0 [0,1,0,0,0,0|1,0,2]=4 152 B11R1.3 O=NC1=CC=C(C=C1)C(=O)O CNP0442117.0 [0,1,0,0,0,0|0,0,1]=2 153 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O CNP0300826.0 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)N CNP0170715.0 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O CNP0341593.0 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.19 NC1=CC=C(C=C1)S(=O)(=O)O CNP0300837.0 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.19 NC1=CC=C(C=C1)[As](=O)(O)O CNP0474348.0 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)O CNP0475877.0 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.19 O=S(=O)(O)C1=CC=C(C=C1)O CNP0102094.0 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.19 O=S(=O)(O)C1=CC=C(C=C1)[Hg] CNP0505241.0 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.21 CC(=O)C1=CC=C(C(=O)O1)C CNP0144436.0 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.21 CC1=CC(=CC=C1Cl)[N+](=O)[O-] CNP0588810.0 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.21 CC1=CC(=CC=C1N)[N+](=O)[O-] CNP0580915.0 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.21 CC1=CC(=CC=C1O)C(=O)O CNP0305353.0 [0,1,0,0,0,0|0,0,0]=1 171 B11R1.21 CC1=CC(=CC=C1O)C(C)C CNP0364356.0 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.21 CC1=CC=C(C=C1C)C(=O)N CNP0387935.0 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O CNP0490875.0 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.21 CN1C=C(C=CC1=O)C(=O)N CNP0249493.0 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.21 CN1C=C(C=CC1=O)C(=O)O CNP0136116.0 [0,1,0,0,0,0|1,0,1]=3 179 B11R1.21 NC(=O)C1=CC=C(C(=C1)N)O CNP0336966.0 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.21 NC(=O)C1=CC=C(C(=C1)O)O CNP0582162.0 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.21 NC1=CC(=CC=C1Cl)[N+](=O)[O-] CNP0484931.0 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.21 NC1=CC(=CC=C1O)C(=O)O CNP0343618.0 [0,1,0,0,0,0|0,0,0]=1 183 B11R1.21 NC1=CC=C(C=C1N)C(=O)O CNP0515616.0 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.21 NC1=CC=C(C=C1O)C(=O)O CNP0018090.0 [0,1,0,0,0,0|1,0,0]=2 185 B11R1.21 O=C(O)C1=CC(=O)C(=CO1)O CNP0498099.0 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.21 O=C(O)C1=CC=C(C(=C1)Br)O CNP0414254.0 [0,1,0,0,0,0|0,0,0]=1 187 B11R1.21 O=C(O)C1=CC=C(C(=C1)Cl)O CNP0131355.0 [0,1,0,0,0,0|0,0,0]=1 188 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)O CNP0348948.0 [0,1,0,0,0,0|0,0,0]=1 189 B11R1.21 O=C(O)C1=CC[C@H](C(=C1)O)O CNP0081104.1 [0,1,0,0,0,0|0,0,2]=3 190 B11R1.21 O=C(O)C1=COC(=O)C(=C1)Br CNP0460308.0 [0,1,0,0,0,0|1,0,1]=3 191 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)Cl)O CNP0491874.0 [0,1,0,0,0,0|1,0,1]=3 192 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)O CNP0593657.0 [0,1,0,0,0,0|1,0,1]=3 193 B11R1.22 C=C[C@@H](O)C1=CC=C(C=C1)O CNP0280373.2 [0,1,0,0,0,0|1,0,1]=3 194 B11R1.22 C=C[C@H](O)C1=CC=C(C=C1)O CNP0280373.1 [0,1,0,0,0,0|1,0,1]=3 195 B11R1.22 CC1=CC=C(C=C1)C(=NO)N CNP0330819.0 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [0,1,0,0,0,0|1,0,1]=3 202 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [0,1,0,0,0,0|0,0,0]=1 207 B11R1.22 COC(=O)C1=COC(=O)C=C1 CNP0038303.0 [0,1,0,0,0,0|1,0,1]=3 208 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,1,0,0,0,0|1,0,1]=3 209 B11R1.22 N#C[C@@H](O)C1=CC=C(C=C1)O CNP0245965.1 [0,1,0,0,0,0|1,0,1]=3 210 B11R1.22 N#C[C@H](O)C1=CC=C(C=C1)O CNP0245965.2 [0,1,0,0,0,0|1,0,1]=3 211 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [0,1,0,0,0,0|1,0,1]=3 212 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [0,1,0,0,0,0|1,0,1]=3 213 B11R1.22 NNC(=O)C1=CC=C(C=C1)Cl CNP0071039.0 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.22 NNC(=O)C1=CC=C(C=C1)O CNP0382573.0 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [0,1,0,0,0,0|0,0,0]=1 217 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br CNP0218698.0 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [0,1,0,0,0,0|0,0,1]=2 219 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [0,1,0,0,0,0|0,0,2]=3 220 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [0,1,0,0,0,0|0,0,2]=3 221 B11R1.22 ON=C(Cl)C1=CC=C(C=C1)Cl CNP0052470.0 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,1,0,0,0,0|1,0,0]=2 224 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.166 CC1=CC(=CC=C1C(=O)O)O CNP0075319.0 [0,1,0,0,0,0|0,0,0]=1 228 B11R1.166 CC1=CC(=CC=C1C(C)C)O CNP0343687.0 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])N CNP0541671.0 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O CNP0491726.0 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,1,0,0,0,0|1,0,0]=2 233 B11R1.166 CC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0575477.0 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.166 CC1=NC(=NC=C1C(=O)O)N CNP0397736.0 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl CNP0526880.0 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.166 NC(=O)C1=CC=C(C=C1O)O CNP0268339.0 [0,1,0,0,0,0|1,0,0]=2 238 B11R1.166 NC1=CC(=CC=C1[N+](=O)[O-])Cl CNP0590572.0 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.166 NC1=CC=C(C(=C1)N)C(=O)O CNP0400011.0 [0,1,0,0,0,0|1,0,0]=2 240 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)O CNP0313106.0 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.166 NC1=NC(=O)NC=C1C(=O)O CNP0343495.0 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.166 NC1=NC=C(C(=O)N1)C(=O)O CNP0397783.0 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.166 O=C(Cl)C1=CC=C(C=C1O)O CNP0210532.0 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.166 O=C(O)C1=CC=C(C=C1Cl)Cl CNP0175601.0 [0,1,0,0,0,0|1,0,0]=2 245 B11R1.166 O=C(O)C1=CC=C(C=C1O)O CNP0285956.0 [0,1,0,0,0,0|0,0,0]=1 246 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Cl CNP0609125.0 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.166 O=C(O)C1=CN=C(N=C1O)O CNP0502839.0 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.166 O=C(O)C1=CNC(=O)NC1=O CNP0610128.0 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1O)O CNP0564391.0 [0,1,0,0,0,0|1,0,1]=3 250 B11R1.220 CC(=O)C1(C=CC(=CC1)O)O CNP0554269.0 [0,1,0,0,0,0|1,0,2]=4 251 B11R1.727 CC(=C1C=CC(C=C1)(C)O)C CNP0111511.0 [0,1,0,0,0,0|2,0,1]=4 252 B9R0.1 C=CC(=CC=CC(=C)C)C CNP0243185.0 [0,0,1,0,0,0|3,0,0]=4 253 B9R0.7 C=C(CCC(=O)O)C(=O)O CNP0610121.0 [0,0,1,0,0,0|1,0,2]=4 254 B9R0.7 CC(=CCC(=O)O)C(=O)O CNP0023661.0 [0,0,1,0,0,0|1,0,2]=4 255 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [0,0,0,1,0,0|2,0,0]=3 256 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,0,0,0,1,0|3,0,0]=4 257 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,0,0,0,1,0|3,0,0]=4 258 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,0,0,0,1,0|3,0,0]=4 259 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [0,0,0,0,1,0|3,0,0]=4 260 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [0,0,0,0,1,0|2,0,0]=3 261 B9R1.35 CC1=CC(=NO1)C(=O)O CNP0309988.0 [0,0,0,0,1,0|3,0,0]=4 262 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [0,0,0,0,1,0|2,0,0]=3 263 B9R1.35 CC1=CN(N=C1)C(=O)O CNP0600504.0 [0,0,0,0,1,0|3,0,0]=4 264 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [0,0,0,0,1,0|2,0,0]=3 265 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [0,0,0,0,1,0|2,0,0]=3 266 B9R1.35 CC1=NC=C(N1)C(=O)O CNP0443494.0 [0,0,0,0,1,0|3,0,0]=4 267 B9R1.35 NC(=O)C1=CC(=CN1)Br CNP0149276.0 [0,0,0,0,1,0|3,0,0]=4 268 B9R1.35 NC(=O)C1=CC=C(N1)Br CNP0307809.0 [0,0,0,0,1,0|3,0,0]=4 269 B9R1.35 NC(=O)C1=CC=C(S1)Br CNP0540435.0 [0,0,0,0,1,0|3,0,0]=4 270 B9R1.35 O=C(O)C1=CC(=CN1)Br CNP0268142.0 [0,0,0,0,1,0|2,0,0]=3 271 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [0,0,0,0,1,0|1,0,0]=2 272 B9R1.35 O=C(O)C1=CC=C(N1)Br CNP0435630.0 [0,0,0,0,1,0|2,0,0]=3 273 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [0,0,0,0,1,0|1,0,0]=2 274 B9R1.35 O=C(O)C1=CNC(=O)N1 CNP0228864.0 [0,0,0,0,1,0|2,0,1]=4 275 B9R1.35 O=C1CC=C(N1)C(=O)O CNP0530811.0 [0,0,0,0,1,0|1,0,2]=4 276 B9R1.35 O=C1N=CC(=N1)C(=O)O CNP0147589.0 [0,0,0,0,1,0|2,0,1]=4 277 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,0,0,0,0,1|2,0,0]=3 278 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,0,0,0,0,1|2,0,0]=3 279 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,0,0,0,0,1|1,0,0]=2 280 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,0,0,0,0,1|1,0,1]=3 281 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,0,0,0,0,1|2,0,0]=3 282 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,0,0,0,0,1|2,0,0]=3 283 B11R1.20 CC(=O)NC1=CC=C(C=N1)Cl CNP0056612.0 [0,0,0,0,0,1|3,0,0]=4 284 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,0,0,0,0,1|2,0,0]=3 285 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,0,0,0,0,1|2,0,0]=3 286 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,0,0,0,0,1|1,0,0]=2 287 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [0,0,0,0,0,1|2,0,1]=4 288 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [0,0,0,0,0,1|2,0,1]=4 289 B11R1.20 N=C(N)NC1=CC=C(C=C1)Cl CNP0139549.0 [0,0,0,0,0,1|3,0,0]=4 290 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [0,0,0,0,0,1|1,0,0]=2 291 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [0,0,0,0,0,1|2,0,0]=3 292 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [0,0,0,0,0,1|1,0,0]=2 293 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br CNP0055788.0 [0,0,0,0,0,1|2,1,0]=4 294 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [0,0,0,0,0,1|1,0,0]=2 295 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [0,0,0,0,0,1|1,0,0]=2 296 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [0,0,0,0,0,1|0,0,0]=1 297 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [0,0,0,0,0,1|1,0,0]=2 298 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [0,0,0,0,0,1|0,0,1]=2 299 B11R1.20 O=C1C=CC(C=C1)CC(=O)O CNP0605531.0 [0,0,0,0,0,1|0,0,2]=3 300 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [1,0,1,0,0,0|0,0,2]=4 301 B8R0.28 O=C(O)C=CCC(=O)O CNP0111503.0 [1,0,1,0,0,0|1,0,1]=4 302 B8R0.8 C=C/C=C\[C@@H](N)C(=O)O CNP0232155.1 [1,0,1,0,0,0|1,0,1]=4 303 B8R0.8 C=CC=CC(N)C(=O)O CNP0232155.0 [1,0,1,0,0,0|1,0,1]=4 304 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [1,0,1,0,0,0|0,0,2]=4 305 B8R0.9 C=C(O)C=CC(=O)C=O CNP0588260.0 [1,0,1,0,0,0|1,0,0]=3 306 B8R0.9 C=C(O)C=CC(=O)C=O CNP0602025.0 [1,0,1,0,0,0|1,0,0]=3 307 B8R0.15 C=CC(=CC=O)C(=O)O CNP0182283.0 [1,0,1,0,0,0|0,0,1]=3 308 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|1,0,1]=4 309 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|1,0,0]=3 310 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [2,0,0,0,0,0|2,0,0]=4 312 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|1,0,1]=4 313 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,1]=4 317 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 318 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,1]=4 319 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|0,0,0]=2 322 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [2,0,0,0,0,0|1,0,0]=3 323 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [2,0,0,0,0,0|0,0,2]=4 324 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [2,0,0,0,0,0|1,0,0]=3 325 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|1,0,0]=3 326 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|0,0,1]=3 328 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|1,0,1]=4 329 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [2,0,0,0,0,0|1,0,1]=4 330 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|0,1,0]=3 331 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|0,1,1]=4 332 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|0,0,1]=3 333 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|1,0,1]=4 334 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [2,0,0,0,0,0|0,0,1]=3 336 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [2,0,0,0,0,0|1,0,1]=4 337 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [2,0,0,0,0,0|1,0,1]=4 338 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [2,0,0,0,0,0|1,0,1]=4 339 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [2,0,0,0,0,0|1,0,1]=4 340 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [2,0,0,0,0,0|0,0,1]=3 341 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [2,0,0,0,0,0|0,1,1]=4 342 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [2,0,0,0,0,0|1,0,1]=4 343 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [2,0,0,0,0,0|1,0,1]=4 344 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [2,0,0,0,0,0|1,0,0]=3 350 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [2,0,0,0,0,0|1,0,0]=3 351 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [2,0,0,0,0,0|0,0,1]=3 352 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [2,0,0,0,0,0|1,0,0]=3 353 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [2,0,0,0,0,0|1,0,0]=3 354 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [2,0,0,0,0,0|1,0,0]=3 355 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [2,0,0,0,0,0|0,0,0]=2 356 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [2,0,0,0,0,0|0,1,0]=3 357 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [2,0,0,0,0,0|1,0,0]=3 358 B10R0.98 CC(=O)C=CC=C(O)C(=O)O CNP0374205.0 [0,1,1,0,0,0|2,0,0]=4 359 B10R0.98 NC(=CC=CC(=O)O)C(=O)O CNP0360097.0 [0,1,1,0,0,0|2,0,0]=4 360 B10R0.13 C=C(CC(=O)O)C(=C)C(=O)O CNP0084078.0 [0,1,1,0,0,0|1,0,1]=4 361 B10R0.93 C=C(CC(=O)C(=O)O)C(=O)O CNP0158198.0 [0,1,1,0,0,0|1,0,1]=4 362 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,1,0,0,0,0|0,0,1]=3 371 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.1 N#CSC1=CC=C(C=C1)O CNP0157204.0 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.1 NC1=CC=C(C=C1)C=NO CNP0185919.0 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,1,0,0,0,0|0,0,0]=2 377 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,1,0,0,0,0|0,0,1]=3 378 B10R1.1 ON=CC1=CC=C(C=C1)Br CNP0046844.0 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.1 ON=CC1=CC=C(C=C1)Cl CNP0036786.0 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [1,1,0,0,0,0|0,0,0]=2 381 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.3 C=CC1=CC=C(C=C1)C=C CNP0540510.0 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.3 C=CC1=CC=C(C=C1)C=O CNP0512344.0 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [1,1,0,0,0,0|0,0,0]=2 392 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [1,1,0,0,0,0|0,1,0]=3 393 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [1,1,0,0,0,0|0,0,1]=3 395 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.3 N#[N+]C1=CC=C(C=C1)CO CNP0355335.0 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.3 O=CC1=CC=C(C=C1)C=O CNP0454004.0 [1,1,0,0,0,0|0,0,1]=3 398 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.25 CC1=CC(=CC=C1N=O)N CNP0033954.0 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.25 CC1=CC(=O)C=CC1=NO CNP0220999.0 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [1,1,0,0,0,0|0,0,0]=2 412 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [1,1,0,0,0,0|0,0,0]=2 417 B10R1.176 CC1=CC(=NO)C=CC1=O CNP0254335.0 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [1,1,0,0,0,0|0,0,0]=2 426 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.176 O=C1C=C(OC=C1O)CO CNP0328434.0 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [1,1,0,0,0,0|0,0,0]=2 429 B10R1.176 O=CC1=CC=C(C(=C1)Cl)Cl CNP0066778.0 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [1,1,0,0,0,0|0,0,0]=2 431 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [1,1,0,0,0,0|0,0,1]=3 432 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [1,1,0,0,0,0|0,0,1]=3 433 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,1,0,0,0,0|0,0,0]=2 450 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [1,1,0,0,0,0|0,1,0]=3 455 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.15 NNC(=O)C1=CC=CN=C1 CNP0220603.0 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.15 NNC(=O)C1=CC=NC=C1 CNP0295499.0 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [1,1,0,0,0,0|0,0,0]=2 469 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [1,1,0,0,0,0|0,0,0]=2 470 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [1,1,0,0,0,0|0,0,1]=3 472 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,1,0,0,0,0|0,0,1]=3 473 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,1,0,0,0,0|0,0,1]=3 474 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,1,0,0,0,0|0,0,2]=4 475 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,1,0,0,0,0|0,0,2]=4 476 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.28 CC(C)(O)C1=CC=CC=C1 CNP0423296.0 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 CNP0601518.0 [1,1,0,0,0,0|1,0,1]=4 480 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 CNP0364175.0 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [1,1,0,0,0,0|0,0,0]=2 490 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.61 CN1CC=CC=C1C(=O)O CNP0610846.0 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.61 CN1[CH]C=CC=C1C(=O)O CNP0498568.0 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.61 NC(=O)C1=CNC=CC1=O CNP0612033.0 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [1,1,0,0,0,0|0,0,0]=2 502 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [1,1,0,0,0,0|0,0,0]=2 504 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [1,1,0,0,0,0|0,0,0]=2 505 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [1,1,0,0,0,0|0,0,0]=2 506 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [1,1,0,0,0,0|0,0,0]=2 507 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [1,1,0,0,0,0|0,0,0]=2 508 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [1,1,0,0,0,0|0,0,1]=3 515 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [1,1,0,0,0,0|0,0,1]=3 516 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [1,1,0,0,0,0|0,0,1]=3 517 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [1,1,0,0,0,0|0,0,1]=3 518 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.113 CC1=CC(=CC=N1)C(=O)O CNP0260041.0 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [1,1,0,0,0,0|0,0,0]=2 531 B10R1.113 CC1=CC=CC(=C1)I(O)O CNP0604420.0 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.113 CN1C=CC=C(C1)C(=O)O CNP0512399.0 [1,1,0,0,0,0|1,0,1]=4 534 B10R1.113 CN1[CH]C=CC(=C1)C(=O)O CNP0480153.0 [1,1,0,0,0,0|1,0,1]=4 535 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [1,1,0,0,0,0|1,0,1]=4 536 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0212015.0 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0497456.0 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0524507.0 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0588667.0 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0337775.0 [1,1,0,0,0,0|1,0,1]=4 541 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0563691.0 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [1,1,0,0,0,0|1,0,0]=3 543 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.113 NC(=O)C1=CC=C[N+](=C1)[O-] CNP0508767.0 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.113 NC(=O)C1=CN=CC(=C1)Br CNP0596398.0 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.113 NC1=CC=CC(=C1)B(O)O CNP0479159.0 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [1,1,0,0,0,0|0,0,0]=2 550 B10R1.113 NC1=CC=CC(=C1)[N+](=O)[O-] CNP0574552.0 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.113 NC1=NC=CC(=N1)C(=O)O CNP0302261.0 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.113 N[C@@H]1C=CC=C(C1)C(=O)O CNP0312678.1 [1,1,0,0,0,0|0,0,2]=4 553 B10R1.113 N[C@H]1C=CC=C(C1)C(=O)O CNP0312678.2 [1,1,0,0,0,0|0,0,2]=4 554 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [1,1,0,0,0,0|0,0,0]=2 556 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [1,1,0,0,0,0|0,0,0]=2 557 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [1,1,0,0,0,0|0,0,0]=2 558 B10R1.113 O=C(O)C1=CC=CC(C1)[Si] CNP0180659.0 [1,1,0,0,0,0|0,0,2]=4 559 B10R1.113 O=C(O)C1=CC=C[N+](=C1)[O-] CNP0486873.0 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.14 COC(=O)C1=CC(=CN1)Br CNP0239770.0 [0,1,0,0,1,0|2,0,0]=4 562 B10R1.14 COC(=O)C1=CC(=CN1)C CNP0393568.0 [0,1,0,0,1,0|2,0,0]=4 563 B10R1.14 COC(=O)C1=CC=C(N1)Br CNP0436786.0 [0,1,0,0,1,0|2,0,0]=4 564 B10R1.14 COC(=O)C1=CCC(=N1)O CNP0539959.0 [0,1,0,0,1,0|1,0,1]=4 565 B10R1.31 CC(=O)C1=CC=C(O1)CO CNP0125876.0 [0,1,0,0,1,0|2,0,0]=4 566 B10R1.31 CC(=O)C1=CNC(=C1)CO CNP0246623.0 [0,1,0,0,1,0|2,0,0]=4 567 B10R1.31 COC1=CC=C(O1)C(=O)C CNP0311546.0 [0,1,0,0,1,0|2,0,0]=4 568 B10R1.31 O=C(O)C1=CC=C(O1)CO CNP0283460.0 [0,1,0,0,1,0|1,0,0]=3 569 B10R1.31 O=C(O)C1=COC(=C1)CO CNP0104360.0 [0,1,0,0,1,0|1,0,0]=3 570 B10R1.31 O=CC1=CC=C(N1)C(=O)O CNP0257574.0 [0,1,0,0,1,0|1,0,1]=4 571 B10R1.58 O=C(O)C1=CC(=C(N1)Br)Br CNP0157165.0 [0,1,0,0,1,0|2,0,0]=4 572 B10R1.58 O=C(O)C1=CC(=C(O1)Br)Br CNP0394723.0 [0,1,0,0,1,0|2,0,0]=4 573 B10R1.59 CC1=C(OC(=C1)O)C(=O)O CNP0509473.0 [0,1,0,0,1,0|1,0,0]=3 574 B10R1.59 CN1C=C(C=C1C(=O)O)Br CNP0127452.0 [0,1,0,0,1,0|2,0,0]=4 575 B10R1.59 O=C(O)C1=C(C=C(N1)Br)Br CNP0432593.0 [0,1,0,0,1,0|2,0,0]=4 576 B10R1.59 O=C(O)C1=C(NC(=C1)Br)Br CNP0018025.0 [0,1,0,0,1,0|2,0,0]=4 577 B10R1.194 CC1=C(C(=CO1)C(=O)O)O CNP0507263.0 [0,1,0,0,1,0|2,0,0]=4 578 B10R1.194 O=C(O)C1=C(C(=CN1)Br)Br CNP0430934.0 [0,1,0,0,1,0|2,0,0]=4 579 B10R1.194 O=C(O)C1=CSC(=C1Cl)Cl CNP0440279.0 [0,1,0,0,1,0|2,0,0]=4 580 B12R1.4 C=CC1=CC=C(C=C1)NC(=O)C CNP0097579.0 [0,1,0,0,0,1|2,0,0]=4 581 B12R1.4 C=CC1=CC=C(C=C1)OC(=O)C CNP0306868.0 [0,1,0,0,0,1|2,0,0]=4 582 B12R1.4 CC(=O)NC1=CC=C(C=C1)C#N CNP0139066.0 [0,1,0,0,0,1|2,0,0]=4 583 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O CNP0136176.0 [0,1,0,0,0,1|1,0,1]=4 584 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO CNP0307687.0 [0,1,0,0,0,1|1,0,0]=3 585 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O CNP0169665.0 [0,1,0,0,0,1|1,0,1]=4 586 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C CNP0244471.0 [0,1,0,0,0,1|2,0,0]=4 587 B12R1.4 COC1=CC=C(C=C1)C=C(C)C CNP0103064.0 [0,1,0,0,0,1|2,0,0]=4 588 B12R1.4 COC1=CC=C(C=C1)CC(=O)C CNP0229458.0 [0,1,0,0,0,1|1,0,0]=3 589 B12R1.4 COC1=CC=C(C=C1)CC(=O)N CNP0553405.0 [0,1,0,0,0,1|1,0,0]=3 590 B12R1.4 COC1=CC=C(C=C1)CC(=O)O CNP0125359.0 [0,1,0,0,0,1|0,0,0]=2 591 B12R1.4 COC1=CC=C(C=C1)NC(=O)C CNP0211997.0 [0,1,0,0,0,1|1,0,0]=3 592 B12R1.4 COC1=CC=C(C=C1)NC(=S)N CNP0409458.0 [0,1,0,0,0,1|1,1,0]=4 593 B12R1.4 COC1=CC=C(C=N1)NC(=O)C CNP0029688.0 [0,1,0,0,0,1|2,0,0]=4 594 B12R1.4 N=C(N)NC1=CC=C(C=C1)CO CNP0583861.0 [0,1,0,0,0,1|2,0,0]=4 595 B12R1.19 CC(=O)CC1=CC=C(C(=C1)O)O CNP0097636.0 [0,1,0,0,0,1|1,0,0]=3 596 B12R1.19 CC(=O)NC1=CC=C(C(=C1)Cl)C CNP0024410.0 [0,1,0,0,0,1|2,0,0]=4 597 B12R1.19 CC(=O)NC1=CC=C(C(=C1)Cl)Cl CNP0068960.0 [0,1,0,0,0,1|2,0,0]=4 598 B12R1.19 CC(=O)OC1=CC=C(C(=C1)C)O CNP0297817.0 [0,1,0,0,0,1|1,0,0]=3 599 B12R1.19 CC(=O)OC1=CC=C(C(=C1)Cl)Cl CNP0018261.0 [0,1,0,0,0,1|2,0,0]=4 600 B12R1.19 CC(=O)OC1=CC=C(C(=C1)O)O CNP0238472.0 [0,1,0,0,0,1|1,0,0]=3 601 B12R1.19 CC1=CC(=CC=C1O)CC(=O)O CNP0116223.0 [0,1,0,0,0,1|0,0,0]=2 602 B12R1.19 CC1=CC=C(C=C1C)CC(=O)O CNP0579791.0 [0,1,0,0,0,1|1,0,0]=3 603 B12R1.19 NC(=O)CC1=CC=C(C(=C1)Cl)O CNP0313048.0 [0,1,0,0,0,1|1,0,0]=3 604 B12R1.19 NC(=O)CC1=CC=C(C(=C1)O)O CNP0087042.0 [0,1,0,0,0,1|1,0,0]=3 605 B12R1.19 NC(=O)NC1=CC=C(C(=C1)Cl)Cl CNP0299483.0 [0,1,0,0,0,1|2,0,0]=4 606 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CNP0127310.0 [0,1,0,0,0,1|0,0,0]=2 607 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Cl)O CNP0326831.0 [0,1,0,0,0,1|0,0,0]=2 608 B12R1.19 O=C(O)CC1=CC=C(C(=C1)O)O CNP0276169.0 [0,1,0,0,0,1|0,0,0]=2 609 B12R1.20 CC(=O)[C@H](O)C1=CC=C(C=C1)O CNP0285683.1 [0,1,0,0,0,1|1,0,0]=3 610 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)N CNP0571554.0 [0,1,0,0,0,1|1,0,0]=3 611 B12R1.20 CC1=CC=C(C=C1)[C@@H](C)C(=O)O CNP0452903.1 [0,1,0,0,0,1|1,0,0]=3 612 B12R1.20 CC1=CC=C(C=C1)[C@H](C)C(=O)O CNP0452903.2 [0,1,0,0,0,1|1,0,0]=3 613 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.1 [0,1,0,0,0,1|0,0,0]=2 614 B12R1.20 C[C@@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.1 [0,1,0,0,0,1|1,0,1]=4 615 B12R1.20 C[C@@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.4 [0,1,0,0,0,1|1,0,1]=4 616 B12R1.20 C[C@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.2 [0,1,0,0,0,1|0,0,0]=2 617 B12R1.20 C[C@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.2 [0,1,0,0,0,1|1,0,1]=4 618 B12R1.20 C[C@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.3 [0,1,0,0,0,1|1,0,1]=4 619 B12R1.20 NC(=O)[C@H](N)C1=CC=C(C=C1)O CNP0154614.1 [0,1,0,0,0,1|1,0,0]=3 620 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O CNP0106681.1 [0,1,0,0,0,1|0,0,0]=2 621 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O CNP0106681.2 [0,1,0,0,0,1|0,0,0]=2 622 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)O CNP0148868.0 [0,1,0,0,0,1|0,0,0]=2 623 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(C=C1)O CNP0103860.2 [0,1,0,0,0,1|0,0,0]=2 624 B12R1.20 O=C(O)[C@H](O)C1=CC=C(C=C1)O CNP0103860.1 [0,1,0,0,0,1|0,0,0]=2 625 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl CNP0422933.0 [0,1,0,0,0,1|2,0,0]=4 626 B12R1.49 CCC(=O)CC1=CC=C(C=C1)O CNP0549133.0 [0,1,0,0,0,1|1,0,0]=3 627 B12R1.49 COC(=O)CC1=CC=C(C=C1)O CNP0332506.0 [0,1,0,0,0,1|0,0,0]=2 628 B12R1.49 COC(=O)CN1C=CC(=N)C=C1 CNP0442080.0 [0,1,0,0,0,1|2,0,0]=4 629 B12R1.49 COC(=O)CN1C=CC(=[N])C=C1 CNP0584765.0 [0,1,0,0,0,1|2,0,0]=4 630 B12R1.49 N=C(NO)NC1=CC=C(C=C1)Cl CNP0512446.0 [0,1,0,0,0,1|2,0,0]=4 631 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O CNP0129954.1 [0,1,0,0,0,1|1,0,1]=4 632 B12R1.49 N[C@H](C=O)CC1=CC=C(C=C1)O CNP0232449.1 [0,1,0,0,0,1|1,0,1]=4 633 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O CNP0129954.2 [0,1,0,0,0,1|1,0,1]=4 634 B12R1.49 O=NC(=O)NC1=CC=C(C=C1)O CNP0501405.0 [0,1,0,0,0,1|0,0,1]=3 635 B12R1.49 OC[C@H](O)CC1=CC=C(C=C1)O CNP0307223.1 [0,1,0,0,0,1|0,0,2]=4 636 B12R1.49 ON=C(S)CC1=CC=C(C=C1)O CNP0205375.0 [0,1,0,0,0,1|0,1,0]=3 637 B12R1.106 CC1=CC=C(C=C1)OS(=O)(=O)O CNP0393410.0 [0,1,0,0,0,1|2,0,0]=4 638 B12R1.106 CS(=O)(=O)CC1=CC=C(C=C1)O CNP0432866.0 [0,1,0,0,0,1|1,0,1]=4 639 B12R1.106 O=S(=O)(O)CC1=CC=C(C=C1)Cl CNP0165608.0 [0,1,0,0,0,1|2,0,0]=4 640 B12R1.106 O=S(=O)(O)OC1=CC=C(C=C1)O CNP0330182.0 [0,1,0,0,0,1|1,0,0]=3 641 B12R1.233 CC(=O)NC1=CC=C(C=C1C)C CNP0024058.0 [0,1,0,0,0,1|2,0,0]=4 642 B12R1.233 CC(=O)NC1=CC=C(C=C1C)Cl CNP0052006.0 [0,1,0,0,0,1|2,0,0]=4 643 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Br CNP0055151.0 [0,1,0,0,0,1|2,0,0]=4 644 B12R1.233 CC(=O)NC1=CC=C(C=C1O)C CNP0038952.0 [0,1,0,0,0,1|2,0,0]=4 645 B12R1.233 CC(=O)NC1=CC=C(C=C1O)Cl CNP0039766.0 [0,1,0,0,0,1|2,0,0]=4 646 B12R1.233 CC(=O)OC1=CC=C(C=C1Br)Br CNP0200680.0 [0,1,0,0,0,1|2,0,0]=4 647 B12R1.233 CC(=O)OC1=CC=C(C=C1C)O CNP0077014.0 [0,1,0,0,0,1|1,0,0]=3 648 B12R1.233 O=C(O)CC1=CC=C(C=C1O)O CNP0153620.0 [0,1,0,0,0,1|0,0,0]=2 649 B12R1.349 O=C1C=CC(C=C1)(O)CC(=O)O CNP0292188.0 [0,1,0,0,0,1|0,0,2]=4 650 B12R1.892 O=C1C=CC(=CC=C1O)[N+](=O)[O-] CNP0508315.0 [0,1,0,0,0,1|1,0,1]=4 651 B12R1.1021 C=C(C)C1=CC(=O)C(=CC=C1)O CNP0494305.0 [0,1,0,0,0,1|2,0,0]=4 652 B12R1.1021 CC(=O)C1=CC(=O)C(=CC=C1)O CNP0612012.0 [0,1,0,0,0,1|1,0,0]=3 653 B12R1.1021 CC(=O)C1=CC=CC(=O)C(=C1)O CNP0339263.0 [0,1,0,0,0,1|1,0,1]=4 654 B12R1.3092 CC1(C=CC=C(C=C1)C(=O)O)C CNP0151633.0 [0,1,0,0,0,1|1,0,1]=4 655 B12R1.5 C=CC1=CC=C(C=C1)C(=O)OC CNP0518292.0 [0,2,0,0,0,0|1,0,0]=3 656 B12R1.5 C=C[C@@H](O)C1=CC=C(C=C1)OC CNP0219145.2 [0,2,0,0,0,0|1,0,1]=4 657 B12R1.5 C=C[C@H](O)C1=CC=C(C=C1)OC CNP0219145.1 [0,2,0,0,0,0|1,0,1]=4 658 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC CNP0003457.0 [0,2,0,0,0,0|2,0,0]=4 659 B12R1.5 CCC(=O)C1=CC=C(C=C1)OC CNP0079982.0 [0,2,0,0,0,0|1,0,0]=3 660 B12R1.5 CC[C@@H](O)C1=CC=C(C=C1)OC CNP0566750.2 [0,2,0,0,0,0|1,0,1]=4 661 B12R1.5 CC[C@H](O)C1=CC=C(C=C1)OC CNP0566750.1 [0,2,0,0,0,0|1,0,1]=4 662 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC CNP0331902.0 [0,2,0,0,0,0|1,0,0]=3 663 B12R1.5 COC(=O)C1=CC=C(C=C1)C#N CNP0062891.0 [0,2,0,0,0,0|1,0,0]=3 664 B12R1.5 COC(=O)C1=CC=C(C=C1)C=O CNP0296512.0 [0,2,0,0,0,0|0,0,1]=3 665 B12R1.5 COC(=O)C1=CC=C(C=C1)OC CNP0223742.0 [0,2,0,0,0,0|0,0,0]=2 666 B12R1.5 COC1=CC=C(C=C1)C(=NO)C CNP0105997.0 [0,2,0,0,0,0|1,0,0]=3 667 B12R1.5 COC1=CC=C(C=C1)C(=O)C=O CNP0302922.0 [0,2,0,0,0,0|0,0,1]=3 668 B12R1.5 COC1=CC=C(C=C1)C(=O)CO CNP0302541.0 [0,2,0,0,0,0|0,0,0]=2 669 B12R1.5 COC1=CC=C(C=C1)C(=O)NN CNP0135265.0 [0,2,0,0,0,0|1,0,0]=3 670 B12R1.5 COC1=CC=C(C=C1)C(=O)NO CNP0348259.0 [0,2,0,0,0,0|0,0,0]=2 671 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CN CNP0269432.1 [0,2,0,0,0,0|1,0,1]=4 672 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CO CNP0240871.1 [0,2,0,0,0,0|0,0,2]=4 673 B12R1.5 NNC(=O)C1=CC=C(C=C1)CBr CNP0035551.0 [0,2,0,0,0,0|2,0,0]=4 674 B12R1.6 C=CC1=CC=C(C=C1)S(=O)(=O)O CNP0456092.0 [0,2,0,0,0,0|2,0,0]=4 675 B12R1.6 CC(C)(O)C1=CC=C(C=C1)CO CNP0568507.0 [0,2,0,0,0,0|1,0,1]=4 676 B12R1.6 COC1=CC=C(C=C1)C(C)(C)O CNP0083065.0 [0,2,0,0,0,0|1,0,1]=4 677 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)N CNP0046229.0 [0,2,0,0,0,0|1,0,1]=4 678 B12R1.48 CC(=O)C1=CC=C(C(=O)O1)CO CNP0139436.0 [0,2,0,0,0,0|2,0,0]=4 679 B12R1.48 COC1=CC=C(C=C1Br)C(=O)O CNP0097136.0 [0,2,0,0,0,0|0,0,0]=2 680 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)O CNP0343437.0 [0,2,0,0,0,0|0,0,0]=2 681 B12R1.48 COC1=CC=C(C=C1N)C(=O)N CNP0070991.0 [0,2,0,0,0,0|1,0,0]=3 682 B12R1.48 COC1=CC=C(C=C1O)C(=O)C CNP0215048.0 [0,2,0,0,0,0|1,0,0]=3 683 B12R1.48 COC1=CC=C(C=C1O)C(=O)N CNP0428552.0 [0,2,0,0,0,0|1,0,0]=3 684 B12R1.48 COC1=CC=C(C=C1O)C(=O)O CNP0220341.0 [0,2,0,0,0,0|0,0,0]=2 685 B12R1.48 COC1=CC=C(C=C1O)[N+](=O)[O-] CNP0599616.0 [0,2,0,0,0,0|1,0,1]=4 686 B12R1.48 COC1=COC(=CC1=O)C(=O)O CNP0349359.0 [0,2,0,0,0,0|1,0,0]=3 687 B12R1.48 O=C(O)C1=CC=C(C(=C1)O)CO CNP0123838.0 [0,2,0,0,0,0|0,0,0]=2 688 B12R1.113 CCCC1=CC=C(N=C1)C(=O)O CNP0313246.0 [0,2,0,0,0,0|2,0,0]=4 689 B12R1.113 CCNC1=CC=C(C=C1)C(=O)O CNP0104432.0 [0,2,0,0,0,0|1,0,0]=3 690 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O CNP0304369.0 [0,2,0,0,0,0|0,0,0]=2 691 B12R1.113 CCOC1=CC=C(C=N1)C(=O)O CNP0230094.0 [0,2,0,0,0,0|1,0,0]=3 692 B12R1.113 O=C(O)C1=CC=C(C=C1)CCO CNP0586767.0 [0,2,0,0,0,0|0,0,0]=2 693 B12R1.113 O=[N+]([O-])C1=CC=C(C=C1)C=NO CNP0542451.0 [0,2,0,0,0,0|1,0,1]=4 694 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)C CNP0294593.0 [0,2,0,0,0,0|1,0,1]=4 695 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)O CNP0089019.0 [0,2,0,0,0,0|0,0,1]=3 696 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CNP0419223.0 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O CNP0267334.0 [0,2,0,0,0,0|1,0,0]=3 698 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O CNP0541762.0 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O CNP0229662.0 [0,2,0,0,0,0|1,0,0]=3 700 B12R1.256 O=C(Cl)C1=CC=C(C=C1)[N+](=O)[O-] CNP0590551.0 [0,2,0,0,0,0|1,0,1]=4 701 B12R1.256 O=C(O)C1=CC=C(C=C1)B(O)O CNP0502328.0 [0,2,0,0,0,0|0,0,0]=2 702 B12R1.256 O=C(O)C1=CC=C(C=C1)C(=O)O CNP0327537.0 [0,2,0,0,0,0|0,0,0]=2 703 B12R1.256 O=C(O)C1=CC=C(C=C1)[N+](=O)[O-] CNP0490961.0 [0,2,0,0,0,0|0,0,1]=3 704 B12R1.452 CC(=O)C1=CC=C(C=C1O)CO CNP0111501.0 [0,2,0,0,0,0|1,0,0]=3 705 B12R1.452 COC1=CC=C(C(=C1)C)C(=O)O CNP0457363.0 [0,2,0,0,0,0|0,0,0]=2 706 B12R1.452 COC1=CC=C(C(=C1)C)[N+](=O)[O-] CNP0580280.0 [0,2,0,0,0,0|1,0,1]=4 707 B12R1.452 COC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0479154.0 [0,2,0,0,0,0|1,0,1]=4 708 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)C CNP0324617.0 [0,2,0,0,0,0|1,0,0]=3 709 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CNP0206095.0 [0,2,0,0,0,0|1,0,0]=3 710 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)O CNP0102420.0 [0,2,0,0,0,0|0,0,0]=2 711 B12R1.23 NC1=CC=C(C=C1N)S(=O)(=O)O CNP0444643.0 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)O CNP0208361.0 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.56 CC(=O)C1=CC=C(C(=C1)C=O)O CNP0387842.0 [0,2,0,0,0,0|1,0,0]=3 714 B12R1.56 CCC1=CC(=CC=C1O)C(=O)O CNP0121187.0 [0,2,0,0,0,0|0,0,0]=2 715 B12R1.56 COC1=CC(=CC=C1C)C(=O)C CNP0017950.0 [0,2,0,0,0,0|2,0,0]=4 716 B12R1.56 COC1=CC(=CC=C1C)C(=O)O CNP0497367.0 [0,2,0,0,0,0|1,0,0]=3 717 B12R1.56 COC1=CC(=CC=C1N)C(=O)O CNP0018066.0 [0,2,0,0,0,0|1,0,0]=3 718 B12R1.56 COC1=CC(=CC=C1O)C(=O)C CNP0219031.0 [0,2,0,0,0,0|1,0,0]=3 719 B12R1.56 COC1=CC(=CC=C1O)C(=O)N CNP0200127.0 [0,2,0,0,0,0|1,0,0]=3 720 B12R1.56 COC1=CC(=CC=C1O)C(=O)O CNP0122021.0 [0,2,0,0,0,0|0,0,0]=2 721 B12R1.56 COC1=CC(=CC=C1O)C(=O)[O-] CNP0564199.0 [0,2,0,0,0,0|0,0,1]=3 722 B12R1.56 COC1=CC(=CC=C1O)C(C)O CNP0582143.0 [0,2,0,0,0,0|1,0,1]=4 723 B12R1.56 COC1=CC(=CC=C1[O-])C(=O)O CNP0511962.0 [0,2,0,0,0,0|0,0,1]=3 724 B12R1.56 NC(=O)C1=CC=C(C(=C1)N=O)O CNP0314124.0 [0,2,0,0,0,0|1,0,0]=3 725 B12R1.56 O=NC1=CC(=CC=C1O)C(=O)O CNP0511255.0 [0,2,0,0,0,0|0,0,0]=2 726 B12R1.56 O=NC1=CC(=CC=C1[O-])C(=O)[O-] CNP0591454.0 [0,2,0,0,0,0|0,0,2]=4 727 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C CNP0579678.0 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O CNP0136455.0 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)C CNP0284124.0 [0,2,0,0,0,0|1,0,0]=3 730 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O CNP0243066.0 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.232 CC1=CC(=C(C=C1Br)C)C(=O)O CNP0462913.0 [0,2,0,0,0,0|1,0,0]=3 732 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C CNP0171746.0 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.232 CC1=CC(=C(C=C1[N+](=O)[O-])O)O CNP0541795.0 [0,2,0,0,0,0|1,0,1]=4 734 B12R1.232 NC1=CC(=C(C=C1C(=O)O)O)O CNP0323910.0 [0,2,0,0,0,0|0,0,0]=2 735 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O CNP0129962.0 [0,2,0,0,0,0|0,0,0]=2 736 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O CNP0313770.0 [0,2,0,0,0,0|1,0,0]=3 737 B12R1.367 COC(=O)C1=CC(=O)C(=CO1)O CNP0491895.0 [0,2,0,0,0,0|1,0,0]=3 738 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)Cl CNP0533621.0 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.367 COC(=O)C1=CC=C(C(=C1)N)O CNP0023118.0 [0,2,0,0,0,0|0,0,0]=2 740 B12R1.367 COC(=O)C1=CC=C(C(=C1)O)N CNP0083419.0 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.367 COC(=O)C1=CC=C(C(=C1)O)O CNP0279680.0 [0,2,0,0,0,0|0,0,0]=2 742 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C CNP0334743.0 [0,2,0,0,0,0|1,0,1]=4 743 B12R1.367 COC(=O)C1=COC(=O)C(=C1)Br CNP0152101.0 [0,2,0,0,0,0|1,0,1]=4 744 B12R1.367 N#CC(O)C1=CC=C(C(=C1)O)O CNP0085424.0 [0,2,0,0,0,0|1,0,1]=4 745 B12R1.367 NCC(=O)C1=CC=C(C(=C1)O)O CNP0133774.0 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.367 NC[C@@H](O)C1=CC=C(C(=C1)O)O CNP0214798.3 [0,2,0,0,0,0|1,0,1]=4 747 B12R1.367 NC[C@H](O)C1=CC=C(C(=C1)O)O CNP0214798.2 [0,2,0,0,0,0|1,0,1]=4 748 B12R1.367 O=C(CO)C1=CC=C(C(=C1)O)O CNP0281749.0 [0,2,0,0,0,0|0,0,0]=2 749 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O CNP0501868.0 [0,2,0,0,0,0|0,0,0]=2 750 B12R1.367 O=CC(O)C1=CC=C(C(=C1)O)O CNP0280132.0 [0,2,0,0,0,0|0,0,1]=3 751 B12R1.367 OC[C@H](O)C1=CC=C(C(=C1)O)O CNP0188951.1 [0,2,0,0,0,0|0,0,2]=4 752 B12R1.893 CC(=O)C1=CC=C(C(=C1C)C)C CNP0584174.0 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.893 CC(=O)C1=CC=C(C(=C1O)C)O CNP0289312.0 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.893 CC(=O)C1=CC=C(C(=C1O)O)O CNP0213966.0 [0,2,0,0,0,0|1,0,0]=3 755 B12R1.893 CC1=C(C=CC(=C1O)O)C(=O)O CNP0481433.0 [0,2,0,0,0,0|0,0,0]=2 756 B12R1.893 CC1=C(C=CC(=C1O)[N+](=O)[O-])O CNP0487415.0 [0,2,0,0,0,0|1,0,1]=4 757 B12R1.893 CC1=CC=C(C(=C1C)C)C(=O)O CNP0133340.0 [0,2,0,0,0,0|1,0,0]=3 758 B12R1.893 CC1=CC=C(C(=C1O)N)C(=O)O CNP0239974.0 [0,2,0,0,0,0|1,0,0]=3 759 B12R1.893 NC1=C(C=CC(=C1O)Cl)C(=O)O CNP0571729.0 [0,2,0,0,0,0|1,0,0]=3 760 B12R1.893 O=C(O)C1=C(C(=O)C(=CO1)O)O CNP0274161.0 [0,2,0,0,0,0|1,0,0]=3 761 B12R1.893 O=C(O)C1=CC=C(C(=C1O)O)O CNP0165116.0 [0,2,0,0,0,0|0,0,0]=2 762 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)C)O)C CNP0169307.0 [0,2,0,0,0,0|1,0,0]=3 763 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)O)O)O CNP0139788.0 [0,2,0,0,0,0|1,0,0]=3 764 B12R1.1005 CC1=C(C=C(C=C1O)C(=O)O)O CNP0453501.0 [0,2,0,0,0,0|1,0,0]=3 765 B12R1.1005 CC1=CC(=CC(=C1O)C)C(=O)O CNP0192461.0 [0,2,0,0,0,0|0,0,0]=2 766 B12R1.1005 NC(=O)C1=CC(=C(C(=C1)O)O)O CNP0198006.0 [0,2,0,0,0,0|1,0,0]=3 767 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Br)O)Br CNP0425607.0 [0,2,0,0,0,0|0,0,0]=2 768 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Br)O)O CNP0081695.0 [0,2,0,0,0,0|0,0,0]=2 769 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Cl)O)Cl CNP0185897.0 [0,2,0,0,0,0|0,0,0]=2 770 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)O)O CNP0133244.0 [0,2,0,0,0,0|0,0,0]=2 771 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)[O-])[O-] CNP0576349.0 [0,2,0,0,0,0|0,0,1]=3 772 B12R1.12 CO[C@@H](CO)C1=CC=C(C=C1)O CNP0260815.2 [0,2,0,0,0,0|0,0,2]=4 773 B12R1.12 CO[C@H](CO)C1=CC=C(C=C1)O CNP0260815.1 [0,2,0,0,0,0|0,0,2]=4 774 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O CNP0055892.0 [0,2,0,0,0,0|1,0,0]=3 775 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C CNP0077252.0 [0,2,0,0,0,0|1,0,0]=3 776 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N CNP0225761.0 [0,2,0,0,0,0|1,0,0]=3 777 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O CNP0179290.0 [0,2,0,0,0,0|0,0,0]=2 778 B12R1.16 CNC[C@@H](O)C1=CC=C(C=C1)O CNP0214406.2 [0,2,0,0,0,0|1,0,1]=4 779 B12R1.16 CNC[C@H](O)C1=CC=C(C=C1)O CNP0214406.1 [0,2,0,0,0,0|1,0,1]=4 780 B12R1.16 COCC(=O)C1=CC=C(C=C1)O CNP0289032.0 [0,2,0,0,0,0|0,0,0]=2 781 B12R1.16 COC[C@H](O)C1=CC=C(C=C1)O CNP0538036.1 [0,2,0,0,0,0|0,0,2]=4 782 B12R1.16 O=C(C=NO)C1=CC=C(C=C1)O CNP0168416.0 [0,2,0,0,0,0|0,0,0]=2 783 B12R1.16 O=C(CCO)C1=CC=C(C=C1)O CNP0268127.0 [0,2,0,0,0,0|0,0,0]=2 784 B12R1.16 O=CNC(=O)C1=CC=C(C=C1)O CNP0113478.0 [0,2,0,0,0,0|0,0,1]=3 785 B12R1.16 OCCC(O)C1=CC=C(C=C1)O CNP0181987.0 [0,2,0,0,0,0|0,0,2]=4 786 B12R1.16 [2H]C1=CC=C(C=C1)C(=O)OCC CNP0538660.0 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.1703 C=C(CO)C1=CC=C(C=C1O)C CNP0106917.0 [0,2,0,0,0,0|2,0,0]=4 788 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)C CNP0366379.0 [0,2,0,0,0,0|2,0,0]=4 789 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)O CNP0203065.0 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.1703 CCC(=O)C1=CC=C(C=C1C)C CNP0099963.0 [0,2,0,0,0,0|2,0,0]=4 791 B12R1.1703 COC(=O)C1=CC=C(C=C1C)O CNP0298795.0 [0,2,0,0,0,0|0,0,0]=2 792 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Cl CNP0168201.0 [0,2,0,0,0,0|1,0,0]=3 793 B12R1.1703 COC(=O)C1=CC=C(C=C1O)N CNP0026548.0 [0,2,0,0,0,0|1,0,0]=3 794 B12R1.1703 COC(=O)C1=CC=C(C=C1O)O CNP0316033.0 [0,2,0,0,0,0|0,0,0]=2 795 B12R1.1703 NNC(=O)C1=CC=C(C=C1Cl)Cl CNP0071041.0 [0,2,0,0,0,0|2,0,0]=4 796 B12R1.1703 O=C(CCl)C1=CC=C(C=C1O)O CNP0037880.0 [0,2,0,0,0,0|1,0,0]=3 797 B12R1.3435 COC(=O)C1(C=CC(=O)C=C1)O CNP0590041.0 [0,2,0,0,0,0|0,0,2]=4 798 B12R1.57 COC1=CC(=CC=C1C(=O)C)C CNP0305290.0 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.57 COC1=CC(=CC=C1C(=O)C)O CNP0146399.0 [0,2,0,0,0,0|1,0,0]=3 800 B12R1.57 COC1=CC(=CC=C1C(=O)O)O CNP0174648.0 [0,2,0,0,0,0|0,0,0]=2 801 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)O CNP0488335.0 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)C CNP0142841.0 [0,2,0,0,0,0|1,0,0]=3 803 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O CNP0255105.0 [0,2,0,0,0,0|1,0,0]=3 804 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)Cl)C CNP0037744.0 [0,2,0,0,0,0|2,0,0]=4 805 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)O)C CNP0444261.0 [0,2,0,0,0,0|1,0,0]=3 806 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O CNP0244321.0 [0,2,0,0,0,0|1,0,0]=3 807 B12R1.1000 CC1=CC(=C(C(=N1)C)C(=O)O)C CNP0551550.0 [0,2,0,0,0,0|2,0,0]=4 808 B12R1.1000 CC1=CC(=C(C(=N1)N)C(=O)O)C CNP0236536.0 [0,2,0,0,0,0|2,0,0]=4 809 B12R1.1000 CC1=CC(=CC(=C1C(=O)O)O)O CNP0194999.0 [0,2,0,0,0,0|0,0,0]=2 810 B12R1.1000 CC1=CC(=O)OC(=C1C(=O)O)C CNP0133346.0 [0,2,0,0,0,0|1,0,1]=4 811 B12R1.1000 O=C(O)C1=C(C=C(C=C1O)O)O CNP0288966.0 [0,2,0,0,0,0|0,0,0]=2 812 B10R1.54 O=C(O)C=C1C=CC(=O)O1 CNP0438543.0 [0,0,1,1,0,0|1,0,1]=4 813 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|1,0,1]=4 814 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|1,0,1]=4 815 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|1,0,0]=3 816 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|1,0,1]=4 817 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|1,0,1]=4 818 B12R2.79 C[C@H]1O[C@@H]1C2=CC=C(C=C2)O CNP0275134.1 [0,0,0,1,0,1|1,0,1]=4 819 B12R2.606 N=C1NC2=CC=C(C=C2N1)O CNP0547413.0 [0,0,0,1,0,1|2,0,0]=4 820 B12R2.606 O=C1CC2=CC(=CC=C2N1)Br CNP0029487.0 [0,0,0,1,0,1|2,0,0]=4 821 B12R2.606 O=C1CC2=CC(=CC=C2N1)Cl CNP0609117.0 [0,0,0,1,0,1|2,0,0]=4 822 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CNP0080133.0 [0,0,0,1,0,1|1,0,0]=3 823 B12R2.606 O=C1CC2=CC(=CC=C2O1)O CNP0197068.0 [0,0,0,1,0,1|1,0,0]=3 824 B12R2.606 O=C1CC2=CC=C(C=C2N1)Br CNP0170267.0 [0,0,0,1,0,1|2,0,0]=4 825 B12R2.606 O=C1CC2=CC=C(C=C2N1)O CNP0215355.0 [0,0,0,1,0,1|1,0,0]=3 826 B12R2.606 O=C1CC2=CC=C(C=C2O1)O CNP0517521.0 [0,0,0,1,0,1|0,0,0]=2 827 B12R2.606 O=C1NC2=CC(=CC=C2O1)Cl CNP0486668.0 [0,0,0,1,0,1|2,0,0]=4 828 B12R2.606 O=C1NC2=CC=C(C=C2O1)O CNP0377919.0 [0,0,0,1,0,1|0,0,0]=2 829 B12R2.606 O=C1NC2=CC=C(C=C2S1)O CNP0192870.0 [0,0,0,1,0,1|0,1,0]=3 830 B12R2.606 O=C1OC2=CC(=CC=C2S1)O CNP0374905.0 [0,0,0,1,0,1|0,0,0]=2 831 B12R2.606 OC1=CC=C2NC(=CC2=C1)O CNP0292533.0 [0,0,0,1,0,1|1,0,0]=3 832 B12R2.606 OC1=NC2=CC(=CC=C2O1)Cl CNP0199487.0 [0,0,0,1,0,1|2,0,0]=4 833 B12R2.2107 COC1=CC=C2C(=C1)C[C@@H]2O CNP0048694.1 [0,1,0,1,0,0|1,0,1]=4 834 B12R2.2107 COC1=CC=C2C(=C1)C[C@H]2O CNP0048694.2 [0,1,0,1,0,0|1,0,1]=4 835 B12R2.2107 COC1=CC=C2C(=O)CC2=C1 CNP0182366.0 [0,1,0,1,0,0|1,0,0]=3 836 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,1,0,1,0,0|2,0,0]=4 837 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 CNP0525702.0 [0,1,0,1,0,0|1,0,0]=3 838 B12R2.612 O=C1CCC2=CC(=CC=C12)O CNP0499088.0 [0,1,0,1,0,0|1,0,0]=3 839 B12R2.612 O=C1COC2=CC(=CC=C12)O CNP0333641.0 [0,1,0,1,0,0|0,0,0]=2 840 B12R2.612 O=C1NOC2=CC(=CC=C12)O CNP0499269.0 [0,1,0,1,0,0|0,0,0]=2 841 B12R2.612 OC1=CC=C2C(=NOC2=C1)O CNP0334574.0 [0,1,0,1,0,0|0,0,1]=3 842 B12R2.3028 CC1=CC(=C2C(=O)CC2=C1)C CNP0342183.0 [0,1,0,1,0,0|2,0,0]=4 843 B8R0.23 C=C(CC(=O)O)C(=O)O CNP0269442.0 [0,0,1,0,1,0|1,0,1]=4 844 B8R0.23 CC(=CC(=O)O)C(=O)O CNP0236669.0 [0,0,1,0,1,0|1,0,1]=4 845 B8R0.23 O=C(O)C=C(O)C(=O)O CNP0279115.0 [0,0,1,0,1,0|2,0,0]=4 846 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [1,0,0,0,1,0|2,0,0]=4 847 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [1,0,0,0,1,0|2,0,0]=4 848 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [1,0,0,0,1,0|2,0,0]=4 849 B8R1.1 O=CC1=CC=C(O1)O CNP0326852.0 [1,0,0,0,1,0|1,0,0]=3 850 B8R1.1 O=NC1=CC=C(N1)O CNP0611370.0 [1,0,0,0,1,0|2,0,0]=4 851 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [1,0,0,0,1,0|2,0,0]=4 852 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [1,0,0,0,1,0|2,0,0]=4 853 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [1,0,0,0,1,0|2,0,0]=4 854 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [1,0,0,0,1,0|2,0,0]=4 855 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [1,0,0,0,1,0|2,0,0]=4 856 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [1,0,0,0,1,0|2,0,0]=4 857 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [1,0,0,0,1,0|2,0,0]=4 858 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [1,0,0,0,1,0|2,0,0]=4 859 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [1,0,0,0,1,0|2,0,0]=4 860 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [1,0,0,0,1,0|1,0,0]=3 861 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [1,0,0,0,1,0|1,0,0]=3 862 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [1,0,0,0,1,0|2,0,0]=4 863 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [1,0,0,0,1,0|1,0,0]=3 864 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [1,0,0,0,1,0|2,0,0]=4 865 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [1,0,0,0,1,0|1,0,0]=3 866 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [1,0,0,0,1,0|2,0,0]=4 867 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [1,0,0,0,1,0|1,0,0]=3 868 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [1,0,0,0,1,0|2,0,0]=4 869 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [1,0,0,0,1,0|2,0,0]=4 870 B10R0.96 O=C(O)C=CC(=O)CC(=O)O CNP0360096.0 [0,0,1,0,0,1|2,0,0]=4 871 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [1,0,0,0,0,1|2,0,0]=4 872 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,0,0,0,0,1|2,0,0]=4 873 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,0,0,0,0,1|2,0,0]=4 874 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,0,0,0,0,1|2,0,0]=4 875 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,0,0,0,0,1|1,0,0]=3 876 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,0,0,0,0,1|1,0,0]=3 877 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,0,0,0,0,1|1,0,0]=3 878 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [1,0,0,0,0,1|2,0,0]=4 879 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,0,0,0,0,1|1,1,0]=4 880 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,0,0,0,0,1|2,0,0]=4 881 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [1,0,0,0,0,1|1,1,0]=4 882 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,0,0,0,0,1|1,0,0]=3 883 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [1,0,0,0,0,1|2,0,0]=4 884 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [1,0,0,0,0,1|1,0,0]=3 885 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [1,0,0,0,0,1|1,1,0]=4 886 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,0,0,0,0,1|1,0,0]=3 887 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,0,0,0,0,1|1,0,0]=3 888 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,0,0,0,0,1|0,0,0]=2 889 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [1,0,0,0,0,1|1,0,0]=3 890 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,0,0,0,0,1|1,0,0]=3 891 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [0,0,0,0,0,2|1,0,0]=3 892 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,0,0,0,0,2|2,0,0]=4 893 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [0,0,0,0,0,2|1,0,0]=3 894 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [0,0,0,0,0,2|1,0,0]=3 895 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [0,0,0,0,0,2|2,0,0]=4 896 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [0,0,0,0,0,2|1,0,0]=3 897 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [0,0,0,0,0,2|1,0,0]=3 898 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [0,0,0,0,0,2|1,0,1]=4 899 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [0,0,0,0,0,2|1,0,1]=4 900 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [0,0,0,0,0,2|2,0,0]=4 901 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [0,0,0,0,0,2|1,0,0]=3 902 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [0,0,0,0,0,2|1,0,0]=3 903 B12R1.21 NC(=O)N=NC1=CC=C(C=C1)O CNP0318057.0 [0,0,0,0,0,2|1,0,0]=3 904 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [0,0,0,0,0,2|1,0,0]=3 905 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [0,0,0,0,0,2|1,0,0]=3 906 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [0,0,0,0,0,2|1,0,0]=3 907 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [0,0,0,0,0,2|1,0,0]=3 908 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [0,0,0,0,0,2|0,0,0]=2 909 B12R1.21 O=C(O)C=CC1C=CC(=CC1)O CNP0583876.0 [0,0,0,0,0,2|0,0,2]=4 910 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [0,0,0,0,0,2|0,0,0]=2 911 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [0,0,0,0,0,2|0,0,0]=2 912 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br CNP0468193.0 [0,0,0,0,0,2|1,0,0]=3 913 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [0,0,0,0,0,2|1,0,0]=3 914 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [0,0,0,0,0,2|0,0,0]=2 915 B12R1.21 O=[N+]([O-])C=CC1=CC=C(C=C1)O CNP0507113.0 [0,0,0,0,0,2|1,0,1]=4 916 B12R1.21 O=[N+]([O-])CCC1=CC=C(C=C1)O CNP0559272.0 [0,0,0,0,0,2|1,0,1]=4